| 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 | 38.6 | Very low | 45.1 | Very low | 238 Ų | 238 | 142 Ų | 142 | 100% | 1.172 | 76% | 0.759 | S | S | * | * | 0 | 109.9 | 0 | -71.2 | -175.7 | -86.6 | 0 | 0 | 105.7 | E3 | M1-E3 PolarHBondContact O-N 3.34Š| |||
| 2 | A | 37.9 | Very low | 47.4 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -69.2 | 118.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | E4 | A2-E4 PolarHBondContact O-N 3.39Å; A2-E4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | E | 41.1 | Very low | 49.7 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -57.7 | 114.6 | 170.9 | -75.5 | 179.6 | 156.8 | 0 | 0 | 107 | M1 I5 | M1-E3 PolarHBondContact O-N 3.34Å; E3-I5 PolarHBondContact O-N 3.33Å; E3-I5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | E | 35.9 | Very low | 51.9 | Low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | trans | -53.1 | 123.3 | 171.3 | -98.1 | -179.6 | 153.9 | 0 | 0 | 107.7 | A2 I6 | A2-E4 PolarHBondContact O-N 3.39Å; A2-E4 VanDerWaalsContact O-N 3.08Å; E4-I6 PolarHBondContact O-N 3.38Å | ||
| 5 | I | 40.4 | Very low | 54 | Low | 155 Ų | 155 | 123.7 Ų | 123.7 | 80% | 0.795 | 70% | 0.695 | S | S | * | * | trans | -67.2 | 89.6 | 172.1 | -59.1 | 172.8 | 0 | 0 | 0 | 105.8 | E3 T7 | E3-I5 PolarHBondContact O-N 3.33Å; E3-I5 VanDerWaalsContact O-N 3.16Å; I5-T7 VanDerWaalsContact C-N 3.31Å; I5-T7 PolarHBondContact O-N 2.91Å | ||
| 6 | I | 42.9 | Very low | 55.9 | Low | 146 Ų | 146 | 118.1 Ų | 118.1 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | trans | -62.8 | 101.5 | 170.6 | -60.5 | 176.2 | 0 | 0 | 0 | 105.2 | E4 P8 | E4-I6 PolarHBondContact O-N 3.38Å; I6-P8 VanDerWaalsContact O-CD 3.3Å; I6-P8 WeakPolarHBondContact O-CD 3.47Å | ||
| 7 | T | 40.6 | Very low | 57.5 | Low | 108 Ų | 108 | 117.1 Ų | 117.1 | 66% | 0.663 | 66% | 0.657 | S | S | * | * | trans | -65.9 | 118.9 | 176.9 | -51.6 | 0 | 0 | 0 | 0 | 106.5 | I5 V9 | I5-T7 VanDerWaalsContact C-N 3.31Å; I5-T7 PolarHBondContact O-N 2.91Å; T7-V9 PolarHBondContact O-N 3.5Å; T7-V9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | P | 47.1 | Very low | 58.9 | Low | 72 Ų | 72 | 114 Ų | 114 | 47% | 0.468 | 64% | 0.641 | S | S | . | * | trans | -61.3 | 122.7 | -177.8 | -19.2 | 30.6 | 0 | 0 | 0 | 109.1 | I6 Y10 | I6-P8 VanDerWaalsContact O-CD 3.3Å; I6-P8 WeakPolarHBondContact O-CD 3.47Å; P8-Y10 HydrophobicContact CB-CE1 4.17Å; P8-Y10 HydrophobicContact CB-CE2 4.03Å; P8-Y10 WeakPolarHBondContact O-CD2 3.31Å; P8-Y10 WeakPolarHBondContact O-CE2 3.4Å; P8-Y10 PolarHBondContact O-N 3.29Å | ||
| 9 | V | 52 | Low | 60.4 | Low | 145 Ų | 145 | 114.1 Ų | 114.1 | 88% | 0.879 | 64% | 0.636 | S | S | * | * | trans | -76.6 | 105 | 170.9 | -178.3 | 0 | 0 | 0 | 0 | 106.9 | T7 | T7-V9 PolarHBondContact O-N 3.5Å; T7-V9 VanDerWaalsContact O-N 3.14Å | ||
| 10 | Y | 56.5 | Low | 61.7 | Low | 176 Ų | 176 | 113 Ų | 113 | 69% | 0.69 | 62% | 0.624 | S | S | * | * | trans | -78.3 | 135.3 | 177.8 | -60.9 | -80.6 | 0 | 0 | 0 | 110.3 | P8 | P8-Y10 HydrophobicContact CB-CE1 4.17Å; P8-Y10 HydrophobicContact CB-CE2 4.03Å; P8-Y10 WeakPolarHBondContact O-CD2 3.31Å; P8-Y10 WeakPolarHBondContact O-CE2 3.4Å; P8-Y10 PolarHBondContact O-N 3.29Å | ||
| 11 | C | 63.8 | Low | 62.8 | Low | 59 Ų | 59 | 112.1 Ų | 112.1 | 40% | 0.399 | 62% | 0.616 | S | S | . | * | trans | -62.7 | 137.1 | 170.2 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | A16 Q19 | C11-A16 HydrophobicContact CB-CB 4.11Å; C11-A16 WeakPolarHBondContact O-CB 3.17Å; C11-Q19 PolarHBondContact SG-OE1 3.18Å | ||
| 12 | T | 71.9 | Confident | 65.2 | Low | 109 Ų | 109 | 108.9 Ų | 108.9 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | trans | -129.4 | 152.2 | 177.9 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | S15 | T12-S15 PolarHBondContact O-OG 3.07Š| ||
| 13 | G | 77.8 | Confident | 67.7 | Low | 55 Ų | 55 | 105.3 Ų | 105.3 | 57% | 0.567 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.9 | -134.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S15 A16 Q17 | G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.28Å; G13-A16 WeakPolarHBondContact O-CB 3.49Å; G13-A16 PolarHBondContact O-N 3.06Å; G13-Q17 PolarHBondContact O-N 3.45Å |
| 14 | V | 80.2 | Confident | 70 | Confident | 67 Ų | 67 | 99 Ų | 99 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | -175 | -180 | 0 | 0 | 0 | 0 | 112.2 | A16 Q17 V18 L658 | V14-A16 VanDerWaalsContact C-N 3.33Å; V14-A16 PolarHBondContact O-N 3.26Å; V14-Q17 WeakPolarHBondContact O-CB 3.44Å; V14-Q17 PolarHBondContact O-N 2.96Å; V14-V18 HydrophobicContact CG1-CG2 4.42Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 3.36Å; V14-L658 HydrophobicContact CG2-CD1 4.25Å; V14-L658 HydrophobicContact CG2-CD2 3.79Å |
| 15 | S | 83.8 | Confident | 72.4 | Confident | 63 Ų | 63 | 96.8 Ų | 96.8 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 178.4 | 60.4 | 0 | 0 | 0 | 0 | 112 | T12 G13 Q17 V18 Q19 | T12-S15 PolarHBondContact O-OG 3.07Å; G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.28Å; S15-Q17 VanDerWaalsContact C-N 3.33Å; S15-Q17 PolarHBondContact O-N 2.88Å; S15-V18 PolarHBondContact O-N 3.46Å; S15-Q19 PolarHBondContact O-N 2.81Å |
| 16 | A | 83.9 | Confident | 74.9 | Confident | 33 Ų | 33 | 96.8 Ų | 96.8 | 27% | 0.273 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C11 G13 V14 Q19 K20 | C11-A16 HydrophobicContact CB-CB 4.11Å; C11-A16 WeakPolarHBondContact O-CB 3.17Å; G13-A16 WeakPolarHBondContact O-CB 3.49Å; G13-A16 PolarHBondContact O-N 3.06Å; V14-A16 VanDerWaalsContact C-N 3.33Å; V14-A16 PolarHBondContact O-N 3.26Å; A16-Q19 PolarHBondContact O-N 3.26Å; A16-K20 WeakPolarHBondContact O-CB 3.36Å; A16-K20 PolarHBondContact O-N 3.49Å |
| 17 | Q | 82.5 | Confident | 77.2 | Confident | 101 Ų | 101 | 90.1 Ų | 90.1 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 176.8 | -66 | -178.9 | -5.4 | 0 | 0 | 112.2 | G13 V14 S15 K20 Q21 K654 | G13-Q17 PolarHBondContact O-N 3.45Å; V14-Q17 WeakPolarHBondContact O-CB 3.44Å; V14-Q17 PolarHBondContact O-N 2.96Å; S15-Q17 VanDerWaalsContact C-N 3.33Å; S15-Q17 PolarHBondContact O-N 2.88Å; Q17-K20 PolarHBondContact O-N 2.85Å; Q17-Q21 WeakPolarHBondContact O-CB 3.47Å; Q17-Q21 PolarHBondContact O-N 3.24Å; Q17-K654 VanDerWaalsContact OE1-CE 3.25Å; Q17-K654 VanDerWaalsContact OE1-NZ 3.1Å |
| 18 | V | 84.4 | Confident | 79.8 | Confident | 62 Ų | 62 | 87.5 Ų | 87.5 | 38% | 0.376 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 176.6 | 173 | 0 | 0 | 0 | 0 | 110.6 | V14 S15 Q21 R22 | V14-V18 HydrophobicContact CG1-CG2 4.42Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 3.36Å; S15-V18 PolarHBondContact O-N 3.46Å; V18-Q21 PolarHBondContact O-N 3Å; V18-R22 WeakPolarHBondContact O-CG 3.32Å; V18-R22 PolarHBondContact O-N 3.01Å |
| 19 | Q | 87.4 | Confident | 82 | Confident | 116 Ų | 116 | 84.3 Ų | 84.3 | 54% | 0.542 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.3 | -172 | -179.4 | 26.7 | 0 | 0 | 111.7 | C11 S15 A16 Q21 R22 A23 | C11-Q19 PolarHBondContact SG-OE1 3.18Å; S15-Q19 PolarHBondContact O-N 2.81Å; A16-Q19 PolarHBondContact O-N 3.26Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.84Å; Q19-R22 PolarHBondContact O-N 2.82Å; Q19-A23 WeakPolarHBondContact O-CB 3.39Å; Q19-A23 PolarHBondContact O-N 3.13Å |
| 20 | K | 85.7 | Confident | 83.9 | Confident | 92 Ų | 92 | 84.4 Ų | 84.4 | 40% | 0.4 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 175.9 | -171.1 | -172.4 | 178.1 | -163.5 | 0 | 111.1 | A16 Q17 R22 A23 K24 E158 | A16-K20 WeakPolarHBondContact O-CB 3.36Å; A16-K20 PolarHBondContact O-N 3.49Å; Q17-K20 PolarHBondContact O-N 2.85Å; K20-R22 PolarHBondContact O-N 3Å; K20-A23 PolarHBondContact O-N 2.99Å; K20-K24 PolarHBondContact O-N 2.94Å; K20-E158 IonicContact NZ-OE1 2.68Å; K20-E158 PolarHBondContact NZ-OE1 3.31Å; K20-E158 IonicContact NZ-OE2 2.68Å; K20-E158 PolarHBondContact NZ-OE2 3.04Å |
| 21 | Q | 85.3 | Confident | 85.6 | Confident | 95 Ų | 95 | 78.4 Ų | 78.4 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 179.3 | -175.4 | 61.7 | 28.2 | 0 | 0 | 111.7 | Q17 V18 Q19 A23 K24 E25 | Q17-Q21 WeakPolarHBondContact O-CB 3.47Å; Q17-Q21 PolarHBondContact O-N 3.24Å; V18-Q21 PolarHBondContact O-N 3Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.84Å; Q21-A23 VanDerWaalsContact C-N 3.34Å; Q21-A23 PolarHBondContact O-N 3.03Å; Q21-K24 WeakPolarHBondContact O-CB 3.44Å; Q21-K24 PolarHBondContact O-N 3.44Å; Q21-E25 PolarHBondContact NE2-OE1 3.35Å; Q21-E25 PolarHBondContact O-N 2.87Å |
| 22 | R | 89 | Confident | 86.9 | Confident | 169 Ų | 169 | 83.3 Ų | 83.3 | 64% | 0.638 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 175.7 | -71.4 | 178.5 | 176.8 | -179.5 | -1.5 | 112.3 | V18 Q19 K20 K24 E25 L26 | V18-R22 WeakPolarHBondContact O-CG 3.32Å; V18-R22 PolarHBondContact O-N 3.01Å; Q19-R22 PolarHBondContact O-N 2.82Å; K20-R22 PolarHBondContact O-N 3Å; R22-K24 VanDerWaalsContact C-N 3.31Å; R22-K24 PolarHBondContact O-N 2.97Å; R22-E25 PolarHBondContact O-N 3.18Å; R22-L26 WeakPolarHBondContact O-CG 3.48Å; R22-L26 PolarHBondContact O-N 3.18Å; R22-L26 VanDerWaalsContact O-N 3.15Å |
| 23 | A | 89.9 | Confident | 88 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 23% | 0.231 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q19 K20 Q21 L26 G27 L28 | Q19-A23 WeakPolarHBondContact O-CB 3.39Å; Q19-A23 PolarHBondContact O-N 3.13Å; K20-A23 PolarHBondContact O-N 2.99Å; Q21-A23 VanDerWaalsContact C-N 3.34Å; Q21-A23 PolarHBondContact O-N 3.03Å; A23-L26 CarbonylContact O-C 3.58Å; A23-L26 PolarHBondContact O-N 3.01Å; A23-G27 PolarHBondContact O-N 3.27Å; A23-L28 HydrophobicContact CB-CB 4.12Å; A23-L28 HydrophobicContact CB-CD2 3.68Å; A23-L28 WeakPolarHBondContact O-CB 3.35Å; A23-L28 PolarHBondContact O-N 2.87Å |
| 24 | K | 88.3 | Confident | 88.9 | Confident | 50 Ų | 50 | 79.9 Ų | 79.9 | 22% | 0.217 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 175.6 | -167.3 | -179.9 | -173.3 | -176.1 | 0 | 112.1 | K20 Q21 R22 L26 G27 E372 | K20-K24 PolarHBondContact O-N 2.94Å; Q21-K24 WeakPolarHBondContact O-CB 3.44Å; Q21-K24 PolarHBondContact O-N 3.44Å; R22-K24 VanDerWaalsContact C-N 3.31Å; R22-K24 PolarHBondContact O-N 2.97Å; K24-L26 PolarHBondContact O-N 3.44Å; K24-G27 WeakPolarHBondContact O-CA 3.38Å; K24-G27 PolarHBondContact O-N 2.79Å; K24-E372 IonicContact NZ-OE1 2.66Å; K24-E372 PolarHBondContact NZ-OE1 3.24Å |
| 25 | E | 88 | Confident | 89.7 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 62% | 0.617 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.8 | -33.1 | 174 | -72.7 | 163.2 | -168.3 | 0 | 0 | 112.2 | Q21 R22 G27 | Q21-E25 PolarHBondContact NE2-OE1 3.35Å; Q21-E25 PolarHBondContact O-N 2.87Å; R22-E25 PolarHBondContact O-N 3.18Å; E25-G27 PolarHBondContact O-N 2.8Å |
| 26 | L | 91.5 | Very high | 90.3 | Very high | 154 Ų | 154 | 80.1 Ų | 80.1 | 81% | 0.806 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 5.6 | 171.7 | -64.7 | 173.4 | 0 | 0 | 0 | 113.9 | R22 A23 K24 | R22-L26 WeakPolarHBondContact O-CG 3.48Å; R22-L26 PolarHBondContact O-N 3.18Å; R22-L26 VanDerWaalsContact O-N 3.15Å; A23-L26 CarbonylContact O-C 3.58Å; A23-L26 PolarHBondContact O-N 3.01Å; K24-L26 PolarHBondContact O-N 3.44Å |
| 27 | G | 92.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 79.9 Ų | 79.9 | 6% | 0.062 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 4.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A23 K24 E25 G29 R30 | A23-G27 PolarHBondContact O-N 3.27Å; K24-G27 WeakPolarHBondContact O-CA 3.38Å; K24-G27 PolarHBondContact O-N 2.79Å; E25-G27 PolarHBondContact O-N 2.8Å; G27-G29 PolarHBondContact O-N 3.2Å; G27-R30 WeakPolarHBondContact O-CB 3.34Å; G27-R30 WeakPolarHBondContact O-CG 3.33Å; G27-R30 PolarHBondContact O-N 2.97Å; G27-R30 VanDerWaalsContact O-N 3.15Å |
| 28 | L | 93.6 | Very high | 91.6 | Very high | 53 Ų | 53 | 80.1 Ų | 80.1 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 133.5 | 171.5 | -176.3 | 68.4 | 0 | 0 | 0 | 110.1 | A23 I35 | A23-L28 HydrophobicContact CB-CB 4.12Å; A23-L28 HydrophobicContact CB-CD2 3.68Å; A23-L28 WeakPolarHBondContact O-CB 3.35Å; A23-L28 PolarHBondContact O-N 2.87Å; L28-I35 HydrophobicContact CD1-CG1 4.08Å; L28-I35 HydrophobicContact CD2-CG1 4.27Å; L28-I35 HydrophobicContact CG-CG1 3.81Å |
| 29 | G | 93.2 | Very high | 92 | Very high | 6 Ų | 6 | 80.2 Ų | 80.2 | 6% | 0.062 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -0.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G27 N33 E158 W159 | G27-G29 PolarHBondContact O-N 3.2Å; G29-N33 PolarHBondContact N-O 2.88Å; G29-E158 CarbonylContact O-C 3.57Å; G29-E158 WeakPolarHBondContact O-CA 3.49Å; G29-W159 PolarHBondContact O-N 2.89Å |
| 30 | R | 92.6 | Very high | 92.5 | Very high | 147 Ų | 147 | 76 Ų | 76 | 56% | 0.555 | 38% | 0.375 | S | S | * | . | B | Isolated β-bridge | trans | -73.9 | 158.1 | 161 | -64.9 | -179.2 | -178.3 | -175.7 | 2.7 | 109.6 | G27 E32 N33 A34 | G27-R30 WeakPolarHBondContact O-CB 3.34Å; G27-R30 WeakPolarHBondContact O-CG 3.33Å; G27-R30 PolarHBondContact O-N 2.97Å; G27-R30 VanDerWaalsContact O-N 3.15Å; R30-E32 VanDerWaalsContact C-N 3.28Å; R30-E32 HydrophobicContact CB-CG 4.2Å; R30-E32 PolarHBondContact O-N 3.15Å; R30-N33 CarbonylContact O-C 3.58Å; R30-N33 PolarHBondContact O-N 3.36Å; R30-A34 WeakPolarHBondContact O-CA 3.45Å; R30-A34 PolarHBondContact O-N 2.86Å |
| 31 | H | 92.2 | Very high | 93.1 | Very high | 49 Ų | 49 | 73 Ų | 73 | 23% | 0.227 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -43.1 | -179.9 | 179.1 | -104.4 | 0 | 0 | 0 | 113 | N33 R133 Q152 W159 | H31-N33 VanDerWaalsContact C-N 3.25Å; H31-N33 PolarHBondContact O-N 3.29Å; H31-R133 VanDerWaalsContact CG-NH2 3.31Å; H31-R133 WeakPolarHBondContact NE2-CA 3.31Å; H31-R133 WeakPolarHBondContact NE2-CB 3.27Å; H31-R133 PolarHBondContact NE2-O 2.77Å; H31-R133 VanDerWaalsContact NE2-O 3.11Å; H31-Q152 PolarHBondContact CD2-OE1 2.76Å; H31-Q152 PolarHBondContact NE2-OE1 3.46Å; H31-W159 HydrophobicContact CB-CD2 4.09Å; H31-W159 HydrophobicContact CB-CG 3.9Å; H31-W159 AromaticContact CD2-CD2 3.72Å; H31-W159 AromaticContact CD2-CE2 3.97Å; H31-W159 AromaticContact CD2-CE3 3.74Å; H31-W159 AromaticContact CD2-CZ3 3.99Å |
| 32 | E | 91.3 | Very high | 93.7 | Very high | 162 Ų | 162 | 69.1 Ų | 69.1 | 76% | 0.757 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.3 | 177 | 65.1 | -160.3 | -179.6 | 0 | 0 | 114.7 | R30 | R30-E32 VanDerWaalsContact C-N 3.28Å; R30-E32 HydrophobicContact CB-CG 4.2Å; R30-E32 PolarHBondContact O-N 3.15Å |
| 33 | N | 94.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 66.3 Ų | 66.3 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -138.6 | 56.2 | -179.9 | -171.6 | 23.1 | 0 | 0 | 0 | 109.8 | G29 R30 H31 | G29-N33 PolarHBondContact N-O 2.88Å; R30-N33 CarbonylContact O-C 3.58Å; R30-N33 PolarHBondContact O-N 3.36Å; H31-N33 VanDerWaalsContact C-N 3.25Å; H31-N33 PolarHBondContact O-N 3.29Å |
| 34 | A | 96.5 | Very high | 94.5 | Very high | 12 Ų | 12 | 70.7 Ų | 70.7 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | trans | -62.8 | 146.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R30 K36 W159 D161 | R30-A34 WeakPolarHBondContact O-CA 3.45Å; R30-A34 PolarHBondContact O-N 2.86Å; A34-K36 PolarHBondContact O-N 3.33Å; A34-W159 CarbonylContact C-O 3.53Å; A34-W159 WeakPolarHBondContact CA-O 3.35Å; A34-W159 HydrophobicContact CB-CB 4.08Å; A34-D161 HydrophobicContact CB-CB 4.11Å | ||
| 35 | I | 96.8 | Very high | 94.9 | Very high | 35 Ų | 35 | 69.6 Ų | 69.6 | 18% | 0.179 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 125.2 | 176.7 | -65.6 | 168.1 | 0 | 0 | 0 | 108.7 | L28 Y37 E158 W159 V160 D161 | L28-I35 HydrophobicContact CD1-CG1 4.08Å; L28-I35 HydrophobicContact CD2-CG1 4.27Å; L28-I35 HydrophobicContact CG-CG1 3.81Å; I35-Y37 PolarHBondContact O-N 2.97Å; I35-Y37 VanDerWaalsContact O-N 3.14Å; I35-E158 HydrophobicContact CD1-CB 3.8Å; I35-E158 VanDerWaalsContact CD1-CD 3.48Å; I35-E158 HydrophobicContact CD1-CG 4.15Å; I35-E158 WeakPolarHBondContact CD1-OE2 3.38Å; I35-W159 PolarHBondContact N-O 3.24Å; I35-V160 HydrophobicContact CB-CG2 4.34Å; I35-V160 CarbonylContact O-C 3.56Å; I35-V160 VanDerWaalsContact O-CA 3.3Å; I35-V160 WeakPolarHBondContact O-CA 3.13Å; I35-V160 WeakPolarHBondContact O-CG1 3.3Å; I35-D161 PolarHBondContact O-N 3.39Å |
| 36 | K | 97.2 | Very high | 95.4 | Very high | 101 Ų | 101 | 65.7 Ų | 65.7 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 108.6 | 174.2 | -64.1 | 176.1 | -170.6 | 177.6 | 0 | 109.9 | A34 L38 G39 Q40 D41 | A34-K36 PolarHBondContact O-N 3.33Å; K36-L38 PolarHBondContact O-N 2.65Å; K36-G39 PolarHBondContact O-N 3.1Å; K36-Q40 WeakPolarHBondContact CB-O 3.42Å; K36-D41 HydrophobicContact CD-CB 4.05Å; K36-D41 VanDerWaalsContact CE-OD2 3.23Å; K36-D41 WeakPolarHBondContact CE-OD2 3.48Å; K36-D41 IonicContact NZ-OD2 2.75Å; K36-D41 PolarHBondContact NZ-OD2 3.3Å |
| 37 | Y | 97.2 | Very high | 95.7 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -60.8 | 126.3 | -177.6 | -169.7 | -114.7 | 0 | 0 | 0 | 110.3 | I35 G39 Q40 V160 D161 V162 K197 V198 | I35-Y37 PolarHBondContact O-N 2.97Å; I35-Y37 VanDerWaalsContact O-N 3.14Å; Y37-G39 PolarHBondContact O-N 2.8Å; Y37-Q40 PolarHBondContact O-N 3.01Å; Y37-Q40 VanDerWaalsContact O-N 3.08Å; Y37-V160 HydrophobicContact CD2-CG1 3.82Å; Y37-V160 HydrophobicContact CG-CG1 4.13Å; Y37-D161 VanDerWaalsContact CB-O 3.24Å; Y37-D161 WeakPolarHBondContact CB-O 3.43Å; Y37-D161 PolarHBondContact N-O 3.31Å; Y37-V162 HydrophobicContact CD1-CG1 4.34Å; Y37-V162 HydrophobicContact CG-CG2 4.44Å; Y37-K197 HydrophobicContact CE1-CG 4.05Å; Y37-V198 HydrophobicContact CD1-CG2 4.5Å; Y37-V198 HydrophobicContact CD2-CG2 4.48Å; Y37-V198 HydrophobicContact CE1-CG2 4.38Å; Y37-V198 HydrophobicContact CE2-CG1 4.49Å; Y37-V198 HydrophobicContact CE2-CG2 4.34Å |
| 38 | L | 95.4 | Very high | 96 | Very high | 105 Ų | 105 | 67.4 Ų | 67.4 | 55% | 0.55 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | 54.9 | 24.8 | -176.8 | -55.4 | 173.5 | 0 | 0 | 0 | 113.8 | K36 Q40 A60 | K36-L38 PolarHBondContact O-N 2.65Å; L38-Q40 PolarHBondContact O-N 3.23Å; L38-A60 HydrophobicContact CD1-CB 3.55Å |
| 39 | G | 94.2 | Very high | 96.2 | Very high | 64 Ų | 64 | 65.4 Ų | 65.4 | 66% | 0.66 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | 70.2 | 9.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K36 Y37 | K36-G39 PolarHBondContact O-N 3.1Å; Y37-G39 PolarHBondContact O-N 2.8Å |
| 40 | Q | 97.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | trans | -78.2 | 123.9 | 177.9 | -69.5 | 177.3 | -48.9 | 0 | 0 | 110.4 | K36 Y37 L38 L45 D58 V163 | K36-Q40 WeakPolarHBondContact CB-O 3.42Å; Y37-Q40 PolarHBondContact O-N 3.01Å; Y37-Q40 VanDerWaalsContact O-N 3.08Å; L38-Q40 PolarHBondContact O-N 3.23Å; Q40-L45 HydrophobicContact CB-CD1 3.77Å; Q40-L45 HydrophobicContact CG-CD1 4.1Å; Q40-D58 PolarHBondContact NE2-OD1 3.44Å; Q40-V163 HydrophobicContact CB-CB 4.25Å; Q40-V163 HydrophobicContact CB-CG2 4.14Å | ||
| 41 | D | 97.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 70 Ų | 70 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | trans | -105.4 | 116.5 | 177.1 | -177.9 | -62.8 | 0 | 0 | 0 | 109.4 | K36 E43 Q44 L45 | K36-D41 HydrophobicContact CD-CB 4.05Å; K36-D41 VanDerWaalsContact CE-OD2 3.23Å; K36-D41 WeakPolarHBondContact CE-OD2 3.48Å; K36-D41 IonicContact NZ-OD2 2.75Å; K36-D41 PolarHBondContact NZ-OD2 3.3Å; D41-E43 PolarHBondContact O-N 3.37Å; D41-E43 PolarHBondContact OD1-N 3.24Å; D41-E43 VanDerWaalsContact OD1-N 3.1Å; D41-Q44 HydrophobicContact CB-CB 4.04Å; D41-Q44 HydrophobicContact CB-CG 4.19Å; D41-Q44 PolarHBondContact O-N 2.9Å; D41-Q44 WeakPolarHBondContact OD1-CG 3.35Å; D41-Q44 PolarHBondContact OD1-N 3.1Å; D41-L45 VanDerWaalsContact O-CB 3.3Å; D41-L45 WeakPolarHBondContact O-CB 3.16Å; D41-L45 WeakPolarHBondContact O-CG 3.25Å; D41-L45 PolarHBondContact O-N 3.15Å | ||
| 42 | Y | 98.2 | Very high | 96.9 | Very high | 15 Ų | 15 | 71 Ų | 71 | 6% | 0.059 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.5 | -51.7 | -177 | 169.1 | -107.6 | 0 | 0 | 0 | 112.5 | L45 R46 I148 H150 | Y42-L45 PolarHBondContact O-N 2.8Å; Y42-R46 WeakPolarHBondContact O-CB 3.25Å; Y42-R46 PolarHBondContact O-N 3.42Å; Y42-R46 WeakPolarHBondContact OH-CD 3.22Å; Y42-I148 HydrophobicContact CD2-CD1 4.17Å; Y42-I148 HydrophobicContact CD2-CG1 4.02Å; Y42-I148 HydrophobicContact CE2-CG1 4.21Å; Y42-I148 HydrophobicContact CE2-CG2 4.15Å; Y42-H150 AromaticContact CD1-NE2 4Å; Y42-H150 HydrophobicContact CD2-CB 3.86Å; Y42-H150 AromaticContact CD2-CG 3.96Å; Y42-H150 HydrophobicContact CG-CB 3.98Å; Y42-H150 AromaticContact CG-CG 3.71Å; Y42-H150 AromaticContact CG-ND1 3.93Å |
| 43 | E | 97 | Very high | 97.2 | Very high | 110 Ų | 110 | 66.7 Ų | 66.7 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.9 | -41.2 | -174.7 | -67.2 | -64.2 | 175.3 | 0 | 0 | 111.6 | D41 R46 A47 | D41-E43 PolarHBondContact O-N 3.37Å; D41-E43 PolarHBondContact OD1-N 3.24Å; D41-E43 VanDerWaalsContact OD1-N 3.1Å; E43-R46 IonicContact OE2-NH1 2.83Å; E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 2.88Å |
| 44 | Q | 97.8 | Very high | 97.3 | Very high | 120 Ų | 120 | 66.5 Ų | 66.5 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 176.6 | -69.4 | -178.3 | 33.6 | 0 | 0 | 112.3 | D41 R48 | D41-Q44 HydrophobicContact CB-CB 4.04Å; D41-Q44 HydrophobicContact CB-CG 4.19Å; D41-Q44 PolarHBondContact O-N 2.9Å; D41-Q44 WeakPolarHBondContact OD1-CG 3.35Å; D41-Q44 PolarHBondContact OD1-N 3.1Å; Q44-R48 WeakPolarHBondContact O-CB 3.41Å; Q44-R48 PolarHBondContact O-N 3.39Å |
| 45 | L | 98.3 | Very high | 97.4 | Very high | 27 Ų | 27 | 69.6 Ų | 69.6 | 14% | 0.141 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 179.2 | -71.3 | 171.5 | 0 | 0 | 0 | 111.2 | Q40 D41 Y42 R48 C49 F56 I148 V163 | Q40-L45 HydrophobicContact CB-CD1 3.77Å; Q40-L45 HydrophobicContact CG-CD1 4.1Å; D41-L45 VanDerWaalsContact O-CB 3.3Å; D41-L45 WeakPolarHBondContact O-CB 3.16Å; D41-L45 WeakPolarHBondContact O-CG 3.25Å; D41-L45 PolarHBondContact O-N 3.15Å; Y42-L45 PolarHBondContact O-N 2.8Å; L45-R48 PolarHBondContact O-N 3.43Å; L45-C49 WeakPolarHBondContact O-CB 3.27Å; L45-C49 PolarHBondContact O-N 2.9Å; L45-C49 PolarHBondContact O-SG 2.9Å; L45-F56 HydrophobicContact CB-CE2 4.42Å; L45-F56 HydrophobicContact CD1-CE2 3.96Å; L45-F56 HydrophobicContact CD1-CZ 4.06Å; L45-F56 HydrophobicContact CD2-CE2 4.15Å; L45-F56 HydrophobicContact CG-CE2 4.41Å; L45-I148 HydrophobicContact CB-CD1 3.55Å; L45-I148 HydrophobicContact CD1-CD1 4.48Å; L45-V163 HydrophobicContact CD1-CG1 4.25Å |
| 46 | R | 98.1 | Very high | 97.5 | Very high | 50 Ų | 50 | 68.7 Ų | 68.7 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 175 | -180 | 174.3 | 171.7 | -129.3 | 9.4 | 111.4 | Y42 E43 R48 C49 L50 G144 A146 I148 | Y42-R46 WeakPolarHBondContact O-CB 3.25Å; Y42-R46 PolarHBondContact O-N 3.42Å; Y42-R46 WeakPolarHBondContact OH-CD 3.22Å; E43-R46 IonicContact OE2-NH1 2.83Å; R46-R48 VanDerWaalsContact C-N 3.32Å; R46-R48 PolarHBondContact O-N 3.37Å; R46-C49 PolarHBondContact O-N 2.98Å; R46-L50 HydrophobicContact CG-CD1 3.99Å; R46-L50 HydrophobicContact CG-CG 4.41Å; R46-L50 WeakPolarHBondContact O-CG 3.1Å; R46-L50 PolarHBondContact O-N 3.34Å; R46-G144 PolarHBondContact NE-O 3.47Å; R46-G144 PolarHBondContact NH2-O 2.73Å; R46-G144 VanDerWaalsContact NH2-O 3.11Å; R46-A146 HydrophobicContact CG-CB 4.31Å; R46-I148 HydrophobicContact CB-CG2 3.8Å; R46-I148 HydrophobicContact CG-CG2 3.95Å |
| 47 | A | 97.8 | Very high | 97.5 | Very high | 41 Ų | 41 | 72 Ų | 72 | 34% | 0.339 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E43 L50 Q51 | E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 2.88Å; A47-L50 PolarHBondContact O-N 3.05Å; A47-Q51 WeakPolarHBondContact O-CB 3.49Å; A47-Q51 VanDerWaalsContact O-CG 3.24Å; A47-Q51 WeakPolarHBondContact O-CG 3.33Å; A47-Q51 PolarHBondContact O-N 3.5Å |
| 48 | R | 98 | Very high | 97.6 | Very high | 154 Ų | 154 | 70.6 Ų | 70.6 | 58% | 0.581 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.2 | -47.1 | 175.9 | -172.9 | -176 | -60.7 | 171.9 | 2.3 | 111.7 | Q44 L45 R46 Q51 S52 | Q44-R48 WeakPolarHBondContact O-CB 3.41Å; Q44-R48 PolarHBondContact O-N 3.39Å; L45-R48 PolarHBondContact O-N 3.43Å; R46-R48 VanDerWaalsContact C-N 3.32Å; R46-R48 PolarHBondContact O-N 3.37Å; R48-Q51 PolarHBondContact O-N 3.39Å; R48-S52 PolarHBondContact O-N 3.25Å; R48-S52 PolarHBondContact O-OG 3.4Å |
| 49 | C | 98.1 | Very high | 97.7 | Very high | 12 Ų | 12 | 74.4 Ų | 74.4 | 8% | 0.081 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 179.6 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | L45 R46 S52 G53 T54 A146 | L45-C49 WeakPolarHBondContact O-CB 3.27Å; L45-C49 PolarHBondContact O-N 2.9Å; L45-C49 PolarHBondContact O-SG 2.9Å; R46-C49 PolarHBondContact O-N 2.98Å; C49-S52 PolarHBondContact O-N 2.6Å; C49-S52 PolarHBondContact O-OG 2.67Å; C49-G53 PolarHBondContact O-N 3.07Å; C49-T54 VanDerWaalsContact CB-O 3.3Å; C49-T54 WeakPolarHBondContact CB-O 3.32Å; C49-T54 PolarHBondContact O-N 3.07Å; C49-T54 VanDerWaalsContact O-N 3.08Å; C49-A146 HydrophobicContact CB-CB 3.76Å |
| 50 | L | 97.5 | Very high | 97.8 | Very high | 83 Ų | 83 | 73.4 Ų | 73.4 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.1 | -70.8 | 172.4 | 0 | 0 | 0 | 111.7 | R46 A47 G53 A146 | R46-L50 HydrophobicContact CG-CD1 3.99Å; R46-L50 HydrophobicContact CG-CG 4.41Å; R46-L50 WeakPolarHBondContact O-CG 3.1Å; R46-L50 PolarHBondContact O-N 3.34Å; A47-L50 PolarHBondContact O-N 3.05Å; L50-G53 PolarHBondContact O-N 3.26Å; L50-A146 HydrophobicContact CD2-CB 4.03Å; L50-A146 HydrophobicContact CG-CB 4.07Å |
| 51 | Q | 97.7 | Very high | 97.8 | Very high | 167 Ų | 167 | 72.5 Ų | 72.5 | 78% | 0.78 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.8 | -38.9 | 177.7 | -74.1 | 171.2 | 11.3 | 0 | 0 | 112.7 | A47 R48 G53 | A47-Q51 WeakPolarHBondContact O-CB 3.49Å; A47-Q51 VanDerWaalsContact O-CG 3.24Å; A47-Q51 WeakPolarHBondContact O-CG 3.33Å; A47-Q51 PolarHBondContact O-N 3.5Å; R48-Q51 PolarHBondContact O-N 3.39Å; Q51-G53 VanDerWaalsContact C-N 3.35Å |
| 52 | S | 97.5 | Very high | 97.8 | Very high | 69 Ų | 69 | 73.2 Ų | 73.2 | 48% | 0.483 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -82.6 | -9.6 | 178.2 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | R48 C49 T54 | R48-S52 PolarHBondContact O-N 3.25Å; R48-S52 PolarHBondContact O-OG 3.4Å; C49-S52 PolarHBondContact O-N 2.6Å; C49-S52 PolarHBondContact O-OG 2.67Å; S52-T54 VanDerWaalsContact C-N 3.25Å; S52-T54 PolarHBondContact O-N 2.84Å; S52-T54 PolarHBondContact OG-OG1 3.1Å |
| 53 | G | 97 | Very high | 97.8 | Very high | 72 Ų | 72 | 73.7 Ų | 73.7 | 74% | 0.742 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 28 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C49 L50 Q51 | C49-G53 PolarHBondContact O-N 3.07Å; L50-G53 PolarHBondContact O-N 3.26Å; Q51-G53 VanDerWaalsContact C-N 3.35Å |
| 54 | T | 97.7 | Very high | 97.7 | Very high | 76 Ų | 76 | 70.8 Ų | 70.8 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | trans | -116.1 | 152.5 | -178.1 | 57.9 | 0 | 0 | 0 | 0 | 111 | C49 S52 | C49-T54 VanDerWaalsContact CB-O 3.3Å; C49-T54 WeakPolarHBondContact CB-O 3.32Å; C49-T54 PolarHBondContact O-N 3.07Å; C49-T54 VanDerWaalsContact O-N 3.08Å; S52-T54 VanDerWaalsContact C-N 3.25Å; S52-T54 PolarHBondContact O-N 2.84Å; S52-T54 PolarHBondContact OG-OG1 3.1Å | ||
| 55 | L | 98.4 | Very high | 97.6 | Very high | 76 Ų | 76 | 67.7 Ų | 67.7 | 40% | 0.398 | 37% | 0.367 | S | S | . | . | trans | -83.6 | 138.7 | 171.2 | -58.7 | 178 | 0 | 0 | 0 | 110.6 | R57 Y145 | L55-R57 PolarHBondContact O-N 3.02Å; L55-Y145 HydrophobicContact CD1-CE1 4.47Å; L55-Y145 HydrophobicContact CD2-CD1 4.1Å; L55-Y145 HydrophobicContact CD2-CE1 3.53Å | ||
| 56 | F | 98.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 72 Ų | 72 | 7% | 0.07 | 39% | 0.386 | C | S | . | . | trans | -59.4 | 136.1 | 177.2 | 179.8 | -117.2 | 0 | 0 | 0 | 110.8 | L45 D58 R87 A146 I148 V163 D165 | L45-F56 HydrophobicContact CB-CE2 4.42Å; L45-F56 HydrophobicContact CD1-CE2 3.96Å; L45-F56 HydrophobicContact CD1-CZ 4.06Å; L45-F56 HydrophobicContact CD2-CE2 4.15Å; L45-F56 HydrophobicContact CG-CE2 4.41Å; F56-D58 HydrophobicContact CE1-CB 3.77Å; F56-D58 HydrophobicContact CZ-CB 4.1Å; F56-R87 PolarHBondContact O-NH1 2.79Å; F56-R87 VanDerWaalsContact O-NH1 3.1Å; F56-R87 PolarHBondContact O-NH2 3.43Å; F56-A146 WeakPolarHBondContact CB-O 2.77Å; F56-A146 PolarHBondContact N-O 3.15Å; F56-I148 HydrophobicContact CB-CB 3.72Å; F56-I148 HydrophobicContact CB-CD1 4.35Å; F56-I148 HydrophobicContact CB-CG1 4.31Å; F56-I148 HydrophobicContact CD1-CB 3.84Å; F56-I148 HydrophobicContact CD1-CD1 3.85Å; F56-I148 HydrophobicContact CD1-CG1 3.61Å; F56-I148 HydrophobicContact CD2-CD1 4.22Å; F56-I148 HydrophobicContact CE1-CD1 4.19Å; F56-I148 HydrophobicContact CE1-CG1 4.13Å; F56-I148 HydrophobicContact CG-CB 3.99Å; F56-I148 HydrophobicContact CG-CD1 3.88Å; F56-I148 HydrophobicContact CG-CG1 4.01Å; F56-V163 HydrophobicContact CE1-CG1 3.85Å; F56-V163 HydrophobicContact CZ-CG1 4.19Å; F56-D165 HydrophobicContact CD1-CB 3.68Å; F56-D165 HydrophobicContact CE1-CB 4.23Å; F56-D165 WeakPolarHBondContact O-CB 3.12Å | ||
| 57 | R | 98.1 | Very high | 97.4 | Very high | 170 Ų | 170 | 70 Ų | 70 | 64% | 0.642 | 38% | 0.38 | S | S | * | . | trans | -125.8 | 119.7 | 173 | -172.8 | 176.5 | -176.7 | 172.8 | 0.5 | 107.5 | L55 E59 D165 | L55-R57 PolarHBondContact O-N 3.02Å; R57-E59 PolarHBondContact O-N 2.88Å; R57-E59 VanDerWaalsContact O-N 3.16Å; R57-D165 WeakPolarHBondContact CA-OD2 3.39Å | ||
| 58 | D | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | trans | -80.6 | 99.6 | -172.3 | -169.8 | 3.4 | 0 | 0 | 0 | 110.9 | Q40 F56 A60 F61 P62 D165 K197 | Q40-D58 PolarHBondContact NE2-OD1 3.44Å; F56-D58 HydrophobicContact CE1-CB 3.77Å; F56-D58 HydrophobicContact CZ-CB 4.1Å; D58-A60 PolarHBondContact O-N 2.88Å; D58-A60 WeakPolarHBondContact OD1-CB 3.4Å; D58-A60 PolarHBondContact OD1-N 3.43Å; D58-A60 VanDerWaalsContact OD1-N 3.14Å; D58-F61 CarbonylContact O-C 3.54Å; D58-F61 VanDerWaalsContact O-C 3.28Å; D58-F61 PolarHBondContact O-N 2.92Å; D58-P62 WeakPolarHBondContact O-CA 3.1Å; D58-D165 HydrophobicContact CB-CB 4.27Å; D58-D165 PolarHBondContact N-OD2 2.68Å; D58-K197 VanDerWaalsContact CG-NZ 3.32Å; D58-K197 IonicContact OD1-NZ 2.63Å; D58-K197 PolarHBondContact OD1-NZ 3.24Å; D58-K197 WeakPolarHBondContact OD2-CE 3.23Å; D58-K197 IonicContact OD2-NZ 2.63Å; D58-K197 PolarHBondContact OD2-NZ 3.41Å | ||
| 59 | E | 97.1 | Very high | 97.3 | Very high | 185 Ų | 185 | 61 Ų | 61 | 86% | 0.864 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -24.3 | 177.4 | -61.7 | -173.7 | 168.1 | 0 | 0 | 112.7 | R57 | R57-E59 PolarHBondContact O-N 2.88Å; R57-E59 VanDerWaalsContact O-N 3.16Å |
| 60 | A | 96.7 | Very high | 97.1 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -18.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L38 D58 | L38-A60 HydrophobicContact CD1-CB 3.55Å; D58-A60 PolarHBondContact O-N 2.88Å; D58-A60 WeakPolarHBondContact OD1-CB 3.4Å; D58-A60 PolarHBondContact OD1-N 3.43Å; D58-A60 VanDerWaalsContact OD1-N 3.14Å |
| 61 | F | 98 | Very high | 96.9 | Very high | 7 Ų | 7 | 67.1 Ų | 67.1 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -141.6 | 68.2 | 175.5 | -161.7 | -110.5 | 0 | 0 | 0 | 110.2 | D58 S67 W85 K193 A196 K197 Y202 | D58-F61 CarbonylContact O-C 3.54Å; D58-F61 VanDerWaalsContact O-C 3.28Å; D58-F61 PolarHBondContact O-N 2.92Å; F61-S67 WeakPolarHBondContact CZ-O 3.49Å; F61-W85 HydrophobicContact CE1-CH2 4.45Å; F61-K193 HydrophobicContact CD1-CG 4.44Å; F61-K193 HydrophobicContact CE1-CG 4.2Å; F61-A196 HydrophobicContact CZ-CB 4.2Å; F61-K197 HydrophobicContact CB-CB 4.23Å; F61-K197 HydrophobicContact CB-CD 3.69Å; F61-K197 HydrophobicContact CB-CG 3.8Å; F61-K197 HydrophobicContact CD1-CB 4.09Å; F61-K197 HydrophobicContact CD2-CB 3.87Å; F61-K197 HydrophobicContact CD2-CG 3.98Å; F61-K197 HydrophobicContact CE1-CB 4.39Å; F61-K197 HydrophobicContact CE2-CB 4.2Å; F61-K197 HydrophobicContact CG-CB 3.8Å; F61-K197 HydrophobicContact CG-CD 4.2Å; F61-K197 HydrophobicContact CG-CG 3.88Å; F61-K197 HydrophobicContact CZ-CB 4.44Å; F61-Y202 HydrophobicContact CE1-CD2 4.48Å; F61-Y202 HydrophobicContact CE1-CE2 4.13Å; F61-Y202 HydrophobicContact CZ-CD2 4.33Å; F61-Y202 HydrophobicContact CZ-CE2 4.42Å |
| 62 | P | 97.9 | Very high | 96.6 | Very high | 45 Ų | 45 | 63 Ų | 63 | 29% | 0.292 | 34% | 0.343 | S | S | . | . | trans | -68.5 | 156.5 | -168.3 | 25.4 | -31.4 | 0 | 0 | 0 | 111.8 | D58 V64 S67 | D58-P62 WeakPolarHBondContact O-CA 3.1Å; P62-V64 HydrophobicContact CB-CG1 4.21Å; P62-V64 HydrophobicContact CB-CG2 4.3Å; P62-V64 HydrophobicContact CG-CG1 4.49Å; P62-V64 HydrophobicContact CG-CG2 3.82Å; P62-V64 PolarHBondContact O-N 3.06Å; P62-S67 WeakPolarHBondContact O-CB 3.24Å; P62-S67 PolarHBondContact O-OG 3.4Å | ||
| 63 | P | 97.4 | Very high | 96.5 | Very high | 25 Ų | 25 | 60.5 Ų | 60.5 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -74.9 | 64.9 | 178.8 | 32.6 | -38.8 | 0 | 0 | 0 | 111.9 | W85 L167 | P63-W85 HydrophobicContact CB-CB 3.6Å; P63-W85 HydrophobicContact CB-CD2 3.52Å; P63-W85 HydrophobicContact CB-CE3 3.95Å; P63-W85 HydrophobicContact CB-CG 3.36Å; P63-L167 HydrophobicContact CB-CD1 4.06Å; P63-L167 HydrophobicContact CG-CD1 3.88Å |
| 64 | V | 96.5 | Very high | 96.3 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 29% | 0.291 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -130 | 161.1 | -174.9 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | P62 Q66 S67 | P62-V64 HydrophobicContact CB-CG1 4.21Å; P62-V64 HydrophobicContact CB-CG2 4.3Å; P62-V64 HydrophobicContact CG-CG1 4.49Å; P62-V64 HydrophobicContact CG-CG2 3.82Å; P62-V64 PolarHBondContact O-N 3.06Å; V64-Q66 HydrophobicContact CG2-CB 4.22Å; V64-Q66 PolarHBondContact O-N 3.36Å; V64-Q66 VanDerWaalsContact O-N 3.16Å; V64-S67 WeakPolarHBondContact O-CB 3.09Å; V64-S67 PolarHBondContact O-N 3.46Å |
| 65 | P | 95.4 | Very high | 96 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.7 | -29.6 | -178.1 | -27.3 | 36.4 | 0 | 0 | 0 | 114.9 | S67 L68 G69 P75 | P65-S67 PolarHBondContact O-N 2.94Å; P65-L68 WeakPolarHBondContact O-CB 3.37Å; P65-L68 PolarHBondContact O-N 3.34Å; P65-G69 PolarHBondContact O-N 3.27Å; P65-G69 VanDerWaalsContact O-N 3.08Å; P65-P75 HydrophobicContact CB-CB 4.04Å; P65-P75 HydrophobicContact CB-CG 4.02Å |
| 66 | Q | 95 | Very high | 95.7 | Very high | 118 Ų | 118 | 60.9 Ų | 60.9 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.8 | -26.7 | 177.7 | -66.3 | 78.4 | 3.6 | 0 | 0 | 113.1 | V64 L68 | V64-Q66 HydrophobicContact CG2-CB 4.22Å; V64-Q66 PolarHBondContact O-N 3.36Å; V64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-L68 VanDerWaalsContact C-N 3.31Å |
| 67 | S | 97.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.2 | -23.4 | 174.3 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | F61 P62 V64 P65 S201 Y202 | F61-S67 WeakPolarHBondContact CZ-O 3.49Å; P62-S67 WeakPolarHBondContact O-CB 3.24Å; P62-S67 PolarHBondContact O-OG 3.4Å; V64-S67 WeakPolarHBondContact O-CB 3.09Å; V64-S67 PolarHBondContact O-N 3.46Å; P65-S67 PolarHBondContact O-N 2.94Å; S67-S201 VanDerWaalsContact O-CA 3.28Å; S67-S201 WeakPolarHBondContact O-CA 3.23Å; S67-S201 WeakPolarHBondContact O-CB 3.17Å; S67-Y202 PolarHBondContact O-N 2.78Å |
| 68 | L | 97.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.7 | -44.5 | 171.1 | -58.9 | 175.9 | 0 | 0 | 0 | 110.7 | P65 Q66 L73 T80 I83 W85 P169 F177 Y202 E203 | P65-L68 WeakPolarHBondContact O-CB 3.37Å; P65-L68 PolarHBondContact O-N 3.34Å; Q66-L68 VanDerWaalsContact C-N 3.31Å; L68-L73 CarbonylContact C-O 3.6Å; L68-L73 HydrophobicContact CB-CB 4.37Å; L68-L73 WeakPolarHBondContact CB-O 3.44Å; L68-T80 HydrophobicContact CB-CG2 4.43Å; L68-T80 HydrophobicContact CD1-CG2 3.95Å; L68-I83 HydrophobicContact CD1-CB 4.44Å; L68-I83 HydrophobicContact CD1-CD1 4.06Å; L68-I83 HydrophobicContact CD1-CG2 4.07Å; L68-W85 HydrophobicContact CD2-CH2 4.25Å; L68-W85 HydrophobicContact CD2-CZ2 3.64Å; L68-W85 HydrophobicContact CG-CZ2 4.01Å; L68-P169 HydrophobicContact CD2-CB 3.99Å; L68-P169 HydrophobicContact CD2-CG 3.65Å; L68-F177 HydrophobicContact CD2-CE2 3.9Å; L68-F177 HydrophobicContact CD2-CZ 4.17Å; L68-Y202 HydrophobicContact CD2-CD2 4.18Å; L68-Y202 WeakPolarHBondContact O-CB 3.5Å; L68-Y202 PolarHBondContact O-N 3.21Å; L68-E203 WeakPolarHBondContact O-CB 3.44Å; L68-E203 PolarHBondContact O-N 2.89Å |
| 69 | G | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | trans | 174.5 | -167.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P65 L73 E203 | P65-G69 PolarHBondContact O-N 3.27Å; P65-G69 VanDerWaalsContact O-N 3.08Å; G69-L73 WeakPolarHBondContact CA-O 3.44Å; G69-L73 PolarHBondContact N-O 3.33Å; G69-E203 VanDerWaalsContact CA-OE2 3.25Å; G69-E203 WeakPolarHBondContact CA-OE2 3.46Å | ||
| 70 | F | 93.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -134.7 | -16.1 | -172.9 | 50.1 | -96.2 | 0 | 0 | 0 | 113.6 | E203 R432 R433 | F70-E203 HydrophobicContact CE1-CB 4.18Å; F70-E203 HydrophobicContact CE1-CG 4.35Å; F70-E203 HydrophobicContact CZ-CG 4.29Å; F70-E203 PolarHBondContact N-OE2 3.29Å; F70-R432 HydrophobicContact CE1-CB 4.46Å; F70-R432 HydrophobicContact CE2-CB 4.38Å; F70-R432 HydrophobicContact CZ-CB 3.73Å; F70-R433 HydrophobicContact CB-CB 4.24Å; F70-R433 HydrophobicContact CD1-CB 3.81Å; F70-R433 HydrophobicContact CD2-CB 4.35Å; F70-R433 HydrophobicContact CE1-CB 4.26Å; F70-R433 HydrophobicContact CG-CB 3.87Å |
| 71 | K | 92.7 | Very high | 94.7 | Very high | 150 Ų | 150 | 62.7 Ų | 62.7 | 65% | 0.652 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -136.5 | -82.5 | 178.4 | -179.5 | -168.8 | 174.4 | -168 | 0 | 111.1 | L73 G74 E203 | K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 2.88Å; K71-G74 PolarHBondContact O-N 3.07Å; K71-E203 WeakPolarHBondContact CB-OE1 3.47Å; K71-E203 PolarHBondContact N-OE1 3.39Å; K71-E203 PolarHBondContact N-OE2 3.5Å |
| 72 | D | 92.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 64.4 Ų | 64.4 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -27.1 | -176.7 | -69.3 | -20.8 | 0 | 0 | 0 | 112 | S77 E203 | D72-S77 WeakPolarHBondContact O-CB 3.34Å; D72-S77 PolarHBondContact O-OG 3.48Å; D72-E203 VanDerWaalsContact N-CD 3.33Å; D72-E203 PolarHBondContact N-OE1 3.14Å; D72-E203 PolarHBondContact N-OE2 3.17Å |
| 73 | L | 95.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 22.3 | 170.1 | -57.3 | 177.4 | 0 | 0 | 0 | 111.8 | L68 G69 K71 K79 T80 L112 F177 E203 | L68-L73 CarbonylContact C-O 3.6Å; L68-L73 HydrophobicContact CB-CB 4.37Å; L68-L73 WeakPolarHBondContact CB-O 3.44Å; G69-L73 WeakPolarHBondContact CA-O 3.44Å; G69-L73 PolarHBondContact N-O 3.33Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 2.88Å; L73-K79 HydrophobicContact CD2-CB 4.09Å; L73-K79 HydrophobicContact CD2-CD 4.45Å; L73-T80 HydrophobicContact CB-CG2 3.92Å; L73-T80 HydrophobicContact CD2-CG2 4.04Å; L73-T80 WeakPolarHBondContact O-CG2 3.18Å; L73-L112 HydrophobicContact CD1-CD1 3.8Å; L73-F177 HydrophobicContact CD1-CE1 4.12Å; L73-F177 HydrophobicContact CD1-CZ 4.11Å; L73-E203 HydrophobicContact CB-CB 4.15Å; L73-E203 HydrophobicContact CB-CG 4.39Å; L73-E203 HydrophobicContact CD1-CB 4.29Å; L73-E203 HydrophobicContact CG-CB 4.48Å; L73-E203 PolarHBondContact N-OE2 2.87Å |
| 74 | G | 93 | Very high | 94.4 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -74.6 | 176.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | K71 N76 S77 T80 | K71-G74 PolarHBondContact O-N 3.07Å; G74-N76 PolarHBondContact O-N 3.19Å; G74-N76 VanDerWaalsContact O-N 3.15Å; G74-S77 WeakPolarHBondContact O-CB 3.24Å; G74-S77 PolarHBondContact O-N 2.98Å; G74-S77 VanDerWaalsContact O-N 3.16Å; G74-T80 PolarHBondContact O-OG1 3.44Å; G74-T80 VanDerWaalsContact O-OG1 3.04Å |
| 75 | P | 91.3 | Very high | 94.5 | Very high | 64 Ų | 64 | 68.8 Ų | 68.8 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.2 | -178.8 | -23.1 | 30.8 | 0 | 0 | 0 | 115.4 | P65 | P65-P75 HydrophobicContact CB-CB 4.04Å; P65-P75 HydrophobicContact CB-CG 4.02Å |
| 76 | N | 91.1 | Very high | 94.6 | Very high | 166 Ų | 166 | 69.6 Ų | 69.6 | 89% | 0.888 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 7.9 | -176.7 | -61.4 | -32.7 | 0 | 0 | 0 | 113.1 | G74 | G74-N76 PolarHBondContact O-N 3.19Å; G74-N76 VanDerWaalsContact O-N 3.15Å |
| 77 | S | 94.4 | Very high | 94.8 | Very high | 21 Ų | 21 | 65 Ų | 65 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | trans | -83 | 136.1 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | D72 G74 K79 T80 | D72-S77 WeakPolarHBondContact O-CB 3.34Å; D72-S77 PolarHBondContact O-OG 3.48Å; G74-S77 WeakPolarHBondContact O-CB 3.24Å; G74-S77 PolarHBondContact O-N 2.98Å; G74-S77 VanDerWaalsContact O-N 3.16Å; S77-K79 PolarHBondContact O-N 2.87Å; S77-K79 WeakPolarHBondContact OG-CB 3.37Å; S77-K79 PolarHBondContact OG-N 2.88Å; S77-K79 VanDerWaalsContact OG-N 3.14Å; S77-T80 PolarHBondContact O-N 3.46Å; S77-T80 PolarHBondContact O-OG1 3.48Å; S77-T80 VanDerWaalsContact O-OG1 3.06Å | ||
| 78 | S | 94 | Very high | 94.8 | Very high | 102 Ų | 102 | 64.8 Ų | 64.8 | 71% | 0.713 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -65 | -23.9 | 170.8 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | T80 Y81 | S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.08Å; S78-Y81 WeakPolarHBondContact O-CB 3.39Å; S78-Y81 PolarHBondContact O-N 2.74Å |
| 79 | K | 92.6 | Very high | 94.8 | Very high | 124 Ų | 124 | 67.2 Ų | 67.2 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -63.9 | -34.5 | 177.8 | -63 | -175.1 | 179.5 | 177.5 | 0 | 111.9 | L73 S77 | L73-K79 HydrophobicContact CD2-CB 4.09Å; L73-K79 HydrophobicContact CD2-CD 4.45Å; S77-K79 PolarHBondContact O-N 2.87Å; S77-K79 WeakPolarHBondContact OG-CB 3.37Å; S77-K79 PolarHBondContact OG-N 2.88Å; S77-K79 VanDerWaalsContact OG-N 3.14Å |
| 80 | T | 94 | Very high | 94.8 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 10% | 0.104 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -90.5 | -5 | -178.8 | 57.1 | 0 | 0 | 0 | 0 | 114 | L68 L73 G74 S77 S78 G82 I83 | L68-T80 HydrophobicContact CB-CG2 4.43Å; L68-T80 HydrophobicContact CD1-CG2 3.95Å; L73-T80 HydrophobicContact CB-CG2 3.92Å; L73-T80 HydrophobicContact CD2-CG2 4.04Å; L73-T80 WeakPolarHBondContact O-CG2 3.18Å; G74-T80 PolarHBondContact O-OG1 3.44Å; G74-T80 VanDerWaalsContact O-OG1 3.04Å; S77-T80 PolarHBondContact O-N 3.46Å; S77-T80 PolarHBondContact O-OG1 3.48Å; S77-T80 VanDerWaalsContact O-OG1 3.06Å; S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.08Å; T80-G82 PolarHBondContact O-N 2.94Å; T80-I83 HydrophobicContact CG2-CD1 4.2Å; T80-I83 WeakPolarHBondContact O-CB 3.3Å; T80-I83 WeakPolarHBondContact O-CG1 3.28Å; T80-I83 PolarHBondContact O-N 3.32Å |
| 81 | Y | 93.2 | Very high | 94.8 | Very high | 189 Ų | 189 | 71.2 Ų | 71.2 | 74% | 0.741 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 131.5 | 176.2 | -174.1 | -97.1 | 0 | 0 | 0 | 111.3 | S78 I83 K171 | S78-Y81 WeakPolarHBondContact O-CB 3.39Å; S78-Y81 PolarHBondContact O-N 2.74Å; Y81-I83 VanDerWaalsContact C-N 3.29Å; Y81-I83 PolarHBondContact O-N 3.39Å; Y81-K171 WeakPolarHBondContact O-CE 3.5Å; Y81-K171 PolarHBondContact O-NZ 3.43Å |
| 82 | G | 94.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 67.3 Ų | 67.3 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -4.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T80 K84 | T80-G82 PolarHBondContact O-N 2.94Å; G82-K84 PolarHBondContact O-N 3.1Å |
| 83 | I | 96.6 | Very high | 94.9 | Very high | 28 Ų | 28 | 69.9 Ų | 69.9 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | trans | -66.9 | 131 | 175.8 | -63.8 | -177.1 | 0 | 0 | 0 | 109.9 | L68 T80 Y81 P169 I170 K171 V176 | L68-I83 HydrophobicContact CD1-CB 4.44Å; L68-I83 HydrophobicContact CD1-CD1 4.06Å; L68-I83 HydrophobicContact CD1-CG2 4.07Å; T80-I83 HydrophobicContact CG2-CD1 4.2Å; T80-I83 WeakPolarHBondContact O-CB 3.3Å; T80-I83 WeakPolarHBondContact O-CG1 3.28Å; T80-I83 PolarHBondContact O-N 3.32Å; Y81-I83 VanDerWaalsContact C-N 3.29Å; Y81-I83 PolarHBondContact O-N 3.39Å; I83-P169 HydrophobicContact CG2-CB 3.87Å; I83-I170 WeakPolarHBondContact CA-O 3.28Å; I83-K171 HydrophobicContact CG1-CB 4.39Å; I83-K171 HydrophobicContact CG1-CD 4.41Å; I83-V176 HydrophobicContact CD1-CG1 4.21Å; I83-V176 HydrophobicContact CD1-CG2 4.25Å; I83-V176 HydrophobicContact CG1-CG2 4.26Å | ||
| 84 | K | 97 | Very high | 95 | Very high | 142 Ų | 142 | 72.9 Ų | 72.9 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 149 | 173 | -63.7 | 179.1 | -176.8 | 176.9 | 0 | 109 | G82 I170 | G82-K84 PolarHBondContact O-N 3.1Å; K84-I170 PolarHBondContact N-O 3Å; K84-I170 PolarHBondContact O-N 2.86Å |
| 85 | W | 98 | Very high | 95.2 | Very high | 40 Ų | 40 | 73.2 Ų | 73.2 | 15% | 0.152 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.7 | 174.2 | -67.4 | 80.6 | 0 | 0 | 0 | 109.2 | F61 P63 L68 L167 L168 P169 Y202 | F61-W85 HydrophobicContact CE1-CH2 4.45Å; P63-W85 HydrophobicContact CB-CB 3.6Å; P63-W85 HydrophobicContact CB-CD2 3.52Å; P63-W85 HydrophobicContact CB-CE3 3.95Å; P63-W85 HydrophobicContact CB-CG 3.36Å; L68-W85 HydrophobicContact CD2-CH2 4.25Å; L68-W85 HydrophobicContact CD2-CZ2 3.64Å; L68-W85 HydrophobicContact CG-CZ2 4.01Å; W85-L167 HydrophobicContact CB-CB 4.33Å; W85-L167 HydrophobicContact CB-CD2 4.46Å; W85-L167 HydrophobicContact CE3-CB 4.07Å; W85-L167 WeakPolarHBondContact CZ3-O 3.48Å; W85-L168 WeakPolarHBondContact CA-O 3.44Å; W85-P169 HydrophobicContact CD2-CG 4.31Å; W85-P169 HydrophobicContact CE3-CG 4.06Å; W85-P169 HydrophobicContact CH2-CG 3.79Å; W85-P169 HydrophobicContact CZ2-CG 4.02Å; W85-P169 HydrophobicContact CZ3-CG 3.79Å; W85-Y202 AromaticContact CH2-CE2 3.95Å; W85-Y202 HydrophobicContact CH2-CE2 3.95Å; W85-Y202 HydrophobicContact CZ3-CE2 4.47Å |
| 86 | K | 98.1 | Very high | 95.4 | Very high | 74 Ų | 74 | 72.2 Ų | 72.2 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 148 | 178.4 | -71.7 | -169.1 | 163.6 | -161 | 0 | 110.9 | E90 L91 L168 I170 | K86-E90 HydrophobicContact CB-CB 4.45Å; K86-L91 HydrophobicContact CB-CD2 4.24Å; K86-L91 HydrophobicContact CB-CG 4.39Å; K86-L91 HydrophobicContact CD-CD2 3.64Å; K86-L168 PolarHBondContact N-O 3.4Å; K86-L168 PolarHBondContact O-N 3.35Å; K86-I170 HydrophobicContact CB-CG1 4Å |
| 87 | R | 98.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 64.8 Ų | 64.8 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | trans | -78.8 | 152.3 | 171.6 | -55.9 | -175.1 | -174.3 | -98 | 0.4 | 110.7 | F56 T89 E90 G147 D166 L167 | F56-R87 PolarHBondContact O-NH1 2.79Å; F56-R87 VanDerWaalsContact O-NH1 3.1Å; F56-R87 PolarHBondContact O-NH2 3.43Å; R87-T89 PolarHBondContact O-N 2.93Å; R87-T89 VanDerWaalsContact O-N 3.17Å; R87-E90 HydrophobicContact CB-CG 4.31Å; R87-E90 PolarHBondContact N-OE1 3.49Å; R87-E90 WeakPolarHBondContact O-CB 3.33Å; R87-E90 PolarHBondContact O-N 2.85Å; R87-G147 PolarHBondContact NH1-O 3.08Å; R87-D166 WeakPolarHBondContact CA-O 3.44Å; R87-D166 WeakPolarHBondContact CD-OD1 3.35Å; R87-D166 WeakPolarHBondContact CG-OD1 3.18Å; R87-D166 IonicContact CZ-OD1 2.72Å; R87-D166 IonicContact NE-OD1 2.75Å; R87-D166 IonicContact NH1-OD1 2.94Å; R87-D166 PolarHBondContact NH1-OD1 2.93Å; R87-L167 HydrophobicContact CG-CD2 3.6Å; R87-L167 HydrophobicContact CG-CG 4.03Å | ||
| 88 | P | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -50.2 | -36.9 | 170.3 | -33.1 | 38.5 | 0 | 0 | 0 | 113.8 | E90 L91 L92 P95 F141 D166 L168 F186 | P88-E90 PolarHBondContact O-N 3.02Å; P88-L91 PolarHBondContact O-N 3.26Å; P88-L92 PolarHBondContact O-N 3.04Å; P88-P95 HydrophobicContact CB-CB 3.58Å; P88-P95 HydrophobicContact CB-CG 4.15Å; P88-F141 HydrophobicContact CB-CD1 4.47Å; P88-F141 HydrophobicContact CB-CE1 3.79Å; P88-F141 HydrophobicContact CB-CZ 3.97Å; P88-F141 HydrophobicContact CG-CE1 3.73Å; P88-F141 HydrophobicContact CG-CZ 3.72Å; P88-D166 WeakPolarHBondContact CD-O 3.15Å; P88-L168 HydrophobicContact CG-CD1 4.16Å; P88-F186 HydrophobicContact CB-CD1 4.02Å; P88-F186 HydrophobicContact CB-CD2 3.82Å; P88-F186 HydrophobicContact CB-CE1 3.92Å; P88-F186 HydrophobicContact CB-CE2 3.74Å; P88-F186 HydrophobicContact CB-CG 3.97Å; P88-F186 HydrophobicContact CB-CZ 3.79Å; P88-F186 HydrophobicContact CG-CB 4.3Å; P88-F186 HydrophobicContact CG-CD1 3.61Å; P88-F186 HydrophobicContact CG-CD2 4.12Å; P88-F186 HydrophobicContact CG-CE1 3.89Å; P88-F186 HydrophobicContact CG-CE2 4.39Å; P88-F186 HydrophobicContact CG-CG 3.74Å; P88-F186 HydrophobicContact CG-CZ 4.28Å |
| 89 | T | 97 | Very high | 95.6 | Very high | 56 Ų | 56 | 63 Ų | 63 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.9 | -17.1 | 177.1 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | R87 P95 F141 Y145 | R87-T89 PolarHBondContact O-N 2.93Å; R87-T89 VanDerWaalsContact O-N 3.17Å; T89-P95 HydrophobicContact CG2-CG 3.75Å; T89-F141 HydrophobicContact CG2-CD1 4.27Å; T89-Y145 HydrophobicContact CG2-CE1 3.96Å; T89-Y145 PolarHBondContact OG1-OH 3.25Å |
| 90 | E | 96.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 65.3 Ų | 65.3 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -90.2 | -13 | 173 | -61.8 | 174.8 | -109 | 0 | 0 | 113 | K86 R87 P88 | K86-E90 HydrophobicContact CB-CB 4.45Å; R87-E90 HydrophobicContact CB-CG 4.31Å; R87-E90 PolarHBondContact N-OE1 3.49Å; R87-E90 WeakPolarHBondContact O-CB 3.33Å; R87-E90 PolarHBondContact O-N 2.85Å; P88-E90 PolarHBondContact O-N 3.02Å |
| 91 | L | 93.8 | Very high | 95 | Very high | 55 Ų | 55 | 66.1 Ų | 66.1 | 29% | 0.288 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -101.8 | -38.1 | -176.2 | -60.7 | 173.6 | 0 | 0 | 0 | 111.5 | K86 P88 I170 | K86-L91 HydrophobicContact CB-CD2 4.24Å; K86-L91 HydrophobicContact CB-CG 4.39Å; K86-L91 HydrophobicContact CD-CD2 3.64Å; P88-L91 PolarHBondContact O-N 3.26Å; L91-I170 HydrophobicContact CD1-CD1 3.57Å; L91-I170 HydrophobicContact CD1-CG1 4.01Å; L91-I170 HydrophobicContact CD2-CG1 4.36Å |
| 92 | L | 94.4 | Very high | 94.8 | Very high | 68 Ų | 68 | 57.6 Ų | 57.6 | 36% | 0.356 | 32% | 0.32 | S | S | . | . | trans | -136.3 | 151 | -172.8 | -61.6 | 167.2 | 0 | 0 | 0 | 110.7 | P88 G183 N184 F186 | P88-L92 PolarHBondContact O-N 3.04Å; L92-G183 WeakPolarHBondContact CD1-O 3.38Å; L92-N184 HydrophobicContact CD1-CB 4.01Å; L92-F186 HydrophobicContact CD1-CE2 3.85Å; L92-F186 HydrophobicContact CD1-CZ 3.66Å | ||
| 93 | S | 93.1 | Very high | 94.7 | Very high | 134 Ų | 134 | 57.9 Ų | 57.9 | 94% | 0.937 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -74.4 | -24.1 | 178.6 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 94 | N | 95.9 | Very high | 94.3 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -141.2 | 67.9 | -177.9 | -172.8 | 37.6 | 0 | 0 | 0 | 111.9 | Q96 Q142 | N94-Q96 PolarHBondContact ND2-NE2 3.49Å; N94-Q96 VanDerWaalsContact ND2-NE2 3.16Å; N94-Q96 PolarHBondContact OD1-NE2 3Å; N94-Q142 PolarHBondContact OD1-NE2 3.16Å; N94-Q142 VanDerWaalsContact OD1-NE2 3.09Å |
| 95 | P | 97.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | trans | -65.3 | 141.7 | 173.9 | 29.4 | -34.2 | 0 | 0 | 0 | 110.4 | P88 T89 F141 Q142 F186 | P88-P95 HydrophobicContact CB-CB 3.58Å; P88-P95 HydrophobicContact CB-CG 4.15Å; T89-P95 HydrophobicContact CG2-CG 3.75Å; P95-F141 HydrophobicContact CB-CB 4.47Å; P95-F141 HydrophobicContact CB-CD1 4.26Å; P95-F141 HydrophobicContact CB-CD2 4.13Å; P95-F141 HydrophobicContact CB-CE2 4.44Å; P95-F141 HydrophobicContact CB-CG 4.04Å; P95-F141 HydrophobicContact CG-CB 3.95Å; P95-F141 HydrophobicContact CG-CD1 4Å; P95-F141 HydrophobicContact CG-CD2 4.47Å; P95-F141 HydrophobicContact CG-CG 3.9Å; P95-F141 WeakPolarHBondContact O-CB 3.33Å; P95-Q142 PolarHBondContact O-NE2 3.27Å; P95-F186 HydrophobicContact CB-CD2 3.94Å; P95-F186 HydrophobicContact CB-CE2 3.7Å | ||
| 96 | Q | 97 | Very high | 93.5 | Very high | 44 Ų | 44 | 53 Ų | 53 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -116.2 | 145.6 | 177.2 | -64.5 | -61.1 | -33.1 | 0 | 0 | 109.1 | N94 V99 F141 N184 E185 F186 | N94-Q96 PolarHBondContact ND2-NE2 3.49Å; N94-Q96 VanDerWaalsContact ND2-NE2 3.16Å; N94-Q96 PolarHBondContact OD1-NE2 3Å; Q96-V99 HydrophobicContact CB-CG2 3.39Å; Q96-V99 HydrophobicContact CG-CG2 3.75Å; Q96-F141 VanDerWaalsContact C-CD2 3.46Å; Q96-F141 WeakPolarHBondContact O-CE2 3.21Å; Q96-N184 PolarHBondContact N-O 2.92Å; Q96-E185 WeakPolarHBondContact O-CA 3.19Å; Q96-F186 PolarHBondContact O-N 3.39Å; Q96-F186 VanDerWaalsContact O-N 3.14Å |
| 97 | F | 97.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -74.6 | -55.1 | 173.7 | -175 | -114.8 | 0 | 0 | 0 | 109.1 | V135 Q139 F141 F149 F151 E185 F186 W187 L190 | F97-V135 HydrophobicContact CE1-CG1 3.66Å; F97-V135 HydrophobicContact CZ-CG1 3.79Å; F97-Q139 HydrophobicContact CD1-CB 3.73Å; F97-Q139 HydrophobicContact CE1-CB 3.68Å; F97-Q139 HydrophobicContact CE1-CG 4.38Å; F97-Q139 HydrophobicContact CE2-CB 4.49Å; F97-Q139 HydrophobicContact CG-CB 4.17Å; F97-Q139 HydrophobicContact CZ-CB 4.08Å; F97-F141 HydrophobicContact CB-CD2 4.21Å; F97-F141 HydrophobicContact CB-CE2 4.17Å; F97-F141 HydrophobicContact CD2-CE2 4.4Å; F97-F149 HydrophobicContact CB-CE1 4.4Å; F97-F149 AromaticContact CD2-CD1 3.57Å; F97-F149 HydrophobicContact CD2-CD1 3.57Å; F97-F149 AromaticContact CD2-CE1 3.39Å; F97-F149 HydrophobicContact CD2-CE1 3.39Å; F97-F149 HydrophobicContact CD2-CZ 4.32Å; F97-F149 AromaticContact CE2-CD1 3.47Å; F97-F149 HydrophobicContact CE2-CD1 3.47Å; F97-F149 VanDerWaalsContact CE2-CD1 3.47Å; F97-F149 AromaticContact CE2-CE1 3.83Å; F97-F149 HydrophobicContact CE2-CE1 3.83Å; F97-F149 HydrophobicContact CE2-CG 4.3Å; F97-F149 HydrophobicContact CG-CD1 4.41Å; F97-F149 HydrophobicContact CG-CE1 4.02Å; F97-F149 HydrophobicContact CZ-CD1 4.23Å; F97-F151 HydrophobicContact CE2-CZ 4.11Å; F97-F151 HydrophobicContact CZ-CE1 4.06Å; F97-F151 HydrophobicContact CZ-CZ 4.02Å; F97-E185 WeakPolarHBondContact O-CG 3.4Å; F97-F186 PolarHBondContact O-N 3.45Å; F97-W187 HydrophobicContact CD1-CB 4.32Å; F97-W187 HydrophobicContact CD2-CB 4.06Å; F97-W187 HydrophobicContact CE1-CB 4.04Å; F97-W187 HydrophobicContact CE2-CB 3.77Å; F97-W187 HydrophobicContact CG-CB 4.33Å; F97-W187 HydrophobicContact CZ-CB 3.77Å; F97-W187 VanDerWaalsContact O-CB 3.27Å; F97-W187 WeakPolarHBondContact O-CB 3.38Å; F97-W187 PolarHBondContact O-N 3.08Å; F97-L190 HydrophobicContact CD2-CD1 4.1Å; F97-L190 HydrophobicContact CE2-CD1 3.93Å |
| 98 | I | 95.3 | Very high | 92.9 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -132.1 | 138.3 | 174.8 | -65.9 | 171.3 | 0 | 0 | 0 | 108 | G101 A102 V135 E185 W187 | I98-G101 VanDerWaalsContact CG2-C 3.42Å; I98-A102 HydrophobicContact CD1-CB 4.01Å; I98-A102 HydrophobicContact CG1-CB 4.18Å; I98-A102 HydrophobicContact CG2-CB 3.95Å; I98-V135 HydrophobicContact CD1-CG1 4.27Å; I98-E185 VanDerWaalsContact CA-OE1 3.26Å; I98-E185 WeakPolarHBondContact CA-OE1 3.44Å; I98-W187 HydrophobicContact CD1-CB 4.48Å; I98-W187 HydrophobicContact CD1-CG 4.43Å; I98-W187 HydrophobicContact CG1-CB 3.82Å; I98-W187 HydrophobicContact CG1-CG 3.75Å |
| 99 | V | 89.6 | Confident | 92.6 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 22% | 0.218 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -115.9 | 118.8 | 178 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | Q96 G101 E182 E185 | Q96-V99 HydrophobicContact CB-CG2 3.39Å; Q96-V99 HydrophobicContact CG-CG2 3.75Å; V99-G101 PolarHBondContact O-N 3.02Å; V99-G101 VanDerWaalsContact O-O 3.05Å; V99-E182 HydrophobicContact CG1-CG 4.43Å; V99-E182 HydrophobicContact CG2-CG 4.48Å; V99-E185 HydrophobicContact CG2-CB 3.97Å; V99-E185 HydrophobicContact CG2-CG 4.26Å; V99-E185 PolarHBondContact N-OE1 3.45Å |
| 100 | D | 85.3 | Confident | 92.4 | Very high | 172 Ų | 172 | 48.7 Ų | 48.7 | 92% | 0.92 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 53.4 | 25 | 177.2 | -63.3 | -28.5 | 0 | 0 | 0 | 116.1 | ||
| 101 | G | 88.7 | Confident | 92.1 | Very high | 35 Ų | 35 | 47.7 Ų | 47.7 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 101.2 | 146.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I98 V99 T103 | I98-G101 VanDerWaalsContact CG2-C 3.42Å; V99-G101 PolarHBondContact O-N 3.02Å; V99-G101 VanDerWaalsContact O-O 3.05Å; G101-T103 PolarHBondContact O-N 2.89Å |
| 102 | A | 90.4 | Very high | 92 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | trans | -84 | 115.6 | -178 | 0 | 0 | 0 | 0 | 0 | 109.6 | I98 D106 L131 W187 | I98-A102 HydrophobicContact CD1-CB 4.01Å; I98-A102 HydrophobicContact CG1-CB 4.18Å; I98-A102 HydrophobicContact CG2-CB 3.95Å; A102-D106 VanDerWaalsContact CA-OD2 3.27Å; A102-D106 WeakPolarHBondContact CA-OD2 3.34Å; A102-L131 HydrophobicContact CB-CD2 3.53Å; A102-W187 HydrophobicContact CB-CD2 4.18Å; A102-W187 HydrophobicContact CB-CH2 4.45Å; A102-W187 HydrophobicContact CB-CZ2 3.72Å | ||
| 103 | T | 91.3 | Very high | 91.8 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | trans | -121.2 | 168.1 | -172.7 | 80.4 | 0 | 0 | 0 | 0 | 112 | G101 T105 D106 | G101-T103 PolarHBondContact O-N 2.89Å; T103-T105 PolarHBondContact O-N 3.15Å; T103-T105 PolarHBondContact OG1-N 3.28Å; T103-T105 PolarHBondContact OG1-OG1 3.09Å; T103-D106 PolarHBondContact N-OD2 3.06Å; T103-D106 WeakPolarHBondContact O-CB 3.38Å; T103-D106 PolarHBondContact O-N 3.36Å; T103-D106 PolarHBondContact OG1-OD1 3.44Å | ||
| 104 | R | 88.7 | Confident | 91.8 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 21% | 0.211 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -62.9 | -26.4 | 178.3 | 61.5 | -162.3 | 177.5 | -69.1 | -7.3 | 113.1 | D106 I107 A122 T125 R295 E333 | R104-D106 PolarHBondContact O-N 2.82Å; R104-I107 WeakPolarHBondContact O-CB 3.44Å; R104-I107 PolarHBondContact O-N 3.07Å; R104-A122 HydrophobicContact CB-CB 4.04Å; R104-T125 WeakPolarHBondContact CA-OG1 3.45Å; R104-T125 WeakPolarHBondContact CB-OG1 3.42Å; R104-T125 PolarHBondContact N-OG1 3.27Å; R104-R295 PolarHBondContact O-NE 2.84Å; R104-R295 PolarHBondContact O-NH1 3.45Å; R104-R295 PolarHBondContact O-NH2 2.88Å; R104-E333 IonicContact CZ-OE1 2.71Å; R104-E333 IonicContact CZ-OE2 3.38Å; R104-E333 VanDerWaalsContact NE-CD 3.32Å; R104-E333 IonicContact NE-OE1 3.51Å; R104-E333 PolarHBondContact NE-OE1 3.35Å; R104-E333 IonicContact NE-OE2 3.48Å; R104-E333 PolarHBondContact NE-OE2 3.31Å; R104-E333 IonicContact NH2-OE1 3.38Å; R104-E333 IonicContact NH2-OE2 3.47Å; R104-E333 PolarHBondContact NH2-OE2 3.32Å |
| 105 | T | 87.6 | Confident | 91.8 | Very high | 44 Ų | 44 | 33.5 Ų | 33.5 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -69.4 | -13.7 | 178.2 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | T103 I107 A181 D331 | T103-T105 PolarHBondContact O-N 3.15Å; T103-T105 PolarHBondContact OG1-N 3.28Å; T103-T105 PolarHBondContact OG1-OG1 3.09Å; T105-I107 PolarHBondContact O-N 3.35Å; T105-A181 PolarHBondContact O-N 3.3Å; T105-D331 HydrophobicContact CG2-CB 4.32Å |
| 106 | D | 90.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.032 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -76.3 | -0.2 | 176.9 | -38.7 | -3.3 | 0 | 0 | 0 | 112.3 | A102 T103 R104 H179 S180 E185 W187 S188 | A102-D106 VanDerWaalsContact CA-OD2 3.27Å; A102-D106 WeakPolarHBondContact CA-OD2 3.34Å; T103-D106 PolarHBondContact N-OD2 3.06Å; T103-D106 WeakPolarHBondContact O-CB 3.38Å; T103-D106 PolarHBondContact O-N 3.36Å; T103-D106 PolarHBondContact OG1-OD1 3.44Å; R104-D106 PolarHBondContact O-N 2.82Å; D106-H179 CarbonylContact O-C 3.57Å; D106-H179 VanDerWaalsContact O-O 3.12Å; D106-S180 WeakPolarHBondContact CA-OG 3.45Å; D106-S180 VanDerWaalsContact O-CA 3.28Å; D106-S180 WeakPolarHBondContact O-CA 3.41Å; D106-S180 PolarHBondContact O-N 3.27Å; D106-E185 VanDerWaalsContact CB-OE2 3.31Å; D106-E185 WeakPolarHBondContact CB-OE2 3.23Å; D106-W187 HydrophobicContact CB-CZ2 4.1Å; D106-W187 PolarHBondContact OD2-NE1 2.84Å; D106-S188 WeakPolarHBondContact O-CB 3.46Å; D106-S188 PolarHBondContact O-OG 3.04Å |
| 107 | I | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -117.2 | 94 | -175 | -45.1 | -57.4 | 0 | 0 | 0 | 109.2 | R104 T105 L118 I121 A122 V178 W187 R295 | R104-I107 WeakPolarHBondContact O-CB 3.44Å; R104-I107 PolarHBondContact O-N 3.07Å; T105-I107 PolarHBondContact O-N 3.35Å; I107-L118 HydrophobicContact CG2-CB 3.71Å; I107-L118 HydrophobicContact CG2-CD2 4.24Å; I107-L118 HydrophobicContact CG2-CG 4.38Å; I107-I121 HydrophobicContact CD1-CB 4.23Å; I107-I121 HydrophobicContact CD1-CG2 3.4Å; I107-I121 HydrophobicContact CG1-CG2 4.01Å; I107-A122 HydrophobicContact CB-CB 4.47Å; I107-A122 HydrophobicContact CG1-CB 4.34Å; I107-V178 HydrophobicContact CG2-CG2 4.01Å; I107-W187 HydrophobicContact CD1-CH2 3.91Å; I107-W187 HydrophobicContact CD1-CZ2 3.94Å; I107-R295 PolarHBondContact O-NH1 3.4Å; I107-R295 PolarHBondContact O-NH2 2.94Å | ||
| 108 | C | 91.9 | Very high | 91.6 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -117.7 | 119.6 | 169.6 | -65 | 0 | 0 | 0 | 0 | 109.5 | V178 H179 P297 | C108-V178 WeakPolarHBondContact O-CA 3.37Å; C108-H179 WeakPolarHBondContact CB-O 3.43Å; C108-H179 PolarHBondContact N-O 3.35Å; C108-H179 PolarHBondContact O-N 2.97Å; C108-H179 VanDerWaalsContact O-N 3.16Å; C108-H179 PolarHBondContact O-ND1 3.29Å; C108-P297 WeakPolarHBondContact CA-O 3.49Å |
| 109 | Q | 91.9 | Very high | 91.6 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | trans | -62 | 136.7 | -178.7 | -169.4 | 171.1 | -24.1 | 0 | 0 | 112.2 | L112 L118 H272 P297 W298 | Q109-L112 PolarHBondContact NE2-O 2.94Å; Q109-L118 VanDerWaalsContact CA-CD1 3.41Å; Q109-L118 HydrophobicContact CB-CD1 3.44Å; Q109-L118 VanDerWaalsContact CB-CD1 3.44Å; Q109-L118 HydrophobicContact CG-CD1 3.52Å; Q109-H272 PolarHBondContact OE1-CE1 2.97Å; Q109-P297 PolarHBondContact N-O 2.88Å; Q109-W298 VanDerWaalsContact OE1-NE1 3.08Å | ||
| 110 | G | 92.5 | Very high | 91.9 | Very high | 25 Ų | 25 | 26.7 Ų | 26.7 | 26% | 0.258 | 18% | 0.176 | S | C | . | . | trans | -92 | -145.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L112 V176 F177 | G110-L112 VanDerWaalsContact C-N 3.25Å; G110-L112 PolarHBondContact O-N 3.45Å; G110-V176 CarbonylContact C-O 3.42Å; G110-V176 WeakPolarHBondContact CA-O 3.43Å; G110-F177 WeakPolarHBondContact CA-O 2.87Å | ||
| 111 | A | 90.1 | Very high | 92.5 | Very high | 83 Ų | 83 | 18.5 Ų | 18.5 | 69% | 0.686 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -84.5 | 14.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V176 | A111-V176 HydrophobicContact CB-CG1 4.25Å; A111-V176 PolarHBondContact N-O 3.11Å |
| 112 | L | 91.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -104.9 | 138.3 | 179.1 | -175.3 | 59 | 0 | 0 | 0 | 110.1 | L73 Q109 G110 D114 F177 Y202 L205 | L73-L112 HydrophobicContact CD1-CD1 3.8Å; Q109-L112 PolarHBondContact NE2-O 2.94Å; G110-L112 VanDerWaalsContact C-N 3.25Å; G110-L112 PolarHBondContact O-N 3.45Å; L112-D114 HydrophobicContact CD2-CB 4.16Å; L112-D114 WeakPolarHBondContact CD2-OD2 3.34Å; L112-D114 HydrophobicContact CG-CB 3.97Å; L112-D114 PolarHBondContact O-N 3.16Å; L112-F177 HydrophobicContact CB-CD1 3.6Å; L112-F177 HydrophobicContact CB-CE1 3.88Å; L112-F177 HydrophobicContact CD2-CD1 4.22Å; L112-F177 HydrophobicContact CD2-CE1 4.33Å; L112-F177 HydrophobicContact CG-CD1 4.49Å; L112-Y202 HydrophobicContact CD2-CD1 4.1Å; L112-L205 HydrophobicContact CD2-CB 4.23Å; L112-L205 HydrophobicContact CD2-CD1 4.48Å |
| 113 | G | 90.8 | Very high | 92.9 | Very high | 24 Ų | 24 | 16.5 Ų | 16.5 | 25% | 0.247 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -82.8 | 51 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S206 G207 | G113-S206 WeakPolarHBondContact O-CA 3.42Å; G113-G207 PolarHBondContact O-N 3.02Å |
| 114 | D | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -114.4 | 29.1 | -178 | 66.7 | -24.1 | 0 | 0 | 0 | 112.5 | L112 W116 L117 L118 L205 | L112-D114 HydrophobicContact CD2-CB 4.16Å; L112-D114 WeakPolarHBondContact CD2-OD2 3.34Å; L112-D114 HydrophobicContact CG-CB 3.97Å; L112-D114 PolarHBondContact O-N 3.16Å; D114-W116 PolarHBondContact O-N 3.12Å; D114-L117 HydrophobicContact CB-CB 4.37Å; D114-L117 WeakPolarHBondContact O-CA 3.34Å; D114-L117 VanDerWaalsContact O-CB 3.32Å; D114-L117 WeakPolarHBondContact O-CB 3.3Å; D114-L117 PolarHBondContact O-N 3.3Å; D114-L118 PolarHBondContact O-N 3.16Å; D114-L205 HydrophobicContact CB-CB 4Å | ||
| 115 | C | 94.4 | Very high | 93.2 | Very high | 12 Ų | 12 | 12 Ų | 12 | 8% | 0.081 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -46.1 | -35.2 | 175.6 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | L117 L118 A119 H272 P297 | C115-L117 VanDerWaalsContact C-N 3.33Å; C115-L117 PolarHBondContact O-N 3Å; C115-L118 PolarHBondContact O-N 2.86Å; C115-A119 WeakPolarHBondContact O-CB 3.06Å; C115-A119 PolarHBondContact O-N 3.38Å; C115-H272 WeakPolarHBondContact CB-CE1 3.45Å; C115-H272 WeakPolarHBondContact CB-ND1 3.28Å; C115-H272 PolarHBondContact SG-ND1 3.25Å; C115-H272 VanDerWaalsContact SG-ND1 3.36Å; C115-P297 HydrophobicContact CB-CG 4.26Å |
| 116 | W | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.2 | -40.4 | 175.3 | 69 | -88.5 | 0 | 0 | 0 | 112.8 | D114 A120 Y195 L205 G208 T210 E212 A273 R429 | D114-W116 PolarHBondContact O-N 3.12Å; W116-A120 PolarHBondContact O-N 2.51Å; W116-Y195 AromaticContact CH2-CE1 3.7Å; W116-Y195 HydrophobicContact CH2-CE1 3.7Å; W116-Y195 AromaticContact CH2-CZ 3.99Å; W116-Y195 HydrophobicContact CZ2-CE1 4.37Å; W116-L205 PolarHBondContact NE1-O 3.12Å; W116-G208 WeakPolarHBondContact CB-O 3.45Å; W116-G208 VanDerWaalsContact CD1-N 3.28Å; W116-G208 VanDerWaalsContact CG-C 3.49Å; W116-T210 WeakPolarHBondContact O-CG2 3.28Å; W116-E212 HydrophobicContact CE3-CB 4.14Å; W116-E212 HydrophobicContact CH2-CB 4.21Å; W116-E212 HydrophobicContact CZ3-CB 3.57Å; W116-A273 HydrophobicContact CB-CB 4.26Å; W116-R429 VanDerWaalsContact CZ2-CZ 3.46Å |
| 117 | L | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.2 | -44 | 177.3 | -179 | 64.6 | 0 | 0 | 0 | 109.8 | D114 C115 A120 I121 E192 Y195 L205 F217 | D114-L117 HydrophobicContact CB-CB 4.37Å; D114-L117 WeakPolarHBondContact O-CA 3.34Å; D114-L117 VanDerWaalsContact O-CB 3.32Å; D114-L117 WeakPolarHBondContact O-CB 3.3Å; D114-L117 PolarHBondContact O-N 3.3Å; C115-L117 VanDerWaalsContact C-N 3.33Å; C115-L117 PolarHBondContact O-N 3Å; L117-A120 CarbonylContact O-C 3.5Å; L117-A120 WeakPolarHBondContact O-CA 3.36Å; L117-A120 VanDerWaalsContact O-CB 3.31Å; L117-A120 WeakPolarHBondContact O-CB 3.44Å; L117-A120 PolarHBondContact O-N 2.82Å; L117-I121 HydrophobicContact CG-CD1 4.2Å; L117-I121 WeakPolarHBondContact O-CG1 3.26Å; L117-I121 PolarHBondContact O-N 3.1Å; L117-E192 HydrophobicContact CD2-CG 4.42Å; L117-Y195 HydrophobicContact CD1-CD1 3.8Å; L117-Y195 HydrophobicContact CD1-CD2 4.17Å; L117-Y195 HydrophobicContact CD1-CE1 3.75Å; L117-Y195 HydrophobicContact CD1-CE2 4.13Å; L117-Y195 HydrophobicContact CD1-CG 4.03Å; L117-Y195 HydrophobicContact CD2-CD1 3.52Å; L117-Y195 HydrophobicContact CD2-CE1 4.09Å; L117-Y195 HydrophobicContact CD2-CG 4.02Å; L117-Y195 HydrophobicContact CG-CD1 4.32Å; L117-L205 HydrophobicContact CD2-CD1 3.88Å; L117-F217 HydrophobicContact CD1-CE1 4.49Å; L117-F217 HydrophobicContact CD1-CE2 3.97Å; L117-F217 HydrophobicContact CD1-CZ 3.51Å; L117-F217 HydrophobicContact CG-CZ 4.49Å |
| 118 | L | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.6 | -40.3 | -177.7 | -58 | -169.2 | 0 | 0 | 0 | 112.4 | I107 Q109 D114 C115 A120 I121 A122 V178 P297 | I107-L118 HydrophobicContact CG2-CB 3.71Å; I107-L118 HydrophobicContact CG2-CD2 4.24Å; I107-L118 HydrophobicContact CG2-CG 4.38Å; Q109-L118 VanDerWaalsContact CA-CD1 3.41Å; Q109-L118 HydrophobicContact CB-CD1 3.44Å; Q109-L118 VanDerWaalsContact CB-CD1 3.44Å; Q109-L118 HydrophobicContact CG-CD1 3.52Å; D114-L118 PolarHBondContact O-N 3.16Å; C115-L118 PolarHBondContact O-N 2.86Å; L118-A120 PolarHBondContact O-N 2.77Å; L118-I121 HydrophobicContact CD2-CD1 4.19Å; L118-I121 PolarHBondContact O-N 2.91Å; L118-A122 WeakPolarHBondContact O-CB 3.17Å; L118-A122 PolarHBondContact O-N 3.07Å; L118-V178 HydrophobicContact CD1-CB 4.31Å; L118-V178 HydrophobicContact CD1-CG2 4.14Å; L118-V178 HydrophobicContact CD2-CB 3.81Å; L118-V178 HydrophobicContact CD2-CG1 4.39Å; L118-V178 HydrophobicContact CD2-CG2 3.72Å; L118-P297 HydrophobicContact CB-CB 3.75Å |
| 119 | A | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -36.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C115 S123 T210 A273 S275 P297 | C115-A119 WeakPolarHBondContact O-CB 3.06Å; C115-A119 PolarHBondContact O-N 3.38Å; A119-S123 PolarHBondContact O-N 3.42Å; A119-S123 PolarHBondContact O-OG 3.33Å; A119-T210 HydrophobicContact CB-CG2 4Å; A119-A273 HydrophobicContact CB-CB 3.77Å; A119-S275 WeakPolarHBondContact CA-OG 3.42Å; A119-S275 PolarHBondContact O-OG 3.47Å; A119-P297 HydrophobicContact CB-CG 4.29Å |
| 120 | A | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.7 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W116 L117 L118 S123 L124 T210 F214 F217 | W116-A120 PolarHBondContact O-N 2.51Å; L117-A120 CarbonylContact O-C 3.5Å; L117-A120 WeakPolarHBondContact O-CA 3.36Å; L117-A120 VanDerWaalsContact O-CB 3.31Å; L117-A120 WeakPolarHBondContact O-CB 3.44Å; L117-A120 PolarHBondContact O-N 2.82Å; L118-A120 PolarHBondContact O-N 2.77Å; A120-S123 PolarHBondContact O-N 2.94Å; A120-L124 PolarHBondContact O-N 3.35Å; A120-T210 HydrophobicContact CB-CG2 3.99Å; A120-F214 HydrophobicContact CB-CD1 3.7Å; A120-F214 HydrophobicContact CB-CE1 3.9Å; A120-F217 HydrophobicContact CB-CD2 4.08Å; A120-F217 HydrophobicContact CB-CE2 3.83Å |
| 121 | I | 96 | Very high | 92.9 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 176.1 | -61.2 | 169.4 | 0 | 0 | 0 | 110.3 | I107 L117 L118 S123 L124 T125 W187 L191 F217 | I107-I121 HydrophobicContact CD1-CB 4.23Å; I107-I121 HydrophobicContact CD1-CG2 3.4Å; I107-I121 HydrophobicContact CG1-CG2 4.01Å; L117-I121 HydrophobicContact CG-CD1 4.2Å; L117-I121 WeakPolarHBondContact O-CG1 3.26Å; L117-I121 PolarHBondContact O-N 3.1Å; L118-I121 HydrophobicContact CD2-CD1 4.19Å; L118-I121 PolarHBondContact O-N 2.91Å; I121-S123 VanDerWaalsContact C-N 3.35Å; I121-S123 PolarHBondContact O-N 2.95Å; I121-L124 VanDerWaalsContact O-CB 3.29Å; I121-L124 WeakPolarHBondContact O-CB 3.3Å; I121-L124 PolarHBondContact O-N 3.03Å; I121-L124 VanDerWaalsContact O-N 3.08Å; I121-T125 WeakPolarHBondContact O-CG2 3.4Å; I121-T125 PolarHBondContact O-N 3Å; I121-W187 HydrophobicContact CG2-CH2 3.5Å; I121-W187 VanDerWaalsContact CG2-CH2 3.5Å; I121-W187 HydrophobicContact CG2-CZ3 3.75Å; I121-L191 HydrophobicContact CD1-CD2 4.01Å; I121-L191 HydrophobicContact CD1-CG 4.33Å; I121-L191 HydrophobicContact CG1-CD2 4.03Å; I121-L191 HydrophobicContact CG2-CD2 4.09Å; I121-F217 HydrophobicContact CB-CE2 4.4Å; I121-F217 HydrophobicContact CD1-CZ 4.2Å; I121-F217 HydrophobicContact CG1-CE2 3.46Å; I121-F217 VanDerWaalsContact CG1-CE2 3.46Å; I121-F217 HydrophobicContact CG1-CZ 3.51Å |
| 122 | A | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R104 I107 L118 L124 T125 | R104-A122 HydrophobicContact CB-CB 4.04Å; I107-A122 HydrophobicContact CB-CB 4.47Å; I107-A122 HydrophobicContact CG1-CB 4.34Å; L118-A122 WeakPolarHBondContact O-CB 3.17Å; L118-A122 PolarHBondContact O-N 3.07Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 3.48Å; A122-T125 PolarHBondContact O-N 3.2Å; A122-T125 PolarHBondContact O-OG1 3.43Å |
| 123 | S | 94 | Very high | 93.2 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.2 | -34.6 | 173.6 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | A119 A120 I121 T125 L126 L247 L248 S275 | A119-S123 PolarHBondContact O-N 3.42Å; A119-S123 PolarHBondContact O-OG 3.33Å; A120-S123 PolarHBondContact O-N 2.94Å; I121-S123 VanDerWaalsContact C-N 3.35Å; I121-S123 PolarHBondContact O-N 2.95Å; S123-T125 VanDerWaalsContact C-N 3.25Å; S123-T125 PolarHBondContact O-N 3.36Å; S123-L126 WeakPolarHBondContact O-CB 3.08Å; S123-L126 PolarHBondContact O-N 2.89Å; S123-L126 VanDerWaalsContact O-N 3.1Å; S123-L247 WeakPolarHBondContact O-CD2 3.35Å; S123-L248 PolarHBondContact OG-O 3.46Å; S123-S275 VanDerWaalsContact OG-CB 3.27Å; S123-S275 WeakPolarHBondContact OG-CB 3.43Å; S123-S275 PolarHBondContact OG-OG 3Å |
| 124 | L | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.8 | -37 | 177.8 | -178.6 | 67 | 0 | 0 | 0 | 112.1 | A120 I121 A122 L126 N127 L130 L131 V134 F217 L247 | A120-L124 PolarHBondContact O-N 3.35Å; I121-L124 VanDerWaalsContact O-CB 3.29Å; I121-L124 WeakPolarHBondContact O-CB 3.3Å; I121-L124 PolarHBondContact O-N 3.03Å; I121-L124 VanDerWaalsContact O-N 3.08Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 3.48Å; L124-L126 PolarHBondContact O-N 2.99Å; L124-L126 VanDerWaalsContact O-N 3.14Å; L124-N127 PolarHBondContact O-N 2.84Å; L124-L130 HydrophobicContact CD1-CB 3.6Å; L124-L131 HydrophobicContact CD2-CD1 3.79Å; L124-L131 HydrophobicContact CG-CB 4.29Å; L124-L131 HydrophobicContact CG-CD1 3.96Å; L124-V134 HydrophobicContact CD2-CB 4.07Å; L124-V134 HydrophobicContact CD2-CG1 4.33Å; L124-V134 HydrophobicContact CD2-CG2 3.96Å; L124-F217 HydrophobicContact CD1-CB 4.21Å; L124-F217 HydrophobicContact CD2-CB 4.04Å; L124-F217 HydrophobicContact CD2-CD2 4.28Å; L124-F217 HydrophobicContact CD2-CG 4.08Å; L124-L247 HydrophobicContact CB-CD1 4.49Å; L124-L247 HydrophobicContact CD1-CD1 4.28Å |
| 125 | T | 93.3 | Very high | 93.7 | Very high | 10 Ų | 10 | 17.5 Ų | 17.5 | 6% | 0.061 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.6 | 177.3 | 68.4 | 0 | 0 | 0 | 0 | 114.6 | R104 I121 A122 S123 N127 L131 W187 | R104-T125 WeakPolarHBondContact CA-OG1 3.45Å; R104-T125 WeakPolarHBondContact CB-OG1 3.42Å; R104-T125 PolarHBondContact N-OG1 3.27Å; I121-T125 WeakPolarHBondContact O-CG2 3.4Å; I121-T125 PolarHBondContact O-N 3Å; A122-T125 PolarHBondContact O-N 3.2Å; A122-T125 PolarHBondContact O-OG1 3.43Å; S123-T125 VanDerWaalsContact C-N 3.25Å; S123-T125 PolarHBondContact O-N 3.36Å; T125-N127 PolarHBondContact O-N 3.33Å; T125-L131 HydrophobicContact CG2-CD2 4.48Å; T125-W187 HydrophobicContact CG2-CH2 3.74Å; T125-W187 HydrophobicContact CG2-CZ2 3.9Å |
| 126 | L | 88.8 | Confident | 93.8 | Very high | 72 Ų | 72 | 17.9 Ų | 17.9 | 38% | 0.377 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -8.2 | 174.1 | -57.8 | 172.6 | 0 | 0 | 0 | 112.5 | S123 L124 T277 | S123-L126 WeakPolarHBondContact O-CB 3.08Å; S123-L126 PolarHBondContact O-N 2.89Å; S123-L126 VanDerWaalsContact O-N 3.1Å; L124-L126 PolarHBondContact O-N 2.99Å; L124-L126 VanDerWaalsContact O-N 3.14Å; L126-T277 HydrophobicContact CD1-CG2 4.15Å |
| 127 | N | 89 | Confident | 93.7 | Very high | 31 Ų | 31 | 24.4 Ų | 24.4 | 17% | 0.166 | 13% | 0.125 | C | C | . | . | trans | -135.7 | 88.7 | -179.4 | -170.5 | -27.6 | 0 | 0 | 0 | 110.8 | L124 T125 T129 L130 L131 G245 | L124-N127 PolarHBondContact O-N 2.84Å; T125-N127 PolarHBondContact O-N 3.33Å; N127-T129 PolarHBondContact O-N 2.91Å; N127-T129 PolarHBondContact OD1-N 3.36Å; N127-L130 HydrophobicContact CB-CB 4.27Å; N127-L130 HydrophobicContact CB-CD1 3.99Å; N127-L130 HydrophobicContact CB-CG 4.16Å; N127-L130 VanDerWaalsContact ND2-CD1 3.35Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.45Å; N127-L130 PolarHBondContact O-N 3.42Å; N127-L130 PolarHBondContact OD1-N 2.89Å; N127-L131 PolarHBondContact O-N 3.33Å; N127-G245 PolarHBondContact ND2-O 3.33Å | ||
| 128 | D | 88.3 | Confident | 93.4 | Very high | 101 Ų | 101 | 27.6 Ų | 27.6 | 54% | 0.54 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -49.1 | -37.5 | 179.6 | -70.8 | 2.6 | 0 | 0 | 0 | 113.4 | L130 L131 H132 | D128-L130 PolarHBondContact O-N 3.27Å; D128-L131 PolarHBondContact O-N 3.24Å; D128-H132 WeakPolarHBondContact O-CB 3.48Å; D128-H132 PolarHBondContact O-CD2 3.39Å; D128-H132 PolarHBondContact O-N 2.91Å |
| 129 | T | 88.6 | Confident | 93.5 | Very high | 52 Ų | 52 | 28.4 Ų | 28.4 | 32% | 0.319 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.3 | -41.6 | -179.8 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | N127 R133 K359 | N127-T129 PolarHBondContact O-N 2.91Å; N127-T129 PolarHBondContact OD1-N 3.36Å; T129-R133 WeakPolarHBondContact O-CG 3.23Å; T129-R133 PolarHBondContact O-N 3.02Å; T129-K359 HydrophobicContact CG2-CD 3.79Å; T129-K359 HydrophobicContact CG2-CG 4.18Å |
| 130 | L | 90.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.9 | -40.5 | 176 | -63 | 178.5 | 0 | 0 | 0 | 111.4 | L124 N127 D128 H132 R133 V134 T218 L247 L353 A357 | L124-L130 HydrophobicContact CD1-CB 3.6Å; N127-L130 HydrophobicContact CB-CB 4.27Å; N127-L130 HydrophobicContact CB-CD1 3.99Å; N127-L130 HydrophobicContact CB-CG 4.16Å; N127-L130 VanDerWaalsContact ND2-CD1 3.35Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.45Å; N127-L130 PolarHBondContact O-N 3.42Å; N127-L130 PolarHBondContact OD1-N 2.89Å; D128-L130 PolarHBondContact O-N 3.27Å; L130-H132 VanDerWaalsContact C-N 3.26Å; L130-H132 PolarHBondContact O-N 2.95Å; L130-R133 WeakPolarHBondContact O-CA 3.42Å; L130-R133 VanDerWaalsContact O-CB 3.29Å; L130-R133 WeakPolarHBondContact O-CB 3.27Å; L130-R133 PolarHBondContact O-N 3.2Å; L130-V134 PolarHBondContact O-N 3.29Å; L130-T218 HydrophobicContact CD1-CG2 4.1Å; L130-L247 HydrophobicContact CD1-CD2 4.31Å; L130-L353 HydrophobicContact CD1-CD1 3.74Å; L130-L353 HydrophobicContact CD1-CD2 3.52Å; L130-L353 HydrophobicContact CD1-CG 4.27Å; L130-L353 HydrophobicContact CD2-CD1 4.36Å; L130-L353 HydrophobicContact CD2-CD2 4.28Å; L130-L353 HydrophobicContact CG-CD1 4.48Å; L130-A357 HydrophobicContact CD2-CB 3.67Å |
| 131 | L | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.1 | -45.9 | 177.2 | -178.5 | 63.1 | 0 | 0 | 0 | 110.8 | A102 L124 T125 N127 D128 R133 V134 V135 W187 | A102-L131 HydrophobicContact CB-CD2 3.53Å; L124-L131 HydrophobicContact CD2-CD1 3.79Å; L124-L131 HydrophobicContact CG-CB 4.29Å; L124-L131 HydrophobicContact CG-CD1 3.96Å; T125-L131 HydrophobicContact CG2-CD2 4.48Å; N127-L131 PolarHBondContact O-N 3.33Å; D128-L131 PolarHBondContact O-N 3.24Å; L131-R133 PolarHBondContact O-N 2.79Å; L131-V134 PolarHBondContact O-N 3.25Å; L131-V135 HydrophobicContact CD1-CB 4.5Å; L131-V135 HydrophobicContact CD1-CG2 3.89Å; L131-V135 PolarHBondContact O-N 2.91Å; L131-W187 HydrophobicContact CD1-CH2 4.06Å; L131-W187 HydrophobicContact CD1-CZ3 3.96Å |
| 132 | H | 93.7 | Very high | 93.5 | Very high | 60 Ų | 60 | 34 Ų | 34 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -72.5 | -11.5 | 178.3 | -67.5 | -48.2 | 0 | 0 | 0 | 115 | D128 L130 V135 H137 | D128-H132 WeakPolarHBondContact O-CB 3.48Å; D128-H132 PolarHBondContact O-CD2 3.39Å; D128-H132 PolarHBondContact O-N 2.91Å; L130-H132 VanDerWaalsContact C-N 3.26Å; L130-H132 PolarHBondContact O-N 2.95Å; H132-V135 WeakPolarHBondContact CA-O 3.38Å; H132-V135 PolarHBondContact ND1-O 2.93Å; H132-H137 AromaticContact CD2-CE1 3.18Å; H132-H137 PolarHBondContact CD2-CE1 3.49Å; H132-H137 AromaticContact CD2-NE2 3.49Å; H132-H137 PolarHBondContact CD2-NE2 3.03Å; H132-H137 AromaticContact CE1-CE1 3.22Å; H132-H137 PolarHBondContact CE1-CE1 3.14Å; H132-H137 AromaticContact CE1-ND1 3.55Å; H132-H137 AromaticContact CG-CE1 3.17Å; H132-H137 AromaticContact CG-ND1 3.92Å; H132-H137 AromaticContact CG-NE2 3.27Å; H132-H137 VanDerWaalsContact CG-NE2 3.27Å; H132-H137 AromaticContact ND1-CE1 3.19Å; H132-H137 PolarHBondContact ND1-CE1 3.15Å; H132-H137 AromaticContact ND1-ND1 3.5Å; H132-H137 AromaticContact ND1-NE2 3.68Å; H132-H137 AromaticContact NE2-CE1 3.19Å; H132-H137 PolarHBondContact NE2-CE1 2.75Å; H132-H137 AromaticContact NE2-ND1 3.95Å; H132-H137 AromaticContact NE2-NE2 3.98Å |
| 133 | R | 94.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 40 Ų | 40 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.7 | -37.4 | 165.6 | -64.7 | -173.8 | 80.5 | -176.6 | 11.4 | 111 | H31 T129 L130 L131 Q152 W159 D356 A357 | H31-R133 VanDerWaalsContact CG-NH2 3.31Å; H31-R133 WeakPolarHBondContact NE2-CA 3.31Å; H31-R133 WeakPolarHBondContact NE2-CB 3.27Å; H31-R133 PolarHBondContact NE2-O 2.77Å; H31-R133 VanDerWaalsContact NE2-O 3.11Å; T129-R133 WeakPolarHBondContact O-CG 3.23Å; T129-R133 PolarHBondContact O-N 3.02Å; L130-R133 WeakPolarHBondContact O-CA 3.42Å; L130-R133 VanDerWaalsContact O-CB 3.29Å; L130-R133 WeakPolarHBondContact O-CB 3.27Å; L130-R133 PolarHBondContact O-N 3.2Å; L131-R133 PolarHBondContact O-N 2.79Å; R133-Q152 WeakPolarHBondContact O-CB 3.33Å; R133-Q152 PolarHBondContact O-OE1 3.05Å; R133-W159 HydrophobicContact CB-CH2 4.24Å; R133-D356 IonicContact CZ-OD2 2.85Å; R133-D356 VanDerWaalsContact CZ-OD2 3.3Å; R133-D356 IonicContact NH1-OD2 3.98Å; R133-D356 PolarHBondContact NH1-OD2 3.4Å; R133-D356 IonicContact NH2-OD2 3.57Å; R133-D356 PolarHBondContact NH2-OD2 3.45Å; R133-A357 VanDerWaalsContact NH1-CA 3.33Å |
| 134 | V | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -87.5 | -37.9 | -178 | 178 | 0 | 0 | 0 | 0 | 112.4 | L124 L130 L131 P136 F151 Q152 L153 W159 L191 F217 | L124-V134 HydrophobicContact CD2-CB 4.07Å; L124-V134 HydrophobicContact CD2-CG1 4.33Å; L124-V134 HydrophobicContact CD2-CG2 3.96Å; L130-V134 PolarHBondContact O-N 3.29Å; L131-V134 PolarHBondContact O-N 3.25Å; V134-P136 VanDerWaalsContact O-CD 3.32Å; V134-P136 WeakPolarHBondContact O-CD 3.26Å; V134-F151 CarbonylContact O-C 3.24Å; V134-F151 VanDerWaalsContact O-CA 3.26Å; V134-F151 WeakPolarHBondContact O-CA 3.44Å; V134-F151 WeakPolarHBondContact O-CB 3.32Å; V134-Q152 WeakPolarHBondContact CA-O 3.3Å; V134-Q152 PolarHBondContact O-N 3.15Å; V134-L153 HydrophobicContact CG1-CD2 4.13Å; V134-W159 HydrophobicContact CG2-CZ3 4.43Å; V134-L191 HydrophobicContact CG1-CD1 3.7Å; V134-L191 HydrophobicContact CG1-CD2 4.24Å; V134-F217 HydrophobicContact CG1-CD1 3.95Å; V134-F217 HydrophobicContact CG1-CE1 4.4Å; V134-F217 HydrophobicContact CG2-CB 3.92Å; V134-F217 HydrophobicContact CG2-CD1 4.22Å; V134-F217 HydrophobicContact CG2-CG 4.42Å; V134-F217 WeakPolarHBondContact CG2-O 3.29Å |
| 135 | V | 97.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -116.3 | 87.3 | -176.9 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | F97 I98 L131 H132 F151 W187 L191 | F97-V135 HydrophobicContact CE1-CG1 3.66Å; F97-V135 HydrophobicContact CZ-CG1 3.79Å; I98-V135 HydrophobicContact CD1-CG1 4.27Å; L131-V135 HydrophobicContact CD1-CB 4.5Å; L131-V135 HydrophobicContact CD1-CG2 3.89Å; L131-V135 PolarHBondContact O-N 2.91Å; H132-V135 WeakPolarHBondContact CA-O 3.38Å; H132-V135 PolarHBondContact ND1-O 2.93Å; V135-F151 HydrophobicContact CB-CD1 4.43Å; V135-F151 HydrophobicContact CB-CE1 4.46Å; V135-F151 HydrophobicContact CG1-CD1 4.42Å; V135-F151 HydrophobicContact CG1-CE1 4.03Å; V135-F151 HydrophobicContact CG2-CD1 4.01Å; V135-F151 HydrophobicContact CG2-CE1 4.07Å; V135-W187 HydrophobicContact CG2-CE3 3.91Å; V135-W187 HydrophobicContact CG2-CZ3 4.07Å; V135-L191 HydrophobicContact CG2-CD2 4.29Å |
| 136 | P | 96 | Very high | 94 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | trans | -58.1 | 146 | -177.8 | -27.6 | 37 | 0 | 0 | 0 | 113.1 | V134 Q139 H150 Q152 | V134-P136 VanDerWaalsContact O-CD 3.32Å; V134-P136 WeakPolarHBondContact O-CD 3.26Å; P136-Q139 PolarHBondContact O-NE2 2.7Å; P136-H150 WeakPolarHBondContact CB-NE2 3.4Å; P136-H150 WeakPolarHBondContact CG-NE2 3.37Å; P136-Q152 HydrophobicContact CG-CG 4.36Å | ||
| 137 | H | 92.2 | Very high | 94.4 | Very high | 140 Ų | 140 | 40 Ų | 40 | 65% | 0.648 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 166 | 173.8 | -61 | -76.8 | 0 | 0 | 0 | 112.5 | H132 Q139 | H132-H137 AromaticContact CD2-CE1 3.18Å; H132-H137 PolarHBondContact CD2-CE1 3.49Å; H132-H137 AromaticContact CD2-NE2 3.49Å; H132-H137 PolarHBondContact CD2-NE2 3.03Å; H132-H137 AromaticContact CE1-CE1 3.22Å; H132-H137 PolarHBondContact CE1-CE1 3.14Å; H132-H137 AromaticContact CE1-ND1 3.55Å; H132-H137 AromaticContact CG-CE1 3.17Å; H132-H137 AromaticContact CG-ND1 3.92Å; H132-H137 AromaticContact CG-NE2 3.27Å; H132-H137 VanDerWaalsContact CG-NE2 3.27Å; H132-H137 AromaticContact ND1-CE1 3.19Å; H132-H137 PolarHBondContact ND1-CE1 3.15Å; H132-H137 AromaticContact ND1-ND1 3.5Å; H132-H137 AromaticContact ND1-NE2 3.68Å; H132-H137 AromaticContact NE2-CE1 3.19Å; H132-H137 PolarHBondContact NE2-CE1 2.75Å; H132-H137 AromaticContact NE2-ND1 3.95Å; H132-H137 AromaticContact NE2-NE2 3.98Å; H137-Q139 VanDerWaalsContact C-N 3.35Å |
| 138 | G | 92 | Very high | 94.9 | Very high | 67 Ų | 67 | 38.7 Ų | 38.7 | 69% | 0.691 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 4.7 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 139 | Q | 96.7 | Very high | 95.4 | Very high | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | trans | -87 | 136.2 | 174.9 | -59.5 | -173.5 | 84.1 | 0 | 0 | 110.8 | F97 P136 H137 F149 H150 | F97-Q139 HydrophobicContact CD1-CB 3.73Å; F97-Q139 HydrophobicContact CE1-CB 3.68Å; F97-Q139 HydrophobicContact CE1-CG 4.38Å; F97-Q139 HydrophobicContact CE2-CB 4.49Å; F97-Q139 HydrophobicContact CG-CB 4.17Å; F97-Q139 HydrophobicContact CZ-CB 4.08Å; P136-Q139 PolarHBondContact O-NE2 2.7Å; H137-Q139 VanDerWaalsContact C-N 3.35Å; Q139-F149 HydrophobicContact CB-CD1 3.98Å; Q139-F149 HydrophobicContact CB-CE1 4.19Å; Q139-F149 HydrophobicContact CG-CD1 4.46Å; Q139-H150 PolarHBondContact NE2-O 3.3Å; Q139-H150 PolarHBondContact OE1-O 3.31Å | ||
| 140 | S | 96.7 | Very high | 95.9 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | trans | -161.1 | 150.3 | -175.6 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | Q142 N143 | S140-Q142 VanDerWaalsContact C-N 3.35Å; S140-Q142 PolarHBondContact OG-N 2.82Å; S140-Q142 PolarHBondContact OG-OE1 3.1Å; S140-N143 PolarHBondContact OG-N 3.3Å; S140-N143 VanDerWaalsContact OG-N 3.16Å | ||
| 141 | F | 97.5 | Very high | 96.3 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -84.5 | -9.9 | 169.3 | -70.1 | -84.5 | 0 | 0 | 0 | 113.2 | P88 T89 P95 Q96 F97 Y145 F149 D166 F186 L190 | P88-F141 HydrophobicContact CB-CD1 4.47Å; P88-F141 HydrophobicContact CB-CE1 3.79Å; P88-F141 HydrophobicContact CB-CZ 3.97Å; P88-F141 HydrophobicContact CG-CE1 3.73Å; P88-F141 HydrophobicContact CG-CZ 3.72Å; T89-F141 HydrophobicContact CG2-CD1 4.27Å; P95-F141 HydrophobicContact CB-CB 4.47Å; P95-F141 HydrophobicContact CB-CD1 4.26Å; P95-F141 HydrophobicContact CB-CD2 4.13Å; P95-F141 HydrophobicContact CB-CE2 4.44Å; P95-F141 HydrophobicContact CB-CG 4.04Å; P95-F141 HydrophobicContact CG-CB 3.95Å; P95-F141 HydrophobicContact CG-CD1 4Å; P95-F141 HydrophobicContact CG-CD2 4.47Å; P95-F141 HydrophobicContact CG-CG 3.9Å; P95-F141 WeakPolarHBondContact O-CB 3.33Å; Q96-F141 VanDerWaalsContact C-CD2 3.46Å; Q96-F141 WeakPolarHBondContact O-CE2 3.21Å; F97-F141 HydrophobicContact CB-CD2 4.21Å; F97-F141 HydrophobicContact CB-CE2 4.17Å; F97-F141 HydrophobicContact CD2-CE2 4.4Å; F141-Y145 HydrophobicContact CD1-CD2 4.01Å; F141-Y145 AromaticContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CE1-CE2 4.1Å; F141-Y145 WeakPolarHBondContact O-CB 3.35Å; F141-F149 HydrophobicContact CD1-CE2 4.31Å; F141-F149 AromaticContact CD1-CZ 3.88Å; F141-F149 HydrophobicContact CD1-CZ 3.88Å; F141-F149 HydrophobicContact CD2-CZ 4.13Å; F141-F149 AromaticContact CE1-CE2 3.69Å; F141-F149 HydrophobicContact CE1-CE2 3.69Å; F141-F149 AromaticContact CE1-CZ 3.55Å; F141-F149 HydrophobicContact CE1-CZ 3.55Å; F141-F149 HydrophobicContact CE2-CE1 4.36Å; F141-F149 AromaticContact CE2-CZ 3.83Å; F141-F149 HydrophobicContact CE2-CZ 3.83Å; F141-F149 HydrophobicContact CG-CZ 4.15Å; F141-F149 HydrophobicContact CZ-CE1 4.37Å; F141-F149 AromaticContact CZ-CE2 3.85Å; F141-F149 HydrophobicContact CZ-CE2 3.85Å; F141-F149 AromaticContact CZ-CZ 3.51Å; F141-F149 HydrophobicContact CZ-CZ 3.51Å; F141-D166 HydrophobicContact CE1-CB 4.28Å; F141-D166 WeakPolarHBondContact CE1-OD2 3.43Å; F141-F186 HydrophobicContact CE2-CB 4.03Å; F141-F186 HydrophobicContact CE2-CD2 4.32Å; F141-F186 HydrophobicContact CZ-CB 4.02Å; F141-F186 HydrophobicContact CZ-CD2 4.49Å; F141-F186 HydrophobicContact CZ-CG 4.44Å; F141-L190 HydrophobicContact CZ-CD1 4.11Å |
| 142 | Q | 95.4 | Very high | 96.5 | Very high | 78 Ų | 78 | 33.8 Ų | 33.8 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -100.2 | -57 | -178.7 | -63.6 | 71.3 | 25.5 | 0 | 0 | 110.3 | N94 P95 S140 | N94-Q142 PolarHBondContact OD1-NE2 3.16Å; N94-Q142 VanDerWaalsContact OD1-NE2 3.09Å; P95-Q142 PolarHBondContact O-NE2 3.27Å; S140-Q142 VanDerWaalsContact C-N 3.35Å; S140-Q142 PolarHBondContact OG-N 2.82Å; S140-Q142 PolarHBondContact OG-OE1 3.1Å |
| 143 | N | 94.1 | Very high | 96.7 | Very high | 126 Ų | 126 | 31 Ų | 31 | 67% | 0.674 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 111.3 | -169.5 | -70 | -27.7 | 0 | 0 | 0 | 111.7 | S140 Y145 | S140-N143 PolarHBondContact OG-N 3.3Å; S140-N143 VanDerWaalsContact OG-N 3.16Å; N143-Y145 VanDerWaalsContact C-N 3.29Å; N143-Y145 PolarHBondContact O-N 2.76Å |
| 144 | G | 94.2 | Very high | 96.8 | Very high | 34 Ų | 34 | 30.5 Ų | 30.5 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 36.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | R46 | R46-G144 PolarHBondContact NE-O 3.47Å; R46-G144 PolarHBondContact NH2-O 2.73Å; R46-G144 VanDerWaalsContact NH2-O 3.11Å |
| 145 | Y | 97.8 | Very high | 96.7 | Very high | 46 Ų | 46 | 31.3 Ų | 31.3 | 18% | 0.18 | 18% | 0.18 | C | C | . | . | trans | -68 | 130.7 | 177.1 | 172.6 | -110.7 | 0 | 0 | 0 | 111.3 | L55 T89 F141 N143 G147 F149 D166 | L55-Y145 HydrophobicContact CD1-CE1 4.47Å; L55-Y145 HydrophobicContact CD2-CD1 4.1Å; L55-Y145 HydrophobicContact CD2-CE1 3.53Å; T89-Y145 HydrophobicContact CG2-CE1 3.96Å; T89-Y145 PolarHBondContact OG1-OH 3.25Å; F141-Y145 HydrophobicContact CD1-CD2 4.01Å; F141-Y145 AromaticContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CE1-CE2 4.1Å; F141-Y145 WeakPolarHBondContact O-CB 3.35Å; N143-Y145 VanDerWaalsContact C-N 3.29Å; N143-Y145 PolarHBondContact O-N 2.76Å; Y145-G147 VanDerWaalsContact CE2-CA 3.46Å; Y145-G147 VanDerWaalsContact CE2-N 3.31Å; Y145-F149 HydrophobicContact CE2-CE2 4.34Å; Y145-D166 VanDerWaalsContact CE2-OD2 3.23Å; Y145-D166 WeakPolarHBondContact CE2-OD2 3.31Å; Y145-D166 PolarHBondContact OH-OD2 2.97Å | ||
| 146 | A | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | trans | -138.3 | 23.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R46 C49 L50 F56 I148 | R46-A146 HydrophobicContact CG-CB 4.31Å; C49-A146 HydrophobicContact CB-CB 3.76Å; L50-A146 HydrophobicContact CD2-CB 4.03Å; L50-A146 HydrophobicContact CG-CB 4.07Å; F56-A146 WeakPolarHBondContact CB-O 2.77Å; F56-A146 PolarHBondContact N-O 3.15Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CG2 3.95Å; A146-I148 PolarHBondContact O-N 3.06Å | ||
| 147 | G | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 63.7 | 29.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R87 Y145 D165 D166 | R87-G147 PolarHBondContact NH1-O 3.08Å; Y145-G147 VanDerWaalsContact CE2-CA 3.46Å; Y145-G147 VanDerWaalsContact CE2-N 3.31Å; G147-D165 VanDerWaalsContact O-CA 3.23Å; G147-D165 WeakPolarHBondContact O-CA 3.48Å; G147-D165 WeakPolarHBondContact O-CB 3.26Å; G147-D166 PolarHBondContact O-N 3.06Å |
| 148 | I | 98.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 137.2 | -173.5 | -171.9 | 174.3 | 0 | 0 | 0 | 110.1 | Y42 L45 R46 F56 A146 V163 V164 | Y42-I148 HydrophobicContact CD2-CD1 4.17Å; Y42-I148 HydrophobicContact CD2-CG1 4.02Å; Y42-I148 HydrophobicContact CE2-CG1 4.21Å; Y42-I148 HydrophobicContact CE2-CG2 4.15Å; L45-I148 HydrophobicContact CB-CD1 3.55Å; L45-I148 HydrophobicContact CD1-CD1 4.48Å; R46-I148 HydrophobicContact CB-CG2 3.8Å; R46-I148 HydrophobicContact CG-CG2 3.95Å; F56-I148 HydrophobicContact CB-CB 3.72Å; F56-I148 HydrophobicContact CB-CD1 4.35Å; F56-I148 HydrophobicContact CB-CG1 4.31Å; F56-I148 HydrophobicContact CD1-CB 3.84Å; F56-I148 HydrophobicContact CD1-CD1 3.85Å; F56-I148 HydrophobicContact CD1-CG1 3.61Å; F56-I148 HydrophobicContact CD2-CD1 4.22Å; F56-I148 HydrophobicContact CE1-CD1 4.19Å; F56-I148 HydrophobicContact CE1-CG1 4.13Å; F56-I148 HydrophobicContact CG-CB 3.99Å; F56-I148 HydrophobicContact CG-CD1 3.88Å; F56-I148 HydrophobicContact CG-CG1 4.01Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CG2 3.95Å; A146-I148 PolarHBondContact O-N 3.06Å; I148-V163 HydrophobicContact CD1-CG1 3.57Å; I148-V163 HydrophobicContact CG1-CG1 3.58Å; I148-V164 WeakPolarHBondContact CA-O 3.47Å |
| 149 | F | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 164.5 | 179 | -66.9 | -91.6 | 0 | 0 | 0 | 109.3 | F97 Q139 F141 Y145 F151 V163 V164 D166 L190 | F97-F149 HydrophobicContact CB-CE1 4.4Å; F97-F149 AromaticContact CD2-CD1 3.57Å; F97-F149 HydrophobicContact CD2-CD1 3.57Å; F97-F149 AromaticContact CD2-CE1 3.39Å; F97-F149 HydrophobicContact CD2-CE1 3.39Å; F97-F149 HydrophobicContact CD2-CZ 4.32Å; F97-F149 AromaticContact CE2-CD1 3.47Å; F97-F149 HydrophobicContact CE2-CD1 3.47Å; F97-F149 VanDerWaalsContact CE2-CD1 3.47Å; F97-F149 AromaticContact CE2-CE1 3.83Å; F97-F149 HydrophobicContact CE2-CE1 3.83Å; F97-F149 HydrophobicContact CE2-CG 4.3Å; F97-F149 HydrophobicContact CG-CD1 4.41Å; F97-F149 HydrophobicContact CG-CE1 4.02Å; F97-F149 HydrophobicContact CZ-CD1 4.23Å; Q139-F149 HydrophobicContact CB-CD1 3.98Å; Q139-F149 HydrophobicContact CB-CE1 4.19Å; Q139-F149 HydrophobicContact CG-CD1 4.46Å; F141-F149 HydrophobicContact CD1-CE2 4.31Å; F141-F149 AromaticContact CD1-CZ 3.88Å; F141-F149 HydrophobicContact CD1-CZ 3.88Å; F141-F149 HydrophobicContact CD2-CZ 4.13Å; F141-F149 AromaticContact CE1-CE2 3.69Å; F141-F149 HydrophobicContact CE1-CE2 3.69Å; F141-F149 AromaticContact CE1-CZ 3.55Å; F141-F149 HydrophobicContact CE1-CZ 3.55Å; F141-F149 HydrophobicContact CE2-CE1 4.36Å; F141-F149 AromaticContact CE2-CZ 3.83Å; F141-F149 HydrophobicContact CE2-CZ 3.83Å; F141-F149 HydrophobicContact CG-CZ 4.15Å; F141-F149 HydrophobicContact CZ-CE1 4.37Å; F141-F149 AromaticContact CZ-CE2 3.85Å; F141-F149 HydrophobicContact CZ-CE2 3.85Å; F141-F149 AromaticContact CZ-CZ 3.51Å; F141-F149 HydrophobicContact CZ-CZ 3.51Å; Y145-F149 HydrophobicContact CE2-CE2 4.34Å; F149-F151 HydrophobicContact CB-CE2 4.35Å; F149-V163 WeakPolarHBondContact O-CA 3.3Å; F149-V164 HydrophobicContact CB-CG2 4.34Å; F149-V164 PolarHBondContact N-O 3.46Å; F149-V164 PolarHBondContact O-N 3.04Å; F149-D166 HydrophobicContact CD2-CB 3.94Å; F149-D166 HydrophobicContact CE2-CB 3.73Å; F149-L190 HydrophobicContact CB-CD1 4.36Å; F149-L190 HydrophobicContact CD1-CD1 4.08Å; F149-L190 HydrophobicContact CD2-CD1 3.68Å; F149-L190 HydrophobicContact CE1-CD1 4.31Å; F149-L190 HydrophobicContact CE2-CD1 3.95Å; F149-L190 HydrophobicContact CG-CD1 3.77Å; F149-L190 HydrophobicContact CZ-CD1 4.26Å |
| 150 | H | 98.7 | Very high | 96.8 | Very high | 23 Ų | 23 | 22.7 Ų | 22.7 | 11% | 0.106 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 155.7 | 174.9 | 80.6 | 144.7 | 0 | 0 | 0 | 113.3 | Y42 P136 Q139 D161 V162 V163 | Y42-H150 AromaticContact CD1-NE2 4Å; Y42-H150 HydrophobicContact CD2-CB 3.86Å; Y42-H150 AromaticContact CD2-CG 3.96Å; Y42-H150 HydrophobicContact CG-CB 3.98Å; Y42-H150 AromaticContact CG-CG 3.71Å; Y42-H150 AromaticContact CG-ND1 3.93Å; P136-H150 WeakPolarHBondContact CB-NE2 3.4Å; P136-H150 WeakPolarHBondContact CG-NE2 3.37Å; Q139-H150 PolarHBondContact NE2-O 3.3Å; Q139-H150 PolarHBondContact OE1-O 3.31Å; H150-D161 IonicContact CE1-OD2 3.77Å; H150-D161 PolarHBondContact CE1-OD2 3.27Å; H150-D161 IonicContact CG-OD1 3.37Å; H150-D161 VanDerWaalsContact ND1-CG 3.35Å; H150-D161 IonicContact ND1-OD1 2.72Å; H150-D161 PolarHBondContact ND1-OD1 2.98Å; H150-D161 IonicContact ND1-OD2 3.63Å; H150-D161 PolarHBondContact ND1-OD2 2.95Å; H150-V162 VanDerWaalsContact CA-O 3.26Å; H150-V162 WeakPolarHBondContact CA-O 3.45Å; H150-V163 HydrophobicContact CB-CG2 4.35Å |
| 151 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.7 | -179 | -59.5 | -87.2 | 0 | 0 | 0 | 109.7 | F97 V134 V135 F149 V162 V164 L190 L191 A194 | F97-F151 HydrophobicContact CE2-CZ 4.11Å; F97-F151 HydrophobicContact CZ-CE1 4.06Å; F97-F151 HydrophobicContact CZ-CZ 4.02Å; V134-F151 CarbonylContact O-C 3.24Å; V134-F151 VanDerWaalsContact O-CA 3.26Å; V134-F151 WeakPolarHBondContact O-CA 3.44Å; V134-F151 WeakPolarHBondContact O-CB 3.32Å; V135-F151 HydrophobicContact CB-CD1 4.43Å; V135-F151 HydrophobicContact CB-CE1 4.46Å; V135-F151 HydrophobicContact CG1-CD1 4.42Å; V135-F151 HydrophobicContact CG1-CE1 4.03Å; V135-F151 HydrophobicContact CG2-CD1 4.01Å; V135-F151 HydrophobicContact CG2-CE1 4.07Å; F149-F151 HydrophobicContact CB-CE2 4.35Å; F151-V162 PolarHBondContact N-O 2.61Å; F151-V162 PolarHBondContact O-N 2.77Å; F151-V164 HydrophobicContact CD2-CG2 4.32Å; F151-V164 HydrophobicContact CE2-CG2 4.01Å; F151-L190 VanDerWaalsContact CE2-C 3.46Å; F151-L190 HydrophobicContact CE2-CB 3.77Å; F151-L190 WeakPolarHBondContact CE2-O 3.42Å; F151-L190 HydrophobicContact CZ-CB 3.6Å; F151-L191 HydrophobicContact CB-CD1 4.09Å; F151-L191 HydrophobicContact CD1-CB 4.02Å; F151-L191 HydrophobicContact CD1-CD1 3.65Å; F151-L191 HydrophobicContact CD1-CG 4.38Å; F151-L191 HydrophobicContact CE1-CB 3.75Å; F151-L191 HydrophobicContact CE1-CD1 4.28Å; F151-L191 HydrophobicContact CG-CD1 3.91Å; F151-L191 HydrophobicContact CZ-CB 4.14Å; F151-A194 HydrophobicContact CB-CB 4.19Å; F151-A194 HydrophobicContact CD2-CB 3.51Å; F151-A194 HydrophobicContact CE2-CB 4.26Å; F151-A194 HydrophobicContact CG-CB 4.13Å |
| 152 | Q | 98.4 | Very high | 97 | Very high | 27 Ų | 27 | 21.5 Ų | 21.5 | 13% | 0.126 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.1 | 175.8 | -59.1 | -174.2 | -23.7 | 0 | 0 | 110.1 | H31 R133 V134 P136 W159 V160 D161 | H31-Q152 PolarHBondContact CD2-OE1 2.76Å; H31-Q152 PolarHBondContact NE2-OE1 3.46Å; R133-Q152 WeakPolarHBondContact O-CB 3.33Å; R133-Q152 PolarHBondContact O-OE1 3.05Å; V134-Q152 WeakPolarHBondContact CA-O 3.3Å; V134-Q152 PolarHBondContact O-N 3.15Å; P136-Q152 HydrophobicContact CG-CG 4.36Å; Q152-W159 HydrophobicContact CB-CE3 4.01Å; Q152-W159 HydrophobicContact CB-CZ3 4.34Å; Q152-V160 CarbonylContact C-O 3.57Å; Q152-V160 WeakPolarHBondContact CA-O 3.48Å; Q152-D161 HydrophobicContact CG-CB 4.47Å; Q152-D161 VanDerWaalsContact CG-OD2 3.31Å; Q152-D161 WeakPolarHBondContact CG-OD2 3.26Å; Q152-D161 PolarHBondContact NE2-OD2 3.43Å; Q152-D161 VanDerWaalsContact NE2-OD2 3.12Å |
| 153 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.4 | -179.2 | -59.8 | 177.6 | 0 | 0 | 0 | 108.6 | V134 Q155 V160 V162 L191 Y195 V198 F217 | V134-L153 HydrophobicContact CG1-CD2 4.13Å; L153-Q155 HydrophobicContact CB-CG 4.41Å; L153-Q155 PolarHBondContact O-N 3.49Å; L153-V160 PolarHBondContact N-O 3.05Å; L153-V160 PolarHBondContact O-N 3.02Å; L153-V162 HydrophobicContact CD1-CG2 4.21Å; L153-V162 HydrophobicContact CG-CG2 4.48Å; L153-L191 HydrophobicContact CD2-CD1 4.14Å; L153-Y195 HydrophobicContact CD1-CD2 3.74Å; L153-Y195 HydrophobicContact CD1-CG 4.44Å; L153-Y195 HydrophobicContact CD2-CD2 4.09Å; L153-V198 HydrophobicContact CD1-CG2 4.06Å; L153-F217 HydrophobicContact CD2-CD1 3.93Å; L153-F217 HydrophobicContact CD2-CE1 3.79Å |
| 154 | W | 97 | Very high | 97.4 | Very high | 13 Ų | 13 | 11.8 Ų | 11.8 | 5% | 0.049 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 128 | 166.8 | -173.7 | 94.4 | 0 | 0 | 0 | 108.6 | G157 W159 D216 G219 L370 M424 | W154-G157 VanDerWaalsContact CH2-N 3.28Å; W154-W159 HydrophobicContact CB-CD2 4.23Å; W154-W159 HydrophobicContact CB-CE3 4.3Å; W154-W159 HydrophobicContact CB-CH2 4.41Å; W154-W159 HydrophobicContact CB-CZ2 4.32Å; W154-W159 HydrophobicContact CB-CZ3 4.4Å; W154-W159 AromaticContact CD1-NE1 3.76Å; W154-D216 WeakPolarHBondContact CB-O 3.39Å; W154-D216 PolarHBondContact N-O 3.06Å; W154-D216 VanDerWaalsContact O-CA 3.29Å; W154-D216 WeakPolarHBondContact O-CA 3.42Å; W154-D216 WeakPolarHBondContact O-CB 3.25Å; W154-G219 VanDerWaalsContact CD1-CA 3.45Å; W154-G219 VanDerWaalsContact CG-CA 3.46Å; W154-L370 HydrophobicContact CZ2-CD1 4.42Å; W154-M424 HydrophobicContact CH2-CE 3.88Å; W154-M424 HydrophobicContact CH2-SD 4.08Å; W154-M424 HydrophobicContact CZ3-CE 3.69Å; W154-M424 HydrophobicContact CZ3-SD 3.78Å |
| 155 | Q | 96.3 | Very high | 97.6 | Very high | 16 Ų | 16 | 10.2 Ų | 10.2 | 8% | 0.075 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 102.3 | -178.4 | -67.5 | -65.9 | -70.1 | 0 | 0 | 108.2 | L153 G157 E158 V160 V198 D216 | L153-Q155 HydrophobicContact CB-CG 4.41Å; L153-Q155 PolarHBondContact O-N 3.49Å; Q155-G157 VanDerWaalsContact C-N 3.3Å; Q155-G157 PolarHBondContact O-N 2.87Å; Q155-E158 PolarHBondContact N-O 2.78Å; Q155-E158 PolarHBondContact O-N 2.91Å; Q155-E158 VanDerWaalsContact O-N 3.15Å; Q155-V160 HydrophobicContact CB-CG2 3.9Å; Q155-V160 HydrophobicContact CG-CB 4.38Å; Q155-V160 HydrophobicContact CG-CG2 4.06Å; Q155-V198 HydrophobicContact CG-CG1 4.13Å; Q155-V198 VanDerWaalsContact OE1-CG1 3.28Å; Q155-D216 VanDerWaalsContact NE2-CG 3.33Å; Q155-D216 PolarHBondContact NE2-OD2 3.12Å; Q155-D216 VanDerWaalsContact NE2-OD2 3.12Å |
| 156 | F | 94.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 8 Ų | 8 | 4% | 0.044 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 44 | 169.4 | -43.9 | -71.3 | 0 | 0 | 0 | 113.9 | M424 K426 H427 V510 | F156-M424 HydrophobicContact CD1-CG 4.21Å; F156-M424 HydrophobicContact CD1-SD 3.61Å; F156-M424 HydrophobicContact CE1-CG 4.49Å; F156-M424 HydrophobicContact CE1-SD 4.05Å; F156-K426 HydrophobicContact CB-CD 4Å; F156-K426 HydrophobicContact CB-CG 3.83Å; F156-K426 HydrophobicContact CD1-CB 3.91Å; F156-K426 HydrophobicContact CD1-CG 3.69Å; F156-K426 HydrophobicContact CD2-CB 4.3Å; F156-K426 HydrophobicContact CD2-CG 4.44Å; F156-K426 HydrophobicContact CE1-CB 4.18Å; F156-K426 HydrophobicContact CE1-CG 4.43Å; F156-K426 HydrophobicContact CG-CB 3.98Å; F156-K426 HydrophobicContact CG-CD 4.33Å; F156-K426 HydrophobicContact CG-CG 3.71Å; F156-H427 AromaticContact CD2-CE1 3.47Å; F156-H427 VanDerWaalsContact CD2-CE1 3.47Å; F156-H427 WeakPolarHBondContact CD2-CE1 3.45Å; F156-H427 AromaticContact CD2-ND1 3.81Å; F156-H427 AromaticContact CE2-CE1 3.49Å; F156-H427 VanDerWaalsContact CE2-CE1 3.49Å; F156-H427 WeakPolarHBondContact CE2-CE1 3.45Å; F156-H427 AromaticContact CE2-ND1 3.32Å; F156-H427 VanDerWaalsContact CE2-ND1 3.32Å; F156-H427 WeakPolarHBondContact CE2-ND1 3.47Å; F156-H427 VanDerWaalsContact CZ-N 3.28Å; F156-V510 HydrophobicContact CB-CG2 3.88Å; F156-V510 WeakPolarHBondContact O-CG2 3.38Å |
| 157 | G | 92.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 8.8 Ų | 8.8 | 20% | 0.196 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | -6.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | W154 Q155 L370 | W154-G157 VanDerWaalsContact CH2-N 3.28Å; Q155-G157 VanDerWaalsContact C-N 3.3Å; Q155-G157 PolarHBondContact O-N 2.87Å; G157-L370 VanDerWaalsContact CA-CD1 3.44Å |
| 158 | E | 94.3 | Very high | 97.7 | Very high | 14 Ų | 14 | 8.9 Ų | 8.9 | 7% | 0.065 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.2 | -177.3 | -56.2 | -179.5 | 130.6 | 0 | 0 | 110 | K20 G29 I35 Q155 | K20-E158 IonicContact NZ-OE1 2.68Å; K20-E158 PolarHBondContact NZ-OE1 3.31Å; K20-E158 IonicContact NZ-OE2 2.68Å; K20-E158 PolarHBondContact NZ-OE2 3.04Å; G29-E158 CarbonylContact O-C 3.57Å; G29-E158 WeakPolarHBondContact O-CA 3.49Å; I35-E158 HydrophobicContact CD1-CB 3.8Å; I35-E158 VanDerWaalsContact CD1-CD 3.48Å; I35-E158 HydrophobicContact CD1-CG 4.15Å; I35-E158 WeakPolarHBondContact CD1-OE2 3.38Å; Q155-E158 PolarHBondContact N-O 2.78Å; Q155-E158 PolarHBondContact O-N 2.91Å; Q155-E158 VanDerWaalsContact O-N 3.15Å |
| 159 | W | 96.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 8.8 Ų | 8.8 | 3% | 0.03 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 134.8 | 167.2 | -73.6 | 89.5 | 0 | 0 | 0 | 110 | G29 H31 A34 I35 R133 V134 Q152 W154 | G29-W159 PolarHBondContact O-N 2.89Å; H31-W159 HydrophobicContact CB-CD2 4.09Å; H31-W159 HydrophobicContact CB-CG 3.9Å; H31-W159 AromaticContact CD2-CD2 3.72Å; H31-W159 AromaticContact CD2-CE2 3.97Å; H31-W159 AromaticContact CD2-CE3 3.74Å; H31-W159 AromaticContact CD2-CZ3 3.99Å; A34-W159 CarbonylContact C-O 3.53Å; A34-W159 WeakPolarHBondContact CA-O 3.35Å; A34-W159 HydrophobicContact CB-CB 4.08Å; I35-W159 PolarHBondContact N-O 3.24Å; R133-W159 HydrophobicContact CB-CH2 4.24Å; V134-W159 HydrophobicContact CG2-CZ3 4.43Å; Q152-W159 HydrophobicContact CB-CE3 4.01Å; Q152-W159 HydrophobicContact CB-CZ3 4.34Å; W154-W159 HydrophobicContact CB-CD2 4.23Å; W154-W159 HydrophobicContact CB-CE3 4.3Å; W154-W159 HydrophobicContact CB-CH2 4.41Å; W154-W159 HydrophobicContact CB-CZ2 4.32Å; W154-W159 HydrophobicContact CB-CZ3 4.4Å; W154-W159 AromaticContact CD1-NE1 3.76Å |
| 160 | V | 98 | Very high | 97.6 | Very high | 12 Ų | 12 | 9.1 Ų | 9.1 | 7% | 0.073 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.7 | -176 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | I35 Y37 Q152 L153 Q155 V162 | I35-V160 HydrophobicContact CB-CG2 4.34Å; I35-V160 CarbonylContact O-C 3.56Å; I35-V160 VanDerWaalsContact O-CA 3.3Å; I35-V160 WeakPolarHBondContact O-CA 3.13Å; I35-V160 WeakPolarHBondContact O-CG1 3.3Å; Y37-V160 HydrophobicContact CD2-CG1 3.82Å; Y37-V160 HydrophobicContact CG-CG1 4.13Å; Q152-V160 CarbonylContact C-O 3.57Å; Q152-V160 WeakPolarHBondContact CA-O 3.48Å; L153-V160 PolarHBondContact N-O 3.05Å; L153-V160 PolarHBondContact O-N 3.02Å; Q155-V160 HydrophobicContact CB-CG2 3.9Å; Q155-V160 HydrophobicContact CG-CB 4.38Å; Q155-V160 HydrophobicContact CG-CG2 4.06Å; V160-V162 HydrophobicContact CG1-CG2 4.06Å |
| 161 | D | 98.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 11.5 Ų | 11.5 | 9% | 0.086 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120 | 174.5 | -161.6 | -90.9 | 0 | 0 | 0 | 109.4 | A34 I35 Y37 H150 Q152 | A34-D161 HydrophobicContact CB-CB 4.11Å; I35-D161 PolarHBondContact O-N 3.39Å; Y37-D161 VanDerWaalsContact CB-O 3.24Å; Y37-D161 WeakPolarHBondContact CB-O 3.43Å; Y37-D161 PolarHBondContact N-O 3.31Å; H150-D161 IonicContact CE1-OD2 3.77Å; H150-D161 PolarHBondContact CE1-OD2 3.27Å; H150-D161 IonicContact CG-OD1 3.37Å; H150-D161 VanDerWaalsContact ND1-CG 3.35Å; H150-D161 IonicContact ND1-OD1 2.72Å; H150-D161 PolarHBondContact ND1-OD1 2.98Å; H150-D161 IonicContact ND1-OD2 3.63Å; H150-D161 PolarHBondContact ND1-OD2 2.95Å; Q152-D161 HydrophobicContact CG-CB 4.47Å; Q152-D161 VanDerWaalsContact CG-OD2 3.31Å; Q152-D161 WeakPolarHBondContact CG-OD2 3.26Å; Q152-D161 PolarHBondContact NE2-OD2 3.43Å; Q152-D161 VanDerWaalsContact NE2-OD2 3.12Å |
| 162 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 110 | -171.7 | -174 | 0 | 0 | 0 | 0 | 109 | Y37 H150 F151 L153 V160 A194 K197 V198 | Y37-V162 HydrophobicContact CD1-CG1 4.34Å; Y37-V162 HydrophobicContact CG-CG2 4.44Å; H150-V162 VanDerWaalsContact CA-O 3.26Å; H150-V162 WeakPolarHBondContact CA-O 3.45Å; F151-V162 PolarHBondContact N-O 2.61Å; F151-V162 PolarHBondContact O-N 2.77Å; L153-V162 HydrophobicContact CD1-CG2 4.21Å; L153-V162 HydrophobicContact CG-CG2 4.48Å; V160-V162 HydrophobicContact CG1-CG2 4.06Å; V162-A194 HydrophobicContact CB-CB 4.36Å; V162-A194 HydrophobicContact CG1-CB 3.98Å; V162-K197 HydrophobicContact CG1-CD 4.1Å; V162-K197 HydrophobicContact CG1-CG 4.49Å; V162-V198 HydrophobicContact CB-CG2 4.28Å; V162-V198 HydrophobicContact CG1-CG2 3.9Å; V162-V198 HydrophobicContact CG2-CG2 3.37Å |
| 163 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 139.2 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 110 | Q40 L45 F56 I148 F149 H150 K197 | Q40-V163 HydrophobicContact CB-CB 4.25Å; Q40-V163 HydrophobicContact CB-CG2 4.14Å; L45-V163 HydrophobicContact CD1-CG1 4.25Å; F56-V163 HydrophobicContact CE1-CG1 3.85Å; F56-V163 HydrophobicContact CZ-CG1 4.19Å; I148-V163 HydrophobicContact CD1-CG1 3.57Å; I148-V163 HydrophobicContact CG1-CG1 3.58Å; F149-V163 WeakPolarHBondContact O-CA 3.3Å; H150-V163 HydrophobicContact CB-CG2 4.35Å; V163-K197 PolarHBondContact O-NZ 3.39Å |
| 164 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 150.6 | 171.2 | -69.6 | 0 | 0 | 0 | 0 | 110.6 | I148 F149 F151 K193 A194 K197 | I148-V164 WeakPolarHBondContact CA-O 3.47Å; F149-V164 HydrophobicContact CB-CG2 4.34Å; F149-V164 PolarHBondContact N-O 3.46Å; F149-V164 PolarHBondContact O-N 3.04Å; F151-V164 HydrophobicContact CD2-CG2 4.32Å; F151-V164 HydrophobicContact CE2-CG2 4.01Å; V164-K193 HydrophobicContact CB-CD 4.47Å; V164-K193 HydrophobicContact CG1-CG 4.39Å; V164-A194 HydrophobicContact CG1-CB 3.86Å; V164-A194 HydrophobicContact CG2-CB 4.42Å; V164-K197 HydrophobicContact CG1-CD 3.96Å |
| 165 | D | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 167.3 | 160.4 | 71.3 | 34.4 | 0 | 0 | 0 | 111.1 | F56 R57 D58 G147 L167 K193 | F56-D165 HydrophobicContact CD1-CB 3.68Å; F56-D165 HydrophobicContact CE1-CB 4.23Å; F56-D165 WeakPolarHBondContact O-CB 3.12Å; R57-D165 WeakPolarHBondContact CA-OD2 3.39Å; D58-D165 HydrophobicContact CB-CB 4.27Å; D58-D165 PolarHBondContact N-OD2 2.68Å; G147-D165 VanDerWaalsContact O-CA 3.23Å; G147-D165 WeakPolarHBondContact O-CA 3.48Å; G147-D165 WeakPolarHBondContact O-CB 3.26Å; D165-L167 WeakPolarHBondContact OD1-CB 3.29Å; D165-L167 PolarHBondContact OD1-N 2.91Å; D165-L167 VanDerWaalsContact OD1-N 3.1Å; D165-K193 PolarHBondContact O-NZ 2.99Å; D165-K193 IonicContact OD1-NZ 3.47Å; D165-K193 PolarHBondContact OD1-NZ 2.61Å |
| 166 | D | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -92.6 | 16.9 | -179.3 | 68 | -13.5 | 0 | 0 | 0 | 114.7 | R87 P88 F141 Y145 G147 F149 L168 L190 | R87-D166 WeakPolarHBondContact CA-O 3.44Å; R87-D166 WeakPolarHBondContact CD-OD1 3.35Å; R87-D166 WeakPolarHBondContact CG-OD1 3.18Å; R87-D166 IonicContact CZ-OD1 2.72Å; R87-D166 IonicContact NE-OD1 2.75Å; R87-D166 IonicContact NH1-OD1 2.94Å; R87-D166 PolarHBondContact NH1-OD1 2.93Å; P88-D166 WeakPolarHBondContact CD-O 3.15Å; F141-D166 HydrophobicContact CE1-CB 4.28Å; F141-D166 WeakPolarHBondContact CE1-OD2 3.43Å; Y145-D166 VanDerWaalsContact CE2-OD2 3.23Å; Y145-D166 WeakPolarHBondContact CE2-OD2 3.31Å; Y145-D166 PolarHBondContact OH-OD2 2.97Å; G147-D166 PolarHBondContact O-N 3.06Å; F149-D166 HydrophobicContact CD2-CB 3.94Å; F149-D166 HydrophobicContact CE2-CB 3.73Å; D166-L168 PolarHBondContact O-N 2.74Å; D166-L190 HydrophobicContact CB-CD2 3.93Å |
| 167 | L | 98.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 29 Ų | 29 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | trans | -70.6 | 118.9 | 171.6 | -71.6 | 164.7 | 0 | 0 | 0 | 109.9 | P63 W85 R87 D165 K193 | P63-L167 HydrophobicContact CB-CD1 4.06Å; P63-L167 HydrophobicContact CG-CD1 3.88Å; W85-L167 HydrophobicContact CB-CB 4.33Å; W85-L167 HydrophobicContact CB-CD2 4.46Å; W85-L167 HydrophobicContact CE3-CB 4.07Å; W85-L167 WeakPolarHBondContact CZ3-O 3.48Å; R87-L167 HydrophobicContact CG-CD2 3.6Å; R87-L167 HydrophobicContact CG-CG 4.03Å; D165-L167 WeakPolarHBondContact OD1-CB 3.29Å; D165-L167 PolarHBondContact OD1-N 2.91Å; D165-L167 VanDerWaalsContact OD1-N 3.1Å; L167-K193 WeakPolarHBondContact O-CE 3.47Å; L167-K193 PolarHBondContact O-NZ 3.22Å | ||
| 168 | L | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 146.1 | -179.2 | -67.6 | 167.7 | 0 | 0 | 0 | 111.4 | W85 K86 P88 D166 I170 L175 F186 A189 L190 K193 | W85-L168 WeakPolarHBondContact CA-O 3.44Å; K86-L168 PolarHBondContact N-O 3.4Å; K86-L168 PolarHBondContact O-N 3.35Å; P88-L168 HydrophobicContact CG-CD1 4.16Å; D166-L168 PolarHBondContact O-N 2.74Å; L168-I170 PolarHBondContact O-N 3.32Å; L168-L175 HydrophobicContact CB-CD2 3.54Å; L168-L175 HydrophobicContact CD1-CD2 3.68Å; L168-L175 HydrophobicContact CG-CD2 4.16Å; L168-F186 HydrophobicContact CD1-CD1 3.88Å; L168-F186 HydrophobicContact CD1-CE1 4.5Å; L168-A189 HydrophobicContact CD1-CB 3.88Å; L168-A189 HydrophobicContact CD2-CB 4.09Å; L168-L190 HydrophobicContact CD1-CD2 4.5Å; L168-L190 HydrophobicContact CD2-CD2 4.16Å; L168-L190 HydrophobicContact CG-CD2 4.42Å; L168-K193 HydrophobicContact CD2-CD 4.26Å |
| 169 | P | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 120.7 | 173.1 | -24.3 | 37.8 | 0 | 0 | 0 | 111.9 | L68 I83 W85 V176 F177 Y202 | L68-P169 HydrophobicContact CD2-CB 3.99Å; L68-P169 HydrophobicContact CD2-CG 3.65Å; I83-P169 HydrophobicContact CG2-CB 3.87Å; W85-P169 HydrophobicContact CD2-CG 4.31Å; W85-P169 HydrophobicContact CE3-CG 4.06Å; W85-P169 HydrophobicContact CH2-CG 3.79Å; W85-P169 HydrophobicContact CZ2-CG 4.02Å; W85-P169 HydrophobicContact CZ3-CG 3.79Å; P169-V176 HydrophobicContact CB-CB 4.34Å; P169-V176 HydrophobicContact CB-CG2 4.38Å; P169-V176 WeakPolarHBondContact O-CG2 3.48Å; P169-V176 PolarHBondContact O-N 3.25Å; P169-F177 HydrophobicContact CB-CD2 4.18Å; P169-F177 HydrophobicContact CB-CE2 3.97Å; P169-F177 HydrophobicContact CG-CD2 3.94Å; P169-F177 HydrophobicContact CG-CE2 3.72Å; P169-Y202 HydrophobicContact CG-CE2 4Å |
| 170 | I | 97.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.4 | -179.4 | -58.6 | -59.2 | 0 | 0 | 0 | 110 | I83 K84 K86 L91 L168 K174 L175 | I83-I170 WeakPolarHBondContact CA-O 3.28Å; K84-I170 PolarHBondContact N-O 3Å; K84-I170 PolarHBondContact O-N 2.86Å; K86-I170 HydrophobicContact CB-CG1 4Å; L91-I170 HydrophobicContact CD1-CD1 3.57Å; L91-I170 HydrophobicContact CD1-CG1 4.01Å; L91-I170 HydrophobicContact CD2-CG1 4.36Å; L168-I170 PolarHBondContact O-N 3.32Å; I170-K174 CarbonylContact C-O 3.53Å; I170-K174 VanDerWaalsContact CA-O 3.27Å; I170-K174 WeakPolarHBondContact CA-O 3.23Å; I170-K174 WeakPolarHBondContact CG2-O 3.27Å; I170-L175 HydrophobicContact CD1-CB 4.41Å; I170-L175 HydrophobicContact CD1-CD2 3.48Å; I170-L175 VanDerWaalsContact CD1-CD2 3.48Å; I170-L175 HydrophobicContact CD1-CG 3.87Å |
| 171 | K | 95.4 | Very high | 96.3 | Very high | 73 Ų | 73 | 33.4 Ų | 33.4 | 32% | 0.317 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.5 | 168.8 | -168.9 | 173.8 | -178.7 | 170.2 | 0 | 108.8 | Y81 I83 G173 K174 V176 | Y81-K171 WeakPolarHBondContact O-CE 3.5Å; Y81-K171 PolarHBondContact O-NZ 3.43Å; I83-K171 HydrophobicContact CG1-CB 4.39Å; I83-K171 HydrophobicContact CG1-CD 4.41Å; K171-G173 PolarHBondContact O-N 3.46Å; K171-G173 VanDerWaalsContact O-N 3.08Å; K171-K174 PolarHBondContact N-O 2.93Å; K171-K174 PolarHBondContact O-N 3.06Å; K171-V176 HydrophobicContact CB-CG2 3.6Å |
| 172 | D | 93.7 | Very high | 95.8 | Very high | 152 Ų | 152 | 37.8 Ų | 37.8 | 81% | 0.813 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.6 | 179.6 | -53.3 | -40.1 | 0 | 0 | 0 | 113.8 | K174 | D172-K174 VanDerWaalsContact C-N 3.3Å; D172-K174 PolarHBondContact O-N 3.33Å |
| 173 | G | 91.2 | Very high | 95.4 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 61% | 0.608 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 1.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K171 | K171-G173 PolarHBondContact O-N 3.46Å; K171-G173 VanDerWaalsContact O-N 3.08Å |
| 174 | K | 94.3 | Very high | 95.2 | Very high | 161 Ų | 161 | 42.4 Ų | 42.4 | 70% | 0.7 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 153 | 179.8 | -61.8 | -174.9 | 178.2 | -172.4 | 0 | 112.1 | I170 K171 D172 | I170-K174 CarbonylContact C-O 3.53Å; I170-K174 VanDerWaalsContact CA-O 3.27Å; I170-K174 WeakPolarHBondContact CA-O 3.23Å; I170-K174 WeakPolarHBondContact CG2-O 3.27Å; K171-K174 PolarHBondContact N-O 2.93Å; K171-K174 PolarHBondContact O-N 3.06Å; D172-K174 VanDerWaalsContact C-N 3.3Å; D172-K174 PolarHBondContact O-N 3.33Å |
| 175 | L | 96.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 135.6 | 169.4 | -73.8 | 167.5 | 0 | 0 | 0 | 110.1 | L168 I170 H179 F186 A189 | L168-L175 HydrophobicContact CB-CD2 3.54Å; L168-L175 HydrophobicContact CD1-CD2 3.68Å; L168-L175 HydrophobicContact CG-CD2 4.16Å; I170-L175 HydrophobicContact CD1-CB 4.41Å; I170-L175 HydrophobicContact CD1-CD2 3.48Å; I170-L175 VanDerWaalsContact CD1-CD2 3.48Å; I170-L175 HydrophobicContact CD1-CG 3.87Å; L175-H179 HydrophobicContact CB-CB 4.11Å; L175-H179 HydrophobicContact CD1-CB 3.61Å; L175-F186 HydrophobicContact CD1-CD1 4.22Å; L175-F186 HydrophobicContact CD1-CE1 3.99Å; L175-A189 HydrophobicContact CD1-CB 4.41Å |
| 176 | V | 96 | Very high | 95 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 13% | 0.127 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -82.5 | -32.3 | -179.7 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | I83 G110 A111 P169 K171 | I83-V176 HydrophobicContact CD1-CG1 4.21Å; I83-V176 HydrophobicContact CD1-CG2 4.25Å; I83-V176 HydrophobicContact CG1-CG2 4.26Å; G110-V176 CarbonylContact C-O 3.42Å; G110-V176 WeakPolarHBondContact CA-O 3.43Å; A111-V176 HydrophobicContact CB-CG1 4.25Å; A111-V176 PolarHBondContact N-O 3.11Å; P169-V176 HydrophobicContact CB-CB 4.34Å; P169-V176 HydrophobicContact CB-CG2 4.38Å; P169-V176 WeakPolarHBondContact O-CG2 3.48Å; P169-V176 PolarHBondContact O-N 3.25Å; K171-V176 HydrophobicContact CB-CG2 3.6Å |
| 177 | F | 96.7 | Very high | 95 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -110.8 | -151 | -174.8 | -54.7 | -49.9 | 0 | 0 | 0 | 111 | L68 L73 G110 L112 P169 H179 E192 Y202 | L68-F177 HydrophobicContact CD2-CE2 3.9Å; L68-F177 HydrophobicContact CD2-CZ 4.17Å; L73-F177 HydrophobicContact CD1-CE1 4.12Å; L73-F177 HydrophobicContact CD1-CZ 4.11Å; G110-F177 WeakPolarHBondContact CA-O 2.87Å; L112-F177 HydrophobicContact CB-CD1 3.6Å; L112-F177 HydrophobicContact CB-CE1 3.88Å; L112-F177 HydrophobicContact CD2-CD1 4.22Å; L112-F177 HydrophobicContact CD2-CE1 4.33Å; L112-F177 HydrophobicContact CG-CD1 4.49Å; P169-F177 HydrophobicContact CB-CD2 4.18Å; P169-F177 HydrophobicContact CB-CE2 3.97Å; P169-F177 HydrophobicContact CG-CD2 3.94Å; P169-F177 HydrophobicContact CG-CE2 3.72Å; F177-H179 PolarHBondContact O-N 3.46Å; F177-H179 PolarHBondContact O-ND1 3.09Å; F177-H179 VanDerWaalsContact O-ND1 3.15Å; F177-E192 WeakPolarHBondContact CB-OE2 3.37Å; F177-Y202 HydrophobicContact CB-CE1 4.45Å; F177-Y202 AromaticContact CD2-CD1 3.37Å; F177-Y202 HydrophobicContact CD2-CD1 3.37Å; F177-Y202 HydrophobicContact CD2-CD2 4.27Å; F177-Y202 AromaticContact CD2-CE1 3.3Å; F177-Y202 HydrophobicContact CD2-CE1 3.3Å; F177-Y202 HydrophobicContact CD2-CE2 4.21Å; F177-Y202 AromaticContact CD2-CG 3.86Å; F177-Y202 HydrophobicContact CD2-CG 3.86Å; F177-Y202 AromaticContact CD2-CZ 3.73Å; F177-Y202 AromaticContact CE2-CD1 3.39Å; F177-Y202 HydrophobicContact CE2-CD1 3.39Å; F177-Y202 AromaticContact CE2-CD2 3.66Å; F177-Y202 HydrophobicContact CE2-CD2 3.66Å; F177-Y202 AromaticContact CE2-CE1 3.71Å; F177-Y202 HydrophobicContact CE2-CE1 3.71Å; F177-Y202 AromaticContact CE2-CE2 3.95Å; F177-Y202 HydrophobicContact CE2-CE2 3.95Å; F177-Y202 AromaticContact CE2-CG 3.34Å; F177-Y202 HydrophobicContact CE2-CG 3.34Å; F177-Y202 AromaticContact CE2-CZ 3.95Å; F177-Y202 HydrophobicContact CG-CD1 4.05Å; F177-Y202 HydrophobicContact CG-CE1 4.11Å; F177-Y202 HydrophobicContact CZ-CD1 4.1Å; F177-Y202 HydrophobicContact CZ-CD2 4.47Å; F177-Y202 AromaticContact CZ-CG 3.91Å; F177-Y202 HydrophobicContact CZ-CG 3.91Å |
| 178 | V | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | trans | -56.4 | 142.5 | -177 | 75.3 | 0 | 0 | 0 | 0 | 112.1 | I107 C108 L118 S188 A189 E192 | I107-V178 HydrophobicContact CG2-CG2 4.01Å; C108-V178 WeakPolarHBondContact O-CA 3.37Å; L118-V178 HydrophobicContact CD1-CB 4.31Å; L118-V178 HydrophobicContact CD1-CG2 4.14Å; L118-V178 HydrophobicContact CD2-CB 3.81Å; L118-V178 HydrophobicContact CD2-CG1 4.39Å; L118-V178 HydrophobicContact CD2-CG2 3.72Å; V178-S188 WeakPolarHBondContact CG1-O 3.22Å; V178-A189 HydrophobicContact CG1-CB 4.43Å; V178-A189 WeakPolarHBondContact O-CB 3.4Å; V178-E192 WeakPolarHBondContact CB-OE1 3.33Å; V178-E192 HydrophobicContact CG1-CB 3.55Å; V178-E192 VanDerWaalsContact CG1-CD 3.44Å; V178-E192 HydrophobicContact CG1-CG 4.04Å; V178-E192 WeakPolarHBondContact CG1-OE1 3.35Å; V178-E192 PolarHBondContact N-OE1 3.28Å; V178-E192 VanDerWaalsContact N-OE1 3.14Å; V178-E192 PolarHBondContact N-OE2 3.13Å | ||
| 179 | H | 95.2 | Very high | 94.9 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -149.5 | 162.3 | 176.2 | 55.9 | -75.4 | 0 | 0 | 0 | 110.4 | D106 C108 L175 F177 | D106-H179 CarbonylContact O-C 3.57Å; D106-H179 VanDerWaalsContact O-O 3.12Å; C108-H179 WeakPolarHBondContact CB-O 3.43Å; C108-H179 PolarHBondContact N-O 3.35Å; C108-H179 PolarHBondContact O-N 2.97Å; C108-H179 VanDerWaalsContact O-N 3.16Å; C108-H179 PolarHBondContact O-ND1 3.29Å; L175-H179 HydrophobicContact CB-CB 4.11Å; L175-H179 HydrophobicContact CD1-CB 3.61Å; F177-H179 PolarHBondContact O-N 3.46Å; F177-H179 PolarHBondContact O-ND1 3.09Å; F177-H179 VanDerWaalsContact O-ND1 3.15Å |
| 180 | S | 93.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | trans | -81.9 | 148.2 | 173.1 | -178.5 | 0 | 0 | 0 | 0 | 111 | D106 E182 E185 | D106-S180 WeakPolarHBondContact CA-OG 3.45Å; D106-S180 VanDerWaalsContact O-CA 3.28Å; D106-S180 WeakPolarHBondContact O-CA 3.41Å; D106-S180 PolarHBondContact O-N 3.27Å; S180-E182 WeakPolarHBondContact CB-O 3.47Å; S180-E182 PolarHBondContact O-N 3.21Å; S180-E182 PolarHBondContact OG-N 3.33Å; S180-E182 PolarHBondContact OG-O 2.92Å; S180-E185 PolarHBondContact OG-OE2 2.95Å | ||
| 181 | A | 89 | Confident | 95 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 59% | 0.587 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -62.2 | -29.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111 | T105 G183 | T105-A181 PolarHBondContact O-N 3.3Å; A181-G183 PolarHBondContact O-N 3.27Å |
| 182 | E | 88.1 | Confident | 95.1 | Very high | 109 Ų | 109 | 38 Ų | 38 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -79.9 | 109.6 | 169.1 | -171.2 | 60.6 | -112.2 | 0 | 0 | 109.2 | V99 S180 N184 E185 | V99-E182 HydrophobicContact CG1-CG 4.43Å; V99-E182 HydrophobicContact CG2-CG 4.48Å; S180-E182 WeakPolarHBondContact CB-O 3.47Å; S180-E182 PolarHBondContact O-N 3.21Å; S180-E182 PolarHBondContact OG-N 3.33Å; S180-E182 PolarHBondContact OG-O 2.92Å; E182-N184 WeakPolarHBondContact CG-OD1 3.04Å; E182-N184 PolarHBondContact O-N 2.96Å; E182-E185 HydrophobicContact CB-CB 4.41Å; E182-E185 PolarHBondContact O-N 3Å; E182-E185 VanDerWaalsContact O-N 3.13Å |
| 183 | G | 88.9 | Confident | 95.4 | Very high | 56 Ų | 56 | 30.8 Ų | 30.8 | 58% | 0.577 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.9 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L92 A181 | L92-G183 WeakPolarHBondContact CD1-O 3.38Å; A181-G183 PolarHBondContact O-N 3.27Å |
| 184 | N | 95 | Very high | 95.7 | Very high | 41 Ų | 41 | 28 Ų | 28 | 22% | 0.219 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 9 | 179.4 | 73.6 | -24.2 | 0 | 0 | 0 | 114.8 | L92 Q96 E182 F186 | L92-N184 HydrophobicContact CD1-CB 4.01Å; Q96-N184 PolarHBondContact N-O 2.92Å; E182-N184 WeakPolarHBondContact CG-OD1 3.04Å; E182-N184 PolarHBondContact O-N 2.96Å; N184-F186 VanDerWaalsContact C-CE2 3.46Å; N184-F186 VanDerWaalsContact O-CD2 3.28Å; N184-F186 WeakPolarHBondContact O-CD2 3.43Å; N184-F186 VanDerWaalsContact O-CE2 3.26Å; N184-F186 WeakPolarHBondContact O-CE2 3.3Å |
| 185 | E | 96.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -104.1 | 137.5 | -179.9 | -173.1 | -179 | -137.7 | 0 | 0 | 112.8 | Q96 F97 I98 V99 D106 S180 E182 | Q96-E185 WeakPolarHBondContact O-CA 3.19Å; F97-E185 WeakPolarHBondContact O-CG 3.4Å; I98-E185 VanDerWaalsContact CA-OE1 3.26Å; I98-E185 WeakPolarHBondContact CA-OE1 3.44Å; V99-E185 HydrophobicContact CG2-CB 3.97Å; V99-E185 HydrophobicContact CG2-CG 4.26Å; V99-E185 PolarHBondContact N-OE1 3.45Å; D106-E185 VanDerWaalsContact CB-OE2 3.31Å; D106-E185 WeakPolarHBondContact CB-OE2 3.23Å; S180-E185 PolarHBondContact OG-OE2 2.95Å; E182-E185 HydrophobicContact CB-CB 4.41Å; E182-E185 PolarHBondContact O-N 3Å; E182-E185 VanDerWaalsContact O-N 3.13Å |
| 186 | F | 97.8 | Very high | 96 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | trans | -133.6 | -0.5 | -166.6 | -66.1 | -86.2 | 0 | 0 | 0 | 116.8 | P88 L92 P95 Q96 F97 F141 L168 L175 N184 S188 A189 L190 | P88-F186 HydrophobicContact CB-CD1 4.02Å; P88-F186 HydrophobicContact CB-CD2 3.82Å; P88-F186 HydrophobicContact CB-CE1 3.92Å; P88-F186 HydrophobicContact CB-CE2 3.74Å; P88-F186 HydrophobicContact CB-CG 3.97Å; P88-F186 HydrophobicContact CB-CZ 3.79Å; P88-F186 HydrophobicContact CG-CB 4.3Å; P88-F186 HydrophobicContact CG-CD1 3.61Å; P88-F186 HydrophobicContact CG-CD2 4.12Å; P88-F186 HydrophobicContact CG-CE1 3.89Å; P88-F186 HydrophobicContact CG-CE2 4.39Å; P88-F186 HydrophobicContact CG-CG 3.74Å; P88-F186 HydrophobicContact CG-CZ 4.28Å; L92-F186 HydrophobicContact CD1-CE2 3.85Å; L92-F186 HydrophobicContact CD1-CZ 3.66Å; P95-F186 HydrophobicContact CB-CD2 3.94Å; P95-F186 HydrophobicContact CB-CE2 3.7Å; Q96-F186 PolarHBondContact O-N 3.39Å; Q96-F186 VanDerWaalsContact O-N 3.14Å; F97-F186 PolarHBondContact O-N 3.45Å; F141-F186 HydrophobicContact CE2-CB 4.03Å; F141-F186 HydrophobicContact CE2-CD2 4.32Å; F141-F186 HydrophobicContact CZ-CB 4.02Å; F141-F186 HydrophobicContact CZ-CD2 4.49Å; F141-F186 HydrophobicContact CZ-CG 4.44Å; L168-F186 HydrophobicContact CD1-CD1 3.88Å; L168-F186 HydrophobicContact CD1-CE1 4.5Å; L175-F186 HydrophobicContact CD1-CD1 4.22Å; L175-F186 HydrophobicContact CD1-CE1 3.99Å; N184-F186 VanDerWaalsContact C-CE2 3.46Å; N184-F186 VanDerWaalsContact O-CD2 3.28Å; N184-F186 WeakPolarHBondContact O-CD2 3.43Å; N184-F186 VanDerWaalsContact O-CE2 3.26Å; N184-F186 WeakPolarHBondContact O-CE2 3.3Å; F186-S188 VanDerWaalsContact C-N 3.29Å; F186-S188 PolarHBondContact O-N 2.65Å; F186-A189 PolarHBondContact O-N 3.41Å; F186-L190 HydrophobicContact CB-CD1 4.5Å; F186-L190 WeakPolarHBondContact O-CG 3.06Å; F186-L190 PolarHBondContact O-N 3.33Å; F186-L190 VanDerWaalsContact O-N 3.1Å | ||
| 187 | W | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.3 | -39.3 | -178 | 72.6 | -88.4 | 0 | 0 | 0 | 112.7 | F97 I98 A102 D106 I107 I121 T125 L131 V135 L190 L191 | F97-W187 HydrophobicContact CD1-CB 4.32Å; F97-W187 HydrophobicContact CD2-CB 4.06Å; F97-W187 HydrophobicContact CE1-CB 4.04Å; F97-W187 HydrophobicContact CE2-CB 3.77Å; F97-W187 HydrophobicContact CG-CB 4.33Å; F97-W187 HydrophobicContact CZ-CB 3.77Å; F97-W187 VanDerWaalsContact O-CB 3.27Å; F97-W187 WeakPolarHBondContact O-CB 3.38Å; F97-W187 PolarHBondContact O-N 3.08Å; I98-W187 HydrophobicContact CD1-CB 4.48Å; I98-W187 HydrophobicContact CD1-CG 4.43Å; I98-W187 HydrophobicContact CG1-CB 3.82Å; I98-W187 HydrophobicContact CG1-CG 3.75Å; A102-W187 HydrophobicContact CB-CD2 4.18Å; A102-W187 HydrophobicContact CB-CH2 4.45Å; A102-W187 HydrophobicContact CB-CZ2 3.72Å; D106-W187 HydrophobicContact CB-CZ2 4.1Å; D106-W187 PolarHBondContact OD2-NE1 2.84Å; I107-W187 HydrophobicContact CD1-CH2 3.91Å; I107-W187 HydrophobicContact CD1-CZ2 3.94Å; I121-W187 HydrophobicContact CG2-CH2 3.5Å; I121-W187 VanDerWaalsContact CG2-CH2 3.5Å; I121-W187 HydrophobicContact CG2-CZ3 3.75Å; T125-W187 HydrophobicContact CG2-CH2 3.74Å; T125-W187 HydrophobicContact CG2-CZ2 3.9Å; L131-W187 HydrophobicContact CD1-CH2 4.06Å; L131-W187 HydrophobicContact CD1-CZ3 3.96Å; V135-W187 HydrophobicContact CG2-CE3 3.91Å; V135-W187 HydrophobicContact CG2-CZ3 4.07Å; W187-L190 PolarHBondContact O-N 2.95Å; W187-L191 HydrophobicContact CE3-CD2 4.31Å; W187-L191 HydrophobicContact CZ3-CD2 3.8Å; W187-L191 WeakPolarHBondContact O-CB 3.12Å; W187-L191 PolarHBondContact O-N 3.33Å |
| 188 | S | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.3 | -44.9 | -178.2 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | D106 V178 F186 L190 L191 E192 | D106-S188 WeakPolarHBondContact O-CB 3.46Å; D106-S188 PolarHBondContact O-OG 3.04Å; V178-S188 WeakPolarHBondContact CG1-O 3.22Å; F186-S188 VanDerWaalsContact C-N 3.29Å; F186-S188 PolarHBondContact O-N 2.65Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 2.98Å; S188-L191 PolarHBondContact O-N 2.89Å; S188-E192 PolarHBondContact O-N 3.15Å |
| 189 | A | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L168 L175 V178 F186 K193 | L168-A189 HydrophobicContact CD1-CB 3.88Å; L168-A189 HydrophobicContact CD2-CB 4.09Å; L175-A189 HydrophobicContact CD1-CB 4.41Å; V178-A189 HydrophobicContact CG1-CB 4.43Å; V178-A189 WeakPolarHBondContact O-CB 3.4Å; F186-A189 PolarHBondContact O-N 3.41Å; A189-K193 WeakPolarHBondContact O-CB 3.36Å; A189-K193 PolarHBondContact O-N 3.4Å; A189-K193 VanDerWaalsContact O-N 3.1Å |
| 190 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.6 | -34.2 | 178.3 | -67.8 | 172.6 | 0 | 0 | 0 | 112.5 | F97 F141 F149 F151 D166 L168 F186 W187 S188 K193 A194 | F97-L190 HydrophobicContact CD2-CD1 4.1Å; F97-L190 HydrophobicContact CE2-CD1 3.93Å; F141-L190 HydrophobicContact CZ-CD1 4.11Å; F149-L190 HydrophobicContact CB-CD1 4.36Å; F149-L190 HydrophobicContact CD1-CD1 4.08Å; F149-L190 HydrophobicContact CD2-CD1 3.68Å; F149-L190 HydrophobicContact CE1-CD1 4.31Å; F149-L190 HydrophobicContact CE2-CD1 3.95Å; F149-L190 HydrophobicContact CG-CD1 3.77Å; F149-L190 HydrophobicContact CZ-CD1 4.26Å; F151-L190 VanDerWaalsContact CE2-C 3.46Å; F151-L190 HydrophobicContact CE2-CB 3.77Å; F151-L190 WeakPolarHBondContact CE2-O 3.42Å; F151-L190 HydrophobicContact CZ-CB 3.6Å; D166-L190 HydrophobicContact CB-CD2 3.93Å; L168-L190 HydrophobicContact CD1-CD2 4.5Å; L168-L190 HydrophobicContact CD2-CD2 4.16Å; L168-L190 HydrophobicContact CG-CD2 4.42Å; F186-L190 HydrophobicContact CB-CD1 4.5Å; F186-L190 WeakPolarHBondContact O-CG 3.06Å; F186-L190 PolarHBondContact O-N 3.33Å; F186-L190 VanDerWaalsContact O-N 3.1Å; W187-L190 PolarHBondContact O-N 2.95Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 2.98Å; L190-K193 WeakPolarHBondContact O-CB 3.36Å; L190-K193 PolarHBondContact O-N 3.32Å; L190-A194 PolarHBondContact O-N 3.49Å |
| 191 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.2 | -47.4 | 173.9 | 174.8 | 58.3 | 0 | 0 | 0 | 111.1 | I121 V134 V135 F151 L153 W187 S188 K193 A194 Y195 F217 | I121-L191 HydrophobicContact CD1-CD2 4.01Å; I121-L191 HydrophobicContact CD1-CG 4.33Å; I121-L191 HydrophobicContact CG1-CD2 4.03Å; I121-L191 HydrophobicContact CG2-CD2 4.09Å; V134-L191 HydrophobicContact CG1-CD1 3.7Å; V134-L191 HydrophobicContact CG1-CD2 4.24Å; V135-L191 HydrophobicContact CG2-CD2 4.29Å; F151-L191 HydrophobicContact CB-CD1 4.09Å; F151-L191 HydrophobicContact CD1-CB 4.02Å; F151-L191 HydrophobicContact CD1-CD1 3.65Å; F151-L191 HydrophobicContact CD1-CG 4.38Å; F151-L191 HydrophobicContact CE1-CB 3.75Å; F151-L191 HydrophobicContact CE1-CD1 4.28Å; F151-L191 HydrophobicContact CG-CD1 3.91Å; F151-L191 HydrophobicContact CZ-CB 4.14Å; L153-L191 HydrophobicContact CD2-CD1 4.14Å; W187-L191 HydrophobicContact CE3-CD2 4.31Å; W187-L191 HydrophobicContact CZ3-CD2 3.8Å; W187-L191 WeakPolarHBondContact O-CB 3.12Å; W187-L191 PolarHBondContact O-N 3.33Å; S188-L191 PolarHBondContact O-N 2.89Å; L191-K193 VanDerWaalsContact C-N 3.26Å; L191-K193 PolarHBondContact O-N 2.68Å; L191-A194 PolarHBondContact O-N 3.39Å; L191-A194 VanDerWaalsContact O-N 3.15Å; L191-Y195 WeakPolarHBondContact O-CB 3.47Å; L191-Y195 PolarHBondContact O-N 2.92Å; L191-F217 HydrophobicContact CD1-CE1 4.36Å |
| 192 | E | 98.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.4 | -41.1 | 174.8 | -175.4 | -160 | -115.3 | 0 | 0 | 110.7 | L117 F177 V178 S188 Y195 A196 Y202 L205 | L117-E192 HydrophobicContact CD2-CG 4.42Å; F177-E192 WeakPolarHBondContact CB-OE2 3.37Å; V178-E192 WeakPolarHBondContact CB-OE1 3.33Å; V178-E192 HydrophobicContact CG1-CB 3.55Å; V178-E192 VanDerWaalsContact CG1-CD 3.44Å; V178-E192 HydrophobicContact CG1-CG 4.04Å; V178-E192 WeakPolarHBondContact CG1-OE1 3.35Å; V178-E192 PolarHBondContact N-OE1 3.28Å; V178-E192 VanDerWaalsContact N-OE1 3.14Å; V178-E192 PolarHBondContact N-OE2 3.13Å; S188-E192 PolarHBondContact O-N 3.15Å; E192-Y195 PolarHBondContact O-N 3.11Å; E192-A196 WeakPolarHBondContact O-CB 3.43Å; E192-A196 PolarHBondContact O-N 3.02Å; E192-Y202 HydrophobicContact CG-CE1 4.22Å; E192-Y202 WeakPolarHBondContact OE2-CE1 3.32Å; E192-L205 HydrophobicContact CG-CD1 4.3Å |
| 193 | K | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 173.7 | -173.6 | 177.3 | 172.6 | -176 | 0 | 113.1 | F61 V164 D165 L167 L168 A189 L190 L191 Y195 A196 K197 Y202 | F61-K193 HydrophobicContact CD1-CG 4.44Å; F61-K193 HydrophobicContact CE1-CG 4.2Å; V164-K193 HydrophobicContact CB-CD 4.47Å; V164-K193 HydrophobicContact CG1-CG 4.39Å; D165-K193 PolarHBondContact O-NZ 2.99Å; D165-K193 IonicContact OD1-NZ 3.47Å; D165-K193 PolarHBondContact OD1-NZ 2.61Å; L167-K193 WeakPolarHBondContact O-CE 3.47Å; L167-K193 PolarHBondContact O-NZ 3.22Å; L168-K193 HydrophobicContact CD2-CD 4.26Å; A189-K193 WeakPolarHBondContact O-CB 3.36Å; A189-K193 PolarHBondContact O-N 3.4Å; A189-K193 VanDerWaalsContact O-N 3.1Å; L190-K193 WeakPolarHBondContact O-CB 3.36Å; L190-K193 PolarHBondContact O-N 3.32Å; L191-K193 VanDerWaalsContact C-N 3.26Å; L191-K193 PolarHBondContact O-N 2.68Å; K193-Y195 VanDerWaalsContact C-N 3.28Å; K193-Y195 PolarHBondContact O-N 2.7Å; K193-A196 WeakPolarHBondContact O-CB 3.44Å; K193-A196 PolarHBondContact O-N 3.46Å; K193-K197 WeakPolarHBondContact O-CB 3.3Å; K193-K197 PolarHBondContact O-N 3.23Å; K193-Y202 WeakPolarHBondContact CA-OH 3.4Å; K193-Y202 WeakPolarHBondContact CB-OH 3.33Å; K193-Y202 HydrophobicContact CG-CE2 4.47Å; K193-Y202 WeakPolarHBondContact CG-OH 3.29Å |
| 194 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F151 V162 V164 L190 L191 K197 V198 | F151-A194 HydrophobicContact CB-CB 4.19Å; F151-A194 HydrophobicContact CD2-CB 3.51Å; F151-A194 HydrophobicContact CE2-CB 4.26Å; F151-A194 HydrophobicContact CG-CB 4.13Å; V162-A194 HydrophobicContact CB-CB 4.36Å; V162-A194 HydrophobicContact CG1-CB 3.98Å; V164-A194 HydrophobicContact CG1-CB 3.86Å; V164-A194 HydrophobicContact CG2-CB 4.42Å; L190-A194 PolarHBondContact O-N 3.49Å; L191-A194 PolarHBondContact O-N 3.39Å; L191-A194 VanDerWaalsContact O-N 3.15Å; A194-K197 WeakPolarHBondContact O-CB 3.23Å; A194-K197 PolarHBondContact O-N 3.22Å; A194-V198 PolarHBondContact O-N 3.04Å; A194-V198 VanDerWaalsContact O-N 3.11Å |
| 195 | Y | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -66.7 | -41.2 | 175.8 | -160.7 | -91.4 | 0 | 0 | 0 | 112.2 | W116 L117 L153 L191 E192 K193 K197 V198 N199 L205 D216 F217 | W116-Y195 AromaticContact CH2-CE1 3.7Å; W116-Y195 HydrophobicContact CH2-CE1 3.7Å; W116-Y195 AromaticContact CH2-CZ 3.99Å; W116-Y195 HydrophobicContact CZ2-CE1 4.37Å; L117-Y195 HydrophobicContact CD1-CD1 3.8Å; L117-Y195 HydrophobicContact CD1-CD2 4.17Å; L117-Y195 HydrophobicContact CD1-CE1 3.75Å; L117-Y195 HydrophobicContact CD1-CE2 4.13Å; L117-Y195 HydrophobicContact CD1-CG 4.03Å; L117-Y195 HydrophobicContact CD2-CD1 3.52Å; L117-Y195 HydrophobicContact CD2-CE1 4.09Å; L117-Y195 HydrophobicContact CD2-CG 4.02Å; L117-Y195 HydrophobicContact CG-CD1 4.32Å; L153-Y195 HydrophobicContact CD1-CD2 3.74Å; L153-Y195 HydrophobicContact CD1-CG 4.44Å; L153-Y195 HydrophobicContact CD2-CD2 4.09Å; L191-Y195 WeakPolarHBondContact O-CB 3.47Å; L191-Y195 PolarHBondContact O-N 2.92Å; E192-Y195 PolarHBondContact O-N 3.11Å; K193-Y195 VanDerWaalsContact C-N 3.28Å; K193-Y195 PolarHBondContact O-N 2.7Å; Y195-K197 VanDerWaalsContact C-N 3.34Å; Y195-K197 PolarHBondContact O-N 2.9Å; Y195-V198 PolarHBondContact O-N 3.34Å; Y195-N199 WeakPolarHBondContact CD1-ND2 3.43Å; Y195-N199 WeakPolarHBondContact CE1-ND2 3.24Å; Y195-N199 PolarHBondContact O-N 3.31Å; Y195-N199 VanDerWaalsContact O-N 3.17Å; Y195-N199 PolarHBondContact O-ND2 3.38Å; Y195-L205 HydrophobicContact CD1-CD1 4.07Å; Y195-L205 HydrophobicContact CD1-CD2 3.41Å; Y195-L205 VanDerWaalsContact CD1-CD2 3.41Å; Y195-L205 HydrophobicContact CD1-CG 4.36Å; Y195-L205 HydrophobicContact CE1-CD2 3.69Å; Y195-D216 HydrophobicContact CE2-CB 3.79Å; Y195-D216 WeakPolarHBondContact CE2-OD2 3.33Å; Y195-D216 PolarHBondContact OH-OD2 2.75Å; Y195-F217 HydrophobicContact CD2-CE1 4.11Å; Y195-F217 HydrophobicContact CD2-CZ 4.48Å; Y195-F217 HydrophobicContact CE2-CE1 4.4Å |
| 196 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F61 E192 K193 N199 G200 S201 Y202 L205 | F61-A196 HydrophobicContact CZ-CB 4.2Å; E192-A196 WeakPolarHBondContact O-CB 3.43Å; E192-A196 PolarHBondContact O-N 3.02Å; K193-A196 WeakPolarHBondContact O-CB 3.44Å; K193-A196 PolarHBondContact O-N 3.46Å; A196-N199 CarbonylContact O-C 3.49Å; A196-N199 PolarHBondContact O-N 3Å; A196-G200 CarbonylContact O-C 3.57Å; A196-G200 PolarHBondContact O-N 3.4Å; A196-S201 PolarHBondContact O-N 2.7Å; A196-Y202 HydrophobicContact CB-CD1 3.81Å; A196-Y202 HydrophobicContact CB-CD2 4.08Å; A196-Y202 HydrophobicContact CB-CE1 4.06Å; A196-Y202 HydrophobicContact CB-CE2 4.33Å; A196-Y202 HydrophobicContact CB-CG 3.84Å; A196-L205 HydrophobicContact CB-CD1 3.8Å; A196-L205 HydrophobicContact CB-CG 4.32Å |
| 197 | K | 98 | Very high | 96.7 | Very high | 4 Ų | 4 | 8.1 Ų | 8.1 | 2% | 0.017 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.9 | -48.7 | 177.2 | 173.6 | 174.6 | 179.8 | 178 | 0 | 112.2 | Y37 D58 F61 V162 V163 V164 K193 A194 Y195 N199 G200 | Y37-K197 HydrophobicContact CE1-CG 4.05Å; D58-K197 VanDerWaalsContact CG-NZ 3.32Å; D58-K197 IonicContact OD1-NZ 2.63Å; D58-K197 PolarHBondContact OD1-NZ 3.24Å; D58-K197 WeakPolarHBondContact OD2-CE 3.23Å; D58-K197 IonicContact OD2-NZ 2.63Å; D58-K197 PolarHBondContact OD2-NZ 3.41Å; F61-K197 HydrophobicContact CB-CB 4.23Å; F61-K197 HydrophobicContact CB-CD 3.69Å; F61-K197 HydrophobicContact CB-CG 3.8Å; F61-K197 HydrophobicContact CD1-CB 4.09Å; F61-K197 HydrophobicContact CD2-CB 3.87Å; F61-K197 HydrophobicContact CD2-CG 3.98Å; F61-K197 HydrophobicContact CE1-CB 4.39Å; F61-K197 HydrophobicContact CE2-CB 4.2Å; F61-K197 HydrophobicContact CG-CB 3.8Å; F61-K197 HydrophobicContact CG-CD 4.2Å; F61-K197 HydrophobicContact CG-CG 3.88Å; F61-K197 HydrophobicContact CZ-CB 4.44Å; V162-K197 HydrophobicContact CG1-CD 4.1Å; V162-K197 HydrophobicContact CG1-CG 4.49Å; V163-K197 PolarHBondContact O-NZ 3.39Å; V164-K197 HydrophobicContact CG1-CD 3.96Å; K193-K197 WeakPolarHBondContact O-CB 3.3Å; K193-K197 PolarHBondContact O-N 3.23Å; A194-K197 WeakPolarHBondContact O-CB 3.23Å; A194-K197 PolarHBondContact O-N 3.22Å; Y195-K197 VanDerWaalsContact C-N 3.34Å; Y195-K197 PolarHBondContact O-N 2.9Å; K197-N199 PolarHBondContact O-N 2.96Å; K197-G200 PolarHBondContact O-N 3.14Å |
| 198 | V | 96.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 10 Ų | 10 | 5% | 0.048 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.4 | -35.7 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | Y37 L153 Q155 V162 A194 Y195 G200 R430 | Y37-V198 HydrophobicContact CD1-CG2 4.5Å; Y37-V198 HydrophobicContact CD2-CG2 4.48Å; Y37-V198 HydrophobicContact CE1-CG2 4.38Å; Y37-V198 HydrophobicContact CE2-CG1 4.49Å; Y37-V198 HydrophobicContact CE2-CG2 4.34Å; L153-V198 HydrophobicContact CD1-CG2 4.06Å; Q155-V198 HydrophobicContact CG-CG1 4.13Å; Q155-V198 VanDerWaalsContact OE1-CG1 3.28Å; V162-V198 HydrophobicContact CB-CG2 4.28Å; V162-V198 HydrophobicContact CG1-CG2 3.9Å; V162-V198 HydrophobicContact CG2-CG2 3.37Å; A194-V198 PolarHBondContact O-N 3.04Å; A194-V198 VanDerWaalsContact O-N 3.11Å; Y195-V198 PolarHBondContact O-N 3.34Å; V198-G200 VanDerWaalsContact C-N 3.32Å; V198-R430 WeakPolarHBondContact O-CD 3.4Å |
| 199 | N | 95.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 11.2 Ų | 11.2 | 5% | 0.053 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -85.4 | -0.8 | 177.2 | -72 | -75.1 | 0 | 0 | 0 | 114.1 | Y195 A196 K197 S204 L205 R429 | Y195-N199 WeakPolarHBondContact CD1-ND2 3.43Å; Y195-N199 WeakPolarHBondContact CE1-ND2 3.24Å; Y195-N199 PolarHBondContact O-N 3.31Å; Y195-N199 VanDerWaalsContact O-N 3.17Å; Y195-N199 PolarHBondContact O-ND2 3.38Å; A196-N199 CarbonylContact O-C 3.49Å; A196-N199 PolarHBondContact O-N 3Å; K197-N199 PolarHBondContact O-N 2.96Å; N199-S204 VanDerWaalsContact O-CB 3.26Å; N199-S204 WeakPolarHBondContact O-CB 3.36Å; N199-S204 PolarHBondContact O-OG 3.07Å; N199-L205 HydrophobicContact CB-CD2 3.75Å; N199-R429 HydrophobicContact CB-CB 4.46Å; N199-R429 WeakPolarHBondContact OD1-CB 3.45Å; N199-R429 WeakPolarHBondContact OD1-CD 3.33Å |
| 200 | G | 94.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 11.3 Ų | 11.3 | 36% | 0.361 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -20.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | A196 K197 V198 | A196-G200 CarbonylContact O-C 3.57Å; A196-G200 PolarHBondContact O-N 3.4Å; K197-G200 PolarHBondContact O-N 3.14Å; V198-G200 VanDerWaalsContact C-N 3.32Å |
| 201 | S | 96.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 3% | 0.028 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -167.1 | 164 | 174.2 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | S67 A196 E203 S204 | S67-S201 VanDerWaalsContact O-CA 3.28Å; S67-S201 WeakPolarHBondContact O-CA 3.23Å; S67-S201 WeakPolarHBondContact O-CB 3.17Å; A196-S201 PolarHBondContact O-N 2.7Å; S201-E203 VanDerWaalsContact C-N 3.33Å; S201-S204 WeakPolarHBondContact O-CB 2.91Å; S201-S204 PolarHBondContact O-N 3.43Å; S201-S204 PolarHBondContact OG-N 2.94Å; S201-S204 PolarHBondContact OG-OG 2.91Å |
| 202 | Y | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -61.2 | -40.8 | 170.8 | -80.2 | -85.6 | 0 | 0 | 0 | 112 | F61 S67 L68 W85 L112 P169 F177 E192 K193 A196 S204 L205 | F61-Y202 HydrophobicContact CE1-CD2 4.48Å; F61-Y202 HydrophobicContact CE1-CE2 4.13Å; F61-Y202 HydrophobicContact CZ-CD2 4.33Å; F61-Y202 HydrophobicContact CZ-CE2 4.42Å; S67-Y202 PolarHBondContact O-N 2.78Å; L68-Y202 HydrophobicContact CD2-CD2 4.18Å; L68-Y202 WeakPolarHBondContact O-CB 3.5Å; L68-Y202 PolarHBondContact O-N 3.21Å; W85-Y202 AromaticContact CH2-CE2 3.95Å; W85-Y202 HydrophobicContact CH2-CE2 3.95Å; W85-Y202 HydrophobicContact CZ3-CE2 4.47Å; L112-Y202 HydrophobicContact CD2-CD1 4.1Å; P169-Y202 HydrophobicContact CG-CE2 4Å; F177-Y202 HydrophobicContact CB-CE1 4.45Å; F177-Y202 AromaticContact CD2-CD1 3.37Å; F177-Y202 HydrophobicContact CD2-CD1 3.37Å; F177-Y202 HydrophobicContact CD2-CD2 4.27Å; F177-Y202 AromaticContact CD2-CE1 3.3Å; F177-Y202 HydrophobicContact CD2-CE1 3.3Å; F177-Y202 HydrophobicContact CD2-CE2 4.21Å; F177-Y202 AromaticContact CD2-CG 3.86Å; F177-Y202 HydrophobicContact CD2-CG 3.86Å; F177-Y202 AromaticContact CD2-CZ 3.73Å; F177-Y202 AromaticContact CE2-CD1 3.39Å; F177-Y202 HydrophobicContact CE2-CD1 3.39Å; F177-Y202 AromaticContact CE2-CD2 3.66Å; F177-Y202 HydrophobicContact CE2-CD2 3.66Å; F177-Y202 AromaticContact CE2-CE1 3.71Å; F177-Y202 HydrophobicContact CE2-CE1 3.71Å; F177-Y202 AromaticContact CE2-CE2 3.95Å; F177-Y202 HydrophobicContact CE2-CE2 3.95Å; F177-Y202 AromaticContact CE2-CG 3.34Å; F177-Y202 HydrophobicContact CE2-CG 3.34Å; F177-Y202 AromaticContact CE2-CZ 3.95Å; F177-Y202 HydrophobicContact CG-CD1 4.05Å; F177-Y202 HydrophobicContact CG-CE1 4.11Å; F177-Y202 HydrophobicContact CZ-CD1 4.1Å; F177-Y202 HydrophobicContact CZ-CD2 4.47Å; F177-Y202 AromaticContact CZ-CG 3.91Å; F177-Y202 HydrophobicContact CZ-CG 3.91Å; E192-Y202 HydrophobicContact CG-CE1 4.22Å; E192-Y202 WeakPolarHBondContact OE2-CE1 3.32Å; K193-Y202 WeakPolarHBondContact CA-OH 3.4Å; K193-Y202 WeakPolarHBondContact CB-OH 3.33Å; K193-Y202 HydrophobicContact CG-CE2 4.47Å; K193-Y202 WeakPolarHBondContact CG-OH 3.29Å; A196-Y202 HydrophobicContact CB-CD1 3.81Å; A196-Y202 HydrophobicContact CB-CD2 4.08Å; A196-Y202 HydrophobicContact CB-CE1 4.06Å; A196-Y202 HydrophobicContact CB-CE2 4.33Å; A196-Y202 HydrophobicContact CB-CG 3.84Å; Y202-S204 PolarHBondContact O-N 3.02Å; Y202-L205 VanDerWaalsContact O-CB 3.27Å; Y202-L205 WeakPolarHBondContact O-CB 3.43Å; Y202-L205 WeakPolarHBondContact O-CG 3.04Å; Y202-L205 PolarHBondContact O-N 3.08Å |
| 203 | E | 96.5 | Very high | 95.3 | Very high | 16 Ų | 16 | 12.4 Ų | 12.4 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -60.4 | -29.6 | 178.4 | -165.4 | 175.5 | 165.2 | 0 | 0 | 113 | L68 G69 F70 K71 D72 L73 S201 L205 S206 | L68-E203 WeakPolarHBondContact O-CB 3.44Å; L68-E203 PolarHBondContact O-N 2.89Å; G69-E203 VanDerWaalsContact CA-OE2 3.25Å; G69-E203 WeakPolarHBondContact CA-OE2 3.46Å; F70-E203 HydrophobicContact CE1-CB 4.18Å; F70-E203 HydrophobicContact CE1-CG 4.35Å; F70-E203 HydrophobicContact CZ-CG 4.29Å; F70-E203 PolarHBondContact N-OE2 3.29Å; K71-E203 WeakPolarHBondContact CB-OE1 3.47Å; K71-E203 PolarHBondContact N-OE1 3.39Å; K71-E203 PolarHBondContact N-OE2 3.5Å; D72-E203 VanDerWaalsContact N-CD 3.33Å; D72-E203 PolarHBondContact N-OE1 3.14Å; D72-E203 PolarHBondContact N-OE2 3.17Å; L73-E203 HydrophobicContact CB-CB 4.15Å; L73-E203 HydrophobicContact CB-CG 4.39Å; L73-E203 HydrophobicContact CD1-CB 4.29Å; L73-E203 HydrophobicContact CG-CB 4.48Å; L73-E203 PolarHBondContact N-OE2 2.87Å; S201-E203 VanDerWaalsContact C-N 3.33Å; E203-L205 PolarHBondContact O-N 3.13Å; E203-L205 VanDerWaalsContact O-N 3.11Å; E203-S206 WeakPolarHBondContact O-CB 3.37Å; E203-S206 PolarHBondContact O-N 2.94Å; E203-S206 VanDerWaalsContact O-N 3.07Å |
| 204 | S | 95 | Very high | 95.2 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 3% | 0.028 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -61.3 | -18.6 | 174.9 | -57.1 | 0 | 0 | 0 | 0 | 113.3 | N199 S201 Y202 R429 | N199-S204 VanDerWaalsContact O-CB 3.26Å; N199-S204 WeakPolarHBondContact O-CB 3.36Å; N199-S204 PolarHBondContact O-OG 3.07Å; S201-S204 WeakPolarHBondContact O-CB 2.91Å; S201-S204 PolarHBondContact O-N 3.43Å; S201-S204 PolarHBondContact OG-N 2.94Å; S201-S204 PolarHBondContact OG-OG 2.91Å; Y202-S204 PolarHBondContact O-N 3.02Å; S204-R429 PolarHBondContact O-NH1 3.41Å |
| 205 | L | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -86 | -15.4 | 178.8 | -50.2 | -171.5 | 0 | 0 | 0 | 112.8 | L112 D114 W116 L117 E192 Y195 A196 N199 Y202 E203 G207 | L112-L205 HydrophobicContact CD2-CB 4.23Å; L112-L205 HydrophobicContact CD2-CD1 4.48Å; D114-L205 HydrophobicContact CB-CB 4Å; W116-L205 PolarHBondContact NE1-O 3.12Å; L117-L205 HydrophobicContact CD2-CD1 3.88Å; E192-L205 HydrophobicContact CG-CD1 4.3Å; Y195-L205 HydrophobicContact CD1-CD1 4.07Å; Y195-L205 HydrophobicContact CD1-CD2 3.41Å; Y195-L205 VanDerWaalsContact CD1-CD2 3.41Å; Y195-L205 HydrophobicContact CD1-CG 4.36Å; Y195-L205 HydrophobicContact CE1-CD2 3.69Å; A196-L205 HydrophobicContact CB-CD1 3.8Å; A196-L205 HydrophobicContact CB-CG 4.32Å; N199-L205 HydrophobicContact CB-CD2 3.75Å; Y202-L205 VanDerWaalsContact O-CB 3.27Å; Y202-L205 WeakPolarHBondContact O-CB 3.43Å; Y202-L205 WeakPolarHBondContact O-CG 3.04Å; Y202-L205 PolarHBondContact O-N 3.08Å; E203-L205 PolarHBondContact O-N 3.13Å; E203-L205 VanDerWaalsContact O-N 3.11Å; L205-G207 PolarHBondContact O-N 2.87Å |
| 206 | S | 93.1 | Very high | 95 | Very high | 49 Ų | 49 | 12.5 Ų | 12.5 | 34% | 0.343 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -65.5 | 125.4 | -179.9 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | G113 E203 R432 | G113-S206 WeakPolarHBondContact O-CA 3.42Å; E203-S206 WeakPolarHBondContact O-CB 3.37Å; E203-S206 PolarHBondContact O-N 2.94Å; E203-S206 VanDerWaalsContact O-N 3.07Å; S206-R432 PolarHBondContact O-NH1 2.78Å |
| 207 | G | 89.3 | Confident | 94.9 | Very high | 37 Ų | 37 | 12.5 Ų | 12.5 | 38% | 0.381 | 10% | 0.1 | S | C | . | . | S | Bend | trans | 72.3 | 121.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G113 L205 R429 | G113-G207 PolarHBondContact O-N 3.02Å; L205-G207 PolarHBondContact O-N 2.87Å; G207-R429 PolarHBondContact O-NH1 3.14Å; G207-R429 PolarHBondContact O-NH2 3.21Å |
| 208 | G | 90.2 | Very high | 94.7 | Very high | 41 Ų | 41 | 12.3 Ų | 12.3 | 42% | 0.423 | 10% | 0.099 | S | C | . | . | trans | -177.3 | 178.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W116 E212 | W116-G208 WeakPolarHBondContact CB-O 3.45Å; W116-G208 VanDerWaalsContact CD1-N 3.28Å; W116-G208 VanDerWaalsContact CG-C 3.49Å; G208-E212 WeakPolarHBondContact CA-OE1 3.28Å | ||
| 209 | S | 91.3 | Very high | 94.5 | Very high | 25 Ų | 25 | 12.2 Ų | 12.2 | 18% | 0.175 | 10% | 0.1 | C | C | . | . | trans | -106.6 | 143 | 171.3 | 165.7 | 0 | 0 | 0 | 0 | 110.3 | S211 E212 E349 | S209-S211 PolarHBondContact O-N 3Å; S209-S211 VanDerWaalsContact O-N 3.15Å; S209-S211 WeakPolarHBondContact OG-CB 3.19Å; S209-S211 PolarHBondContact OG-N 3.2Å; S209-E212 PolarHBondContact N-OE1 3.31Å; S209-E212 VanDerWaalsContact N-OE1 3.1Å; S209-E212 VanDerWaalsContact O-CB 3.31Å; S209-E212 WeakPolarHBondContact O-CB 3.44Å; S209-E212 PolarHBondContact O-N 2.68Å; S209-E349 PolarHBondContact OG-OE1 3.19Å; S209-E349 PolarHBondContact OG-OE2 2.97Å | ||
| 210 | T | 94.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.7 | -32.4 | 179.8 | -45.1 | 0 | 0 | 0 | 0 | 111.6 | W116 A119 A120 E212 G213 F214 A273 E349 | W116-T210 WeakPolarHBondContact O-CG2 3.28Å; A119-T210 HydrophobicContact CB-CG2 4Å; A120-T210 HydrophobicContact CB-CG2 3.99Å; T210-E212 PolarHBondContact O-N 2.99Å; T210-G213 PolarHBondContact O-N 3.26Å; T210-F214 HydrophobicContact CG2-CD1 4.37Å; T210-F214 HydrophobicContact CG2-CD2 4.26Å; T210-F214 HydrophobicContact CG2-CE1 3.75Å; T210-F214 HydrophobicContact CG2-CE2 3.62Å; T210-F214 HydrophobicContact CG2-CZ 3.32Å; T210-F214 WeakPolarHBondContact O-CG 3.42Å; T210-F214 PolarHBondContact O-N 3.12Å; T210-A273 VanDerWaalsContact OG1-CB 3.27Å; T210-A273 WeakPolarHBondContact OG1-CB 3.5Å; T210-E349 WeakPolarHBondContact CB-OE2 3.39Å; T210-E349 PolarHBondContact N-OE2 2.71Å |
| 211 | S | 93.2 | Very high | 94.1 | Very high | 12 Ų | 12 | 10.1 Ų | 10.1 | 8% | 0.084 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -52.4 | -37.7 | 173.3 | -67.8 | 0 | 0 | 0 | 0 | 113.2 | S209 G213 F214 E215 E349 | S209-S211 PolarHBondContact O-N 3Å; S209-S211 VanDerWaalsContact O-N 3.15Å; S209-S211 WeakPolarHBondContact OG-CB 3.19Å; S209-S211 PolarHBondContact OG-N 3.2Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 3.44Å; S211-F214 PolarHBondContact O-N 3.15Å; S211-E215 WeakPolarHBondContact O-CB 3.42Å; S211-E215 VanDerWaalsContact O-CG 3.27Å; S211-E215 WeakPolarHBondContact O-CG 3.41Å; S211-E215 PolarHBondContact O-N 3.44Å; S211-E349 WeakPolarHBondContact CB-OE2 3.43Å; S211-E349 PolarHBondContact N-OE2 3.25Å; S211-E349 VanDerWaalsContact OG-CD 3.28Å; S211-E349 PolarHBondContact OG-OE2 2.89Å |
| 212 | E | 95.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 10.2 Ų | 10.2 | 6% | 0.056 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.2 | -61.6 | -178.6 | -123.8 | 0 | 0 | 111.7 | W116 G208 S209 T210 D216 R429 R481 | W116-E212 HydrophobicContact CE3-CB 4.14Å; W116-E212 HydrophobicContact CH2-CB 4.21Å; W116-E212 HydrophobicContact CZ3-CB 3.57Å; G208-E212 WeakPolarHBondContact CA-OE1 3.28Å; S209-E212 PolarHBondContact N-OE1 3.31Å; S209-E212 VanDerWaalsContact N-OE1 3.1Å; S209-E212 VanDerWaalsContact O-CB 3.31Å; S209-E212 WeakPolarHBondContact O-CB 3.44Å; S209-E212 PolarHBondContact O-N 2.68Å; T210-E212 PolarHBondContact O-N 2.99Å; E212-D216 WeakPolarHBondContact O-CB 3.33Å; E212-D216 VanDerWaalsContact O-CG 3.23Å; E212-D216 PolarHBondContact O-N 3.27Å; E212-D216 VanDerWaalsContact O-N 3.09Å; E212-R429 IonicContact OE1-CZ 3.43Å; E212-R429 IonicContact OE1-NH2 3.25Å; E212-R429 PolarHBondContact OE1-NH2 2.81Å; E212-R429 IonicContact OE2-CZ 2.97Å; E212-R429 VanDerWaalsContact OE2-CZ 3.26Å; E212-R429 IonicContact OE2-NE 3.32Å; E212-R429 PolarHBondContact OE2-NE 3.45Å; E212-R429 IonicContact OE2-NH2 2.74Å; E212-R429 PolarHBondContact OE2-NH2 3.46Å; E212-R481 HydrophobicContact CG-CB 3.91Å; E212-R481 PolarHBondContact O-NH2 2.84Å; E212-R481 WeakPolarHBondContact OE2-CD 3.43Å; E212-R481 IonicContact OE2-NE 3.22Å |
| 213 | G | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.8 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T210 S211 E215 D216 F217 | T210-G213 PolarHBondContact O-N 3.26Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 3.44Å; G213-E215 VanDerWaalsContact C-N 3.34Å; G213-E215 PolarHBondContact O-N 2.79Å; G213-D216 PolarHBondContact O-N 2.78Å; G213-F217 WeakPolarHBondContact O-CB 3.37Å; G213-F217 WeakPolarHBondContact O-CD2 3.48Å; G213-F217 WeakPolarHBondContact O-CG 3.38Å; G213-F217 PolarHBondContact O-N 2.81Å |
| 214 | F | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 177 | -64.3 | -31.9 | 0 | 0 | 0 | 112.5 | A120 T210 S211 F217 T218 T222 L247 E349 C351 | A120-F214 HydrophobicContact CB-CD1 3.7Å; A120-F214 HydrophobicContact CB-CE1 3.9Å; T210-F214 HydrophobicContact CG2-CD1 4.37Å; T210-F214 HydrophobicContact CG2-CD2 4.26Å; T210-F214 HydrophobicContact CG2-CE1 3.75Å; T210-F214 HydrophobicContact CG2-CE2 3.62Å; T210-F214 HydrophobicContact CG2-CZ 3.32Å; T210-F214 WeakPolarHBondContact O-CG 3.42Å; T210-F214 PolarHBondContact O-N 3.12Å; S211-F214 PolarHBondContact O-N 3.15Å; F214-F217 PolarHBondContact O-N 3.32Å; F214-T218 WeakPolarHBondContact O-CB 3.13Å; F214-T218 WeakPolarHBondContact O-CG2 3.33Å; F214-T218 PolarHBondContact O-N 3.11Å; F214-T218 VanDerWaalsContact O-N 3.08Å; F214-T218 PolarHBondContact O-OG1 2.96Å; F214-T222 HydrophobicContact CB-CG2 4.24Å; F214-T222 HydrophobicContact CD2-CG2 4.49Å; F214-L247 HydrophobicContact CB-CD1 4.37Å; F214-L247 HydrophobicContact CD1-CB 3.43Å; F214-L247 VanDerWaalsContact CD1-CB 3.43Å; F214-L247 HydrophobicContact CD1-CD1 3.61Å; F214-L247 HydrophobicContact CD1-CG 4.18Å; F214-L247 HydrophobicContact CD2-CB 4.37Å; F214-L247 HydrophobicContact CE1-CB 3.52Å; F214-L247 HydrophobicContact CE1-CD1 4.26Å; F214-L247 HydrophobicContact CE2-CB 4.45Å; F214-L247 HydrophobicContact CG-CB 3.89Å; F214-L247 HydrophobicContact CG-CD1 4.3Å; F214-L247 HydrophobicContact CZ-CB 4.06Å; F214-E349 HydrophobicContact CE2-CB 4.47Å; F214-C351 HydrophobicContact CB-CB 3.46Å; F214-C351 VanDerWaalsContact CB-CB 3.46Å; F214-C351 HydrophobicContact CD2-CB 3.82Å; F214-C351 HydrophobicContact CG-CB 3.84Å |
| 215 | E | 95.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.6 | -75.1 | 159.9 | -178.1 | 0 | 0 | 111.5 | S211 G213 F217 T218 G219 T222 M424 R481 R512 | S211-E215 WeakPolarHBondContact O-CB 3.42Å; S211-E215 VanDerWaalsContact O-CG 3.27Å; S211-E215 WeakPolarHBondContact O-CG 3.41Å; S211-E215 PolarHBondContact O-N 3.44Å; G213-E215 VanDerWaalsContact C-N 3.34Å; G213-E215 PolarHBondContact O-N 2.79Å; E215-F217 PolarHBondContact O-N 3.16Å; E215-T218 PolarHBondContact O-N 2.85Å; E215-G219 WeakPolarHBondContact O-CA 3.43Å; E215-G219 PolarHBondContact O-N 2.99Å; E215-T222 HydrophobicContact CG-CG2 3.79Å; E215-T222 PolarHBondContact OE1-OG1 3.06Å; E215-M424 HydrophobicContact CB-CE 4.28Å; E215-M424 HydrophobicContact CG-CE 4.19Å; E215-M424 WeakPolarHBondContact OE2-CE 3.28Å; E215-R481 VanDerWaalsContact CB-NH2 3.32Å; E215-R481 IonicContact OE2-CZ 3.04Å; E215-R481 IonicContact OE2-NE 3.06Å; E215-R481 IonicContact OE2-NH2 2.84Å; E215-R481 PolarHBondContact OE2-NH2 3.36Å; E215-R512 IonicContact OE1-NH2 2.8Å |
| 216 | D | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72 | -20.4 | -177.3 | -69.2 | 3.7 | 0 | 0 | 0 | 113.2 | W154 Q155 Y195 E212 G213 R481 | W154-D216 WeakPolarHBondContact CB-O 3.39Å; W154-D216 PolarHBondContact N-O 3.06Å; W154-D216 VanDerWaalsContact O-CA 3.29Å; W154-D216 WeakPolarHBondContact O-CA 3.42Å; W154-D216 WeakPolarHBondContact O-CB 3.25Å; Q155-D216 VanDerWaalsContact NE2-CG 3.33Å; Q155-D216 PolarHBondContact NE2-OD2 3.12Å; Q155-D216 VanDerWaalsContact NE2-OD2 3.12Å; Y195-D216 HydrophobicContact CE2-CB 3.79Å; Y195-D216 WeakPolarHBondContact CE2-OD2 3.33Å; Y195-D216 PolarHBondContact OH-OD2 2.75Å; E212-D216 WeakPolarHBondContact O-CB 3.33Å; E212-D216 VanDerWaalsContact O-CG 3.23Å; E212-D216 PolarHBondContact O-N 3.27Å; E212-D216 VanDerWaalsContact O-N 3.09Å; G213-D216 PolarHBondContact O-N 2.78Å; D216-R481 IonicContact OD1-CZ 3.36Å; D216-R481 VanDerWaalsContact OD1-CZ 3.25Å; D216-R481 IonicContact OD1-NH1 3.8Å; D216-R481 PolarHBondContact OD1-NH1 2.75Å; D216-R481 IonicContact OD1-NH2 3.67Å; D216-R481 PolarHBondContact OD1-NH2 2.83Å; D216-R481 IonicContact OD2-CZ 2.99Å; D216-R481 IonicContact OD2-NH1 3.99Å; D216-R481 PolarHBondContact OD2-NH1 2.94Å |
| 217 | F | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -93.3 | -14.1 | 175.8 | -61.8 | -32.2 | 0 | 0 | 0 | 113.8 | L117 A120 I121 L124 V134 L153 L191 Y195 G213 F214 E215 | L117-F217 HydrophobicContact CD1-CE1 4.49Å; L117-F217 HydrophobicContact CD1-CE2 3.97Å; L117-F217 HydrophobicContact CD1-CZ 3.51Å; L117-F217 HydrophobicContact CG-CZ 4.49Å; A120-F217 HydrophobicContact CB-CD2 4.08Å; A120-F217 HydrophobicContact CB-CE2 3.83Å; I121-F217 HydrophobicContact CB-CE2 4.4Å; I121-F217 HydrophobicContact CD1-CZ 4.2Å; I121-F217 HydrophobicContact CG1-CE2 3.46Å; I121-F217 VanDerWaalsContact CG1-CE2 3.46Å; I121-F217 HydrophobicContact CG1-CZ 3.51Å; L124-F217 HydrophobicContact CD1-CB 4.21Å; L124-F217 HydrophobicContact CD2-CB 4.04Å; L124-F217 HydrophobicContact CD2-CD2 4.28Å; L124-F217 HydrophobicContact CD2-CG 4.08Å; V134-F217 HydrophobicContact CG1-CD1 3.95Å; V134-F217 HydrophobicContact CG1-CE1 4.4Å; V134-F217 HydrophobicContact CG2-CB 3.92Å; V134-F217 HydrophobicContact CG2-CD1 4.22Å; V134-F217 HydrophobicContact CG2-CG 4.42Å; V134-F217 WeakPolarHBondContact CG2-O 3.29Å; L153-F217 HydrophobicContact CD2-CD1 3.93Å; L153-F217 HydrophobicContact CD2-CE1 3.79Å; L191-F217 HydrophobicContact CD1-CE1 4.36Å; Y195-F217 HydrophobicContact CD2-CE1 4.11Å; Y195-F217 HydrophobicContact CD2-CZ 4.48Å; Y195-F217 HydrophobicContact CE2-CE1 4.4Å; G213-F217 WeakPolarHBondContact O-CB 3.37Å; G213-F217 WeakPolarHBondContact O-CD2 3.48Å; G213-F217 WeakPolarHBondContact O-CG 3.38Å; G213-F217 PolarHBondContact O-N 2.81Å; F214-F217 PolarHBondContact O-N 3.32Å; E215-F217 PolarHBondContact O-N 3.16Å |
| 218 | T | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -130 | -24.4 | -171.5 | 66.7 | 0 | 0 | 0 | 0 | 114.8 | L130 F214 E215 G220 L247 C351 L353 | L130-T218 HydrophobicContact CD1-CG2 4.1Å; F214-T218 WeakPolarHBondContact O-CB 3.13Å; F214-T218 WeakPolarHBondContact O-CG2 3.33Å; F214-T218 PolarHBondContact O-N 3.11Å; F214-T218 VanDerWaalsContact O-N 3.08Å; F214-T218 PolarHBondContact O-OG1 2.96Å; E215-T218 PolarHBondContact O-N 2.85Å; T218-G220 PolarHBondContact O-N 3.14Å; T218-G220 PolarHBondContact OG1-N 3.05Å; T218-L247 HydrophobicContact CG2-CD1 3.5Å; T218-L247 VanDerWaalsContact CG2-CD1 3.5Å; T218-L247 HydrophobicContact CG2-CG 4.19Å; T218-C351 PolarHBondContact OG1-SG 2.71Å; T218-L353 HydrophobicContact CG2-CD2 3.85Å |
| 219 | G | 92.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 5% | 0.052 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 69.1 | 5.5 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W154 E215 T354 R512 | W154-G219 VanDerWaalsContact CD1-CA 3.45Å; W154-G219 VanDerWaalsContact CG-CA 3.46Å; E215-G219 WeakPolarHBondContact O-CA 3.43Å; E215-G219 PolarHBondContact O-N 2.99Å; G219-T354 WeakPolarHBondContact O-CG2 3.31Å; G219-R512 PolarHBondContact O-NH1 3.07Å |
| 220 | G | 91.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -70.3 | -179.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | T218 N352 R512 | T218-G220 PolarHBondContact O-N 3.14Å; T218-G220 PolarHBondContact OG1-N 3.05Å; G220-N352 CarbonylContact C-O 3.56Å; G220-N352 WeakPolarHBondContact CA-O 3.49Å; G220-R512 PolarHBondContact O-NH1 3.03Å; G220-R512 PolarHBondContact O-NH2 2.79Å | ||
| 221 | V | 90.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135 | 176.6 | 61.6 | 0 | 0 | 0 | 0 | 110.1 | C351 N352 V420 A422 F514 | V221-C351 CarbonylContact O-C 3.57Å; V221-C351 WeakPolarHBondContact O-CA 3.27Å; V221-N352 HydrophobicContact CG1-CB 4.1Å; V221-N352 PolarHBondContact N-O 2.86Å; V221-N352 PolarHBondContact O-N 2.94Å; V221-V420 HydrophobicContact CG2-CG1 3.84Å; V221-A422 HydrophobicContact CG2-CB 3.85Å; V221-F514 HydrophobicContact CB-CD1 4.28Å; V221-F514 HydrophobicContact CB-CD2 3.81Å; V221-F514 HydrophobicContact CB-CE1 3.96Å; V221-F514 HydrophobicContact CB-CE2 3.47Å; V221-F514 VanDerWaalsContact CB-CE2 3.47Å; V221-F514 HydrophobicContact CB-CG 4.23Å; V221-F514 HydrophobicContact CB-CZ 3.57Å; V221-F514 HydrophobicContact CG1-CD1 3.83Å; V221-F514 HydrophobicContact CG1-CD2 3.91Å; V221-F514 HydrophobicContact CG1-CE1 3.92Å; V221-F514 HydrophobicContact CG1-CE2 4.02Å; V221-F514 HydrophobicContact CG1-CG 3.83Å; V221-F514 HydrophobicContact CG1-CZ 4.05Å; V221-F514 HydrophobicContact CG2-CD2 3.87Å; V221-F514 HydrophobicContact CG2-CE2 3.7Å; V221-F514 HydrophobicContact CG2-CZ 4.31Å |
| 222 | T | 91.5 | Very high | 92 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.3 | -178.7 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | F214 E215 I350 C351 S484 | F214-T222 HydrophobicContact CB-CG2 4.24Å; F214-T222 HydrophobicContact CD2-CG2 4.49Å; E215-T222 HydrophobicContact CG-CG2 3.79Å; E215-T222 PolarHBondContact OE1-OG1 3.06Å; T222-I350 CarbonylContact C-O 3.57Å; T222-I350 WeakPolarHBondContact CA-O 3.42Å; T222-C351 HydrophobicContact CG2-CB 3.83Å; T222-S484 VanDerWaalsContact O-CB 3.26Å; T222-S484 WeakPolarHBondContact O-CB 3.05Å; T222-S484 PolarHBondContact O-OG 3.31Å |
| 223 | E | 87.2 | Confident | 91.4 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143.6 | 168.2 | -69.6 | 176.4 | -103.5 | 0 | 0 | 107.9 | E349 I350 N352 V420 R486 | E223-E349 CarbonylContact O-C 3.54Å; E223-E349 WeakPolarHBondContact O-CA 3.44Å; E223-I350 PolarHBondContact N-O 3.36Å; E223-I350 PolarHBondContact O-N 3.17Å; E223-N352 PolarHBondContact OE1-ND2 3.29Å; E223-V420 HydrophobicContact CG-CG1 4.44Å; E223-R486 IonicContact OE1-CZ 3.48Å; E223-R486 IonicContact OE1-NE 2.98Å; E223-R486 IonicContact OE1-NH2 2.96Å; E223-R486 PolarHBondContact OE1-NH2 3.16Å; E223-R486 IonicContact OE2-CZ 2.64Å; E223-R486 IonicContact OE2-NE 3.78Å; E223-R486 PolarHBondContact OE2-NE 2.85Å; E223-R486 IonicContact OE2-NH2 3.61Å; E223-R486 PolarHBondContact OE2-NH2 2.97Å |
| 224 | W | 88.2 | Confident | 91.2 | Very high | 100 Ų | 100 | 40.7 Ų | 40.7 | 38% | 0.379 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.4 | 178.1 | 66.9 | -83.4 | 0 | 0 | 0 | 111.3 | E226 L348 E349 | W224-E226 HydrophobicContact CZ3-CB 4.06Å; W224-L348 CarbonylContact C-O 3.59Å; W224-L348 WeakPolarHBondContact CA-O 3.43Å; W224-E349 HydrophobicContact CB-CG 4.27Å |
| 225 | Y | 89.9 | Confident | 91.1 | Very high | 46 Ų | 46 | 41 Ų | 41 | 18% | 0.18 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.4 | 178.8 | -64.1 | -88.9 | 0 | 0 | 0 | 109.4 | L227 P231 L234 I237 R347 L348 I350 | Y225-L227 PolarHBondContact O-N 3.45Å; Y225-P231 HydrophobicContact CD1-CG 4.4Å; Y225-P231 HydrophobicContact CE1-CG 4.27Å; Y225-L234 HydrophobicContact CD1-CD1 4.13Å; Y225-L234 HydrophobicContact CD2-CD1 4.15Å; Y225-L234 HydrophobicContact CE1-CD1 4.46Å; Y225-L234 HydrophobicContact CE2-CD1 4.48Å; Y225-L234 HydrophobicContact CG-CD1 3.97Å; Y225-I237 HydrophobicContact CE1-CD1 4.46Å; Y225-R347 WeakPolarHBondContact O-CA 3.26Å; Y225-L348 HydrophobicContact CD2-CD2 4.26Å; Y225-L348 PolarHBondContact N-O 2.77Å; Y225-L348 PolarHBondContact O-N 3.18Å; Y225-I350 HydrophobicContact CD2-CD1 4.25Å; Y225-I350 HydrophobicContact CD2-CG1 4.44Å; Y225-I350 HydrophobicContact CE2-CD1 3.79Å; Y225-I350 HydrophobicContact CE2-CG1 4.24Å |
| 226 | E | 91.8 | Very high | 90.6 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 110.8 | 165.8 | -167.7 | -174.3 | 166.8 | 0 | 0 | 108.5 | W224 R228 K229 A230 | W224-E226 HydrophobicContact CZ3-CB 4.06Å; E226-R228 PolarHBondContact O-N 2.93Å; E226-R228 VanDerWaalsContact O-N 3.11Å; E226-K229 CarbonylContact O-C 3.41Å; E226-K229 PolarHBondContact O-N 2.74Å; E226-K229 IonicContact OE1-NZ 3.1Å; E226-K229 WeakPolarHBondContact OE2-CD 3.4Å; E226-K229 WeakPolarHBondContact OE2-CE 3.42Å; E226-K229 IonicContact OE2-NZ 2.81Å; E226-K229 PolarHBondContact OE2-NZ 2.93Å; E226-A230 PolarHBondContact O-N 3.39Å |
| 227 | L | 94.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -62.8 | -26.6 | -171.2 | -64.8 | -178.2 | 0 | 0 | 0 | 113.1 | Y225 K229 A230 L234 F341 M342 F345 T346 L348 | Y225-L227 PolarHBondContact O-N 3.45Å; L227-K229 PolarHBondContact O-N 3.44Å; L227-A230 PolarHBondContact O-N 2.91Å; L227-L234 HydrophobicContact CD2-CD2 3.57Å; L227-F341 HydrophobicContact CD1-CD1 4.24Å; L227-F341 HydrophobicContact CD1-CE1 3.62Å; L227-F341 HydrophobicContact CD1-CE2 4Å; L227-F341 HydrophobicContact CD1-CZ 3.48Å; L227-F341 VanDerWaalsContact CD1-CZ 3.48Å; L227-F341 HydrophobicContact CD2-CE1 3.78Å; L227-F341 HydrophobicContact CD2-CZ 4.13Å; L227-F341 HydrophobicContact CG-CE1 4.38Å; L227-F341 HydrophobicContact CG-CZ 4.46Å; L227-M342 HydrophobicContact CB-SD 4.26Å; L227-M342 HydrophobicContact CD2-SD 3.98Å; L227-M342 WeakPolarHBondContact O-CE 3.44Å; L227-F345 HydrophobicContact CD1-CB 3.47Å; L227-F345 VanDerWaalsContact CD1-CB 3.47Å; L227-T346 PolarHBondContact N-O 3.11Å; L227-L348 HydrophobicContact CD2-CB 3.87Å |
| 228 | R | 92.5 | Very high | 89.9 | Confident | 195 Ų | 195 | 46.3 Ų | 46.3 | 74% | 0.736 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -69.2 | -20.2 | 175.1 | -63.6 | -177.1 | -176.4 | -178 | 3.9 | 113.8 | E226 | E226-R228 PolarHBondContact O-N 2.93Å; E226-R228 VanDerWaalsContact O-N 3.11Å |
| 229 | K | 91.1 | Very high | 89.6 | Confident | 158 Ų | 158 | 47.7 Ų | 47.7 | 69% | 0.687 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -124.4 | 20.8 | -179.9 | -57.7 | -176.2 | -168.1 | 131.2 | 0 | 111.8 | E226 L227 | E226-K229 CarbonylContact O-C 3.41Å; E226-K229 PolarHBondContact O-N 2.74Å; E226-K229 IonicContact OE1-NZ 3.1Å; E226-K229 WeakPolarHBondContact OE2-CD 3.4Å; E226-K229 WeakPolarHBondContact OE2-CE 3.42Å; E226-K229 IonicContact OE2-NZ 2.81Å; E226-K229 PolarHBondContact OE2-NZ 2.93Å; L227-K229 PolarHBondContact O-N 3.44Å |
| 230 | A | 88.4 | Confident | 89.1 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | trans | -64.5 | 150.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E226 L227 L234 M342 | E226-A230 PolarHBondContact O-N 3.39Å; L227-A230 PolarHBondContact O-N 2.91Å; A230-L234 HydrophobicContact CB-CB 4.24Å; A230-L234 HydrophobicContact CB-CD2 3.53Å; A230-L234 HydrophobicContact CB-CG 4.38Å; A230-M342 HydrophobicContact CB-CE 3.76Å; A230-M342 HydrophobicContact CB-SD 4.41Å | ||
| 231 | P | 85.2 | Confident | 88.8 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | trans | -66.7 | 152.8 | 173 | 33 | -38.3 | 0 | 0 | 0 | 110.8 | Y225 D233 L234 I237 | Y225-P231 HydrophobicContact CD1-CG 4.4Å; Y225-P231 HydrophobicContact CE1-CG 4.27Å; P231-D233 WeakPolarHBondContact CB-OD1 3.48Å; P231-D233 PolarHBondContact O-N 2.9Å; P231-L234 HydrophobicContact CG-CB 4.34Å; P231-L234 VanDerWaalsContact O-CB 3.31Å; P231-L234 WeakPolarHBondContact O-CB 3.45Å; P231-L234 PolarHBondContact O-N 3.1Å; P231-L234 VanDerWaalsContact O-N 3.08Å; P231-I237 HydrophobicContact CG-CD1 4.05Å | ||
| 232 | S | 87.5 | Confident | 88.5 | Confident | 136 Ų | 136 | 53.8 Ų | 53.8 | 95% | 0.951 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.5 | -176.5 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 233 | D | 84 | Confident | 88 | Confident | 45 Ų | 45 | 61 Ų | 61 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 8.5 | 178 | 66.3 | -24.9 | 0 | 0 | 0 | 113.6 | P231 Y235 Q236 I237 R413 | P231-D233 WeakPolarHBondContact CB-OD1 3.48Å; P231-D233 PolarHBondContact O-N 2.9Å; D233-Y235 PolarHBondContact O-N 2.85Å; D233-Y235 VanDerWaalsContact O-N 3.08Å; D233-Q236 WeakPolarHBondContact O-CA 3.36Å; D233-Q236 WeakPolarHBondContact O-CB 3.46Å; D233-Q236 PolarHBondContact O-N 2.96Å; D233-I237 PolarHBondContact O-N 3.46Å; D233-I237 VanDerWaalsContact O-N 3.11Å; D233-R413 IonicContact OD2-NH2 2.8Å; D233-R413 PolarHBondContact OD2-NH2 3.41Å |
| 234 | L | 90.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -51.1 | -39.6 | -175.9 | -179.4 | 64.7 | 0 | 0 | 0 | 113.8 | Y225 L227 A230 P231 Q236 I237 I238 F338 M342 L348 | Y225-L234 HydrophobicContact CD1-CD1 4.13Å; Y225-L234 HydrophobicContact CD2-CD1 4.15Å; Y225-L234 HydrophobicContact CE1-CD1 4.46Å; Y225-L234 HydrophobicContact CE2-CD1 4.48Å; Y225-L234 HydrophobicContact CG-CD1 3.97Å; L227-L234 HydrophobicContact CD2-CD2 3.57Å; A230-L234 HydrophobicContact CB-CB 4.24Å; A230-L234 HydrophobicContact CB-CD2 3.53Å; A230-L234 HydrophobicContact CB-CG 4.38Å; P231-L234 HydrophobicContact CG-CB 4.34Å; P231-L234 VanDerWaalsContact O-CB 3.31Å; P231-L234 WeakPolarHBondContact O-CB 3.45Å; P231-L234 PolarHBondContact O-N 3.1Å; P231-L234 VanDerWaalsContact O-N 3.08Å; L234-Q236 VanDerWaalsContact C-N 3.29Å; L234-Q236 PolarHBondContact O-N 3.43Å; L234-I237 WeakPolarHBondContact O-CB 3.44Å; L234-I237 PolarHBondContact O-N 3.12Å; L234-I237 VanDerWaalsContact O-N 3.14Å; L234-I238 HydrophobicContact CG-CD1 4.13Å; L234-I238 WeakPolarHBondContact O-CG1 3.47Å; L234-I238 PolarHBondContact O-N 3.25Å; L234-F338 HydrophobicContact CB-CZ 4.25Å; L234-F338 HydrophobicContact CD2-CZ 4.07Å; L234-F338 HydrophobicContact CG-CZ 4.16Å; L234-M342 HydrophobicContact CD2-SD 3.85Å; L234-L348 HydrophobicContact CD1-CD2 3.9Å; L234-L348 HydrophobicContact CD2-CD2 4.42Å; L234-L348 HydrophobicContact CG-CD2 4.48Å |
| 235 | Y | 93.8 | Very high | 87.3 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62 | -37.3 | 178.5 | -172.7 | -104.1 | 0 | 0 | 0 | 112.7 | D233 I238 L239 A279 K280 Q281 N290 L291 F338 | D233-Y235 PolarHBondContact O-N 2.85Å; D233-Y235 VanDerWaalsContact O-N 3.08Å; Y235-I238 PolarHBondContact O-N 3.31Å; Y235-L239 HydrophobicContact CD1-CD1 3.87Å; Y235-L239 HydrophobicContact CD1-CG 4.43Å; Y235-L239 HydrophobicContact CE1-CD1 3.55Å; Y235-L239 HydrophobicContact CE1-CG 4.1Å; Y235-L239 PolarHBondContact O-N 2.96Å; Y235-A279 HydrophobicContact CE2-CB 4.18Å; Y235-K280 PolarHBondContact OH-N 3.14Å; Y235-K280 PolarHBondContact OH-O 3.06Å; Y235-K280 VanDerWaalsContact OH-O 3.07Å; Y235-Q281 HydrophobicContact CE1-CG 3.76Å; Y235-N290 HydrophobicContact CD1-CB 4.19Å; Y235-N290 HydrophobicContact CD2-CB 4Å; Y235-N290 HydrophobicContact CE1-CB 3.81Å; Y235-N290 VanDerWaalsContact CE1-CG 3.44Å; Y235-N290 HydrophobicContact CE2-CB 3.62Å; Y235-N290 HydrophobicContact CG-CB 4.26Å; Y235-L291 PolarHBondContact OH-O 2.77Å; Y235-F338 HydrophobicContact CD2-CB 3.99Å; Y235-F338 AromaticContact CD2-CD1 3.97Å; Y235-F338 HydrophobicContact CD2-CD1 3.97Å; Y235-F338 AromaticContact CD2-CD2 3.56Å; Y235-F338 HydrophobicContact CD2-CD2 3.56Å; Y235-F338 HydrophobicContact CD2-CE1 4.35Å; Y235-F338 AromaticContact CD2-CE2 3.97Å; Y235-F338 HydrophobicContact CD2-CE2 3.97Å; Y235-F338 AromaticContact CD2-CG 3.55Å; Y235-F338 HydrophobicContact CD2-CG 3.55Å; Y235-F338 HydrophobicContact CD2-CZ 4.35Å; Y235-F338 HydrophobicContact CE2-CB 4.18Å; Y235-F338 HydrophobicContact CE2-CD2 4.25Å; Y235-F338 HydrophobicContact CE2-CG 4.21Å; Y235-F338 HydrophobicContact CG-CD1 4.32Å; Y235-F338 HydrophobicContact CG-CE1 4.49Å; Y235-F338 HydrophobicContact CG-CG 4.34Å |
| 236 | Q | 85.5 | Confident | 87.2 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.4 | -34.5 | 175.5 | -63.8 | -60.1 | -29.2 | 0 | 0 | 111.5 | D233 L234 I238 L239 K240 | D233-Q236 WeakPolarHBondContact O-CA 3.36Å; D233-Q236 WeakPolarHBondContact O-CB 3.46Å; D233-Q236 PolarHBondContact O-N 2.96Å; L234-Q236 VanDerWaalsContact C-N 3.29Å; L234-Q236 PolarHBondContact O-N 3.43Å; Q236-I238 VanDerWaalsContact C-N 3.33Å; Q236-L239 PolarHBondContact O-N 3.32Å; Q236-K240 WeakPolarHBondContact O-CB 3.42Å; Q236-K240 VanDerWaalsContact O-CG 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.31Å; Q236-K240 PolarHBondContact O-N 3.46Å |
| 237 | I | 86 | Confident | 87.3 | Confident | 43 Ų | 43 | 57.6 Ų | 57.6 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 171.9 | -60.8 | 175.3 | 0 | 0 | 0 | 109.9 | Y225 P231 D233 L234 K240 A241 I350 | Y225-I237 HydrophobicContact CE1-CD1 4.46Å; P231-I237 HydrophobicContact CG-CD1 4.05Å; D233-I237 PolarHBondContact O-N 3.46Å; D233-I237 VanDerWaalsContact O-N 3.11Å; L234-I237 WeakPolarHBondContact O-CB 3.44Å; L234-I237 PolarHBondContact O-N 3.12Å; L234-I237 VanDerWaalsContact O-N 3.14Å; I237-K240 PolarHBondContact O-N 3.47Å; I237-A241 VanDerWaalsContact O-CB 3.28Å; I237-A241 WeakPolarHBondContact O-CB 3.32Å; I237-A241 PolarHBondContact O-N 3.4Å; I237-I350 HydrophobicContact CG2-CD1 4.01Å |
| 238 | I | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 178.3 | -69.4 | 166.7 | 0 | 0 | 0 | 111.5 | L234 Y235 Q236 K240 A241 L242 L248 A279 I292 F338 L348 | L234-I238 HydrophobicContact CG-CD1 4.13Å; L234-I238 WeakPolarHBondContact O-CG1 3.47Å; L234-I238 PolarHBondContact O-N 3.25Å; Y235-I238 PolarHBondContact O-N 3.31Å; Q236-I238 VanDerWaalsContact C-N 3.33Å; I238-K240 PolarHBondContact O-N 3Å; I238-A241 PolarHBondContact O-N 3.04Å; I238-L242 HydrophobicContact CG2-CD1 3.89Å; I238-L242 WeakPolarHBondContact O-CG 3.41Å; I238-L242 PolarHBondContact O-N 3.4Å; I238-L248 HydrophobicContact CB-CD2 4.4Å; I238-L248 HydrophobicContact CG1-CD2 4.35Å; I238-L248 HydrophobicContact CG2-CD2 3.87Å; I238-A279 HydrophobicContact CG2-CB 3.94Å; I238-I292 HydrophobicContact CD1-CD1 4.22Å; I238-F338 HydrophobicContact CD1-CE2 3.68Å; I238-F338 HydrophobicContact CD1-CZ 4.38Å; I238-L348 HydrophobicContact CD1-CD2 3.8Å; I238-L348 HydrophobicContact CG1-CD2 3.75Å |
| 239 | L | 88.1 | Confident | 87.5 | Confident | 28 Ų | 28 | 48.3 Ų | 48.3 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.4 | -51 | 177.6 | -77.4 | 170.7 | 0 | 0 | 0 | 111.3 | Y235 Q236 A241 L242 E243 A279 | Y235-L239 HydrophobicContact CD1-CD1 3.87Å; Y235-L239 HydrophobicContact CD1-CG 4.43Å; Y235-L239 HydrophobicContact CE1-CD1 3.55Å; Y235-L239 HydrophobicContact CE1-CG 4.1Å; Y235-L239 PolarHBondContact O-N 2.96Å; Q236-L239 PolarHBondContact O-N 3.32Å; L239-A241 VanDerWaalsContact C-N 3.3Å; L239-A241 PolarHBondContact O-N 2.84Å; L239-L242 PolarHBondContact O-N 3.02Å; L239-E243 WeakPolarHBondContact O-CB 3.42Å; L239-E243 WeakPolarHBondContact O-CG 3.33Å; L239-E243 PolarHBondContact O-N 3.26Å; L239-A279 HydrophobicContact CD2-CB 3.75Å; L239-A279 WeakPolarHBondContact CD2-O 3.4Å; L239-A279 HydrophobicContact CG-CB 4.32Å |
| 240 | K | 81.3 | Confident | 87.7 | Confident | 89 Ų | 89 | 40.8 Ų | 40.8 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.5 | -37.3 | 178.6 | -70.2 | 177.9 | -178.2 | 179.9 | 0 | 112.1 | Q236 I237 I238 R244 | Q236-K240 WeakPolarHBondContact O-CB 3.42Å; Q236-K240 VanDerWaalsContact O-CG 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.31Å; Q236-K240 PolarHBondContact O-N 3.46Å; I237-K240 PolarHBondContact O-N 3.47Å; I238-K240 PolarHBondContact O-N 3Å; K240-R244 WeakPolarHBondContact O-CB 3.5Å; K240-R244 VanDerWaalsContact O-CD 3.26Å; K240-R244 WeakPolarHBondContact O-CD 3.44Å; K240-R244 WeakPolarHBondContact O-CG 3.32Å; K240-R244 PolarHBondContact O-N 2.78Å; K240-R244 VanDerWaalsContact O-N 3.07Å |
| 241 | A | 84.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I237 I238 L239 R244 G245 S246 L248 I350 | I237-A241 VanDerWaalsContact O-CB 3.28Å; I237-A241 WeakPolarHBondContact O-CB 3.32Å; I237-A241 PolarHBondContact O-N 3.4Å; I238-A241 PolarHBondContact O-N 3.04Å; L239-A241 VanDerWaalsContact C-N 3.3Å; L239-A241 PolarHBondContact O-N 2.84Å; A241-R244 PolarHBondContact O-N 2.66Å; A241-G245 PolarHBondContact O-N 3.01Å; A241-S246 WeakPolarHBondContact O-CB 3.4Å; A241-S246 PolarHBondContact O-N 2.84Å; A241-S246 PolarHBondContact O-OG 3.11Å; A241-L248 HydrophobicContact CB-CD1 3.94Å; A241-L248 HydrophobicContact CB-CD2 4.34Å; A241-L248 HydrophobicContact CB-CG 4.5Å; A241-I350 HydrophobicContact CB-CD1 4.33Å; A241-I350 HydrophobicContact CB-CG2 3.82Å |
| 242 | L | 85.7 | Confident | 88.6 | Confident | 41 Ų | 41 | 38.7 Ų | 38.7 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 176.5 | -71.7 | 166.5 | 0 | 0 | 0 | 111.9 | I238 L239 R244 G245 L248 A279 | I238-L242 HydrophobicContact CG2-CD1 3.89Å; I238-L242 WeakPolarHBondContact O-CG 3.41Å; I238-L242 PolarHBondContact O-N 3.4Å; L239-L242 PolarHBondContact O-N 3.02Å; L242-R244 PolarHBondContact O-N 2.74Å; L242-G245 PolarHBondContact O-N 3.31Å; L242-L248 HydrophobicContact CD2-CD1 3.91Å; L242-L248 HydrophobicContact CD2-CD2 4.34Å; L242-L248 HydrophobicContact CG-CD1 4.14Å; L242-L248 HydrophobicContact CG-CD2 4.13Å; L242-A279 HydrophobicContact CD1-CB 3.79Å |
| 243 | E | 80.9 | Confident | 88.8 | Confident | 157 Ų | 157 | 35.1 Ų | 35.1 | 73% | 0.734 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -60.9 | -30.7 | 176.2 | -74.4 | 173.5 | -177.5 | 0 | 0 | 112.8 | L239 G245 | L239-E243 WeakPolarHBondContact O-CB 3.42Å; L239-E243 WeakPolarHBondContact O-CG 3.33Å; L239-E243 PolarHBondContact O-N 3.26Å; E243-G245 VanDerWaalsContact C-N 3.26Å; E243-G245 PolarHBondContact O-N 2.86Å |
| 244 | R | 76.8 | Confident | 89.1 | Confident | 122 Ų | 122 | 35.5 Ų | 35.5 | 46% | 0.46 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -1.2 | 176.2 | -69.8 | 167.7 | -175.4 | -170.7 | -1.9 | 113.3 | K240 A241 L242 S246 | K240-R244 WeakPolarHBondContact O-CB 3.5Å; K240-R244 VanDerWaalsContact O-CD 3.26Å; K240-R244 WeakPolarHBondContact O-CD 3.44Å; K240-R244 WeakPolarHBondContact O-CG 3.32Å; K240-R244 PolarHBondContact O-N 2.78Å; K240-R244 VanDerWaalsContact O-N 3.07Å; A241-R244 PolarHBondContact O-N 2.66Å; L242-R244 PolarHBondContact O-N 2.74Å; R244-S246 VanDerWaalsContact C-N 3.27Å; R244-S246 PolarHBondContact O-N 2.68Å |
| 245 | G | 82.6 | Confident | 88.9 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 19% | 0.186 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 18.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | N127 A241 L242 E243 L353 | N127-G245 PolarHBondContact ND2-O 3.33Å; A241-G245 PolarHBondContact O-N 3.01Å; L242-G245 PolarHBondContact O-N 3.31Å; E243-G245 VanDerWaalsContact C-N 3.26Å; E243-G245 PolarHBondContact O-N 2.86Å; G245-L353 WeakPolarHBondContact O-CD1 3.47Å |
| 246 | S | 88.1 | Confident | 88.6 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | trans | -61.7 | 149.7 | 173.2 | -48.4 | 0 | 0 | 0 | 0 | 109.5 | A241 R244 L248 C351 | A241-S246 WeakPolarHBondContact O-CB 3.4Å; A241-S246 PolarHBondContact O-N 2.84Å; A241-S246 PolarHBondContact O-OG 3.11Å; R244-S246 VanDerWaalsContact C-N 3.27Å; R244-S246 PolarHBondContact O-N 2.68Å; S246-L248 WeakPolarHBondContact O-CD1 3.34Å; S246-C351 WeakPolarHBondContact CA-O 3.39Å; S246-C351 VanDerWaalsContact CB-O 3.27Å; S246-C351 WeakPolarHBondContact CB-O 3.38Å | ||
| 247 | L | 93 | Very high | 88.5 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130.3 | 175.9 | -50.4 | -173.9 | 0 | 0 | 0 | 109.1 | S123 L124 L130 F214 T218 C351 | S123-L247 WeakPolarHBondContact O-CD2 3.35Å; L124-L247 HydrophobicContact CB-CD1 4.49Å; L124-L247 HydrophobicContact CD1-CD1 4.28Å; L130-L247 HydrophobicContact CD1-CD2 4.31Å; F214-L247 HydrophobicContact CB-CD1 4.37Å; F214-L247 HydrophobicContact CD1-CB 3.43Å; F214-L247 VanDerWaalsContact CD1-CB 3.43Å; F214-L247 HydrophobicContact CD1-CD1 3.61Å; F214-L247 HydrophobicContact CD1-CG 4.18Å; F214-L247 HydrophobicContact CD2-CB 4.37Å; F214-L247 HydrophobicContact CE1-CB 3.52Å; F214-L247 HydrophobicContact CE1-CD1 4.26Å; F214-L247 HydrophobicContact CE2-CB 4.45Å; F214-L247 HydrophobicContact CG-CB 3.89Å; F214-L247 HydrophobicContact CG-CD1 4.3Å; F214-L247 HydrophobicContact CZ-CB 4.06Å; T218-L247 HydrophobicContact CG2-CD1 3.5Å; T218-L247 VanDerWaalsContact CG2-CD1 3.5Å; T218-L247 HydrophobicContact CG2-CG 4.19Å; L247-C351 HydrophobicContact CB-CB 4.18Å; L247-C351 PolarHBondContact N-O 3.43Å; L247-C351 PolarHBondContact O-N 3.17Å |
| 248 | L | 95.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.6 | -177.9 | -70.8 | 74.6 | 0 | 0 | 0 | 110.4 | S123 I238 A241 L242 S246 V276 E349 I350 | S123-L248 PolarHBondContact OG-O 3.46Å; I238-L248 HydrophobicContact CB-CD2 4.4Å; I238-L248 HydrophobicContact CG1-CD2 4.35Å; I238-L248 HydrophobicContact CG2-CD2 3.87Å; A241-L248 HydrophobicContact CB-CD1 3.94Å; A241-L248 HydrophobicContact CB-CD2 4.34Å; A241-L248 HydrophobicContact CB-CG 4.5Å; L242-L248 HydrophobicContact CD2-CD1 3.91Å; L242-L248 HydrophobicContact CD2-CD2 4.34Å; L242-L248 HydrophobicContact CG-CD1 4.14Å; L242-L248 HydrophobicContact CG-CD2 4.13Å; S246-L248 WeakPolarHBondContact O-CD1 3.34Å; L248-V276 HydrophobicContact CB-CB 3.68Å; L248-V276 HydrophobicContact CB-CG1 4.3Å; L248-V276 HydrophobicContact CB-CG2 4.35Å; L248-V276 HydrophobicContact CD2-CB 4.4Å; L248-V276 HydrophobicContact CD2-CG1 4.15Å; L248-V276 PolarHBondContact O-N 3.49Å; L248-E349 WeakPolarHBondContact CA-O 3.42Å; L248-I350 HydrophobicContact CD1-CG2 4.38Å; L248-I350 HydrophobicContact CD2-CD1 4.45Å; L248-I350 HydrophobicContact CD2-CG1 4.42Å; L248-I350 HydrophobicContact CG-CG1 4.15Å; L248-I350 HydrophobicContact CG-CG2 4.27Å |
| 249 | G | 96.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 157.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y274 L348 E349 | G249-Y274 CarbonylContact C-O 3.54Å; G249-Y274 WeakPolarHBondContact CA-O 3.47Å; G249-L348 CarbonylContact O-C 3.53Å; G249-L348 WeakPolarHBondContact O-CD1 3.43Å; G249-E349 PolarHBondContact N-O 2.75Å; G249-E349 PolarHBondContact O-N 3.28Å |
| 250 | C | 97.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 161.6 | 177 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | Y274 V276 F341 F345 R347 L348 | C250-Y274 PolarHBondContact N-O 2.93Å; C250-Y274 PolarHBondContact O-N 3.18Å; C250-V276 HydrophobicContact CB-CG2 4.17Å; C250-F341 HydrophobicContact CB-CE2 3.88Å; C250-F341 HydrophobicContact CB-CZ 4.19Å; C250-F345 HydrophobicContact CB-CD1 4Å; C250-F345 HydrophobicContact CB-CE1 4.44Å; C250-R347 VanDerWaalsContact CA-O 3.22Å; C250-R347 WeakPolarHBondContact CA-O 3.44Å; C250-R347 VanDerWaalsContact CB-O 3.31Å; C250-R347 WeakPolarHBondContact CB-O 3.5Å; C250-L348 HydrophobicContact CB-CD1 4.35Å |
| 251 | S | 96.7 | Very high | 88.3 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 161.5 | -179 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | H272 T346 R347 | S251-H272 WeakPolarHBondContact CB-O 3.46Å; S251-T346 PolarHBondContact O-N 3.07Å; S251-R347 PolarHBondContact N-O 2.99Å; S251-R347 PolarHBondContact O-N 3.16Å; S251-R347 VanDerWaalsContact O-N 3.13Å |
| 252 | I | 95.9 | Very high | 88.6 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.072 | 31% | 0.311 | C | S | . | . | trans | -110.8 | 120.9 | 175 | -49.9 | 178.6 | 0 | 0 | 0 | 107.6 | L268 K270 G271 F345 | I252-L268 HydrophobicContact CD1-CB 3.69Å; I252-L268 HydrophobicContact CD1-CD1 4.06Å; I252-L268 HydrophobicContact CD1-CG 4.46Å; I252-K270 HydrophobicContact CG2-CG 4.06Å; I252-G271 PolarHBondContact O-N 2.86Å; I252-F345 HydrophobicContact CD1-CD1 4.43Å; I252-F345 HydrophobicContact CD1-CE1 4.27Å; I252-F345 HydrophobicContact CD1-CE2 4.5Å; I252-F345 HydrophobicContact CD1-CZ 4.3Å; I252-F345 HydrophobicContact CG1-CD1 3.7Å; I252-F345 HydrophobicContact CG1-CE1 3.9Å; I252-F345 HydrophobicContact CG1-CG 4.07Å; I252-F345 HydrophobicContact CG1-CZ 4.4Å | ||
| 253 | D | 91.5 | Very high | 89 | Confident | 60 Ų | 60 | 59.5 Ų | 59.5 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | trans | -66.9 | 144.7 | 179.3 | -78.1 | 7.6 | 0 | 0 | 0 | 110.9 | T346 R347 | D253-T346 HydrophobicContact CB-CG2 3.88Å; D253-T346 PolarHBondContact N-OG1 2.95Å; D253-T346 WeakPolarHBondContact OD2-CG2 3.41Å; D253-R347 IonicContact OD1-CZ 2.66Å; D253-R347 IonicContact OD1-NE 3.56Å; D253-R347 PolarHBondContact OD1-NE 2.85Å; D253-R347 IonicContact OD1-NH2 3.35Å; D253-R347 PolarHBondContact OD1-NH2 3Å; D253-R347 IonicContact OD2-CZ 3.14Å; D253-R347 IonicContact OD2-NE 3.32Å; D253-R347 PolarHBondContact OD2-NE 2.83Å; D253-R347 VanDerWaalsContact OD2-NE 3.13Å; D253-R347 IonicContact OD2-NH2 2.94Å; D253-R347 PolarHBondContact OD2-NH2 3.16Å | ||
| 254 | I | 90.4 | Very high | 89.6 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 28% | 0.277 | 30% | 0.3 | S | S | . | . | trans | -92.5 | 144.1 | 172.6 | 57.3 | 179.2 | 0 | 0 | 0 | 110.4 | S256 D259 M260 K270 | I254-S256 WeakPolarHBondContact CD1-O 3.46Å; I254-D259 HydrophobicContact CB-CB 3.97Å; I254-D259 HydrophobicContact CG2-CB 3.92Å; I254-D259 WeakPolarHBondContact CG2-O 3.38Å; I254-M260 HydrophobicContact CD1-CB 4.34Å; I254-M260 HydrophobicContact CD1-CE 4.22Å; I254-K270 HydrophobicContact CG2-CB 3.86Å | ||
| 255 | S | 86.6 | Confident | 90.4 | Very high | 107 Ų | 107 | 56.3 Ų | 56.3 | 75% | 0.748 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -84.5 | -21.3 | 172.9 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | D259 | S255-D259 PolarHBondContact OG-OD2 3.16Š|
| 256 | S | 87.7 | Confident | 91 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 33% | 0.329 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -151.5 | 161 | 174.4 | 93.7 | 0 | 0 | 0 | 0 | 110.5 | I254 L258 D259 | I254-S256 WeakPolarHBondContact CD1-O 3.46Å; S256-L258 PolarHBondContact O-N 3.15Å; S256-L258 VanDerWaalsContact O-N 3.15Å; S256-L258 WeakPolarHBondContact OG-CB 3.32Å; S256-L258 PolarHBondContact OG-N 2.82Å; S256-L258 VanDerWaalsContact OG-N 3.15Å; S256-D259 WeakPolarHBondContact O-CB 3.32Å; S256-D259 PolarHBondContact O-N 3.26Å |
| 257 | V | 83 | Confident | 91.4 | Very high | 121 Ų | 121 | 61.3 Ų | 61.3 | 73% | 0.733 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -60.1 | -24.8 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | D259 M260 | V257-D259 PolarHBondContact O-N 3.15Å; V257-M260 VanDerWaalsContact O-CB 3.28Å; V257-M260 WeakPolarHBondContact O-CB 3.42Å; V257-M260 PolarHBondContact O-N 3.01Å |
| 258 | L | 82.4 | Confident | 91.5 | Very high | 163 Ų | 163 | 61.2 Ų | 61.2 | 85% | 0.853 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -69.1 | -19.4 | 176.1 | -59.8 | 169.2 | 0 | 0 | 0 | 113 | S256 M260 | S256-L258 PolarHBondContact O-N 3.15Å; S256-L258 VanDerWaalsContact O-N 3.15Å; S256-L258 WeakPolarHBondContact OG-CB 3.32Å; S256-L258 PolarHBondContact OG-N 2.82Å; S256-L258 VanDerWaalsContact OG-N 3.15Å; L258-M260 VanDerWaalsContact C-N 3.3Å |
| 259 | D | 87.1 | Confident | 91.5 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 21% | 0.214 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -87.5 | 1.6 | 177.6 | -81.1 | 30.3 | 0 | 0 | 0 | 112.1 | I254 S255 S256 V257 E261 A262 K270 | I254-D259 HydrophobicContact CB-CB 3.97Å; I254-D259 HydrophobicContact CG2-CB 3.92Å; I254-D259 WeakPolarHBondContact CG2-O 3.38Å; S255-D259 PolarHBondContact OG-OD2 3.16Å; S256-D259 WeakPolarHBondContact O-CB 3.32Å; S256-D259 PolarHBondContact O-N 3.26Å; V257-D259 PolarHBondContact O-N 3.15Å; D259-E261 PolarHBondContact O-N 3.01Å; D259-A262 VanDerWaalsContact O-CB 3.23Å; D259-A262 WeakPolarHBondContact O-CB 3.47Å; D259-A262 PolarHBondContact O-N 3.44Å; D259-A262 VanDerWaalsContact O-N 3.09Å; D259-K270 HydrophobicContact CB-CD 4.44Å; D259-K270 IonicContact OD2-NZ 3.92Å; D259-K270 PolarHBondContact OD2-NZ 3.09Å |
| 260 | M | 86.5 | Confident | 91.4 | Very high | 113 Ų | 113 | 64 Ų | 64 | 56% | 0.557 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 126.5 | 178.1 | -175.9 | 169 | -77.5 | 0 | 0 | 110.7 | I254 V257 L258 A262 | I254-M260 HydrophobicContact CD1-CB 4.34Å; I254-M260 HydrophobicContact CD1-CE 4.22Å; V257-M260 VanDerWaalsContact O-CB 3.28Å; V257-M260 WeakPolarHBondContact O-CB 3.42Å; V257-M260 PolarHBondContact O-N 3.01Å; L258-M260 VanDerWaalsContact C-N 3.3Å; M260-A262 PolarHBondContact O-N 2.86Å |
| 261 | E | 86.7 | Confident | 91.2 | Very high | 69 Ų | 69 | 65.4 Ų | 65.4 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 20.7 | -174 | -61.5 | -176 | 171.3 | 0 | 0 | 114.4 | D259 I263 V269 K270 W298 | D259-E261 PolarHBondContact O-N 3.01Å; E261-I263 PolarHBondContact O-N 3.39Å; E261-V269 HydrophobicContact CB-CG1 4.22Å; E261-K270 WeakPolarHBondContact CA-O 3.43Å; E261-K270 PolarHBondContact N-O 2.91Å; E261-W298 HydrophobicContact CB-CH2 4.47Å; E261-W298 HydrophobicContact CB-CZ2 4.21Å; E261-W298 HydrophobicContact CG-CZ2 4.29Å |
| 262 | A | 90.8 | Very high | 91 | Very high | 35 Ų | 35 | 64.6 Ų | 64.6 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 128.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D259 M260 K270 | D259-A262 VanDerWaalsContact O-CB 3.23Å; D259-A262 WeakPolarHBondContact O-CB 3.47Å; D259-A262 PolarHBondContact O-N 3.44Å; D259-A262 VanDerWaalsContact O-N 3.09Å; M260-A262 PolarHBondContact O-N 2.86Å; A262-K270 PolarHBondContact O-N 3.24Å |
| 263 | I | 94 | Very high | 91 | Very high | 96 Ų | 96 | 64.2 Ų | 64.2 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -83.4 | 123.5 | 178 | -51.5 | 179.1 | 0 | 0 | 0 | 109.9 | E261 K267 V269 W298 V301 | E261-I263 PolarHBondContact O-N 3.39Å; I263-K267 HydrophobicContact CG2-CB 4.46Å; I263-V269 HydrophobicContact CG1-CG2 4.33Å; I263-W298 HydrophobicContact CD1-CZ3 4.22Å; I263-W298 HydrophobicContact CG1-CZ3 4.45Å; I263-V301 HydrophobicContact CD1-CG1 4.36Å; I263-V301 HydrophobicContact CG2-CG1 4.32Å |
| 264 | T | 93.7 | Very high | 91.2 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 167.2 | 175.4 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | K266 K267 L268 K270 | T264-K266 PolarHBondContact O-N 3.13Å; T264-K266 VanDerWaalsContact O-N 3.11Å; T264-K267 WeakPolarHBondContact O-CA 3.23Å; T264-K267 PolarHBondContact O-N 3.24Å; T264-L268 WeakPolarHBondContact CB-O 3.36Å; T264-L268 HydrophobicContact CG2-CB 4.49Å; T264-L268 WeakPolarHBondContact CG2-O 3.49Å; T264-L268 PolarHBondContact N-O 2.89Å; T264-L268 WeakPolarHBondContact OG1-CB 3.38Å; T264-L268 PolarHBondContact OG1-N 3.48Å; T264-L268 PolarHBondContact OG1-O 2.99Å; T264-K270 HydrophobicContact CG2-CD 4.5Å; T264-K270 HydrophobicContact CG2-CG 4.03Å |
| 265 | F | 94 | Very high | 91.5 | Very high | 178 Ų | 178 | 58.8 Ų | 58.8 | 78% | 0.781 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -19.2 | 176.1 | 77.3 | -85.7 | 0 | 0 | 0 | 114.2 | ||
| 266 | K | 94.9 | Very high | 92 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 15.8 | 173.7 | -57.5 | -171.1 | -177.1 | 169.7 | 0 | 113.1 | T264 L268 W303 T304 R343 E344 | T264-K266 PolarHBondContact O-N 3.13Å; T264-K266 VanDerWaalsContact O-N 3.11Å; K266-L268 PolarHBondContact O-N 3.35Å; K266-W303 HydrophobicContact CB-CE3 3.74Å; K266-W303 HydrophobicContact CB-CH2 4.34Å; K266-W303 HydrophobicContact CB-CZ3 3.49Å; K266-W303 VanDerWaalsContact CB-CZ3 3.49Å; K266-W303 HydrophobicContact CD-CE3 4.2Å; K266-W303 HydrophobicContact CD-CH2 3.26Å; K266-W303 HydrophobicContact CD-CZ2 4.25Å; K266-W303 HydrophobicContact CD-CZ3 3.22Å; K266-W303 HydrophobicContact CG-CH2 4.43Å; K266-W303 HydrophobicContact CG-CZ3 4.01Å; K266-T304 WeakPolarHBondContact CA-OG1 3.49Å; K266-T304 PolarHBondContact O-N 2.82Å; K266-R343 VanDerWaalsContact NZ-NH2 3.19Å; K266-E344 IonicContact NZ-OE1 3.92Å; K266-E344 PolarHBondContact NZ-OE1 2.88Å |
| 267 | K | 95.2 | Very high | 92.3 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 60.5 | 20.5 | -178.1 | -63.7 | -165.7 | -176.8 | -178 | 0 | 116.2 | I263 T264 V301 E302 T304 | I263-K267 HydrophobicContact CG2-CB 4.46Å; T264-K267 WeakPolarHBondContact O-CA 3.23Å; T264-K267 PolarHBondContact O-N 3.24Å; K267-V301 HydrophobicContact CB-CG1 4.13Å; K267-V301 WeakPolarHBondContact O-CG1 3.37Å; K267-E302 WeakPolarHBondContact CB-O 3.43Å; K267-E302 WeakPolarHBondContact CD-O 3.43Å; K267-T304 HydrophobicContact CB-CG2 4.15Å; K267-T304 HydrophobicContact CD-CG2 3.57Å; K267-T304 HydrophobicContact CG-CG2 3.73Å |
| 268 | L | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -80.7 | 143.4 | 164.9 | -58.7 | 176.5 | 0 | 0 | 0 | 110.2 | I252 T264 K266 W303 F334 M336 E344 F345 | I252-L268 HydrophobicContact CD1-CB 3.69Å; I252-L268 HydrophobicContact CD1-CD1 4.06Å; I252-L268 HydrophobicContact CD1-CG 4.46Å; T264-L268 WeakPolarHBondContact CB-O 3.36Å; T264-L268 HydrophobicContact CG2-CB 4.49Å; T264-L268 WeakPolarHBondContact CG2-O 3.49Å; T264-L268 PolarHBondContact N-O 2.89Å; T264-L268 WeakPolarHBondContact OG1-CB 3.38Å; T264-L268 PolarHBondContact OG1-N 3.48Å; T264-L268 PolarHBondContact OG1-O 2.99Å; K266-L268 PolarHBondContact O-N 3.35Å; L268-W303 HydrophobicContact CD1-CE3 3.79Å; L268-W303 HydrophobicContact CD1-CZ3 3.62Å; L268-W303 HydrophobicContact CD2-CB 4.34Å; L268-W303 HydrophobicContact CD2-CE3 3.86Å; L268-W303 HydrophobicContact CG-CE3 3.71Å; L268-W303 HydrophobicContact CG-CZ3 4.01Å; L268-F334 HydrophobicContact CD2-CE2 4.05Å; L268-F334 HydrophobicContact CD2-CZ 3.7Å; L268-M336 HydrophobicContact CD1-CE 4.49Å; L268-E344 HydrophobicContact CD1-CB 3.62Å; L268-E344 HydrophobicContact CD1-CG 4.09Å; L268-F345 HydrophobicContact CD1-CE2 3.9Å; L268-F345 HydrophobicContact CD1-CZ 4.48Å; L268-F345 HydrophobicContact CD2-CE2 4.16Å; L268-F345 HydrophobicContact CD2-CZ 4.16Å |
| 269 | V | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 129 | -179 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | E261 I263 H272 Y274 W298 V301 | E261-V269 HydrophobicContact CB-CG1 4.22Å; I263-V269 HydrophobicContact CG1-CG2 4.33Å; V269-H272 HydrophobicContact CB-CB 3.92Å; V269-H272 HydrophobicContact CG1-CB 3.58Å; V269-Y274 HydrophobicContact CB-CE2 4.35Å; V269-Y274 WeakPolarHBondContact CB-OH 3.48Å; V269-Y274 WeakPolarHBondContact CG2-OH 3.21Å; V269-Y274 PolarHBondContact N-OH 3.15Å; V269-W298 HydrophobicContact CG1-CH2 3.75Å; V269-W298 HydrophobicContact CG1-CZ2 4.05Å; V269-W298 HydrophobicContact CG1-CZ3 4.38Å; V269-W298 HydrophobicContact CG2-CE3 4.19Å; V269-W298 HydrophobicContact CG2-CH2 3.9Å; V269-W298 HydrophobicContact CG2-CZ3 3.66Å; V269-V301 HydrophobicContact CG2-CG1 4.37Å |
| 270 | K | 94.2 | Very high | 93.7 | Very high | 59 Ų | 59 | 42.2 Ų | 42.2 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 153.1 | 177.6 | -62.2 | 179.8 | 177 | 176.4 | 0 | 112.3 | I252 I254 D259 E261 A262 T264 H272 | I252-K270 HydrophobicContact CG2-CG 4.06Å; I254-K270 HydrophobicContact CG2-CB 3.86Å; D259-K270 HydrophobicContact CB-CD 4.44Å; D259-K270 IonicContact OD2-NZ 3.92Å; D259-K270 PolarHBondContact OD2-NZ 3.09Å; E261-K270 WeakPolarHBondContact CA-O 3.43Å; E261-K270 PolarHBondContact N-O 2.91Å; A262-K270 PolarHBondContact O-N 3.24Å; T264-K270 HydrophobicContact CG2-CD 4.5Å; T264-K270 HydrophobicContact CG2-CG 4.03Å; K270-H272 PolarHBondContact O-N 3.4Å |
| 271 | G | 92.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 26.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I252 | I252-G271 PolarHBondContact O-N 2.86Š|
| 272 | H | 93.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | trans | -131 | 144 | -170.4 | -174.9 | 66.8 | 0 | 0 | 0 | 109.7 | Q109 C115 S251 V269 K270 Y274 N296 P297 W298 | Q109-H272 PolarHBondContact OE1-CE1 2.97Å; C115-H272 WeakPolarHBondContact CB-CE1 3.45Å; C115-H272 WeakPolarHBondContact CB-ND1 3.28Å; C115-H272 PolarHBondContact SG-ND1 3.25Å; C115-H272 VanDerWaalsContact SG-ND1 3.36Å; S251-H272 WeakPolarHBondContact CB-O 3.46Å; V269-H272 HydrophobicContact CB-CB 3.92Å; V269-H272 HydrophobicContact CG1-CB 3.58Å; K270-H272 PolarHBondContact O-N 3.4Å; H272-Y274 HydrophobicContact CB-CE2 4.44Å; H272-Y274 AromaticContact CD2-CE2 3.64Å; H272-Y274 AromaticContact CD2-CZ 3.98Å; H272-N296 PolarHBondContact NE2-OD1 3.25Å; H272-P297 WeakPolarHBondContact NE2-CD 3.25Å; H272-W298 AromaticContact CE1-CD1 3.54Å; H272-W298 AromaticContact CE1-CE2 3.76Å; H272-W298 AromaticContact CE1-NE1 3.18Å; H272-W298 PolarHBondContact CE1-NE1 2.93Å; H272-W298 AromaticContact ND1-NE1 3.93Å; H272-W298 AromaticContact NE2-CD1 3.87Å; H272-W298 AromaticContact NE2-NE1 3.81Å | ||
| 273 | A | 95.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | W116 A119 T210 P297 | W116-A273 HydrophobicContact CB-CB 4.26Å; A119-A273 HydrophobicContact CB-CB 3.77Å; T210-A273 VanDerWaalsContact OG1-CB 3.27Å; T210-A273 WeakPolarHBondContact OG1-CB 3.5Å; A273-P297 WeakPolarHBondContact O-CD 3.08Å; A273-P297 VanDerWaalsContact O-CG 3.23Å; A273-P297 WeakPolarHBondContact O-CG 3.29Å |
| 274 | Y | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 149.4 | 171.5 | -73.6 | -100.9 | 0 | 0 | 0 | 109.7 | G249 C250 V269 H272 R295 N296 F334 F345 | G249-Y274 CarbonylContact C-O 3.54Å; G249-Y274 WeakPolarHBondContact CA-O 3.47Å; C250-Y274 PolarHBondContact N-O 2.93Å; C250-Y274 PolarHBondContact O-N 3.18Å; V269-Y274 HydrophobicContact CB-CE2 4.35Å; V269-Y274 WeakPolarHBondContact CB-OH 3.48Å; V269-Y274 WeakPolarHBondContact CG2-OH 3.21Å; V269-Y274 PolarHBondContact N-OH 3.15Å; H272-Y274 HydrophobicContact CB-CE2 4.44Å; H272-Y274 AromaticContact CD2-CE2 3.64Å; H272-Y274 AromaticContact CD2-CZ 3.98Å; Y274-R295 WeakPolarHBondContact CA-O 3.46Å; Y274-N296 HydrophobicContact CD1-CB 4.09Å; Y274-N296 HydrophobicContact CE1-CB 3.6Å; Y274-F334 HydrophobicContact CD1-CE1 4.39Å; Y274-F334 HydrophobicContact CD1-CZ 4.35Å; Y274-F334 AromaticContact CE1-CE1 3.99Å; Y274-F334 HydrophobicContact CE1-CE1 3.99Å; Y274-F334 HydrophobicContact CE1-CZ 4.04Å; Y274-F345 AromaticContact CD2-CE1 3.82Å; Y274-F345 HydrophobicContact CD2-CE1 3.82Å; Y274-F345 HydrophobicContact CD2-CZ 4.3Å; Y274-F345 HydrophobicContact CE2-CE1 4.32Å; Y274-F345 HydrophobicContact CG-CE1 4.1Å; Y274-F345 HydrophobicContact CG-CZ 4.4Å |
| 275 | S | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 139.9 | 168.2 | -53.7 | 0 | 0 | 0 | 0 | 109.5 | A119 S123 M294 R295 | A119-S275 WeakPolarHBondContact CA-OG 3.42Å; A119-S275 PolarHBondContact O-OG 3.47Å; S123-S275 VanDerWaalsContact OG-CB 3.27Å; S123-S275 WeakPolarHBondContact OG-CB 3.43Å; S123-S275 PolarHBondContact OG-OG 3Å; S275-M294 CarbonylContact O-C 3.29Å; S275-M294 WeakPolarHBondContact O-CA 3.43Å; S275-R295 PolarHBondContact N-O 3.46Å; S275-R295 PolarHBondContact O-N 2.99Å |
| 276 | V | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 115.4 | 165.7 | 175.6 | 0 | 0 | 0 | 0 | 107.7 | L248 C250 I292 M294 L348 | L248-V276 HydrophobicContact CB-CB 3.68Å; L248-V276 HydrophobicContact CB-CG1 4.3Å; L248-V276 HydrophobicContact CB-CG2 4.35Å; L248-V276 HydrophobicContact CD2-CB 4.4Å; L248-V276 HydrophobicContact CD2-CG1 4.15Å; L248-V276 PolarHBondContact O-N 3.49Å; C250-V276 HydrophobicContact CB-CG2 4.17Å; V276-I292 HydrophobicContact CG1-CD1 3.81Å; V276-I292 HydrophobicContact CG1-CG1 3.82Å; V276-I292 HydrophobicContact CG2-CD1 4.3Å; V276-M294 HydrophobicContact CG2-CG 4.27Å; V276-L348 HydrophobicContact CG2-CD1 3.96Å |
| 277 | T | 93.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -0.7 | -168.4 | 67.6 | 0 | 0 | 0 | 0 | 113.9 | L126 R293 R295 E333 | L126-T277 HydrophobicContact CD1-CG2 4.15Å; T277-R293 PolarHBondContact N-O 2.79Å; T277-R293 PolarHBondContact O-NH2 3.19Å; T277-R293 WeakPolarHBondContact OG1-CG 3.48Å; T277-R293 PolarHBondContact OG1-NE 3.31Å; T277-R295 HydrophobicContact CG2-CB 3.86Å; T277-E333 VanDerWaalsContact CB-OE1 3.31Å; T277-E333 WeakPolarHBondContact CB-OE1 3.35Å; T277-E333 PolarHBondContact OG1-OE1 3.16Å |
| 278 | G | 93.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | 158.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | R293 | G278-R293 PolarHBondContact N-O 3.47Å; G278-R293 PolarHBondContact O-N 3.33Å |
| 279 | A | 94.8 | Very high | 94.2 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 13% | 0.132 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 135.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y235 I238 L239 L242 L291 | Y235-A279 HydrophobicContact CE2-CB 4.18Å; I238-A279 HydrophobicContact CG2-CB 3.94Å; L239-A279 HydrophobicContact CD2-CB 3.75Å; L239-A279 WeakPolarHBondContact CD2-O 3.4Å; L239-A279 HydrophobicContact CG-CB 4.32Å; L242-A279 HydrophobicContact CD1-CB 3.79Å; A279-L291 WeakPolarHBondContact CA-O 3.28Å |
| 280 | K | 94.4 | Very high | 94.3 | Very high | 98 Ų | 98 | 47.9 Ų | 47.9 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 137.7 | -175.5 | -168.1 | 70.1 | 177.6 | -173.5 | 0 | 110.9 | Y235 V282 L291 L325 W335 | Y235-K280 PolarHBondContact OH-N 3.14Å; Y235-K280 PolarHBondContact OH-O 3.06Å; Y235-K280 VanDerWaalsContact OH-O 3.07Å; K280-V282 HydrophobicContact CG-CG1 4.39Å; K280-L291 PolarHBondContact N-O 2.73Å; K280-L291 WeakPolarHBondContact O-CA 3.49Å; K280-L291 WeakPolarHBondContact O-CB 3.06Å; K280-L291 PolarHBondContact O-N 2.86Å; K280-L325 HydrophobicContact CB-CD2 4.33Å; K280-L325 HydrophobicContact CG-CD1 4.05Å; K280-L325 HydrophobicContact CG-CD2 4.06Å; K280-W335 HydrophobicContact CB-CH2 3.86Å; K280-W335 HydrophobicContact CB-CZ3 4.02Å |
| 281 | Q | 94.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 45.1 Ų | 45.1 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132 | 170.2 | -57.3 | -172.9 | -60.4 | 0 | 0 | 109.1 | Y235 M288 V289 N290 | Y235-Q281 HydrophobicContact CE1-CG 3.76Å; Q281-M288 HydrophobicContact CB-CG 4.15Å; Q281-M288 HydrophobicContact CB-SD 4.29Å; Q281-V289 WeakPolarHBondContact CA-O 3.35Å; Q281-N290 WeakPolarHBondContact CG-OD1 3.43Å; Q281-N290 PolarHBondContact NE2-OD1 3.32Å |
| 282 | V | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 146.4 | 178.4 | -59 | 0 | 0 | 0 | 0 | 110.9 | K280 Y284 V289 L291 W307 V317 L325 | K280-V282 HydrophobicContact CG-CG1 4.39Å; V282-Y284 PolarHBondContact O-N 3.32Å; V282-V289 HydrophobicContact CG2-CB 4.37Å; V282-V289 PolarHBondContact N-O 2.93Å; V282-V289 PolarHBondContact O-N 3.16Å; V282-L291 HydrophobicContact CB-CD1 4.43Å; V282-L291 HydrophobicContact CG1-CD1 3.96Å; V282-L291 HydrophobicContact CG2-CD1 3.56Å; V282-L291 HydrophobicContact CG2-CG 3.89Å; V282-W307 HydrophobicContact CG2-CH2 4.17Å; V282-W307 HydrophobicContact CG2-CZ3 4.48Å; V282-V317 HydrophobicContact CB-CG1 4.49Å; V282-V317 HydrophobicContact CG2-CG2 4.36Å; V282-L325 HydrophobicContact CG1-CD1 3.54Å |
| 283 | N | 94 | Very high | 94.9 | Very high | 76 Ų | 76 | 45.7 Ų | 45.7 | 41% | 0.406 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 113 | 172.1 | -165.2 | -25.5 | 0 | 0 | 0 | 109.8 | G286 M288 | N283-G286 VanDerWaalsContact OD1-CA 3.22Å; N283-G286 WeakPolarHBondContact OD1-CA 3.5Å; N283-G286 PolarHBondContact OD1-N 3.04Å; N283-M288 HydrophobicContact CB-CE 3.53Å; N283-M288 HydrophobicContact CB-SD 4.34Å |
| 284 | Y | 92.3 | Very high | 94.9 | Very high | 46 Ų | 46 | 45.4 Ų | 45.4 | 18% | 0.18 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 109.4 | 174.5 | 177.1 | -104.6 | 0 | 0 | 0 | 109.4 | V282 G286 Q287 V289 W307 E313 | V282-Y284 PolarHBondContact O-N 3.32Å; Y284-G286 VanDerWaalsContact C-N 3.26Å; Y284-G286 PolarHBondContact O-N 3.24Å; Y284-Q287 PolarHBondContact N-O 2.6Å; Y284-Q287 PolarHBondContact O-N 3.38Å; Y284-V289 HydrophobicContact CD1-CG2 4.37Å; Y284-V289 HydrophobicContact CG-CG2 4.48Å; Y284-W307 HydrophobicContact CD1-CZ2 4.36Å; Y284-W307 AromaticContact CD2-CH2 3.43Å; Y284-W307 HydrophobicContact CD2-CH2 3.43Å; Y284-W307 VanDerWaalsContact CD2-CH2 3.43Å; Y284-W307 AromaticContact CD2-CZ2 3.86Å; Y284-W307 HydrophobicContact CD2-CZ2 3.86Å; Y284-W307 HydrophobicContact CD2-CZ3 4.46Å; Y284-W307 HydrophobicContact CE2-CH2 4.13Å; Y284-W307 HydrophobicContact CE2-CZ2 4.38Å; Y284-W307 AromaticContact CG-CH2 3.75Å; Y284-W307 HydrophobicContact CG-CH2 3.75Å; Y284-W307 AromaticContact CG-CZ2 3.82Å; Y284-W307 HydrophobicContact CG-CZ2 3.82Å; Y284-E313 HydrophobicContact CE2-CB 4.02Å; Y284-E313 HydrophobicContact CE2-CG 4.34Å; Y284-E313 VanDerWaalsContact CE2-O 3.31Å; Y284-E313 WeakPolarHBondContact CE2-O 3.44Å |
| 285 | R | 92.4 | Very high | 94.8 | Very high | 181 Ų | 181 | 45.5 Ų | 45.5 | 68% | 0.683 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 39.5 | 178 | -58.1 | -177.9 | 175.1 | -179.1 | -0.2 | 113.7 | Q287 S316 | R285-Q287 VanDerWaalsContact C-N 3.29Å; R285-Q287 PolarHBondContact O-N 2.94Å; R285-S316 PolarHBondContact NE-OG 2.8Å |
| 286 | G | 91 | Very high | 94.7 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 70% | 0.701 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 0.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N283 Y284 | N283-G286 VanDerWaalsContact OD1-CA 3.22Å; N283-G286 WeakPolarHBondContact OD1-CA 3.5Å; N283-G286 PolarHBondContact OD1-N 3.04Å; Y284-G286 VanDerWaalsContact C-N 3.26Å; Y284-G286 PolarHBondContact O-N 3.24Å |
| 287 | Q | 93.9 | Very high | 94.4 | Very high | 141 Ų | 141 | 45.5 Ų | 45.5 | 66% | 0.659 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.6 | 174.3 | -65.5 | -174.5 | -5.9 | 0 | 0 | 110.2 | Y284 R285 | Y284-Q287 PolarHBondContact N-O 2.6Å; Y284-Q287 PolarHBondContact O-N 3.38Å; R285-Q287 VanDerWaalsContact C-N 3.29Å; R285-Q287 PolarHBondContact O-N 2.94Å |
| 288 | M | 94.4 | Very high | 94.2 | Very high | 106 Ų | 106 | 47.3 Ų | 47.3 | 52% | 0.522 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120.1 | 177.1 | -150.3 | 48.7 | 44.6 | 0 | 0 | 109.8 | Q281 N283 | Q281-M288 HydrophobicContact CB-CG 4.15Å; Q281-M288 HydrophobicContact CB-SD 4.29Å; N283-M288 HydrophobicContact CB-CE 3.53Å; N283-M288 HydrophobicContact CB-SD 4.34Å |
| 289 | V | 95.8 | Very high | 94 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.7 | -177.8 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | Q281 V282 Y284 L291 W307 | Q281-V289 WeakPolarHBondContact CA-O 3.35Å; V282-V289 HydrophobicContact CG2-CB 4.37Å; V282-V289 PolarHBondContact N-O 2.93Å; V282-V289 PolarHBondContact O-N 3.16Å; Y284-V289 HydrophobicContact CD1-CG2 4.37Å; Y284-V289 HydrophobicContact CG-CG2 4.48Å; V289-L291 HydrophobicContact CG1-CD2 3.81Å; V289-W307 HydrophobicContact CG1-CZ2 4.22Å |
| 290 | N | 97.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 52 Ų | 52 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.8 | 174.3 | -67.6 | -11.3 | 0 | 0 | 0 | 109.1 | Y235 Q281 F338 | Y235-N290 HydrophobicContact CD1-CB 4.19Å; Y235-N290 HydrophobicContact CD2-CB 4Å; Y235-N290 HydrophobicContact CE1-CB 3.81Å; Y235-N290 VanDerWaalsContact CE1-CG 3.44Å; Y235-N290 HydrophobicContact CE2-CB 3.62Å; Y235-N290 HydrophobicContact CG-CB 4.26Å; Q281-N290 WeakPolarHBondContact CG-OD1 3.43Å; Q281-N290 PolarHBondContact NE2-OD1 3.32Å; N290-F338 HydrophobicContact CB-CB 3.79Å; N290-F338 WeakPolarHBondContact O-CB 3.49Å; N290-F338 PolarHBondContact O-N 2.82Å |
| 291 | L | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 147.9 | 175.5 | -56.3 | -175.4 | 0 | 0 | 0 | 110.8 | Y235 A279 K280 V282 V289 W307 W314 W335 M336 | Y235-L291 PolarHBondContact OH-O 2.77Å; A279-L291 WeakPolarHBondContact CA-O 3.28Å; K280-L291 PolarHBondContact N-O 2.73Å; K280-L291 WeakPolarHBondContact O-CA 3.49Å; K280-L291 WeakPolarHBondContact O-CB 3.06Å; K280-L291 PolarHBondContact O-N 2.86Å; V282-L291 HydrophobicContact CB-CD1 4.43Å; V282-L291 HydrophobicContact CG1-CD1 3.96Å; V282-L291 HydrophobicContact CG2-CD1 3.56Å; V282-L291 HydrophobicContact CG2-CG 3.89Å; V289-L291 HydrophobicContact CG1-CD2 3.81Å; L291-W307 HydrophobicContact CD1-CD2 4.16Å; L291-W307 HydrophobicContact CD1-CE3 4Å; L291-W307 HydrophobicContact CD1-CZ3 4.35Å; L291-W307 HydrophobicContact CD2-CB 4.43Å; L291-W307 HydrophobicContact CD2-CD2 3.68Å; L291-W307 HydrophobicContact CD2-CE3 4.35Å; L291-W307 HydrophobicContact CD2-CG 3.69Å; L291-W307 HydrophobicContact CD2-CZ2 4.34Å; L291-W314 HydrophobicContact CD1-CH2 4.05Å; L291-W314 HydrophobicContact CD1-CZ3 4.46Å; L291-W335 HydrophobicContact CB-CE3 3.61Å; L291-W335 HydrophobicContact CB-CZ3 3.94Å; L291-W335 HydrophobicContact CD1-CE3 4.47Å; L291-M336 WeakPolarHBondContact CA-O 3.34Å |
| 292 | I | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 136.8 | 173.5 | -168.9 | 171.4 | 0 | 0 | 0 | 108.7 | I238 V276 W335 M336 F341 | I238-I292 HydrophobicContact CD1-CD1 4.22Å; V276-I292 HydrophobicContact CG1-CD1 3.81Å; V276-I292 HydrophobicContact CG1-CG1 3.82Å; V276-I292 HydrophobicContact CG2-CD1 4.3Å; I292-W335 VanDerWaalsContact C-CE3 3.5Å; I292-W335 WeakPolarHBondContact O-CA 3.43Å; I292-M336 HydrophobicContact CG2-CG 3.79Å; I292-M336 PolarHBondContact N-O 3.44Å; I292-M336 PolarHBondContact O-N 3.31Å; I292-F341 HydrophobicContact CD1-CD1 4.06Å; I292-F341 HydrophobicContact CD1-CD2 4.26Å; I292-F341 HydrophobicContact CD1-CE1 4.07Å; I292-F341 HydrophobicContact CD1-CE2 4.28Å; I292-F341 HydrophobicContact CD1-CG 4.15Å; I292-F341 HydrophobicContact CD1-CZ 4.18Å; I292-F341 HydrophobicContact CG2-CB 3.69Å; I292-F341 HydrophobicContact CG2-CD2 4.37Å; I292-F341 HydrophobicContact CG2-CG 3.99Å |
| 293 | R | 96.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.9 | 177 | -164.9 | 173.5 | 60.7 | -174.9 | -5.8 | 109.1 | T277 G278 E333 F334 W335 | T277-R293 PolarHBondContact N-O 2.79Å; T277-R293 PolarHBondContact O-NH2 3.19Å; T277-R293 WeakPolarHBondContact OG1-CG 3.48Å; T277-R293 PolarHBondContact OG1-NE 3.31Å; G278-R293 PolarHBondContact N-O 3.47Å; G278-R293 PolarHBondContact O-N 3.33Å; R293-E333 VanDerWaalsContact CD-CD 3.41Å; R293-E333 WeakPolarHBondContact CD-OE2 3.38Å; R293-E333 HydrophobicContact CG-CG 3.66Å; R293-E333 IonicContact CZ-OE1 3.5Å; R293-E333 IonicContact CZ-OE2 3.48Å; R293-E333 IonicContact NE-OE1 3.3Å; R293-E333 PolarHBondContact NE-OE1 3.05Å; R293-E333 IonicContact NE-OE2 3.87Å; R293-E333 PolarHBondContact NE-OE2 3.41Å; R293-E333 IonicContact NH1-OE2 2.72Å; R293-E333 PolarHBondContact NH1-OE2 3.19Å; R293-F334 WeakPolarHBondContact CA-O 3.4Å; R293-W335 HydrophobicContact CB-CD2 3.74Å; R293-W335 HydrophobicContact CB-CE3 3.68Å; R293-W335 HydrophobicContact CB-CG 4.46Å; R293-W335 HydrophobicContact CB-CH2 3.85Å; R293-W335 HydrophobicContact CB-CZ2 3.88Å; R293-W335 HydrophobicContact CB-CZ3 3.75Å; R293-W335 HydrophobicContact CG-CD2 4.02Å; R293-W335 HydrophobicContact CG-CE3 4.47Å; R293-W335 HydrophobicContact CG-CG 4.35Å; R293-W335 HydrophobicContact CG-CZ2 4.19Å |
| 294 | M | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 157.9 | 177.7 | -60.8 | 175.4 | -70.5 | 0 | 0 | 110 | S275 V276 E333 F334 M336 F341 F345 | S275-M294 CarbonylContact O-C 3.29Å; S275-M294 WeakPolarHBondContact O-CA 3.43Å; V276-M294 HydrophobicContact CG2-CG 4.27Å; M294-E333 CarbonylContact O-C 3.59Å; M294-E333 VanDerWaalsContact O-CA 3.31Å; M294-E333 WeakPolarHBondContact O-CA 3.38Å; M294-F334 HydrophobicContact CB-CE2 4.41Å; M294-F334 HydrophobicContact CB-CZ 4.33Å; M294-F334 HydrophobicContact CE-CD2 4.33Å; M294-F334 HydrophobicContact CE-CE2 3.43Å; M294-F334 VanDerWaalsContact CE-CE2 3.43Å; M294-F334 HydrophobicContact CE-CZ 3.98Å; M294-F334 PolarHBondContact N-O 3.03Å; M294-F334 PolarHBondContact O-N 3.08Å; M294-M336 HydrophobicContact CE-CE 4.44Å; M294-M336 HydrophobicContact CE-CG 3.66Å; M294-M336 HydrophobicContact CE-SD 3.22Å; M294-M336 WeakPolarHBondContact CE-SD 3.49Å; M294-F341 HydrophobicContact CE-CD2 4.32Å; M294-F341 HydrophobicContact SD-CD2 3.69Å; M294-F341 HydrophobicContact SD-CE2 3.91Å; M294-F345 HydrophobicContact CE-CD2 4.37Å; M294-F345 HydrophobicContact CE-CE2 3.54Å; M294-F345 HydrophobicContact CE-CZ 3.74Å; M294-F345 HydrophobicContact SD-CD2 4.27Å; M294-F345 HydrophobicContact SD-CE1 3.97Å; M294-F345 HydrophobicContact SD-CE2 3.7Å; M294-F345 HydrophobicContact SD-CZ 3.52Å; M294-F345 VanDerWaalsContact SD-CZ 3.52Å |
| 295 | R | 95.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 130 | 175.5 | -174.7 | 176.4 | -178.7 | -85.7 | -7.6 | 111.5 | R104 I107 Y274 S275 T277 G332 E333 | R104-R295 PolarHBondContact O-NE 2.84Å; R104-R295 PolarHBondContact O-NH1 3.45Å; R104-R295 PolarHBondContact O-NH2 2.88Å; I107-R295 PolarHBondContact O-NH1 3.4Å; I107-R295 PolarHBondContact O-NH2 2.94Å; Y274-R295 WeakPolarHBondContact CA-O 3.46Å; S275-R295 PolarHBondContact N-O 3.46Å; S275-R295 PolarHBondContact O-N 2.99Å; T277-R295 HydrophobicContact CG2-CB 3.86Å; R295-G332 CarbonylContact C-O 3.28Å; R295-G332 WeakPolarHBondContact CA-O 3.35Å; R295-E333 HydrophobicContact CB-CB 4.25Å; R295-E333 HydrophobicContact CB-CG 4.49Å; R295-E333 HydrophobicContact CG-CB 4.19Å |
| 296 | N | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -77 | 120.7 | 166.5 | -171.1 | -9.6 | 0 | 0 | 0 | 109.6 | H272 Y274 W298 G299 E300 V301 G332 | H272-N296 PolarHBondContact NE2-OD1 3.25Å; Y274-N296 HydrophobicContact CD1-CB 4.09Å; Y274-N296 HydrophobicContact CE1-CB 3.6Å; N296-W298 PolarHBondContact O-N 3.27Å; N296-W298 VanDerWaalsContact O-N 3.11Å; N296-W298 PolarHBondContact OD1-N 3.32Å; N296-W298 VanDerWaalsContact OD1-N 3.1Å; N296-G299 PolarHBondContact O-N 3.25Å; N296-E300 PolarHBondContact ND2-O 3.1Å; N296-V301 PolarHBondContact ND2-O 3.18Å; N296-G332 PolarHBondContact N-O 3.05Å | ||
| 297 | P | 90.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -7 | 177.6 | 28.4 | -37.2 | 0 | 0 | 0 | 114.5 | C108 Q109 C115 L118 A119 H272 A273 G299 | C108-P297 WeakPolarHBondContact CA-O 3.49Å; Q109-P297 PolarHBondContact N-O 2.88Å; C115-P297 HydrophobicContact CB-CG 4.26Å; L118-P297 HydrophobicContact CB-CB 3.75Å; A119-P297 HydrophobicContact CB-CG 4.29Å; H272-P297 WeakPolarHBondContact NE2-CD 3.25Å; A273-P297 WeakPolarHBondContact O-CD 3.08Å; A273-P297 VanDerWaalsContact O-CG 3.23Å; A273-P297 WeakPolarHBondContact O-CG 3.29Å; P297-G299 PolarHBondContact O-N 3.06Å |
| 298 | W | 89.3 | Confident | 94.2 | Very high | 45 Ų | 45 | 28 Ų | 28 | 17% | 0.17 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.1 | 167.1 | -68.1 | -3.8 | 0 | 0 | 0 | 112.4 | Q109 E261 I263 V269 H272 N296 E300 V301 | Q109-W298 VanDerWaalsContact OE1-NE1 3.08Å; E261-W298 HydrophobicContact CB-CH2 4.47Å; E261-W298 HydrophobicContact CB-CZ2 4.21Å; E261-W298 HydrophobicContact CG-CZ2 4.29Å; I263-W298 HydrophobicContact CD1-CZ3 4.22Å; I263-W298 HydrophobicContact CG1-CZ3 4.45Å; V269-W298 HydrophobicContact CG1-CH2 3.75Å; V269-W298 HydrophobicContact CG1-CZ2 4.05Å; V269-W298 HydrophobicContact CG1-CZ3 4.38Å; V269-W298 HydrophobicContact CG2-CE3 4.19Å; V269-W298 HydrophobicContact CG2-CH2 3.9Å; V269-W298 HydrophobicContact CG2-CZ3 3.66Å; H272-W298 AromaticContact CE1-CD1 3.54Å; H272-W298 AromaticContact CE1-CE2 3.76Å; H272-W298 AromaticContact CE1-NE1 3.18Å; H272-W298 PolarHBondContact CE1-NE1 2.93Å; H272-W298 AromaticContact ND1-NE1 3.93Å; H272-W298 AromaticContact NE2-CD1 3.87Å; H272-W298 AromaticContact NE2-NE1 3.81Å; N296-W298 PolarHBondContact O-N 3.27Å; N296-W298 VanDerWaalsContact O-N 3.11Å; N296-W298 PolarHBondContact OD1-N 3.32Å; N296-W298 VanDerWaalsContact OD1-N 3.1Å; W298-E300 HydrophobicContact CB-CG 4.07Å; W298-V301 HydrophobicContact CE3-CB 4.24Å; W298-V301 HydrophobicContact CE3-CG2 4.04Å; W298-V301 HydrophobicContact CZ3-CG2 4.3Å |
| 299 | G | 87.6 | Confident | 94 | Very high | 12 Ų | 12 | 23.8 Ų | 23.8 | 12% | 0.124 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 75 | 13 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N296 P297 D331 | N296-G299 PolarHBondContact O-N 3.25Å; P297-G299 PolarHBondContact O-N 3.06Å; G299-D331 VanDerWaalsContact C-C 3.44Å; G299-D331 CarbonylContact C-O 3.46Å; G299-D331 WeakPolarHBondContact CA-O 3.4Å; G299-D331 CarbonylContact O-C 3.45Å; G299-D331 VanDerWaalsContact O-C 3.24Å; G299-D331 WeakPolarHBondContact O-CA 3.42Å |
| 300 | E | 89.7 | Confident | 93.8 | Very high | 111 Ų | 111 | 27.6 Ų | 27.6 | 52% | 0.519 | 16% | 0.159 | S | C | . | . | trans | -157.2 | 177.2 | 179 | 54.7 | 174 | -160.6 | 0 | 0 | 109.4 | N296 W298 E330 | N296-E300 PolarHBondContact ND2-O 3.1Å; W298-E300 HydrophobicContact CB-CG 4.07Å; E300-E330 HydrophobicContact CB-CG 4.35Å | ||
| 301 | V | 91.7 | Very high | 93.6 | Very high | 25 Ų | 25 | 25.8 Ų | 25.8 | 15% | 0.152 | 15% | 0.151 | C | C | . | . | trans | 66.4 | 85.2 | 178.8 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | I263 K267 V269 N296 W298 E330 | I263-V301 HydrophobicContact CD1-CG1 4.36Å; I263-V301 HydrophobicContact CG2-CG1 4.32Å; K267-V301 HydrophobicContact CB-CG1 4.13Å; K267-V301 WeakPolarHBondContact O-CG1 3.37Å; V269-V301 HydrophobicContact CG2-CG1 4.37Å; N296-V301 PolarHBondContact ND2-O 3.18Å; W298-V301 HydrophobicContact CE3-CB 4.24Å; W298-V301 HydrophobicContact CE3-CG2 4.04Å; W298-V301 HydrophobicContact CZ3-CG2 4.3Å; V301-E330 WeakPolarHBondContact CA-OE1 3.5Å; V301-E330 PolarHBondContact N-OE1 2.89Å | ||
| 302 | E | 93.4 | Very high | 93.5 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.065 | 18% | 0.177 | C | C | . | . | trans | -105.4 | 156.2 | -176.6 | -67.6 | 171.2 | -162.8 | 0 | 0 | 114.9 | K267 T304 E330 D331 G332 F334 | K267-E302 WeakPolarHBondContact CB-O 3.43Å; K267-E302 WeakPolarHBondContact CD-O 3.43Å; E302-T304 PolarHBondContact O-N 3.23Å; E302-E330 PolarHBondContact N-OE1 3.35Å; E302-E330 WeakPolarHBondContact OE1-CA 3.34Å; E302-D331 PolarHBondContact OE1-N 3.46Å; E302-G332 PolarHBondContact OE1-N 3.33Å; E302-F334 HydrophobicContact CB-CB 4.39Å; E302-F334 HydrophobicContact CB-CD1 4.05Å; E302-F334 HydrophobicContact CG-CD1 4.06Å | ||
| 303 | W | 95.5 | Very high | 93.3 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | trans | -51.9 | 132.2 | 173.9 | 169.5 | -113.2 | 0 | 0 | 0 | 113 | K266 L268 G305 A306 S308 F334 M336 D340 E344 | K266-W303 HydrophobicContact CB-CE3 3.74Å; K266-W303 HydrophobicContact CB-CH2 4.34Å; K266-W303 HydrophobicContact CB-CZ3 3.49Å; K266-W303 VanDerWaalsContact CB-CZ3 3.49Å; K266-W303 HydrophobicContact CD-CE3 4.2Å; K266-W303 HydrophobicContact CD-CH2 3.26Å; K266-W303 HydrophobicContact CD-CZ2 4.25Å; K266-W303 HydrophobicContact CD-CZ3 3.22Å; K266-W303 HydrophobicContact CG-CH2 4.43Å; K266-W303 HydrophobicContact CG-CZ3 4.01Å; L268-W303 HydrophobicContact CD1-CE3 3.79Å; L268-W303 HydrophobicContact CD1-CZ3 3.62Å; L268-W303 HydrophobicContact CD2-CB 4.34Å; L268-W303 HydrophobicContact CD2-CE3 3.86Å; L268-W303 HydrophobicContact CG-CE3 3.71Å; L268-W303 HydrophobicContact CG-CZ3 4.01Å; W303-G305 VanDerWaalsContact NE1-C 3.26Å; W303-A306 PolarHBondContact NE1-O 3.5Å; W303-S308 WeakPolarHBondContact O-CB 3.47Å; W303-F334 HydrophobicContact CB-CB 4.31Å; W303-F334 HydrophobicContact CB-CD1 4.23Å; W303-F334 HydrophobicContact CB-CD2 3.2Å; W303-F334 HydrophobicContact CB-CE1 4.37Å; W303-F334 HydrophobicContact CB-CE2 3.36Å; W303-F334 HydrophobicContact CB-CG 3.66Å; W303-F334 HydrophobicContact CB-CZ 3.97Å; W303-F334 AromaticContact CG-CD2 3.99Å; W303-F334 HydrophobicContact CG-CD2 3.99Å; W303-F334 HydrophobicContact CG-CE2 4.14Å; W303-M336 HydrophobicContact CD2-CE 3.68Å; W303-M336 HydrophobicContact CE3-CE 3.74Å; W303-M336 HydrophobicContact CG-CE 4.39Å; W303-M336 HydrophobicContact CH2-CE 3.52Å; W303-M336 HydrophobicContact CZ2-CE 3.52Å; W303-M336 HydrophobicContact CZ3-CE 3.64Å; W303-D340 HydrophobicContact CH2-CB 4.42Å; W303-D340 HydrophobicContact CZ2-CB 4.22Å; W303-E344 HydrophobicContact CH2-CG 3.96Å; W303-E344 HydrophobicContact CZ3-CG 4.06Å | ||
| 304 | T | 95.3 | Very high | 93.2 | Very high | 72 Ų | 72 | 29.4 Ų | 29.4 | 44% | 0.442 | 18% | 0.178 | S | C | . | . | trans | -106.5 | 7.1 | 179.8 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | K266 K267 E302 | K266-T304 WeakPolarHBondContact CA-OG1 3.49Å; K266-T304 PolarHBondContact O-N 2.82Å; K267-T304 HydrophobicContact CB-CG2 4.15Å; K267-T304 HydrophobicContact CD-CG2 3.57Å; K267-T304 HydrophobicContact CG-CG2 3.73Å; E302-T304 PolarHBondContact O-N 3.23Å | ||
| 305 | G | 95.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -86.7 | -160.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W303 S308 S311 | W303-G305 VanDerWaalsContact NE1-C 3.26Å; G305-S308 VanDerWaalsContact O-CB 3.24Å; G305-S308 WeakPolarHBondContact O-CB 3.4Å; G305-S308 PolarHBondContact O-N 2.97Å; G305-S308 PolarHBondContact O-OG 2.82Å; G305-S311 PolarHBondContact O-OG 2.71Å; G305-S311 VanDerWaalsContact O-OG 3.1Å |
| 306 | A | 95.1 | Very high | 93 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 22% | 0.223 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 139.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | W303 S308 S311 E313 | W303-A306 PolarHBondContact NE1-O 3.5Å; A306-S308 PolarHBondContact O-N 3.2Å; A306-S311 WeakPolarHBondContact CA-OG 3.39Å; A306-E313 HydrophobicContact CB-CG 4.43Å; A306-E313 VanDerWaalsContact CB-OE1 3.26Å; A306-E313 WeakPolarHBondContact CB-OE1 3.35Å |
| 307 | W | 95.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 3 | -177.2 | -51.1 | 101.3 | 0 | 0 | 0 | 116.9 | V282 Y284 V289 L291 S311 E313 W314 V317 W335 | V282-W307 HydrophobicContact CG2-CH2 4.17Å; V282-W307 HydrophobicContact CG2-CZ3 4.48Å; Y284-W307 HydrophobicContact CD1-CZ2 4.36Å; Y284-W307 AromaticContact CD2-CH2 3.43Å; Y284-W307 HydrophobicContact CD2-CH2 3.43Å; Y284-W307 VanDerWaalsContact CD2-CH2 3.43Å; Y284-W307 AromaticContact CD2-CZ2 3.86Å; Y284-W307 HydrophobicContact CD2-CZ2 3.86Å; Y284-W307 HydrophobicContact CD2-CZ3 4.46Å; Y284-W307 HydrophobicContact CE2-CH2 4.13Å; Y284-W307 HydrophobicContact CE2-CZ2 4.38Å; Y284-W307 AromaticContact CG-CH2 3.75Å; Y284-W307 HydrophobicContact CG-CH2 3.75Å; Y284-W307 AromaticContact CG-CZ2 3.82Å; Y284-W307 HydrophobicContact CG-CZ2 3.82Å; V289-W307 HydrophobicContact CG1-CZ2 4.22Å; L291-W307 HydrophobicContact CD1-CD2 4.16Å; L291-W307 HydrophobicContact CD1-CE3 4Å; L291-W307 HydrophobicContact CD1-CZ3 4.35Å; L291-W307 HydrophobicContact CD2-CB 4.43Å; L291-W307 HydrophobicContact CD2-CD2 3.68Å; L291-W307 HydrophobicContact CD2-CE3 4.35Å; L291-W307 HydrophobicContact CD2-CG 3.69Å; L291-W307 HydrophobicContact CD2-CZ2 4.34Å; W307-S311 PolarHBondContact N-OG 3.14Å; W307-E313 HydrophobicContact CD2-CB 4.02Å; W307-E313 HydrophobicContact CE3-CB 3.91Å; W307-E313 HydrophobicContact CH2-CB 4.03Å; W307-E313 HydrophobicContact CZ2-CB 4.12Å; W307-E313 HydrophobicContact CZ3-CB 3.91Å; W307-W314 AromaticContact CE3-CD2 3.96Å; W307-W314 HydrophobicContact CE3-CD2 3.96Å; W307-W314 AromaticContact CE3-CE2 3.98Å; W307-W314 HydrophobicContact CE3-CE3 4.15Å; W307-W314 HydrophobicContact CE3-CG 4.48Å; W307-W314 HydrophobicContact CE3-CH2 4.39Å; W307-W314 HydrophobicContact CE3-CZ2 4.21Å; W307-W314 HydrophobicContact CE3-CZ3 4.35Å; W307-W314 HydrophobicContact CZ3-CD2 4.2Å; W307-W314 HydrophobicContact CZ3-CE3 4.06Å; W307-W314 HydrophobicContact CZ3-CZ3 4.39Å; W307-W314 PolarHBondContact O-NE1 2.97Å; W307-V317 HydrophobicContact CH2-CG2 3.72Å; W307-V317 HydrophobicContact CZ3-CG2 3.53Å; W307-W335 CarbonylContact C-O 3.59Å; W307-W335 VanDerWaalsContact C-O 3.29Å; W307-W335 HydrophobicContact CB-CB 4.28Å |
| 308 | S | 94.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -52.5 | 162.4 | 164.9 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | W303 G305 A306 S310 S311 W314 | W303-S308 WeakPolarHBondContact O-CB 3.47Å; G305-S308 VanDerWaalsContact O-CB 3.24Å; G305-S308 WeakPolarHBondContact O-CB 3.4Å; G305-S308 PolarHBondContact O-N 2.97Å; G305-S308 PolarHBondContact O-OG 2.82Å; A306-S308 PolarHBondContact O-N 3.2Å; S308-S310 PolarHBondContact O-N 3.24Å; S308-S311 PolarHBondContact N-OG 2.81Å; S308-S311 VanDerWaalsContact O-CB 3.24Å; S308-S311 WeakPolarHBondContact O-CB 3.5Å; S308-S311 PolarHBondContact O-N 2.7Å; S308-S311 PolarHBondContact OG-OG 2.84Å; S308-W314 VanDerWaalsContact O-CD1 3.28Å; S308-W314 PolarHBondContact O-NE1 3.11Å |
| 309 | D | 91.8 | Very high | 93 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.4 | -178.6 | -79.7 | 24.4 | 0 | 0 | 0 | 113.8 | V327 K328 M329 | D309-V327 VanDerWaalsContact CG-O 3.25Å; D309-K328 VanDerWaalsContact O-CE 3.25Å; D309-K328 WeakPolarHBondContact O-CE 3.36Å; D309-K328 WeakPolarHBondContact OD2-CA 3.4Å; D309-M329 PolarHBondContact OD2-N 2.9Å; D309-M329 VanDerWaalsContact OD2-N 3.13Å |
| 310 | S | 90.4 | Very high | 93.1 | Very high | 109 Ų | 109 | 49.4 Ų | 49.4 | 76% | 0.762 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.8 | 178.9 | -65 | 0 | 0 | 0 | 0 | 114.3 | S308 | S308-S310 PolarHBondContact O-N 3.24Š|
| 311 | S | 93.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | trans | -61.8 | 143.3 | -179.5 | -104.9 | 0 | 0 | 0 | 0 | 113.7 | G305 A306 W307 S308 E313 | G305-S311 PolarHBondContact O-OG 2.71Å; G305-S311 VanDerWaalsContact O-OG 3.1Å; A306-S311 WeakPolarHBondContact CA-OG 3.39Å; W307-S311 PolarHBondContact N-OG 3.14Å; S308-S311 PolarHBondContact N-OG 2.81Å; S308-S311 VanDerWaalsContact O-CB 3.24Å; S308-S311 WeakPolarHBondContact O-CB 3.5Å; S308-S311 PolarHBondContact O-N 2.7Å; S308-S311 PolarHBondContact OG-OG 2.84Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 VanDerWaalsContact CB-OE2 3.31Å; S311-E313 WeakPolarHBondContact CB-OE2 3.29Å; S311-E313 PolarHBondContact O-N 3.34Å; S311-E313 PolarHBondContact OG-OE2 2.86Å; S311-E313 VanDerWaalsContact OG-OE2 3.11Å | ||
| 312 | S | 94.1 | Very high | 93 | Very high | 79 Ų | 79 | 49 Ų | 49 | 55% | 0.552 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -71.8 | -21.8 | 174.9 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | W314 N315 | S312-W314 PolarHBondContact O-N 2.58Å; S312-N315 WeakPolarHBondContact O-CB 3.48Å; S312-N315 PolarHBondContact O-N 2.91Å; S312-N315 PolarHBondContact O-ND2 2.83Å |
| 313 | E | 94.3 | Very high | 92.7 | Very high | 42 Ų | 42 | 56 Ų | 56 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -59.2 | -38 | -177.4 | -73.4 | 81.2 | 158.4 | 0 | 0 | 111 | Y284 A306 W307 S311 N315 S316 | Y284-E313 HydrophobicContact CE2-CB 4.02Å; Y284-E313 HydrophobicContact CE2-CG 4.34Å; Y284-E313 VanDerWaalsContact CE2-O 3.31Å; Y284-E313 WeakPolarHBondContact CE2-O 3.44Å; A306-E313 HydrophobicContact CB-CG 4.43Å; A306-E313 VanDerWaalsContact CB-OE1 3.26Å; A306-E313 WeakPolarHBondContact CB-OE1 3.35Å; W307-E313 HydrophobicContact CD2-CB 4.02Å; W307-E313 HydrophobicContact CE3-CB 3.91Å; W307-E313 HydrophobicContact CH2-CB 4.03Å; W307-E313 HydrophobicContact CZ2-CB 4.12Å; W307-E313 HydrophobicContact CZ3-CB 3.91Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 VanDerWaalsContact CB-OE2 3.31Å; S311-E313 WeakPolarHBondContact CB-OE2 3.29Å; S311-E313 PolarHBondContact O-N 3.34Å; S311-E313 PolarHBondContact OG-OE2 2.86Å; S311-E313 VanDerWaalsContact OG-OE2 3.11Å; E313-N315 PolarHBondContact O-N 2.82Å; E313-N315 VanDerWaalsContact O-N 3.08Å; E313-S316 PolarHBondContact O-N 3.13Å |
| 314 | W | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -56.7 | -23.9 | 173.9 | -69.7 | 116.9 | 0 | 0 | 0 | 113.8 | L291 W307 S308 S312 S316 V317 R322 L325 R326 W335 | L291-W314 HydrophobicContact CD1-CH2 4.05Å; L291-W314 HydrophobicContact CD1-CZ3 4.46Å; W307-W314 AromaticContact CE3-CD2 3.96Å; W307-W314 HydrophobicContact CE3-CD2 3.96Å; W307-W314 AromaticContact CE3-CE2 3.98Å; W307-W314 HydrophobicContact CE3-CE3 4.15Å; W307-W314 HydrophobicContact CE3-CG 4.48Å; W307-W314 HydrophobicContact CE3-CH2 4.39Å; W307-W314 HydrophobicContact CE3-CZ2 4.21Å; W307-W314 HydrophobicContact CE3-CZ3 4.35Å; W307-W314 HydrophobicContact CZ3-CD2 4.2Å; W307-W314 HydrophobicContact CZ3-CE3 4.06Å; W307-W314 HydrophobicContact CZ3-CZ3 4.39Å; W307-W314 PolarHBondContact O-NE1 2.97Å; S308-W314 VanDerWaalsContact O-CD1 3.28Å; S308-W314 PolarHBondContact O-NE1 3.11Å; S312-W314 PolarHBondContact O-N 2.58Å; W314-S316 PolarHBondContact O-N 3.01Å; W314-V317 HydrophobicContact CE3-CB 4.49Å; W314-V317 HydrophobicContact CE3-CG2 4.27Å; W314-V317 PolarHBondContact O-N 3.3Å; W314-R322 HydrophobicContact CB-CG 4.28Å; W314-R322 HydrophobicContact CE3-CG 4.18Å; W314-R322 WeakPolarHBondContact O-CD 3.47Å; W314-L325 HydrophobicContact CH2-CB 4.02Å; W314-L325 HydrophobicContact CZ3-CB 4.1Å; W314-R326 VanDerWaalsContact CD1-CD 3.46Å; W314-R326 HydrophobicContact CD2-CB 4.09Å; W314-R326 HydrophobicContact CD2-CG 4.16Å; W314-R326 HydrophobicContact CE3-CB 4.24Å; W314-R326 VanDerWaalsContact CG-CD 3.48Å; W314-R326 HydrophobicContact CG-CG 4.28Å; W314-R326 HydrophobicContact CH2-CB 4.4Å; W314-R326 HydrophobicContact CZ2-CB 4.24Å; W314-R326 HydrophobicContact CZ2-CG 4.42Å; W314-R326 HydrophobicContact CZ3-CB 4.39Å; W314-W335 HydrophobicContact CH2-CB 4.41Å; W314-W335 HydrophobicContact CH2-CG 4.08Å; W314-W335 HydrophobicContact CZ2-CB 3.87Å; W314-W335 AromaticContact CZ2-CD1 3.76Å; W314-W335 AromaticContact CZ2-CG 3.87Å; W314-W335 HydrophobicContact CZ2-CG 3.87Å |
| 315 | N | 93 | Very high | 91.9 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 57% | 0.567 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -70.8 | -14.7 | 178.6 | -60.7 | -30.4 | 0 | 0 | 0 | 113.2 | S312 E313 | S312-N315 WeakPolarHBondContact O-CB 3.48Å; S312-N315 PolarHBondContact O-N 2.91Å; S312-N315 PolarHBondContact O-ND2 2.83Å; E313-N315 PolarHBondContact O-N 2.82Å; E313-N315 VanDerWaalsContact O-N 3.08Å |
| 316 | S | 93.1 | Very high | 91.2 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -105.3 | 7.9 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | R285 E313 W314 | R285-S316 PolarHBondContact NE-OG 2.8Å; E313-S316 PolarHBondContact O-N 3.13Å; W314-S316 PolarHBondContact O-N 3.01Å |
| 317 | V | 92.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -93.9 | 150 | 170.1 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | V282 W307 W314 E321 R322 | V282-V317 HydrophobicContact CB-CG1 4.49Å; V282-V317 HydrophobicContact CG2-CG2 4.36Å; W307-V317 HydrophobicContact CH2-CG2 3.72Å; W307-V317 HydrophobicContact CZ3-CG2 3.53Å; W314-V317 HydrophobicContact CE3-CB 4.49Å; W314-V317 HydrophobicContact CE3-CG2 4.27Å; W314-V317 PolarHBondContact O-N 3.3Å; V317-E321 HydrophobicContact CG1-CB 4.03Å; V317-R322 HydrophobicContact CG1-CB 4.41Å |
| 318 | D | 91.2 | Very high | 89.4 | Confident | 87 Ų | 87 | 68 Ų | 68 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | trans | -50.4 | 133.4 | 174.7 | -179.5 | -91.6 | 0 | 0 | 0 | 111.1 | Y320 E321 R322 | D318-Y320 PolarHBondContact O-N 3.41Å; D318-Y320 VanDerWaalsContact OD1-CB 3.26Å; D318-Y320 WeakPolarHBondContact OD1-CB 3.34Å; D318-Y320 PolarHBondContact OD1-N 3.41Å; D318-E321 HydrophobicContact CB-CB 4.41Å; D318-E321 HydrophobicContact CB-CG 4.45Å; D318-E321 PolarHBondContact O-N 3.32Å; D318-E321 PolarHBondContact OD1-N 3.12Å; D318-R322 VanDerWaalsContact O-CB 3.28Å; D318-R322 WeakPolarHBondContact O-CB 3.43Å; D318-R322 PolarHBondContact O-N 3.23Å | ||
| 319 | P | 91.5 | Very high | 88.8 | Confident | 81 Ų | 81 | 72.5 Ų | 72.5 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.9 | -35.3 | -176.3 | -28.1 | 35.8 | 0 | 0 | 0 | 114.5 | E323 | P319-E323 WeakPolarHBondContact O-CB 3.49Å; P319-E323 PolarHBondContact O-N 2.86Å |
| 320 | Y | 90.8 | Very high | 88.3 | Confident | 156 Ų | 156 | 77 Ų | 77 | 61% | 0.612 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -72.1 | -48.2 | -179.5 | 179.5 | -99.3 | 0 | 0 | 0 | 111.1 | D318 R322 E323 Q324 | D318-Y320 PolarHBondContact O-N 3.41Å; D318-Y320 VanDerWaalsContact OD1-CB 3.26Å; D318-Y320 WeakPolarHBondContact OD1-CB 3.34Å; D318-Y320 PolarHBondContact OD1-N 3.41Å; Y320-R322 VanDerWaalsContact C-N 3.26Å; Y320-R322 PolarHBondContact O-N 2.95Å; Y320-E323 PolarHBondContact O-N 2.73Å; Y320-Q324 WeakPolarHBondContact O-CG 3.45Å; Y320-Q324 PolarHBondContact O-N 2.8Å; Y320-Q324 VanDerWaalsContact O-N 3.17Å; Y320-Q324 PolarHBondContact OH-NE2 3.5Å |
| 321 | E | 88.3 | Confident | 88.2 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 173.6 | -70 | -163.3 | 141.8 | 0 | 0 | 111.6 | V317 D318 Q324 L325 | V317-E321 HydrophobicContact CG1-CB 4.03Å; D318-E321 HydrophobicContact CB-CB 4.41Å; D318-E321 HydrophobicContact CB-CG 4.45Å; D318-E321 PolarHBondContact O-N 3.32Å; D318-E321 PolarHBondContact OD1-N 3.12Å; E321-Q324 PolarHBondContact O-N 2.75Å; E321-L325 HydrophobicContact CB-CD1 4.5Å; E321-L325 WeakPolarHBondContact O-CB 3.37Å; E321-L325 VanDerWaalsContact O-CG 3.23Å; E321-L325 WeakPolarHBondContact O-CG 3.11Å; E321-L325 PolarHBondContact O-N 2.77Å |
| 322 | R | 89.2 | Confident | 88 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 26% | 0.26 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 178.1 | -176.6 | -177.4 | 76.1 | 171.5 | -4.5 | 112.3 | W314 V317 D318 Y320 Q324 L325 R326 | W314-R322 HydrophobicContact CB-CG 4.28Å; W314-R322 HydrophobicContact CE3-CG 4.18Å; W314-R322 WeakPolarHBondContact O-CD 3.47Å; V317-R322 HydrophobicContact CG1-CB 4.41Å; D318-R322 VanDerWaalsContact O-CB 3.28Å; D318-R322 WeakPolarHBondContact O-CB 3.43Å; D318-R322 PolarHBondContact O-N 3.23Å; Y320-R322 VanDerWaalsContact C-N 3.26Å; Y320-R322 PolarHBondContact O-N 2.95Å; R322-Q324 VanDerWaalsContact C-N 3.31Å; R322-L325 PolarHBondContact O-N 3.2Å; R322-R326 HydrophobicContact CG-CB 4.35Å; R322-R326 WeakPolarHBondContact O-CB 3.4Å; R322-R326 PolarHBondContact O-N 2.78Å |
| 323 | E | 87.7 | Confident | 88 | Confident | 162 Ų | 162 | 68.8 Ų | 68.8 | 76% | 0.757 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.9 | -32.9 | 179.6 | -172.5 | 162.6 | -153.9 | 0 | 0 | 112.1 | P319 Y320 | P319-E323 WeakPolarHBondContact O-CB 3.49Å; P319-E323 PolarHBondContact O-N 2.86Å; Y320-E323 PolarHBondContact O-N 2.73Å |
| 324 | Q | 87.3 | Confident | 88.1 | Confident | 117 Ų | 117 | 66.8 Ų | 66.8 | 55% | 0.547 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -72.7 | -37.6 | 175.1 | -70 | -170.4 | -15.2 | 0 | 0 | 113.8 | Y320 E321 R322 | Y320-Q324 WeakPolarHBondContact O-CG 3.45Å; Y320-Q324 PolarHBondContact O-N 2.8Å; Y320-Q324 VanDerWaalsContact O-N 3.17Å; Y320-Q324 PolarHBondContact OH-NE2 3.5Å; E321-Q324 PolarHBondContact O-N 2.75Å; R322-Q324 VanDerWaalsContact C-N 3.31Å |
| 325 | L | 87 | Confident | 88.2 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -93.9 | -37.8 | -171.5 | -62.6 | 172.3 | 0 | 0 | 0 | 112.7 | K280 V282 W314 E321 R322 V327 W335 | K280-L325 HydrophobicContact CB-CD2 4.33Å; K280-L325 HydrophobicContact CG-CD1 4.05Å; K280-L325 HydrophobicContact CG-CD2 4.06Å; V282-L325 HydrophobicContact CG1-CD1 3.54Å; W314-L325 HydrophobicContact CH2-CB 4.02Å; W314-L325 HydrophobicContact CZ3-CB 4.1Å; E321-L325 HydrophobicContact CB-CD1 4.5Å; E321-L325 WeakPolarHBondContact O-CB 3.37Å; E321-L325 VanDerWaalsContact O-CG 3.23Å; E321-L325 WeakPolarHBondContact O-CG 3.11Å; E321-L325 PolarHBondContact O-N 2.77Å; R322-L325 PolarHBondContact O-N 3.2Å; L325-V327 PolarHBondContact O-N 2.76Å; L325-W335 HydrophobicContact CB-CZ2 4.25Å; L325-W335 HydrophobicContact CD2-CH2 4.04Å; L325-W335 HydrophobicContact CD2-CZ2 3.7Å; L325-W335 PolarHBondContact O-NE1 3.01Å |
| 326 | R | 80.2 | Confident | 88.4 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 18% | 0.181 | 30% | 0.3 | C | S | . | . | trans | -94.3 | 95 | -173.3 | -170.8 | -172.1 | 71.1 | -172.7 | -1.4 | 110.9 | W314 R322 K328 | W314-R326 VanDerWaalsContact CD1-CD 3.46Å; W314-R326 HydrophobicContact CD2-CB 4.09Å; W314-R326 HydrophobicContact CD2-CG 4.16Å; W314-R326 HydrophobicContact CE3-CB 4.24Å; W314-R326 VanDerWaalsContact CG-CD 3.48Å; W314-R326 HydrophobicContact CG-CG 4.28Å; W314-R326 HydrophobicContact CH2-CB 4.4Å; W314-R326 HydrophobicContact CZ2-CB 4.24Å; W314-R326 HydrophobicContact CZ2-CG 4.42Å; W314-R326 HydrophobicContact CZ3-CB 4.39Å; R322-R326 HydrophobicContact CG-CB 4.35Å; R322-R326 WeakPolarHBondContact O-CB 3.4Å; R322-R326 PolarHBondContact O-N 2.78Å; R326-K328 HydrophobicContact CG-CG 4.36Å | ||
| 327 | V | 75.4 | Confident | 88.6 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 42% | 0.418 | 29% | 0.29 | S | S | . | . | trans | -74.4 | 143.8 | 157.5 | -172.4 | 0 | 0 | 0 | 0 | 107.3 | D309 L325 M329 | D309-V327 VanDerWaalsContact CG-O 3.25Å; L325-V327 PolarHBondContact O-N 2.76Å; V327-M329 HydrophobicContact CG1-CB 3.86Å | ||
| 328 | K | 77.4 | Confident | 88.8 | Confident | 133 Ų | 133 | 62 Ų | 62 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | trans | -118.6 | 82.3 | 174.2 | -81.7 | -168.8 | 172 | -167.6 | 0 | 107.9 | D309 R326 | D309-K328 VanDerWaalsContact O-CE 3.25Å; D309-K328 WeakPolarHBondContact O-CE 3.36Å; D309-K328 WeakPolarHBondContact OD2-CA 3.4Å; R326-K328 HydrophobicContact CG-CG 4.36Å | ||
| 329 | M | 81.2 | Confident | 89.1 | Confident | 107 Ų | 107 | 67.5 Ų | 67.5 | 53% | 0.527 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -150.3 | 136.4 | -173.9 | -173.2 | 166.7 | 169.6 | 0 | 0 | 108.3 | D309 V327 D331 | D309-M329 PolarHBondContact OD2-N 2.9Å; D309-M329 VanDerWaalsContact OD2-N 3.13Å; V327-M329 HydrophobicContact CG1-CB 3.86Å; M329-D331 VanDerWaalsContact C-N 3.28Å; M329-D331 HydrophobicContact CE-CB 4.42Å; M329-D331 HydrophobicContact CG-CB 4.07Å; M329-D331 PolarHBondContact O-N 3.4Å; M329-D331 HydrophobicContact SD-CB 4.46Å |
| 330 | E | 82.9 | Confident | 89.3 | Confident | 111 Ų | 111 | 64.5 Ų | 64.5 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | trans | -79.7 | 85.5 | 170.4 | -172.7 | 85.9 | -148.6 | 0 | 0 | 107.6 | E300 V301 E302 | E300-E330 HydrophobicContact CB-CG 4.35Å; V301-E330 WeakPolarHBondContact CA-OE1 3.5Å; V301-E330 PolarHBondContact N-OE1 2.89Å; E302-E330 PolarHBondContact N-OE1 3.35Å; E302-E330 WeakPolarHBondContact OE1-CA 3.34Å | ||
| 331 | D | 86.8 | Confident | 89.7 | Confident | 19 Ų | 19 | 57.1 Ų | 57.1 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -123.8 | 6 | -179.9 | 66.2 | 14.7 | 0 | 0 | 0 | 112.6 | T105 G299 E302 M329 E333 | T105-D331 HydrophobicContact CG2-CB 4.32Å; G299-D331 VanDerWaalsContact C-C 3.44Å; G299-D331 CarbonylContact C-O 3.46Å; G299-D331 WeakPolarHBondContact CA-O 3.4Å; G299-D331 CarbonylContact O-C 3.45Å; G299-D331 VanDerWaalsContact O-C 3.24Å; G299-D331 WeakPolarHBondContact O-CA 3.42Å; E302-D331 PolarHBondContact OE1-N 3.46Å; M329-D331 VanDerWaalsContact C-N 3.28Å; M329-D331 HydrophobicContact CE-CB 4.42Å; M329-D331 HydrophobicContact CG-CB 4.07Å; M329-D331 PolarHBondContact O-N 3.4Å; M329-D331 HydrophobicContact SD-CB 4.46Å; D331-E333 PolarHBondContact O-N 3.17Å; D331-E333 WeakPolarHBondContact OD1-CA 3.42Å; D331-E333 WeakPolarHBondContact OD1-CB 3.45Å; D331-E333 PolarHBondContact OD1-N 3.19Å |
| 332 | G | 90.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 82.4 | -6.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R295 N296 E302 F334 | R295-G332 CarbonylContact C-O 3.28Å; R295-G332 WeakPolarHBondContact CA-O 3.35Å; N296-G332 PolarHBondContact N-O 3.05Å; E302-G332 PolarHBondContact OE1-N 3.33Å; G332-F334 WeakPolarHBondContact O-CD1 3.49Å |
| 333 | E | 93.9 | Very high | 90.4 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.4 | 178.3 | -175.1 | 164.6 | -101.1 | 0 | 0 | 111.6 | R104 T277 R293 M294 R295 D331 | R104-E333 IonicContact CZ-OE1 2.71Å; R104-E333 IonicContact CZ-OE2 3.38Å; R104-E333 VanDerWaalsContact NE-CD 3.32Å; R104-E333 IonicContact NE-OE1 3.51Å; R104-E333 PolarHBondContact NE-OE1 3.35Å; R104-E333 IonicContact NE-OE2 3.48Å; R104-E333 PolarHBondContact NE-OE2 3.31Å; R104-E333 IonicContact NH2-OE1 3.38Å; R104-E333 IonicContact NH2-OE2 3.47Å; R104-E333 PolarHBondContact NH2-OE2 3.32Å; T277-E333 VanDerWaalsContact CB-OE1 3.31Å; T277-E333 WeakPolarHBondContact CB-OE1 3.35Å; T277-E333 PolarHBondContact OG1-OE1 3.16Å; R293-E333 VanDerWaalsContact CD-CD 3.41Å; R293-E333 WeakPolarHBondContact CD-OE2 3.38Å; R293-E333 HydrophobicContact CG-CG 3.66Å; R293-E333 IonicContact CZ-OE1 3.5Å; R293-E333 IonicContact CZ-OE2 3.48Å; R293-E333 IonicContact NE-OE1 3.3Å; R293-E333 PolarHBondContact NE-OE1 3.05Å; R293-E333 IonicContact NE-OE2 3.87Å; R293-E333 PolarHBondContact NE-OE2 3.41Å; R293-E333 IonicContact NH1-OE2 2.72Å; R293-E333 PolarHBondContact NH1-OE2 3.19Å; M294-E333 CarbonylContact O-C 3.59Å; M294-E333 VanDerWaalsContact O-CA 3.31Å; M294-E333 WeakPolarHBondContact O-CA 3.38Å; R295-E333 HydrophobicContact CB-CB 4.25Å; R295-E333 HydrophobicContact CB-CG 4.49Å; R295-E333 HydrophobicContact CG-CB 4.19Å; D331-E333 PolarHBondContact O-N 3.17Å; D331-E333 WeakPolarHBondContact OD1-CA 3.42Å; D331-E333 WeakPolarHBondContact OD1-CB 3.45Å; D331-E333 PolarHBondContact OD1-N 3.19Å |
| 334 | F | 95.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 158.7 | -179.6 | 57.1 | -91.9 | 0 | 0 | 0 | 111.9 | L268 Y274 R293 M294 E302 W303 G332 | L268-F334 HydrophobicContact CD2-CE2 4.05Å; L268-F334 HydrophobicContact CD2-CZ 3.7Å; Y274-F334 HydrophobicContact CD1-CE1 4.39Å; Y274-F334 HydrophobicContact CD1-CZ 4.35Å; Y274-F334 AromaticContact CE1-CE1 3.99Å; Y274-F334 HydrophobicContact CE1-CE1 3.99Å; Y274-F334 HydrophobicContact CE1-CZ 4.04Å; R293-F334 WeakPolarHBondContact CA-O 3.4Å; M294-F334 HydrophobicContact CB-CE2 4.41Å; M294-F334 HydrophobicContact CB-CZ 4.33Å; M294-F334 HydrophobicContact CE-CD2 4.33Å; M294-F334 HydrophobicContact CE-CE2 3.43Å; M294-F334 VanDerWaalsContact CE-CE2 3.43Å; M294-F334 HydrophobicContact CE-CZ 3.98Å; M294-F334 PolarHBondContact N-O 3.03Å; M294-F334 PolarHBondContact O-N 3.08Å; E302-F334 HydrophobicContact CB-CB 4.39Å; E302-F334 HydrophobicContact CB-CD1 4.05Å; E302-F334 HydrophobicContact CG-CD1 4.06Å; W303-F334 HydrophobicContact CB-CB 4.31Å; W303-F334 HydrophobicContact CB-CD1 4.23Å; W303-F334 HydrophobicContact CB-CD2 3.2Å; W303-F334 HydrophobicContact CB-CE1 4.37Å; W303-F334 HydrophobicContact CB-CE2 3.36Å; W303-F334 HydrophobicContact CB-CG 3.66Å; W303-F334 HydrophobicContact CB-CZ 3.97Å; W303-F334 AromaticContact CG-CD2 3.99Å; W303-F334 HydrophobicContact CG-CD2 3.99Å; W303-F334 HydrophobicContact CG-CE2 4.14Å; G332-F334 WeakPolarHBondContact O-CD1 3.49Å |
| 335 | W | 96.8 | Very high | 91.3 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 147.3 | 169.7 | -67.5 | 90.3 | 0 | 0 | 0 | 111.6 | K280 L291 I292 R293 W307 W314 L325 | K280-W335 HydrophobicContact CB-CH2 3.86Å; K280-W335 HydrophobicContact CB-CZ3 4.02Å; L291-W335 HydrophobicContact CB-CE3 3.61Å; L291-W335 HydrophobicContact CB-CZ3 3.94Å; L291-W335 HydrophobicContact CD1-CE3 4.47Å; I292-W335 VanDerWaalsContact C-CE3 3.5Å; I292-W335 WeakPolarHBondContact O-CA 3.43Å; R293-W335 HydrophobicContact CB-CD2 3.74Å; R293-W335 HydrophobicContact CB-CE3 3.68Å; R293-W335 HydrophobicContact CB-CG 4.46Å; R293-W335 HydrophobicContact CB-CH2 3.85Å; R293-W335 HydrophobicContact CB-CZ2 3.88Å; R293-W335 HydrophobicContact CB-CZ3 3.75Å; R293-W335 HydrophobicContact CG-CD2 4.02Å; R293-W335 HydrophobicContact CG-CE3 4.47Å; R293-W335 HydrophobicContact CG-CG 4.35Å; R293-W335 HydrophobicContact CG-CZ2 4.19Å; W307-W335 CarbonylContact C-O 3.59Å; W307-W335 VanDerWaalsContact C-O 3.29Å; W307-W335 HydrophobicContact CB-CB 4.28Å; W314-W335 HydrophobicContact CH2-CB 4.41Å; W314-W335 HydrophobicContact CH2-CG 4.08Å; W314-W335 HydrophobicContact CZ2-CB 3.87Å; W314-W335 AromaticContact CZ2-CD1 3.76Å; W314-W335 AromaticContact CZ2-CG 3.87Å; W314-W335 HydrophobicContact CZ2-CG 3.87Å; L325-W335 HydrophobicContact CB-CZ2 4.25Å; L325-W335 HydrophobicContact CD2-CH2 4.04Å; L325-W335 HydrophobicContact CD2-CZ2 3.7Å; L325-W335 PolarHBondContact O-NE1 3.01Å |
| 336 | M | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 165.9 | 163.2 | 72 | 175.5 | -5.9 | 0 | 0 | 110.9 | L268 L291 I292 M294 W303 D340 F341 E344 F345 | L268-M336 HydrophobicContact CD1-CE 4.49Å; L291-M336 WeakPolarHBondContact CA-O 3.34Å; I292-M336 HydrophobicContact CG2-CG 3.79Å; I292-M336 PolarHBondContact N-O 3.44Å; I292-M336 PolarHBondContact O-N 3.31Å; M294-M336 HydrophobicContact CE-CE 4.44Å; M294-M336 HydrophobicContact CE-CG 3.66Å; M294-M336 HydrophobicContact CE-SD 3.22Å; M294-M336 WeakPolarHBondContact CE-SD 3.49Å; W303-M336 HydrophobicContact CD2-CE 3.68Å; W303-M336 HydrophobicContact CE3-CE 3.74Å; W303-M336 HydrophobicContact CG-CE 4.39Å; W303-M336 HydrophobicContact CH2-CE 3.52Å; W303-M336 HydrophobicContact CZ2-CE 3.52Å; W303-M336 HydrophobicContact CZ3-CE 3.64Å; M336-D340 HydrophobicContact CE-CB 3.82Å; M336-D340 HydrophobicContact SD-CB 4.41Å; M336-F341 HydrophobicContact CG-CB 4.21Å; M336-F341 WeakPolarHBondContact SD-CA 3.4Å; M336-F341 HydrophobicContact SD-CB 3.7Å; M336-F341 HydrophobicContact SD-CD2 4.48Å; M336-F341 PolarHBondContact SD-N 2.9Å; M336-F341 VanDerWaalsContact SD-N 3.45Å; M336-E344 HydrophobicContact CE-CG 4.36Å; M336-F345 HydrophobicContact SD-CD2 4.36Å; M336-F345 HydrophobicContact SD-CE2 4.06Å |
| 337 | S | 97.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 143.9 | 171.2 | 79.8 | 0 | 0 | 0 | 0 | 110.5 | R339 D340 F341 | S337-R339 PolarHBondContact O-N 3.26Å; S337-R339 VanDerWaalsContact O-N 3.16Å; S337-D340 PolarHBondContact O-N 3.5Å; S337-D340 WeakPolarHBondContact OG-CB 3.28Å; S337-D340 PolarHBondContact OG-N 3.41Å; S337-D340 PolarHBondContact OG-OD2 3.31Å; S337-F341 PolarHBondContact O-N 3.04Å |
| 338 | F | 97.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 13% | 0.127 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.7 | -30 | 175.8 | -175.8 | -112.9 | 0 | 0 | 0 | 112 | L234 Y235 I238 N290 F341 M342 | L234-F338 HydrophobicContact CB-CZ 4.25Å; L234-F338 HydrophobicContact CD2-CZ 4.07Å; L234-F338 HydrophobicContact CG-CZ 4.16Å; Y235-F338 HydrophobicContact CD2-CB 3.99Å; Y235-F338 AromaticContact CD2-CD1 3.97Å; Y235-F338 HydrophobicContact CD2-CD1 3.97Å; Y235-F338 AromaticContact CD2-CD2 3.56Å; Y235-F338 HydrophobicContact CD2-CD2 3.56Å; Y235-F338 HydrophobicContact CD2-CE1 4.35Å; Y235-F338 AromaticContact CD2-CE2 3.97Å; Y235-F338 HydrophobicContact CD2-CE2 3.97Å; Y235-F338 AromaticContact CD2-CG 3.55Å; Y235-F338 HydrophobicContact CD2-CG 3.55Å; Y235-F338 HydrophobicContact CD2-CZ 4.35Å; Y235-F338 HydrophobicContact CE2-CB 4.18Å; Y235-F338 HydrophobicContact CE2-CD2 4.25Å; Y235-F338 HydrophobicContact CE2-CG 4.21Å; Y235-F338 HydrophobicContact CG-CD1 4.32Å; Y235-F338 HydrophobicContact CG-CE1 4.49Å; Y235-F338 HydrophobicContact CG-CG 4.34Å; I238-F338 HydrophobicContact CD1-CE2 3.68Å; I238-F338 HydrophobicContact CD1-CZ 4.38Å; N290-F338 HydrophobicContact CB-CB 3.79Å; N290-F338 WeakPolarHBondContact O-CB 3.49Å; N290-F338 PolarHBondContact O-N 2.82Å; F338-F341 AromaticContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CD1 3.82Å; F338-F341 AromaticContact CE2-CD1 3.68Å; F338-F341 HydrophobicContact CE2-CD1 3.68Å; F338-F341 HydrophobicContact CE2-CE1 4.06Å; F338-F341 WeakPolarHBondContact O-CB 3.41Å; F338-F341 PolarHBondContact O-N 2.85Å; F338-M342 HydrophobicContact CD1-CG 4.21Å; F338-M342 HydrophobicContact CE1-CG 3.84Å; F338-M342 HydrophobicContact CE1-SD 4.21Å; F338-M342 HydrophobicContact CE2-CG 4.29Å; F338-M342 HydrophobicContact CE2-SD 4.35Å; F338-M342 HydrophobicContact CZ-CG 3.89Å; F338-M342 HydrophobicContact CZ-SD 3.8Å; F338-M342 VanDerWaalsContact O-CG 3.22Å; F338-M342 WeakPolarHBondContact O-CG 3.44Å; F338-M342 PolarHBondContact O-N 3.43Å |
| 339 | R | 96.3 | Very high | 94.2 | Very high | 203 Ų | 203 | 41.1 Ų | 41.1 | 77% | 0.766 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -65.5 | -40.6 | 173.8 | -176.6 | -179.1 | 176.2 | -171.7 | -1 | 112.3 | S337 R343 | S337-R339 PolarHBondContact O-N 3.26Å; S337-R339 VanDerWaalsContact O-N 3.16Å; R339-R343 PolarHBondContact O-N 2.96Å |
| 340 | D | 97.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.6 | -41.2 | 175.1 | -64.7 | -44 | 0 | 0 | 0 | 110.5 | W303 M336 S337 M342 R343 E344 | W303-D340 HydrophobicContact CH2-CB 4.42Å; W303-D340 HydrophobicContact CZ2-CB 4.22Å; M336-D340 HydrophobicContact CE-CB 3.82Å; M336-D340 HydrophobicContact SD-CB 4.41Å; S337-D340 PolarHBondContact O-N 3.5Å; S337-D340 WeakPolarHBondContact OG-CB 3.28Å; S337-D340 PolarHBondContact OG-N 3.41Å; S337-D340 PolarHBondContact OG-OD2 3.31Å; D340-M342 PolarHBondContact O-N 3.22Å; D340-R343 PolarHBondContact O-N 2.92Å; D340-R343 IonicContact OD1-CZ 3.11Å; D340-R343 IonicContact OD1-NH1 2.58Å; D340-R343 PolarHBondContact OD1-NH1 3.33Å; D340-R343 IonicContact OD1-NH2 3.99Å; D340-R343 PolarHBondContact OD1-NH2 3.34Å; D340-E344 VanDerWaalsContact O-CG 3.29Å; D340-E344 WeakPolarHBondContact O-CG 3.34Å; D340-E344 PolarHBondContact O-N 2.95Å |
| 341 | F | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -52.8 | -52 | 174 | 170.9 | -107.4 | 0 | 0 | 0 | 112.1 | L227 C250 I292 M294 M336 S337 F338 R343 E344 F345 L348 | L227-F341 HydrophobicContact CD1-CD1 4.24Å; L227-F341 HydrophobicContact CD1-CE1 3.62Å; L227-F341 HydrophobicContact CD1-CE2 4Å; L227-F341 HydrophobicContact CD1-CZ 3.48Å; L227-F341 VanDerWaalsContact CD1-CZ 3.48Å; L227-F341 HydrophobicContact CD2-CE1 3.78Å; L227-F341 HydrophobicContact CD2-CZ 4.13Å; L227-F341 HydrophobicContact CG-CE1 4.38Å; L227-F341 HydrophobicContact CG-CZ 4.46Å; C250-F341 HydrophobicContact CB-CE2 3.88Å; C250-F341 HydrophobicContact CB-CZ 4.19Å; I292-F341 HydrophobicContact CD1-CD1 4.06Å; I292-F341 HydrophobicContact CD1-CD2 4.26Å; I292-F341 HydrophobicContact CD1-CE1 4.07Å; I292-F341 HydrophobicContact CD1-CE2 4.28Å; I292-F341 HydrophobicContact CD1-CG 4.15Å; I292-F341 HydrophobicContact CD1-CZ 4.18Å; I292-F341 HydrophobicContact CG2-CB 3.69Å; I292-F341 HydrophobicContact CG2-CD2 4.37Å; I292-F341 HydrophobicContact CG2-CG 3.99Å; M294-F341 HydrophobicContact CE-CD2 4.32Å; M294-F341 HydrophobicContact SD-CD2 3.69Å; M294-F341 HydrophobicContact SD-CE2 3.91Å; M336-F341 HydrophobicContact CG-CB 4.21Å; M336-F341 WeakPolarHBondContact SD-CA 3.4Å; M336-F341 HydrophobicContact SD-CB 3.7Å; M336-F341 HydrophobicContact SD-CD2 4.48Å; M336-F341 PolarHBondContact SD-N 2.9Å; M336-F341 VanDerWaalsContact SD-N 3.45Å; S337-F341 PolarHBondContact O-N 3.04Å; F338-F341 AromaticContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CD1 3.82Å; F338-F341 AromaticContact CE2-CD1 3.68Å; F338-F341 HydrophobicContact CE2-CD1 3.68Å; F338-F341 HydrophobicContact CE2-CE1 4.06Å; F338-F341 WeakPolarHBondContact O-CB 3.41Å; F338-F341 PolarHBondContact O-N 2.85Å; F341-R343 PolarHBondContact O-N 3.06Å; F341-R343 VanDerWaalsContact O-N 3.14Å; F341-E344 PolarHBondContact O-N 3.47Å; F341-F345 HydrophobicContact CD2-CB 3.97Å; F341-F345 AromaticContact CD2-CD2 3.65Å; F341-F345 HydrophobicContact CD2-CD2 3.65Å; F341-F345 HydrophobicContact CD2-CE2 4.32Å; F341-F345 AromaticContact CD2-CG 3.81Å; F341-F345 HydrophobicContact CD2-CG 3.81Å; F341-F345 HydrophobicContact CE2-CB 3.79Å; F341-F345 HydrophobicContact CE2-CD1 4.23Å; F341-F345 HydrophobicContact CE2-CD2 4.1Å; F341-F345 AromaticContact CE2-CG 3.77Å; F341-F345 HydrophobicContact CE2-CG 3.77Å; F341-F345 HydrophobicContact CZ-CB 4.49Å; F341-F345 WeakPolarHBondContact O-CB 3.46Å; F341-F345 PolarHBondContact O-N 3.09Å; F341-L348 HydrophobicContact CZ-CB 4.39Å; F341-L348 HydrophobicContact CZ-CD1 4.14Å |
| 342 | M | 96.7 | Very high | 95 | Very high | 56 Ų | 56 | 30.9 Ų | 30.9 | 28% | 0.276 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -59.1 | -25.3 | 176.8 | -71.6 | -67.8 | -68.1 | 0 | 0 | 114.1 | L227 A230 L234 F338 D340 | L227-M342 HydrophobicContact CB-SD 4.26Å; L227-M342 HydrophobicContact CD2-SD 3.98Å; L227-M342 WeakPolarHBondContact O-CE 3.44Å; A230-M342 HydrophobicContact CB-CE 3.76Å; A230-M342 HydrophobicContact CB-SD 4.41Å; L234-M342 HydrophobicContact CD2-SD 3.85Å; F338-M342 HydrophobicContact CD1-CG 4.21Å; F338-M342 HydrophobicContact CE1-CG 3.84Å; F338-M342 HydrophobicContact CE1-SD 4.21Å; F338-M342 HydrophobicContact CE2-CG 4.29Å; F338-M342 HydrophobicContact CE2-SD 4.35Å; F338-M342 HydrophobicContact CZ-CG 3.89Å; F338-M342 HydrophobicContact CZ-SD 3.8Å; F338-M342 VanDerWaalsContact O-CG 3.22Å; F338-M342 WeakPolarHBondContact O-CG 3.44Å; F338-M342 PolarHBondContact O-N 3.43Å; D340-M342 PolarHBondContact O-N 3.22Å |
| 343 | R | 96.2 | Very high | 94.4 | Very high | 129 Ų | 129 | 31.3 Ų | 31.3 | 49% | 0.487 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -89.5 | -41.4 | -179.2 | -173.4 | -179.8 | 67.7 | -121.2 | -6.9 | 112.5 | K266 R339 D340 F341 | K266-R343 VanDerWaalsContact NZ-NH2 3.19Å; R339-R343 PolarHBondContact O-N 2.96Å; D340-R343 PolarHBondContact O-N 2.92Å; D340-R343 IonicContact OD1-CZ 3.11Å; D340-R343 IonicContact OD1-NH1 2.58Å; D340-R343 PolarHBondContact OD1-NH1 3.33Å; D340-R343 IonicContact OD1-NH2 3.99Å; D340-R343 PolarHBondContact OD1-NH2 3.34Å; F341-R343 PolarHBondContact O-N 3.06Å; F341-R343 VanDerWaalsContact O-N 3.14Å |
| 344 | E | 96.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 31.4 Ų | 31.4 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -90.3 | -32.9 | -171.8 | -52.4 | -63.5 | 165.2 | 0 | 0 | 112.2 | K266 L268 W303 M336 D340 F341 | K266-E344 IonicContact NZ-OE1 3.92Å; K266-E344 PolarHBondContact NZ-OE1 2.88Å; L268-E344 HydrophobicContact CD1-CB 3.62Å; L268-E344 HydrophobicContact CD1-CG 4.09Å; W303-E344 HydrophobicContact CH2-CG 3.96Å; W303-E344 HydrophobicContact CZ3-CG 4.06Å; M336-E344 HydrophobicContact CE-CG 4.36Å; D340-E344 VanDerWaalsContact O-CG 3.29Å; D340-E344 WeakPolarHBondContact O-CG 3.34Å; D340-E344 PolarHBondContact O-N 2.95Å; F341-E344 PolarHBondContact O-N 3.47Å |
| 345 | F | 97.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | trans | -92.8 | 157.9 | 179.8 | -73.2 | -103.1 | 0 | 0 | 0 | 112.2 | L227 C250 I252 L268 Y274 M294 M336 F341 | L227-F345 HydrophobicContact CD1-CB 3.47Å; L227-F345 VanDerWaalsContact CD1-CB 3.47Å; C250-F345 HydrophobicContact CB-CD1 4Å; C250-F345 HydrophobicContact CB-CE1 4.44Å; I252-F345 HydrophobicContact CD1-CD1 4.43Å; I252-F345 HydrophobicContact CD1-CE1 4.27Å; I252-F345 HydrophobicContact CD1-CE2 4.5Å; I252-F345 HydrophobicContact CD1-CZ 4.3Å; I252-F345 HydrophobicContact CG1-CD1 3.7Å; I252-F345 HydrophobicContact CG1-CE1 3.9Å; I252-F345 HydrophobicContact CG1-CG 4.07Å; I252-F345 HydrophobicContact CG1-CZ 4.4Å; L268-F345 HydrophobicContact CD1-CE2 3.9Å; L268-F345 HydrophobicContact CD1-CZ 4.48Å; L268-F345 HydrophobicContact CD2-CE2 4.16Å; L268-F345 HydrophobicContact CD2-CZ 4.16Å; Y274-F345 AromaticContact CD2-CE1 3.82Å; Y274-F345 HydrophobicContact CD2-CE1 3.82Å; Y274-F345 HydrophobicContact CD2-CZ 4.3Å; Y274-F345 HydrophobicContact CE2-CE1 4.32Å; Y274-F345 HydrophobicContact CG-CE1 4.1Å; Y274-F345 HydrophobicContact CG-CZ 4.4Å; M294-F345 HydrophobicContact CE-CD2 4.37Å; M294-F345 HydrophobicContact CE-CE2 3.54Å; M294-F345 HydrophobicContact CE-CZ 3.74Å; M294-F345 HydrophobicContact SD-CD2 4.27Å; M294-F345 HydrophobicContact SD-CE1 3.97Å; M294-F345 HydrophobicContact SD-CE2 3.7Å; M294-F345 HydrophobicContact SD-CZ 3.52Å; M294-F345 VanDerWaalsContact SD-CZ 3.52Å; M336-F345 HydrophobicContact SD-CD2 4.36Å; M336-F345 HydrophobicContact SD-CE2 4.06Å; F341-F345 HydrophobicContact CD2-CB 3.97Å; F341-F345 AromaticContact CD2-CD2 3.65Å; F341-F345 HydrophobicContact CD2-CD2 3.65Å; F341-F345 HydrophobicContact CD2-CE2 4.32Å; F341-F345 AromaticContact CD2-CG 3.81Å; F341-F345 HydrophobicContact CD2-CG 3.81Å; F341-F345 HydrophobicContact CE2-CB 3.79Å; F341-F345 HydrophobicContact CE2-CD1 4.23Å; F341-F345 HydrophobicContact CE2-CD2 4.1Å; F341-F345 AromaticContact CE2-CG 3.77Å; F341-F345 HydrophobicContact CE2-CG 3.77Å; F341-F345 HydrophobicContact CZ-CB 4.49Å; F341-F345 WeakPolarHBondContact O-CB 3.46Å; F341-F345 PolarHBondContact O-N 3.09Å | ||
| 346 | T | 96.1 | Very high | 90.2 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | trans | -111.1 | -40.6 | -178.3 | -51.4 | 0 | 0 | 0 | 0 | 112.7 | L227 S251 D253 | L227-T346 PolarHBondContact N-O 3.11Å; S251-T346 PolarHBondContact O-N 3.07Å; D253-T346 HydrophobicContact CB-CG2 3.88Å; D253-T346 PolarHBondContact N-OG1 2.95Å; D253-T346 WeakPolarHBondContact OD2-CG2 3.41Å | ||
| 347 | R | 94.8 | Very high | 88.3 | Confident | 85 Ų | 85 | 36.9 Ų | 36.9 | 32% | 0.321 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.7 | -176.4 | -58.3 | -177 | -160.7 | -175.4 | 1.6 | 111.6 | Y225 C250 S251 D253 | Y225-R347 WeakPolarHBondContact O-CA 3.26Å; C250-R347 VanDerWaalsContact CA-O 3.22Å; C250-R347 WeakPolarHBondContact CA-O 3.44Å; C250-R347 VanDerWaalsContact CB-O 3.31Å; C250-R347 WeakPolarHBondContact CB-O 3.5Å; S251-R347 PolarHBondContact N-O 2.99Å; S251-R347 PolarHBondContact O-N 3.16Å; S251-R347 VanDerWaalsContact O-N 3.13Å; D253-R347 IonicContact OD1-CZ 2.66Å; D253-R347 IonicContact OD1-NE 3.56Å; D253-R347 PolarHBondContact OD1-NE 2.85Å; D253-R347 IonicContact OD1-NH2 3.35Å; D253-R347 PolarHBondContact OD1-NH2 3Å; D253-R347 IonicContact OD2-CZ 3.14Å; D253-R347 IonicContact OD2-NE 3.32Å; D253-R347 PolarHBondContact OD2-NE 2.83Å; D253-R347 VanDerWaalsContact OD2-NE 3.13Å; D253-R347 IonicContact OD2-NH2 2.94Å; D253-R347 PolarHBondContact OD2-NH2 3.16Å |
| 348 | L | 95.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.1 | 166.2 | 174.6 | 77 | 0 | 0 | 0 | 108.2 | W224 Y225 L227 L234 I238 G249 C250 V276 F341 I350 | W224-L348 CarbonylContact C-O 3.59Å; W224-L348 WeakPolarHBondContact CA-O 3.43Å; Y225-L348 HydrophobicContact CD2-CD2 4.26Å; Y225-L348 PolarHBondContact N-O 2.77Å; Y225-L348 PolarHBondContact O-N 3.18Å; L227-L348 HydrophobicContact CD2-CB 3.87Å; L234-L348 HydrophobicContact CD1-CD2 3.9Å; L234-L348 HydrophobicContact CD2-CD2 4.42Å; L234-L348 HydrophobicContact CG-CD2 4.48Å; I238-L348 HydrophobicContact CD1-CD2 3.8Å; I238-L348 HydrophobicContact CG1-CD2 3.75Å; G249-L348 CarbonylContact O-C 3.53Å; G249-L348 WeakPolarHBondContact O-CD1 3.43Å; C250-L348 HydrophobicContact CB-CD1 4.35Å; V276-L348 HydrophobicContact CG2-CD1 3.96Å; F341-L348 HydrophobicContact CZ-CB 4.39Å; F341-L348 HydrophobicContact CZ-CD1 4.14Å; L348-I350 HydrophobicContact CD2-CD1 3.96Å; L348-I350 HydrophobicContact CD2-CG1 4.1Å; L348-I350 HydrophobicContact CG-CG1 4.11Å |
| 349 | E | 94.7 | Very high | 84.2 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.5 | 177.7 | -60.5 | 176.9 | -159.1 | 0 | 0 | 108.2 | S209 T210 S211 F214 E223 W224 L248 G249 | S209-E349 PolarHBondContact OG-OE1 3.19Å; S209-E349 PolarHBondContact OG-OE2 2.97Å; T210-E349 WeakPolarHBondContact CB-OE2 3.39Å; T210-E349 PolarHBondContact N-OE2 2.71Å; S211-E349 WeakPolarHBondContact CB-OE2 3.43Å; S211-E349 PolarHBondContact N-OE2 3.25Å; S211-E349 VanDerWaalsContact OG-CD 3.28Å; S211-E349 PolarHBondContact OG-OE2 2.89Å; F214-E349 HydrophobicContact CE2-CB 4.47Å; E223-E349 CarbonylContact O-C 3.54Å; E223-E349 WeakPolarHBondContact O-CA 3.44Å; W224-E349 HydrophobicContact CB-CG 4.27Å; L248-E349 WeakPolarHBondContact CA-O 3.42Å; G249-E349 PolarHBondContact N-O 2.75Å; G249-E349 PolarHBondContact O-N 3.28Å |
| 350 | I | 92.3 | Very high | 81.9 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 119.5 | 179 | -51.8 | -171.8 | 0 | 0 | 0 | 108.4 | T222 E223 Y225 I237 A241 L248 L348 | T222-I350 CarbonylContact C-O 3.57Å; T222-I350 WeakPolarHBondContact CA-O 3.42Å; E223-I350 PolarHBondContact N-O 3.36Å; E223-I350 PolarHBondContact O-N 3.17Å; Y225-I350 HydrophobicContact CD2-CD1 4.25Å; Y225-I350 HydrophobicContact CD2-CG1 4.44Å; Y225-I350 HydrophobicContact CE2-CD1 3.79Å; Y225-I350 HydrophobicContact CE2-CG1 4.24Å; I237-I350 HydrophobicContact CG2-CD1 4.01Å; A241-I350 HydrophobicContact CB-CD1 4.33Å; A241-I350 HydrophobicContact CB-CG2 3.82Å; L248-I350 HydrophobicContact CD1-CG2 4.38Å; L248-I350 HydrophobicContact CD2-CD1 4.45Å; L248-I350 HydrophobicContact CD2-CG1 4.42Å; L248-I350 HydrophobicContact CG-CG1 4.15Å; L248-I350 HydrophobicContact CG-CG2 4.27Å; L348-I350 HydrophobicContact CD2-CD1 3.96Å; L348-I350 HydrophobicContact CD2-CG1 4.1Å; L348-I350 HydrophobicContact CG-CG1 4.11Å |
| 351 | C | 92.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 108.2 | 173 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | F214 T218 V221 T222 S246 L247 | F214-C351 HydrophobicContact CB-CB 3.46Å; F214-C351 VanDerWaalsContact CB-CB 3.46Å; F214-C351 HydrophobicContact CD2-CB 3.82Å; F214-C351 HydrophobicContact CG-CB 3.84Å; T218-C351 PolarHBondContact OG1-SG 2.71Å; V221-C351 CarbonylContact O-C 3.57Å; V221-C351 WeakPolarHBondContact O-CA 3.27Å; T222-C351 HydrophobicContact CG2-CB 3.83Å; S246-C351 WeakPolarHBondContact CA-O 3.39Å; S246-C351 VanDerWaalsContact CB-O 3.27Å; S246-C351 WeakPolarHBondContact CB-O 3.38Å; L247-C351 HydrophobicContact CB-CB 4.18Å; L247-C351 PolarHBondContact N-O 3.43Å; L247-C351 PolarHBondContact O-N 3.17Å |
| 352 | N | 82.6 | Confident | 76.8 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 11% | 0.107 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 133.5 | 173.8 | -69.4 | -49.7 | 0 | 0 | 0 | 110.4 | G220 V221 E223 | G220-N352 CarbonylContact C-O 3.56Å; G220-N352 WeakPolarHBondContact CA-O 3.49Å; V221-N352 HydrophobicContact CG1-CB 4.1Å; V221-N352 PolarHBondContact N-O 2.86Å; V221-N352 PolarHBondContact O-N 2.94Å; E223-N352 PolarHBondContact OE1-ND2 3.29Å |
| 353 | L | 78.9 | Confident | 74.7 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 144.6 | -175.1 | -57.2 | 177 | 0 | 0 | 0 | 112.2 | L130 T218 G245 A357 L358 | L130-L353 HydrophobicContact CD1-CD1 3.74Å; L130-L353 HydrophobicContact CD1-CD2 3.52Å; L130-L353 HydrophobicContact CD1-CG 4.27Å; L130-L353 HydrophobicContact CD2-CD1 4.36Å; L130-L353 HydrophobicContact CD2-CD2 4.28Å; L130-L353 HydrophobicContact CG-CD1 4.48Å; T218-L353 HydrophobicContact CG2-CD2 3.85Å; G245-L353 WeakPolarHBondContact O-CD1 3.47Å; L353-A357 HydrophobicContact CB-CB 3.94Å; L353-A357 HydrophobicContact CD2-CB 4.43Å; L353-L358 HydrophobicContact CB-CD1 4.43Å; L353-L358 HydrophobicContact CB-CD2 4.17Å; L353-L358 HydrophobicContact CB-CG 4.05Å; L353-L358 HydrophobicContact CD1-CD2 3.74Å; L353-L358 HydrophobicContact CD1-CG 4.42Å |
| 354 | T | 70.9 | Confident | 73 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 161.6 | 170.8 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | G219 D356 A357 L358 F514 | G219-T354 WeakPolarHBondContact O-CG2 3.31Å; T354-D356 WeakPolarHBondContact CB-OD1 3.4Å; T354-D356 PolarHBondContact O-N 2.85Å; T354-D356 VanDerWaalsContact O-N 3.17Å; T354-D356 PolarHBondContact OG1-OD1 2.85Å; T354-A357 WeakPolarHBondContact O-CB 3.48Å; T354-A357 PolarHBondContact O-N 2.83Å; T354-L358 PolarHBondContact O-N 2.79Å; T354-F514 HydrophobicContact CG2-CE1 3.87Å |
| 355 | P | 62.1 | Low | 71.5 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30.7 | 179 | -28.5 | 36.3 | 0 | 0 | 0 | 115.6 | L358 K365 W366 | P355-L358 PolarHBondContact O-N 2.94Å; P355-K365 HydrophobicContact CB-CB 4.23Å; P355-K365 HydrophobicContact CB-CD 4.14Å; P355-K365 HydrophobicContact CB-CG 4.25Å; P355-K365 HydrophobicContact CG-CB 4.15Å; P355-W366 WeakPolarHBondContact CG-O 3.32Å |
| 356 | D | 63.9 | Low | 70.3 | Confident | 88 Ų | 88 | 58.9 Ų | 58.9 | 47% | 0.471 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -24.5 | 178.8 | 62.6 | -60.7 | 0 | 0 | 0 | 112.6 | R133 T354 L358 | R133-D356 IonicContact CZ-OD2 2.85Å; R133-D356 VanDerWaalsContact CZ-OD2 3.3Å; R133-D356 IonicContact NH1-OD2 3.98Å; R133-D356 PolarHBondContact NH1-OD2 3.4Å; R133-D356 IonicContact NH2-OD2 3.57Å; R133-D356 PolarHBondContact NH2-OD2 3.45Å; T354-D356 WeakPolarHBondContact CB-OD1 3.4Å; T354-D356 PolarHBondContact O-N 2.85Å; T354-D356 VanDerWaalsContact O-N 3.17Å; T354-D356 PolarHBondContact OG1-OD1 2.85Å; D356-L358 VanDerWaalsContact C-N 3.31Å |
| 357 | A | 57.1 | Low | 69.6 | Low | 5 Ų | 5 | 61.7 Ų | 61.7 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -19.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L130 R133 L353 T354 | L130-A357 HydrophobicContact CD2-CB 3.67Å; R133-A357 VanDerWaalsContact NH1-CA 3.33Å; L353-A357 HydrophobicContact CB-CB 3.94Å; L353-A357 HydrophobicContact CD2-CB 4.43Å; T354-A357 WeakPolarHBondContact O-CB 3.48Å; T354-A357 PolarHBondContact O-N 2.83Å |
| 358 | L | 58.7 | Low | 69.3 | Low | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | trans | -101.6 | 104.5 | -178.2 | -65.3 | 169.4 | 0 | 0 | 0 | 111.7 | L353 T354 P355 D356 S360 I363 | L353-L358 HydrophobicContact CB-CD1 4.43Å; L353-L358 HydrophobicContact CB-CD2 4.17Å; L353-L358 HydrophobicContact CB-CG 4.05Å; L353-L358 HydrophobicContact CD1-CD2 3.74Å; L353-L358 HydrophobicContact CD1-CG 4.42Å; T354-L358 PolarHBondContact O-N 2.79Å; P355-L358 PolarHBondContact O-N 2.94Å; D356-L358 VanDerWaalsContact C-N 3.31Å; L358-S360 VanDerWaalsContact C-N 3.34Å; L358-I363 HydrophobicContact CD1-CB 4.49Å; L358-I363 HydrophobicContact CD1-CG2 3.84Å; L358-I363 HydrophobicContact CD2-CD1 3.87Å; L358-I363 HydrophobicContact CD2-CG2 4.5Å | ||
| 359 | K | 51.3 | Low | 69.1 | Low | 176 Ų | 176 | 62.3 Ų | 62.3 | 77% | 0.765 | 30% | 0.302 | S | S | * | . | trans | -74.1 | -20.4 | 175.4 | -70.9 | -175.8 | -178.2 | 171.2 | 0 | 113.9 | T129 | T129-K359 HydrophobicContact CG2-CD 3.79Å; T129-K359 HydrophobicContact CG2-CG 4.18Å | ||
| 360 | S | 47.3 | Very low | 69 | Low | 49 Ų | 49 | 64.4 Ų | 64.4 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | trans | -82.2 | 133.7 | -175.5 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | L358 T362 | L358-S360 VanDerWaalsContact C-N 3.34Å; S360-T362 VanDerWaalsContact C-N 3.27Å; S360-T362 PolarHBondContact O-N 3.18Å; S360-T362 PolarHBondContact OG-N 3.35Å; S360-T362 PolarHBondContact OG-OG1 3.09Å | ||
| 361 | R | 46.2 | Very low | 69.1 | Low | 244 Ų | 244 | 66.3 Ų | 66.3 | 92% | 0.921 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13.5 | 173.3 | -72.9 | -176.2 | 175.5 | 178.6 | -1.6 | 113.8 | I363 | R361-I363 VanDerWaalsContact C-N 3.28Å; R361-I363 PolarHBondContact O-N 3.46Å |
| 362 | T | 41.6 | Very low | 69.1 | Low | 129 Ų | 129 | 69.2 Ų | 69.2 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -5.1 | -176.9 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | S360 | S360-T362 VanDerWaalsContact C-N 3.27Å; S360-T362 PolarHBondContact O-N 3.18Å; S360-T362 PolarHBondContact OG-N 3.35Å; S360-T362 PolarHBondContact OG-OG1 3.09Å |
| 363 | I | 53.4 | Low | 69.6 | Low | 43 Ų | 43 | 68.5 Ų | 68.5 | 22% | 0.221 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -104.2 | 129.7 | -170.8 | -54.2 | 174 | 0 | 0 | 0 | 109.3 | L358 R361 K365 | L358-I363 HydrophobicContact CD1-CB 4.49Å; L358-I363 HydrophobicContact CD1-CG2 3.84Å; L358-I363 HydrophobicContact CD2-CD1 3.87Å; L358-I363 HydrophobicContact CD2-CG2 4.5Å; R361-I363 VanDerWaalsContact C-N 3.28Å; R361-I363 PolarHBondContact O-N 3.46Å; I363-K365 PolarHBondContact O-N 2.89Å |
| 364 | R | 58.7 | Low | 70.4 | Confident | 150 Ų | 150 | 69.3 Ų | 69.3 | 57% | 0.566 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 119.8 | 172.5 | -75.6 | -170.2 | 175.6 | 179.5 | 0.5 | 108.8 | D406 E516 | R364-D406 IonicContact CZ-OD2 2.79Å; R364-D406 VanDerWaalsContact CZ-OD2 3.3Å; R364-D406 IonicContact NH1-OD2 3.26Å; R364-D406 IonicContact NH2-OD2 3.75Å; R364-D406 PolarHBondContact NH2-OD2 3.24Å; R364-E516 IonicContact CZ-OE1 3.57Å; R364-E516 IonicContact NH1-OE1 3.3Å; R364-E516 PolarHBondContact NH1-OE1 2.89Å |
| 365 | K | 65.4 | Low | 71.5 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 131.9 | -178 | -69.8 | 179.9 | 172.2 | -160.7 | 0 | 109.8 | P355 I363 | P355-K365 HydrophobicContact CB-CB 4.23Å; P355-K365 HydrophobicContact CB-CD 4.14Å; P355-K365 HydrophobicContact CB-CG 4.25Å; P355-K365 HydrophobicContact CG-CB 4.15Å; I363-K365 PolarHBondContact O-N 2.89Å |
| 366 | W | 72.6 | Confident | 72.8 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 132.6 | 169.2 | -70.9 | 97.2 | 0 | 0 | 0 | 110.4 | P355 T368 R486 F514 E516 | P355-W366 WeakPolarHBondContact CG-O 3.32Å; W366-T368 PolarHBondContact O-N 2.86Å; W366-T368 PolarHBondContact O-OG1 2.86Å; W366-R486 VanDerWaalsContact CH2-NH1 3.29Å; W366-F514 HydrophobicContact CB-CD1 4.36Å; W366-F514 HydrophobicContact CD2-CB 4.34Å; W366-F514 HydrophobicContact CE3-CB 3.91Å; W366-E516 HydrophobicContact CZ3-CB 4.22Å |
| 367 | N | 81.4 | Confident | 74.1 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 125.3 | 164.1 | -65.5 | -75.2 | 0 | 0 | 0 | 107.7 | F514 S515 E516 K517 S518 | N367-F514 CarbonylContact O-C 3.43Å; N367-F514 VanDerWaalsContact O-CA 3.27Å; N367-F514 WeakPolarHBondContact O-CA 3.16Å; N367-S515 PolarHBondContact N-O 2.91Å; N367-S515 PolarHBondContact O-N 3.46Å; N367-E516 PolarHBondContact ND2-O 3.34Å; N367-K517 PolarHBondContact ND2-O 3.1Å; N367-S518 PolarHBondContact ND2-N 2.79Å |
| 368 | T | 87.2 | Confident | 75.3 | Confident | 54 Ų | 54 | 72.4 Ų | 72.4 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.7 | -173.4 | -51.2 | 0 | 0 | 0 | 0 | 110.5 | W366 F513 F514 | W366-T368 PolarHBondContact O-N 2.86Å; W366-T368 PolarHBondContact O-OG1 2.86Å; T368-F513 VanDerWaalsContact CA-O 3.29Å; T368-F513 WeakPolarHBondContact CA-O 3.36Å; T368-F514 HydrophobicContact CG2-CD1 3.85Å; T368-F514 HydrophobicContact CG2-CE1 3.47Å; T368-F514 VanDerWaalsContact CG2-CE1 3.47Å; T368-F514 HydrophobicContact CG2-CZ 3.85Å; T368-F514 WeakPolarHBondContact OG1-CD1 3.5Å |
| 369 | T | 91.1 | Very high | 76.6 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149.2 | 168.4 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | R512 F513 T521 | T369-R512 WeakPolarHBondContact O-CA 3.33Å; T369-F513 PolarHBondContact N-O 3.37Å; T369-F513 PolarHBondContact O-N 3.38Å; T369-T521 VanDerWaalsContact CB-OG1 3.31Å; T369-T521 WeakPolarHBondContact CB-OG1 3.21Å; T369-T521 WeakPolarHBondContact CG2-OG1 3.41Å; T369-T521 WeakPolarHBondContact OG1-CG2 3.48Å; T369-T521 PolarHBondContact OG1-OG1 2.91Å |
| 370 | L | 93 | Very high | 78.5 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 29% | 0.293 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 130.1 | -172 | -177.7 | 150.7 | 0 | 0 | 0 | 110 | W154 G157 E372 V510 L511 R512 | W154-L370 HydrophobicContact CZ2-CD1 4.42Å; G157-L370 VanDerWaalsContact CA-CD1 3.44Å; L370-E372 HydrophobicContact CD2-CG 4.32Å; L370-V510 HydrophobicContact CD1-CG1 3.57Å; L370-V510 HydrophobicContact CD2-CG1 3.73Å; L370-V510 HydrophobicContact CG-CG1 3.4Å; L370-V510 VanDerWaalsContact CG-CG1 3.4Å; L370-L511 WeakPolarHBondContact CA-O 3.33Å; L370-R512 HydrophobicContact CD1-CG 4Å; L370-R512 HydrophobicContact CG-CG 4.14Å |
| 371 | Y | 94.6 | Very high | 80.7 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.4 | 175 | -63.6 | -85.7 | 0 | 0 | 0 | 110.7 | F397 V510 L511 F513 T521 A522 E523 | Y371-F397 HydrophobicContact CD1-CD1 4.06Å; Y371-F397 AromaticContact CD1-CE1 3.94Å; Y371-F397 HydrophobicContact CD1-CE1 3.94Å; Y371-F397 AromaticContact CD2-CD1 3.96Å; Y371-F397 HydrophobicContact CD2-CD1 3.96Å; Y371-F397 HydrophobicContact CD2-CE1 4.29Å; Y371-F397 AromaticContact CG-CD1 3.7Å; Y371-F397 HydrophobicContact CG-CD1 3.7Å; Y371-F397 AromaticContact CG-CE1 3.61Å; Y371-F397 HydrophobicContact CG-CE1 3.61Å; Y371-V510 CarbonylContact O-C 3.6Å; Y371-V510 WeakPolarHBondContact O-CA 3.41Å; Y371-L511 PolarHBondContact N-O 2.86Å; Y371-L511 PolarHBondContact O-N 2.66Å; Y371-F513 HydrophobicContact CD2-CD2 4.05Å; Y371-F513 AromaticContact CD2-CE2 3.73Å; Y371-F513 HydrophobicContact CD2-CE2 3.73Å; Y371-F513 AromaticContact CE2-CD2 3.99Å; Y371-F513 HydrophobicContact CE2-CD2 3.99Å; Y371-F513 AromaticContact CE2-CE2 3.81Å; Y371-F513 HydrophobicContact CE2-CE2 3.81Å; Y371-T521 WeakPolarHBondContact OH-CB 3.21Å; Y371-T521 PolarHBondContact OH-O 3.15Å; Y371-T521 PolarHBondContact OH-OG1 3.49Å; Y371-A522 WeakPolarHBondContact OH-CA 3.31Å; Y371-A522 PolarHBondContact OH-N 3.14Å; Y371-E523 HydrophobicContact CD1-CB 4.24Å; Y371-E523 HydrophobicContact CE1-CB 4.27Å |
| 372 | E | 93.4 | Very high | 83.1 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 29% | 0.29 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 137.6 | 168.7 | -67.3 | -168.3 | -132.1 | 0 | 0 | 110 | K24 L370 K426 | K24-E372 IonicContact NZ-OE1 2.66Å; K24-E372 PolarHBondContact NZ-OE1 3.24Å; L370-E372 HydrophobicContact CD2-CG 4.32Å; E372-K426 IonicContact OE2-NZ 3.61Å; E372-K426 PolarHBondContact OE2-NZ 3.02Å |
| 373 | G | 93.3 | Very high | 85.7 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 167.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | F509 | G373-F509 VanDerWaalsContact C-CD1 3.44Å; G373-F509 PolarHBondContact N-O 2.89Å; G373-F509 PolarHBondContact O-N 2.74Å |
| 374 | T | 94.2 | Very high | 87.8 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 15% | 0.153 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 138.5 | -173.8 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | T380 P395 D508 F509 E657 | T374-T380 WeakPolarHBondContact O-CB 3.42Å; T374-T380 PolarHBondContact O-OG1 2.92Å; T374-T380 VanDerWaalsContact O-OG1 3.11Å; T374-P395 WeakPolarHBondContact O-CG 3.47Å; T374-D508 WeakPolarHBondContact CG2-OD1 3.47Å; T374-F509 VanDerWaalsContact N-CE1 3.32Å; T374-E657 PolarHBondContact OG1-OE1 3.01Å; T374-E657 PolarHBondContact OG1-OE2 3.1Å |
| 375 | W | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.8 | 160.5 | -57 | -62.8 | 0 | 0 | 0 | 107.1 | A381 L423 I441 P498 T500 K505 E506 G507 F509 | W375-A381 HydrophobicContact CB-CB 4.07Å; W375-L423 HydrophobicContact CH2-CD1 4.12Å; W375-L423 HydrophobicContact CH2-CD2 4.19Å; W375-L423 HydrophobicContact CH2-CG 4.42Å; W375-L423 HydrophobicContact CZ2-CD1 4.25Å; W375-L423 HydrophobicContact CZ2-CD2 4.22Å; W375-I441 HydrophobicContact CH2-CB 4.44Å; W375-I441 HydrophobicContact CH2-CG2 3.84Å; W375-I441 HydrophobicContact CZ3-CG2 3.96Å; W375-P498 HydrophobicContact CZ2-CB 4.23Å; W375-P498 PolarHBondContact NE1-O 2.85Å; W375-P498 VanDerWaalsContact NE1-O 3.16Å; W375-T500 HydrophobicContact CD2-CG2 4.12Å; W375-T500 HydrophobicContact CE3-CG2 3.84Å; W375-T500 HydrophobicContact CZ3-CG2 4.07Å; W375-K505 WeakPolarHBondContact CB-O 3.49Å; W375-E506 VanDerWaalsContact O-CA 3.31Å; W375-E506 WeakPolarHBondContact O-CA 3.24Å; W375-G507 PolarHBondContact N-O 3.35Å; W375-G507 PolarHBondContact O-N 2.94Å; W375-F509 AromaticContact CD2-CD1 3.62Å; W375-F509 HydrophobicContact CD2-CD1 3.62Å; W375-F509 AromaticContact CD2-CE1 3.93Å; W375-F509 HydrophobicContact CD2-CE1 3.93Å; W375-F509 AromaticContact CE2-CD1 3.44Å; W375-F509 VanDerWaalsContact CE2-CD1 3.44Å; W375-F509 AromaticContact CE2-CE1 3.52Å; W375-F509 HydrophobicContact CE3-CB 4.5Å; W375-F509 AromaticContact CE3-CD1 3.79Å; W375-F509 HydrophobicContact CE3-CD1 3.79Å; W375-F509 HydrophobicContact CG-CD1 4.32Å; W375-F509 HydrophobicContact CG-CE1 4.26Å; W375-F509 HydrophobicContact CH2-CB 3.71Å; W375-F509 AromaticContact CH2-CD1 3.7Å; W375-F509 HydrophobicContact CH2-CD1 3.7Å; W375-F509 HydrophobicContact CH2-CE1 4.49Å; W375-F509 AromaticContact CH2-CG 3.83Å; W375-F509 HydrophobicContact CH2-CG 3.83Å; W375-F509 HydrophobicContact CZ2-CB 4.31Å; W375-F509 AromaticContact CZ2-CD1 3.5Å; W375-F509 HydrophobicContact CZ2-CD1 3.5Å; W375-F509 AromaticContact CZ2-CE1 3.85Å; W375-F509 HydrophobicContact CZ2-CE1 3.85Å; W375-F509 AromaticContact CZ2-CG 3.92Å; W375-F509 HydrophobicContact CZ2-CG 3.92Å; W375-F509 HydrophobicContact CZ3-CB 3.82Å; W375-F509 AromaticContact CZ3-CD1 3.84Å; W375-F509 HydrophobicContact CZ3-CD1 3.84Å; W375-F509 HydrophobicContact CZ3-CG 4.17Å; W375-F509 AromaticContact NE1-CE1 3.6Å |
| 376 | R | 90.9 | Very high | 91.1 | Very high | 72 Ų | 72 | 38.8 Ų | 38.8 | 27% | 0.272 | 19% | 0.186 | S | C | . | . | trans | -123.1 | 135.6 | 178.2 | -65 | -63.1 | -178.6 | -94.2 | 0.7 | 110 | G378 S379 T380 A381 G507 D508 E657 | R376-G378 PolarHBondContact O-N 3.24Å; R376-S379 PolarHBondContact O-N 2.96Å; R376-S379 VanDerWaalsContact O-N 3.12Å; R376-T380 PolarHBondContact N-OG1 2.93Å; R376-T380 PolarHBondContact O-N 2.89Å; R376-T380 VanDerWaalsContact O-N 3.08Å; R376-A381 VanDerWaalsContact O-CB 3.23Å; R376-A381 WeakPolarHBondContact O-CB 3.32Å; R376-A381 PolarHBondContact O-N 2.8Å; R376-G507 PolarHBondContact NH1-O 3.05Å; R376-D508 IonicContact CZ-OD1 3.57Å; R376-D508 IonicContact NH1-OD1 2.72Å; R376-D508 PolarHBondContact NH1-OD1 2.7Å; R376-D508 IonicContact NH2-OD1 2.61Å; R376-D508 PolarHBondContact NH2-OD1 2.74Å; R376-D508 IonicContact NH2-OD2 3.79Å; R376-E657 HydrophobicContact CB-CG 4.19Å; R376-E657 HydrophobicContact CG-CG 4.01Å; R376-E657 WeakPolarHBondContact CG-OE1 3.43Å | ||
| 377 | R | 89.2 | Confident | 92.2 | Very high | 130 Ų | 130 | 41 Ų | 41 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 135.6 | -177.4 | -161.8 | -177.5 | 164.6 | -177.3 | -5.9 | 110.1 | S379 N504 E506 L668 | R377-S379 PolarHBondContact O-N 3.28Å; R377-S379 VanDerWaalsContact O-N 3.13Å; R377-N504 HydrophobicContact CG-CB 3.79Å; R377-N504 WeakPolarHBondContact CG-OD1 3.21Å; R377-E506 HydrophobicContact CB-CG 3.87Å; R377-E506 WeakPolarHBondContact CB-OE1 3.44Å; R377-E506 PolarHBondContact N-OE1 2.98Å; R377-E506 VanDerWaalsContact N-OE1 3.14Å; R377-L668 HydrophobicContact CB-CD1 4.2Å; R377-L668 HydrophobicContact CG-CD1 3.54Å |
| 378 | G | 82.5 | Confident | 92.8 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -21.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R376 A637 Y638 | R376-G378 PolarHBondContact O-N 3.24Å; G378-A637 VanDerWaalsContact C-CB 3.49Å; G378-A637 CarbonylContact O-C 3.56Å; G378-A637 WeakPolarHBondContact O-CB 3.42Å; G378-Y638 WeakPolarHBondContact O-CE1 3.33Å |
| 379 | S | 86.5 | Confident | 92.9 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -76.4 | -178.7 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | R376 R377 V393 | R376-S379 PolarHBondContact O-N 2.96Å; R376-S379 VanDerWaalsContact O-N 3.12Å; R377-S379 PolarHBondContact O-N 3.28Å; R377-S379 VanDerWaalsContact O-N 3.13Å; S379-V393 WeakPolarHBondContact O-CG2 3.27Å |
| 380 | T | 92 | Very high | 93 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -8.4 | -170.5 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | T374 R376 G382 N394 K653 E657 | T374-T380 WeakPolarHBondContact O-CB 3.42Å; T374-T380 PolarHBondContact O-OG1 2.92Å; T374-T380 VanDerWaalsContact O-OG1 3.11Å; R376-T380 PolarHBondContact N-OG1 2.93Å; R376-T380 PolarHBondContact O-N 2.89Å; R376-T380 VanDerWaalsContact O-N 3.08Å; T380-G382 VanDerWaalsContact C-N 3.33Å; T380-G382 PolarHBondContact O-N 2.87Å; T380-N394 WeakPolarHBondContact O-CA 3.23Å; T380-N394 PolarHBondContact O-OD1 2.98Å; T380-K653 HydrophobicContact CG2-CB 4.26Å; T380-E657 HydrophobicContact CG2-CG 4.17Å; T380-E657 WeakPolarHBondContact CG2-OE1 3.27Å; T380-E657 PolarHBondContact OG1-OE1 3.14Å |
| 381 | A | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -81.2 | 71.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W375 R376 N504 K505 | W375-A381 HydrophobicContact CB-CB 4.07Å; R376-A381 VanDerWaalsContact O-CB 3.23Å; R376-A381 WeakPolarHBondContact O-CB 3.32Å; R376-A381 PolarHBondContact O-N 2.8Å; A381-N504 PolarHBondContact O-N 2.8Å; A381-K505 VanDerWaalsContact CB-O 3.3Å; A381-K505 WeakPolarHBondContact CB-O 3.48Å | ||
| 382 | G | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -80.7 | -16.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | T380 T390 F391 N394 | T380-G382 VanDerWaalsContact C-N 3.33Å; T380-G382 PolarHBondContact O-N 2.87Å; G382-T390 VanDerWaalsContact CA-O 3.24Å; G382-T390 WeakPolarHBondContact CA-O 3.3Å; G382-T390 CarbonylContact O-C 3.58Å; G382-T390 VanDerWaalsContact O-CB 3.3Å; G382-T390 WeakPolarHBondContact O-CB 3.45Å; G382-T390 PolarHBondContact O-OG1 3.4Å; G382-F391 PolarHBondContact O-N 2.87Å; G382-N394 PolarHBondContact N-OD1 3Å; G382-N394 VanDerWaalsContact N-OD1 3.12Å | ||
| 383 | G | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | 71 | -177.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F391 N394 S499 T500 | G383-F391 WeakPolarHBondContact O-CD2 3.47Å; G383-N394 PolarHBondContact O-ND2 2.78Å; G383-S499 WeakPolarHBondContact O-CB 3.45Å; G383-T500 CarbonylContact C-O 3.57Å; G383-T500 VanDerWaalsContact C-O 3.23Å; G383-T500 WeakPolarHBondContact CA-O 3.41Å | ||
| 384 | C | 97.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.027 | 16% | 0.163 | C | C | . | . | trans | -82.5 | 179.9 | -175.7 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | N386 Y387 F477 T500 F501 | C384-N386 PolarHBondContact O-N 3.02Å; C384-Y387 PolarHBondContact O-N 2.91Å; C384-F477 HydrophobicContact CB-CD1 4.44Å; C384-F477 HydrophobicContact CB-CE1 3.69Å; C384-F477 HydrophobicContact CB-CE2 4.18Å; C384-F477 HydrophobicContact CB-CZ 3.55Å; C384-T500 PolarHBondContact N-O 3.16Å; C384-F501 PolarHBondContact N-O 3.02Å; C384-F501 PolarHBondContact SG-O 3.1Å | ||
| 385 | R | 96.2 | Very high | 93.3 | Very high | 79 Ų | 79 | 31.6 Ų | 31.6 | 30% | 0.298 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17.4 | -176.6 | -174.4 | 57.9 | -175.7 | 78 | 1.6 | 114.6 | Y387 F391 Y446 F465 | R385-Y387 PolarHBondContact O-N 3.11Å; R385-F391 HydrophobicContact CB-CD2 4.4Å; R385-F391 HydrophobicContact CB-CE2 4.35Å; R385-F391 HydrophobicContact CB-CZ 4.43Å; R385-Y446 VanDerWaalsContact CD-OH 3.28Å; R385-Y446 WeakPolarHBondContact CD-OH 3.32Å; R385-F465 VanDerWaalsContact CZ-O 3.25Å; R385-F465 PolarHBondContact NE-O 3.1Å; R385-F465 VanDerWaalsContact NE-O 3.16Å; R385-F465 PolarHBondContact NH2-O 2.87Å |
| 386 | N | 96.3 | Very high | 93.3 | Very high | 115 Ų | 115 | 31.6 Ų | 31.6 | 62% | 0.615 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.2 | 172.8 | -63 | -13.2 | 0 | 0 | 0 | 112.8 | C384 P388 | C384-N386 PolarHBondContact O-N 3.02Å; N386-P388 WeakPolarHBondContact O-CD 3.41Å |
| 387 | Y | 95.9 | Very high | 93.5 | Very high | 81 Ų | 81 | 28.2 Ų | 28.2 | 32% | 0.318 | 14% | 0.144 | S | C | . | . | trans | -112.3 | 67.7 | 177.8 | -57.9 | -84.5 | 0 | 0 | 0 | 110.3 | C384 R385 A389 T390 F391 F501 P503 | C384-Y387 PolarHBondContact O-N 2.91Å; R385-Y387 PolarHBondContact O-N 3.11Å; Y387-A389 PolarHBondContact O-N 2.82Å; Y387-A389 VanDerWaalsContact O-N 3.08Å; Y387-T390 PolarHBondContact O-N 2.89Å; Y387-T390 PolarHBondContact O-OG1 2.86Å; Y387-F391 WeakPolarHBondContact O-CB 3.26Å; Y387-F391 PolarHBondContact O-N 3.31Å; Y387-F501 VanDerWaalsContact CE2-O 3.23Å; Y387-F501 WeakPolarHBondContact CE2-O 3.26Å; Y387-P503 HydrophobicContact CD1-CG 4.01Å; Y387-P503 HydrophobicContact CE1-CG 4.26Å; Y387-P503 HydrophobicContact CG-CG 4.18Å | ||
| 388 | P | 94.2 | Very high | 93.8 | Very high | 53 Ų | 53 | 23.5 Ų | 23.5 | 34% | 0.344 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.2 | -24.4 | -171.9 | 24.5 | -34.8 | 0 | 0 | 0 | 114.1 | N386 T390 L466 | N386-P388 WeakPolarHBondContact O-CD 3.41Å; P388-T390 PolarHBondContact O-N 2.69Å; P388-L466 HydrophobicContact CB-CD2 3.79Å |
| 389 | A | 90.2 | Very high | 94.3 | Very high | 69 Ų | 69 | 23.4 Ų | 23.4 | 57% | 0.57 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -60.2 | -33.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y387 W392 | Y387-A389 PolarHBondContact O-N 2.82Å; Y387-A389 VanDerWaalsContact O-N 3.08Å; A389-W392 PolarHBondContact O-NE1 3.34Å |
| 390 | T | 92.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 12% | 0.117 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -123.6 | -18.4 | -171.6 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | G382 Y387 P388 W392 V393 Y638 | G382-T390 VanDerWaalsContact CA-O 3.24Å; G382-T390 WeakPolarHBondContact CA-O 3.3Å; G382-T390 CarbonylContact O-C 3.58Å; G382-T390 VanDerWaalsContact O-CB 3.3Å; G382-T390 WeakPolarHBondContact O-CB 3.45Å; G382-T390 PolarHBondContact O-OG1 3.4Å; Y387-T390 PolarHBondContact O-N 2.89Å; Y387-T390 PolarHBondContact O-OG1 2.86Å; P388-T390 PolarHBondContact O-N 2.69Å; T390-W392 PolarHBondContact O-N 3.14Å; T390-V393 WeakPolarHBondContact O-CG2 3.3Å; T390-V393 PolarHBondContact O-N 3.44Å; T390-Y638 HydrophobicContact CG2-CD2 3.94Å; T390-Y638 HydrophobicContact CG2-CE1 4.23Å; T390-Y638 HydrophobicContact CG2-CE2 3.45Å; T390-Y638 VanDerWaalsContact CG2-CE2 3.45Å |
| 391 | F | 96.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -50 | -39.8 | -177.6 | 175.7 | -110.2 | 0 | 0 | 0 | 113.8 | G382 G383 R385 Y387 V393 N394 A444 Y446 F465 V497 | G382-F391 PolarHBondContact O-N 2.87Å; G383-F391 WeakPolarHBondContact O-CD2 3.47Å; R385-F391 HydrophobicContact CB-CD2 4.4Å; R385-F391 HydrophobicContact CB-CE2 4.35Å; R385-F391 HydrophobicContact CB-CZ 4.43Å; Y387-F391 WeakPolarHBondContact O-CB 3.26Å; Y387-F391 PolarHBondContact O-N 3.31Å; F391-V393 PolarHBondContact O-N 2.88Å; F391-V393 VanDerWaalsContact O-N 3.16Å; F391-N394 PolarHBondContact O-N 3.18Å; F391-N394 PolarHBondContact O-ND2 2.61Å; F391-A444 HydrophobicContact CZ-CB 4.28Å; F391-Y446 AromaticContact CE1-CE2 3.98Å; F391-Y446 HydrophobicContact CE1-CE2 3.98Å; F391-Y446 HydrophobicContact CZ-CE2 4.1Å; F391-F465 HydrophobicContact CD1-CB 4.15Å; F391-F465 HydrophobicContact CD1-CD1 4.06Å; F391-F465 HydrophobicContact CD1-CD2 4.31Å; F391-F465 AromaticContact CD1-CG 3.9Å; F391-F465 HydrophobicContact CD1-CG 3.9Å; F391-F465 HydrophobicContact CE1-CB 4.39Å; F391-F465 AromaticContact CE1-CD1 3.57Å; F391-F465 HydrophobicContact CE1-CD1 3.57Å; F391-F465 AromaticContact CE1-CE1 3.91Å; F391-F465 HydrophobicContact CE1-CE1 3.91Å; F391-F465 AromaticContact CE1-CG 3.92Å; F391-F465 HydrophobicContact CE1-CG 3.92Å; F391-V497 HydrophobicContact CD2-CG1 4.46Å; F391-V497 HydrophobicContact CE1-CB 4.39Å; F391-V497 HydrophobicContact CE1-CG1 4.19Å; F391-V497 HydrophobicContact CE1-CG2 4.41Å; F391-V497 HydrophobicContact CE2-CB 4.22Å; F391-V497 HydrophobicContact CE2-CG1 3.71Å; F391-V497 HydrophobicContact CZ-CB 3.69Å; F391-V497 HydrophobicContact CZ-CG1 3.56Å; F391-V497 HydrophobicContact CZ-CG2 4.15Å |
| 392 | W | 94.1 | Very high | 94.8 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 5% | 0.045 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -15.7 | -177.3 | 68.3 | -83.5 | 0 | 0 | 0 | 113.8 | A389 T390 Q396 H459 K461 R462 F465 M642 | A389-W392 PolarHBondContact O-NE1 3.34Å; T390-W392 PolarHBondContact O-N 3.14Å; W392-Q396 PolarHBondContact O-NE2 3.19Å; W392-H459 PolarHBondContact O-NE2 2.58Å; W392-K461 HydrophobicContact CE3-CB 4.49Å; W392-K461 HydrophobicContact CE3-CD 4.05Å; W392-K461 HydrophobicContact CZ3-CD 3.72Å; W392-R462 HydrophobicContact CD2-CB 4.34Å; W392-R462 HydrophobicContact CG-CB 3.9Å; W392-F465 HydrophobicContact CB-CD2 3.54Å; W392-F465 HydrophobicContact CB-CE2 3.63Å; W392-M642 HydrophobicContact CH2-CG 4.18Å; W392-M642 HydrophobicContact CH2-SD 4.31Å; W392-M642 HydrophobicContact CZ2-SD 4.24Å |
| 393 | V | 92.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -12.6 | -178.1 | -50.2 | 0 | 0 | 0 | 0 | 113.4 | S379 T390 F391 Y638 | S379-V393 WeakPolarHBondContact O-CG2 3.27Å; T390-V393 WeakPolarHBondContact O-CG2 3.3Å; T390-V393 PolarHBondContact O-N 3.44Å; F391-V393 PolarHBondContact O-N 2.88Å; F391-V393 VanDerWaalsContact O-N 3.16Å; V393-Y638 HydrophobicContact CB-CD1 4.2Å; V393-Y638 HydrophobicContact CB-CE1 4.23Å; V393-Y638 HydrophobicContact CG1-CD1 3.7Å; V393-Y638 HydrophobicContact CG1-CE1 4.14Å; V393-Y638 HydrophobicContact CG2-CD1 3.99Å; V393-Y638 HydrophobicContact CG2-CE1 3.52Å |
| 394 | N | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -58.3 | 152.3 | 172.6 | -68.6 | -69.9 | 0 | 0 | 0 | 110.2 | T380 G382 G383 F391 Q396 H459 V497 | T380-N394 WeakPolarHBondContact O-CA 3.23Å; T380-N394 PolarHBondContact O-OD1 2.98Å; G382-N394 PolarHBondContact N-OD1 3Å; G382-N394 VanDerWaalsContact N-OD1 3.12Å; G383-N394 PolarHBondContact O-ND2 2.78Å; F391-N394 PolarHBondContact O-N 3.18Å; F391-N394 PolarHBondContact O-ND2 2.61Å; N394-Q396 WeakPolarHBondContact O-CG 3.48Å; N394-H459 PolarHBondContact O-CE1 3.47Å; N394-V497 HydrophobicContact CB-CG1 3.74Å |
| 395 | P | 95.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | trans | -55 | 146.1 | 171.5 | -24.4 | 35.7 | 0 | 0 | 0 | 111.3 | T374 F397 P498 F509 K653 | T374-P395 WeakPolarHBondContact O-CG 3.47Å; P395-F397 HydrophobicContact CB-CE2 3.87Å; P395-F397 HydrophobicContact CB-CZ 4.13Å; P395-P498 WeakPolarHBondContact O-CD 3.5Å; P395-F509 HydrophobicContact CB-CZ 4.04Å; P395-F509 HydrophobicContact CG-CE1 4.04Å; P395-F509 HydrophobicContact CG-CZ 3.9Å; P395-K653 HydrophobicContact CB-CD 4.48Å; P395-K653 HydrophobicContact CG-CD 4.47Å | ||
| 396 | Q | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145 | -176.2 | -59.7 | 179.4 | 13.4 | 0 | 0 | 109.6 | W392 N394 H459 L460 V495 V497 L524 | W392-Q396 PolarHBondContact O-NE2 3.19Å; N394-Q396 WeakPolarHBondContact O-CG 3.48Å; Q396-H459 PolarHBondContact NE2-CE1 3.16Å; Q396-H459 PolarHBondContact NE2-NE2 3.03Å; Q396-H459 VanDerWaalsContact NE2-NE2 3.14Å; Q396-L460 PolarHBondContact NE2-O 3.28Å; Q396-L460 VanDerWaalsContact OE1-CB 3.26Å; Q396-V495 HydrophobicContact CB-CG1 4.18Å; Q396-V497 HydrophobicContact CG-CG2 4.3Å; Q396-L524 HydrophobicContact CB-CB 3.78Å; Q396-L524 HydrophobicContact CB-CD1 4.26Å; Q396-L524 PolarHBondContact O-N 2.84Å |
| 397 | F | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.8 | -178.4 | -58 | -90 | 0 | 0 | 0 | 109.9 | Y371 P395 V495 V496 P498 F509 L511 F513 A522 E523 | Y371-F397 HydrophobicContact CD1-CD1 4.06Å; Y371-F397 AromaticContact CD1-CE1 3.94Å; Y371-F397 HydrophobicContact CD1-CE1 3.94Å; Y371-F397 AromaticContact CD2-CD1 3.96Å; Y371-F397 HydrophobicContact CD2-CD1 3.96Å; Y371-F397 HydrophobicContact CD2-CE1 4.29Å; Y371-F397 AromaticContact CG-CD1 3.7Å; Y371-F397 HydrophobicContact CG-CD1 3.7Å; Y371-F397 AromaticContact CG-CE1 3.61Å; Y371-F397 HydrophobicContact CG-CE1 3.61Å; P395-F397 HydrophobicContact CB-CE2 3.87Å; P395-F397 HydrophobicContact CB-CZ 4.13Å; F397-V495 CarbonylContact O-C 3.59Å; F397-V495 WeakPolarHBondContact O-CA 3.27Å; F397-V496 HydrophobicContact CB-CB 4.38Å; F397-V496 PolarHBondContact N-O 3.29Å; F397-V496 PolarHBondContact O-N 3.08Å; F397-P498 HydrophobicContact CD2-CG 3.99Å; F397-P498 HydrophobicContact CE2-CG 3.64Å; F397-F509 HydrophobicContact CE2-CE2 4.05Å; F397-F509 HydrophobicContact CE2-CZ 4.16Å; F397-F509 HydrophobicContact CZ-CE2 4.17Å; F397-F509 HydrophobicContact CZ-CZ 4.34Å; F397-L511 HydrophobicContact CB-CD2 3.95Å; F397-L511 HydrophobicContact CD1-CD2 4.27Å; F397-L511 HydrophobicContact CD2-CD2 3.31Å; F397-L511 HydrophobicContact CE2-CD2 3.83Å; F397-L511 HydrophobicContact CG-CD2 3.56Å; F397-L511 HydrophobicContact CZ-CD2 4.5Å; F397-F513 HydrophobicContact CB-CE2 4.38Å; F397-F513 HydrophobicContact CB-CZ 3.99Å; F397-A522 CarbonylContact C-O 3.41Å; F397-A522 WeakPolarHBondContact CA-O 3.46Å; F397-E523 HydrophobicContact CD1-CB 4.06Å; F397-E523 HydrophobicContact CD1-CG 4.17Å; F397-E523 HydrophobicContact CE1-CB 4.07Å; F397-E523 HydrophobicContact CE1-CG 3.88Å |
| 398 | K | 94 | Very high | 90 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 138 | 174.5 | -170.9 | 164.1 | 74.5 | 161.3 | 0 | 110.3 | E493 Y494 T521 A522 L524 | K398-E493 HydrophobicContact CD-CB 4.46Å; K398-E493 WeakPolarHBondContact CD-OE2 3.2Å; K398-E493 IonicContact NZ-OE1 3.41Å; K398-E493 PolarHBondContact NZ-OE1 3.14Å; K398-E493 VanDerWaalsContact NZ-OE1 3.1Å; K398-E493 IonicContact NZ-OE2 3.77Å; K398-E493 PolarHBondContact NZ-OE2 3.28Å; K398-Y494 CarbonylContact C-O 3.48Å; K398-Y494 VanDerWaalsContact CA-O 3.3Å; K398-Y494 WeakPolarHBondContact CA-O 3.3Å; K398-T521 CarbonylContact O-C 3.38Å; K398-T521 VanDerWaalsContact O-CA 3.27Å; K398-T521 WeakPolarHBondContact O-CA 3.33Å; K398-A522 PolarHBondContact N-O 2.89Å; K398-A522 PolarHBondContact O-N 2.97Å; K398-L524 HydrophobicContact CB-CD1 4.08Å; K398-L524 HydrophobicContact CB-CD2 3.92Å; K398-L524 HydrophobicContact CB-CG 3.86Å; K398-L524 HydrophobicContact CD-CD2 4.42Å |
| 399 | I | 94.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.2 | 164.1 | -176.8 | 175.4 | 0 | 0 | 0 | 109 | L401 F419 E493 Y494 V496 F513 A519 G520 T521 | I399-L401 HydrophobicContact CD1-CD2 3.66Å; I399-L401 HydrophobicContact CD1-CG 4.28Å; I399-L401 HydrophobicContact CG1-CD2 3.89Å; I399-L401 HydrophobicContact CG1-CG 4.21Å; I399-F419 HydrophobicContact CD1-CD1 4.38Å; I399-F419 HydrophobicContact CD1-CD2 3.8Å; I399-F419 HydrophobicContact CD1-CE2 4.03Å; I399-F419 HydrophobicContact CD1-CG 3.98Å; I399-F419 HydrophobicContact CD1-CZ 4.43Å; I399-E493 WeakPolarHBondContact O-CA 3.47Å; I399-Y494 HydrophobicContact CG2-CD2 4.48Å; I399-Y494 PolarHBondContact N-O 3.25Å; I399-Y494 PolarHBondContact O-N 3.42Å; I399-V496 HydrophobicContact CG2-CG2 4.29Å; I399-F513 HydrophobicContact CB-CD1 4.39Å; I399-F513 HydrophobicContact CB-CE1 4.03Å; I399-F513 HydrophobicContact CD1-CD1 3.84Å; I399-F513 HydrophobicContact CD1-CE1 4.26Å; I399-F513 HydrophobicContact CG1-CD1 4.49Å; I399-F513 HydrophobicContact CG2-CE1 4.42Å; I399-A519 HydrophobicContact CD1-CB 4.42Å; I399-A519 HydrophobicContact CG1-CB 4.28Å; I399-G520 CarbonylContact C-O 3.39Å; I399-G520 WeakPolarHBondContact CA-O 3.39Å; I399-T521 HydrophobicContact CB-CG2 4.37Å; I399-T521 HydrophobicContact CG1-CG2 4.13Å |
| 400 | R | 94.7 | Very high | 86.4 | Confident | 116 Ų | 116 | 48.5 Ų | 48.5 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.2 | 175.6 | 178.4 | 176.6 | 168.6 | 169.6 | -0.1 | 108.5 | D402 E493 A519 G520 | R400-D402 IonicContact CZ-OD1 2.71Å; R400-D402 IonicContact CZ-OD2 2.99Å; R400-D402 IonicContact NE-OD1 3.2Å; R400-D402 PolarHBondContact NE-OD1 3.33Å; R400-D402 IonicContact NE-OD2 3.66Å; R400-D402 PolarHBondContact NE-OD2 3.48Å; R400-D402 VanDerWaalsContact NE-OD2 3.14Å; R400-D402 IonicContact NH2-OD1 3.6Å; R400-D402 PolarHBondContact NH2-OD1 2.9Å; R400-D402 IonicContact NH2-OD2 3.41Å; R400-E493 HydrophobicContact CB-CG 4.2Å; R400-E493 HydrophobicContact CG-CG 4.06Å; R400-A519 WeakPolarHBondContact O-CA 3.33Å; R400-G520 PolarHBondContact N-O 3.43Å; R400-G520 PolarHBondContact O-N 2.84Å |
| 401 | L | 94.7 | Very high | 84.6 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 111.6 | -179.9 | -60.1 | 175.6 | 0 | 0 | 0 | 107.9 | I399 C417 F419 L489 P491 G492 Y494 A519 | I399-L401 HydrophobicContact CD1-CD2 3.66Å; I399-L401 HydrophobicContact CD1-CG 4.28Å; I399-L401 HydrophobicContact CG1-CD2 3.89Å; I399-L401 HydrophobicContact CG1-CG 4.21Å; L401-C417 HydrophobicContact CB-CB 3.81Å; L401-C417 HydrophobicContact CD1-CB 3.9Å; L401-C417 HydrophobicContact CD2-CB 4.11Å; L401-C417 HydrophobicContact CG-CB 4.15Å; L401-F419 HydrophobicContact CD1-CD1 3.85Å; L401-F419 HydrophobicContact CD1-CE1 3.67Å; L401-F419 HydrophobicContact CD2-CD1 4.2Å; L401-L489 HydrophobicContact CD1-CB 4.05Å; L401-P491 CarbonylContact O-C 3.56Å; L401-P491 WeakPolarHBondContact O-CA 3.49Å; L401-P491 WeakPolarHBondContact O-CB 3.17Å; L401-G492 PolarHBondContact N-O 2.81Å; L401-G492 PolarHBondContact O-N 3.05Å; L401-Y494 HydrophobicContact CD1-CD2 4.01Å; L401-Y494 HydrophobicContact CD1-CE2 3.79Å; L401-Y494 HydrophobicContact CG-CD2 4.42Å; L401-Y494 HydrophobicContact CG-CE2 4.4Å; L401-A519 HydrophobicContact CD2-CB 3.97Å |
| 402 | D | 92.2 | Very high | 82.8 | Confident | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | trans | -104.9 | -46.1 | -177.4 | -65.3 | -65.4 | 0 | 0 | 0 | 111.9 | R400 | R400-D402 IonicContact CZ-OD1 2.71Å; R400-D402 IonicContact CZ-OD2 2.99Å; R400-D402 IonicContact NE-OD1 3.2Å; R400-D402 PolarHBondContact NE-OD1 3.33Å; R400-D402 IonicContact NE-OD2 3.66Å; R400-D402 PolarHBondContact NE-OD2 3.48Å; R400-D402 VanDerWaalsContact NE-OD2 3.14Å; R400-D402 IonicContact NH2-OD1 3.6Å; R400-D402 PolarHBondContact NH2-OD1 2.9Å; R400-D402 IonicContact NH2-OD2 3.41Å | ||
| 403 | E | 90.8 | Very high | 81.4 | Confident | 116 Ų | 116 | 64.2 Ų | 64.2 | 54% | 0.542 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -101.9 | 128.8 | -174.4 | -69.2 | 178.9 | -160.9 | 0 | 0 | 111.9 | C417 K517 | E403-C417 VanDerWaalsContact C-SG 3.57Å; E403-C417 PolarHBondContact O-SG 3.33Å; E403-K517 HydrophobicContact CB-CB 3.91Å; E403-K517 HydrophobicContact CB-CG 4.02Å |
| 404 | T | 89.3 | Confident | 80.4 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 155.2 | 172.1 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | P491 | T404-P491 HydrophobicContact CG2-CG 3.6Š|
| 405 | D | 82.7 | Confident | 79.8 | Confident | 10 Ų | 10 | 76.7 Ų | 76.7 | 5% | 0.053 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 156.4 | 179.8 | -51.6 | -33.9 | 0 | 0 | 0 | 111.5 | G416 S418 R488 | D405-G416 PolarHBondContact N-O 3.05Å; D405-S418 PolarHBondContact OD1-N 3.28Å; D405-S418 WeakPolarHBondContact OD2-CB 3.47Å; D405-S418 PolarHBondContact OD2-N 3.05Å; D405-S418 PolarHBondContact OD2-OG 2.78Å; D405-R488 IonicContact OD2-CZ 3.76Å; D405-R488 IonicContact OD2-NH1 3.4Å; D405-R488 PolarHBondContact OD2-NH1 2.81Å |
| 406 | D | 80.2 | Confident | 79.4 | Confident | 68 Ų | 68 | 76.6 Ų | 76.6 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 140.2 | 173.8 | -58.3 | -32.7 | 0 | 0 | 0 | 109.3 | R364 D408 K517 | R364-D406 IonicContact CZ-OD2 2.79Å; R364-D406 VanDerWaalsContact CZ-OD2 3.3Å; R364-D406 IonicContact NH1-OD2 3.26Å; R364-D406 IonicContact NH2-OD2 3.75Å; R364-D406 PolarHBondContact NH2-OD2 3.24Å; D406-D408 PolarHBondContact O-N 3.31Å; D406-K517 VanDerWaalsContact CG-NZ 3.31Å; D406-K517 IonicContact OD1-NZ 3.93Å; D406-K517 PolarHBondContact OD1-NZ 2.81Å; D406-K517 IonicContact OD2-NZ 2.85Å; D406-K517 PolarHBondContact OD2-NZ 3.14Å |
| 407 | P | 70.3 | Confident | 79.2 | Confident | 125 Ų | 125 | 76.8 Ų | 76.8 | 81% | 0.812 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 131.5 | 175.7 | 21.4 | -30.2 | 0 | 0 | 0 | 110 | ||
| 408 | D | 64.8 | Low | 78.8 | Confident | 48 Ų | 48 | 77.4 Ų | 77.4 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 151.1 | 175.1 | 50.3 | -15.9 | 0 | 0 | 0 | 110.9 | D406 Y410 G411 R413 | D406-D408 PolarHBondContact O-N 3.31Å; D408-Y410 PolarHBondContact O-N 2.8Å; D408-G411 PolarHBondContact O-N 3.34Å; D408-G411 VanDerWaalsContact O-N 3.09Å; D408-R413 WeakPolarHBondContact OD2-CD 3.43Å; D408-R413 WeakPolarHBondContact OD2-CG 3.38Å; D408-R413 IonicContact OD2-CZ 3.13Å; D408-R413 IonicContact OD2-NE 3.41Å; D408-R413 PolarHBondContact OD2-NE 3.11Å; D408-R413 IonicContact OD2-NH1 3.01Å |
| 409 | D | 52.9 | Low | 78.7 | Confident | 164 Ų | 164 | 75.9 Ų | 75.9 | 88% | 0.877 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -14 | -179.8 | -67.2 | -40.3 | 0 | 0 | 0 | 113.4 | ||
| 410 | Y | 56.2 | Low | 78.5 | Confident | 155 Ų | 155 | 75.8 Ų | 75.8 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -0.5 | -176.6 | -61.8 | -72.7 | 0 | 0 | 0 | 114.9 | D408 D412 | D408-Y410 PolarHBondContact O-N 2.8Å; Y410-D412 PolarHBondContact O-N 3.17Å |
| 411 | G | 53.5 | Low | 78.5 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 66% | 0.66 | 38% | 0.378 | S | S | * | . | trans | 61.8 | -10.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | D408 | D408-G411 PolarHBondContact O-N 3.34Å; D408-G411 VanDerWaalsContact O-N 3.09Å | ||
| 412 | D | 58.3 | Low | 78.6 | Confident | 159 Ų | 159 | 70 Ų | 70 | 85% | 0.85 | 38% | 0.376 | S | S | * | . | trans | -100.9 | -1.4 | -167.8 | -80.1 | -17.3 | 0 | 0 | 0 | 114.3 | Y410 | Y410-D412 PolarHBondContact O-N 3.17Š| ||
| 413 | R | 64.4 | Low | 78.8 | Confident | 141 Ų | 141 | 66 Ų | 66 | 53% | 0.532 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -93 | 128.5 | -179.6 | -62.4 | -171 | -174.1 | 168.1 | 1.2 | 111.2 | D233 D408 S415 | D233-R413 IonicContact OD2-NH2 2.8Å; D233-R413 PolarHBondContact OD2-NH2 3.41Å; D408-R413 WeakPolarHBondContact OD2-CD 3.43Å; D408-R413 WeakPolarHBondContact OD2-CG 3.38Å; D408-R413 IonicContact OD2-CZ 3.13Å; D408-R413 IonicContact OD2-NE 3.41Å; D408-R413 PolarHBondContact OD2-NE 3.11Å; D408-R413 IonicContact OD2-NH1 3.01Å; R413-S415 PolarHBondContact O-N 3.36Å |
| 414 | E | 72.5 | Confident | 79.1 | Confident | 177 Ų | 177 | 60.5 Ų | 60.5 | 83% | 0.827 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 139.6 | 173.4 | -71.6 | -176 | 166.8 | 0 | 0 | 110.9 | G416 R488 | E414-G416 PolarHBondContact O-N 3.46Å; E414-R488 PolarHBondContact O-NE 2.94Å; E414-R488 PolarHBondContact O-NH2 2.94Å |
| 415 | S | 82.4 | Confident | 79.5 | Confident | 89 Ų | 89 | 58 Ų | 58 | 62% | 0.622 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -63.4 | 133.3 | 177.6 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | R413 | R413-S415 PolarHBondContact O-N 3.36Š|
| 416 | G | 88.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | trans | -174.2 | 173 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D405 E414 | D405-G416 PolarHBondContact N-O 3.05Å; E414-G416 PolarHBondContact O-N 3.46Å | ||
| 417 | C | 91.5 | Very high | 80.5 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.8 | 179 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | L401 E403 R488 L489 | L401-C417 HydrophobicContact CB-CB 3.81Å; L401-C417 HydrophobicContact CD1-CB 3.9Å; L401-C417 HydrophobicContact CD2-CB 4.11Å; L401-C417 HydrophobicContact CG-CB 4.15Å; E403-C417 VanDerWaalsContact C-SG 3.57Å; E403-C417 PolarHBondContact O-SG 3.33Å; C417-R488 WeakPolarHBondContact O-CA 3.44Å; C417-L489 WeakPolarHBondContact CB-O 3.5Å; C417-L489 PolarHBondContact N-O 3.16Å; C417-L489 PolarHBondContact O-N 3.48Å; C417-L489 VanDerWaalsContact O-N 3.16Å |
| 418 | S | 87.8 | Confident | 81.5 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132.4 | 178.8 | -61.4 | 0 | 0 | 0 | 0 | 112 | D405 F487 R488 E516 | D405-S418 PolarHBondContact OD1-N 3.28Å; D405-S418 WeakPolarHBondContact OD2-CB 3.47Å; D405-S418 PolarHBondContact OD2-N 3.05Å; D405-S418 PolarHBondContact OD2-OG 2.78Å; S418-F487 WeakPolarHBondContact CA-O 3.33Å; S418-R488 PolarHBondContact OG-NH1 3.32Å; S418-E516 PolarHBondContact O-N 3.15Å; S418-E516 VanDerWaalsContact O-N 3.17Å |
| 419 | F | 90.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 154.8 | 172.5 | 68.5 | -77.9 | 0 | 0 | 0 | 111.4 | I399 L401 L421 F487 L489 F514 | I399-F419 HydrophobicContact CD1-CD1 4.38Å; I399-F419 HydrophobicContact CD1-CD2 3.8Å; I399-F419 HydrophobicContact CD1-CE2 4.03Å; I399-F419 HydrophobicContact CD1-CG 3.98Å; I399-F419 HydrophobicContact CD1-CZ 4.43Å; L401-F419 HydrophobicContact CD1-CD1 3.85Å; L401-F419 HydrophobicContact CD1-CE1 3.67Å; L401-F419 HydrophobicContact CD2-CD1 4.2Å; F419-L421 HydrophobicContact CD2-CB 4.43Å; F419-L421 HydrophobicContact CE2-CB 4.21Å; F419-F487 HydrophobicContact CD1-CB 4.18Å; F419-F487 HydrophobicContact CD2-CD2 4.49Å; F419-F487 HydrophobicContact CE1-CB 3.6Å; F419-F487 HydrophobicContact CE2-CB 4.2Å; F419-F487 AromaticContact CE2-CD2 3.74Å; F419-F487 HydrophobicContact CE2-CD2 3.74Å; F419-F487 HydrophobicContact CE2-CG 4.42Å; F419-F487 HydrophobicContact CZ-CB 3.62Å; F419-F487 AromaticContact CZ-CD2 3.8Å; F419-F487 HydrophobicContact CZ-CD2 3.8Å; F419-F487 HydrophobicContact CZ-CG 4.07Å; F419-F487 PolarHBondContact N-O 3.14Å; F419-F487 PolarHBondContact O-N 2.98Å; F419-L489 HydrophobicContact CE1-CB 4.35Å; F419-L489 HydrophobicContact CE1-CD1 3.8Å; F419-L489 HydrophobicContact CE1-CG 4.01Å; F419-L489 HydrophobicContact CZ-CD1 3.86Å; F419-L489 HydrophobicContact CZ-CG 4.48Å; F419-F514 CarbonylContact C-O 3.36Å; F419-F514 WeakPolarHBondContact CA-O 3.45Å; F419-F514 WeakPolarHBondContact CB-O 3.46Å |
| 420 | V | 91.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.9 | 170 | -173.5 | 0 | 0 | 0 | 0 | 107.7 | V221 E223 R486 F514 | V221-V420 HydrophobicContact CG2-CG1 3.84Å; E223-V420 HydrophobicContact CG-CG1 4.44Å; V420-R486 HydrophobicContact CG2-CB 4.25Å; V420-R486 HydrophobicContact CG2-CG 4.48Å; V420-F514 HydrophobicContact CB-CB 4.16Å; V420-F514 PolarHBondContact N-O 2.9Å; V420-F514 PolarHBondContact O-N 3.26Å |
| 421 | L | 94.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.2 | 172.9 | -174.2 | 62.6 | 0 | 0 | 0 | 108.5 | F419 F443 V445 S484 T485 F487 V496 L511 F513 | F419-L421 HydrophobicContact CD2-CB 4.43Å; F419-L421 HydrophobicContact CE2-CB 4.21Å; L421-F443 HydrophobicContact CB-CE2 4.23Å; L421-F443 HydrophobicContact CB-CZ 4.02Å; L421-F443 HydrophobicContact CD2-CD1 4.31Å; L421-F443 HydrophobicContact CD2-CD2 3.38Å; L421-F443 HydrophobicContact CD2-CE1 4.3Å; L421-F443 HydrophobicContact CD2-CE2 3.41Å; L421-F443 VanDerWaalsContact CD2-CE2 3.41Å; L421-F443 HydrophobicContact CD2-CG 3.87Å; L421-F443 HydrophobicContact CD2-CZ 3.88Å; L421-F443 HydrophobicContact CG-CD1 4.47Å; L421-F443 HydrophobicContact CG-CD2 4.28Å; L421-F443 HydrophobicContact CG-CE1 4.19Å; L421-F443 HydrophobicContact CG-CE2 4.04Å; L421-F443 HydrophobicContact CG-CZ 3.97Å; L421-V445 HydrophobicContact CD2-CG2 4.09Å; L421-S484 CarbonylContact O-C 3.57Å; L421-S484 VanDerWaalsContact O-CA 3.26Å; L421-S484 WeakPolarHBondContact O-CA 3.37Å; L421-T485 PolarHBondContact N-O 2.8Å; L421-T485 PolarHBondContact O-N 2.72Å; L421-F487 HydrophobicContact CB-CD2 4.26Å; L421-F487 HydrophobicContact CB-CE2 4.03Å; L421-F487 HydrophobicContact CD2-CE2 4.35Å; L421-V496 HydrophobicContact CD1-CG1 4.23Å; L421-V496 HydrophobicContact CD1-CG2 4.48Å; L421-V496 HydrophobicContact CD2-CB 4.32Å; L421-V496 HydrophobicContact CD2-CG1 3.42Å; L421-V496 VanDerWaalsContact CD2-CG1 3.42Å; L421-V496 HydrophobicContact CD2-CG2 3.91Å; L421-V496 HydrophobicContact CG-CG1 4.36Å; L421-L511 HydrophobicContact CD1-CD1 3.69Å; L421-L511 HydrophobicContact CD1-CD2 4.41Å; L421-L511 HydrophobicContact CD1-CG 4.07Å; L421-L511 HydrophobicContact CG-CD1 4.16Å; L421-F513 HydrophobicContact CD1-CD1 3.49Å; L421-F513 VanDerWaalsContact CD1-CD1 3.49Å; L421-F513 HydrophobicContact CD1-CE1 3.33Å; L421-F513 HydrophobicContact CD1-CE2 4.39Å; L421-F513 HydrophobicContact CD1-CG 4.15Å; L421-F513 HydrophobicContact CD1-CZ 3.81Å |
| 422 | A | 95.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V221 E482 L511 R512 F514 | V221-A422 HydrophobicContact CG2-CB 3.85Å; A422-E482 HydrophobicContact CB-CG 4.35Å; A422-E482 WeakPolarHBondContact CB-OE1 3.29Å; A422-L511 CarbonylContact O-C 3.6Å; A422-L511 WeakPolarHBondContact O-CA 3.47Å; A422-R512 HydrophobicContact CB-CB 4.25Å; A422-R512 PolarHBondContact N-O 3.12Å; A422-R512 PolarHBondContact O-N 2.71Å; A422-F514 HydrophobicContact CB-CE2 4.43Å |
| 423 | L | 97.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.2 | 179.8 | 174.4 | 63.1 | 0 | 0 | 0 | 109.8 | W375 I441 G442 F443 E482 V483 P498 F509 L511 | W375-L423 HydrophobicContact CH2-CD1 4.12Å; W375-L423 HydrophobicContact CH2-CD2 4.19Å; W375-L423 HydrophobicContact CH2-CG 4.42Å; W375-L423 HydrophobicContact CZ2-CD1 4.25Å; W375-L423 HydrophobicContact CZ2-CD2 4.22Å; L423-I441 HydrophobicContact CD2-CB 4.27Å; L423-I441 HydrophobicContact CG-CD1 4.3Å; L423-I441 WeakPolarHBondContact O-CD1 3.47Å; L423-G442 WeakPolarHBondContact CD2-O 3.48Å; L423-F443 HydrophobicContact CB-CD1 3.79Å; L423-F443 HydrophobicContact CB-CE1 4.26Å; L423-F443 HydrophobicContact CD2-CB 4.47Å; L423-F443 HydrophobicContact CD2-CD1 4.22Å; L423-E482 CarbonylContact O-C 3.52Å; L423-E482 VanDerWaalsContact O-CA 3.3Å; L423-E482 WeakPolarHBondContact O-CA 3.18Å; L423-V483 PolarHBondContact N-O 3.33Å; L423-V483 PolarHBondContact O-N 3.14Å; L423-P498 HydrophobicContact CD1-CB 3.59Å; L423-P498 HydrophobicContact CD2-CB 3.68Å; L423-P498 HydrophobicContact CG-CB 4.23Å; L423-F509 HydrophobicContact CD1-CB 3.94Å; L423-F509 HydrophobicContact CD1-CD2 3.48Å; L423-F509 VanDerWaalsContact CD1-CD2 3.48Å; L423-F509 HydrophobicContact CD1-CE2 4.18Å; L423-F509 HydrophobicContact CD1-CG 3.87Å; L423-L511 HydrophobicContact CB-CD1 4.12Å; L423-L511 HydrophobicContact CD1-CD1 4.25Å |
| 424 | M | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128 | -177.8 | -171.9 | -178 | -65 | 0 | 0 | 111.7 | W154 F156 E215 R481 E482 F509 V510 | W154-M424 HydrophobicContact CH2-CE 3.88Å; W154-M424 HydrophobicContact CH2-SD 4.08Å; W154-M424 HydrophobicContact CZ3-CE 3.69Å; W154-M424 HydrophobicContact CZ3-SD 3.78Å; F156-M424 HydrophobicContact CD1-CG 4.21Å; F156-M424 HydrophobicContact CD1-SD 3.61Å; F156-M424 HydrophobicContact CE1-CG 4.49Å; F156-M424 HydrophobicContact CE1-SD 4.05Å; E215-M424 HydrophobicContact CB-CE 4.28Å; E215-M424 HydrophobicContact CG-CE 4.19Å; E215-M424 WeakPolarHBondContact OE2-CE 3.28Å; M424-R481 CarbonylContact C-O 3.51Å; M424-R481 VanDerWaalsContact CA-O 3.32Å; M424-R481 WeakPolarHBondContact CA-O 3.47Å; M424-R481 HydrophobicContact CG-CG 4.16Å; M424-E482 HydrophobicContact CB-CB 4.19Å; M424-E482 HydrophobicContact CB-CG 4.38Å; M424-E482 HydrophobicContact CE-CB 4.22Å; M424-E482 WeakPolarHBondContact CE-OE2 3.38Å; M424-E482 HydrophobicContact CG-CB 4.24Å; M424-F509 CarbonylContact O-C 3.51Å; M424-F509 WeakPolarHBondContact O-CA 3.47Å; M424-F509 VanDerWaalsContact O-CB 3.29Å; M424-F509 WeakPolarHBondContact O-CB 3.33Å; M424-V510 HydrophobicContact CB-CB 4.49Å; M424-V510 PolarHBondContact N-O 2.78Å; M424-V510 PolarHBondContact O-N 3.5Å |
| 425 | Q | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 140.9 | 170.9 | 64 | -175.6 | -56.1 | 0 | 0 | 112 | R428 M438 E439 I441 L480 R481 D508 | Q425-R428 HydrophobicContact CG-CG 3.93Å; Q425-M438 HydrophobicContact CG-SD 3.91Å; Q425-E439 PolarHBondContact NE2-O 2.75Å; Q425-I441 HydrophobicContact CB-CD1 4.22Å; Q425-I441 HydrophobicContact CG-CD1 4.17Å; Q425-L480 PolarHBondContact NE2-O 3Å; Q425-R481 WeakPolarHBondContact CG-O 3.38Å; Q425-R481 PolarHBondContact N-O 3.49Å; Q425-D508 WeakPolarHBondContact CA-O 3.3Å |
| 426 | K | 95.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.087 | 19% | 0.186 | C | C | . | . | trans | -94.6 | 147.5 | -170.7 | -53.3 | 175.8 | 65.1 | 174.3 | 0 | 112.9 | F156 E372 R428 D508 V510 | F156-K426 HydrophobicContact CB-CD 4Å; F156-K426 HydrophobicContact CB-CG 3.83Å; F156-K426 HydrophobicContact CD1-CB 3.91Å; F156-K426 HydrophobicContact CD1-CG 3.69Å; F156-K426 HydrophobicContact CD2-CB 4.3Å; F156-K426 HydrophobicContact CD2-CG 4.44Å; F156-K426 HydrophobicContact CE1-CB 4.18Å; F156-K426 HydrophobicContact CE1-CG 4.43Å; F156-K426 HydrophobicContact CG-CB 3.98Å; F156-K426 HydrophobicContact CG-CD 4.33Å; F156-K426 HydrophobicContact CG-CG 3.71Å; E372-K426 IonicContact OE2-NZ 3.61Å; E372-K426 PolarHBondContact OE2-NZ 3.02Å; K426-R428 PolarHBondContact O-N 3.18Å; K426-D508 HydrophobicContact CB-CB 4.09Å; K426-D508 HydrophobicContact CD-CB 3.78Å; K426-D508 HydrophobicContact CG-CB 4.19Å; K426-D508 PolarHBondContact N-O 3.29Å; K426-V510 HydrophobicContact CD-CG2 3.88Å; K426-V510 HydrophobicContact CG-CG2 4.12Å | ||
| 427 | H | 89.3 | Confident | 91.1 | Very high | 75 Ų | 75 | 43.4 Ų | 43.4 | 35% | 0.347 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 60.7 | 6.5 | 163.1 | -50.9 | -53.5 | 0 | 0 | 0 | 118.7 | F156 R429 R430 | F156-H427 AromaticContact CD2-CE1 3.47Å; F156-H427 VanDerWaalsContact CD2-CE1 3.47Å; F156-H427 WeakPolarHBondContact CD2-CE1 3.45Å; F156-H427 AromaticContact CD2-ND1 3.81Å; F156-H427 AromaticContact CE2-CE1 3.49Å; F156-H427 VanDerWaalsContact CE2-CE1 3.49Å; F156-H427 WeakPolarHBondContact CE2-CE1 3.45Å; F156-H427 AromaticContact CE2-ND1 3.32Å; F156-H427 VanDerWaalsContact CE2-ND1 3.32Å; F156-H427 WeakPolarHBondContact CE2-ND1 3.47Å; F156-H427 VanDerWaalsContact CZ-N 3.28Å; H427-R429 VanDerWaalsContact C-N 3.33Å; H427-R429 PolarHBondContact O-N 2.92Å; H427-R430 WeakPolarHBondContact O-CB 3.47Å; H427-R430 PolarHBondContact O-N 3.22Å; H427-R430 VanDerWaalsContact O-N 3.1Å |
| 428 | R | 90.8 | Very high | 91.1 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.6 | -36.2 | -175.1 | -66.6 | -60.2 | -168.7 | -164 | -1.3 | 115.2 | Q425 K426 R430 E431 M438 E506 | Q425-R428 HydrophobicContact CG-CG 3.93Å; K426-R428 PolarHBondContact O-N 3.18Å; R428-R430 PolarHBondContact O-N 2.98Å; R428-E431 WeakPolarHBondContact CD-OE2 3.36Å; R428-E431 IonicContact CZ-OE2 2.75Å; R428-E431 IonicContact NE-OE2 2.9Å; R428-E431 IonicContact NH1-OE2 3.39Å; R428-E431 PolarHBondContact NH1-OE2 2.87Å; R428-E431 WeakPolarHBondContact O-CA 3.24Å; R428-E431 WeakPolarHBondContact O-CB 3.5Å; R428-E431 PolarHBondContact O-N 2.57Å; R428-M438 HydrophobicContact CB-CE 3.91Å; R428-M438 HydrophobicContact CB-SD 3.43Å; R428-M438 WeakPolarHBondContact CB-SD 3.16Å; R428-M438 HydrophobicContact CG-SD 3.67Å; R428-E506 PolarHBondContact NH1-O 3.08Å; R428-E506 PolarHBondContact NH2-O 3.42Å |
| 429 | R | 89.8 | Confident | 91.5 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.2 | -37.4 | 177.4 | -73.1 | -175.3 | 174.6 | -78 | -7.5 | 112.6 | W116 N199 S204 G207 E212 H427 E431 R432 M438 | W116-R429 VanDerWaalsContact CZ2-CZ 3.46Å; N199-R429 HydrophobicContact CB-CB 4.46Å; N199-R429 WeakPolarHBondContact OD1-CB 3.45Å; N199-R429 WeakPolarHBondContact OD1-CD 3.33Å; S204-R429 PolarHBondContact O-NH1 3.41Å; G207-R429 PolarHBondContact O-NH1 3.14Å; G207-R429 PolarHBondContact O-NH2 3.21Å; E212-R429 IonicContact OE1-CZ 3.43Å; E212-R429 IonicContact OE1-NH2 3.25Å; E212-R429 PolarHBondContact OE1-NH2 2.81Å; E212-R429 IonicContact OE2-CZ 2.97Å; E212-R429 VanDerWaalsContact OE2-CZ 3.26Å; E212-R429 IonicContact OE2-NE 3.32Å; E212-R429 PolarHBondContact OE2-NE 3.45Å; E212-R429 IonicContact OE2-NH2 2.74Å; E212-R429 PolarHBondContact OE2-NH2 3.46Å; H427-R429 VanDerWaalsContact C-N 3.33Å; H427-R429 PolarHBondContact O-N 2.92Å; R429-E431 PolarHBondContact O-N 3.18Å; R429-R432 WeakPolarHBondContact O-CB 3.41Å; R429-R432 PolarHBondContact O-N 2.88Å; R429-M438 HydrophobicContact CG-CE 4.27Å |
| 430 | R | 87 | Confident | 91.8 | Very high | 99 Ų | 99 | 48.3 Ų | 48.3 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.1 | -22.7 | 177.1 | -59.6 | -178.9 | 74.2 | -177.3 | 5.9 | 112.5 | V198 H427 R428 R433 | V198-R430 WeakPolarHBondContact O-CD 3.4Å; H427-R430 WeakPolarHBondContact O-CB 3.47Å; H427-R430 PolarHBondContact O-N 3.22Å; H427-R430 VanDerWaalsContact O-N 3.1Å; R428-R430 PolarHBondContact O-N 2.98Å; R430-R433 WeakPolarHBondContact O-CG 3.39Å |
| 431 | E | 88.6 | Confident | 92.1 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -83.6 | -11 | 179.5 | -53.6 | -164.3 | 111.2 | 0 | 0 | 113.2 | R428 R429 R433 F434 R436 | R428-E431 WeakPolarHBondContact CD-OE2 3.36Å; R428-E431 IonicContact CZ-OE2 2.75Å; R428-E431 IonicContact NE-OE2 2.9Å; R428-E431 IonicContact NH1-OE2 3.39Å; R428-E431 PolarHBondContact NH1-OE2 2.87Å; R428-E431 WeakPolarHBondContact O-CA 3.24Å; R428-E431 WeakPolarHBondContact O-CB 3.5Å; R428-E431 PolarHBondContact O-N 2.57Å; R429-E431 PolarHBondContact O-N 3.18Å; E431-R433 PolarHBondContact O-N 3.21Å; E431-F434 WeakPolarHBondContact O-CA 3.39Å; E431-F434 WeakPolarHBondContact O-CB 3.32Å; E431-F434 PolarHBondContact O-N 2.61Å; E431-R436 HydrophobicContact CB-CB 3.8Å; E431-R436 PolarHBondContact O-N 3.02Å; E431-R436 IonicContact OE1-NH1 2.77Å; E431-R436 PolarHBondContact OE1-NH1 3.24Å |
| 432 | R | 89.1 | Confident | 92.3 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 21% | 0.211 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -58.7 | -30.9 | 178.6 | -74.2 | -172.2 | 170.7 | 179.1 | -0.9 | 113.9 | F70 S206 R429 F434 G435 R436 D437 | F70-R432 HydrophobicContact CE1-CB 4.46Å; F70-R432 HydrophobicContact CE2-CB 4.38Å; F70-R432 HydrophobicContact CZ-CB 3.73Å; S206-R432 PolarHBondContact O-NH1 2.78Å; R429-R432 WeakPolarHBondContact O-CB 3.41Å; R429-R432 PolarHBondContact O-N 2.88Å; R432-F434 PolarHBondContact O-N 3.38Å; R432-F434 VanDerWaalsContact O-N 3.1Å; R432-G435 PolarHBondContact O-N 3.45Å; R432-R436 VanDerWaalsContact CA-O 3.25Å; R432-R436 WeakPolarHBondContact CA-O 3.47Å; R432-R436 WeakPolarHBondContact CG-O 3.35Å; R432-R436 PolarHBondContact N-O 3.45Å; R432-D437 IonicContact CZ-OD1 3.22Å; R432-D437 IonicContact NE-OD1 3.86Å; R432-D437 PolarHBondContact NE-OD1 3.15Å; R432-D437 VanDerWaalsContact NE-OD1 3.11Å; R432-D437 IonicContact NH2-OD1 2.68Å; R432-D437 PolarHBondContact NH2-OD1 3.15Å |
| 433 | R | 87.6 | Confident | 92.4 | Very high | 153 Ų | 153 | 48.3 Ų | 48.3 | 58% | 0.577 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -60.6 | -18.3 | 172.5 | 73.1 | -174.3 | -179.7 | 172.3 | 0.3 | 113.8 | F70 R430 E431 | F70-R433 HydrophobicContact CB-CB 4.24Å; F70-R433 HydrophobicContact CD1-CB 3.81Å; F70-R433 HydrophobicContact CD2-CB 4.35Å; F70-R433 HydrophobicContact CE1-CB 4.26Å; F70-R433 HydrophobicContact CG-CB 3.87Å; R430-R433 WeakPolarHBondContact O-CG 3.39Å; E431-R433 PolarHBondContact O-N 3.21Å |
| 434 | F | 88.9 | Confident | 92.4 | Very high | 135 Ų | 135 | 48.8 Ų | 48.8 | 59% | 0.592 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -104.3 | 10.9 | 175.4 | -53.4 | -62.2 | 0 | 0 | 0 | 112.7 | E431 R432 R436 | E431-F434 WeakPolarHBondContact O-CA 3.39Å; E431-F434 WeakPolarHBondContact O-CB 3.32Å; E431-F434 PolarHBondContact O-N 2.61Å; R432-F434 PolarHBondContact O-N 3.38Å; R432-F434 VanDerWaalsContact O-N 3.1Å; F434-R436 VanDerWaalsContact C-N 3.3Å; F434-R436 PolarHBondContact O-N 3.36Å |
| 435 | G | 87.1 | Confident | 92.5 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 77% | 0.773 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 17.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R432 | R432-G435 PolarHBondContact O-N 3.45Š|
| 436 | R | 88.1 | Confident | 92.5 | Very high | 144 Ų | 144 | 48.9 Ų | 48.9 | 54% | 0.543 | 23% | 0.234 | S | C | . | . | trans | -96.1 | 148.5 | 174 | -59.2 | 179.6 | -178.5 | 177.3 | -4.2 | 110.2 | E431 R432 F434 | E431-R436 HydrophobicContact CB-CB 3.8Å; E431-R436 PolarHBondContact O-N 3.02Å; E431-R436 IonicContact OE1-NH1 2.77Å; E431-R436 PolarHBondContact OE1-NH1 3.24Å; R432-R436 VanDerWaalsContact CA-O 3.25Å; R432-R436 WeakPolarHBondContact CA-O 3.47Å; R432-R436 WeakPolarHBondContact CG-O 3.35Å; R432-R436 PolarHBondContact N-O 3.45Å; F434-R436 VanDerWaalsContact C-N 3.3Å; F434-R436 PolarHBondContact O-N 3.36Å | ||
| 437 | D | 87.5 | Confident | 92.5 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 41% | 0.406 | 25% | 0.25 | S | S | . | . | trans | -134 | -173.1 | 176.2 | -156.4 | 11.3 | 0 | 0 | 0 | 110.4 | R432 E439 | R432-D437 IonicContact CZ-OD1 3.22Å; R432-D437 IonicContact NE-OD1 3.86Å; R432-D437 PolarHBondContact NE-OD1 3.15Å; R432-D437 VanDerWaalsContact NE-OD1 3.11Å; R432-D437 IonicContact NH2-OD1 2.68Å; R432-D437 PolarHBondContact NH2-OD1 3.15Å; D437-E439 PolarHBondContact O-N 2.95Å | ||
| 438 | M | 92.8 | Very high | 92.6 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | trans | -54.2 | 130.4 | 176.1 | -61.8 | -64.3 | 175.9 | 0 | 0 | 111.8 | Q425 R428 R429 N479 R481 | Q425-M438 HydrophobicContact CG-SD 3.91Å; R428-M438 HydrophobicContact CB-CE 3.91Å; R428-M438 HydrophobicContact CB-SD 3.43Å; R428-M438 WeakPolarHBondContact CB-SD 3.16Å; R428-M438 HydrophobicContact CG-SD 3.67Å; R429-M438 HydrophobicContact CG-CE 4.27Å; M438-N479 HydrophobicContact CB-CB 4.41Å; M438-N479 WeakPolarHBondContact CB-O 3.31Å; M438-R481 HydrophobicContact CE-CB 3.72Å; M438-R481 HydrophobicContact CE-CG 3.92Å; M438-R481 HydrophobicContact SD-CB 4.1Å; M438-R481 HydrophobicContact SD-CG 4.37Å | ||
| 439 | E | 95.3 | Very high | 92.6 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | trans | -75.6 | 153.5 | 170.1 | -67.4 | -65.2 | 168.2 | 0 | 0 | 110.1 | Q425 D437 I441 T500 K505 | Q425-E439 PolarHBondContact NE2-O 2.75Å; D437-E439 PolarHBondContact O-N 2.95Å; E439-I441 HydrophobicContact CB-CG2 4.43Å; E439-I441 PolarHBondContact O-N 3.41Å; E439-T500 HydrophobicContact CB-CG2 4.27Å; E439-K505 WeakPolarHBondContact OE2-CD 3.44Å; E439-K505 IonicContact OE2-NZ 3.16Å | ||
| 440 | T | 97.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | trans | -73.8 | 112.9 | 172.5 | -48.4 | 0 | 0 | 0 | 0 | 109.5 | F477 T500 F501 | T440-F477 VanDerWaalsContact CG2-C 3.44Å; T440-F477 HydrophobicContact CG2-CB 3.84Å; T440-F477 WeakPolarHBondContact CG2-O 3.13Å; T440-T500 CarbonylContact O-C 3.53Å; T440-T500 WeakPolarHBondContact O-CA 3.48Å; T440-F501 HydrophobicContact CG2-CB 3.9Å; T440-F501 PolarHBondContact O-N 2.77Å | ||
| 441 | I | 98.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 159.4 | -175.8 | 61.3 | 174.1 | 0 | 0 | 0 | 111.9 | W375 L423 Q425 E439 F477 I478 V483 T500 | W375-I441 HydrophobicContact CH2-CB 4.44Å; W375-I441 HydrophobicContact CH2-CG2 3.84Å; W375-I441 HydrophobicContact CZ3-CG2 3.96Å; L423-I441 HydrophobicContact CD2-CB 4.27Å; L423-I441 HydrophobicContact CG-CD1 4.3Å; L423-I441 WeakPolarHBondContact O-CD1 3.47Å; Q425-I441 HydrophobicContact CB-CD1 4.22Å; Q425-I441 HydrophobicContact CG-CD1 4.17Å; E439-I441 HydrophobicContact CB-CG2 4.43Å; E439-I441 PolarHBondContact O-N 3.41Å; I441-F477 VanDerWaalsContact C-CD1 3.48Å; I441-F477 WeakPolarHBondContact O-CA 3.27Å; I441-I478 PolarHBondContact N-O 2.97Å; I441-I478 PolarHBondContact O-N 3.46Å; I441-I478 VanDerWaalsContact O-N 3.09Å; I441-V483 HydrophobicContact CD1-CG2 4.24Å; I441-V483 HydrophobicContact CG1-CG2 3.76Å; I441-T500 HydrophobicContact CG2-CG2 4.15Å |
| 442 | G | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 179.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L423 S474 S499 | L423-G442 WeakPolarHBondContact CD2-O 3.48Å; G442-S474 WeakPolarHBondContact CA-OG 3.31Å; G442-S499 PolarHBondContact N-O 2.77Å; G442-S499 PolarHBondContact O-N 2.72Å |
| 443 | F | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158 | -178.9 | 54.5 | -103.5 | 0 | 0 | 0 | 111.9 | L421 L423 V445 R473 S474 V483 F487 V496 V497 P498 | L421-F443 HydrophobicContact CB-CE2 4.23Å; L421-F443 HydrophobicContact CB-CZ 4.02Å; L421-F443 HydrophobicContact CD2-CD1 4.31Å; L421-F443 HydrophobicContact CD2-CD2 3.38Å; L421-F443 HydrophobicContact CD2-CE1 4.3Å; L421-F443 HydrophobicContact CD2-CE2 3.41Å; L421-F443 VanDerWaalsContact CD2-CE2 3.41Å; L421-F443 HydrophobicContact CD2-CG 3.87Å; L421-F443 HydrophobicContact CD2-CZ 3.88Å; L421-F443 HydrophobicContact CG-CD1 4.47Å; L421-F443 HydrophobicContact CG-CD2 4.28Å; L421-F443 HydrophobicContact CG-CE1 4.19Å; L421-F443 HydrophobicContact CG-CE2 4.04Å; L421-F443 HydrophobicContact CG-CZ 3.97Å; L423-F443 HydrophobicContact CB-CD1 3.79Å; L423-F443 HydrophobicContact CB-CE1 4.26Å; L423-F443 HydrophobicContact CD2-CB 4.47Å; L423-F443 HydrophobicContact CD2-CD1 4.22Å; F443-V445 HydrophobicContact CD2-CG2 4.43Å; F443-R473 WeakPolarHBondContact O-CA 3.04Å; F443-R473 WeakPolarHBondContact O-CB 3.27Å; F443-S474 PolarHBondContact N-OG 2.81Å; F443-S474 VanDerWaalsContact N-OG 3.12Å; F443-S474 PolarHBondContact O-N 3.01Å; F443-S474 PolarHBondContact O-OG 2.58Å; F443-V483 HydrophobicContact CE1-CG1 4.22Å; F443-V483 WeakPolarHBondContact CE1-O 3.36Å; F443-F487 AromaticContact CE2-CE2 3.53Å; F443-F487 HydrophobicContact CE2-CE2 3.53Å; F443-F487 AromaticContact CE2-CZ 3.66Å; F443-F487 HydrophobicContact CE2-CZ 3.66Å; F443-F487 HydrophobicContact CZ-CE2 4.05Å; F443-F487 HydrophobicContact CZ-CZ 4.28Å; F443-V496 HydrophobicContact CB-CG1 4.41Å; F443-V497 WeakPolarHBondContact CA-O 3.38Å; F443-P498 HydrophobicContact CB-CB 4.47Å |
| 444 | A | 98.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F391 Y446 V496 V497 | F391-A444 HydrophobicContact CZ-CB 4.28Å; A444-Y446 HydrophobicContact CB-CD2 4.47Å; A444-Y446 HydrophobicContact CB-CE2 3.7Å; A444-V496 WeakPolarHBondContact O-CA 3.44Å; A444-V497 PolarHBondContact N-O 3.16Å; A444-V497 VanDerWaalsContact N-O 3.13Å; A444-V497 PolarHBondContact O-N 2.95Å |
| 445 | V | 98 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.7 | -179.1 | -171.4 | 0 | 0 | 0 | 0 | 109 | L421 F443 S470 R471 A472 F487 L489 Y494 V495 V496 | L421-V445 HydrophobicContact CD2-CG2 4.09Å; F443-V445 HydrophobicContact CD2-CG2 4.43Å; V445-S470 CarbonylContact O-C 3.47Å; V445-S470 WeakPolarHBondContact O-CA 3.39Å; V445-R471 PolarHBondContact O-N 3.35Å; V445-A472 WeakPolarHBondContact CA-O 3.36Å; V445-A472 HydrophobicContact CB-CB 4.03Å; V445-A472 WeakPolarHBondContact CB-O 3.48Å; V445-A472 HydrophobicContact CG2-CB 4.29Å; V445-A472 PolarHBondContact N-O 2.8Å; V445-A472 PolarHBondContact O-N 3.25Å; V445-A472 VanDerWaalsContact O-O 3.12Å; V445-F487 HydrophobicContact CG2-CE2 4.44Å; V445-L489 HydrophobicContact CG1-CD1 4.31Å; V445-Y494 HydrophobicContact CG1-CD1 4.29Å; V445-Y494 HydrophobicContact CG1-CG 4.32Å; V445-V495 CarbonylContact C-O 3.23Å; V445-V495 VanDerWaalsContact CA-O 3.29Å; V445-V495 WeakPolarHBondContact CA-O 3.47Å; V445-V496 HydrophobicContact CG1-CG2 4.38Å; V445-V496 HydrophobicContact CG2-CG2 4.22Å |
| 446 | Y | 97 | Very high | 89.8 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.5 | -179.9 | -68.7 | -93.9 | 0 | 0 | 0 | 109.8 | R385 F391 A444 F464 F465 N468 A469 Y494 V495 V497 | R385-Y446 VanDerWaalsContact CD-OH 3.28Å; R385-Y446 WeakPolarHBondContact CD-OH 3.32Å; F391-Y446 AromaticContact CE1-CE2 3.98Å; F391-Y446 HydrophobicContact CE1-CE2 3.98Å; F391-Y446 HydrophobicContact CZ-CE2 4.1Å; A444-Y446 HydrophobicContact CB-CD2 4.47Å; A444-Y446 HydrophobicContact CB-CE2 3.7Å; Y446-F464 HydrophobicContact CD1-CE1 4.26Å; Y446-F464 HydrophobicContact CG-CE1 4.17Å; Y446-F465 HydrophobicContact CD1-CD1 4.43Å; Y446-F465 HydrophobicContact CD2-CD1 4.12Å; Y446-F465 AromaticContact CD2-CE1 3.97Å; Y446-F465 HydrophobicContact CD2-CE1 3.97Å; Y446-F465 HydrophobicContact CE1-CD1 4.17Å; Y446-F465 AromaticContact CE2-CD1 3.84Å; Y446-F465 HydrophobicContact CE2-CD1 3.84Å; Y446-F465 HydrophobicContact CE2-CE1 4Å; Y446-F465 HydrophobicContact CG-CD1 4.42Å; Y446-F465 HydrophobicContact CG-CE1 4.43Å; Y446-F465 AromaticContact CZ-CD1 3.88Å; Y446-N468 HydrophobicContact CD1-CB 4.29Å; Y446-N468 WeakPolarHBondContact CE1-O 3.31Å; Y446-A469 WeakPolarHBondContact CD1-O 3.47Å; Y446-Y494 CarbonylContact O-C 3.56Å; Y446-Y494 WeakPolarHBondContact O-CA 3.11Å; Y446-Y494 WeakPolarHBondContact O-CB 3.45Å; Y446-V495 PolarHBondContact N-O 3.48Å; Y446-V495 PolarHBondContact O-N 2.75Å; Y446-V497 HydrophobicContact CD2-CG2 4.46Å |
| 447 | E | 95.7 | Very high | 88.9 | Confident | 92 Ų | 92 | 48.5 Ų | 48.5 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 135.7 | 170.3 | -170.2 | 172.5 | 173.1 | 0 | 0 | 109.3 | P449 R471 Y494 | E447-P449 WeakPolarHBondContact O-CD 3.43Å; E447-R471 HydrophobicContact CB-CB 4.49Å; E447-R471 IonicContact OE2-NE 2.56Å; E447-Y494 HydrophobicContact CB-CD1 4.07Å; E447-Y494 HydrophobicContact CB-CE1 4.02Å; E447-Y494 HydrophobicContact CG-CD1 4.33Å; E447-Y494 HydrophobicContact CG-CE1 3.96Å |
| 448 | V | 92 | Very high | 88.4 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 123.9 | 176.8 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | L452 V453 E493 V495 | V448-L452 HydrophobicContact CG1-CB 3.72Å; V448-V453 HydrophobicContact CG1-CG2 4.08Å; V448-E493 HydrophobicContact CB-CB 3.93Å; V448-E493 WeakPolarHBondContact CB-O 3.37Å; V448-E493 HydrophobicContact CG2-CB 3.87Å; V448-E493 WeakPolarHBondContact CG2-O 3.35Å; V448-E493 PolarHBondContact N-O 3.11Å; V448-V495 HydrophobicContact CG2-CG2 3.66Å |
| 449 | P | 90 | Very high | 88.2 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 148.3 | 177 | -22.5 | 31.2 | 0 | 0 | 0 | 111.2 | E447 E451 L452 V453 F464 | E447-P449 WeakPolarHBondContact O-CD 3.43Å; P449-E451 PolarHBondContact O-N 3.32Å; P449-L452 HydrophobicContact CG-CD1 4.48Å; P449-L452 PolarHBondContact O-N 2.83Å; P449-V453 PolarHBondContact O-N 2.77Å; P449-F464 HydrophobicContact CG-CE2 3.76Å |
| 450 | P | 86.8 | Confident | 88 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 76% | 0.76 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -32.7 | -178.9 | -28.4 | 34.9 | 0 | 0 | 0 | 114.4 | L452 V453 | P450-L452 VanDerWaalsContact C-N 3.26Å; P450-L452 PolarHBondContact O-N 2.9Å; P450-V453 PolarHBondContact O-N 2.93Å |
| 451 | E | 86.1 | Confident | 87.6 | Confident | 159 Ų | 159 | 47.2 Ų | 47.2 | 74% | 0.743 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.6 | 179.3 | -61.3 | 146.3 | -150.4 | 0 | 0 | 113.5 | P449 Q455 | P449-E451 PolarHBondContact O-N 3.32Å; E451-Q455 PolarHBondContact O-NE2 2.98Å |
| 452 | L | 83.2 | Confident | 87.3 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 29% | 0.288 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -7.3 | -175.7 | -63.9 | 179.7 | 0 | 0 | 0 | 112.9 | V448 P449 P450 G454 Q455 L460 | V448-L452 HydrophobicContact CG1-CB 3.72Å; P449-L452 HydrophobicContact CG-CD1 4.48Å; P449-L452 PolarHBondContact O-N 2.83Å; P450-L452 VanDerWaalsContact C-N 3.26Å; P450-L452 PolarHBondContact O-N 2.9Å; L452-G454 PolarHBondContact O-N 3.11Å; L452-Q455 WeakPolarHBondContact O-CB 3.36Å; L452-Q455 PolarHBondContact O-N 2.87Å; L452-Q455 VanDerWaalsContact O-N 3.17Å; L452-L460 HydrophobicContact CD1-CD2 4.11Å |
| 453 | V | 82.3 | Confident | 87 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 132.5 | -179.8 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | V448 P449 P450 Q455 E493 | V448-V453 HydrophobicContact CG1-CG2 4.08Å; P449-V453 PolarHBondContact O-N 2.77Å; P450-V453 PolarHBondContact O-N 2.93Å; V453-Q455 PolarHBondContact O-N 3.26Å; V453-E493 HydrophobicContact CG1-CG 4.44Å |
| 454 | G | 75.8 | Confident | 86.8 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 61% | 0.608 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | -1.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L452 E493 | L452-G454 PolarHBondContact O-N 3.11Å; G454-E493 PolarHBondContact N-OE2 2.72Å |
| 455 | Q | 75.3 | Confident | 86.7 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | trans | -67.6 | 153.4 | 171.2 | -67.4 | -163.7 | 19.4 | 0 | 0 | 111.1 | E451 L452 V453 | E451-Q455 PolarHBondContact O-NE2 2.98Å; L452-Q455 WeakPolarHBondContact O-CB 3.36Å; L452-Q455 PolarHBondContact O-N 2.87Å; L452-Q455 VanDerWaalsContact O-N 3.17Å; V453-Q455 PolarHBondContact O-N 3.26Å | ||
| 456 | P | 68.9 | Low | 86.6 | Confident | 96 Ų | 96 | 63 Ų | 63 | 62% | 0.623 | 35% | 0.346 | S | S | * | . | trans | -55.6 | 152.9 | 174.6 | -8.8 | 14.8 | 0 | 0 | 0 | 110.8 | L458 | P456-L458 PolarHBondContact O-N 2.85Š| ||
| 457 | A | 69.1 | Low | 86.5 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | trans | -53.9 | 99.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L524 | A457-L524 HydrophobicContact CB-CD2 3.74Š| ||
| 458 | L | 78.7 | Confident | 86.4 | Confident | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.356 | 37% | 0.371 | S | S | . | . | trans | -114.2 | 137.4 | 178.2 | -82.5 | 155.4 | 0 | 0 | 0 | 108.1 | P456 L460 | P456-L458 PolarHBondContact O-N 2.85Å; L458-L460 PolarHBondContact O-N 2.7Å | ||
| 459 | H | 87.7 | Confident | 86.6 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 4% | 0.042 | 40% | 0.402 | C | S | . | . | trans | -72.3 | 114.2 | 177.6 | -171 | 99.6 | 0 | 0 | 0 | 110 | W392 N394 Q396 K461 D526 R641 | W392-H459 PolarHBondContact O-NE2 2.58Å; N394-H459 PolarHBondContact O-CE1 3.47Å; Q396-H459 PolarHBondContact NE2-CE1 3.16Å; Q396-H459 PolarHBondContact NE2-NE2 3.03Å; Q396-H459 VanDerWaalsContact NE2-NE2 3.14Å; H459-K461 WeakPolarHBondContact O-CD 3.35Å; H459-K461 WeakPolarHBondContact O-CE 3.47Å; H459-D526 WeakPolarHBondContact CB-OD2 3.01Å; H459-D526 PolarHBondContact N-OD1 2.75Å; H459-R641 VanDerWaalsContact CB-NH2 3.33Å; H459-R641 PolarHBondContact CD2-NH1 3.42Å; H459-R641 PolarHBondContact CD2-NH2 3.41Å; H459-R641 PolarHBondContact CE1-NH1 3.44Å; H459-R641 VanDerWaalsContact CE1-NH1 3.25Å; H459-R641 PolarHBondContact ND1-NH2 2.87Å; H459-R641 PolarHBondContact NE2-NH1 3.04Å; H459-R641 VanDerWaalsContact NE2-NH1 3.15Å | ||
| 460 | L | 91 | Very high | 86.9 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.131 | 41% | 0.41 | C | S | . | . | trans | -68.5 | 135.1 | -177.7 | -57.5 | 179.8 | 0 | 0 | 0 | 110.7 | Q396 L452 L458 F464 F465 V495 | Q396-L460 PolarHBondContact NE2-O 3.28Å; Q396-L460 VanDerWaalsContact OE1-CB 3.26Å; L452-L460 HydrophobicContact CD1-CD2 4.11Å; L458-L460 PolarHBondContact O-N 2.7Å; L460-F464 HydrophobicContact CB-CB 4.32Å; L460-F464 HydrophobicContact CB-CD1 4.08Å; L460-F464 HydrophobicContact CB-CG 4.19Å; L460-F464 HydrophobicContact CD1-CD1 3.65Å; L460-F464 HydrophobicContact CD1-CD2 4.21Å; L460-F464 HydrophobicContact CD1-CE1 3.53Å; L460-F464 HydrophobicContact CD1-CE2 4.09Å; L460-F464 HydrophobicContact CD1-CG 4Å; L460-F464 HydrophobicContact CD1-CZ 3.76Å; L460-F464 HydrophobicContact CG-CD1 4.44Å; L460-F465 HydrophobicContact CB-CE2 4Å; L460-F465 HydrophobicContact CB-CZ 3.99Å; L460-V495 HydrophobicContact CD1-CB 4.26Å; L460-V495 HydrophobicContact CD1-CG1 4.21Å; L460-V495 HydrophobicContact CD1-CG2 3.73Å | ||
| 461 | K | 89.8 | Confident | 87.3 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 29% | 0.291 | 40% | 0.399 | S | S | . | . | trans | -94.2 | 173.7 | -174.8 | -51.1 | -58.1 | -175.8 | -175.8 | 0 | 111.5 | W392 H459 D463 F464 F465 D526 E645 | W392-K461 HydrophobicContact CE3-CB 4.49Å; W392-K461 HydrophobicContact CE3-CD 4.05Å; W392-K461 HydrophobicContact CZ3-CD 3.72Å; H459-K461 WeakPolarHBondContact O-CD 3.35Å; H459-K461 WeakPolarHBondContact O-CE 3.47Å; K461-D463 VanDerWaalsContact C-N 3.28Å; K461-D463 PolarHBondContact O-N 2.9Å; K461-D463 VanDerWaalsContact O-N 3.15Å; K461-F464 WeakPolarHBondContact O-CB 3.47Å; K461-F464 PolarHBondContact O-N 2.69Å; K461-F465 WeakPolarHBondContact O-CD2 3.44Å; K461-D526 IonicContact NZ-OD2 3.31Å; K461-E645 IonicContact NZ-OE1 3.84Å; K461-E645 PolarHBondContact NZ-OE1 2.79Å; K461-E645 IonicContact NZ-OE2 2.69Å; K461-E645 PolarHBondContact NZ-OE2 3.25Å | ||
| 462 | R | 92.2 | Very high | 87.7 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 44% | 0.438 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -45.1 | -48.6 | -177 | -172.4 | -175.2 | 66.1 | -170.5 | -2.8 | 114.1 | W392 F464 F465 L466 | W392-R462 HydrophobicContact CD2-CB 4.34Å; W392-R462 HydrophobicContact CG-CB 3.9Å; R462-F464 VanDerWaalsContact C-N 3.26Å; R462-F464 PolarHBondContact O-N 2.9Å; R462-F465 PolarHBondContact O-N 3.18Å; R462-F465 VanDerWaalsContact O-N 3.11Å; R462-L466 HydrophobicContact CG-CD1 3.95Å; R462-L466 HydrophobicContact CG-CG 4.3Å; R462-L466 PolarHBondContact O-N 3Å; R462-L466 VanDerWaalsContact O-N 3.13Å |
| 463 | D | 92 | Very high | 88.3 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 54% | 0.54 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.6 | -29.8 | -169.8 | -60 | -15.8 | 0 | 0 | 0 | 112.1 | K461 F465 L466 A467 | K461-D463 VanDerWaalsContact C-N 3.28Å; K461-D463 PolarHBondContact O-N 2.9Å; K461-D463 VanDerWaalsContact O-N 3.15Å; D463-F465 PolarHBondContact O-N 2.81Å; D463-L466 PolarHBondContact O-N 2.96Å; D463-A467 WeakPolarHBondContact O-CB 3.38Å; D463-A467 PolarHBondContact O-N 3.02Å |
| 464 | F | 93.8 | Very high | 88.9 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 11% | 0.114 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.2 | -51.2 | 171.7 | 172.4 | -93.5 | 0 | 0 | 0 | 111.3 | Y446 P449 L460 K461 R462 L466 A467 N468 | Y446-F464 HydrophobicContact CD1-CE1 4.26Å; Y446-F464 HydrophobicContact CG-CE1 4.17Å; P449-F464 HydrophobicContact CG-CE2 3.76Å; L460-F464 HydrophobicContact CB-CB 4.32Å; L460-F464 HydrophobicContact CB-CD1 4.08Å; L460-F464 HydrophobicContact CB-CG 4.19Å; L460-F464 HydrophobicContact CD1-CD1 3.65Å; L460-F464 HydrophobicContact CD1-CD2 4.21Å; L460-F464 HydrophobicContact CD1-CE1 3.53Å; L460-F464 HydrophobicContact CD1-CE2 4.09Å; L460-F464 HydrophobicContact CD1-CG 4Å; L460-F464 HydrophobicContact CD1-CZ 3.76Å; L460-F464 HydrophobicContact CG-CD1 4.44Å; K461-F464 WeakPolarHBondContact O-CB 3.47Å; K461-F464 PolarHBondContact O-N 2.69Å; R462-F464 VanDerWaalsContact C-N 3.26Å; R462-F464 PolarHBondContact O-N 2.9Å; F464-L466 VanDerWaalsContact C-N 3.28Å; F464-L466 PolarHBondContact O-N 3.13Å; F464-A467 PolarHBondContact O-N 2.77Å; F464-N468 WeakPolarHBondContact CD2-ND2 3.29Å; F464-N468 HydrophobicContact CE1-CB 4.47Å; F464-N468 HydrophobicContact CE2-CB 4.47Å; F464-N468 WeakPolarHBondContact CE2-ND2 3.34Å; F464-N468 HydrophobicContact CZ-CB 4.25Å; F464-N468 WeakPolarHBondContact O-CB 3.41Å; F464-N468 PolarHBondContact O-N 2.84Å; F464-N468 PolarHBondContact O-ND2 2.89Å |
| 465 | F | 95.7 | Very high | 89.4 | Confident | 5 Ų | 5 | 69.6 Ų | 69.6 | 2% | 0.022 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.9 | -25 | -176.8 | -61.2 | -71.5 | 0 | 0 | 0 | 112.6 | R385 F391 W392 Y446 L460 K461 R462 D463 V497 | R385-F465 VanDerWaalsContact CZ-O 3.25Å; R385-F465 PolarHBondContact NE-O 3.1Å; R385-F465 VanDerWaalsContact NE-O 3.16Å; R385-F465 PolarHBondContact NH2-O 2.87Å; F391-F465 HydrophobicContact CD1-CB 4.15Å; F391-F465 HydrophobicContact CD1-CD1 4.06Å; F391-F465 HydrophobicContact CD1-CD2 4.31Å; F391-F465 AromaticContact CD1-CG 3.9Å; F391-F465 HydrophobicContact CD1-CG 3.9Å; F391-F465 HydrophobicContact CE1-CB 4.39Å; F391-F465 AromaticContact CE1-CD1 3.57Å; F391-F465 HydrophobicContact CE1-CD1 3.57Å; F391-F465 AromaticContact CE1-CE1 3.91Å; F391-F465 HydrophobicContact CE1-CE1 3.91Å; F391-F465 AromaticContact CE1-CG 3.92Å; F391-F465 HydrophobicContact CE1-CG 3.92Å; W392-F465 HydrophobicContact CB-CD2 3.54Å; W392-F465 HydrophobicContact CB-CE2 3.63Å; Y446-F465 HydrophobicContact CD1-CD1 4.43Å; Y446-F465 HydrophobicContact CD2-CD1 4.12Å; Y446-F465 AromaticContact CD2-CE1 3.97Å; Y446-F465 HydrophobicContact CD2-CE1 3.97Å; Y446-F465 HydrophobicContact CE1-CD1 4.17Å; Y446-F465 AromaticContact CE2-CD1 3.84Å; Y446-F465 HydrophobicContact CE2-CD1 3.84Å; Y446-F465 HydrophobicContact CE2-CE1 4Å; Y446-F465 HydrophobicContact CG-CD1 4.42Å; Y446-F465 HydrophobicContact CG-CE1 4.43Å; Y446-F465 AromaticContact CZ-CD1 3.88Å; L460-F465 HydrophobicContact CB-CE2 4Å; L460-F465 HydrophobicContact CB-CZ 3.99Å; K461-F465 WeakPolarHBondContact O-CD2 3.44Å; R462-F465 PolarHBondContact O-N 3.18Å; R462-F465 VanDerWaalsContact O-N 3.11Å; D463-F465 PolarHBondContact O-N 2.81Å; F465-V497 HydrophobicContact CE1-CG2 3.73Å; F465-V497 HydrophobicContact CZ-CG2 3.92Å |
| 466 | L | 95.2 | Very high | 90.1 | Very high | 93 Ų | 93 | 71.8 Ų | 71.8 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.2 | -37.2 | 171.9 | -69.6 | 177.8 | 0 | 0 | 0 | 112 | P388 R462 D463 F464 | P388-L466 HydrophobicContact CB-CD2 3.79Å; R462-L466 HydrophobicContact CG-CD1 3.95Å; R462-L466 HydrophobicContact CG-CG 4.3Å; R462-L466 PolarHBondContact O-N 3Å; R462-L466 VanDerWaalsContact O-N 3.13Å; D463-L466 PolarHBondContact O-N 2.96Å; F464-L466 VanDerWaalsContact C-N 3.28Å; F464-L466 PolarHBondContact O-N 3.13Å |
| 467 | A | 94.8 | Very high | 91.3 | Very high | 83 Ų | 83 | 70 Ų | 70 | 69% | 0.686 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -82.9 | -26.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | D463 F464 | D463-A467 WeakPolarHBondContact O-CB 3.38Å; D463-A467 PolarHBondContact O-N 3.02Å; F464-A467 PolarHBondContact O-N 2.77Å |
| 468 | N | 94.9 | Very high | 92.5 | Very high | 55 Ų | 55 | 70.4 Ų | 70.4 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | trans | -112 | 141.8 | -172.6 | -64.9 | -82.1 | 0 | 0 | 0 | 112.6 | Y446 F464 | Y446-N468 HydrophobicContact CD1-CB 4.29Å; Y446-N468 WeakPolarHBondContact CE1-O 3.31Å; F464-N468 WeakPolarHBondContact CD2-ND2 3.29Å; F464-N468 HydrophobicContact CE1-CB 4.47Å; F464-N468 HydrophobicContact CE2-CB 4.47Å; F464-N468 WeakPolarHBondContact CE2-ND2 3.34Å; F464-N468 HydrophobicContact CZ-CB 4.25Å; F464-N468 WeakPolarHBondContact O-CB 3.41Å; F464-N468 PolarHBondContact O-N 2.84Å; F464-N468 PolarHBondContact O-ND2 2.89Å | ||
| 469 | A | 95.5 | Very high | 93.1 | Very high | 90 Ų | 90 | 71.6 Ų | 71.6 | 74% | 0.744 | 36% | 0.363 | S | S | * | . | trans | -88.5 | 150.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y446 R471 | Y446-A469 WeakPolarHBondContact CD1-O 3.47Å; A469-R471 PolarHBondContact O-N 3.06Å | ||
| 470 | S | 96.2 | Very high | 93.3 | Very high | 43 Ų | 43 | 73.8 Ų | 73.8 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 130.1 | 172.9 | 58.1 | 0 | 0 | 0 | 0 | 110 | V445 | V445-S470 CarbonylContact O-C 3.47Å; V445-S470 WeakPolarHBondContact O-CA 3.39Å |
| 471 | R | 95.5 | Very high | 93.5 | Very high | 142 Ų | 142 | 73 Ų | 73 | 54% | 0.536 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -36.3 | 173.3 | -170.4 | 72.2 | 179.5 | -178.2 | 1.4 | 111.7 | V445 E447 A469 L489 Y494 | V445-R471 PolarHBondContact O-N 3.35Å; E447-R471 HydrophobicContact CB-CB 4.49Å; E447-R471 IonicContact OE2-NE 2.56Å; A469-R471 PolarHBondContact O-N 3.06Å; R471-L489 HydrophobicContact CG-CD2 3.95Å; R471-Y494 HydrophobicContact CG-CE1 4.14Å |
| 472 | A | 94.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 70.5 Ų | 70.5 | 12% | 0.116 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 166.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V445 F487 L489 | V445-A472 WeakPolarHBondContact CA-O 3.36Å; V445-A472 HydrophobicContact CB-CB 4.03Å; V445-A472 WeakPolarHBondContact CB-O 3.48Å; V445-A472 HydrophobicContact CG2-CB 4.29Å; V445-A472 PolarHBondContact N-O 2.8Å; V445-A472 PolarHBondContact O-N 3.25Å; V445-A472 VanDerWaalsContact O-O 3.12Å; A472-F487 HydrophobicContact CB-CD1 3.66Å; A472-F487 HydrophobicContact CB-CE1 3.67Å; A472-F487 HydrophobicContact CB-CG 4.28Å; A472-F487 HydrophobicContact CB-CZ 4.29Å; A472-L489 HydrophobicContact CB-CD2 4.43Å |
| 473 | R | 95.6 | Very high | 93.8 | Very high | 167 Ų | 167 | 65.5 Ų | 65.5 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 161 | 178.5 | 57.5 | -176.3 | -178.7 | -171.4 | 0.9 | 109.7 | F443 E475 F487 | F443-R473 WeakPolarHBondContact O-CA 3.04Å; F443-R473 WeakPolarHBondContact O-CB 3.27Å; R473-E475 PolarHBondContact O-N 2.87Å; R473-F487 WeakPolarHBondContact O-CE1 3.42Å; R473-F487 WeakPolarHBondContact O-CZ 3.22Å |
| 474 | S | 93.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | trans | -56.4 | 139.9 | 166.1 | 59.2 | 0 | 0 | 0 | 0 | 109.4 | G442 F443 Q476 | G442-S474 WeakPolarHBondContact CA-OG 3.31Å; F443-S474 PolarHBondContact N-OG 2.81Å; F443-S474 VanDerWaalsContact N-OG 3.12Å; F443-S474 PolarHBondContact O-N 3.01Å; F443-S474 PolarHBondContact O-OG 2.58Å; S474-Q476 PolarHBondContact O-N 2.89Å; S474-Q476 PolarHBondContact OG-O 2.73Å | ||
| 475 | E | 86.9 | Confident | 93.8 | Very high | 143 Ų | 143 | 60.9 Ų | 60.9 | 67% | 0.668 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -56.7 | -40.2 | -175.2 | -65.8 | -169.5 | 168.2 | 0 | 0 | 112.1 | R473 T485 | R473-E475 PolarHBondContact O-N 2.87Å; E475-T485 HydrophobicContact CG-CG2 4.47Å |
| 476 | Q | 89.2 | Confident | 93.4 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 59% | 0.589 | 34% | 0.335 | S | S | * | . | trans | -139.5 | 155.4 | 177.1 | -60.9 | -176.1 | 1 | 0 | 0 | 110.1 | S474 | S474-Q476 PolarHBondContact O-N 2.89Å; S474-Q476 PolarHBondContact OG-O 2.73Å | ||
| 477 | F | 95.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 61.5 Ų | 61.5 | 26% | 0.263 | 32% | 0.316 | S | S | . | . | trans | -86.6 | 119.6 | 159.8 | -91.2 | -107.1 | 0 | 0 | 0 | 107 | C384 T440 I441 S499 F501 | C384-F477 HydrophobicContact CB-CD1 4.44Å; C384-F477 HydrophobicContact CB-CE1 3.69Å; C384-F477 HydrophobicContact CB-CE2 4.18Å; C384-F477 HydrophobicContact CB-CZ 3.55Å; T440-F477 VanDerWaalsContact CG2-C 3.44Å; T440-F477 HydrophobicContact CG2-CB 3.84Å; T440-F477 WeakPolarHBondContact CG2-O 3.13Å; I441-F477 VanDerWaalsContact C-CD1 3.48Å; I441-F477 WeakPolarHBondContact O-CA 3.27Å; F477-S499 WeakPolarHBondContact CE1-O 3.36Å; F477-S499 WeakPolarHBondContact CZ-OG 3.42Å; F477-F501 HydrophobicContact CB-CB 4.47Å; F477-F501 HydrophobicContact CB-CD2 3.82Å; F477-F501 HydrophobicContact CD1-CB 3.82Å; F477-F501 HydrophobicContact CD1-CD2 4Å; F477-F501 HydrophobicContact CD1-CG 4.44Å; F477-F501 HydrophobicContact CG-CB 4.46Å; F477-F501 AromaticContact CG-CD2 3.9Å; F477-F501 HydrophobicContact CG-CD2 3.9Å | ||
| 478 | I | 93.5 | Very high | 93 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 22% | 0.221 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -137.7 | 149.9 | -171.5 | -165.5 | 170.8 | 0 | 0 | 0 | 110.8 | I441 L480 V483 | I441-I478 PolarHBondContact N-O 2.97Å; I441-I478 PolarHBondContact O-N 3.46Å; I441-I478 VanDerWaalsContact O-N 3.09Å; I478-L480 HydrophobicContact CD1-CD1 3.92Å; I478-L480 HydrophobicContact CD1-CG 3.99Å; I478-L480 HydrophobicContact CG1-CD1 4.43Å; I478-L480 HydrophobicContact CG1-CG 4.04Å; I478-L480 HydrophobicContact CG2-CB 4.21Å; I478-L480 HydrophobicContact CG2-CD1 4.08Å; I478-L480 HydrophobicContact CG2-CG 4.03Å; I478-L480 PolarHBondContact O-N 2.73Å; I478-L480 VanDerWaalsContact O-N 3.14Å; I478-V483 HydrophobicContact CG2-CG2 3.44Å; I478-V483 VanDerWaalsContact CG2-CG2 3.44Å |
| 479 | N | 92.3 | Very high | 92.9 | Very high | 92 Ų | 92 | 59.7 Ų | 59.7 | 49% | 0.492 | 29% | 0.289 | S | S | . | . | trans | -85.2 | 50.9 | 178.7 | 61.7 | -32.7 | 0 | 0 | 0 | 112 | M438 | M438-N479 HydrophobicContact CB-CB 4.41Å; M438-N479 WeakPolarHBondContact CB-O 3.31Å | ||
| 480 | L | 91.7 | Very high | 92.9 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -101.1 | 163.6 | 171 | -66.7 | 179.8 | 0 | 0 | 0 | 110.7 | Q425 I478 E482 | Q425-L480 PolarHBondContact NE2-O 3Å; I478-L480 HydrophobicContact CD1-CD1 3.92Å; I478-L480 HydrophobicContact CD1-CG 3.99Å; I478-L480 HydrophobicContact CG1-CD1 4.43Å; I478-L480 HydrophobicContact CG1-CG 4.04Å; I478-L480 HydrophobicContact CG2-CB 4.21Å; I478-L480 HydrophobicContact CG2-CD1 4.08Å; I478-L480 HydrophobicContact CG2-CG 4.03Å; I478-L480 PolarHBondContact O-N 2.73Å; I478-L480 VanDerWaalsContact O-N 3.14Å; L480-E482 WeakPolarHBondContact CB-O 3.45Å |
| 481 | R | 95 | Very high | 92.8 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -62.2 | -44.7 | 174.4 | -168.3 | -179.3 | 78.3 | 161.9 | 14 | 111.8 | E212 E215 D216 M424 Q425 M438 | E212-R481 HydrophobicContact CG-CB 3.91Å; E212-R481 PolarHBondContact O-NH2 2.84Å; E212-R481 WeakPolarHBondContact OE2-CD 3.43Å; E212-R481 IonicContact OE2-NE 3.22Å; E215-R481 VanDerWaalsContact CB-NH2 3.32Å; E215-R481 IonicContact OE2-CZ 3.04Å; E215-R481 IonicContact OE2-NE 3.06Å; E215-R481 IonicContact OE2-NH2 2.84Å; E215-R481 PolarHBondContact OE2-NH2 3.36Å; D216-R481 IonicContact OD1-CZ 3.36Å; D216-R481 VanDerWaalsContact OD1-CZ 3.25Å; D216-R481 IonicContact OD1-NH1 3.8Å; D216-R481 PolarHBondContact OD1-NH1 2.75Å; D216-R481 IonicContact OD1-NH2 3.67Å; D216-R481 PolarHBondContact OD1-NH2 2.83Å; D216-R481 IonicContact OD2-CZ 2.99Å; D216-R481 IonicContact OD2-NH1 3.99Å; D216-R481 PolarHBondContact OD2-NH1 2.94Å; M424-R481 CarbonylContact C-O 3.51Å; M424-R481 VanDerWaalsContact CA-O 3.32Å; M424-R481 WeakPolarHBondContact CA-O 3.47Å; M424-R481 HydrophobicContact CG-CG 4.16Å; Q425-R481 WeakPolarHBondContact CG-O 3.38Å; Q425-R481 PolarHBondContact N-O 3.49Å; M438-R481 HydrophobicContact CE-CB 3.72Å; M438-R481 HydrophobicContact CE-CG 3.92Å; M438-R481 HydrophobicContact SD-CB 4.1Å; M438-R481 HydrophobicContact SD-CG 4.37Å |
| 482 | E | 95 | Very high | 92.8 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.1 | 175.5 | 178.1 | 161.8 | 114.5 | 0 | 0 | 110.5 | A422 L423 M424 L480 R512 | A422-E482 HydrophobicContact CB-CG 4.35Å; A422-E482 WeakPolarHBondContact CB-OE1 3.29Å; L423-E482 CarbonylContact O-C 3.52Å; L423-E482 VanDerWaalsContact O-CA 3.3Å; L423-E482 WeakPolarHBondContact O-CA 3.18Å; M424-E482 HydrophobicContact CB-CB 4.19Å; M424-E482 HydrophobicContact CB-CG 4.38Å; M424-E482 HydrophobicContact CE-CB 4.22Å; M424-E482 WeakPolarHBondContact CE-OE2 3.38Å; M424-E482 HydrophobicContact CG-CB 4.24Å; L480-E482 WeakPolarHBondContact CB-O 3.45Å; E482-R512 IonicContact OE1-NH2 3.55Å; E482-R512 PolarHBondContact OE1-NH2 3.43Å; E482-R512 IonicContact OE2-CZ 3.13Å; E482-R512 IonicContact OE2-NE 3.94Å; E482-R512 PolarHBondContact OE2-NE 3.08Å; E482-R512 IonicContact OE2-NH2 2.66Å; E482-R512 PolarHBondContact OE2-NH2 3.1Å |
| 483 | V | 94.1 | Very high | 92.8 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.8 | 165.2 | 177.9 | 0 | 0 | 0 | 0 | 107.2 | L423 I441 F443 I478 | L423-V483 PolarHBondContact N-O 3.33Å; L423-V483 PolarHBondContact O-N 3.14Å; I441-V483 HydrophobicContact CD1-CG2 4.24Å; I441-V483 HydrophobicContact CG1-CG2 3.76Å; F443-V483 HydrophobicContact CE1-CG1 4.22Å; F443-V483 WeakPolarHBondContact CE1-O 3.36Å; I478-V483 HydrophobicContact CG2-CG2 3.44Å; I478-V483 VanDerWaalsContact CG2-CG2 3.44Å |
| 484 | S | 93.6 | Very high | 92.8 | Very high | 11 Ų | 11 | 46 Ų | 46 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.2 | 177.5 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | T222 L421 | T222-S484 VanDerWaalsContact O-CB 3.26Å; T222-S484 WeakPolarHBondContact O-CB 3.05Å; T222-S484 PolarHBondContact O-OG 3.31Å; L421-S484 CarbonylContact O-C 3.57Å; L421-S484 VanDerWaalsContact O-CA 3.26Å; L421-S484 WeakPolarHBondContact O-CA 3.37Å |
| 485 | T | 90.9 | Very high | 92.9 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 133.9 | 174.1 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | L421 E475 F487 | L421-T485 PolarHBondContact N-O 2.8Å; L421-T485 PolarHBondContact O-N 2.72Å; E475-T485 HydrophobicContact CG-CG2 4.47Å; T485-F487 HydrophobicContact CG2-CD1 4.21Å; T485-F487 HydrophobicContact CG2-CE1 3.47Å; T485-F487 VanDerWaalsContact CG2-CE1 3.47Å; T485-F487 HydrophobicContact CG2-CE2 4.03Å; T485-F487 HydrophobicContact CG2-CZ 3.36Å |
| 486 | R | 88.8 | Confident | 93.4 | Very high | 89 Ų | 89 | 39.1 Ų | 39.1 | 34% | 0.336 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.3 | 171.5 | 176.6 | 175.1 | -67.8 | -74.6 | -3.6 | 109.7 | E223 W366 V420 | E223-R486 IonicContact OE1-CZ 3.48Å; E223-R486 IonicContact OE1-NE 2.98Å; E223-R486 IonicContact OE1-NH2 2.96Å; E223-R486 PolarHBondContact OE1-NH2 3.16Å; E223-R486 IonicContact OE2-CZ 2.64Å; E223-R486 IonicContact OE2-NE 3.78Å; E223-R486 PolarHBondContact OE2-NE 2.85Å; E223-R486 IonicContact OE2-NH2 3.61Å; E223-R486 PolarHBondContact OE2-NH2 2.97Å; W366-R486 VanDerWaalsContact CH2-NH1 3.29Å; V420-R486 HydrophobicContact CG2-CB 4.25Å; V420-R486 HydrophobicContact CG2-CG 4.48Å |
| 487 | F | 90 | Very high | 93.8 | Very high | 22 Ų | 22 | 33.1 Ų | 33.1 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 153.7 | 173.9 | -61.1 | -63.8 | 0 | 0 | 0 | 111 | S418 F419 L421 F443 V445 A472 R473 T485 L489 | S418-F487 WeakPolarHBondContact CA-O 3.33Å; F419-F487 HydrophobicContact CD1-CB 4.18Å; F419-F487 HydrophobicContact CD2-CD2 4.49Å; F419-F487 HydrophobicContact CE1-CB 3.6Å; F419-F487 HydrophobicContact CE2-CB 4.2Å; F419-F487 AromaticContact CE2-CD2 3.74Å; F419-F487 HydrophobicContact CE2-CD2 3.74Å; F419-F487 HydrophobicContact CE2-CG 4.42Å; F419-F487 HydrophobicContact CZ-CB 3.62Å; F419-F487 AromaticContact CZ-CD2 3.8Å; F419-F487 HydrophobicContact CZ-CD2 3.8Å; F419-F487 HydrophobicContact CZ-CG 4.07Å; F419-F487 PolarHBondContact N-O 3.14Å; F419-F487 PolarHBondContact O-N 2.98Å; L421-F487 HydrophobicContact CB-CD2 4.26Å; L421-F487 HydrophobicContact CB-CE2 4.03Å; L421-F487 HydrophobicContact CD2-CE2 4.35Å; F443-F487 AromaticContact CE2-CE2 3.53Å; F443-F487 HydrophobicContact CE2-CE2 3.53Å; F443-F487 AromaticContact CE2-CZ 3.66Å; F443-F487 HydrophobicContact CE2-CZ 3.66Å; F443-F487 HydrophobicContact CZ-CE2 4.05Å; F443-F487 HydrophobicContact CZ-CZ 4.28Å; V445-F487 HydrophobicContact CG2-CE2 4.44Å; A472-F487 HydrophobicContact CB-CD1 3.66Å; A472-F487 HydrophobicContact CB-CE1 3.67Å; A472-F487 HydrophobicContact CB-CG 4.28Å; A472-F487 HydrophobicContact CB-CZ 4.29Å; R473-F487 WeakPolarHBondContact O-CE1 3.42Å; R473-F487 WeakPolarHBondContact O-CZ 3.22Å; T485-F487 HydrophobicContact CG2-CD1 4.21Å; T485-F487 HydrophobicContact CG2-CE1 3.47Å; T485-F487 VanDerWaalsContact CG2-CE1 3.47Å; T485-F487 HydrophobicContact CG2-CE2 4.03Å; T485-F487 HydrophobicContact CG2-CZ 3.36Å; F487-L489 HydrophobicContact CB-CG 4.42Å |
| 488 | R | 89.7 | Confident | 94 | Very high | 88 Ų | 88 | 30.2 Ų | 30.2 | 33% | 0.332 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 111 | 166.5 | -172.1 | 175.8 | -177.3 | 89.8 | -0.3 | 106.8 | D405 E414 C417 S418 | D405-R488 IonicContact OD2-CZ 3.76Å; D405-R488 IonicContact OD2-NH1 3.4Å; D405-R488 PolarHBondContact OD2-NH1 2.81Å; E414-R488 PolarHBondContact O-NE 2.94Å; E414-R488 PolarHBondContact O-NH2 2.94Å; C417-R488 WeakPolarHBondContact O-CA 3.44Å; S418-R488 PolarHBondContact OG-NH1 3.32Å |
| 489 | L | 94.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.3 | -177.2 | -64.8 | 179.7 | 0 | 0 | 0 | 110 | L401 C417 F419 V445 R471 A472 F487 Y494 | L401-L489 HydrophobicContact CD1-CB 4.05Å; C417-L489 WeakPolarHBondContact CB-O 3.5Å; C417-L489 PolarHBondContact N-O 3.16Å; C417-L489 PolarHBondContact O-N 3.48Å; C417-L489 VanDerWaalsContact O-N 3.16Å; F419-L489 HydrophobicContact CE1-CB 4.35Å; F419-L489 HydrophobicContact CE1-CD1 3.8Å; F419-L489 HydrophobicContact CE1-CG 4.01Å; F419-L489 HydrophobicContact CZ-CD1 3.86Å; F419-L489 HydrophobicContact CZ-CG 4.48Å; V445-L489 HydrophobicContact CG1-CD1 4.31Å; R471-L489 HydrophobicContact CG-CD2 3.95Å; A472-L489 HydrophobicContact CB-CD2 4.43Å; F487-L489 HydrophobicContact CB-CG 4.42Å; L489-Y494 HydrophobicContact CB-CE1 4.4Å; L489-Y494 HydrophobicContact CB-CE2 4.12Å; L489-Y494 HydrophobicContact CD1-CD1 3.88Å; L489-Y494 HydrophobicContact CD1-CD2 4.28Å; L489-Y494 HydrophobicContact CD1-CE1 3.77Å; L489-Y494 HydrophobicContact CD1-CE2 4.18Å; L489-Y494 HydrophobicContact CD1-CG 4.14Å |
| 490 | P | 94.7 | Very high | 94.5 | Very high | 58 Ų | 58 | 23.9 Ų | 23.9 | 38% | 0.377 | 13% | 0.126 | S | C | . | . | trans | -58.6 | 157.5 | 170.1 | -22.2 | 33.3 | 0 | 0 | 0 | 111.7 | G492 Y494 | P490-G492 PolarHBondContact O-N 2.95Å; P490-Y494 WeakPolarHBondContact O-CE2 3.41Å; P490-Y494 PolarHBondContact O-OH 2.86Å | ||
| 491 | P | 95.3 | Very high | 94.8 | Very high | 69 Ų | 69 | 24.8 Ų | 24.8 | 45% | 0.448 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -51.6 | 135.8 | 169 | -25.7 | 34.6 | 0 | 0 | 0 | 111.6 | L401 T404 | L401-P491 CarbonylContact O-C 3.56Å; L401-P491 WeakPolarHBondContact O-CA 3.49Å; L401-P491 WeakPolarHBondContact O-CB 3.17Å; T404-P491 HydrophobicContact CG2-CG 3.6Å |
| 492 | G | 94.2 | Very high | 94.9 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 27% | 0.268 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L401 P490 | L401-G492 PolarHBondContact N-O 2.81Å; L401-G492 PolarHBondContact O-N 3.05Å; P490-G492 PolarHBondContact O-N 2.95Å |
| 493 | E | 94.8 | Very high | 94.9 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.8 | 171.1 | -66.4 | -162.3 | 158.8 | 0 | 0 | 110.4 | K398 I399 R400 V448 V453 G454 | K398-E493 HydrophobicContact CD-CB 4.46Å; K398-E493 WeakPolarHBondContact CD-OE2 3.2Å; K398-E493 IonicContact NZ-OE1 3.41Å; K398-E493 PolarHBondContact NZ-OE1 3.14Å; K398-E493 VanDerWaalsContact NZ-OE1 3.1Å; K398-E493 IonicContact NZ-OE2 3.77Å; K398-E493 PolarHBondContact NZ-OE2 3.28Å; I399-E493 WeakPolarHBondContact O-CA 3.47Å; R400-E493 HydrophobicContact CB-CG 4.2Å; R400-E493 HydrophobicContact CG-CG 4.06Å; V448-E493 HydrophobicContact CB-CB 3.93Å; V448-E493 WeakPolarHBondContact CB-O 3.37Å; V448-E493 HydrophobicContact CG2-CB 3.87Å; V448-E493 WeakPolarHBondContact CG2-O 3.35Å; V448-E493 PolarHBondContact N-O 3.11Å; V453-E493 HydrophobicContact CG1-CG 4.44Å; G454-E493 PolarHBondContact N-OE2 2.72Å |
| 494 | Y | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.3 | -179.3 | -56 | -91 | 0 | 0 | 0 | 111.3 | K398 I399 L401 V445 Y446 E447 R471 L489 P490 | K398-Y494 CarbonylContact C-O 3.48Å; K398-Y494 VanDerWaalsContact CA-O 3.3Å; K398-Y494 WeakPolarHBondContact CA-O 3.3Å; I399-Y494 HydrophobicContact CG2-CD2 4.48Å; I399-Y494 PolarHBondContact N-O 3.25Å; I399-Y494 PolarHBondContact O-N 3.42Å; L401-Y494 HydrophobicContact CD1-CD2 4.01Å; L401-Y494 HydrophobicContact CD1-CE2 3.79Å; L401-Y494 HydrophobicContact CG-CD2 4.42Å; L401-Y494 HydrophobicContact CG-CE2 4.4Å; V445-Y494 HydrophobicContact CG1-CD1 4.29Å; V445-Y494 HydrophobicContact CG1-CG 4.32Å; Y446-Y494 CarbonylContact O-C 3.56Å; Y446-Y494 WeakPolarHBondContact O-CA 3.11Å; Y446-Y494 WeakPolarHBondContact O-CB 3.45Å; E447-Y494 HydrophobicContact CB-CD1 4.07Å; E447-Y494 HydrophobicContact CB-CE1 4.02Å; E447-Y494 HydrophobicContact CG-CD1 4.33Å; E447-Y494 HydrophobicContact CG-CE1 3.96Å; R471-Y494 HydrophobicContact CG-CE1 4.14Å; L489-Y494 HydrophobicContact CB-CE1 4.4Å; L489-Y494 HydrophobicContact CB-CE2 4.12Å; L489-Y494 HydrophobicContact CD1-CD1 3.88Å; L489-Y494 HydrophobicContact CD1-CD2 4.28Å; L489-Y494 HydrophobicContact CD1-CE1 3.77Å; L489-Y494 HydrophobicContact CD1-CE2 4.18Å; L489-Y494 HydrophobicContact CD1-CG 4.14Å; P490-Y494 WeakPolarHBondContact O-CE2 3.41Å; P490-Y494 PolarHBondContact O-OH 2.86Å |
| 495 | V | 96 | Very high | 94.9 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.1 | 173.9 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | Q396 F397 V445 Y446 V448 L460 V497 L524 | Q396-V495 HydrophobicContact CB-CG1 4.18Å; F397-V495 CarbonylContact O-C 3.59Å; F397-V495 WeakPolarHBondContact O-CA 3.27Å; V445-V495 CarbonylContact C-O 3.23Å; V445-V495 VanDerWaalsContact CA-O 3.29Å; V445-V495 WeakPolarHBondContact CA-O 3.47Å; Y446-V495 PolarHBondContact N-O 3.48Å; Y446-V495 PolarHBondContact O-N 2.75Å; V448-V495 HydrophobicContact CG2-CG2 3.66Å; L460-V495 HydrophobicContact CD1-CB 4.26Å; L460-V495 HydrophobicContact CD1-CG1 4.21Å; L460-V495 HydrophobicContact CD1-CG2 3.73Å; V495-V497 HydrophobicContact CG1-CG2 4.14Å; V495-L524 HydrophobicContact CB-CD1 4.17Å; V495-L524 HydrophobicContact CG1-CD1 3.71Å; V495-L524 HydrophobicContact CG2-CD1 3.49Å; V495-L524 VanDerWaalsContact CG2-CD1 3.49Å |
| 496 | V | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.2 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | F397 I399 L421 F443 A444 V445 L511 F513 | F397-V496 HydrophobicContact CB-CB 4.38Å; F397-V496 PolarHBondContact N-O 3.29Å; F397-V496 PolarHBondContact O-N 3.08Å; I399-V496 HydrophobicContact CG2-CG2 4.29Å; L421-V496 HydrophobicContact CD1-CG1 4.23Å; L421-V496 HydrophobicContact CD1-CG2 4.48Å; L421-V496 HydrophobicContact CD2-CB 4.32Å; L421-V496 HydrophobicContact CD2-CG1 3.42Å; L421-V496 VanDerWaalsContact CD2-CG1 3.42Å; L421-V496 HydrophobicContact CD2-CG2 3.91Å; L421-V496 HydrophobicContact CG-CG1 4.36Å; F443-V496 HydrophobicContact CB-CG1 4.41Å; A444-V496 WeakPolarHBondContact O-CA 3.44Å; V445-V496 HydrophobicContact CG1-CG2 4.38Å; V445-V496 HydrophobicContact CG2-CG2 4.22Å; V496-L511 HydrophobicContact CG1-CD1 4.49Å; V496-L511 HydrophobicContact CG1-CD2 4.01Å; V496-F513 HydrophobicContact CB-CZ 4.4Å; V496-F513 HydrophobicContact CG2-CE1 3.83Å; V496-F513 HydrophobicContact CG2-CZ 4.14Å |
| 497 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 97.5 | 176.6 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | F391 N394 Q396 F443 A444 Y446 F465 V495 | F391-V497 HydrophobicContact CD2-CG1 4.46Å; F391-V497 HydrophobicContact CE1-CB 4.39Å; F391-V497 HydrophobicContact CE1-CG1 4.19Å; F391-V497 HydrophobicContact CE1-CG2 4.41Å; F391-V497 HydrophobicContact CE2-CB 4.22Å; F391-V497 HydrophobicContact CE2-CG1 3.71Å; F391-V497 HydrophobicContact CZ-CB 3.69Å; F391-V497 HydrophobicContact CZ-CG1 3.56Å; F391-V497 HydrophobicContact CZ-CG2 4.15Å; N394-V497 HydrophobicContact CB-CG1 3.74Å; Q396-V497 HydrophobicContact CG-CG2 4.3Å; F443-V497 WeakPolarHBondContact CA-O 3.38Å; A444-V497 PolarHBondContact N-O 3.16Å; A444-V497 VanDerWaalsContact N-O 3.13Å; A444-V497 PolarHBondContact O-N 2.95Å; Y446-V497 HydrophobicContact CD2-CG2 4.46Å; F465-V497 HydrophobicContact CE1-CG2 3.73Å; F465-V497 HydrophobicContact CZ-CG2 3.92Å; V495-V497 HydrophobicContact CG1-CG2 4.14Å |
| 498 | P | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 136.9 | 171.4 | 31.6 | -35.9 | 0 | 0 | 0 | 111.7 | W375 P395 F397 L423 F443 F509 L511 | W375-P498 HydrophobicContact CZ2-CB 4.23Å; W375-P498 PolarHBondContact NE1-O 2.85Å; W375-P498 VanDerWaalsContact NE1-O 3.16Å; P395-P498 WeakPolarHBondContact O-CD 3.5Å; F397-P498 HydrophobicContact CD2-CG 3.99Å; F397-P498 HydrophobicContact CE2-CG 3.64Å; L423-P498 HydrophobicContact CD1-CB 3.59Å; L423-P498 HydrophobicContact CD2-CB 3.68Å; L423-P498 HydrophobicContact CG-CB 4.23Å; F443-P498 HydrophobicContact CB-CB 4.47Å; P498-F509 HydrophobicContact CB-CE2 4.19Å; P498-F509 HydrophobicContact CB-CZ 4.36Å; P498-F509 HydrophobicContact CG-CE2 3.66Å; P498-F509 HydrophobicContact CG-CZ 3.67Å; P498-L511 HydrophobicContact CG-CD2 4.36Å |
| 499 | S | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 157.9 | -177.5 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | G383 G442 F477 | G383-S499 WeakPolarHBondContact O-CB 3.45Å; G442-S499 PolarHBondContact N-O 2.77Å; G442-S499 PolarHBondContact O-N 2.72Å; F477-S499 WeakPolarHBondContact CE1-O 3.36Å; F477-S499 WeakPolarHBondContact CZ-OG 3.42Å |
| 500 | T | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 161.1 | 156.8 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | W375 G383 C384 E439 T440 I441 E502 K505 | W375-T500 HydrophobicContact CD2-CG2 4.12Å; W375-T500 HydrophobicContact CE3-CG2 3.84Å; W375-T500 HydrophobicContact CZ3-CG2 4.07Å; G383-T500 CarbonylContact C-O 3.57Å; G383-T500 VanDerWaalsContact C-O 3.23Å; G383-T500 WeakPolarHBondContact CA-O 3.41Å; C384-T500 PolarHBondContact N-O 3.16Å; E439-T500 HydrophobicContact CB-CG2 4.27Å; T440-T500 CarbonylContact O-C 3.53Å; T440-T500 WeakPolarHBondContact O-CA 3.48Å; I441-T500 HydrophobicContact CG2-CG2 4.15Å; T500-E502 PolarHBondContact OG1-O 2.56Å; T500-K505 HydrophobicContact CG2-CB 3.8Å |
| 501 | F | 98.1 | Very high | 96 | Very high | 74 Ų | 74 | 28.7 Ų | 28.7 | 33% | 0.325 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -63.4 | -55.4 | 176.8 | -174.4 | -99.8 | 0 | 0 | 0 | 111 | C384 Y387 T440 F477 | C384-F501 PolarHBondContact N-O 3.02Å; C384-F501 PolarHBondContact SG-O 3.1Å; Y387-F501 VanDerWaalsContact CE2-O 3.23Å; Y387-F501 WeakPolarHBondContact CE2-O 3.26Å; T440-F501 HydrophobicContact CG2-CB 3.9Å; T440-F501 PolarHBondContact O-N 2.77Å; F477-F501 HydrophobicContact CB-CB 4.47Å; F477-F501 HydrophobicContact CB-CD2 3.82Å; F477-F501 HydrophobicContact CD1-CB 3.82Å; F477-F501 HydrophobicContact CD1-CD2 4Å; F477-F501 HydrophobicContact CD1-CG 4.44Å; F477-F501 HydrophobicContact CG-CB 4.46Å; F477-F501 AromaticContact CG-CD2 3.9Å; F477-F501 HydrophobicContact CG-CD2 3.9Å |
| 502 | E | 97.6 | Very high | 96 | Very high | 91 Ų | 91 | 25.6 Ų | 25.6 | 43% | 0.425 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -88.7 | 148.6 | 176.4 | -59.5 | -173.7 | 151.2 | 0 | 0 | 111.3 | T500 K505 | T500-E502 PolarHBondContact OG1-O 2.56Å; E502-K505 HydrophobicContact CB-CG 4.19Å; E502-K505 WeakPolarHBondContact OE2-CE 3Å; E502-K505 IonicContact OE2-NZ 3.29Å; E502-K505 PolarHBondContact OE2-NZ 3.22Å |
| 503 | P | 94.7 | Very high | 96 | Very high | 28 Ų | 28 | 24.5 Ų | 24.5 | 18% | 0.182 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 169.4 | 170.4 | 31.1 | -35.5 | 0 | 0 | 0 | 111.1 | Y387 K505 | Y387-P503 HydrophobicContact CD1-CG 4.01Å; Y387-P503 HydrophobicContact CE1-CG 4.26Å; Y387-P503 HydrophobicContact CG-CG 4.18Å; P503-K505 PolarHBondContact O-N 2.94Å |
| 504 | N | 92.5 | Very high | 95.8 | Very high | 70 Ų | 70 | 23.9 Ų | 23.9 | 37% | 0.374 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 7.7 | 175.8 | -63.4 | -51.9 | 0 | 0 | 0 | 116 | R377 A381 | R377-N504 HydrophobicContact CG-CB 3.79Å; R377-N504 WeakPolarHBondContact CG-OD1 3.21Å; A381-N504 PolarHBondContact O-N 2.8Å |
| 505 | K | 94.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 24.2 Ų | 24.2 | 28% | 0.278 | 12% | 0.12 | S | C | . | . | trans | -80.1 | 125.2 | 170.1 | -60.1 | -61.3 | -173.2 | 160 | 0 | 109.6 | W375 A381 E439 T500 E502 P503 | W375-K505 WeakPolarHBondContact CB-O 3.49Å; A381-K505 VanDerWaalsContact CB-O 3.3Å; A381-K505 WeakPolarHBondContact CB-O 3.48Å; E439-K505 WeakPolarHBondContact OE2-CD 3.44Å; E439-K505 IonicContact OE2-NZ 3.16Å; T500-K505 HydrophobicContact CG2-CB 3.8Å; E502-K505 HydrophobicContact CB-CG 4.19Å; E502-K505 WeakPolarHBondContact OE2-CE 3Å; E502-K505 IonicContact OE2-NZ 3.29Å; E502-K505 PolarHBondContact OE2-NZ 3.22Å; P503-K505 PolarHBondContact O-N 2.94Å | ||
| 506 | E | 92.1 | Very high | 94.8 | Very high | 105 Ų | 105 | 26.6 Ų | 26.6 | 49% | 0.491 | 13% | 0.131 | S | C | . | . | trans | -92.6 | 140.7 | 179.2 | -58.2 | -167.4 | 126.3 | 0 | 0 | 110.6 | W375 R377 R428 | W375-E506 VanDerWaalsContact O-CA 3.31Å; W375-E506 WeakPolarHBondContact O-CA 3.24Å; R377-E506 HydrophobicContact CB-CG 3.87Å; R377-E506 WeakPolarHBondContact CB-OE1 3.44Å; R377-E506 PolarHBondContact N-OE1 2.98Å; R377-E506 VanDerWaalsContact N-OE1 3.14Å; R428-E506 PolarHBondContact NH1-O 3.08Å; R428-E506 PolarHBondContact NH2-O 3.42Å | ||
| 507 | G | 93.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | 156.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W375 R376 | W375-G507 PolarHBondContact N-O 3.35Å; W375-G507 PolarHBondContact O-N 2.94Å; R376-G507 PolarHBondContact NH1-O 3.05Å |
| 508 | D | 94.7 | Very high | 93.8 | Very high | 51 Ų | 51 | 32.5 Ų | 32.5 | 27% | 0.273 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 147.3 | 167.3 | -57 | -26.8 | 0 | 0 | 0 | 108.3 | T374 R376 Q425 K426 | T374-D508 WeakPolarHBondContact CG2-OD1 3.47Å; R376-D508 IonicContact CZ-OD1 3.57Å; R376-D508 IonicContact NH1-OD1 2.72Å; R376-D508 PolarHBondContact NH1-OD1 2.7Å; R376-D508 IonicContact NH2-OD1 2.61Å; R376-D508 PolarHBondContact NH2-OD1 2.74Å; R376-D508 IonicContact NH2-OD2 3.79Å; Q425-D508 WeakPolarHBondContact CA-O 3.3Å; K426-D508 HydrophobicContact CB-CB 4.09Å; K426-D508 HydrophobicContact CD-CB 3.78Å; K426-D508 HydrophobicContact CG-CB 4.19Å; K426-D508 PolarHBondContact N-O 3.29Å |
| 509 | F | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 165.1 | 179.8 | 69.6 | -95.1 | 0 | 0 | 0 | 112.4 | G373 T374 W375 P395 F397 L423 M424 P498 L511 | G373-F509 VanDerWaalsContact C-CD1 3.44Å; G373-F509 PolarHBondContact N-O 2.89Å; G373-F509 PolarHBondContact O-N 2.74Å; T374-F509 VanDerWaalsContact N-CE1 3.32Å; W375-F509 AromaticContact CD2-CD1 3.62Å; W375-F509 HydrophobicContact CD2-CD1 3.62Å; W375-F509 AromaticContact CD2-CE1 3.93Å; W375-F509 HydrophobicContact CD2-CE1 3.93Å; W375-F509 AromaticContact CE2-CD1 3.44Å; W375-F509 VanDerWaalsContact CE2-CD1 3.44Å; W375-F509 AromaticContact CE2-CE1 3.52Å; W375-F509 HydrophobicContact CE3-CB 4.5Å; W375-F509 AromaticContact CE3-CD1 3.79Å; W375-F509 HydrophobicContact CE3-CD1 3.79Å; W375-F509 HydrophobicContact CG-CD1 4.32Å; W375-F509 HydrophobicContact CG-CE1 4.26Å; W375-F509 HydrophobicContact CH2-CB 3.71Å; W375-F509 AromaticContact CH2-CD1 3.7Å; W375-F509 HydrophobicContact CH2-CD1 3.7Å; W375-F509 HydrophobicContact CH2-CE1 4.49Å; W375-F509 AromaticContact CH2-CG 3.83Å; W375-F509 HydrophobicContact CH2-CG 3.83Å; W375-F509 HydrophobicContact CZ2-CB 4.31Å; W375-F509 AromaticContact CZ2-CD1 3.5Å; W375-F509 HydrophobicContact CZ2-CD1 3.5Å; W375-F509 AromaticContact CZ2-CE1 3.85Å; W375-F509 HydrophobicContact CZ2-CE1 3.85Å; W375-F509 AromaticContact CZ2-CG 3.92Å; W375-F509 HydrophobicContact CZ2-CG 3.92Å; W375-F509 HydrophobicContact CZ3-CB 3.82Å; W375-F509 AromaticContact CZ3-CD1 3.84Å; W375-F509 HydrophobicContact CZ3-CD1 3.84Å; W375-F509 HydrophobicContact CZ3-CG 4.17Å; W375-F509 AromaticContact NE1-CE1 3.6Å; P395-F509 HydrophobicContact CB-CZ 4.04Å; P395-F509 HydrophobicContact CG-CE1 4.04Å; P395-F509 HydrophobicContact CG-CZ 3.9Å; F397-F509 HydrophobicContact CE2-CE2 4.05Å; F397-F509 HydrophobicContact CE2-CZ 4.16Å; F397-F509 HydrophobicContact CZ-CE2 4.17Å; F397-F509 HydrophobicContact CZ-CZ 4.34Å; L423-F509 HydrophobicContact CD1-CB 3.94Å; L423-F509 HydrophobicContact CD1-CD2 3.48Å; L423-F509 VanDerWaalsContact CD1-CD2 3.48Å; L423-F509 HydrophobicContact CD1-CE2 4.18Å; L423-F509 HydrophobicContact CD1-CG 3.87Å; M424-F509 CarbonylContact O-C 3.51Å; M424-F509 WeakPolarHBondContact O-CA 3.47Å; M424-F509 VanDerWaalsContact O-CB 3.29Å; M424-F509 WeakPolarHBondContact O-CB 3.33Å; P498-F509 HydrophobicContact CB-CE2 4.19Å; P498-F509 HydrophobicContact CB-CZ 4.36Å; P498-F509 HydrophobicContact CG-CE2 3.66Å; P498-F509 HydrophobicContact CG-CZ 3.67Å; F509-L511 HydrophobicContact CD2-CB 4.43Å; F509-L511 HydrophobicContact CE2-CB 4.26Å |
| 510 | V | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.5 | 169 | -176 | 0 | 0 | 0 | 0 | 107.7 | F156 L370 Y371 M424 K426 R512 | F156-V510 HydrophobicContact CB-CG2 3.88Å; F156-V510 WeakPolarHBondContact O-CG2 3.38Å; L370-V510 HydrophobicContact CD1-CG1 3.57Å; L370-V510 HydrophobicContact CD2-CG1 3.73Å; L370-V510 HydrophobicContact CG-CG1 3.4Å; L370-V510 VanDerWaalsContact CG-CG1 3.4Å; Y371-V510 CarbonylContact O-C 3.6Å; Y371-V510 WeakPolarHBondContact O-CA 3.41Å; M424-V510 HydrophobicContact CB-CB 4.49Å; M424-V510 PolarHBondContact N-O 2.78Å; M424-V510 PolarHBondContact O-N 3.5Å; K426-V510 HydrophobicContact CD-CG2 3.88Å; K426-V510 HydrophobicContact CG-CG2 4.12Å; V510-R512 HydrophobicContact CG1-CG 3.73Å |
| 511 | L | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.8 | 171.2 | -173.1 | 69.6 | 0 | 0 | 0 | 108.7 | L370 Y371 F397 L421 A422 L423 V496 P498 F509 F513 | L370-L511 WeakPolarHBondContact CA-O 3.33Å; Y371-L511 PolarHBondContact N-O 2.86Å; Y371-L511 PolarHBondContact O-N 2.66Å; F397-L511 HydrophobicContact CB-CD2 3.95Å; F397-L511 HydrophobicContact CD1-CD2 4.27Å; F397-L511 HydrophobicContact CD2-CD2 3.31Å; F397-L511 HydrophobicContact CE2-CD2 3.83Å; F397-L511 HydrophobicContact CG-CD2 3.56Å; F397-L511 HydrophobicContact CZ-CD2 4.5Å; L421-L511 HydrophobicContact CD1-CD1 3.69Å; L421-L511 HydrophobicContact CD1-CD2 4.41Å; L421-L511 HydrophobicContact CD1-CG 4.07Å; L421-L511 HydrophobicContact CG-CD1 4.16Å; A422-L511 CarbonylContact O-C 3.6Å; A422-L511 WeakPolarHBondContact O-CA 3.47Å; L423-L511 HydrophobicContact CB-CD1 4.12Å; L423-L511 HydrophobicContact CD1-CD1 4.25Å; V496-L511 HydrophobicContact CG1-CD1 4.49Å; V496-L511 HydrophobicContact CG1-CD2 4.01Å; P498-L511 HydrophobicContact CG-CD2 4.36Å; F509-L511 HydrophobicContact CD2-CB 4.43Å; F509-L511 HydrophobicContact CE2-CB 4.26Å; L511-F513 HydrophobicContact CD2-CE2 3.68Å; L511-F513 HydrophobicContact CD2-CZ 3.64Å; L511-F513 HydrophobicContact CG-CE2 3.94Å; L511-F513 HydrophobicContact CG-CZ 4.2Å |
| 512 | R | 95.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.1 | -176.3 | -52.1 | -174.5 | -70.5 | 161.2 | 1 | 110.1 | E215 G219 G220 T369 L370 A422 E482 V510 F514 | E215-R512 IonicContact OE1-NH2 2.8Å; G219-R512 PolarHBondContact O-NH1 3.07Å; G220-R512 PolarHBondContact O-NH1 3.03Å; G220-R512 PolarHBondContact O-NH2 2.79Å; T369-R512 WeakPolarHBondContact O-CA 3.33Å; L370-R512 HydrophobicContact CD1-CG 4Å; L370-R512 HydrophobicContact CG-CG 4.14Å; A422-R512 HydrophobicContact CB-CB 4.25Å; A422-R512 PolarHBondContact N-O 3.12Å; A422-R512 PolarHBondContact O-N 2.71Å; E482-R512 IonicContact OE1-NH2 3.55Å; E482-R512 PolarHBondContact OE1-NH2 3.43Å; E482-R512 IonicContact OE2-CZ 3.13Å; E482-R512 IonicContact OE2-NE 3.94Å; E482-R512 PolarHBondContact OE2-NE 3.08Å; E482-R512 IonicContact OE2-NH2 2.66Å; E482-R512 PolarHBondContact OE2-NH2 3.1Å; V510-R512 HydrophobicContact CG1-CG 3.73Å; R512-F514 HydrophobicContact CB-CD2 4.26Å; R512-F514 HydrophobicContact CB-CE2 3.44Å; R512-F514 VanDerWaalsContact CB-CE2 3.44Å; R512-F514 HydrophobicContact CB-CZ 4.11Å; R512-F514 HydrophobicContact CG-CE2 4.46Å |
| 513 | F | 94.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.5 | 175.3 | -61.1 | -94.9 | 0 | 0 | 0 | 108.7 | T368 T369 Y371 F397 I399 L421 V496 L511 T521 | T368-F513 VanDerWaalsContact CA-O 3.29Å; T368-F513 WeakPolarHBondContact CA-O 3.36Å; T369-F513 PolarHBondContact N-O 3.37Å; T369-F513 PolarHBondContact O-N 3.38Å; Y371-F513 HydrophobicContact CD2-CD2 4.05Å; Y371-F513 AromaticContact CD2-CE2 3.73Å; Y371-F513 HydrophobicContact CD2-CE2 3.73Å; Y371-F513 AromaticContact CE2-CD2 3.99Å; Y371-F513 HydrophobicContact CE2-CD2 3.99Å; Y371-F513 AromaticContact CE2-CE2 3.81Å; Y371-F513 HydrophobicContact CE2-CE2 3.81Å; F397-F513 HydrophobicContact CB-CE2 4.38Å; F397-F513 HydrophobicContact CB-CZ 3.99Å; I399-F513 HydrophobicContact CB-CD1 4.39Å; I399-F513 HydrophobicContact CB-CE1 4.03Å; I399-F513 HydrophobicContact CD1-CD1 3.84Å; I399-F513 HydrophobicContact CD1-CE1 4.26Å; I399-F513 HydrophobicContact CG1-CD1 4.49Å; I399-F513 HydrophobicContact CG2-CE1 4.42Å; L421-F513 HydrophobicContact CD1-CD1 3.49Å; L421-F513 VanDerWaalsContact CD1-CD1 3.49Å; L421-F513 HydrophobicContact CD1-CE1 3.33Å; L421-F513 HydrophobicContact CD1-CE2 4.39Å; L421-F513 HydrophobicContact CD1-CG 4.15Å; L421-F513 HydrophobicContact CD1-CZ 3.81Å; V496-F513 HydrophobicContact CB-CZ 4.4Å; V496-F513 HydrophobicContact CG2-CE1 3.83Å; V496-F513 HydrophobicContact CG2-CZ 4.14Å; L511-F513 HydrophobicContact CD2-CE2 3.68Å; L511-F513 HydrophobicContact CD2-CZ 3.64Å; L511-F513 HydrophobicContact CG-CE2 3.94Å; L511-F513 HydrophobicContact CG-CZ 4.2Å; F513-T521 HydrophobicContact CB-CG2 4.14Å; F513-T521 HydrophobicContact CD1-CG2 4.22Å; F513-T521 HydrophobicContact CD2-CG2 4.03Å; F513-T521 HydrophobicContact CE2-CG2 4.49Å; F513-T521 HydrophobicContact CG-CG2 3.88Å |
| 514 | F | 90.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 108.6 | 174.5 | -60.2 | -100.5 | 0 | 0 | 0 | 108.5 | V221 T354 W366 N367 T368 F419 V420 A422 R512 | V221-F514 HydrophobicContact CB-CD1 4.28Å; V221-F514 HydrophobicContact CB-CD2 3.81Å; V221-F514 HydrophobicContact CB-CE1 3.96Å; V221-F514 HydrophobicContact CB-CE2 3.47Å; V221-F514 VanDerWaalsContact CB-CE2 3.47Å; V221-F514 HydrophobicContact CB-CG 4.23Å; V221-F514 HydrophobicContact CB-CZ 3.57Å; V221-F514 HydrophobicContact CG1-CD1 3.83Å; V221-F514 HydrophobicContact CG1-CD2 3.91Å; V221-F514 HydrophobicContact CG1-CE1 3.92Å; V221-F514 HydrophobicContact CG1-CE2 4.02Å; V221-F514 HydrophobicContact CG1-CG 3.83Å; V221-F514 HydrophobicContact CG1-CZ 4.05Å; V221-F514 HydrophobicContact CG2-CD2 3.87Å; V221-F514 HydrophobicContact CG2-CE2 3.7Å; V221-F514 HydrophobicContact CG2-CZ 4.31Å; T354-F514 HydrophobicContact CG2-CE1 3.87Å; W366-F514 HydrophobicContact CB-CD1 4.36Å; W366-F514 HydrophobicContact CD2-CB 4.34Å; W366-F514 HydrophobicContact CE3-CB 3.91Å; N367-F514 CarbonylContact O-C 3.43Å; N367-F514 VanDerWaalsContact O-CA 3.27Å; N367-F514 WeakPolarHBondContact O-CA 3.16Å; T368-F514 HydrophobicContact CG2-CD1 3.85Å; T368-F514 HydrophobicContact CG2-CE1 3.47Å; T368-F514 VanDerWaalsContact CG2-CE1 3.47Å; T368-F514 HydrophobicContact CG2-CZ 3.85Å; T368-F514 WeakPolarHBondContact OG1-CD1 3.5Å; F419-F514 CarbonylContact C-O 3.36Å; F419-F514 WeakPolarHBondContact CA-O 3.45Å; F419-F514 WeakPolarHBondContact CB-O 3.46Å; V420-F514 HydrophobicContact CB-CB 4.16Å; V420-F514 PolarHBondContact N-O 2.9Å; V420-F514 PolarHBondContact O-N 3.26Å; A422-F514 HydrophobicContact CB-CE2 4.43Å; R512-F514 HydrophobicContact CB-CD2 4.26Å; R512-F514 HydrophobicContact CB-CE2 3.44Å; R512-F514 VanDerWaalsContact CB-CE2 3.44Å; R512-F514 HydrophobicContact CB-CZ 4.11Å; R512-F514 HydrophobicContact CG-CE2 4.46Å |
| 515 | S | 88.1 | Confident | 91.7 | Very high | 7 Ų | 7 | 30 Ų | 30 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.6 | -179.3 | 60 | 0 | 0 | 0 | 0 | 112 | N367 K517 A519 | N367-S515 PolarHBondContact N-O 2.91Å; N367-S515 PolarHBondContact O-N 3.46Å; S515-K517 CarbonylContact C-O 3.01Å; S515-K517 WeakPolarHBondContact CB-O 3.39Å; S515-K517 PolarHBondContact OG-O 2.95Å; S515-A519 WeakPolarHBondContact OG-CB 3.39Å |
| 516 | E | 81.6 | Confident | 91.3 | Very high | 52 Ų | 52 | 27.3 Ų | 27.3 | 24% | 0.243 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -69.1 | -45.5 | 178.1 | 179.8 | 165.4 | -179.4 | 0 | 0 | 110.7 | R364 W366 N367 S418 | R364-E516 IonicContact CZ-OE1 3.57Å; R364-E516 IonicContact NH1-OE1 3.3Å; R364-E516 PolarHBondContact NH1-OE1 2.89Å; W366-E516 HydrophobicContact CZ3-CB 4.22Å; N367-E516 PolarHBondContact ND2-O 3.34Å; S418-E516 PolarHBondContact O-N 3.15Å; S418-E516 VanDerWaalsContact O-N 3.17Å |
| 517 | K | 85.4 | Confident | 91.1 | Very high | 45 Ų | 45 | 29.9 Ų | 29.9 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -95.9 | 165.9 | 169.6 | -58.4 | -62.7 | -174.6 | 172.1 | 0 | 111.1 | N367 E403 D406 S515 A519 | N367-K517 PolarHBondContact ND2-O 3.1Å; E403-K517 HydrophobicContact CB-CB 3.91Å; E403-K517 HydrophobicContact CB-CG 4.02Å; D406-K517 VanDerWaalsContact CG-NZ 3.31Å; D406-K517 IonicContact OD1-NZ 3.93Å; D406-K517 PolarHBondContact OD1-NZ 2.81Å; D406-K517 IonicContact OD2-NZ 2.85Å; D406-K517 PolarHBondContact OD2-NZ 3.14Å; S515-K517 CarbonylContact C-O 3.01Å; S515-K517 WeakPolarHBondContact CB-O 3.39Å; S515-K517 PolarHBondContact OG-O 2.95Å; K517-A519 PolarHBondContact O-N 3.34Å |
| 518 | S | 89.6 | Confident | 91 | Very high | 80 Ų | 80 | 34 Ų | 34 | 56% | 0.559 | 19% | 0.193 | S | C | * | . | trans | -60.8 | 131.6 | 176.4 | -170.6 | 0 | 0 | 0 | 0 | 109.6 | N367 | N367-S518 PolarHBondContact ND2-N 2.79Š| ||
| 519 | A | 90.7 | Very high | 90.8 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | I399 R400 L401 S515 K517 T521 | I399-A519 HydrophobicContact CD1-CB 4.42Å; I399-A519 HydrophobicContact CG1-CB 4.28Å; R400-A519 WeakPolarHBondContact O-CA 3.33Å; L401-A519 HydrophobicContact CD2-CB 3.97Å; S515-A519 WeakPolarHBondContact OG-CB 3.39Å; K517-A519 PolarHBondContact O-N 3.34Å; A519-T521 PolarHBondContact O-N 3.24Å |
| 520 | G | 92.4 | Very high | 90.6 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 40% | 0.402 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 117.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I399 R400 | I399-G520 CarbonylContact C-O 3.39Å; I399-G520 WeakPolarHBondContact CA-O 3.39Å; R400-G520 PolarHBondContact N-O 3.43Å; R400-G520 PolarHBondContact O-N 2.84Å |
| 521 | T | 93.4 | Very high | 90.2 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 16% | 0.16 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 145.3 | 174.1 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | T369 Y371 K398 I399 F513 A519 | T369-T521 VanDerWaalsContact CB-OG1 3.31Å; T369-T521 WeakPolarHBondContact CB-OG1 3.21Å; T369-T521 WeakPolarHBondContact CG2-OG1 3.41Å; T369-T521 WeakPolarHBondContact OG1-CG2 3.48Å; T369-T521 PolarHBondContact OG1-OG1 2.91Å; Y371-T521 WeakPolarHBondContact OH-CB 3.21Å; Y371-T521 PolarHBondContact OH-O 3.15Å; Y371-T521 PolarHBondContact OH-OG1 3.49Å; K398-T521 CarbonylContact O-C 3.38Å; K398-T521 VanDerWaalsContact O-CA 3.27Å; K398-T521 WeakPolarHBondContact O-CA 3.33Å; I399-T521 HydrophobicContact CB-CG2 4.37Å; I399-T521 HydrophobicContact CG1-CG2 4.13Å; F513-T521 HydrophobicContact CB-CG2 4.14Å; F513-T521 HydrophobicContact CD1-CG2 4.22Å; F513-T521 HydrophobicContact CD2-CG2 4.03Å; F513-T521 HydrophobicContact CE2-CG2 4.49Å; F513-T521 HydrophobicContact CG-CG2 3.88Å; A519-T521 PolarHBondContact O-N 3.24Å |
| 522 | A | 92.3 | Very high | 89.4 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 28% | 0.281 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 150.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y371 F397 K398 | Y371-A522 WeakPolarHBondContact OH-CA 3.31Å; Y371-A522 PolarHBondContact OH-N 3.14Å; F397-A522 CarbonylContact C-O 3.41Å; F397-A522 WeakPolarHBondContact CA-O 3.46Å; K398-A522 PolarHBondContact N-O 2.89Å; K398-A522 PolarHBondContact O-N 2.97Å |
| 523 | E | 91.3 | Very high | 88.3 | Confident | 62 Ų | 62 | 46.1 Ų | 46.1 | 29% | 0.29 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 133.3 | 164.3 | -178.1 | 164.6 | -159.1 | 0 | 0 | 109.4 | Y371 F397 D525 K653 | Y371-E523 HydrophobicContact CD1-CB 4.24Å; Y371-E523 HydrophobicContact CE1-CB 4.27Å; F397-E523 HydrophobicContact CD1-CB 4.06Å; F397-E523 HydrophobicContact CD1-CG 4.17Å; F397-E523 HydrophobicContact CE1-CB 4.07Å; F397-E523 HydrophobicContact CE1-CG 3.88Å; E523-D525 HydrophobicContact CG-CB 4.41Å; E523-K653 WeakPolarHBondContact OE1-CD 3.28Å; E523-K653 WeakPolarHBondContact OE1-CE 3.49Å; E523-K653 IonicContact OE1-NZ 2.93Å; E523-K653 PolarHBondContact OE1-NZ 2.96Å; E523-K653 IonicContact OE2-NZ 3.06Å |
| 524 | L | 89.3 | Confident | 87.2 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 101.4 | 174.5 | -70.9 | 176.8 | 0 | 0 | 0 | 108.9 | Q396 K398 A457 V495 | Q396-L524 HydrophobicContact CB-CB 3.78Å; Q396-L524 HydrophobicContact CB-CD1 4.26Å; Q396-L524 PolarHBondContact O-N 2.84Å; K398-L524 HydrophobicContact CB-CD1 4.08Å; K398-L524 HydrophobicContact CB-CD2 3.92Å; K398-L524 HydrophobicContact CB-CG 3.86Å; K398-L524 HydrophobicContact CD-CD2 4.42Å; A457-L524 HydrophobicContact CB-CD2 3.74Å; V495-L524 HydrophobicContact CB-CD1 4.17Å; V495-L524 HydrophobicContact CG1-CD1 3.71Å; V495-L524 HydrophobicContact CG2-CD1 3.49Å; V495-L524 VanDerWaalsContact CG2-CD1 3.49Å |
| 525 | D | 85.5 | Confident | 86.3 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 13% | 0.134 | 31% | 0.312 | C | S | . | . | trans | -148.1 | 153.4 | 178 | -155.5 | -4.3 | 0 | 0 | 0 | 110.1 | E523 N652 K653 | E523-D525 HydrophobicContact CG-CB 4.41Å; D525-N652 WeakPolarHBondContact OD1-CA 3.17Å; D525-N652 WeakPolarHBondContact OD2-CA 3.5Å; D525-N652 VanDerWaalsContact OD2-CB 3.31Å; D525-N652 WeakPolarHBondContact OD2-CB 3.14Å; D525-K653 PolarHBondContact OD1-N 3.01Å; D525-K653 WeakPolarHBondContact OD2-CB 3.26Å; D525-K653 WeakPolarHBondContact OD2-CG 3.43Å; D525-K653 PolarHBondContact OD2-N 3.35Å | ||
| 526 | D | 85.6 | Confident | 85.5 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | trans | -72.5 | 133.8 | -175.2 | -58.7 | -55.3 | 0 | 0 | 0 | 110.2 | H459 K461 R641 K650 | H459-D526 WeakPolarHBondContact CB-OD2 3.01Å; H459-D526 PolarHBondContact N-OD1 2.75Å; K461-D526 IonicContact NZ-OD2 3.31Å; D526-R641 IonicContact OD2-NH2 3.99Å; D526-R641 PolarHBondContact OD2-NH2 2.79Å; D526-K650 HydrophobicContact CB-CB 4.43Å | ||
| 527 | Q | 86.8 | Confident | 85.3 | Confident | 159 Ų | 159 | 64.6 Ų | 64.6 | 74% | 0.743 | 36% | 0.357 | S | S | * | . | trans | -65.1 | 143.2 | 171.9 | -71.9 | -161.5 | -10.9 | 0 | 0 | 110.8 | Q529 K650 | Q527-Q529 PolarHBondContact O-N 3.5Å; Q527-Q529 VanDerWaalsContact O-N 3.16Å; Q527-K650 WeakPolarHBondContact O-CB 3.42Å | ||
| 528 | I | 91.6 | Very high | 85 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 48% | 0.482 | 36% | 0.361 | S | S | . | . | trans | -68.9 | 112.6 | 179.8 | -58.9 | 170.7 | 0 | 0 | 0 | 108.6 | K650 L651 L655 F686 | I528-K650 CarbonylContact C-O 3.47Å; I528-K650 WeakPolarHBondContact CA-O 3.48Å; I528-L651 HydrophobicContact CG2-CD2 4.46Å; I528-L655 HydrophobicContact CD1-CD1 3.73Å; I528-L655 HydrophobicContact CG1-CD1 3.95Å; I528-L655 HydrophobicContact CG2-CD1 4.4Å; I528-F686 HydrophobicContact CG2-CE1 3.93Å; I528-F686 HydrophobicContact CG2-CZ 3.54Å | ||
| 529 | Q | 91.2 | Very high | 84.5 | Confident | 82 Ų | 82 | 63.7 Ų | 63.7 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 143.4 | -177.9 | -174.1 | 176.8 | 12.2 | 0 | 0 | 110.8 | Q527 N531 F649 K650 | Q527-Q529 PolarHBondContact O-N 3.5Å; Q527-Q529 VanDerWaalsContact O-N 3.16Å; Q529-N531 PolarHBondContact NE2-ND2 2.86Å; Q529-N531 VanDerWaalsContact NE2-ND2 3.11Å; Q529-N531 PolarHBondContact NE2-OD1 3.02Å; Q529-F649 CarbonylContact O-C 3.36Å; Q529-F649 WeakPolarHBondContact O-CA 3.23Å; Q529-K650 HydrophobicContact CB-CB 4.38Å; Q529-K650 PolarHBondContact N-O 3.02Å; Q529-K650 PolarHBondContact O-N 2.78Å |
| 530 | A | 92.1 | Very high | 84 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 5% | 0.05 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 109.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L532 F649 F686 K690 | A530-L532 HydrophobicContact CB-CG 4.47Å; A530-F649 HydrophobicContact CB-CD1 3.66Å; A530-F649 HydrophobicContact CB-CE1 3.82Å; A530-F686 HydrophobicContact CB-CB 4.15Å; A530-F686 HydrophobicContact CB-CD1 3.5Å; A530-F686 HydrophobicContact CB-CD2 3.75Å; A530-F686 HydrophobicContact CB-CE1 3.66Å; A530-F686 HydrophobicContact CB-CE2 3.91Å; A530-F686 HydrophobicContact CB-CG 3.53Å; A530-F686 HydrophobicContact CB-CZ 3.85Å; A530-K690 PolarHBondContact O-NZ 3.42Å |
| 531 | N | 89 | Confident | 83.5 | Confident | 94 Ų | 94 | 75 Ų | 75 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | trans | -105.1 | 80.2 | 174.2 | -64.1 | -24.1 | 0 | 0 | 0 | 108.4 | Q529 G648 | Q529-N531 PolarHBondContact NE2-ND2 2.86Å; Q529-N531 VanDerWaalsContact NE2-ND2 3.11Å; Q529-N531 PolarHBondContact NE2-OD1 3.02Å; N531-G648 PolarHBondContact N-O 3.41Å; N531-G648 WeakPolarHBondContact O-CA 3.35Å | ||
| 532 | L | 80.4 | Confident | 83.2 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 22% | 0.22 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 140.6 | -179.7 | -61.9 | 164.4 | 0 | 0 | 0 | 109.2 | A530 F649 E683 | A530-L532 HydrophobicContact CB-CG 4.47Å; L532-F649 HydrophobicContact CD2-CE1 3.93Å; L532-F649 HydrophobicContact CD2-CE2 3.98Å; L532-F649 HydrophobicContact CD2-CZ 3.5Å; L532-F649 VanDerWaalsContact CD2-CZ 3.5Å; L532-E683 HydrophobicContact CD1-CG 3.65Å; L532-E683 HydrophobicContact CD2-CG 4.42Å |
| 533 | P | 73.3 | Confident | 82.7 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 141.2 | 174.2 | 24.4 | -31.4 | 0 | 0 | 0 | 110.2 | E535 | P533-E535 PolarHBondContact O-N 3.37Š|
| 534 | D | 71.4 | Confident | 82.4 | Confident | 163 Ų | 163 | 79.7 Ų | 79.7 | 87% | 0.872 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 129.8 | 175.2 | -72.5 | -36.5 | 0 | 0 | 0 | 109.7 | Q536 | D534-Q536 PolarHBondContact O-N 3.15Š|
| 535 | E | 71.8 | Confident | 82.3 | Confident | 46 Ų | 46 | 84.1 Ų | 84.1 | 22% | 0.215 | 43% | 0.429 | C | S | . | . | trans | -74.6 | 99.2 | -175.3 | -161.2 | 156.7 | -121.4 | 0 | 0 | 108.2 | P533 V537 R599 I612 R616 R687 | P533-E535 PolarHBondContact O-N 3.37Å; E535-V537 VanDerWaalsContact C-N 3.32Å; E535-V537 HydrophobicContact CG-CG2 4.39Å; E535-V537 PolarHBondContact O-N 3.34Å; E535-R599 IonicContact OE2-CZ 3.2Å; E535-R599 IonicContact OE2-NH2 2.67Å; E535-R599 PolarHBondContact OE2-NH2 2.72Å; E535-I612 HydrophobicContact CG-CD1 4.27Å; E535-I612 HydrophobicContact CG-CG2 3.9Å; E535-I612 WeakPolarHBondContact OE1-CG2 3.37Å; E535-R616 IonicContact OE1-CZ 3.07Å; E535-R616 IonicContact OE1-NE 2.87Å; E535-R616 PolarHBondContact OE1-NE 2.99Å; E535-R616 IonicContact OE1-NH2 3.28Å; E535-R616 PolarHBondContact OE1-NH2 3.21Å; E535-R687 IonicContact OE1-NH2 2.87Å; E535-R687 PolarHBondContact OE1-NH2 3.48Å; E535-R687 IonicContact OE2-CZ 3.37Å; E535-R687 IonicContact OE2-NH1 3.32Å; E535-R687 PolarHBondContact OE2-NH1 3.21Å; E535-R687 IonicContact OE2-NH2 2.74Å; E535-R687 PolarHBondContact OE2-NH2 2.95Å | ||
| 536 | Q | 71.7 | Confident | 82.2 | Confident | 168 Ų | 168 | 88.8 Ų | 88.8 | 79% | 0.785 | 45% | 0.454 | S | S | * | . | trans | -67.2 | 94.3 | 170.3 | -85.3 | -172.9 | -13.2 | 0 | 0 | 108.9 | D534 L538 | D534-Q536 PolarHBondContact O-N 3.15Å; Q536-L538 PolarHBondContact O-N 2.92Å | ||
| 537 | V | 77 | Confident | 82.1 | Confident | 74 Ų | 74 | 89.5 Ų | 89.5 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | trans | -79.8 | 100.9 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | E535 V608 I612 | E535-V537 VanDerWaalsContact C-N 3.32Å; E535-V537 HydrophobicContact CG-CG2 4.39Å; E535-V537 PolarHBondContact O-N 3.34Å; V537-V608 HydrophobicContact CG1-CG1 3.91Å; V537-I612 HydrophobicContact CG2-CD1 4.21Å | ||
| 538 | L | 78.3 | Confident | 82.1 | Confident | 55 Ų | 55 | 82.8 Ų | 82.8 | 29% | 0.288 | 43% | 0.425 | S | S | . | . | trans | -70.9 | 138.9 | 170 | -64.3 | 174.1 | 0 | 0 | 0 | 109.1 | Q536 E542 I543 | Q536-L538 PolarHBondContact O-N 2.92Å; L538-E542 WeakPolarHBondContact CA-OE2 3.15Å; L538-E542 HydrophobicContact CB-CB 4.06Å; L538-E542 HydrophobicContact CD2-CB 3.99Å; L538-I543 HydrophobicContact CB-CG1 3.99Å; L538-I543 HydrophobicContact CD1-CG1 4.44Å | ||
| 539 | S | 79.9 | Confident | 81.8 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | trans | -65.4 | 158.2 | 165.4 | 77.5 | 0 | 0 | 0 | 0 | 109.5 | E541 E542 I543 | S539-E541 PolarHBondContact O-N 2.98Å; S539-E541 VanDerWaalsContact O-N 3.08Å; S539-E541 PolarHBondContact OG-N 3.38Å; S539-E542 PolarHBondContact N-OE2 3.37Å; S539-E542 PolarHBondContact O-N 3.27Å; S539-E542 WeakPolarHBondContact OG-CG 3.46Å; S539-E542 PolarHBondContact OG-N 2.85Å; S539-I543 PolarHBondContact O-N 3.3Å | ||
| 540 | E | 80.1 | Confident | 81.3 | Confident | 115 Ų | 115 | 79.9 Ų | 79.9 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -53.7 | -33.7 | 176.6 | -77.9 | -161.9 | 146.1 | 0 | 0 | 112 | E542 I543 K548 L607 V608 | E540-E542 VanDerWaalsContact C-N 3.3Å; E540-E542 PolarHBondContact O-N 3.46Å; E540-I543 PolarHBondContact O-N 3.34Å; E540-K548 WeakPolarHBondContact O-CE 3.04Å; E540-K548 PolarHBondContact O-NZ 2.83Å; E540-L607 HydrophobicContact CG-CD2 4.07Å; E540-V608 HydrophobicContact CG-CG2 3.83Å |
| 541 | E | 82.3 | Confident | 81 | Confident | 177 Ų | 177 | 79.8 Ų | 79.8 | 83% | 0.827 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -67.3 | -31.4 | -179.2 | -62.6 | 168.1 | -179.1 | 0 | 0 | 112.6 | S539 | S539-E541 PolarHBondContact O-N 2.98Å; S539-E541 VanDerWaalsContact O-N 3.08Å; S539-E541 PolarHBondContact OG-N 3.38Å |
| 542 | E | 85.7 | Confident | 80.9 | Confident | 124 Ų | 124 | 81.3 Ų | 81.3 | 58% | 0.579 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -83 | -15.2 | -178.9 | -66.3 | 171.4 | 151.8 | 0 | 0 | 113.2 | L538 S539 E540 D544 | L538-E542 WeakPolarHBondContact CA-OE2 3.15Å; L538-E542 HydrophobicContact CB-CB 4.06Å; L538-E542 HydrophobicContact CD2-CB 3.99Å; S539-E542 PolarHBondContact N-OE2 3.37Å; S539-E542 PolarHBondContact O-N 3.27Å; S539-E542 WeakPolarHBondContact OG-CG 3.46Å; S539-E542 PolarHBondContact OG-N 2.85Å; E540-E542 VanDerWaalsContact C-N 3.3Å; E540-E542 PolarHBondContact O-N 3.46Å; E542-D544 PolarHBondContact O-N 2.9Å |
| 543 | I | 82.9 | Confident | 81 | Confident | 5 Ų | 5 | 86.7 Ų | 86.7 | 3% | 0.026 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -71.7 | 130.2 | 177.7 | -63.9 | 173.4 | 0 | 0 | 0 | 109.6 | L538 S539 E540 E545 F547 K548 L607 V608 N611 | L538-I543 HydrophobicContact CB-CG1 3.99Å; L538-I543 HydrophobicContact CD1-CG1 4.44Å; S539-I543 PolarHBondContact O-N 3.3Å; E540-I543 PolarHBondContact O-N 3.34Å; I543-E545 PolarHBondContact O-N 3.05Å; I543-F547 HydrophobicContact CG2-CB 4.1Å; I543-F547 HydrophobicContact CG2-CD1 3.67Å; I543-F547 HydrophobicContact CG2-CG 4.26Å; I543-K548 HydrophobicContact CB-CG 4.49Å; I543-K548 HydrophobicContact CG2-CG 4Å; I543-K548 WeakPolarHBondContact O-CE 3.23Å; I543-K548 PolarHBondContact O-NZ 3.23Å; I543-L607 HydrophobicContact CD1-CD2 4.34Å; I543-L607 HydrophobicContact CD1-CG 4Å; I543-V608 HydrophobicContact CD1-CG2 4.16Å; I543-N611 HydrophobicContact CD1-CB 4.01Å |
| 544 | D | 84.7 | Confident | 81.4 | Confident | 92 Ų | 92 | 84.6 Ų | 84.6 | 49% | 0.492 | 43% | 0.425 | S | S | . | . | trans | -51.5 | 134.2 | 177.8 | 169.9 | 74.8 | 0 | 0 | 0 | 112.5 | E542 N546 F547 K548 | E542-D544 PolarHBondContact O-N 2.9Å; D544-N546 VanDerWaalsContact C-N 3.26Å; D544-N546 PolarHBondContact O-N 3.38Å; D544-N546 PolarHBondContact OD1-ND2 3.09Å; D544-N546 WeakPolarHBondContact OD2-CA 3.29Å; D544-N546 WeakPolarHBondContact OD2-CB 3.46Å; D544-N546 PolarHBondContact OD2-N 2.94Å; D544-N546 PolarHBondContact OD2-ND2 3.22Å; D544-F547 HydrophobicContact CB-CB 4.34Å; D544-F547 WeakPolarHBondContact O-CA 3.45Å; D544-F547 WeakPolarHBondContact O-CB 3.45Å; D544-F547 PolarHBondContact O-N 2.86Å; D544-F547 PolarHBondContact OD2-N 3.1Å; D544-K548 PolarHBondContact O-N 3.11Å | ||
| 545 | E | 86.6 | Confident | 81.9 | Confident | 104 Ų | 104 | 76.8 Ų | 76.8 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -29.3 | -177.1 | -80.6 | -57.8 | 140.3 | 0 | 0 | 113.1 | I543 F547 K548 A549 R552 | I543-E545 PolarHBondContact O-N 3.05Å; E545-F547 VanDerWaalsContact C-N 3.31Å; E545-K548 PolarHBondContact O-N 2.77Å; E545-K548 WeakPolarHBondContact OE1-CD 3.46Å; E545-K548 IonicContact OE1-NZ 3.98Å; E545-K548 PolarHBondContact OE1-NZ 3.33Å; E545-A549 WeakPolarHBondContact O-CB 3.33Å; E545-A549 PolarHBondContact O-N 3.39Å; E545-R552 IonicContact OE2-NH1 3.97Å; E545-R552 IonicContact OE2-NH2 3.82Å |
| 546 | N | 83.1 | Confident | 82.3 | Confident | 123 Ų | 123 | 76.6 Ų | 76.6 | 66% | 0.658 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -68.8 | -36 | 174 | -50.7 | -67.9 | 0 | 0 | 0 | 110.8 | D544 A549 L550 | D544-N546 VanDerWaalsContact C-N 3.26Å; D544-N546 PolarHBondContact O-N 3.38Å; D544-N546 PolarHBondContact OD1-ND2 3.09Å; D544-N546 WeakPolarHBondContact OD2-CA 3.29Å; D544-N546 WeakPolarHBondContact OD2-CB 3.46Å; D544-N546 PolarHBondContact OD2-N 2.94Å; D544-N546 PolarHBondContact OD2-ND2 3.22Å; N546-A549 PolarHBondContact O-N 2.77Å; N546-L550 WeakPolarHBondContact O-CB 3.5Å; N546-L550 PolarHBondContact O-N 2.63Å |
| 547 | F | 85 | Confident | 82.8 | Confident | 21 Ų | 21 | 78.2 Ų | 78.2 | 9% | 0.092 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 173 | -167.3 | -92.8 | 0 | 0 | 0 | 111.8 | I543 D544 E545 L550 F551 L607 F610 N611 W614 | I543-F547 HydrophobicContact CG2-CB 4.1Å; I543-F547 HydrophobicContact CG2-CD1 3.67Å; I543-F547 HydrophobicContact CG2-CG 4.26Å; D544-F547 HydrophobicContact CB-CB 4.34Å; D544-F547 WeakPolarHBondContact O-CA 3.45Å; D544-F547 WeakPolarHBondContact O-CB 3.45Å; D544-F547 PolarHBondContact O-N 2.86Å; D544-F547 PolarHBondContact OD2-N 3.1Å; E545-F547 VanDerWaalsContact C-N 3.31Å; F547-L550 WeakPolarHBondContact O-CB 3.34Å; F547-L550 PolarHBondContact O-N 3.46Å; F547-F551 WeakPolarHBondContact O-CB 3.38Å; F547-F551 PolarHBondContact O-N 2.95Å; F547-L607 HydrophobicContact CD1-CD1 4.25Å; F547-L607 HydrophobicContact CE1-CD1 4.34Å; F547-F610 AromaticContact CE1-CD1 3.81Å; F547-F610 HydrophobicContact CE1-CD1 3.81Å; F547-F610 HydrophobicContact CE1-CE1 4.27Å; F547-F610 HydrophobicContact CE2-CD1 4.5Å; F547-F610 HydrophobicContact CE2-CE1 4.22Å; F547-F610 AromaticContact CZ-CD1 3.47Å; F547-F610 HydrophobicContact CZ-CD1 3.47Å; F547-F610 VanDerWaalsContact CZ-CD1 3.47Å; F547-F610 AromaticContact CZ-CE1 3.59Å; F547-F610 HydrophobicContact CZ-CE1 3.59Å; F547-N611 HydrophobicContact CD1-CB 4.28Å; F547-N611 VanDerWaalsContact CD1-ND2 3.32Å; F547-N611 WeakPolarHBondContact CD1-ND2 3.43Å; F547-N611 HydrophobicContact CE1-CB 3.62Å; F547-N611 VanDerWaalsContact CE1-ND2 3.33Å; F547-N611 WeakPolarHBondContact CE1-ND2 3.48Å; F547-N611 HydrophobicContact CZ-CB 4.14Å; F547-W614 HydrophobicContact CE2-CB 3.93Å; F547-W614 AromaticContact CE2-CD1 3.41Å; F547-W614 VanDerWaalsContact CE2-CD1 3.41Å; F547-W614 HydrophobicContact CE2-CD2 4.43Å; F547-W614 AromaticContact CE2-CG 3.64Å; F547-W614 HydrophobicContact CE2-CG 3.64Å; F547-W614 HydrophobicContact CZ-CB 3.87Å; F547-W614 HydrophobicContact CZ-CG 4.1Å |
| 548 | K | 85.7 | Confident | 83.3 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 8% | 0.083 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.9 | -63.6 | -172.7 | -167.7 | 156.1 | 0 | 112.3 | E540 I543 D544 E545 L550 F551 R552 L607 | E540-K548 WeakPolarHBondContact O-CE 3.04Å; E540-K548 PolarHBondContact O-NZ 2.83Å; I543-K548 HydrophobicContact CB-CG 4.49Å; I543-K548 HydrophobicContact CG2-CG 4Å; I543-K548 WeakPolarHBondContact O-CE 3.23Å; I543-K548 PolarHBondContact O-NZ 3.23Å; D544-K548 PolarHBondContact O-N 3.11Å; E545-K548 PolarHBondContact O-N 2.77Å; E545-K548 WeakPolarHBondContact OE1-CD 3.46Å; E545-K548 IonicContact OE1-NZ 3.98Å; E545-K548 PolarHBondContact OE1-NZ 3.33Å; K548-L550 VanDerWaalsContact C-N 3.3Å; K548-L550 PolarHBondContact O-N 3.32Å; K548-F551 PolarHBondContact O-N 3.29Å; K548-R552 WeakPolarHBondContact O-CG 3.34Å; K548-R552 PolarHBondContact O-N 2.78Å; K548-L607 HydrophobicContact CD-CD2 4.24Å; K548-L607 HydrophobicContact CG-CD1 4.32Å; K548-L607 HydrophobicContact CG-CD2 3.93Å |
| 549 | A | 85.3 | Confident | 83.8 | Confident | 50 Ų | 50 | 80 Ų | 80 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E545 N546 R552 Q553 | E545-A549 WeakPolarHBondContact O-CB 3.33Å; E545-A549 PolarHBondContact O-N 3.39Å; N546-A549 PolarHBondContact O-N 2.77Å; A549-R552 PolarHBondContact O-N 3.08Å; A549-Q553 WeakPolarHBondContact O-CB 3.36Å; A549-Q553 PolarHBondContact O-N 3.36Å |
| 550 | L | 80.2 | Confident | 84.3 | Confident | 65 Ų | 65 | 80 Ų | 80 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 173.6 | -178.9 | 66.3 | 0 | 0 | 0 | 111.2 | N546 F547 K548 Q553 L554 | N546-L550 WeakPolarHBondContact O-CB 3.5Å; N546-L550 PolarHBondContact O-N 2.63Å; F547-L550 WeakPolarHBondContact O-CB 3.34Å; F547-L550 PolarHBondContact O-N 3.46Å; K548-L550 VanDerWaalsContact C-N 3.3Å; K548-L550 PolarHBondContact O-N 3.32Å; L550-Q553 PolarHBondContact O-N 3Å; L550-L554 HydrophobicContact CD1-CD1 3.88Å; L550-L554 HydrophobicContact CD1-CG 4.45Å; L550-L554 HydrophobicContact CG-CD1 3.85Å; L550-L554 WeakPolarHBondContact O-CD1 3.16Å; L550-L554 WeakPolarHBondContact O-CG 3.48Å; L550-L554 PolarHBondContact O-N 2.9Å |
| 551 | F | 86.2 | Confident | 84.8 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 1% | 0.013 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 177.2 | 178.7 | -95.2 | 0 | 0 | 0 | 111.7 | F547 K548 Q553 L554 A555 M559 I561 L607 F610 | F547-F551 WeakPolarHBondContact O-CB 3.38Å; F547-F551 PolarHBondContact O-N 2.95Å; K548-F551 PolarHBondContact O-N 3.29Å; F551-Q553 VanDerWaalsContact C-N 3.25Å; F551-Q553 PolarHBondContact O-N 2.86Å; F551-L554 CarbonylContact O-C 3.47Å; F551-L554 WeakPolarHBondContact O-CA 3.33Å; F551-L554 PolarHBondContact O-N 2.8Å; F551-A555 HydrophobicContact CD1-CB 3.95Å; F551-A555 HydrophobicContact CD2-CB 4.3Å; F551-A555 HydrophobicContact CE1-CB 3.57Å; F551-A555 HydrophobicContact CE2-CB 3.97Å; F551-A555 HydrophobicContact CG-CB 4.3Å; F551-A555 HydrophobicContact CZ-CB 3.58Å; F551-A555 VanDerWaalsContact O-CB 3.25Å; F551-A555 WeakPolarHBondContact O-CB 3.18Å; F551-A555 PolarHBondContact O-N 3.49Å; F551-M559 HydrophobicContact CE1-CE 4.31Å; F551-M559 WeakPolarHBondContact CE1-O 3.41Å; F551-M559 VanDerWaalsContact CZ-O 3.24Å; F551-M559 WeakPolarHBondContact CZ-O 3.16Å; F551-I561 HydrophobicContact CD2-CD1 3.56Å; F551-I561 HydrophobicContact CD2-CG1 4.23Å; F551-I561 HydrophobicContact CE2-CD1 3.46Å; F551-I561 VanDerWaalsContact CE2-CD1 3.46Å; F551-I561 HydrophobicContact CE2-CG1 3.72Å; F551-I561 HydrophobicContact CZ-CG1 4.39Å; F551-L607 HydrophobicContact CB-CD1 3.57Å; F551-L607 HydrophobicContact CD1-CB 4.06Å; F551-L607 HydrophobicContact CD1-CD1 3.73Å; F551-L607 HydrophobicContact CD1-CG 4.44Å; F551-L607 HydrophobicContact CD2-CD1 4.05Å; F551-L607 HydrophobicContact CE1-CB 3.91Å; F551-L607 HydrophobicContact CE1-CD1 4.44Å; F551-L607 HydrophobicContact CE2-CB 4.45Å; F551-L607 HydrophobicContact CG-CB 4.4Å; F551-L607 HydrophobicContact CG-CD1 3.5Å; F551-L607 HydrophobicContact CZ-CB 4.12Å; F551-F610 HydrophobicContact CD2-CB 4.06Å; F551-F610 AromaticContact CD2-CD1 3.65Å; F551-F610 HydrophobicContact CD2-CD1 3.65Å; F551-F610 HydrophobicContact CD2-CE1 4.43Å; F551-F610 HydrophobicContact CD2-CG 4.06Å; F551-F610 HydrophobicContact CE2-CB 3.92Å; F551-F610 HydrophobicContact CE2-CD1 4.33Å; F551-F610 HydrophobicContact CE2-CG 4.29Å |
| 552 | R | 86.7 | Confident | 85.3 | Confident | 127 Ų | 127 | 67.5 Ų | 67.5 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.7 | -35.8 | 177.9 | -69.9 | -178.4 | -156.7 | 119.5 | 1.6 | 112.9 | E545 K548 A549 L554 M559 | E545-R552 IonicContact OE2-NH1 3.97Å; E545-R552 IonicContact OE2-NH2 3.82Å; K548-R552 WeakPolarHBondContact O-CG 3.34Å; K548-R552 PolarHBondContact O-N 2.78Å; A549-R552 PolarHBondContact O-N 3.08Å; R552-L554 PolarHBondContact O-N 2.81Å; R552-M559 HydrophobicContact CG-CE 3.88Å; R552-M559 HydrophobicContact CG-SD 4.07Å |
| 553 | Q | 82.7 | Confident | 85.7 | Confident | 155 Ų | 155 | 62.9 Ų | 62.9 | 72% | 0.724 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.7 | -22.6 | 176.8 | -168.1 | 179.1 | 7.5 | 0 | 0 | 112.4 | A549 L550 F551 | A549-Q553 WeakPolarHBondContact O-CB 3.36Å; A549-Q553 PolarHBondContact O-N 3.36Å; L550-Q553 PolarHBondContact O-N 3Å; F551-Q553 VanDerWaalsContact C-N 3.25Å; F551-Q553 PolarHBondContact O-N 2.86Å |
| 554 | L | 82.6 | Confident | 86.1 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -105.5 | -32 | -172.2 | -65.8 | 174.1 | 0 | 0 | 0 | 113.4 | L550 F551 R552 G556 I569 | L550-L554 HydrophobicContact CD1-CD1 3.88Å; L550-L554 HydrophobicContact CD1-CG 4.45Å; L550-L554 HydrophobicContact CG-CD1 3.85Å; L550-L554 WeakPolarHBondContact O-CD1 3.16Å; L550-L554 WeakPolarHBondContact O-CG 3.48Å; L550-L554 PolarHBondContact O-N 2.9Å; F551-L554 CarbonylContact O-C 3.47Å; F551-L554 WeakPolarHBondContact O-CA 3.33Å; F551-L554 PolarHBondContact O-N 2.8Å; R552-L554 PolarHBondContact O-N 2.81Å; L554-G556 VanDerWaalsContact C-N 3.29Å; L554-G556 PolarHBondContact O-N 2.95Å; L554-I569 HydrophobicContact CB-CD1 3.68Å; L554-I569 HydrophobicContact CB-CG1 4.08Å; L554-I569 HydrophobicContact CD1-CB 4.38Å; L554-I569 HydrophobicContact CD1-CD1 3.91Å; L554-I569 HydrophobicContact CD1-CG1 3.8Å; L554-I569 HydrophobicContact CD1-CG2 3.66Å; L554-I569 HydrophobicContact CD2-CD1 4.31Å; L554-I569 HydrophobicContact CD2-CG1 3.72Å; L554-I569 HydrophobicContact CG-CD1 4.15Å; L554-I569 HydrophobicContact CG-CG1 4.04Å |
| 555 | A | 80.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -87.4 | 28.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F551 M559 E560 I561 | F551-A555 HydrophobicContact CD1-CB 3.95Å; F551-A555 HydrophobicContact CD2-CB 4.3Å; F551-A555 HydrophobicContact CE1-CB 3.57Å; F551-A555 HydrophobicContact CE2-CB 3.97Å; F551-A555 HydrophobicContact CG-CB 4.3Å; F551-A555 HydrophobicContact CZ-CB 3.58Å; F551-A555 VanDerWaalsContact O-CB 3.25Å; F551-A555 WeakPolarHBondContact O-CB 3.18Å; F551-A555 PolarHBondContact O-N 3.49Å; A555-M559 VanDerWaalsContact O-CA 3.25Å; A555-M559 WeakPolarHBondContact O-CA 3.45Å; A555-M559 PolarHBondContact O-N 3.45Å; A555-E560 PolarHBondContact O-N 3.24Å; A555-I561 HydrophobicContact CB-CG1 3.79Å |
| 556 | G | 80.2 | Confident | 86.7 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | -155.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L554 | L554-G556 VanDerWaalsContact C-N 3.29Å; L554-G556 PolarHBondContact O-N 2.95Å |
| 557 | E | 82.7 | Confident | 87.2 | Confident | 202 Ų | 202 | 62.9 Ų | 62.9 | 94% | 0.944 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -23.8 | 175.4 | -67.8 | -175.9 | 167.5 | 0 | 0 | 112.6 | M559 | E557-M559 VanDerWaalsContact C-N 3.28Š|
| 558 | D | 88.1 | Confident | 87.5 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.1 | -179.6 | 57 | -17.9 | 0 | 0 | 0 | 113.2 | E560 K604 | D558-E560 PolarHBondContact O-N 2.78Å; D558-K604 IonicContact OD2-NZ 2.79Å; D558-K604 PolarHBondContact OD2-NZ 2.99Å |
| 559 | M | 88.2 | Confident | 87.6 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 28.7 | -179.8 | -67.6 | -77.2 | -63.6 | 0 | 0 | 112.6 | F551 R552 A555 E557 | F551-M559 HydrophobicContact CE1-CE 4.31Å; F551-M559 WeakPolarHBondContact CE1-O 3.41Å; F551-M559 VanDerWaalsContact CZ-O 3.24Å; F551-M559 WeakPolarHBondContact CZ-O 3.16Å; R552-M559 HydrophobicContact CG-CE 3.88Å; R552-M559 HydrophobicContact CG-SD 4.07Å; A555-M559 VanDerWaalsContact O-CA 3.25Å; A555-M559 WeakPolarHBondContact O-CA 3.45Å; A555-M559 PolarHBondContact O-N 3.45Å; E557-M559 VanDerWaalsContact C-N 3.28Å |
| 560 | E | 90.9 | Very high | 87.9 | Confident | 48 Ų | 48 | 64 Ų | 64 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | trans | -132.3 | 148.2 | 177.2 | -65.1 | -176.1 | 134.9 | 0 | 0 | 109.7 | A555 D558 N602 K604 L605 | A555-E560 PolarHBondContact O-N 3.24Å; D558-E560 PolarHBondContact O-N 2.78Å; E560-N602 PolarHBondContact OE1-ND2 2.71Å; E560-K604 HydrophobicContact CB-CB 4Å; E560-K604 HydrophobicContact CB-CD 3.74Å; E560-K604 HydrophobicContact CG-CD 4.5Å; E560-K604 WeakPolarHBondContact OE2-CD 3.28Å; E560-K604 IonicContact OE2-NZ 3.27Å; E560-K604 PolarHBondContact OE2-NZ 3.48Å; E560-K604 VanDerWaalsContact OE2-NZ 3.07Å; E560-L605 WeakPolarHBondContact CA-O 3.45Å | ||
| 561 | I | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 112.9 | 178.3 | -63.9 | 174.7 | 0 | 0 | 0 | 109.1 | F551 A555 E565 L566 I569 K604 L605 F610 | F551-I561 HydrophobicContact CD2-CD1 3.56Å; F551-I561 HydrophobicContact CD2-CG1 4.23Å; F551-I561 HydrophobicContact CE2-CD1 3.46Å; F551-I561 VanDerWaalsContact CE2-CD1 3.46Å; F551-I561 HydrophobicContact CE2-CG1 3.72Å; F551-I561 HydrophobicContact CZ-CG1 4.39Å; A555-I561 HydrophobicContact CB-CG1 3.79Å; I561-E565 HydrophobicContact CG2-CB 3.95Å; I561-L566 HydrophobicContact CG2-CB 3.82Å; I561-L566 HydrophobicContact CG2-CD1 4.41Å; I561-I569 HydrophobicContact CD1-CD1 3.96Å; I561-I569 HydrophobicContact CG1-CD1 4.38Å; I561-I569 HydrophobicContact CG2-CD1 3.87Å; I561-K604 WeakPolarHBondContact O-CA 3.48Å; I561-L605 HydrophobicContact CB-CB 4.41Å; I561-L605 PolarHBondContact N-O 2.56Å; I561-L605 PolarHBondContact O-N 2.68Å; I561-F610 HydrophobicContact CD1-CB 4.27Å; I561-F610 HydrophobicContact CD1-CD1 3.89Å; I561-F610 HydrophobicContact CD1-CD2 3.59Å; I561-F610 HydrophobicContact CD1-CE1 4.08Å; I561-F610 HydrophobicContact CD1-CE2 3.81Å; I561-F610 HydrophobicContact CD1-CG 3.63Å; I561-F610 HydrophobicContact CD1-CZ 4.04Å |
| 562 | S | 92.2 | Very high | 88.5 | Confident | 30 Ų | 30 | 71 Ų | 71 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 163.5 | 170.5 | 72.3 | 0 | 0 | 0 | 0 | 112.2 | K564 E565 L566 | S562-K564 PolarHBondContact O-N 2.62Å; S562-K564 VanDerWaalsContact O-N 3.15Å; S562-E565 WeakPolarHBondContact CA-OE2 3.11Å; S562-E565 WeakPolarHBondContact CB-OE2 3.48Å; S562-E565 PolarHBondContact N-OE2 3.41Å; S562-E565 PolarHBondContact O-N 3.36Å; S562-E565 VanDerWaalsContact O-N 3.1Å; S562-E565 VanDerWaalsContact OG-CD 3.29Å; S562-E565 PolarHBondContact OG-N 2.88Å; S562-E565 PolarHBondContact OG-OE2 2.91Å; S562-L566 WeakPolarHBondContact O-CB 3.22Å; S562-L566 PolarHBondContact O-N 2.97Å |
| 563 | V | 92.9 | Very high | 88.5 | Confident | 27 Ų | 27 | 67 Ų | 67 | 16% | 0.164 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52.3 | -38.7 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 112.8 | R567 L587 C590 R591 V594 | V563-R567 PolarHBondContact O-N 3.38Å; V563-L587 HydrophobicContact CG1-CD2 3.89Å; V563-C590 HydrophobicContact CG1-CB 3.81Å; V563-R591 HydrophobicContact CG1-CG 3.71Å; V563-R591 HydrophobicContact CG2-CG 4.16Å; V563-V594 HydrophobicContact CG2-CB 4.29Å; V563-V594 HydrophobicContact CG2-CG2 3.91Å |
| 564 | K | 91.4 | Very high | 88.6 | Confident | 158 Ų | 158 | 60.3 Ų | 60.3 | 69% | 0.687 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -72.7 | -38.7 | -179.1 | -70.5 | 179.7 | -177.8 | 172.6 | 0 | 111.8 | S562 T568 L587 | S562-K564 PolarHBondContact O-N 2.62Å; S562-K564 VanDerWaalsContact O-N 3.15Å; K564-T568 PolarHBondContact O-N 3Å; K564-T568 VanDerWaalsContact O-N 3.15Å; K564-T568 PolarHBondContact O-OG1 2.8Å; K564-L587 HydrophobicContact CG-CD2 4.47Å |
| 565 | E | 91.5 | Very high | 88.8 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 174.6 | -74.2 | 152.1 | 159.3 | 0 | 0 | 110 | I561 S562 R567 T568 I569 | I561-E565 HydrophobicContact CG2-CB 3.95Å; S562-E565 WeakPolarHBondContact CA-OE2 3.11Å; S562-E565 WeakPolarHBondContact CB-OE2 3.48Å; S562-E565 PolarHBondContact N-OE2 3.41Å; S562-E565 PolarHBondContact O-N 3.36Å; S562-E565 VanDerWaalsContact O-N 3.1Å; S562-E565 VanDerWaalsContact OG-CD 3.29Å; S562-E565 PolarHBondContact OG-N 2.88Å; S562-E565 PolarHBondContact OG-OE2 2.91Å; E565-R567 VanDerWaalsContact C-N 3.3Å; E565-R567 PolarHBondContact O-N 3.45Å; E565-T568 WeakPolarHBondContact O-CA 3.45Å; E565-T568 WeakPolarHBondContact O-CB 3.48Å; E565-T568 PolarHBondContact O-N 3.17Å; E565-I569 HydrophobicContact CB-CD1 4.38Å; E565-I569 WeakPolarHBondContact O-CD1 3.43Å; E565-I569 WeakPolarHBondContact O-CG1 3.49Å; E565-I569 PolarHBondContact O-N 2.95Å |
| 566 | L | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -52.4 | -49.1 | 175.7 | -175.2 | 62.2 | 0 | 0 | 0 | 111.3 | I561 S562 T568 I569 L570 C590 M593 V594 L605 F610 L613 | I561-L566 HydrophobicContact CG2-CB 3.82Å; I561-L566 HydrophobicContact CG2-CD1 4.41Å; S562-L566 WeakPolarHBondContact O-CB 3.22Å; S562-L566 PolarHBondContact O-N 2.97Å; L566-T568 VanDerWaalsContact C-N 3.31Å; L566-T568 PolarHBondContact O-N 2.66Å; L566-I569 PolarHBondContact O-N 2.68Å; L566-L570 HydrophobicContact CD1-CD1 3.81Å; L566-L570 HydrophobicContact CD1-CD2 4.35Å; L566-L570 HydrophobicContact CD1-CG 3.89Å; L566-L570 HydrophobicContact CD2-CD1 4.45Å; L566-L570 HydrophobicContact CG-CD1 3.8Å; L566-L570 HydrophobicContact CG-CG 4.23Å; L566-L570 WeakPolarHBondContact O-CB 3.18Å; L566-L570 VanDerWaalsContact O-CG 3.27Å; L566-L570 WeakPolarHBondContact O-CG 3.27Å; L566-L570 PolarHBondContact O-N 3.08Å; L566-C590 HydrophobicContact CD2-CB 4.14Å; L566-C590 HydrophobicContact CG-CB 4.47Å; L566-M593 HydrophobicContact CD2-CB 4.15Å; L566-V594 HydrophobicContact CD2-CG2 3.83Å; L566-L605 HydrophobicContact CD2-CD1 4.12Å; L566-F610 HydrophobicContact CD1-CD2 4.15Å; L566-F610 HydrophobicContact CD1-CE2 3.74Å; L566-L613 HydrophobicContact CD1-CD2 4.01Å; L566-L613 HydrophobicContact CD2-CD2 3.94Å |
| 567 | R | 94 | Very high | 89.6 | Confident | 107 Ų | 107 | 70.7 Ų | 70.7 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 176 | 179 | 179.3 | 163.3 | -148.7 | -7.2 | 112.1 | V563 E565 N571 C590 | V563-R567 PolarHBondContact O-N 3.38Å; E565-R567 VanDerWaalsContact C-N 3.3Å; E565-R567 PolarHBondContact O-N 3.45Å; R567-N571 WeakPolarHBondContact CG-ND2 3.4Å; R567-N571 WeakPolarHBondContact O-CB 3.22Å; R567-N571 VanDerWaalsContact O-CG 3.22Å; R567-N571 PolarHBondContact O-N 3.18Å; R567-N571 PolarHBondContact O-ND2 2.99Å; R567-C590 VanDerWaalsContact CA-SG 3.51Å; R567-C590 HydrophobicContact CB-CB 4.47Å |
| 568 | T | 90.3 | Very high | 89.8 | Confident | 98 Ų | 98 | 70.6 Ų | 70.6 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | -178.1 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | K564 E565 L566 R572 | K564-T568 PolarHBondContact O-N 3Å; K564-T568 VanDerWaalsContact O-N 3.15Å; K564-T568 PolarHBondContact O-OG1 2.8Å; E565-T568 WeakPolarHBondContact O-CA 3.45Å; E565-T568 WeakPolarHBondContact O-CB 3.48Å; E565-T568 PolarHBondContact O-N 3.17Å; L566-T568 VanDerWaalsContact C-N 3.31Å; L566-T568 PolarHBondContact O-N 2.66Å; T568-R572 WeakPolarHBondContact O-CB 3Å; T568-R572 PolarHBondContact O-N 3.32Å; T568-R572 VanDerWaalsContact O-N 3.07Å |
| 569 | I | 88.6 | Confident | 89.8 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.062 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.9 | -57.1 | 178 | -64.6 | 159.8 | 0 | 0 | 0 | 110.2 | L554 I561 E565 L566 N571 R572 I573 F610 | L554-I569 HydrophobicContact CB-CD1 3.68Å; L554-I569 HydrophobicContact CB-CG1 4.08Å; L554-I569 HydrophobicContact CD1-CB 4.38Å; L554-I569 HydrophobicContact CD1-CD1 3.91Å; L554-I569 HydrophobicContact CD1-CG1 3.8Å; L554-I569 HydrophobicContact CD1-CG2 3.66Å; L554-I569 HydrophobicContact CD2-CD1 4.31Å; L554-I569 HydrophobicContact CD2-CG1 3.72Å; L554-I569 HydrophobicContact CG-CD1 4.15Å; L554-I569 HydrophobicContact CG-CG1 4.04Å; I561-I569 HydrophobicContact CD1-CD1 3.96Å; I561-I569 HydrophobicContact CG1-CD1 4.38Å; I561-I569 HydrophobicContact CG2-CD1 3.87Å; E565-I569 HydrophobicContact CB-CD1 4.38Å; E565-I569 WeakPolarHBondContact O-CD1 3.43Å; E565-I569 WeakPolarHBondContact O-CG1 3.49Å; E565-I569 PolarHBondContact O-N 2.95Å; L566-I569 PolarHBondContact O-N 2.68Å; I569-N571 VanDerWaalsContact C-N 3.32Å; I569-N571 PolarHBondContact O-N 3.04Å; I569-R572 WeakPolarHBondContact O-CB 3.16Å; I569-R572 PolarHBondContact O-N 2.84Å; I569-I573 HydrophobicContact CG2-CD1 4.03Å; I569-I573 WeakPolarHBondContact O-CG1 3.47Å; I569-I573 PolarHBondContact O-N 3.06Å; I569-I573 VanDerWaalsContact O-N 3.15Å; I569-F610 HydrophobicContact CG2-CZ 4.24Å |
| 570 | L | 90.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -38.4 | -173.9 | -63.3 | 178.5 | 0 | 0 | 0 | 111.4 | L566 R572 I573 I574 F585 M593 W614 I617 | L566-L570 HydrophobicContact CD1-CD1 3.81Å; L566-L570 HydrophobicContact CD1-CD2 4.35Å; L566-L570 HydrophobicContact CD1-CG 3.89Å; L566-L570 HydrophobicContact CD2-CD1 4.45Å; L566-L570 HydrophobicContact CG-CD1 3.8Å; L566-L570 HydrophobicContact CG-CG 4.23Å; L566-L570 WeakPolarHBondContact O-CB 3.18Å; L566-L570 VanDerWaalsContact O-CG 3.27Å; L566-L570 WeakPolarHBondContact O-CG 3.27Å; L566-L570 PolarHBondContact O-N 3.08Å; L570-R572 PolarHBondContact O-N 2.74Å; L570-I573 PolarHBondContact O-N 3.48Å; L570-I573 VanDerWaalsContact O-N 3.13Å; L570-I574 PolarHBondContact O-N 3.1Å; L570-F585 HydrophobicContact CB-CD2 3.37Å; L570-F585 HydrophobicContact CB-CE2 3.73Å; L570-F585 HydrophobicContact CB-CG 4.37Å; L570-F585 HydrophobicContact CD1-CD2 3.76Å; L570-F585 HydrophobicContact CD1-CE2 3.86Å; L570-F585 HydrophobicContact CD1-CG 4.27Å; L570-F585 HydrophobicContact CG-CD2 4.17Å; L570-F585 HydrophobicContact CG-CE2 4.26Å; L570-M593 HydrophobicContact CD1-CE 4.48Å; L570-M593 HydrophobicContact CD1-SD 3.77Å; L570-W614 HydrophobicContact CD2-CE3 4.15Å; L570-W614 HydrophobicContact CD2-CZ3 3.74Å; L570-I617 HydrophobicContact CD1-CD1 3.88Å; L570-I617 HydrophobicContact CD2-CD1 3.67Å; L570-I617 HydrophobicContact CG-CD1 4.45Å |
| 571 | N | 92.2 | Very high | 89.8 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.1 | -35.1 | 176.9 | -73.9 | -20.8 | 0 | 0 | 0 | 113.1 | R567 I569 I573 S575 G584 F585 | R567-N571 WeakPolarHBondContact CG-ND2 3.4Å; R567-N571 WeakPolarHBondContact O-CB 3.22Å; R567-N571 VanDerWaalsContact O-CG 3.22Å; R567-N571 PolarHBondContact O-N 3.18Å; R567-N571 PolarHBondContact O-ND2 2.99Å; I569-N571 VanDerWaalsContact C-N 3.32Å; I569-N571 PolarHBondContact O-N 3.04Å; N571-I573 PolarHBondContact O-N 2.64Å; N571-S575 VanDerWaalsContact O-CB 3.31Å; N571-S575 WeakPolarHBondContact O-CB 3.31Å; N571-S575 PolarHBondContact O-N 2.49Å; N571-S575 PolarHBondContact O-OG 2.93Å; N571-G584 WeakPolarHBondContact OD1-CA 3.13Å; N571-F585 PolarHBondContact ND2-O 3.41Å; N571-F585 VanDerWaalsContact ND2-O 3.1Å; N571-F585 PolarHBondContact OD1-N 2.75Å |
| 572 | R | 88.2 | Confident | 89.5 | Confident | 182 Ų | 182 | 72.6 Ų | 72.6 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.5 | -33.9 | 172.4 | -164.5 | 175.3 | -166.7 | 174.3 | 3.7 | 111.4 | T568 I569 L570 S575 | T568-R572 WeakPolarHBondContact O-CB 3Å; T568-R572 PolarHBondContact O-N 3.32Å; T568-R572 VanDerWaalsContact O-N 3.07Å; I569-R572 WeakPolarHBondContact O-CB 3.16Å; I569-R572 PolarHBondContact O-N 2.84Å; L570-R572 PolarHBondContact O-N 2.74Å; R572-S575 PolarHBondContact O-OG 2.91Å |
| 573 | I | 85.6 | Confident | 89.2 | Confident | 43 Ų | 43 | 80.4 Ų | 80.4 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -80.2 | -47.7 | 179.7 | -58.7 | 166.9 | 0 | 0 | 0 | 111.2 | I569 L570 N571 S575 K576 W614 | I569-I573 HydrophobicContact CG2-CD1 4.03Å; I569-I573 WeakPolarHBondContact O-CG1 3.47Å; I569-I573 PolarHBondContact O-N 3.06Å; I569-I573 VanDerWaalsContact O-N 3.15Å; L570-I573 PolarHBondContact O-N 3.48Å; L570-I573 VanDerWaalsContact O-N 3.13Å; N571-I573 PolarHBondContact O-N 2.64Å; I573-S575 PolarHBondContact O-N 3.19Å; I573-K576 WeakPolarHBondContact O-CB 3.49Å; I573-K576 PolarHBondContact O-N 3.17Å; I573-W614 HydrophobicContact CB-CH2 4.25Å; I573-W614 HydrophobicContact CD1-CH2 3.26Å; I573-W614 HydrophobicContact CD1-CZ2 4.09Å; I573-W614 HydrophobicContact CD1-CZ3 3.53Å; I573-W614 HydrophobicContact CG1-CH2 4.26Å; I573-W614 HydrophobicContact CG2-CH2 3.75Å |
| 574 | I | 86.1 | Confident | 89.1 | Confident | 16 Ų | 16 | 79.6 Ų | 79.6 | 8% | 0.082 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.5 | -36.5 | 175.8 | -80.9 | 179.6 | 0 | 0 | 0 | 112 | L570 K576 H577 T582 F585 F672 | L570-I574 PolarHBondContact O-N 3.1Å; I574-K576 PolarHBondContact O-N 2.83Å; I574-H577 WeakPolarHBondContact O-CB 3.37Å; I574-H577 PolarHBondContact O-N 2.83Å; I574-T582 HydrophobicContact CG2-CG2 3.47Å; I574-T582 VanDerWaalsContact CG2-CG2 3.47Å; I574-F585 HydrophobicContact CD1-CD2 3.3Å; I574-F585 HydrophobicContact CD1-CE1 4.47Å; I574-F585 HydrophobicContact CD1-CE2 3.02Å; I574-F585 HydrophobicContact CD1-CG 4.23Å; I574-F585 HydrophobicContact CD1-CZ 3.67Å; I574-F585 HydrophobicContact CG1-CD2 4.41Å; I574-F585 HydrophobicContact CG1-CE2 4.04Å; I574-F672 HydrophobicContact CD1-CD1 3.71Å; I574-F672 HydrophobicContact CD1-CE1 3.98Å; I574-F672 HydrophobicContact CG1-CD1 4.41Å; I574-F672 HydrophobicContact CG1-CE1 4.48Å |
| 575 | S | 86.8 | Confident | 89.3 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.7 | 177.5 | 73.4 | 0 | 0 | 0 | 0 | 114.2 | N571 R572 I573 | N571-S575 VanDerWaalsContact O-CB 3.31Å; N571-S575 WeakPolarHBondContact O-CB 3.31Å; N571-S575 PolarHBondContact O-N 2.49Å; N571-S575 PolarHBondContact O-OG 2.93Å; R572-S575 PolarHBondContact O-OG 2.91Å; I573-S575 PolarHBondContact O-N 3.19Å |
| 576 | K | 88.6 | Confident | 89.4 | Confident | 161 Ų | 161 | 71.3 Ų | 71.3 | 70% | 0.7 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -18 | 174.7 | -59.3 | 179.9 | 174.7 | 178.3 | 0 | 112.9 | I573 I574 K578 | I573-K576 WeakPolarHBondContact O-CB 3.49Å; I573-K576 PolarHBondContact O-N 3.17Å; I574-K576 PolarHBondContact O-N 2.83Å; K576-K578 PolarHBondContact O-N 2.63Å |
| 577 | H | 88.1 | Confident | 89.5 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 26% | 0.255 | 35% | 0.353 | S | S | . | . | trans | -94.9 | 80 | 179.8 | -65.7 | -63.4 | 0 | 0 | 0 | 110.5 | I574 D579 L580 R625 | I574-H577 WeakPolarHBondContact O-CB 3.37Å; I574-H577 PolarHBondContact O-N 2.83Å; H577-D579 VanDerWaalsContact C-OD1 3.3Å; H577-D579 WeakPolarHBondContact CA-OD1 3.39Å; H577-D579 PolarHBondContact O-N 2.95Å; H577-L580 HydrophobicContact CB-CD1 3.81Å; H577-L580 HydrophobicContact CB-CG 4.11Å; H577-L580 PolarHBondContact O-N 3.32Å; H577-R625 PolarHBondContact ND1-NH2 3.19Å | ||
| 578 | K | 86 | Confident | 89.3 | Confident | 199 Ų | 199 | 73 Ų | 73 | 87% | 0.865 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.8 | -177.3 | -63.4 | -171.7 | 178.7 | -175.8 | 0 | 114.4 | K576 L580 | K576-K578 PolarHBondContact O-N 2.63Å; K578-L580 VanDerWaalsContact C-N 3.3Å |
| 579 | D | 89.3 | Confident | 89.5 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21.8 | 175.2 | 54.2 | -52 | 0 | 0 | 0 | 112.9 | H577 R625 G633 | H577-D579 VanDerWaalsContact C-OD1 3.3Å; H577-D579 WeakPolarHBondContact CA-OD1 3.39Å; H577-D579 PolarHBondContact O-N 2.95Å; D579-R625 IonicContact OD1-NH2 2.89Å; D579-R625 PolarHBondContact OD1-NH2 3.47Å; D579-R625 IonicContact OD2-CZ 2.94Å; D579-R625 VanDerWaalsContact OD2-CZ 3.27Å; D579-R625 IonicContact OD2-NE 3.58Å; D579-R625 PolarHBondContact OD2-NE 3.45Å; D579-R625 IonicContact OD2-NH2 3.38Å; D579-R625 PolarHBondContact OD2-NH2 2.9Å; D579-G633 WeakPolarHBondContact O-CA 3.28Å |
| 580 | L | 89.5 | Confident | 89.8 | Confident | 16 Ų | 16 | 67.9 Ų | 67.9 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -87.2 | 130.9 | -177.9 | -59.8 | 175.2 | 0 | 0 | 0 | 111.5 | H577 K578 T582 L621 F624 F672 | H577-L580 HydrophobicContact CB-CD1 3.81Å; H577-L580 HydrophobicContact CB-CG 4.11Å; H577-L580 PolarHBondContact O-N 3.32Å; K578-L580 VanDerWaalsContact C-N 3.3Å; L580-T582 HydrophobicContact CB-CG2 4.09Å; L580-T582 PolarHBondContact O-N 2.9Å; L580-L621 HydrophobicContact CD1-CD1 3.8Å; L580-L621 HydrophobicContact CD2-CD1 4.08Å; L580-L621 HydrophobicContact CG-CD1 4.46Å; L580-F624 HydrophobicContact CD2-CD1 3.81Å; L580-F624 HydrophobicContact CD2-CE1 3.68Å; L580-F672 HydrophobicContact CD1-CB 4.33Å; L580-F672 HydrophobicContact CD1-CD1 4.08Å; L580-F672 HydrophobicContact CD1-CG 4.18Å; L580-F672 HydrophobicContact CD2-CB 4.45Å |
| 581 | R | 88.5 | Confident | 89.9 | Confident | 125 Ų | 125 | 73.5 Ų | 73.5 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | trans | -83.3 | 90.9 | 168.1 | -178.5 | -174.8 | 173 | -162.4 | -3.9 | 108.1 | G633 D667 D671 | R581-G633 WeakPolarHBondContact CB-O 3.46Å; R581-G633 PolarHBondContact N-O 2.95Å; R581-D667 IonicContact CZ-OD2 3Å; R581-D667 VanDerWaalsContact CZ-OD2 3.28Å; R581-D667 IonicContact NH1-OD2 2.78Å; R581-D667 PolarHBondContact NH1-OD2 2.96Å; R581-D667 IonicContact NH2-OD2 3.1Å; R581-D667 PolarHBondContact NH2-OD2 3.48Å; R581-D671 VanDerWaalsContact O-CB 3.23Å; R581-D671 WeakPolarHBondContact O-CB 3.48Å | ||
| 582 | T | 85.3 | Confident | 89.9 | Confident | 39 Ų | 39 | 72 Ų | 72 | 24% | 0.239 | 34% | 0.335 | C | S | . | . | trans | -151.3 | 155.7 | 178 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | I574 L580 G584 D671 | I574-T582 HydrophobicContact CG2-CG2 3.47Å; I574-T582 VanDerWaalsContact CG2-CG2 3.47Å; L580-T582 HydrophobicContact CB-CG2 4.09Å; L580-T582 PolarHBondContact O-N 2.9Å; T582-G584 VanDerWaalsContact C-N 3.26Å; T582-G584 PolarHBondContact OG1-N 2.63Å; T582-G584 VanDerWaalsContact OG1-N 3.1Å; T582-D671 PolarHBondContact OG1-OD2 2.96Å; T582-D671 VanDerWaalsContact OG1-OD2 3.06Å | ||
| 583 | K | 86.3 | Confident | 90.2 | Very high | 194 Ų | 194 | 63.3 Ų | 63.3 | 84% | 0.843 | 30% | 0.302 | S | S | * | . | trans | -87.1 | 1.8 | 170.1 | -63.1 | 172.2 | -172.6 | 158 | 0 | 112.4 | ||||
| 584 | G | 91.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | trans | 86.9 | 165.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N571 T582 S586 | N571-G584 WeakPolarHBondContact OD1-CA 3.13Å; T582-G584 VanDerWaalsContact C-N 3.26Å; T582-G584 PolarHBondContact OG1-N 2.63Å; T582-G584 VanDerWaalsContact OG1-N 3.1Å; G584-S586 PolarHBondContact O-N 3.27Å | ||
| 585 | F | 94.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | trans | -56.9 | 130 | 175.8 | -71.6 | -70.3 | 0 | 0 | 0 | 112.8 | L570 N571 I574 M593 I617 F672 D673 V676 | L570-F585 HydrophobicContact CB-CD2 3.37Å; L570-F585 HydrophobicContact CB-CE2 3.73Å; L570-F585 HydrophobicContact CB-CG 4.37Å; L570-F585 HydrophobicContact CD1-CD2 3.76Å; L570-F585 HydrophobicContact CD1-CE2 3.86Å; L570-F585 HydrophobicContact CD1-CG 4.27Å; L570-F585 HydrophobicContact CG-CD2 4.17Å; L570-F585 HydrophobicContact CG-CE2 4.26Å; N571-F585 PolarHBondContact ND2-O 3.41Å; N571-F585 VanDerWaalsContact ND2-O 3.1Å; N571-F585 PolarHBondContact OD1-N 2.75Å; I574-F585 HydrophobicContact CD1-CD2 3.3Å; I574-F585 HydrophobicContact CD1-CE1 4.47Å; I574-F585 HydrophobicContact CD1-CE2 3.02Å; I574-F585 HydrophobicContact CD1-CG 4.23Å; I574-F585 HydrophobicContact CD1-CZ 3.67Å; I574-F585 HydrophobicContact CG1-CD2 4.41Å; I574-F585 HydrophobicContact CG1-CE2 4.04Å; F585-M593 HydrophobicContact CD1-CE 3.42Å; F585-M593 VanDerWaalsContact CD1-CE 3.42Å; F585-M593 HydrophobicContact CE1-CE 3.27Å; F585-M593 HydrophobicContact CG-CE 4.27Å; F585-M593 HydrophobicContact CZ-CE 3.93Å; F585-I617 HydrophobicContact CZ-CG2 4.49Å; F585-F672 HydrophobicContact CE2-CE1 4.43Å; F585-F672 HydrophobicContact CZ-CD1 4.16Å; F585-F672 AromaticContact CZ-CE1 3.81Å; F585-F672 HydrophobicContact CZ-CE1 3.81Å; F585-D673 HydrophobicContact CD1-CB 4.31Å; F585-D673 WeakPolarHBondContact CD1-OD1 3.4Å; F585-V676 HydrophobicContact CE1-CB 3.88Å; F585-V676 HydrophobicContact CE1-CG1 4.01Å; F585-V676 HydrophobicContact CE1-CG2 4.19Å; F585-V676 HydrophobicContact CZ-CB 4.4Å; F585-V676 HydrophobicContact CZ-CG1 4.39Å; F585-V676 HydrophobicContact CZ-CG2 4.27Å | ||
| 586 | S | 94.5 | Very high | 90.6 | Very high | 42 Ų | 42 | 60 Ų | 60 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | trans | -70.4 | 162 | 169 | 81.6 | 0 | 0 | 0 | 0 | 112.1 | G584 E588 S589 C590 D673 | G584-S586 PolarHBondContact O-N 3.27Å; S586-E588 PolarHBondContact O-N 3.03Å; S586-E588 PolarHBondContact OG-N 2.78Å; S586-S589 PolarHBondContact OG-N 3.4Å; S586-S589 VanDerWaalsContact OG-N 3.07Å; S586-S589 PolarHBondContact OG-OG 3.33Å; S586-C590 PolarHBondContact O-N 2.86Å; S586-C590 PolarHBondContact O-SG 3.1Å; S586-C590 VanDerWaalsContact O-SG 3.41Å; S586-D673 WeakPolarHBondContact CB-OD2 3.44Å; S586-D673 PolarHBondContact N-OD2 3.5Å | ||
| 587 | L | 93.9 | Very high | 90.7 | Very high | 58 Ų | 58 | 52.7 Ų | 52.7 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.5 | -32.6 | 171.4 | -105.4 | 147.1 | 0 | 0 | 0 | 111.9 | V563 K564 R591 | V563-L587 HydrophobicContact CG1-CD2 3.89Å; K564-L587 HydrophobicContact CG-CD2 4.47Å; L587-R591 WeakPolarHBondContact O-CG 3.21Å; L587-R591 PolarHBondContact O-N 3.38Å |
| 588 | E | 91.4 | Very high | 90.6 | Very high | 84 Ų | 84 | 51.4 Ų | 51.4 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70 | -46.7 | -178.3 | -171.6 | 61.9 | -171.9 | 0 | 0 | 111.3 | S586 C590 R591 S592 | S586-E588 PolarHBondContact O-N 3.03Å; S586-E588 PolarHBondContact OG-N 2.78Å; E588-C590 VanDerWaalsContact C-N 3.27Å; E588-C590 PolarHBondContact O-N 3.4Å; E588-R591 WeakPolarHBondContact O-CB 3.22Å; E588-R591 PolarHBondContact O-N 3.48Å; E588-R591 IonicContact OE2-NH1 2.8Å; E588-R591 PolarHBondContact OE2-NH1 2.9Å; E588-R591 VanDerWaalsContact OE2-NH1 3.16Å; E588-S592 PolarHBondContact O-N 2.96Å |
| 589 | S | 93.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.8 | -43 | 174.9 | -49 | 0 | 0 | 0 | 0 | 111.3 | S586 R591 S592 M593 D673 | S586-S589 PolarHBondContact OG-N 3.4Å; S586-S589 VanDerWaalsContact OG-N 3.07Å; S586-S589 PolarHBondContact OG-OG 3.33Å; S589-R591 PolarHBondContact O-N 3.16Å; S589-S592 PolarHBondContact O-N 3.12Å; S589-M593 VanDerWaalsContact O-CG 3.23Å; S589-M593 WeakPolarHBondContact O-CG 3.23Å; S589-M593 PolarHBondContact O-N 3Å; S589-D673 WeakPolarHBondContact CB-OD1 3.38Å; S589-D673 PolarHBondContact OG-OD1 2.98Å |
| 590 | C | 95 | Very high | 90 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -36.3 | 175.4 | -66.9 | 0 | 0 | 0 | 0 | 112.8 | V563 L566 R567 S586 E588 M593 V594 | V563-C590 HydrophobicContact CG1-CB 3.81Å; L566-C590 HydrophobicContact CD2-CB 4.14Å; L566-C590 HydrophobicContact CG-CB 4.47Å; R567-C590 VanDerWaalsContact CA-SG 3.51Å; R567-C590 HydrophobicContact CB-CB 4.47Å; S586-C590 PolarHBondContact O-N 2.86Å; S586-C590 PolarHBondContact O-SG 3.1Å; S586-C590 VanDerWaalsContact O-SG 3.41Å; E588-C590 VanDerWaalsContact C-N 3.27Å; E588-C590 PolarHBondContact O-N 3.4Å; C590-M593 PolarHBondContact O-N 3.32Å; C590-V594 WeakPolarHBondContact O-CG2 3.45Å; C590-V594 PolarHBondContact O-N 3.32Å |
| 591 | R | 92.6 | Very high | 89.6 | Confident | 121 Ų | 121 | 52.9 Ų | 52.9 | 46% | 0.457 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -47.6 | 173.1 | -74.2 | -176.8 | -170.9 | 126 | -3.3 | 111.6 | V563 L587 E588 S589 M593 V594 N595 | V563-R591 HydrophobicContact CG1-CG 3.71Å; V563-R591 HydrophobicContact CG2-CG 4.16Å; L587-R591 WeakPolarHBondContact O-CG 3.21Å; L587-R591 PolarHBondContact O-N 3.38Å; E588-R591 WeakPolarHBondContact O-CB 3.22Å; E588-R591 PolarHBondContact O-N 3.48Å; E588-R591 IonicContact OE2-NH1 2.8Å; E588-R591 PolarHBondContact OE2-NH1 2.9Å; E588-R591 VanDerWaalsContact OE2-NH1 3.16Å; S589-R591 PolarHBondContact O-N 3.16Å; R591-M593 VanDerWaalsContact C-N 3.26Å; R591-M593 PolarHBondContact O-N 2.96Å; R591-V594 PolarHBondContact O-N 3.02Å; R591-N595 WeakPolarHBondContact O-CB 3.23Å; R591-N595 VanDerWaalsContact O-CG 3.28Å; R591-N595 PolarHBondContact O-N 2.84Å; R591-N595 PolarHBondContact O-OD1 3.25Å |
| 592 | S | 92.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -37.4 | 177.1 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | E588 S589 N595 L596 V680 | E588-S592 PolarHBondContact O-N 2.96Å; S589-S592 PolarHBondContact O-N 3.12Å; S592-N595 PolarHBondContact O-N 3.46Å; S592-L596 PolarHBondContact O-N 2.93Å; S592-V680 VanDerWaalsContact C-CG1 3.46Å; S592-V680 VanDerWaalsContact O-CG1 3.26Å; S592-V680 WeakPolarHBondContact O-CG1 3.3Å |
| 593 | M | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.1 | -72.2 | 173.2 | -153.9 | 0 | 0 | 112.5 | L566 L570 F585 S589 C590 R591 L596 M597 L613 I617 V676 V680 | L566-M593 HydrophobicContact CD2-CB 4.15Å; L570-M593 HydrophobicContact CD1-CE 4.48Å; L570-M593 HydrophobicContact CD1-SD 3.77Å; F585-M593 HydrophobicContact CD1-CE 3.42Å; F585-M593 VanDerWaalsContact CD1-CE 3.42Å; F585-M593 HydrophobicContact CE1-CE 3.27Å; F585-M593 HydrophobicContact CG-CE 4.27Å; F585-M593 HydrophobicContact CZ-CE 3.93Å; S589-M593 VanDerWaalsContact O-CG 3.23Å; S589-M593 WeakPolarHBondContact O-CG 3.23Å; S589-M593 PolarHBondContact O-N 3Å; C590-M593 PolarHBondContact O-N 3.32Å; R591-M593 VanDerWaalsContact C-N 3.26Å; R591-M593 PolarHBondContact O-N 2.96Å; M593-L596 PolarHBondContact O-N 3.28Å; M593-M597 VanDerWaalsContact O-CG 3.27Å; M593-M597 WeakPolarHBondContact O-CG 3.11Å; M593-M597 PolarHBondContact O-N 3.15Å; M593-L613 HydrophobicContact CB-CD1 3.95Å; M593-L613 HydrophobicContact CB-CD2 4.03Å; M593-L613 HydrophobicContact CG-CD1 4.02Å; M593-L613 HydrophobicContact SD-CD1 4.37Å; M593-I617 HydrophobicContact SD-CD1 4.04Å; M593-V676 HydrophobicContact CE-CB 4.34Å; M593-V676 HydrophobicContact CE-CG1 3.44Å; M593-V676 VanDerWaalsContact CE-CG1 3.44Å; M593-V680 HydrophobicContact CG-CG1 4.27Å; M593-V680 HydrophobicContact CG-CG2 4Å |
| 594 | V | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -50.3 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | V563 L566 C590 R591 L596 M597 D598 L605 | V563-V594 HydrophobicContact CG2-CB 4.29Å; V563-V594 HydrophobicContact CG2-CG2 3.91Å; L566-V594 HydrophobicContact CD2-CG2 3.83Å; C590-V594 WeakPolarHBondContact O-CG2 3.45Å; C590-V594 PolarHBondContact O-N 3.32Å; R591-V594 PolarHBondContact O-N 3.02Å; V594-L596 PolarHBondContact O-N 3.18Å; V594-L596 VanDerWaalsContact O-N 3.12Å; V594-M597 PolarHBondContact O-N 3.41Å; V594-D598 HydrophobicContact CG1-CB 4.11Å; V594-D598 WeakPolarHBondContact O-CB 3.43Å; V594-D598 PolarHBondContact O-N 3.07Å; V594-L605 HydrophobicContact CG1-CD2 4.4Å; V594-L605 HydrophobicContact CG1-CG 4.47Å; V594-L605 HydrophobicContact CG2-CD1 3.98Å; V594-L605 HydrophobicContact CG2-CG 4.04Å |
| 595 | N | 87.4 | Confident | 90 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60 | -28.2 | -179.2 | -69.1 | -4.8 | 0 | 0 | 0 | 113.9 | R591 S592 F713 | R591-N595 WeakPolarHBondContact O-CB 3.23Å; R591-N595 VanDerWaalsContact O-CG 3.28Å; R591-N595 PolarHBondContact O-N 2.84Å; R591-N595 PolarHBondContact O-OD1 3.25Å; S592-N595 PolarHBondContact O-N 3.46Å; N595-F713 PolarHBondContact ND2-O 2.85Å |
| 596 | L | 88 | Confident | 89.9 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.6 | -32.6 | 174.7 | 178.1 | 63.2 | 0 | 0 | 0 | 112.3 | S592 M593 V594 V680 E683 T684 | S592-L596 PolarHBondContact O-N 2.93Å; M593-L596 PolarHBondContact O-N 3.28Å; V594-L596 PolarHBondContact O-N 3.18Å; V594-L596 VanDerWaalsContact O-N 3.12Å; L596-V680 HydrophobicContact CB-CG1 3.98Å; L596-V680 HydrophobicContact CD2-CB 4.32Å; L596-V680 HydrophobicContact CD2-CG1 3.86Å; L596-V680 HydrophobicContact CD2-CG2 4.37Å; L596-E683 HydrophobicContact CD1-CB 4.23Å; L596-E683 HydrophobicContact CD1-CG 3.88Å; L596-E683 HydrophobicContact CD2-CB 4.31Å; L596-E683 HydrophobicContact CD2-CG 4.36Å; L596-T684 WeakPolarHBondContact CB-OG1 3.43Å; L596-T684 VanDerWaalsContact CD1-OG1 3.29Å; L596-T684 WeakPolarHBondContact CD1-OG1 3.35Å |
| 597 | M | 89.8 | Confident | 89.6 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -103.4 | -28 | -167.9 | -63.9 | -76.9 | 97.3 | 0 | 0 | 113.7 | M593 V594 R599 L605 E609 I612 L613 | M593-M597 VanDerWaalsContact O-CG 3.27Å; M593-M597 WeakPolarHBondContact O-CG 3.11Å; M593-M597 PolarHBondContact O-N 3.15Å; V594-M597 PolarHBondContact O-N 3.41Å; M597-R599 PolarHBondContact O-N 3.08Å; M597-L605 HydrophobicContact CB-CD2 3.47Å; M597-L605 VanDerWaalsContact CB-CD2 3.47Å; M597-E609 HydrophobicContact CB-CB 4.42Å; M597-E609 WeakPolarHBondContact O-CG 3.38Å; M597-I612 HydrophobicContact CE-CG2 4.28Å; M597-I612 HydrophobicContact SD-CB 4.22Å; M597-I612 HydrophobicContact SD-CG2 3.78Å; M597-L613 HydrophobicContact CG-CB 3.92Å; M597-L613 HydrophobicContact CG-CD1 4.04Å; M597-L613 HydrophobicContact CG-CG 4.36Å; M597-L613 HydrophobicContact SD-CB 3.93Å; M597-L613 HydrophobicContact SD-CD1 4.48Å |
| 598 | D | 87 | Confident | 89.4 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 15% | 0.15 | 23% | 0.225 | C | C | . | . | trans | -66.7 | 94.7 | 179.5 | 175.7 | 11.4 | 0 | 0 | 0 | 110.1 | V594 D600 G601 N602 G603 | V594-D598 HydrophobicContact CG1-CB 4.11Å; V594-D598 WeakPolarHBondContact O-CB 3.43Å; V594-D598 PolarHBondContact O-N 3.07Å; D598-D600 PolarHBondContact OD1-N 3.21Å; D598-G601 VanDerWaalsContact OD1-CA 3.3Å; D598-G601 WeakPolarHBondContact OD1-CA 3.36Å; D598-G601 PolarHBondContact OD1-N 2.78Å; D598-G601 WeakPolarHBondContact OD2-CA 3.26Å; D598-N602 PolarHBondContact OD1-N 3.44Å; D598-N602 VanDerWaalsContact OD1-N 3.15Å; D598-N602 PolarHBondContact OD2-N 2.85Å; D598-G603 VanDerWaalsContact OD2-CA 3.26Å; D598-G603 WeakPolarHBondContact OD2-CA 3.26Å; D598-G603 PolarHBondContact OD2-N 3.38Å | ||
| 599 | R | 79.1 | Confident | 89.3 | Confident | 156 Ų | 156 | 38.7 Ų | 38.7 | 59% | 0.589 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -85.9 | -19.9 | -177.6 | -70.8 | -178.1 | 178.6 | -168.4 | 1.2 | 112.6 | E535 M597 E609 | E535-R599 IonicContact OE2-CZ 3.2Å; E535-R599 IonicContact OE2-NH2 2.67Å; E535-R599 PolarHBondContact OE2-NH2 2.72Å; M597-R599 PolarHBondContact O-N 3.08Å; R599-E609 PolarHBondContact N-OE1 2.81Å |
| 600 | D | 82.5 | Confident | 89.2 | Confident | 106 Ų | 106 | 38.8 Ų | 38.8 | 57% | 0.567 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -96.7 | -11.8 | -177.9 | 71.9 | 5.1 | 0 | 0 | 0 | 113.2 | D598 N602 | D598-D600 PolarHBondContact OD1-N 3.21Å; D600-N602 VanDerWaalsContact CG-ND2 3.35Å; D600-N602 VanDerWaalsContact OD1-CB 3.3Å; D600-N602 WeakPolarHBondContact OD1-CB 3.45Å; D600-N602 PolarHBondContact OD1-N 3.45Å; D600-N602 PolarHBondContact OD1-ND2 3.37Å; D600-N602 VanDerWaalsContact OD1-ND2 3.1Å; D600-N602 PolarHBondContact OD2-ND2 3.04Å |
| 601 | G | 82.4 | Confident | 88.9 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 63% | 0.629 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 80.4 | 20.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D598 | D598-G601 VanDerWaalsContact OD1-CA 3.3Å; D598-G601 WeakPolarHBondContact OD1-CA 3.36Å; D598-G601 PolarHBondContact OD1-N 2.78Å; D598-G601 WeakPolarHBondContact OD2-CA 3.26Å |
| 602 | N | 88.3 | Confident | 88.8 | Confident | 64 Ų | 64 | 34.1 Ų | 34.1 | 34% | 0.342 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -86.3 | -8.1 | -175.4 | 80.4 | 27.4 | 0 | 0 | 0 | 113.9 | E560 D598 D600 K604 | E560-N602 PolarHBondContact OE1-ND2 2.71Å; D598-N602 PolarHBondContact OD1-N 3.44Å; D598-N602 VanDerWaalsContact OD1-N 3.15Å; D598-N602 PolarHBondContact OD2-N 2.85Å; D600-N602 VanDerWaalsContact CG-ND2 3.35Å; D600-N602 VanDerWaalsContact OD1-CB 3.3Å; D600-N602 WeakPolarHBondContact OD1-CB 3.45Å; D600-N602 PolarHBondContact OD1-N 3.45Å; D600-N602 PolarHBondContact OD1-ND2 3.37Å; D600-N602 VanDerWaalsContact OD1-ND2 3.1Å; D600-N602 PolarHBondContact OD2-ND2 3.04Å; N602-K604 WeakPolarHBondContact OD1-CA 3.31Å; N602-K604 VanDerWaalsContact OD1-CB 3.3Å; N602-K604 WeakPolarHBondContact OD1-CB 3.37Å; N602-K604 PolarHBondContact OD1-N 3.17Å |
| 603 | G | 87.6 | Confident | 88.7 | Confident | 35 Ų | 35 | 34.1 Ų | 34.1 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 81.1 | 15.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D598 | D598-G603 VanDerWaalsContact OD2-CA 3.26Å; D598-G603 WeakPolarHBondContact OD2-CA 3.26Å; D598-G603 PolarHBondContact OD2-N 3.38Å |
| 604 | K | 91.8 | Very high | 88.5 | Confident | 57 Ų | 57 | 36 Ų | 36 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -177.8 | 178.7 | -55.6 | 174.6 | -175.6 | 173.9 | 0 | 110.2 | D558 E560 I561 N602 | D558-K604 IonicContact OD2-NZ 2.79Å; D558-K604 PolarHBondContact OD2-NZ 2.99Å; E560-K604 HydrophobicContact CB-CB 4Å; E560-K604 HydrophobicContact CB-CD 3.74Å; E560-K604 HydrophobicContact CG-CD 4.5Å; E560-K604 WeakPolarHBondContact OE2-CD 3.28Å; E560-K604 IonicContact OE2-NZ 3.27Å; E560-K604 PolarHBondContact OE2-NZ 3.48Å; E560-K604 VanDerWaalsContact OE2-NZ 3.07Å; I561-K604 WeakPolarHBondContact O-CA 3.48Å; N602-K604 WeakPolarHBondContact OD1-CA 3.31Å; N602-K604 VanDerWaalsContact OD1-CB 3.3Å; N602-K604 WeakPolarHBondContact OD1-CB 3.37Å; N602-K604 PolarHBondContact OD1-N 3.17Å |
| 605 | L | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.8 | -178.3 | -60.4 | 174.1 | 0 | 0 | 0 | 112.1 | E560 I561 L566 V594 M597 E609 F610 L613 | E560-L605 WeakPolarHBondContact CA-O 3.45Å; I561-L605 HydrophobicContact CB-CB 4.41Å; I561-L605 PolarHBondContact N-O 2.56Å; I561-L605 PolarHBondContact O-N 2.68Å; L566-L605 HydrophobicContact CD2-CD1 4.12Å; V594-L605 HydrophobicContact CG1-CD2 4.4Å; V594-L605 HydrophobicContact CG1-CG 4.47Å; V594-L605 HydrophobicContact CG2-CD1 3.98Å; V594-L605 HydrophobicContact CG2-CG 4.04Å; M597-L605 HydrophobicContact CB-CD2 3.47Å; M597-L605 VanDerWaalsContact CB-CD2 3.47Å; L605-E609 WeakPolarHBondContact CA-OE2 3.32Å; L605-E609 HydrophobicContact CB-CB 4.43Å; L605-E609 HydrophobicContact CD2-CB 3.97Å; L605-F610 HydrophobicContact CB-CB 4.43Å; L605-L613 HydrophobicContact CD1-CD2 3.59Å |
| 606 | G | 91.6 | Very high | 88.5 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | trans | -74.8 | 177.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V608 E609 F610 | G606-V608 PolarHBondContact O-N 2.94Å; G606-E609 PolarHBondContact N-OE2 2.84Å; G606-E609 PolarHBondContact O-N 3.47Å; G606-F610 VanDerWaalsContact O-CB 3.3Å; G606-F610 WeakPolarHBondContact O-CB 3.39Å; G606-F610 PolarHBondContact O-N 2.89Å | ||
| 607 | L | 89.3 | Confident | 88.7 | Confident | 18 Ų | 18 | 38 Ų | 38 | 9% | 0.094 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | -177 | 174.2 | 64.2 | 0 | 0 | 0 | 112.8 | E540 I543 F547 K548 F551 N611 | E540-L607 HydrophobicContact CG-CD2 4.07Å; I543-L607 HydrophobicContact CD1-CD2 4.34Å; I543-L607 HydrophobicContact CD1-CG 4Å; F547-L607 HydrophobicContact CD1-CD1 4.25Å; F547-L607 HydrophobicContact CE1-CD1 4.34Å; K548-L607 HydrophobicContact CD-CD2 4.24Å; K548-L607 HydrophobicContact CG-CD1 4.32Å; K548-L607 HydrophobicContact CG-CD2 3.93Å; F551-L607 HydrophobicContact CB-CD1 3.57Å; F551-L607 HydrophobicContact CD1-CB 4.06Å; F551-L607 HydrophobicContact CD1-CD1 3.73Å; F551-L607 HydrophobicContact CD1-CG 4.44Å; F551-L607 HydrophobicContact CD2-CD1 4.05Å; F551-L607 HydrophobicContact CE1-CB 3.91Å; F551-L607 HydrophobicContact CE1-CD1 4.44Å; F551-L607 HydrophobicContact CE2-CB 4.45Å; F551-L607 HydrophobicContact CG-CB 4.4Å; F551-L607 HydrophobicContact CG-CD1 3.5Å; F551-L607 HydrophobicContact CZ-CB 4.12Å; L607-N611 WeakPolarHBondContact O-CB 3.39Å; L607-N611 PolarHBondContact O-N 2.94Å |
| 608 | V | 88.7 | Confident | 88.7 | Confident | 39 Ų | 39 | 45 Ų | 45 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.4 | -46.2 | -177.6 | -180 | 0 | 0 | 0 | 0 | 110.7 | V537 E540 I543 G606 F610 N611 I612 | V537-V608 HydrophobicContact CG1-CG1 3.91Å; E540-V608 HydrophobicContact CG-CG2 3.83Å; I543-V608 HydrophobicContact CD1-CG2 4.16Å; G606-V608 PolarHBondContact O-N 2.94Å; V608-F610 PolarHBondContact O-N 2.89Å; V608-N611 WeakPolarHBondContact O-CB 3.35Å; V608-N611 PolarHBondContact O-N 3.26Å; V608-I612 HydrophobicContact CG1-CD1 4.22Å; V608-I612 WeakPolarHBondContact O-CG1 3.39Å; V608-I612 PolarHBondContact O-N 3.17Å |
| 609 | E | 90.5 | Very high | 89 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 178.9 | -62.4 | 170.7 | 148.4 | 0 | 0 | 111.2 | M597 R599 L605 G606 N611 I612 L613 | M597-E609 HydrophobicContact CB-CB 4.42Å; M597-E609 WeakPolarHBondContact O-CG 3.38Å; R599-E609 PolarHBondContact N-OE1 2.81Å; L605-E609 WeakPolarHBondContact CA-OE2 3.32Å; L605-E609 HydrophobicContact CB-CB 4.43Å; L605-E609 HydrophobicContact CD2-CB 3.97Å; G606-E609 PolarHBondContact N-OE2 2.84Å; G606-E609 PolarHBondContact O-N 3.47Å; E609-N611 VanDerWaalsContact C-N 3.33Å; E609-N611 PolarHBondContact O-N 3.42Å; E609-I612 PolarHBondContact O-N 2.7Å; E609-L613 WeakPolarHBondContact O-CB 3.35Å; E609-L613 PolarHBondContact O-N 2.96Å |
| 610 | F | 90.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -36.5 | 175.3 | -177.1 | -109.3 | 0 | 0 | 0 | 112.4 | F547 F551 I561 L566 I569 L605 G606 V608 L613 W614 | F547-F610 AromaticContact CE1-CD1 3.81Å; F547-F610 HydrophobicContact CE1-CD1 3.81Å; F547-F610 HydrophobicContact CE1-CE1 4.27Å; F547-F610 HydrophobicContact CE2-CD1 4.5Å; F547-F610 HydrophobicContact CE2-CE1 4.22Å; F547-F610 AromaticContact CZ-CD1 3.47Å; F547-F610 HydrophobicContact CZ-CD1 3.47Å; F547-F610 VanDerWaalsContact CZ-CD1 3.47Å; F547-F610 AromaticContact CZ-CE1 3.59Å; F547-F610 HydrophobicContact CZ-CE1 3.59Å; F551-F610 HydrophobicContact CD2-CB 4.06Å; F551-F610 AromaticContact CD2-CD1 3.65Å; F551-F610 HydrophobicContact CD2-CD1 3.65Å; F551-F610 HydrophobicContact CD2-CE1 4.43Å; F551-F610 HydrophobicContact CD2-CG 4.06Å; F551-F610 HydrophobicContact CE2-CB 3.92Å; F551-F610 HydrophobicContact CE2-CD1 4.33Å; F551-F610 HydrophobicContact CE2-CG 4.29Å; I561-F610 HydrophobicContact CD1-CB 4.27Å; I561-F610 HydrophobicContact CD1-CD1 3.89Å; I561-F610 HydrophobicContact CD1-CD2 3.59Å; I561-F610 HydrophobicContact CD1-CE1 4.08Å; I561-F610 HydrophobicContact CD1-CE2 3.81Å; I561-F610 HydrophobicContact CD1-CG 3.63Å; I561-F610 HydrophobicContact CD1-CZ 4.04Å; L566-F610 HydrophobicContact CD1-CD2 4.15Å; L566-F610 HydrophobicContact CD1-CE2 3.74Å; I569-F610 HydrophobicContact CG2-CZ 4.24Å; L605-F610 HydrophobicContact CB-CB 4.43Å; G606-F610 VanDerWaalsContact O-CB 3.3Å; G606-F610 WeakPolarHBondContact O-CB 3.39Å; G606-F610 PolarHBondContact O-N 2.89Å; V608-F610 PolarHBondContact O-N 2.89Å; F610-L613 PolarHBondContact O-N 3.03Å; F610-W614 VanDerWaalsContact O-CB 3.28Å; F610-W614 WeakPolarHBondContact O-CB 3.46Å; F610-W614 PolarHBondContact O-N 3.49Å |
| 611 | N | 89.1 | Confident | 90.2 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.1 | -173 | -91.8 | 0 | 0 | 0 | 112 | I543 F547 L607 V608 E609 W614 N615 | I543-N611 HydrophobicContact CD1-CB 4.01Å; F547-N611 HydrophobicContact CD1-CB 4.28Å; F547-N611 VanDerWaalsContact CD1-ND2 3.32Å; F547-N611 WeakPolarHBondContact CD1-ND2 3.43Å; F547-N611 HydrophobicContact CE1-CB 3.62Å; F547-N611 VanDerWaalsContact CE1-ND2 3.33Å; F547-N611 WeakPolarHBondContact CE1-ND2 3.48Å; F547-N611 HydrophobicContact CZ-CB 4.14Å; L607-N611 WeakPolarHBondContact O-CB 3.39Å; L607-N611 PolarHBondContact O-N 2.94Å; V608-N611 WeakPolarHBondContact O-CB 3.35Å; V608-N611 PolarHBondContact O-N 3.26Å; E609-N611 VanDerWaalsContact C-N 3.33Å; E609-N611 PolarHBondContact O-N 3.42Å; N611-W614 WeakPolarHBondContact O-CB 3.29Å; N611-W614 PolarHBondContact O-N 2.81Å; N611-N615 PolarHBondContact O-N 3.5Å; N611-N615 PolarHBondContact O-ND2 3.1Å; N611-N615 PolarHBondContact OD1-ND2 3.26Å; N611-N615 VanDerWaalsContact OD1-ND2 3.16Å |
| 612 | I | 89.3 | Confident | 90.7 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 177 | -65.5 | 167.1 | 0 | 0 | 0 | 110.1 | E535 V537 M597 V608 E609 W614 N615 R616 | E535-I612 HydrophobicContact CG-CD1 4.27Å; E535-I612 HydrophobicContact CG-CG2 3.9Å; E535-I612 WeakPolarHBondContact OE1-CG2 3.37Å; V537-I612 HydrophobicContact CG2-CD1 4.21Å; M597-I612 HydrophobicContact CE-CG2 4.28Å; M597-I612 HydrophobicContact SD-CB 4.22Å; M597-I612 HydrophobicContact SD-CG2 3.78Å; V608-I612 HydrophobicContact CG1-CD1 4.22Å; V608-I612 WeakPolarHBondContact O-CG1 3.39Å; V608-I612 PolarHBondContact O-N 3.17Å; E609-I612 PolarHBondContact O-N 2.7Å; I612-W614 VanDerWaalsContact C-N 3.28Å; I612-W614 PolarHBondContact O-N 2.94Å; I612-N615 PolarHBondContact O-N 3.34Å; I612-R616 WeakPolarHBondContact O-CG 3.39Å; I612-R616 PolarHBondContact O-N 2.84Å |
| 613 | L | 91.3 | Very high | 91 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.2 | -43.1 | 176.9 | -178.8 | 58.7 | 0 | 0 | 0 | 111.7 | L566 M593 M597 L605 E609 F610 N615 R616 I617 | L566-L613 HydrophobicContact CD1-CD2 4.01Å; L566-L613 HydrophobicContact CD2-CD2 3.94Å; M593-L613 HydrophobicContact CB-CD1 3.95Å; M593-L613 HydrophobicContact CB-CD2 4.03Å; M593-L613 HydrophobicContact CG-CD1 4.02Å; M593-L613 HydrophobicContact SD-CD1 4.37Å; M597-L613 HydrophobicContact CG-CB 3.92Å; M597-L613 HydrophobicContact CG-CD1 4.04Å; M597-L613 HydrophobicContact CG-CG 4.36Å; M597-L613 HydrophobicContact SD-CB 3.93Å; M597-L613 HydrophobicContact SD-CD1 4.48Å; L605-L613 HydrophobicContact CD1-CD2 3.59Å; E609-L613 WeakPolarHBondContact O-CB 3.35Å; E609-L613 PolarHBondContact O-N 2.96Å; F610-L613 PolarHBondContact O-N 3.03Å; L613-N615 PolarHBondContact O-N 3.24Å; L613-R616 WeakPolarHBondContact O-CB 3.46Å; L613-R616 PolarHBondContact O-N 3.39Å; L613-I617 HydrophobicContact CD1-CD1 4.12Å; L613-I617 HydrophobicContact CD1-CG1 4.28Å; L613-I617 HydrophobicContact CG-CD1 3.99Å; L613-I617 WeakPolarHBondContact O-CG1 3.02Å; L613-I617 PolarHBondContact O-N 2.87Å |
| 614 | W | 89.3 | Confident | 91.4 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 15% | 0.152 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 179.9 | -174.3 | -111.5 | 0 | 0 | 0 | 112.2 | F547 L570 I573 F610 N611 I612 R616 I617 R618 | F547-W614 HydrophobicContact CE2-CB 3.93Å; F547-W614 AromaticContact CE2-CD1 3.41Å; F547-W614 VanDerWaalsContact CE2-CD1 3.41Å; F547-W614 HydrophobicContact CE2-CD2 4.43Å; F547-W614 AromaticContact CE2-CG 3.64Å; F547-W614 HydrophobicContact CE2-CG 3.64Å; F547-W614 HydrophobicContact CZ-CB 3.87Å; F547-W614 HydrophobicContact CZ-CG 4.1Å; L570-W614 HydrophobicContact CD2-CE3 4.15Å; L570-W614 HydrophobicContact CD2-CZ3 3.74Å; I573-W614 HydrophobicContact CB-CH2 4.25Å; I573-W614 HydrophobicContact CD1-CH2 3.26Å; I573-W614 HydrophobicContact CD1-CZ2 4.09Å; I573-W614 HydrophobicContact CD1-CZ3 3.53Å; I573-W614 HydrophobicContact CG1-CH2 4.26Å; I573-W614 HydrophobicContact CG2-CH2 3.75Å; F610-W614 VanDerWaalsContact O-CB 3.28Å; F610-W614 WeakPolarHBondContact O-CB 3.46Å; F610-W614 PolarHBondContact O-N 3.49Å; N611-W614 WeakPolarHBondContact O-CB 3.29Å; N611-W614 PolarHBondContact O-N 2.81Å; I612-W614 VanDerWaalsContact C-N 3.28Å; I612-W614 PolarHBondContact O-N 2.94Å; W614-R616 VanDerWaalsContact C-N 3.3Å; W614-R616 PolarHBondContact O-N 2.97Å; W614-I617 PolarHBondContact O-N 3.37Å; W614-R618 WeakPolarHBondContact O-CG 3.45Å; W614-R618 PolarHBondContact O-N 3.46Å |
| 615 | N | 89.1 | Confident | 91.4 | Very high | 76 Ų | 76 | 34.7 Ų | 34.7 | 41% | 0.406 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 177 | -69.7 | -30.6 | 0 | 0 | 0 | 111.7 | N611 I612 L613 R618 N619 | N611-N615 PolarHBondContact O-N 3.5Å; N611-N615 PolarHBondContact O-ND2 3.1Å; N611-N615 PolarHBondContact OD1-ND2 3.26Å; N611-N615 VanDerWaalsContact OD1-ND2 3.16Å; I612-N615 PolarHBondContact O-N 3.34Å; L613-N615 PolarHBondContact O-N 3.24Å; N615-R618 PolarHBondContact O-N 2.94Å; N615-N619 PolarHBondContact O-N 3.41Å |
| 616 | R | 90.6 | Very high | 91.5 | Very high | 26 Ų | 26 | 41 Ų | 41 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -50 | 174.2 | -71.2 | 166.5 | 166.9 | -79.2 | 3.8 | 112.2 | E535 I612 L613 W614 R618 N619 Y620 E683 | E535-R616 IonicContact OE1-CZ 3.07Å; E535-R616 IonicContact OE1-NE 2.87Å; E535-R616 PolarHBondContact OE1-NE 2.99Å; E535-R616 IonicContact OE1-NH2 3.28Å; E535-R616 PolarHBondContact OE1-NH2 3.21Å; I612-R616 WeakPolarHBondContact O-CG 3.39Å; I612-R616 PolarHBondContact O-N 2.84Å; L613-R616 WeakPolarHBondContact O-CB 3.46Å; L613-R616 PolarHBondContact O-N 3.39Å; W614-R616 VanDerWaalsContact C-N 3.3Å; W614-R616 PolarHBondContact O-N 2.97Å; R616-R618 VanDerWaalsContact C-N 3.26Å; R616-R618 PolarHBondContact O-N 3.39Å; R616-N619 WeakPolarHBondContact O-CB 3.13Å; R616-N619 PolarHBondContact O-N 3.16Å; R616-N619 VanDerWaalsContact O-N 3.08Å; R616-Y620 HydrophobicContact CB-CE2 4.1Å; R616-Y620 PolarHBondContact NH1-OH 3.11Å; R616-Y620 WeakPolarHBondContact O-CD2 3.39Å; R616-Y620 VanDerWaalsContact O-CG 3.24Å; R616-Y620 PolarHBondContact O-N 2.98Å; R616-E683 IonicContact CZ-OE1 3.55Å; R616-E683 VanDerWaalsContact CZ-OE1 3.22Å; R616-E683 IonicContact CZ-OE2 3.5Å; R616-E683 IonicContact NH1-OE1 2.88Å; R616-E683 PolarHBondContact NH1-OE1 2.74Å; R616-E683 IonicContact NH1-OE2 3.25Å; R616-E683 PolarHBondContact NH1-OE2 3.13Å; R616-E683 IonicContact NH2-OE1 2.87Å; R616-E683 PolarHBondContact NH2-OE1 2.74Å; R616-E683 IonicContact NH2-OE2 3.91Å |
| 617 | I | 91.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 178 | -67.6 | 171.6 | 0 | 0 | 0 | 110.7 | L570 F585 M593 L613 W614 Y620 L621 F672 | L570-I617 HydrophobicContact CD1-CD1 3.88Å; L570-I617 HydrophobicContact CD2-CD1 3.67Å; L570-I617 HydrophobicContact CG-CD1 4.45Å; F585-I617 HydrophobicContact CZ-CG2 4.49Å; M593-I617 HydrophobicContact SD-CD1 4.04Å; L613-I617 HydrophobicContact CD1-CD1 4.12Å; L613-I617 HydrophobicContact CD1-CG1 4.28Å; L613-I617 HydrophobicContact CG-CD1 3.99Å; L613-I617 WeakPolarHBondContact O-CG1 3.02Å; L613-I617 PolarHBondContact O-N 2.87Å; W614-I617 PolarHBondContact O-N 3.37Å; I617-Y620 PolarHBondContact O-N 3.47Å; I617-L621 WeakPolarHBondContact O-CB 3.38Å; I617-L621 PolarHBondContact O-N 3.05Å; I617-F672 HydrophobicContact CG2-CE1 4.48Å; I617-F672 HydrophobicContact CG2-CZ 4.4Å |
| 618 | R | 90.9 | Very high | 91.5 | Very high | 156 Ų | 156 | 41 Ų | 41 | 59% | 0.589 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -63.1 | -42.3 | 174.8 | -74.2 | -177.5 | 65.3 | 161 | 2.1 | 112.5 | W614 N615 R616 L621 S622 | W614-R618 WeakPolarHBondContact O-CG 3.45Å; W614-R618 PolarHBondContact O-N 3.46Å; N615-R618 PolarHBondContact O-N 2.94Å; R616-R618 VanDerWaalsContact C-N 3.26Å; R616-R618 PolarHBondContact O-N 3.39Å; R618-L621 PolarHBondContact O-N 2.89Å; R618-S622 PolarHBondContact O-N 2.72Å |
| 619 | N | 92.1 | Very high | 91.2 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63 | -47.5 | 175.4 | -173.9 | 31.9 | 0 | 0 | 0 | 111 | N615 R616 L621 S622 I623 | N615-N619 PolarHBondContact O-N 3.41Å; R616-N619 WeakPolarHBondContact O-CB 3.13Å; R616-N619 PolarHBondContact O-N 3.16Å; R616-N619 VanDerWaalsContact O-N 3.08Å; N619-L621 VanDerWaalsContact C-N 3.3Å; N619-L621 PolarHBondContact O-N 2.75Å; N619-S622 WeakPolarHBondContact O-CB 3.39Å; N619-S622 PolarHBondContact O-N 3.37Å; N619-I623 WeakPolarHBondContact O-CG1 3.31Å; N619-I623 PolarHBondContact O-N 2.83Å |
| 620 | Y | 94 | Very high | 90.9 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -39.2 | 176.5 | -59.2 | -27.5 | 0 | 0 | 0 | 112.1 | R616 I617 S622 I623 F624 V676 L679 V680 E683 | R616-Y620 HydrophobicContact CB-CE2 4.1Å; R616-Y620 PolarHBondContact NH1-OH 3.11Å; R616-Y620 WeakPolarHBondContact O-CD2 3.39Å; R616-Y620 VanDerWaalsContact O-CG 3.24Å; R616-Y620 PolarHBondContact O-N 2.98Å; I617-Y620 PolarHBondContact O-N 3.47Å; Y620-S622 VanDerWaalsContact C-N 3.32Å; Y620-S622 PolarHBondContact O-N 3.08Å; Y620-I623 PolarHBondContact O-N 3.14Å; Y620-F624 WeakPolarHBondContact O-CB 3.27Å; Y620-F624 PolarHBondContact O-N 3.3Å; Y620-V676 HydrophobicContact CD2-CG1 4.02Å; Y620-V676 HydrophobicContact CD2-CG2 4.24Å; Y620-V676 HydrophobicContact CE2-CG1 4.48Å; Y620-L679 HydrophobicContact CD1-CD1 3.48Å; Y620-L679 VanDerWaalsContact CD1-CD1 3.48Å; Y620-L679 HydrophobicContact CD2-CD1 4.44Å; Y620-L679 HydrophobicContact CE1-CB 4.34Å; Y620-L679 HydrophobicContact CE1-CD1 3.68Å; Y620-L679 HydrophobicContact CE2-CB 4.35Å; Y620-L679 HydrophobicContact CG-CD1 3.91Å; Y620-V680 HydrophobicContact CE2-CG2 4.26Å; Y620-E683 PolarHBondContact OH-OE2 3.36Å |
| 621 | L | 93.3 | Very high | 90.8 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 174.3 | -177.1 | 60 | 0 | 0 | 0 | 112.3 | L580 I617 R618 N619 R625 F672 | L580-L621 HydrophobicContact CD1-CD1 3.8Å; L580-L621 HydrophobicContact CD2-CD1 4.08Å; L580-L621 HydrophobicContact CG-CD1 4.46Å; I617-L621 WeakPolarHBondContact O-CB 3.38Å; I617-L621 PolarHBondContact O-N 3.05Å; R618-L621 PolarHBondContact O-N 2.89Å; N619-L621 VanDerWaalsContact C-N 3.3Å; N619-L621 PolarHBondContact O-N 2.75Å; L621-R625 WeakPolarHBondContact O-CG 3.19Å; L621-R625 PolarHBondContact O-N 3.42Å; L621-R625 VanDerWaalsContact O-N 3.09Å; L621-F672 HydrophobicContact CB-CE2 3.99Å; L621-F672 HydrophobicContact CB-CZ 3.72Å; L621-F672 HydrophobicContact CD1-CD2 4.3Å; L621-F672 HydrophobicContact CD1-CE1 4.31Å; L621-F672 HydrophobicContact CD1-CE2 3.91Å; L621-F672 HydrophobicContact CD1-CZ 3.91Å; L621-F672 HydrophobicContact CG-CZ 4.38Å |
| 622 | S | 93.9 | Very high | 90.8 | Very high | 77 Ų | 77 | 58.5 Ų | 58.5 | 54% | 0.538 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | R618 N619 Y620 K626 | R618-S622 PolarHBondContact O-N 2.72Å; N619-S622 WeakPolarHBondContact O-CB 3.39Å; N619-S622 PolarHBondContact O-N 3.37Å; Y620-S622 VanDerWaalsContact C-N 3.32Å; Y620-S622 PolarHBondContact O-N 3.08Å; S622-K626 WeakPolarHBondContact O-CB 3.42Å; S622-K626 PolarHBondContact O-N 3.41Å; S622-K626 VanDerWaalsContact O-N 3.12Å |
| 623 | I | 94.8 | Very high | 90.8 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 176.8 | -66.3 | 169.4 | 0 | 0 | 0 | 109.8 | N619 Y620 R625 K626 F627 A643 A647 F675 | N619-I623 WeakPolarHBondContact O-CG1 3.31Å; N619-I623 PolarHBondContact O-N 2.83Å; Y620-I623 PolarHBondContact O-N 3.14Å; I623-R625 PolarHBondContact O-N 2.73Å; I623-K626 WeakPolarHBondContact O-CB 3.27Å; I623-K626 PolarHBondContact O-N 2.98Å; I623-F627 HydrophobicContact CG2-CD2 3.82Å; I623-F627 HydrophobicContact CG2-CE2 4.02Å; I623-F627 VanDerWaalsContact O-CD2 3.26Å; I623-F627 WeakPolarHBondContact O-CD2 3.13Å; I623-F627 PolarHBondContact O-N 3Å; I623-F627 VanDerWaalsContact O-N 3.16Å; I623-A643 HydrophobicContact CG2-CB 4.03Å; I623-A647 HydrophobicContact CD1-CB 3.93Å; I623-F675 HydrophobicContact CG2-CZ 3.97Å |
| 624 | F | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54 | -51 | 179.4 | -171.2 | -85.3 | 0 | 0 | 0 | 111.4 | L580 Y620 K626 F627 D628 M635 F672 F675 | L580-F624 HydrophobicContact CD2-CD1 3.81Å; L580-F624 HydrophobicContact CD2-CE1 3.68Å; Y620-F624 WeakPolarHBondContact O-CB 3.27Å; Y620-F624 PolarHBondContact O-N 3.3Å; F624-K626 VanDerWaalsContact C-N 3.26Å; F624-K626 PolarHBondContact O-N 3.09Å; F624-F627 PolarHBondContact O-N 2.86Å; F624-F627 VanDerWaalsContact O-N 3.15Å; F624-D628 WeakPolarHBondContact O-CB 3.35Å; F624-D628 PolarHBondContact O-N 3.08Å; F624-M635 HydrophobicContact CD2-CE 3.42Å; F624-M635 VanDerWaalsContact CD2-CE 3.42Å; F624-M635 HydrophobicContact CD2-CG 3.97Å; F624-M635 HydrophobicContact CD2-SD 3.89Å; F624-M635 HydrophobicContact CE2-CE 3.72Å; F624-M635 HydrophobicContact CE2-CG 3.78Å; F624-M635 HydrophobicContact CE2-SD 4.26Å; F624-M635 HydrophobicContact CG-CE 4.4Å; F624-M635 HydrophobicContact CG-CG 4.49Å; F624-M635 HydrophobicContact CG-SD 4.39Å; F624-M635 HydrophobicContact CZ-CG 4.15Å; F624-F672 HydrophobicContact CB-CD2 3.9Å; F624-F672 HydrophobicContact CB-CE2 4.04Å; F624-F672 HydrophobicContact CD1-CD2 4.24Å; F624-F672 HydrophobicContact CD2-CB 4.45Å; F624-F672 AromaticContact CD2-CD2 3.69Å; F624-F672 HydrophobicContact CD2-CD2 3.69Å; F624-F672 HydrophobicContact CE2-CB 4.13Å; F624-F672 HydrophobicContact CE2-CD2 4.22Å; F624-F672 AromaticContact CG-CD2 3.68Å; F624-F672 HydrophobicContact CG-CD2 3.68Å; F624-F672 HydrophobicContact CG-CE2 4.34Å; F624-F672 HydrophobicContact CZ-CB 4.15Å; F624-F675 HydrophobicContact CB-CD1 4.17Å; F624-F675 HydrophobicContact CB-CE1 4.07Å; F624-F675 HydrophobicContact CD2-CB 4.03Å; F624-F675 AromaticContact CD2-CD1 3.66Å; F624-F675 HydrophobicContact CD2-CD1 3.66Å; F624-F675 HydrophobicContact CD2-CE1 4.27Å; F624-F675 AromaticContact CD2-CG 3.92Å; F624-F675 HydrophobicContact CD2-CG 3.92Å; F624-F675 HydrophobicContact CE2-CB 4.15Å; F624-F675 HydrophobicContact CG-CD1 4.41Å |
| 625 | R | 93.1 | Very high | 90.8 | Very high | 102 Ų | 102 | 56.2 Ų | 56.2 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -29.3 | 177.6 | -76.7 | -176.5 | 170.8 | 136.1 | 7.4 | 114.3 | H577 D579 L621 I623 F627 | H577-R625 PolarHBondContact ND1-NH2 3.19Å; D579-R625 IonicContact OD1-NH2 2.89Å; D579-R625 PolarHBondContact OD1-NH2 3.47Å; D579-R625 IonicContact OD2-CZ 2.94Å; D579-R625 VanDerWaalsContact OD2-CZ 3.27Å; D579-R625 IonicContact OD2-NE 3.58Å; D579-R625 PolarHBondContact OD2-NE 3.45Å; D579-R625 IonicContact OD2-NH2 3.38Å; D579-R625 PolarHBondContact OD2-NH2 2.9Å; L621-R625 WeakPolarHBondContact O-CG 3.19Å; L621-R625 PolarHBondContact O-N 3.42Å; L621-R625 VanDerWaalsContact O-N 3.09Å; I623-R625 PolarHBondContact O-N 2.73Å; R625-F627 VanDerWaalsContact C-N 3.32Å |
| 626 | K | 93.7 | Very high | 90.7 | Very high | 132 Ų | 132 | 54.6 Ų | 54.6 | 57% | 0.574 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70.5 | -32.2 | 177.9 | -179.4 | -177.2 | 173.1 | -171.7 | 0 | 111.5 | S622 I623 F624 | S622-K626 WeakPolarHBondContact O-CB 3.42Å; S622-K626 PolarHBondContact O-N 3.41Å; S622-K626 VanDerWaalsContact O-N 3.12Å; I623-K626 WeakPolarHBondContact O-CB 3.27Å; I623-K626 PolarHBondContact O-N 2.98Å; F624-K626 VanDerWaalsContact C-N 3.26Å; F624-K626 PolarHBondContact O-N 3.09Å |
| 627 | F | 91.3 | Very high | 90.1 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -107.2 | -6.7 | -174.9 | -67.3 | -71.1 | 0 | 0 | 0 | 114.7 | I623 F624 R625 L629 M635 E639 M642 A643 | I623-F627 HydrophobicContact CG2-CD2 3.82Å; I623-F627 HydrophobicContact CG2-CE2 4.02Å; I623-F627 VanDerWaalsContact O-CD2 3.26Å; I623-F627 WeakPolarHBondContact O-CD2 3.13Å; I623-F627 PolarHBondContact O-N 3Å; I623-F627 VanDerWaalsContact O-N 3.16Å; F624-F627 PolarHBondContact O-N 2.86Å; F624-F627 VanDerWaalsContact O-N 3.15Å; R625-F627 VanDerWaalsContact C-N 3.32Å; F627-L629 PolarHBondContact O-N 3.25Å; F627-M635 HydrophobicContact CB-SD 4.11Å; F627-E639 HydrophobicContact CB-CB 4.45Å; F627-E639 VanDerWaalsContact O-CB 3.3Å; F627-E639 WeakPolarHBondContact O-CB 2.91Å; F627-E639 WeakPolarHBondContact O-CG 3Å; F627-M642 HydrophobicContact CD1-CB 3.76Å; F627-M642 HydrophobicContact CD1-CE 3.69Å; F627-M642 HydrophobicContact CE1-CB 3.69Å; F627-M642 HydrophobicContact CE1-CE 3.51Å; F627-M642 HydrophobicContact CZ-CB 4.41Å; F627-A643 HydrophobicContact CB-CB 4.11Å; F627-A643 HydrophobicContact CD2-CB 3.85Å; F627-A643 HydrophobicContact CG-CB 4.12Å |
| 628 | D | 89.8 | Confident | 89.6 | Confident | 18 Ų | 18 | 55 Ų | 55 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | trans | -72.2 | 73.2 | 160.9 | -179.8 | 13.7 | 0 | 0 | 0 | 109.2 | F624 D630 K631 S632 G633 | F624-D628 WeakPolarHBondContact O-CB 3.35Å; F624-D628 PolarHBondContact O-N 3.08Å; D628-D630 VanDerWaalsContact C-N 3.29Å; D628-D630 PolarHBondContact O-N 2.99Å; D628-K631 PolarHBondContact O-N 3.44Å; D628-K631 VanDerWaalsContact OD1-CA 3.23Å; D628-K631 WeakPolarHBondContact OD1-CA 3.24Å; D628-K631 PolarHBondContact OD1-N 3.3Å; D628-S632 PolarHBondContact OD1-N 2.91Å; D628-S632 PolarHBondContact OD1-OG 3Å; D628-G633 VanDerWaalsContact OD2-CA 3.24Å; D628-G633 WeakPolarHBondContact OD2-CA 3.15Å; D628-G633 PolarHBondContact OD2-N 3.42Å | ||
| 629 | L | 82.5 | Confident | 89.4 | Confident | 109 Ų | 109 | 48.3 Ų | 48.3 | 57% | 0.571 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -31.4 | -170.1 | -62.7 | 175.5 | 0 | 0 | 0 | 111.6 | F627 K631 E639 | F627-L629 PolarHBondContact O-N 3.25Å; L629-K631 VanDerWaalsContact C-N 3.34Å; L629-E639 WeakPolarHBondContact CB-OE1 3.26Å; L629-E639 HydrophobicContact CD1-CG 4.46Å; L629-E639 PolarHBondContact N-OE1 3.42Å |
| 630 | D | 84.8 | Confident | 89.3 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.4 | 177.8 | 72.1 | -1.1 | 0 | 0 | 0 | 113.6 | D628 S632 | D628-D630 VanDerWaalsContact C-N 3.29Å; D628-D630 PolarHBondContact O-N 2.99Å; D630-S632 PolarHBondContact O-N 3.41Å; D630-S632 WeakPolarHBondContact OD1-CB 3.39Å; D630-S632 PolarHBondContact OD1-N 3.22Å; D630-S632 PolarHBondContact OD1-OG 3.39Å |
| 631 | K | 86.9 | Confident | 89 | Confident | 180 Ų | 180 | 45.1 Ų | 45.1 | 78% | 0.783 | 23% | 0.227 | S | C | * | . | trans | 56.9 | 34.2 | -178.1 | -55.7 | -178.4 | 179.4 | 179 | 0 | 112.1 | D628 L629 G633 | D628-K631 PolarHBondContact O-N 3.44Å; D628-K631 VanDerWaalsContact OD1-CA 3.23Å; D628-K631 WeakPolarHBondContact OD1-CA 3.24Å; D628-K631 PolarHBondContact OD1-N 3.3Å; L629-K631 VanDerWaalsContact C-N 3.34Å; K631-G633 PolarHBondContact O-N 2.99Å | ||
| 632 | S | 89.8 | Confident | 88.7 | Confident | 51 Ų | 51 | 47.2 Ų | 47.2 | 36% | 0.357 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -72.9 | -12.7 | 176.2 | 65 | 0 | 0 | 0 | 0 | 112.6 | D628 D630 S634 | D628-S632 PolarHBondContact OD1-N 2.91Å; D628-S632 PolarHBondContact OD1-OG 3Å; D630-S632 PolarHBondContact O-N 3.41Å; D630-S632 WeakPolarHBondContact OD1-CB 3.39Å; D630-S632 PolarHBondContact OD1-N 3.22Å; D630-S632 PolarHBondContact OD1-OG 3.39Å; S632-S634 PolarHBondContact OG-N 3.02Å; S632-S634 PolarHBondContact OG-O 3.06Å; S632-S634 PolarHBondContact OG-OG 3.27Å |
| 633 | G | 89.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 78.9 | 5.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D579 R581 D628 K631 | D579-G633 WeakPolarHBondContact O-CA 3.28Å; R581-G633 WeakPolarHBondContact CB-O 3.46Å; R581-G633 PolarHBondContact N-O 2.95Å; D628-G633 VanDerWaalsContact OD2-CA 3.24Å; D628-G633 WeakPolarHBondContact OD2-CA 3.15Å; D628-G633 PolarHBondContact OD2-N 3.42Å; K631-G633 PolarHBondContact O-N 2.99Å |
| 634 | S | 91.5 | Very high | 88.7 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -136.1 | 159.4 | 177.1 | 48.8 | 0 | 0 | 0 | 0 | 109.5 | S632 | S632-S634 PolarHBondContact OG-N 3.02Å; S632-S634 PolarHBondContact OG-O 3.06Å; S632-S634 PolarHBondContact OG-OG 3.27Å |
| 635 | M | 90.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.1 | 171.3 | -67.2 | -170.1 | -63.3 | 0 | 0 | 110.2 | F624 F627 E639 M640 A643 V670 F675 | F624-M635 HydrophobicContact CD2-CE 3.42Å; F624-M635 VanDerWaalsContact CD2-CE 3.42Å; F624-M635 HydrophobicContact CD2-CG 3.97Å; F624-M635 HydrophobicContact CD2-SD 3.89Å; F624-M635 HydrophobicContact CE2-CE 3.72Å; F624-M635 HydrophobicContact CE2-CG 3.78Å; F624-M635 HydrophobicContact CE2-SD 4.26Å; F624-M635 HydrophobicContact CG-CE 4.4Å; F624-M635 HydrophobicContact CG-CG 4.49Å; F624-M635 HydrophobicContact CG-SD 4.39Å; F624-M635 HydrophobicContact CZ-CG 4.15Å; F627-M635 HydrophobicContact CB-SD 4.11Å; M635-E639 HydrophobicContact CB-CB 4.11Å; M635-E639 HydrophobicContact CG-CB 4.41Å; M635-M640 HydrophobicContact CE-SD 3.83Å; M635-A643 HydrophobicContact CE-CB 4.01Å; M635-A643 HydrophobicContact SD-CB 3.66Å; M635-V670 PolarHBondContact N-O 3.05Å; M635-V670 PolarHBondContact O-N 3.43Å; M635-F675 HydrophobicContact CE-CB 3.96Å; M635-F675 HydrophobicContact CE-CD1 4.07Å; M635-F675 HydrophobicContact CE-CD2 3.17Å; M635-F675 HydrophobicContact CE-CE1 4.31Å; M635-F675 HydrophobicContact CE-CE2 3.47Å; M635-F675 VanDerWaalsContact CE-CE2 3.47Å; M635-F675 HydrophobicContact CE-CG 3.46Å; M635-F675 VanDerWaalsContact CE-CG 3.46Å; M635-F675 HydrophobicContact CE-CZ 4.02Å |
| 636 | S | 86.5 | Confident | 88.4 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 159.2 | 161.1 | 67 | 0 | 0 | 0 | 0 | 110.4 | Y638 E639 M640 | S636-Y638 PolarHBondContact O-N 2.59Å; S636-Y638 VanDerWaalsContact O-N 3.15Å; S636-E639 VanDerWaalsContact CB-OE2 3.3Å; S636-E639 WeakPolarHBondContact CB-OE2 3.43Å; S636-E639 PolarHBondContact N-OE2 3.25Å; S636-E639 PolarHBondContact O-N 3.36Å; S636-E639 VanDerWaalsContact O-N 3.14Å; S636-E639 VanDerWaalsContact OG-CD 3.3Å; S636-E639 WeakPolarHBondContact OG-CG 3.38Å; S636-E639 PolarHBondContact OG-N 2.89Å; S636-E639 PolarHBondContact OG-OE2 3.14Å; S636-M640 PolarHBondContact O-N 3.44Å |
| 637 | A | 78 | Confident | 88.4 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 5% | 0.05 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -22.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G378 I660 | G378-A637 VanDerWaalsContact C-CB 3.49Å; G378-A637 CarbonylContact O-C 3.56Å; G378-A637 WeakPolarHBondContact O-CB 3.42Å; A637-I660 HydrophobicContact CB-CB 4.44Å; A637-I660 HydrophobicContact CB-CD1 3.41Å; A637-I660 VanDerWaalsContact CB-CD1 3.41Å; A637-I660 HydrophobicContact CB-CG1 3.77Å; A637-I660 HydrophobicContact CB-CG2 3.78Å |
| 638 | Y | 80.1 | Confident | 88.5 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 16% | 0.161 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.3 | -41.9 | 173.3 | -52.5 | -58.7 | 0 | 0 | 0 | 112.6 | G378 T390 V393 S636 M640 R641 | G378-Y638 WeakPolarHBondContact O-CE1 3.33Å; T390-Y638 HydrophobicContact CG2-CD2 3.94Å; T390-Y638 HydrophobicContact CG2-CE1 4.23Å; T390-Y638 HydrophobicContact CG2-CE2 3.45Å; T390-Y638 VanDerWaalsContact CG2-CE2 3.45Å; V393-Y638 HydrophobicContact CB-CD1 4.2Å; V393-Y638 HydrophobicContact CB-CE1 4.23Å; V393-Y638 HydrophobicContact CG1-CD1 3.7Å; V393-Y638 HydrophobicContact CG1-CE1 4.14Å; V393-Y638 HydrophobicContact CG2-CD1 3.99Å; V393-Y638 HydrophobicContact CG2-CE1 3.52Å; S636-Y638 PolarHBondContact O-N 2.59Å; S636-Y638 VanDerWaalsContact O-N 3.15Å; Y638-M640 VanDerWaalsContact C-N 3.28Å; Y638-M640 PolarHBondContact O-N 2.98Å; Y638-R641 PolarHBondContact O-N 2.86Å |
| 639 | E | 87.6 | Confident | 88.7 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -36.5 | 174.5 | -71.2 | 161.8 | 143.8 | 0 | 0 | 110.8 | F627 L629 M635 S636 R641 M642 A643 | F627-E639 HydrophobicContact CB-CB 4.45Å; F627-E639 VanDerWaalsContact O-CB 3.3Å; F627-E639 WeakPolarHBondContact O-CB 2.91Å; F627-E639 WeakPolarHBondContact O-CG 3Å; L629-E639 WeakPolarHBondContact CB-OE1 3.26Å; L629-E639 HydrophobicContact CD1-CG 4.46Å; L629-E639 PolarHBondContact N-OE1 3.42Å; M635-E639 HydrophobicContact CB-CB 4.11Å; M635-E639 HydrophobicContact CG-CB 4.41Å; S636-E639 VanDerWaalsContact CB-OE2 3.3Å; S636-E639 WeakPolarHBondContact CB-OE2 3.43Å; S636-E639 PolarHBondContact N-OE2 3.25Å; S636-E639 PolarHBondContact O-N 3.36Å; S636-E639 VanDerWaalsContact O-N 3.14Å; S636-E639 VanDerWaalsContact OG-CD 3.3Å; S636-E639 WeakPolarHBondContact OG-CG 3.38Å; S636-E639 PolarHBondContact OG-N 2.89Å; S636-E639 PolarHBondContact OG-OE2 3.14Å; E639-R641 VanDerWaalsContact C-N 3.28Å; E639-R641 PolarHBondContact O-N 3.42Å; E639-M642 PolarHBondContact O-N 2.87Å; E639-M642 VanDerWaalsContact O-N 3.1Å; E639-A643 WeakPolarHBondContact O-CB 3.32Å; E639-A643 PolarHBondContact O-N 3.1Å |
| 640 | M | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.1 | -41.5 | 174.6 | -175.2 | 58.9 | 164.9 | 0 | 0 | 112.2 | M635 S636 Y638 M642 A643 I644 I659 I660 V670 F675 C678 | M635-M640 HydrophobicContact CE-SD 3.83Å; S636-M640 PolarHBondContact O-N 3.44Å; Y638-M640 VanDerWaalsContact C-N 3.28Å; Y638-M640 PolarHBondContact O-N 2.98Å; M640-M642 PolarHBondContact O-N 3.31Å; M640-A643 PolarHBondContact O-N 3.24Å; M640-I644 HydrophobicContact CE-CD1 3.88Å; M640-I644 HydrophobicContact CE-CG1 4.24Å; M640-I644 HydrophobicContact CG-CD1 3.87Å; M640-I644 HydrophobicContact CG-CG1 4.45Å; M640-I644 WeakPolarHBondContact O-CB 3.46Å; M640-I644 VanDerWaalsContact O-CG1 3.22Å; M640-I644 WeakPolarHBondContact O-CG1 3.48Å; M640-I644 PolarHBondContact O-N 3.03Å; M640-I644 HydrophobicContact SD-CD1 4.04Å; M640-I644 HydrophobicContact SD-CG1 4.13Å; M640-I659 HydrophobicContact CE-CG2 3.87Å; M640-I659 HydrophobicContact CG-CG2 4.47Å; M640-I660 HydrophobicContact CB-CD1 4.03Å; M640-I660 HydrophobicContact CG-CD1 3.88Å; M640-V670 HydrophobicContact CE-CG1 4.17Å; M640-V670 HydrophobicContact CG-CG2 4.47Å; M640-V670 HydrophobicContact SD-CG1 4.25Å; M640-F675 HydrophobicContact CE-CD2 3.8Å; M640-F675 HydrophobicContact CE-CE2 4.49Å; M640-F675 HydrophobicContact SD-CD2 3.49Å; M640-F675 WeakPolarHBondContact SD-CD2 3.45Å; M640-F675 HydrophobicContact SD-CE2 3.93Å; M640-C678 HydrophobicContact CE-CB 3.92Å |
| 641 | R | 87.9 | Confident | 89.4 | Confident | 17 Ų | 17 | 30 Ų | 30 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.1 | -179.9 | 166.3 | -170.6 | -177.8 | 4.4 | 111.8 | H459 D526 Y638 E639 E645 Y656 | H459-R641 VanDerWaalsContact CB-NH2 3.33Å; H459-R641 PolarHBondContact CD2-NH1 3.42Å; H459-R641 PolarHBondContact CD2-NH2 3.41Å; H459-R641 PolarHBondContact CE1-NH1 3.44Å; H459-R641 VanDerWaalsContact CE1-NH1 3.25Å; H459-R641 PolarHBondContact ND1-NH2 2.87Å; H459-R641 PolarHBondContact NE2-NH1 3.04Å; H459-R641 VanDerWaalsContact NE2-NH1 3.15Å; D526-R641 IonicContact OD2-NH2 3.99Å; D526-R641 PolarHBondContact OD2-NH2 2.79Å; Y638-R641 PolarHBondContact O-N 2.86Å; E639-R641 VanDerWaalsContact C-N 3.28Å; E639-R641 PolarHBondContact O-N 3.42Å; R641-E645 PolarHBondContact O-N 2.95Å; R641-Y656 HydrophobicContact CB-CD1 4.33Å; R641-Y656 HydrophobicContact CB-CE1 4.12Å; R641-Y656 HydrophobicContact CG-CD1 4.27Å; R641-Y656 HydrophobicContact CG-CD2 4.29Å; R641-Y656 HydrophobicContact CG-CE1 3.84Å; R641-Y656 HydrophobicContact CG-CE2 3.82Å; R641-Y656 HydrophobicContact CG-CG 4.5Å |
| 642 | M | 88 | Confident | 89.5 | Confident | 63 Ų | 63 | 23.5 Ų | 23.5 | 31% | 0.31 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -69.8 | -36.4 | 179.5 | -67.6 | 173.8 | 42 | 0 | 0 | 112.2 | W392 F627 E639 M640 E645 S646 | W392-M642 HydrophobicContact CH2-CG 4.18Å; W392-M642 HydrophobicContact CH2-SD 4.31Å; W392-M642 HydrophobicContact CZ2-SD 4.24Å; F627-M642 HydrophobicContact CD1-CB 3.76Å; F627-M642 HydrophobicContact CD1-CE 3.69Å; F627-M642 HydrophobicContact CE1-CB 3.69Å; F627-M642 HydrophobicContact CE1-CE 3.51Å; F627-M642 HydrophobicContact CZ-CB 4.41Å; E639-M642 PolarHBondContact O-N 2.87Å; E639-M642 VanDerWaalsContact O-N 3.1Å; M640-M642 PolarHBondContact O-N 3.31Å; M642-E645 PolarHBondContact O-N 2.82Å; M642-S646 WeakPolarHBondContact O-CB 3.47Å; M642-S646 PolarHBondContact O-N 3.17Å |
| 643 | A | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I623 F627 M635 E639 M640 S646 A647 F675 | I623-A643 HydrophobicContact CG2-CB 4.03Å; F627-A643 HydrophobicContact CB-CB 4.11Å; F627-A643 HydrophobicContact CD2-CB 3.85Å; F627-A643 HydrophobicContact CG-CB 4.12Å; M635-A643 HydrophobicContact CE-CB 4.01Å; M635-A643 HydrophobicContact SD-CB 3.66Å; E639-A643 WeakPolarHBondContact O-CB 3.32Å; E639-A643 PolarHBondContact O-N 3.1Å; M640-A643 PolarHBondContact O-N 3.24Å; A643-S646 PolarHBondContact O-N 3.27Å; A643-A647 WeakPolarHBondContact O-CB 3.32Å; A643-A647 PolarHBondContact O-N 3.39Å; A643-F675 HydrophobicContact CB-CE2 3.84Å; A643-F675 HydrophobicContact CB-CZ 4.05Å |
| 644 | I | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 175.6 | -71.4 | 169.1 | 0 | 0 | 0 | 110.9 | M640 S646 A647 G648 F649 L651 Y656 I659 L679 L682 | M640-I644 HydrophobicContact CE-CD1 3.88Å; M640-I644 HydrophobicContact CE-CG1 4.24Å; M640-I644 HydrophobicContact CG-CD1 3.87Å; M640-I644 HydrophobicContact CG-CG1 4.45Å; M640-I644 WeakPolarHBondContact O-CB 3.46Å; M640-I644 VanDerWaalsContact O-CG1 3.22Å; M640-I644 WeakPolarHBondContact O-CG1 3.48Å; M640-I644 PolarHBondContact O-N 3.03Å; M640-I644 HydrophobicContact SD-CD1 4.04Å; M640-I644 HydrophobicContact SD-CG1 4.13Å; I644-S646 VanDerWaalsContact C-N 3.34Å; I644-S646 PolarHBondContact O-N 3.48Å; I644-A647 WeakPolarHBondContact O-CB 3.41Å; I644-A647 PolarHBondContact O-N 2.75Å; I644-A647 VanDerWaalsContact O-N 3.11Å; I644-G648 PolarHBondContact O-N 3.11Å; I644-F649 CarbonylContact C-O 3.59Å; I644-F649 HydrophobicContact CG2-CB 3.59Å; I644-F649 HydrophobicContact CG2-CG 4.47Å; I644-F649 PolarHBondContact O-N 3.34Å; I644-F649 VanDerWaalsContact O-N 3.09Å; I644-L651 HydrophobicContact CG2-CD1 3.91Å; I644-L651 HydrophobicContact CG2-CG 4.34Å; I644-Y656 HydrophobicContact CB-CE1 4.17Å; I644-Y656 HydrophobicContact CD1-CD1 4.19Å; I644-Y656 HydrophobicContact CD1-CE1 3.89Å; I644-Y656 HydrophobicContact CG2-CE1 4.05Å; I644-I659 HydrophobicContact CD1-CD1 4Å; I644-I659 HydrophobicContact CD1-CG2 4.07Å; I644-L679 HydrophobicContact CG1-CD2 4.1Å; I644-L682 HydrophobicContact CG2-CD2 4.48Å |
| 645 | E | 91.1 | Very high | 89.1 | Confident | 50 Ų | 50 | 28.7 Ų | 28.7 | 23% | 0.234 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 173.6 | -78.4 | 179 | -172.5 | 0 | 0 | 112 | K461 R641 M642 A647 G648 F649 K650 | K461-E645 IonicContact NZ-OE1 3.84Å; K461-E645 PolarHBondContact NZ-OE1 2.79Å; K461-E645 IonicContact NZ-OE2 2.69Å; K461-E645 PolarHBondContact NZ-OE2 3.25Å; R641-E645 PolarHBondContact O-N 2.95Å; M642-E645 PolarHBondContact O-N 2.82Å; E645-A647 PolarHBondContact O-N 2.9Å; E645-G648 PolarHBondContact O-N 2.75Å; E645-F649 WeakPolarHBondContact CA-O 3.3Å; E645-F649 PolarHBondContact N-O 3.18Å; E645-K650 HydrophobicContact CG-CG 4.47Å |
| 646 | S | 91.6 | Very high | 89 | Confident | 52 Ų | 52 | 29 Ų | 29 | 36% | 0.364 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.8 | -20.7 | 176.9 | -170.7 | 0 | 0 | 0 | 0 | 113.6 | M642 A643 I644 | M642-S646 WeakPolarHBondContact O-CB 3.47Å; M642-S646 PolarHBondContact O-N 3.17Å; A643-S646 PolarHBondContact O-N 3.27Å; I644-S646 VanDerWaalsContact C-N 3.34Å; I644-S646 PolarHBondContact O-N 3.48Å |
| 647 | A | 93.4 | Very high | 89.1 | Confident | 10 Ų | 10 | 28 Ų | 28 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I623 A643 I644 E645 F649 L679 | I623-A647 HydrophobicContact CD1-CB 3.93Å; A643-A647 WeakPolarHBondContact O-CB 3.32Å; A643-A647 PolarHBondContact O-N 3.39Å; I644-A647 WeakPolarHBondContact O-CB 3.41Å; I644-A647 PolarHBondContact O-N 2.75Å; I644-A647 VanDerWaalsContact O-N 3.11Å; E645-A647 PolarHBondContact O-N 2.9Å; A647-F649 HydrophobicContact CB-CD2 4.13Å; A647-F649 HydrophobicContact CB-CE2 4.43Å; A647-L679 HydrophobicContact CB-CD1 3.82Å; A647-L679 HydrophobicContact CB-CD2 3.93Å |
| 648 | G | 92.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 31.2 Ų | 31.2 | 17% | 0.165 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.2 | 6.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N531 I644 E645 | N531-G648 PolarHBondContact N-O 3.41Å; N531-G648 WeakPolarHBondContact O-CA 3.35Å; I644-G648 PolarHBondContact O-N 3.11Å; E645-G648 PolarHBondContact O-N 2.75Å |
| 649 | F | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.8 | -178.7 | -59.4 | -81.9 | 0 | 0 | 0 | 111.6 | Q529 A530 L532 I644 E645 A647 L651 L679 L682 E683 F686 | Q529-F649 CarbonylContact O-C 3.36Å; Q529-F649 WeakPolarHBondContact O-CA 3.23Å; A530-F649 HydrophobicContact CB-CD1 3.66Å; A530-F649 HydrophobicContact CB-CE1 3.82Å; L532-F649 HydrophobicContact CD2-CE1 3.93Å; L532-F649 HydrophobicContact CD2-CE2 3.98Å; L532-F649 HydrophobicContact CD2-CZ 3.5Å; L532-F649 VanDerWaalsContact CD2-CZ 3.5Å; I644-F649 CarbonylContact C-O 3.59Å; I644-F649 HydrophobicContact CG2-CB 3.59Å; I644-F649 HydrophobicContact CG2-CG 4.47Å; I644-F649 PolarHBondContact O-N 3.34Å; I644-F649 VanDerWaalsContact O-N 3.09Å; E645-F649 WeakPolarHBondContact CA-O 3.3Å; E645-F649 PolarHBondContact N-O 3.18Å; A647-F649 HydrophobicContact CB-CD2 4.13Å; A647-F649 HydrophobicContact CB-CE2 4.43Å; F649-L651 HydrophobicContact CB-CG 4.48Å; F649-L679 HydrophobicContact CD2-CD2 3.96Å; F649-L679 HydrophobicContact CE2-CD2 3.94Å; F649-L682 HydrophobicContact CB-CD2 3.88Å; F649-L682 HydrophobicContact CD1-CD2 3.53Å; F649-L682 HydrophobicContact CD1-CG 3.88Å; F649-L682 HydrophobicContact CD2-CD2 3.88Å; F649-L682 HydrophobicContact CE1-CB 4.42Å; F649-L682 HydrophobicContact CE1-CD2 3.9Å; F649-L682 HydrophobicContact CE1-CG 3.84Å; F649-L682 HydrophobicContact CE2-CD2 4.22Å; F649-L682 HydrophobicContact CG-CD2 3.5Å; F649-L682 VanDerWaalsContact CG-CD2 3.5Å; F649-L682 HydrophobicContact CG-CG 4.34Å; F649-L682 HydrophobicContact CZ-CB 4.41Å; F649-L682 HydrophobicContact CZ-CD2 4.2Å; F649-L682 HydrophobicContact CZ-CG 4.27Å; F649-E683 HydrophobicContact CZ-CB 3.99Å; F649-F686 AromaticContact CD1-CD2 3.91Å; F649-F686 HydrophobicContact CD1-CD2 3.91Å; F649-F686 AromaticContact CD1-CE2 3.77Å; F649-F686 HydrophobicContact CD1-CE2 3.77Å; F649-F686 AromaticContact CE1-CD2 3.76Å; F649-F686 HydrophobicContact CE1-CD2 3.76Å; F649-F686 HydrophobicContact CE1-CE2 4.11Å |
| 650 | K | 90.4 | Very high | 90.3 | Very high | 80 Ų | 80 | 29.6 Ų | 29.6 | 35% | 0.348 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.4 | 165.1 | -68.6 | -175.2 | 177.8 | -176.3 | 0 | 108.3 | D526 Q527 I528 Q529 E645 | D526-K650 HydrophobicContact CB-CB 4.43Å; Q527-K650 WeakPolarHBondContact O-CB 3.42Å; I528-K650 CarbonylContact C-O 3.47Å; I528-K650 WeakPolarHBondContact CA-O 3.48Å; Q529-K650 HydrophobicContact CB-CB 4.38Å; Q529-K650 PolarHBondContact N-O 3.02Å; Q529-K650 PolarHBondContact O-N 2.78Å; E645-K650 HydrophobicContact CG-CG 4.47Å |
| 651 | L | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -131.5 | 155.8 | -175.6 | -52.1 | 176.3 | 0 | 0 | 0 | 109.1 | I528 I644 F649 L655 Y656 I659 L682 F686 | I528-L651 HydrophobicContact CG2-CD2 4.46Å; I644-L651 HydrophobicContact CG2-CD1 3.91Å; I644-L651 HydrophobicContact CG2-CG 4.34Å; F649-L651 HydrophobicContact CB-CG 4.48Å; L651-L655 HydrophobicContact CB-CB 4.03Å; L651-L655 HydrophobicContact CB-CD1 4.23Å; L651-L655 HydrophobicContact CD1-CB 4.39Å; L651-L655 HydrophobicContact CD2-CD1 4.05Å; L651-Y656 HydrophobicContact CB-CD2 4.36Å; L651-Y656 HydrophobicContact CB-CE1 4.33Å; L651-Y656 HydrophobicContact CB-CE2 3.97Å; L651-Y656 HydrophobicContact CD1-CE1 4.2Å; L651-Y656 WeakPolarHBondContact O-CE2 3.36Å; L651-I659 HydrophobicContact CD1-CD1 3.4Å; L651-I659 VanDerWaalsContact CD1-CD1 3.4Å; L651-L682 HydrophobicContact CD1-CD1 4.44Å; L651-L682 HydrophobicContact CD1-CD2 3.87Å; L651-L682 HydrophobicContact CD2-CD1 4.25Å; L651-L682 HydrophobicContact CD2-CD2 4.23Å; L651-F686 HydrophobicContact CD2-CE2 4.1Å; L651-F686 HydrophobicContact CD2-CZ 4.21Å | ||
| 652 | N | 89.2 | Confident | 90.5 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | trans | -78.5 | 166.3 | 172.9 | 70 | 11.6 | 0 | 0 | 0 | 111.5 | D525 K654 L655 Y656 | D525-N652 WeakPolarHBondContact OD1-CA 3.17Å; D525-N652 WeakPolarHBondContact OD2-CA 3.5Å; D525-N652 VanDerWaalsContact OD2-CB 3.31Å; D525-N652 WeakPolarHBondContact OD2-CB 3.14Å; N652-K654 PolarHBondContact O-N 3.46Å; N652-K654 PolarHBondContact OD1-N 3.32Å; N652-L655 PolarHBondContact O-N 2.96Å; N652-L655 VanDerWaalsContact O-N 3.16Å; N652-L655 WeakPolarHBondContact OD1-CB 3.27Å; N652-L655 VanDerWaalsContact OD1-CG 3.29Å; N652-L655 WeakPolarHBondContact OD1-CG 3.46Å; N652-L655 PolarHBondContact OD1-N 3.4Å; N652-Y656 WeakPolarHBondContact O-CD2 3.43Å; N652-Y656 PolarHBondContact O-N 3.03Å; N652-Y656 VanDerWaalsContact O-N 3.14Å | ||
| 653 | K | 86.3 | Confident | 90.7 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.7 | -39.4 | -179.9 | 76.7 | -174.6 | -174.9 | 178.4 | 0 | 112.7 | T380 P395 E523 D525 L655 Y656 E657 | T380-K653 HydrophobicContact CG2-CB 4.26Å; P395-K653 HydrophobicContact CB-CD 4.48Å; P395-K653 HydrophobicContact CG-CD 4.47Å; E523-K653 WeakPolarHBondContact OE1-CD 3.28Å; E523-K653 WeakPolarHBondContact OE1-CE 3.49Å; E523-K653 IonicContact OE1-NZ 2.93Å; E523-K653 PolarHBondContact OE1-NZ 2.96Å; E523-K653 IonicContact OE2-NZ 3.06Å; D525-K653 PolarHBondContact OD1-N 3.01Å; D525-K653 WeakPolarHBondContact OD2-CB 3.26Å; D525-K653 WeakPolarHBondContact OD2-CG 3.43Å; D525-K653 PolarHBondContact OD2-N 3.35Å; K653-L655 VanDerWaalsContact C-N 3.35Å; K653-L655 PolarHBondContact O-N 3.27Å; K653-Y656 PolarHBondContact O-N 2.85Å; K653-E657 WeakPolarHBondContact O-CG 3.37Å; K653-E657 PolarHBondContact O-N 2.81Å |
| 654 | K | 85.2 | Confident | 90.6 | Very high | 86 Ų | 86 | 40.7 Ų | 40.7 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.1 | -38.4 | -175.5 | -169.6 | 171 | -176.1 | 173.4 | 0 | 111.3 | Q17 N652 L658 | Q17-K654 VanDerWaalsContact OE1-CE 3.25Å; Q17-K654 VanDerWaalsContact OE1-NZ 3.1Å; N652-K654 PolarHBondContact O-N 3.46Å; N652-K654 PolarHBondContact OD1-N 3.32Å; K654-L658 WeakPolarHBondContact O-CG 3.33Å; K654-L658 PolarHBondContact O-N 2.67Å; K654-L658 VanDerWaalsContact O-N 3.14Å |
| 655 | L | 90.2 | Very high | 90.3 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 29% | 0.293 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.4 | -39.7 | 173.6 | -72 | 175.2 | 0 | 0 | 0 | 111.5 | I528 L651 N652 K653 E657 L658 I659 | I528-L655 HydrophobicContact CD1-CD1 3.73Å; I528-L655 HydrophobicContact CG1-CD1 3.95Å; I528-L655 HydrophobicContact CG2-CD1 4.4Å; L651-L655 HydrophobicContact CB-CB 4.03Å; L651-L655 HydrophobicContact CB-CD1 4.23Å; L651-L655 HydrophobicContact CD1-CB 4.39Å; L651-L655 HydrophobicContact CD2-CD1 4.05Å; N652-L655 PolarHBondContact O-N 2.96Å; N652-L655 VanDerWaalsContact O-N 3.16Å; N652-L655 WeakPolarHBondContact OD1-CB 3.27Å; N652-L655 VanDerWaalsContact OD1-CG 3.29Å; N652-L655 WeakPolarHBondContact OD1-CG 3.46Å; N652-L655 PolarHBondContact OD1-N 3.4Å; K653-L655 VanDerWaalsContact C-N 3.35Å; K653-L655 PolarHBondContact O-N 3.27Å; L655-E657 PolarHBondContact O-N 2.92Å; L655-L658 HydrophobicContact CD2-CD1 4.48Å; L655-L658 PolarHBondContact O-N 3.35Å; L655-I659 WeakPolarHBondContact O-CB 3.49Å; L655-I659 VanDerWaalsContact O-CG1 3.29Å; L655-I659 WeakPolarHBondContact O-CG1 3.38Å; L655-I659 PolarHBondContact O-N 3.06Å |
| 656 | Y | 89.8 | Confident | 90.1 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 172.9 | -74.4 | -59.3 | 0 | 0 | 0 | 112.2 | R641 I644 L651 N652 K653 L658 I659 I660 | R641-Y656 HydrophobicContact CB-CD1 4.33Å; R641-Y656 HydrophobicContact CB-CE1 4.12Å; R641-Y656 HydrophobicContact CG-CD1 4.27Å; R641-Y656 HydrophobicContact CG-CD2 4.29Å; R641-Y656 HydrophobicContact CG-CE1 3.84Å; R641-Y656 HydrophobicContact CG-CE2 3.82Å; R641-Y656 HydrophobicContact CG-CG 4.5Å; I644-Y656 HydrophobicContact CB-CE1 4.17Å; I644-Y656 HydrophobicContact CD1-CD1 4.19Å; I644-Y656 HydrophobicContact CD1-CE1 3.89Å; I644-Y656 HydrophobicContact CG2-CE1 4.05Å; L651-Y656 HydrophobicContact CB-CD2 4.36Å; L651-Y656 HydrophobicContact CB-CE1 4.33Å; L651-Y656 HydrophobicContact CB-CE2 3.97Å; L651-Y656 HydrophobicContact CD1-CE1 4.2Å; L651-Y656 WeakPolarHBondContact O-CE2 3.36Å; N652-Y656 WeakPolarHBondContact O-CD2 3.43Å; N652-Y656 PolarHBondContact O-N 3.03Å; N652-Y656 VanDerWaalsContact O-N 3.14Å; K653-Y656 PolarHBondContact O-N 2.85Å; Y656-L658 VanDerWaalsContact C-N 3.32Å; Y656-L658 PolarHBondContact O-N 3.41Å; Y656-I659 PolarHBondContact O-N 2.95Å; Y656-I660 WeakPolarHBondContact O-CG1 3.36Å; Y656-I660 PolarHBondContact O-N 3.33Å |
| 657 | E | 87.1 | Confident | 89.9 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 175.9 | -73.6 | -179.4 | 173.6 | 0 | 0 | 111.9 | T374 R376 T380 K653 L655 T661 | T374-E657 PolarHBondContact OG1-OE1 3.01Å; T374-E657 PolarHBondContact OG1-OE2 3.1Å; R376-E657 HydrophobicContact CB-CG 4.19Å; R376-E657 HydrophobicContact CG-CG 4.01Å; R376-E657 WeakPolarHBondContact CG-OE1 3.43Å; T380-E657 HydrophobicContact CG2-CG 4.17Å; T380-E657 WeakPolarHBondContact CG2-OE1 3.27Å; T380-E657 PolarHBondContact OG1-OE1 3.14Å; K653-E657 WeakPolarHBondContact O-CG 3.37Å; K653-E657 PolarHBondContact O-N 2.81Å; L655-E657 PolarHBondContact O-N 2.92Å; E657-T661 WeakPolarHBondContact O-CB 3.29Å; E657-T661 PolarHBondContact O-N 3.34Å; E657-T661 PolarHBondContact O-OG1 3.05Å |
| 658 | L | 89.3 | Confident | 89.5 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 38% | 0.377 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 176.1 | -71.8 | 172.7 | 0 | 0 | 0 | 112.5 | V14 K654 L655 Y656 T661 R662 | V14-L658 HydrophobicContact CG2-CD1 4.25Å; V14-L658 HydrophobicContact CG2-CD2 3.79Å; K654-L658 WeakPolarHBondContact O-CG 3.33Å; K654-L658 PolarHBondContact O-N 2.67Å; K654-L658 VanDerWaalsContact O-N 3.14Å; L655-L658 HydrophobicContact CD2-CD1 4.48Å; L655-L658 PolarHBondContact O-N 3.35Å; Y656-L658 VanDerWaalsContact C-N 3.32Å; Y656-L658 PolarHBondContact O-N 3.41Å; L658-T661 PolarHBondContact O-N 3.32Å; L658-R662 WeakPolarHBondContact O-CB 3.47Å; L658-R662 PolarHBondContact O-N 3.17Å |
| 659 | I | 92.2 | Very high | 89.4 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -50 | 177.2 | -75.4 | 169.8 | 0 | 0 | 0 | 110.1 | M640 I644 L651 L655 Y656 T661 R662 Y663 | M640-I659 HydrophobicContact CE-CG2 3.87Å; M640-I659 HydrophobicContact CG-CG2 4.47Å; I644-I659 HydrophobicContact CD1-CD1 4Å; I644-I659 HydrophobicContact CD1-CG2 4.07Å; L651-I659 HydrophobicContact CD1-CD1 3.4Å; L651-I659 VanDerWaalsContact CD1-CD1 3.4Å; L655-I659 WeakPolarHBondContact O-CB 3.49Å; L655-I659 VanDerWaalsContact O-CG1 3.29Å; L655-I659 WeakPolarHBondContact O-CG1 3.38Å; L655-I659 PolarHBondContact O-N 3.06Å; Y656-I659 PolarHBondContact O-N 2.95Å; I659-T661 PolarHBondContact O-N 3.05Å; I659-R662 PolarHBondContact O-N 3.13Å; I659-Y663 HydrophobicContact CG2-CD2 4.13Å; I659-Y663 WeakPolarHBondContact O-CB 3.35Å; I659-Y663 WeakPolarHBondContact O-CD2 3.19Å; I659-Y663 PolarHBondContact O-N 3.48Å |
| 660 | I | 90.9 | Very high | 89.3 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 179 | -62.9 | -51.3 | 0 | 0 | 0 | 110.6 | A637 M640 Y656 R662 S664 L668 | A637-I660 HydrophobicContact CB-CB 4.44Å; A637-I660 HydrophobicContact CB-CD1 3.41Å; A637-I660 VanDerWaalsContact CB-CD1 3.41Å; A637-I660 HydrophobicContact CB-CG1 3.77Å; A637-I660 HydrophobicContact CB-CG2 3.78Å; M640-I660 HydrophobicContact CB-CD1 4.03Å; M640-I660 HydrophobicContact CG-CD1 3.88Å; Y656-I660 WeakPolarHBondContact O-CG1 3.36Å; Y656-I660 PolarHBondContact O-N 3.33Å; I660-R662 PolarHBondContact O-N 3.38Å; I660-S664 VanDerWaalsContact O-CB 3.23Å; I660-S664 WeakPolarHBondContact O-CB 3.44Å; I660-S664 PolarHBondContact O-N 2.72Å; I660-S664 PolarHBondContact O-OG 3.47Å; I660-L668 HydrophobicContact CG2-CD2 4.4Å |
| 661 | T | 88.8 | Confident | 89.5 | Confident | 115 Ų | 115 | 47.3 Ų | 47.3 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -59.6 | -34.3 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | E657 L658 I659 | E657-T661 WeakPolarHBondContact O-CB 3.29Å; E657-T661 PolarHBondContact O-N 3.34Å; E657-T661 PolarHBondContact O-OG1 3.05Å; L658-T661 PolarHBondContact O-N 3.32Å; I659-T661 PolarHBondContact O-N 3.05Å |
| 662 | R | 91.1 | Very high | 89.6 | Confident | 156 Ų | 156 | 47.4 Ų | 47.4 | 59% | 0.589 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -87.3 | -40.1 | -176.7 | -178.7 | 172.1 | 178.3 | 87.1 | -1 | 113.8 | L658 I659 I660 | L658-R662 WeakPolarHBondContact O-CB 3.47Å; L658-R662 PolarHBondContact O-N 3.17Å; I659-R662 PolarHBondContact O-N 3.13Å; I660-R662 PolarHBondContact O-N 3.38Å |
| 663 | Y | 92.6 | Very high | 89.8 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 7% | 0.071 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -110.9 | -8.1 | -165.7 | -65.5 | -73.3 | 0 | 0 | 0 | 114.2 | I659 N674 C677 C678 R681 | I659-Y663 HydrophobicContact CG2-CD2 4.13Å; I659-Y663 WeakPolarHBondContact O-CB 3.35Å; I659-Y663 WeakPolarHBondContact O-CD2 3.19Å; I659-Y663 PolarHBondContact O-N 3.48Å; Y663-N674 HydrophobicContact CD1-CB 4.44Å; Y663-N674 VanDerWaalsContact O-CB 3.27Å; Y663-N674 WeakPolarHBondContact O-CB 3.21Å; Y663-C677 HydrophobicContact CE1-CB 4.29Å; Y663-C678 HydrophobicContact CD1-CB 4.06Å; Y663-C678 HydrophobicContact CD2-CB 3.7Å; Y663-C678 HydrophobicContact CE1-CB 4.08Å; Y663-C678 HydrophobicContact CE2-CB 3.71Å; Y663-C678 HydrophobicContact CG-CB 3.88Å; Y663-R681 WeakPolarHBondContact OH-CD 3.41Å |
| 664 | S | 90.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -85.2 | 145 | 173.1 | 70.7 | 0 | 0 | 0 | 0 | 111.8 | I660 | I660-S664 VanDerWaalsContact O-CB 3.23Å; I660-S664 WeakPolarHBondContact O-CB 3.44Å; I660-S664 PolarHBondContact O-N 2.72Å; I660-S664 PolarHBondContact O-OG 3.47Å |
| 665 | E | 89 | Confident | 90.7 | Very high | 71 Ų | 71 | 42.2 Ų | 42.2 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | trans | -70.8 | 168 | 169.9 | -68.6 | -68.9 | 154.8 | 0 | 0 | 110.6 | D667 L668 A669 | E665-D667 VanDerWaalsContact CB-OD1 3.31Å; E665-D667 WeakPolarHBondContact CB-OD1 3.4Å; E665-D667 PolarHBondContact O-N 2.71Å; E665-L668 WeakPolarHBondContact O-CA 3.33Å; E665-L668 PolarHBondContact O-N 2.91Å; E665-A669 WeakPolarHBondContact CB-O 3.49Å; E665-A669 PolarHBondContact N-O 2.61Å | ||
| 666 | P | 85.7 | Confident | 90.9 | Very high | 127 Ų | 127 | 39.6 Ų | 39.6 | 83% | 0.825 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.1 | -179 | -27.6 | 36.1 | 0 | 0 | 0 | 115.4 | L668 | P666-L668 VanDerWaalsContact C-N 3.3Š|
| 667 | D | 87.3 | Confident | 91.1 | Very high | 81 Ų | 81 | 39.7 Ų | 39.7 | 43% | 0.433 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 5.8 | 173.7 | 65.9 | -12.1 | 0 | 0 | 0 | 113.5 | R581 E665 A669 | R581-D667 IonicContact CZ-OD2 3Å; R581-D667 VanDerWaalsContact CZ-OD2 3.28Å; R581-D667 IonicContact NH1-OD2 2.78Å; R581-D667 PolarHBondContact NH1-OD2 2.96Å; R581-D667 IonicContact NH2-OD2 3.1Å; R581-D667 PolarHBondContact NH2-OD2 3.48Å; E665-D667 VanDerWaalsContact CB-OD1 3.31Å; E665-D667 WeakPolarHBondContact CB-OD1 3.4Å; E665-D667 PolarHBondContact O-N 2.71Å; D667-A669 PolarHBondContact O-N 3.38Å; D667-A669 WeakPolarHBondContact OD1-CB 3.35Å; D667-A669 PolarHBondContact OD1-N 3.4Å |
| 668 | L | 86.5 | Confident | 91.5 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 67 | 13.3 | -176.3 | -57 | 167.8 | 0 | 0 | 0 | 115 | R377 I660 E665 P666 | R377-L668 HydrophobicContact CB-CD1 4.2Å; R377-L668 HydrophobicContact CG-CD1 3.54Å; I660-L668 HydrophobicContact CG2-CD2 4.4Å; E665-L668 WeakPolarHBondContact O-CA 3.33Å; E665-L668 PolarHBondContact O-N 2.91Å; P666-L668 VanDerWaalsContact C-N 3.3Å |
| 669 | A | 89.3 | Confident | 91.8 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 139.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | E665 D667 | E665-A669 WeakPolarHBondContact CB-O 3.49Å; E665-A669 PolarHBondContact N-O 2.61Å; D667-A669 PolarHBondContact O-N 3.38Å; D667-A669 WeakPolarHBondContact OD1-CB 3.35Å; D667-A669 PolarHBondContact OD1-N 3.4Å |
| 670 | V | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 116.4 | 171.5 | -177.7 | 0 | 0 | 0 | 0 | 107.4 | M635 M640 N674 F675 | M635-V670 PolarHBondContact N-O 3.05Å; M635-V670 PolarHBondContact O-N 3.43Å; M640-V670 HydrophobicContact CE-CG1 4.17Å; M640-V670 HydrophobicContact CG-CG2 4.47Å; M640-V670 HydrophobicContact SD-CG1 4.25Å; V670-N674 HydrophobicContact CG1-CB 4.07Å; V670-F675 HydrophobicContact CG1-CB 4.18Å |
| 671 | D | 93.1 | Very high | 91.9 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | trans | -81 | 172 | 175.7 | 83.1 | -21.8 | 0 | 0 | 0 | 112.4 | R581 T582 D673 N674 F675 | R581-D671 VanDerWaalsContact O-CB 3.23Å; R581-D671 WeakPolarHBondContact O-CB 3.48Å; T582-D671 PolarHBondContact OG1-OD2 2.96Å; T582-D671 VanDerWaalsContact OG1-OD2 3.06Å; D671-D673 VanDerWaalsContact C-N 3.3Å; D671-D673 PolarHBondContact O-N 3.26Å; D671-D673 PolarHBondContact OD1-N 3.33Å; D671-N674 PolarHBondContact O-N 3.07Å; D671-N674 VanDerWaalsContact OD1-CB 3.28Å; D671-N674 WeakPolarHBondContact OD1-CB 3.45Å; D671-N674 PolarHBondContact OD1-N 2.86Å; D671-N674 PolarHBondContact OD1-ND2 2.78Å; D671-F675 WeakPolarHBondContact O-CB 3.42Å; D671-F675 PolarHBondContact O-N 2.99Å | ||
| 672 | F | 94.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -34 | -176.5 | -173.4 | -114.6 | 0 | 0 | 0 | 113.1 | I574 L580 F585 I617 L621 F624 F675 V676 | I574-F672 HydrophobicContact CD1-CD1 3.71Å; I574-F672 HydrophobicContact CD1-CE1 3.98Å; I574-F672 HydrophobicContact CG1-CD1 4.41Å; I574-F672 HydrophobicContact CG1-CE1 4.48Å; L580-F672 HydrophobicContact CD1-CB 4.33Å; L580-F672 HydrophobicContact CD1-CD1 4.08Å; L580-F672 HydrophobicContact CD1-CG 4.18Å; L580-F672 HydrophobicContact CD2-CB 4.45Å; F585-F672 HydrophobicContact CE2-CE1 4.43Å; F585-F672 HydrophobicContact CZ-CD1 4.16Å; F585-F672 AromaticContact CZ-CE1 3.81Å; F585-F672 HydrophobicContact CZ-CE1 3.81Å; I617-F672 HydrophobicContact CG2-CE1 4.48Å; I617-F672 HydrophobicContact CG2-CZ 4.4Å; L621-F672 HydrophobicContact CB-CE2 3.99Å; L621-F672 HydrophobicContact CB-CZ 3.72Å; L621-F672 HydrophobicContact CD1-CD2 4.3Å; L621-F672 HydrophobicContact CD1-CE1 4.31Å; L621-F672 HydrophobicContact CD1-CE2 3.91Å; L621-F672 HydrophobicContact CD1-CZ 3.91Å; L621-F672 HydrophobicContact CG-CZ 4.38Å; F624-F672 HydrophobicContact CB-CD2 3.9Å; F624-F672 HydrophobicContact CB-CE2 4.04Å; F624-F672 HydrophobicContact CD1-CD2 4.24Å; F624-F672 HydrophobicContact CD2-CB 4.45Å; F624-F672 AromaticContact CD2-CD2 3.69Å; F624-F672 HydrophobicContact CD2-CD2 3.69Å; F624-F672 HydrophobicContact CE2-CB 4.13Å; F624-F672 HydrophobicContact CE2-CD2 4.22Å; F624-F672 AromaticContact CG-CD2 3.68Å; F624-F672 HydrophobicContact CG-CD2 3.68Å; F624-F672 HydrophobicContact CG-CE2 4.34Å; F624-F672 HydrophobicContact CZ-CB 4.15Å; F672-F675 HydrophobicContact CD2-CD1 4.29Å; F672-F675 HydrophobicContact CE2-CD1 4.32Å; F672-V676 HydrophobicContact CD1-CG2 4.43Å; F672-V676 HydrophobicContact CD2-CG2 4.18Å; F672-V676 HydrophobicContact CE1-CG2 3.98Å; F672-V676 HydrophobicContact CE2-CG2 3.68Å; F672-V676 HydrophobicContact CZ-CG2 3.57Å; F672-V676 WeakPolarHBondContact O-CG2 3.31Å; F672-V676 PolarHBondContact O-N 2.97Å; F672-V676 VanDerWaalsContact O-N 3.1Å |
| 673 | D | 94.7 | Very high | 92.2 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 6% | 0.064 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -55.3 | 176.3 | -179.6 | 22.2 | 0 | 0 | 0 | 110.7 | F585 S586 S589 D671 F675 V676 C677 | F585-D673 HydrophobicContact CD1-CB 4.31Å; F585-D673 WeakPolarHBondContact CD1-OD1 3.4Å; S586-D673 WeakPolarHBondContact CB-OD2 3.44Å; S586-D673 PolarHBondContact N-OD2 3.5Å; S589-D673 WeakPolarHBondContact CB-OD1 3.38Å; S589-D673 PolarHBondContact OG-OD1 2.98Å; D671-D673 VanDerWaalsContact C-N 3.3Å; D671-D673 PolarHBondContact O-N 3.26Å; D671-D673 PolarHBondContact OD1-N 3.33Å; D673-F675 VanDerWaalsContact C-N 3.3Å; D673-F675 PolarHBondContact O-N 2.98Å; D673-V676 PolarHBondContact O-N 3.3Å; D673-C677 WeakPolarHBondContact O-CB 3.31Å; D673-C677 PolarHBondContact O-N 3.23Å |
| 674 | N | 94.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 24 Ų | 24 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 179.6 | -76.4 | -57.8 | 0 | 0 | 0 | 112.4 | Y663 V670 D671 C678 | Y663-N674 HydrophobicContact CD1-CB 4.44Å; Y663-N674 VanDerWaalsContact O-CB 3.27Å; Y663-N674 WeakPolarHBondContact O-CB 3.21Å; V670-N674 HydrophobicContact CG1-CB 4.07Å; D671-N674 PolarHBondContact O-N 3.07Å; D671-N674 VanDerWaalsContact OD1-CB 3.28Å; D671-N674 WeakPolarHBondContact OD1-CB 3.45Å; D671-N674 PolarHBondContact OD1-N 2.86Å; D671-N674 PolarHBondContact OD1-ND2 2.78Å; N674-C678 VanDerWaalsContact O-CB 3.26Å; N674-C678 WeakPolarHBondContact O-CB 3.24Å; N674-C678 PolarHBondContact O-N 3.19Å |
| 675 | F | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.4 | -52.1 | 175.1 | 174.4 | -119.8 | 0 | 0 | 0 | 112.1 | I623 F624 M635 M640 A643 V670 D671 F672 D673 C678 L679 | I623-F675 HydrophobicContact CG2-CZ 3.97Å; F624-F675 HydrophobicContact CB-CD1 4.17Å; F624-F675 HydrophobicContact CB-CE1 4.07Å; F624-F675 HydrophobicContact CD2-CB 4.03Å; F624-F675 AromaticContact CD2-CD1 3.66Å; F624-F675 HydrophobicContact CD2-CD1 3.66Å; F624-F675 HydrophobicContact CD2-CE1 4.27Å; F624-F675 AromaticContact CD2-CG 3.92Å; F624-F675 HydrophobicContact CD2-CG 3.92Å; F624-F675 HydrophobicContact CE2-CB 4.15Å; F624-F675 HydrophobicContact CG-CD1 4.41Å; M635-F675 HydrophobicContact CE-CB 3.96Å; M635-F675 HydrophobicContact CE-CD1 4.07Å; M635-F675 HydrophobicContact CE-CD2 3.17Å; M635-F675 HydrophobicContact CE-CE1 4.31Å; M635-F675 HydrophobicContact CE-CE2 3.47Å; M635-F675 VanDerWaalsContact CE-CE2 3.47Å; M635-F675 HydrophobicContact CE-CG 3.46Å; M635-F675 VanDerWaalsContact CE-CG 3.46Å; M635-F675 HydrophobicContact CE-CZ 4.02Å; M640-F675 HydrophobicContact CE-CD2 3.8Å; M640-F675 HydrophobicContact CE-CE2 4.49Å; M640-F675 HydrophobicContact SD-CD2 3.49Å; M640-F675 WeakPolarHBondContact SD-CD2 3.45Å; M640-F675 HydrophobicContact SD-CE2 3.93Å; A643-F675 HydrophobicContact CB-CE2 3.84Å; A643-F675 HydrophobicContact CB-CZ 4.05Å; V670-F675 HydrophobicContact CG1-CB 4.18Å; D671-F675 WeakPolarHBondContact O-CB 3.42Å; D671-F675 PolarHBondContact O-N 2.99Å; F672-F675 HydrophobicContact CD2-CD1 4.29Å; F672-F675 HydrophobicContact CE2-CD1 4.32Å; D673-F675 VanDerWaalsContact C-N 3.3Å; D673-F675 PolarHBondContact O-N 2.98Å; F675-C678 WeakPolarHBondContact O-CB 3.48Å; F675-C678 PolarHBondContact O-N 3.01Å; F675-L679 HydrophobicContact CD1-CD1 4.4Å; F675-L679 HydrophobicContact CD2-CD1 4.34Å; F675-L679 HydrophobicContact CD2-CG 4.34Å; F675-L679 HydrophobicContact CE1-CD1 3.75Å; F675-L679 HydrophobicContact CE2-CD1 3.7Å; F675-L679 HydrophobicContact CE2-CD2 4.34Å; F675-L679 HydrophobicContact CE2-CG 3.98Å; F675-L679 HydrophobicContact CZ-CD1 3.38Å; F675-L679 HydrophobicContact CZ-CG 4.19Å; F675-L679 PolarHBondContact O-N 3.11Å |
| 676 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.7 | -43 | -179.3 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | F585 M593 Y620 F672 D673 C678 L679 V680 | F585-V676 HydrophobicContact CE1-CB 3.88Å; F585-V676 HydrophobicContact CE1-CG1 4.01Å; F585-V676 HydrophobicContact CE1-CG2 4.19Å; F585-V676 HydrophobicContact CZ-CB 4.4Å; F585-V676 HydrophobicContact CZ-CG1 4.39Å; F585-V676 HydrophobicContact CZ-CG2 4.27Å; M593-V676 HydrophobicContact CE-CB 4.34Å; M593-V676 HydrophobicContact CE-CG1 3.44Å; M593-V676 VanDerWaalsContact CE-CG1 3.44Å; Y620-V676 HydrophobicContact CD2-CG1 4.02Å; Y620-V676 HydrophobicContact CD2-CG2 4.24Å; Y620-V676 HydrophobicContact CE2-CG1 4.48Å; F672-V676 HydrophobicContact CD1-CG2 4.43Å; F672-V676 HydrophobicContact CD2-CG2 4.18Å; F672-V676 HydrophobicContact CE1-CG2 3.98Å; F672-V676 HydrophobicContact CE2-CG2 3.68Å; F672-V676 HydrophobicContact CZ-CG2 3.57Å; F672-V676 WeakPolarHBondContact O-CG2 3.31Å; F672-V676 PolarHBondContact O-N 2.97Å; F672-V676 VanDerWaalsContact O-N 3.1Å; D673-V676 PolarHBondContact O-N 3.3Å; V676-C678 VanDerWaalsContact C-N 3.26Å; V676-C678 PolarHBondContact O-N 3.45Å; V676-L679 PolarHBondContact O-N 2.9Å; V676-V680 HydrophobicContact CG1-CG2 3.98Å; V676-V680 WeakPolarHBondContact O-CB 3.1Å; V676-V680 WeakPolarHBondContact O-CG2 3.34Å; V676-V680 PolarHBondContact O-N 3.44Å |
| 677 | C | 94.7 | Very high | 92.4 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.7 | -42.3 | 176 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | Y663 D673 R681 | Y663-C677 HydrophobicContact CE1-CB 4.29Å; D673-C677 WeakPolarHBondContact O-CB 3.31Å; D673-C677 PolarHBondContact O-N 3.23Å; C677-R681 VanDerWaalsContact O-CB 3.31Å; C677-R681 WeakPolarHBondContact O-CB 3.36Å; C677-R681 PolarHBondContact O-N 2.82Å |
| 678 | C | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.02 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.2 | -51.8 | 176.2 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | M640 Y663 N674 F675 V676 R681 L682 | M640-C678 HydrophobicContact CE-CB 3.92Å; Y663-C678 HydrophobicContact CD1-CB 4.06Å; Y663-C678 HydrophobicContact CD2-CB 3.7Å; Y663-C678 HydrophobicContact CE1-CB 4.08Å; Y663-C678 HydrophobicContact CE2-CB 3.71Å; Y663-C678 HydrophobicContact CG-CB 3.88Å; N674-C678 VanDerWaalsContact O-CB 3.26Å; N674-C678 WeakPolarHBondContact O-CB 3.24Å; N674-C678 PolarHBondContact O-N 3.19Å; F675-C678 WeakPolarHBondContact O-CB 3.48Å; F675-C678 PolarHBondContact O-N 3.01Å; V676-C678 VanDerWaalsContact C-N 3.26Å; V676-C678 PolarHBondContact O-N 3.45Å; C678-R681 PolarHBondContact O-N 2.94Å; C678-L682 VanDerWaalsContact O-CB 3.27Å; C678-L682 WeakPolarHBondContact O-CB 3.4Å; C678-L682 PolarHBondContact O-N 3.07Å |
| 679 | L | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | -178.2 | -69.4 | -174.5 | 0 | 0 | 0 | 112.4 | Y620 I644 A647 F649 F675 V676 L682 E683 | Y620-L679 HydrophobicContact CD1-CD1 3.48Å; Y620-L679 VanDerWaalsContact CD1-CD1 3.48Å; Y620-L679 HydrophobicContact CD2-CD1 4.44Å; Y620-L679 HydrophobicContact CE1-CB 4.34Å; Y620-L679 HydrophobicContact CE1-CD1 3.68Å; Y620-L679 HydrophobicContact CE2-CB 4.35Å; Y620-L679 HydrophobicContact CG-CD1 3.91Å; I644-L679 HydrophobicContact CG1-CD2 4.1Å; A647-L679 HydrophobicContact CB-CD1 3.82Å; A647-L679 HydrophobicContact CB-CD2 3.93Å; F649-L679 HydrophobicContact CD2-CD2 3.96Å; F649-L679 HydrophobicContact CE2-CD2 3.94Å; F675-L679 HydrophobicContact CD1-CD1 4.4Å; F675-L679 HydrophobicContact CD2-CD1 4.34Å; F675-L679 HydrophobicContact CD2-CG 4.34Å; F675-L679 HydrophobicContact CE1-CD1 3.75Å; F675-L679 HydrophobicContact CE2-CD1 3.7Å; F675-L679 HydrophobicContact CE2-CD2 4.34Å; F675-L679 HydrophobicContact CE2-CG 3.98Å; F675-L679 HydrophobicContact CZ-CD1 3.38Å; F675-L679 HydrophobicContact CZ-CG 4.19Å; F675-L679 PolarHBondContact O-N 3.11Å; V676-L679 PolarHBondContact O-N 2.9Å; L679-L682 PolarHBondContact O-N 2.79Å; L679-E683 WeakPolarHBondContact O-CB 3.49Å; L679-E683 PolarHBondContact O-N 2.96Å |
| 680 | V | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.4 | -50.7 | 176.9 | 167 | 0 | 0 | 0 | 0 | 110.1 | S592 M593 L596 Y620 V676 L682 E683 T684 | S592-V680 VanDerWaalsContact C-CG1 3.46Å; S592-V680 VanDerWaalsContact O-CG1 3.26Å; S592-V680 WeakPolarHBondContact O-CG1 3.3Å; M593-V680 HydrophobicContact CG-CG1 4.27Å; M593-V680 HydrophobicContact CG-CG2 4Å; L596-V680 HydrophobicContact CB-CG1 3.98Å; L596-V680 HydrophobicContact CD2-CB 4.32Å; L596-V680 HydrophobicContact CD2-CG1 3.86Å; L596-V680 HydrophobicContact CD2-CG2 4.37Å; Y620-V680 HydrophobicContact CE2-CG2 4.26Å; V676-V680 HydrophobicContact CG1-CG2 3.98Å; V676-V680 WeakPolarHBondContact O-CB 3.1Å; V676-V680 WeakPolarHBondContact O-CG2 3.34Å; V676-V680 PolarHBondContact O-N 3.44Å; V680-L682 VanDerWaalsContact C-N 3.34Å; V680-L682 PolarHBondContact O-N 3.24Å; V680-E683 PolarHBondContact O-N 3.27Å; V680-T684 PolarHBondContact O-N 3.03Å; V680-T684 PolarHBondContact O-OG1 2.84Å |
| 681 | R | 92.6 | Very high | 92.3 | Very high | 43 Ų | 43 | 35.8 Ų | 35.8 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | -179.4 | -163.9 | -178.9 | -176 | 88.2 | 7.5 | 112.1 | Y663 C677 C678 T684 M685 A714 | Y663-R681 WeakPolarHBondContact OH-CD 3.41Å; C677-R681 VanDerWaalsContact O-CB 3.31Å; C677-R681 WeakPolarHBondContact O-CB 3.36Å; C677-R681 PolarHBondContact O-N 2.82Å; C678-R681 PolarHBondContact O-N 2.94Å; R681-T684 PolarHBondContact O-N 2.79Å; R681-M685 WeakPolarHBondContact O-CG 3.47Å; R681-M685 PolarHBondContact O-N 3.19Å; R681-A714 VanDerWaalsContact CZ-C 3.47Å; R681-A714 PolarHBondContact NH1-O 3.42Å; R681-A714 PolarHBondContact NH1-OXT 2.9Å; R681-A714 PolarHBondContact NH2-O 3Å |
| 682 | L | 93.4 | Very high | 92.1 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.5 | -171.7 | 65.4 | 0 | 0 | 0 | 110.7 | I644 F649 L651 C678 L679 V680 M685 F686 | I644-L682 HydrophobicContact CG2-CD2 4.48Å; F649-L682 HydrophobicContact CB-CD2 3.88Å; F649-L682 HydrophobicContact CD1-CD2 3.53Å; F649-L682 HydrophobicContact CD1-CG 3.88Å; F649-L682 HydrophobicContact CD2-CD2 3.88Å; F649-L682 HydrophobicContact CE1-CB 4.42Å; F649-L682 HydrophobicContact CE1-CD2 3.9Å; F649-L682 HydrophobicContact CE1-CG 3.84Å; F649-L682 HydrophobicContact CE2-CD2 4.22Å; F649-L682 HydrophobicContact CG-CD2 3.5Å; F649-L682 VanDerWaalsContact CG-CD2 3.5Å; F649-L682 HydrophobicContact CG-CG 4.34Å; F649-L682 HydrophobicContact CZ-CB 4.41Å; F649-L682 HydrophobicContact CZ-CD2 4.2Å; F649-L682 HydrophobicContact CZ-CG 4.27Å; L651-L682 HydrophobicContact CD1-CD1 4.44Å; L651-L682 HydrophobicContact CD1-CD2 3.87Å; L651-L682 HydrophobicContact CD2-CD1 4.25Å; L651-L682 HydrophobicContact CD2-CD2 4.23Å; C678-L682 VanDerWaalsContact O-CB 3.27Å; C678-L682 WeakPolarHBondContact O-CB 3.4Å; C678-L682 PolarHBondContact O-N 3.07Å; L679-L682 PolarHBondContact O-N 2.79Å; V680-L682 VanDerWaalsContact C-N 3.34Å; V680-L682 PolarHBondContact O-N 3.24Å; L682-M685 PolarHBondContact O-N 3.18Å; L682-F686 HydrophobicContact CD1-CD2 4.19Å; L682-F686 HydrophobicContact CD1-CE2 3.88Å; L682-F686 HydrophobicContact CG-CD2 4.04Å; L682-F686 HydrophobicContact CG-CE2 3.96Å; L682-F686 WeakPolarHBondContact O-CD2 3.46Å; L682-F686 PolarHBondContact O-N 3.42Å |
| 683 | E | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -47.5 | 175.4 | -176.3 | 159.9 | 171.1 | 0 | 0 | 112.5 | L532 L596 R616 Y620 F649 L679 V680 M685 F686 R687 | L532-E683 HydrophobicContact CD1-CG 3.65Å; L532-E683 HydrophobicContact CD2-CG 4.42Å; L596-E683 HydrophobicContact CD1-CB 4.23Å; L596-E683 HydrophobicContact CD1-CG 3.88Å; L596-E683 HydrophobicContact CD2-CB 4.31Å; L596-E683 HydrophobicContact CD2-CG 4.36Å; R616-E683 IonicContact CZ-OE1 3.55Å; R616-E683 VanDerWaalsContact CZ-OE1 3.22Å; R616-E683 IonicContact CZ-OE2 3.5Å; R616-E683 IonicContact NH1-OE1 2.88Å; R616-E683 PolarHBondContact NH1-OE1 2.74Å; R616-E683 IonicContact NH1-OE2 3.25Å; R616-E683 PolarHBondContact NH1-OE2 3.13Å; R616-E683 IonicContact NH2-OE1 2.87Å; R616-E683 PolarHBondContact NH2-OE1 2.74Å; R616-E683 IonicContact NH2-OE2 3.91Å; Y620-E683 PolarHBondContact OH-OE2 3.36Å; F649-E683 HydrophobicContact CZ-CB 3.99Å; L679-E683 WeakPolarHBondContact O-CB 3.49Å; L679-E683 PolarHBondContact O-N 2.96Å; V680-E683 PolarHBondContact O-N 3.27Å; E683-M685 VanDerWaalsContact C-N 3.27Å; E683-M685 PolarHBondContact O-N 3.19Å; E683-F686 PolarHBondContact O-N 3.11Å; E683-F686 VanDerWaalsContact O-N 3.17Å; E683-R687 HydrophobicContact CG-CG 4.25Å; E683-R687 WeakPolarHBondContact O-CG 3.34Å; E683-R687 PolarHBondContact O-N 2.93Å; E683-R687 IonicContact OE1-CZ 2.61Å; E683-R687 IonicContact OE1-NE 2.78Å; E683-R687 PolarHBondContact OE1-NE 2.97Å; E683-R687 IonicContact OE1-NH2 2.72Å; E683-R687 PolarHBondContact OE1-NH2 2.92Å |
| 684 | T | 89.7 | Confident | 91.8 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.5 | -47.7 | 177.1 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | L596 V680 R681 R687 F688 | L596-T684 WeakPolarHBondContact CB-OG1 3.43Å; L596-T684 VanDerWaalsContact CD1-OG1 3.29Å; L596-T684 WeakPolarHBondContact CD1-OG1 3.35Å; V680-T684 PolarHBondContact O-N 3.03Å; V680-T684 PolarHBondContact O-OG1 2.84Å; R681-T684 PolarHBondContact O-N 2.79Å; T684-R687 PolarHBondContact O-N 3.01Å; T684-F688 HydrophobicContact CG2-CD2 3.56Å; T684-F688 HydrophobicContact CG2-CE2 3.28Å; T684-F688 HydrophobicContact CG2-CZ 4.41Å; T684-F688 WeakPolarHBondContact O-CD2 3.31Å; T684-F688 PolarHBondContact O-N 3.49Å |
| 685 | M | 90.7 | Very high | 91.7 | Very high | 97 Ų | 97 | 48 Ų | 48 | 48% | 0.478 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.6 | -71 | -172 | 129.8 | 0 | 0 | 113.1 | R681 L682 E683 F689 | R681-M685 WeakPolarHBondContact O-CG 3.47Å; R681-M685 PolarHBondContact O-N 3.19Å; L682-M685 PolarHBondContact O-N 3.18Å; E683-M685 VanDerWaalsContact C-N 3.27Å; E683-M685 PolarHBondContact O-N 3.19Å; M685-F689 WeakPolarHBondContact O-CB 3.26Å; M685-F689 PolarHBondContact O-N 3.22Å |
| 686 | F | 91.6 | Very high | 91.4 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 13% | 0.127 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.3 | -90.8 | -77.9 | 0 | 0 | 0 | 112.6 | I528 A530 F649 L651 L682 E683 F689 K690 | I528-F686 HydrophobicContact CG2-CE1 3.93Å; I528-F686 HydrophobicContact CG2-CZ 3.54Å; A530-F686 HydrophobicContact CB-CB 4.15Å; A530-F686 HydrophobicContact CB-CD1 3.5Å; A530-F686 HydrophobicContact CB-CD2 3.75Å; A530-F686 HydrophobicContact CB-CE1 3.66Å; A530-F686 HydrophobicContact CB-CE2 3.91Å; A530-F686 HydrophobicContact CB-CG 3.53Å; A530-F686 HydrophobicContact CB-CZ 3.85Å; F649-F686 AromaticContact CD1-CD2 3.91Å; F649-F686 HydrophobicContact CD1-CD2 3.91Å; F649-F686 AromaticContact CD1-CE2 3.77Å; F649-F686 HydrophobicContact CD1-CE2 3.77Å; F649-F686 AromaticContact CE1-CD2 3.76Å; F649-F686 HydrophobicContact CE1-CD2 3.76Å; F649-F686 HydrophobicContact CE1-CE2 4.11Å; L651-F686 HydrophobicContact CD2-CE2 4.1Å; L651-F686 HydrophobicContact CD2-CZ 4.21Å; L682-F686 HydrophobicContact CD1-CD2 4.19Å; L682-F686 HydrophobicContact CD1-CE2 3.88Å; L682-F686 HydrophobicContact CG-CD2 4.04Å; L682-F686 HydrophobicContact CG-CE2 3.96Å; L682-F686 WeakPolarHBondContact O-CD2 3.46Å; L682-F686 PolarHBondContact O-N 3.42Å; E683-F686 PolarHBondContact O-N 3.11Å; E683-F686 VanDerWaalsContact O-N 3.17Å; F686-F689 PolarHBondContact O-N 3.29Å; F686-K690 WeakPolarHBondContact O-CB 3.24Å; F686-K690 WeakPolarHBondContact O-CG 3.44Å; F686-K690 PolarHBondContact O-N 3.46Å |
| 687 | R | 88.6 | Confident | 91.3 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 30% | 0.302 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 176.8 | -74.4 | -175.7 | 177.5 | -121.5 | -3.7 | 110.4 | E535 E683 T684 F689 K690 T691 | E535-R687 IonicContact OE1-NH2 2.87Å; E535-R687 PolarHBondContact OE1-NH2 3.48Å; E535-R687 IonicContact OE2-CZ 3.37Å; E535-R687 IonicContact OE2-NH1 3.32Å; E535-R687 PolarHBondContact OE2-NH1 3.21Å; E535-R687 IonicContact OE2-NH2 2.74Å; E535-R687 PolarHBondContact OE2-NH2 2.95Å; E683-R687 HydrophobicContact CG-CG 4.25Å; E683-R687 WeakPolarHBondContact O-CG 3.34Å; E683-R687 PolarHBondContact O-N 2.93Å; E683-R687 IonicContact OE1-CZ 2.61Å; E683-R687 IonicContact OE1-NE 2.78Å; E683-R687 PolarHBondContact OE1-NE 2.97Å; E683-R687 IonicContact OE1-NH2 2.72Å; E683-R687 PolarHBondContact OE1-NH2 2.92Å; T684-R687 PolarHBondContact O-N 3.01Å; R687-F689 PolarHBondContact O-N 3.46Å; R687-K690 PolarHBondContact O-N 2.82Å; R687-T691 PolarHBondContact O-N 3.4Å; R687-T691 PolarHBondContact O-OG1 2.99Å |
| 688 | F | 86.5 | Confident | 91.1 | Very high | 90 Ų | 90 | 61.6 Ų | 61.6 | 40% | 0.395 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 177.1 | -80.5 | -55.4 | 0 | 0 | 0 | 112.7 | T684 K690 T691 L692 L710 | T684-F688 HydrophobicContact CG2-CD2 3.56Å; T684-F688 HydrophobicContact CG2-CE2 3.28Å; T684-F688 HydrophobicContact CG2-CZ 4.41Å; T684-F688 WeakPolarHBondContact O-CD2 3.31Å; T684-F688 PolarHBondContact O-N 3.49Å; F688-K690 PolarHBondContact O-N 3.4Å; F688-T691 PolarHBondContact O-N 2.88Å; F688-L692 VanDerWaalsContact O-CD1 3.28Å; F688-L692 WeakPolarHBondContact O-CD1 3.2Å; F688-L692 VanDerWaalsContact O-CG 3.28Å; F688-L692 WeakPolarHBondContact O-CG 3.47Å; F688-L692 PolarHBondContact O-N 2.79Å; F688-L692 VanDerWaalsContact O-N 3.12Å; F688-L710 HydrophobicContact CB-CD1 3.97Å; F688-L710 HydrophobicContact CD1-CD1 4.28Å; F688-L710 HydrophobicContact CD2-CD1 4.15Å; F688-L710 HydrophobicContact CG-CD1 3.9Å |
| 689 | F | 90.6 | Very high | 90.9 | Very high | 79 Ų | 79 | 65.7 Ų | 65.7 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.2 | -50.3 | 178.3 | -170.8 | -80.3 | 0 | 0 | 0 | 111.1 | M685 F686 R687 T691 L692 D693 G698 V700 | M685-F689 WeakPolarHBondContact O-CB 3.26Å; M685-F689 PolarHBondContact O-N 3.22Å; F686-F689 PolarHBondContact O-N 3.29Å; R687-F689 PolarHBondContact O-N 3.46Å; F689-T691 VanDerWaalsContact C-N 3.29Å; F689-T691 PolarHBondContact O-N 3.34Å; F689-L692 PolarHBondContact O-N 3.32Å; F689-D693 HydrophobicContact CD1-CB 4.12Å; F689-D693 HydrophobicContact CE1-CB 3.87Å; F689-D693 WeakPolarHBondContact CE1-OD2 3.37Å; F689-D693 WeakPolarHBondContact O-CB 3.34Å; F689-D693 PolarHBondContact O-N 3.31Å; F689-G698 WeakPolarHBondContact CZ-O 3.38Å; F689-V700 HydrophobicContact CD1-CG1 4.47Å; F689-V700 HydrophobicContact CD2-CG1 4.01Å; F689-V700 HydrophobicContact CD2-CG2 3.75Å; F689-V700 HydrophobicContact CE1-CG1 4.31Å; F689-V700 HydrophobicContact CE2-CB 4.31Å; F689-V700 HydrophobicContact CE2-CG1 3.86Å; F689-V700 HydrophobicContact CE2-CG2 3.51Å; F689-V700 HydrophobicContact CG-CG1 4.32Å; F689-V700 HydrophobicContact CZ-CG1 4.01Å; F689-V700 HydrophobicContact CZ-CG2 4.34Å |
| 690 | K | 89.2 | Confident | 90.7 | Very high | 122 Ų | 122 | 67.1 Ų | 67.1 | 53% | 0.53 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -33.5 | 178.7 | -73.4 | -179.8 | -179.2 | -179.2 | 0 | 113.2 | A530 F686 R687 F688 L692 | A530-K690 PolarHBondContact O-NZ 3.42Å; F686-K690 WeakPolarHBondContact O-CB 3.24Å; F686-K690 WeakPolarHBondContact O-CG 3.44Å; F686-K690 PolarHBondContact O-N 3.46Å; R687-K690 PolarHBondContact O-N 2.82Å; F688-K690 PolarHBondContact O-N 3.4Å; K690-L692 VanDerWaalsContact C-N 3.3Å |
| 691 | T | 87.2 | Confident | 90.4 | Very high | 104 Ų | 104 | 73.3 Ų | 73.3 | 64% | 0.638 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.3 | -28.5 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | R687 F688 F689 | R687-T691 PolarHBondContact O-N 3.4Å; R687-T691 PolarHBondContact O-OG1 2.99Å; F688-T691 PolarHBondContact O-N 2.88Å; F689-T691 VanDerWaalsContact C-N 3.29Å; F689-T691 PolarHBondContact O-N 3.34Å |
| 692 | L | 89.5 | Confident | 90.2 | Very high | 74 Ų | 74 | 74.4 Ų | 74.4 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -95.4 | -27.9 | -175 | -66.3 | 159.4 | 0 | 0 | 0 | 112.7 | F688 F689 K690 T694 V700 F702 L710 | F688-L692 VanDerWaalsContact O-CD1 3.28Å; F688-L692 WeakPolarHBondContact O-CD1 3.2Å; F688-L692 VanDerWaalsContact O-CG 3.28Å; F688-L692 WeakPolarHBondContact O-CG 3.47Å; F688-L692 PolarHBondContact O-N 2.79Å; F688-L692 VanDerWaalsContact O-N 3.12Å; F689-L692 PolarHBondContact O-N 3.32Å; K690-L692 VanDerWaalsContact C-N 3.3Å; L692-T694 VanDerWaalsContact C-N 3.31Å; L692-T694 PolarHBondContact O-N 3.29Å; L692-T694 VanDerWaalsContact O-N 3.09Å; L692-V700 HydrophobicContact CB-CG1 3.96Å; L692-F702 HydrophobicContact CB-CE1 4.36Å; L692-F702 HydrophobicContact CD1-CE1 3.6Å; L692-F702 HydrophobicContact CD1-CZ 3.92Å; L692-F702 HydrophobicContact CD2-CE1 4.44Å; L692-F702 HydrophobicContact CG-CE1 4.32Å; L692-L710 HydrophobicContact CD1-CD1 4.46Å |
| 693 | D | 92.6 | Very high | 90.1 | Very high | 14 Ų | 14 | 77.4 Ų | 77.4 | 8% | 0.075 | 42% | 0.416 | C | S | . | . | trans | -81.3 | 71.5 | 175.2 | -175.4 | 10.1 | 0 | 0 | 0 | 110.7 | F689 D695 L696 D697 G698 V700 | F689-D693 HydrophobicContact CD1-CB 4.12Å; F689-D693 HydrophobicContact CE1-CB 3.87Å; F689-D693 WeakPolarHBondContact CE1-OD2 3.37Å; F689-D693 WeakPolarHBondContact O-CB 3.34Å; F689-D693 PolarHBondContact O-N 3.31Å; D693-D695 VanDerWaalsContact C-N 3.33Å; D693-D695 PolarHBondContact O-N 3.03Å; D693-L696 WeakPolarHBondContact OD1-CA 3.39Å; D693-L696 PolarHBondContact OD1-N 2.96Å; D693-D697 PolarHBondContact OD1-N 3.08Å; D693-G698 WeakPolarHBondContact OD2-CA 3.36Å; D693-G698 PolarHBondContact OD2-N 2.87Å; D693-V700 HydrophobicContact CB-CG1 3.83Å | ||
| 694 | T | 90.4 | Very high | 90 | Very high | 127 Ų | 127 | 83.3 Ų | 83.3 | 78% | 0.779 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -73.7 | -22.5 | -173.8 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | L692 | L692-T694 VanDerWaalsContact C-N 3.31Å; L692-T694 PolarHBondContact O-N 3.29Å; L692-T694 VanDerWaalsContact O-N 3.09Å |
| 695 | D | 92.2 | Very high | 90.1 | Very high | 109 Ų | 109 | 90.2 Ų | 90.2 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -99.1 | -5.3 | 179.2 | 53.6 | -14.6 | 0 | 0 | 0 | 113.5 | D693 D697 | D693-D695 VanDerWaalsContact C-N 3.33Å; D693-D695 PolarHBondContact O-N 3.03Å; D695-D697 PolarHBondContact O-N 3.39Å |
| 696 | L | 89.5 | Confident | 89.9 | Confident | 149 Ų | 149 | 90.9 Ų | 90.9 | 78% | 0.78 | 48% | 0.477 | S | S | * | . | trans | 60.3 | 32.4 | 175.6 | -54.6 | 173.6 | 0 | 0 | 0 | 112.6 | D693 G698 | D693-L696 WeakPolarHBondContact OD1-CA 3.39Å; D693-L696 PolarHBondContact OD1-N 2.96Å; L696-G698 VanDerWaalsContact C-N 3.31Å | ||
| 697 | D | 92.1 | Very high | 89.8 | Confident | 97 Ų | 97 | 95.7 Ų | 95.7 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -86.6 | -7.5 | 177.4 | 83.3 | -13.5 | 0 | 0 | 0 | 112.3 | D693 D695 V699 | D693-D697 PolarHBondContact OD1-N 3.08Å; D695-D697 PolarHBondContact O-N 3.39Å; D697-V699 WeakPolarHBondContact OD1-CA 3.35Å; D697-V699 WeakPolarHBondContact OD1-CB 3.31Å; D697-V699 PolarHBondContact OD1-N 3.28Å |
| 698 | G | 90.2 | Very high | 89.8 | Confident | 47 Ų | 47 | 95.9 Ų | 95.9 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | S | Bend | trans | 81.1 | 15.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F689 D693 L696 | F689-G698 WeakPolarHBondContact CZ-O 3.38Å; D693-G698 WeakPolarHBondContact OD2-CA 3.36Å; D693-G698 PolarHBondContact OD2-N 2.87Å; L696-G698 VanDerWaalsContact C-N 3.31Å |
| 699 | V | 91.1 | Very high | 89.7 | Confident | 89 Ų | 89 | 96.9 Ų | 96.9 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | trans | -128.4 | 133.4 | 178.8 | -175.6 | 0 | 0 | 0 | 0 | 110 | D697 | D697-V699 WeakPolarHBondContact OD1-CA 3.35Å; D697-V699 WeakPolarHBondContact OD1-CB 3.31Å; D697-V699 PolarHBondContact OD1-N 3.28Å | ||
| 700 | V | 90.3 | Very high | 89.2 | Confident | 31 Ų | 31 | 95 Ų | 95 | 19% | 0.188 | 50% | 0.5 | C | S | . | . | trans | -119.8 | 135.6 | 175.6 | -68.6 | 0 | 0 | 0 | 0 | 110.2 | F689 L692 D693 F702 | F689-V700 HydrophobicContact CD1-CG1 4.47Å; F689-V700 HydrophobicContact CD2-CG1 4.01Å; F689-V700 HydrophobicContact CD2-CG2 3.75Å; F689-V700 HydrophobicContact CE1-CG1 4.31Å; F689-V700 HydrophobicContact CE2-CB 4.31Å; F689-V700 HydrophobicContact CE2-CG1 3.86Å; F689-V700 HydrophobicContact CE2-CG2 3.51Å; F689-V700 HydrophobicContact CG-CG1 4.32Å; F689-V700 HydrophobicContact CZ-CG1 4.01Å; F689-V700 HydrophobicContact CZ-CG2 4.34Å; L692-V700 HydrophobicContact CB-CG1 3.96Å; D693-V700 HydrophobicContact CB-CG1 3.83Å; V700-F702 HydrophobicContact CB-CE1 4.15Å; V700-F702 HydrophobicContact CB-CE2 3.97Å; V700-F702 HydrophobicContact CB-CZ 3.51Å; V700-F702 HydrophobicContact CG1-CZ 4.46Å; V700-F702 HydrophobicContact CG2-CD2 4.48Å; V700-F702 HydrophobicContact CG2-CE1 4.39Å; V700-F702 HydrophobicContact CG2-CE2 3.37Å; V700-F702 HydrophobicContact CG2-CZ 3.32Å | ||
| 701 | T | 88.2 | Confident | 88.9 | Confident | 130 Ų | 130 | 91.8 Ų | 91.8 | 80% | 0.798 | 49% | 0.491 | S | S | * | . | trans | -111.5 | 126.1 | -175.4 | -18.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 702 | F | 87.4 | Confident | 88.5 | Confident | 66 Ų | 66 | 94 Ų | 94 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | trans | -125.9 | 142.3 | 178.9 | -49.7 | -59.7 | 0 | 0 | 0 | 110.7 | L692 V700 K706 W707 | L692-F702 HydrophobicContact CB-CE1 4.36Å; L692-F702 HydrophobicContact CD1-CE1 3.6Å; L692-F702 HydrophobicContact CD1-CZ 3.92Å; L692-F702 HydrophobicContact CD2-CE1 4.44Å; L692-F702 HydrophobicContact CG-CE1 4.32Å; V700-F702 HydrophobicContact CB-CE1 4.15Å; V700-F702 HydrophobicContact CB-CE2 3.97Å; V700-F702 HydrophobicContact CB-CZ 3.51Å; V700-F702 HydrophobicContact CG1-CZ 4.46Å; V700-F702 HydrophobicContact CG2-CD2 4.48Å; V700-F702 HydrophobicContact CG2-CE1 4.39Å; V700-F702 HydrophobicContact CG2-CE2 3.37Å; V700-F702 HydrophobicContact CG2-CZ 3.32Å; F702-K706 HydrophobicContact CB-CB 4.25Å; F702-K706 HydrophobicContact CD1-CB 4.31Å; F702-W707 HydrophobicContact CB-CB 4.32Å; F702-W707 HydrophobicContact CD2-CE3 4.35Å | ||
| 703 | D | 92 | Very high | 87.3 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | trans | -78.8 | 173.6 | 156.1 | 60.6 | 40.3 | 0 | 0 | 0 | 110.1 | F705 K706 W707 | D703-F705 VanDerWaalsContact C-N 3.26Å; D703-F705 PolarHBondContact O-N 3.24Å; D703-F705 PolarHBondContact OD1-N 3.01Å; D703-K706 PolarHBondContact O-N 2.83Å; D703-K706 WeakPolarHBondContact OD1-CB 3.26Å; D703-K706 WeakPolarHBondContact OD1-CG 3.25Å; D703-K706 PolarHBondContact OD1-N 3.02Å; D703-W707 WeakPolarHBondContact O-CB 3.18Å; D703-W707 PolarHBondContact O-N 3.47Å | ||
| 704 | L | 91.2 | Very high | 85.4 | Confident | 125 Ų | 125 | 97.7 Ų | 97.7 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.2 | -36.8 | -179.9 | 179.8 | 61.2 | 0 | 0 | 0 | 112.3 | W707 L708 | L704-W707 PolarHBondContact O-N 3.16Å; L704-L708 HydrophobicContact CD1-CD1 3.97Å; L704-L708 HydrophobicContact CD1-CG 4.05Å; L704-L708 HydrophobicContact CG-CD1 3.86Å; L704-L708 HydrophobicContact CG-CG 4.37Å; L704-L708 WeakPolarHBondContact O-CB 3.23Å; L704-L708 VanDerWaalsContact O-CG 3.23Å; L704-L708 WeakPolarHBondContact O-CG 3.38Å; L704-L708 PolarHBondContact O-N 3.16Å |
| 705 | F | 90.4 | Very high | 85.1 | Confident | 148 Ų | 148 | 96.2 Ų | 96.2 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.9 | -49.7 | -177.6 | 178 | -99.4 | 0 | 0 | 0 | 111.1 | D703 W707 L708 Q709 | D703-F705 VanDerWaalsContact C-N 3.26Å; D703-F705 PolarHBondContact O-N 3.24Å; D703-F705 PolarHBondContact OD1-N 3.01Å; F705-W707 VanDerWaalsContact C-N 3.33Å; F705-W707 PolarHBondContact O-N 3.04Å; F705-L708 PolarHBondContact O-N 3.09Å; F705-Q709 WeakPolarHBondContact O-CB 3.22Å; F705-Q709 PolarHBondContact O-N 2.9Å |
| 706 | K | 87.6 | Confident | 84.8 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 175.6 | -71.3 | 179.7 | -178.7 | 179 | 0 | 111.9 | F702 D703 Q709 L710 | F702-K706 HydrophobicContact CB-CB 4.25Å; F702-K706 HydrophobicContact CD1-CB 4.31Å; D703-K706 PolarHBondContact O-N 2.83Å; D703-K706 WeakPolarHBondContact OD1-CB 3.26Å; D703-K706 WeakPolarHBondContact OD1-CG 3.25Å; D703-K706 PolarHBondContact OD1-N 3.02Å; K706-Q709 PolarHBondContact O-N 3.48Å; K706-L710 WeakPolarHBondContact O-CB 3.48Å; K706-L710 PolarHBondContact O-N 2.98Å |
| 707 | W | 88.5 | Confident | 84.5 | Confident | 129 Ų | 129 | 92.6 Ų | 92.6 | 49% | 0.489 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 174.9 | 171.7 | -100.2 | 0 | 0 | 0 | 112 | F702 D703 L704 F705 L710 T711 | F702-W707 HydrophobicContact CB-CB 4.32Å; F702-W707 HydrophobicContact CD2-CE3 4.35Å; D703-W707 WeakPolarHBondContact O-CB 3.18Å; D703-W707 PolarHBondContact O-N 3.47Å; L704-W707 PolarHBondContact O-N 3.16Å; F705-W707 VanDerWaalsContact C-N 3.33Å; F705-W707 PolarHBondContact O-N 3.04Å; W707-L710 PolarHBondContact O-N 3.34Å; W707-T711 HydrophobicContact CD2-CG2 3.9Å; W707-T711 HydrophobicContact CE3-CG2 4.08Å; W707-T711 HydrophobicContact CH2-CG2 3.8Å; W707-T711 HydrophobicContact CZ2-CG2 3.6Å; W707-T711 HydrophobicContact CZ3-CG2 4.03Å; W707-T711 WeakPolarHBondContact O-CB 3.22Å; W707-T711 WeakPolarHBondContact O-CG2 3.08Å; W707-T711 PolarHBondContact O-N 3.3Å; W707-T711 PolarHBondContact O-OG1 3.2Å |
| 708 | L | 89.8 | Confident | 84.1 | Confident | 84 Ų | 84 | 92.3 Ų | 92.3 | 44% | 0.44 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 177.9 | -70.6 | 168.8 | 0 | 0 | 0 | 111.4 | L704 F705 L710 T711 M712 | L704-L708 HydrophobicContact CD1-CD1 3.97Å; L704-L708 HydrophobicContact CD1-CG 4.05Å; L704-L708 HydrophobicContact CG-CD1 3.86Å; L704-L708 HydrophobicContact CG-CG 4.37Å; L704-L708 WeakPolarHBondContact O-CB 3.23Å; L704-L708 VanDerWaalsContact O-CG 3.23Å; L704-L708 WeakPolarHBondContact O-CG 3.38Å; L704-L708 PolarHBondContact O-N 3.16Å; F705-L708 PolarHBondContact O-N 3.09Å; L708-L710 VanDerWaalsContact C-N 3.34Å; L708-L710 PolarHBondContact O-N 3.17Å; L708-T711 PolarHBondContact O-N 3.03Å; L708-M712 WeakPolarHBondContact O-CB 3.45Å; L708-M712 VanDerWaalsContact O-CG 3.28Å; L708-M712 WeakPolarHBondContact O-CG 3.28Å; L708-M712 PolarHBondContact O-N 2.87Å |
| 709 | Q | 83.4 | Confident | 83.7 | Confident | 112 Ų | 112 | 95.1 Ų | 95.1 | 52% | 0.523 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 176.1 | -172.1 | 176.8 | -14.3 | 0 | 0 | 111 | F705 K706 F713 | F705-Q709 WeakPolarHBondContact O-CB 3.22Å; F705-Q709 PolarHBondContact O-N 2.9Å; K706-Q709 PolarHBondContact O-N 3.48Å; Q709-F713 WeakPolarHBondContact O-CB 3.48Å; Q709-F713 PolarHBondContact O-N 3.3Å |
| 710 | L | 81.6 | Confident | 83.2 | Confident | 40 Ų | 40 | 95.5 Ų | 95.5 | 21% | 0.209 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.6 | -49.8 | 177.3 | -171.5 | 96.4 | 0 | 0 | 0 | 111.8 | F688 L692 K706 W707 L708 A714 | F688-L710 HydrophobicContact CB-CD1 3.97Å; F688-L710 HydrophobicContact CD1-CD1 4.28Å; F688-L710 HydrophobicContact CD2-CD1 4.15Å; F688-L710 HydrophobicContact CG-CD1 3.9Å; L692-L710 HydrophobicContact CD1-CD1 4.46Å; K706-L710 WeakPolarHBondContact O-CB 3.48Å; K706-L710 PolarHBondContact O-N 2.98Å; W707-L710 PolarHBondContact O-N 3.34Å; L708-L710 VanDerWaalsContact C-N 3.34Å; L708-L710 PolarHBondContact O-N 3.17Å; L710-A714 WeakPolarHBondContact O-CB 3.26Å; L710-A714 PolarHBondContact O-N 3.37Å |
| 711 | T | 81.9 | Confident | 82.7 | Confident | 53 Ų | 53 | 100.1 Ų | 100.1 | 33% | 0.325 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -80.2 | -24.7 | -170 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | W707 L708 | W707-T711 HydrophobicContact CD2-CG2 3.9Å; W707-T711 HydrophobicContact CE3-CG2 4.08Å; W707-T711 HydrophobicContact CH2-CG2 3.8Å; W707-T711 HydrophobicContact CZ2-CG2 3.6Å; W707-T711 HydrophobicContact CZ3-CG2 4.03Å; W707-T711 WeakPolarHBondContact O-CB 3.22Å; W707-T711 WeakPolarHBondContact O-CG2 3.08Å; W707-T711 PolarHBondContact O-N 3.3Å; W707-T711 PolarHBondContact O-OG1 3.2Å; L708-T711 PolarHBondContact O-N 3.03Å |
| 712 | M | 78.4 | Confident | 82.3 | Confident | 152 Ų | 152 | 97.8 Ų | 97.8 | 75% | 0.749 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -81.6 | -29.9 | 175.8 | -72.6 | -68.5 | -59.8 | 0 | 0 | 113 | L708 | L708-M712 WeakPolarHBondContact O-CB 3.45Å; L708-M712 VanDerWaalsContact O-CG 3.28Å; L708-M712 WeakPolarHBondContact O-CG 3.28Å; L708-M712 PolarHBondContact O-N 2.87Å |
| 713 | F | 64.9 | Low | 81.8 | Confident | 153 Ų | 153 | 100.5 Ų | 100.5 | 67% | 0.671 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -98 | -17.1 | -178.8 | -105.5 | -95.4 | 0 | 0 | 0 | 114 | N595 Q709 | N595-F713 PolarHBondContact ND2-O 2.85Å; Q709-F713 WeakPolarHBondContact O-CB 3.48Å; Q709-F713 PolarHBondContact O-N 3.3Å |
| 714 | A | 52.4 | Low | 80.9 | Confident | 11 Ų | 11 | 101.7 Ų | 101.7 | 9% | 0.091 | 48% | 0.481 | C | S | . | . | trans | -75.1 | 0 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | R681 L710 | R681-A714 VanDerWaalsContact CZ-C 3.47Å; R681-A714 PolarHBondContact NH1-O 3.42Å; R681-A714 PolarHBondContact NH1-OXT 2.9Å; R681-A714 PolarHBondContact NH2-O 3Å; L710-A714 WeakPolarHBondContact O-CB 3.26Å; L710-A714 PolarHBondContact O-N 3.37Å |
Retrieved 714 of 714 residues in 264.8 ms
(Link to these results)