| 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 | 36.9 | Very low | 39.6 | Very low | 240 Ų | 240 | 166.2 Ų | 166.2 | 100% | 1.182 | 83% | 0.833 | S | S | * | * | 0 | 90.7 | 0 | -71.1 | 178.5 | -167.7 | 0 | 0 | 108.3 | |||||
| 2 | T | 32.3 | Very low | 40.4 | Very low | 142 Ų | 142 | 170.5 Ų | 170.5 | 87% | 0.871 | 84% | 0.835 | S | S | * | * | trans | -93.7 | 102.9 | 175.4 | 14.4 | 0 | 0 | 0 | 0 | 107.6 | T4 | T2-T4 PolarHBondContact O-N 3.04Š| ||
| 3 | V | 35.2 | Very low | 41.8 | Very low | 132 Ų | 132 | 175.1 Ų | 175.1 | 80% | 0.8 | 84% | 0.838 | S | S | * | * | trans | -76.7 | 102.7 | 175 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | K5 | V3-K5 PolarHBondContact O-N 2.86Å; V3-K5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | T | 38.2 | Very low | 44.2 | Very low | 129 Ų | 129 | 169.1 Ų | 169.1 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -65.8 | 106.3 | 166.4 | 12 | 0 | 0 | 0 | 0 | 108.6 | T2 M6 | T2-T4 PolarHBondContact O-N 3.04Å; T4-M6 PolarHBondContact O-N 3.29Å | ||
| 5 | K | 39.6 | Very low | 47 | Very low | 197 Ų | 197 | 159.3 Ų | 159.3 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -65.6 | 97 | 164.2 | -87.6 | -177.9 | 174 | 177.1 | 0 | 108.1 | V3 S7 | V3-K5 PolarHBondContact O-N 2.86Å; V3-K5 VanDerWaalsContact O-N 3.17Å; K5-S7 PolarHBondContact O-N 3.43Å; K5-S7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | M | 37.8 | Very low | 49.8 | Very low | 168 Ų | 168 | 155.2 Ų | 155.2 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | -65.6 | 106 | 160.5 | -79.7 | -154.8 | -78.5 | 0 | 0 | 108 | T4 W8 | T4-M6 PolarHBondContact O-N 3.29Å; M6-W8 PolarHBondContact O-N 3.49Å; M6-W8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | S | 40.3 | Very low | 52.4 | Low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | trans | -72.2 | 98 | 168.2 | 58.2 | 0 | 0 | 0 | 0 | 108.7 | K5 R9 | K5-S7 PolarHBondContact O-N 3.43Å; K5-S7 VanDerWaalsContact O-N 3.11Å; S7-R9 PolarHBondContact O-N 3.02Å | ||
| 8 | W | 44.5 | Very low | 54.7 | Low | 229 Ų | 229 | 144.4 Ų | 144.4 | 87% | 0.867 | 70% | 0.696 | S | S | * | * | trans | -66.5 | 88.7 | 161.5 | -106.4 | 83.2 | 0 | 0 | 0 | 108.2 | M6 | M6-W8 PolarHBondContact O-N 3.49Å; M6-W8 VanDerWaalsContact O-N 3.09Å | ||
| 9 | R | 39.1 | Very low | 56.8 | Low | 213 Ų | 213 | 142.4 Ų | 142.4 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | -97.3 | 109.6 | 159.5 | -69.2 | -170.7 | -178.9 | -166.3 | 1.4 | 106 | S7 Q11 | S7-R9 PolarHBondContact O-N 3.02Å; R9-Q11 PolarHBondContact O-N 2.9Å | ||
| 10 | P | 45.7 | Very low | 58.8 | Low | 97 Ų | 97 | 135.3 Ų | 135.3 | 63% | 0.63 | 66% | 0.655 | S | S | * | * | trans | -56 | 115.5 | 164.8 | -14.8 | 27.5 | 0 | 0 | 0 | 106.3 | Y12 | P10-Y12 PolarHBondContact O-N 3.25Š| ||
| 11 | Q | 46.3 | Very low | 60.7 | Low | 184 Ų | 184 | 133.7 Ų | 133.7 | 86% | 0.86 | 64% | 0.643 | S | S | * | * | trans | -67.9 | 87.1 | 167.6 | -107.1 | 165.6 | -16.2 | 0 | 0 | 105.9 | R9 R13 | R9-Q11 PolarHBondContact O-N 2.9Å; Q11-R13 PolarHBondContact O-N 3.43Å | ||
| 12 | Y | 49.4 | Very low | 63.6 | Low | 218 Ų | 218 | 123 Ų | 123 | 86% | 0.855 | 60% | 0.595 | S | S | * | * | trans | -67.4 | 81.5 | 170.5 | -154.8 | -89.1 | 0 | 0 | 0 | 106.6 | P10 S14 | P10-Y12 PolarHBondContact O-N 3.25Å; Y12-S14 PolarHBondContact O-N 3.48Å | ||
| 13 | R | 57.6 | Low | 66.7 | Low | 230 Ų | 230 | 121.9 Ų | 121.9 | 87% | 0.868 | 58% | 0.578 | S | S | * | * | trans | -67.2 | 102.9 | 169.4 | -93.3 | -171.5 | 172 | -177.7 | -0.8 | 106.1 | Q11 S15 | Q11-R13 PolarHBondContact O-N 3.43Å; R13-S15 PolarHBondContact O-N 3.02Å; R13-S15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | S | 75.9 | Confident | 69.7 | Low | 91 Ų | 91 | 117.9 Ų | 117.9 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | trans | -60.3 | 116.4 | 168.2 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | Y12 K16 | Y12-S14 PolarHBondContact O-N 3.48Å; S14-K16 PolarHBondContact O-N 3.2Å | ||
| 15 | S | 85.8 | Confident | 72.5 | Confident | 22 Ų | 22 | 113 Ų | 113 | 15% | 0.154 | 53% | 0.526 | C | S | . | . | trans | -51.9 | 132.8 | 172.5 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | R13 F17 R18 E299 | R13-S15 PolarHBondContact O-N 3.02Å; R13-S15 VanDerWaalsContact O-N 3.13Å; S15-F17 PolarHBondContact O-N 3.35Å; S15-F17 PolarHBondContact OG-N 3.25Å; S15-R18 WeakPolarHBondContact O-CB 3.5Å; S15-R18 PolarHBondContact O-N 3.03Å; S15-R18 PolarHBondContact OG-N 3.01Å; S15-E299 WeakPolarHBondContact CB-OE2 3.3Å; S15-E299 PolarHBondContact OG-OE2 3.1Å | ||
| 16 | K | 92 | Very high | 75.2 | Confident | 94 Ų | 94 | 108 Ų | 108 | 41% | 0.409 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.9 | 171.1 | 68.7 | -170.4 | -177.6 | -171.3 | 0 | 112.3 | S14 D367 I368 | S14-K16 PolarHBondContact O-N 3.2Å; K16-D367 PolarHBondContact NZ-O 3.12Å; K16-I368 HydrophobicContact CD-CG2 4.12Å |
| 17 | F | 95.2 | Very high | 77.9 | Confident | 2 Ų | 2 | 105.9 Ų | 105.9 | 1% | 0.009 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 1.9 | -180 | -54.4 | -66.5 | 0 | 0 | 0 | 113.6 | S15 N19 V20 T282 M284 L310 V357 I368 | S15-F17 PolarHBondContact O-N 3.35Å; S15-F17 PolarHBondContact OG-N 3.25Å; F17-N19 PolarHBondContact O-N 2.91Å; F17-V20 HydrophobicContact CB-CG2 3.9Å; F17-V20 HydrophobicContact CD1-CG2 4.06Å; F17-V20 HydrophobicContact CG-CG2 4.5Å; F17-V20 WeakPolarHBondContact O-CB 3.44Å; F17-V20 WeakPolarHBondContact O-CG2 3.4Å; F17-V20 PolarHBondContact O-N 2.94Å; F17-T282 HydrophobicContact CE1-CG2 3.76Å; F17-T282 WeakPolarHBondContact CE2-O 3.48Å; F17-T282 HydrophobicContact CZ-CG2 3.58Å; F17-M284 HydrophobicContact CB-CG 4.37Å; F17-M284 HydrophobicContact CB-SD 3.8Å; F17-M284 HydrophobicContact CD1-SD 3.81Å; F17-M284 HydrophobicContact CD2-CG 4.27Å; F17-M284 HydrophobicContact CD2-SD 4.48Å; F17-M284 HydrophobicContact CG-CG 4.16Å; F17-M284 HydrophobicContact CG-SD 3.79Å; F17-L310 HydrophobicContact CB-CD1 4.03Å; F17-V357 HydrophobicContact CD1-CG2 3.78Å; F17-V357 HydrophobicContact CE1-CG2 4.07Å; F17-I368 HydrophobicContact CE1-CB 4.38Å; F17-I368 HydrophobicContact CE1-CG2 4.07Å |
| 18 | R | 93.4 | Very high | 80.5 | Confident | 114 Ų | 114 | 106.2 Ų | 106.2 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -34.8 | -178.1 | 178.3 | 61.8 | -172 | 103.5 | -13.3 | 114.1 | S15 L310 | S15-R18 WeakPolarHBondContact O-CB 3.5Å; S15-R18 PolarHBondContact O-N 3.03Å; S15-R18 PolarHBondContact OG-N 3.01Å; R18-L310 PolarHBondContact NH1-O 3.48Å |
| 19 | N | 94.3 | Very high | 83 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 57% | 0.572 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 16.3 | -174 | -58.5 | -38.9 | 0 | 0 | 0 | 112.8 | F17 Y21 P358 | F17-N19 PolarHBondContact O-N 2.91Å; N19-Y21 PolarHBondContact O-N 3.42Å; N19-P358 HydrophobicContact CB-CG 3.8Å; N19-P358 WeakPolarHBondContact O-CD 3.19Å; N19-P358 WeakPolarHBondContact O-CG 3.47Å |
| 20 | V | 97.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 43% | 0.426 | C | S | . | . | trans | -57 | 133.4 | 171.9 | 166.7 | 0 | 0 | 0 | 0 | 109.2 | F17 M284 Y297 M311 M355 I356 V357 | F17-V20 HydrophobicContact CB-CG2 3.9Å; F17-V20 HydrophobicContact CD1-CG2 4.06Å; F17-V20 HydrophobicContact CG-CG2 4.5Å; F17-V20 WeakPolarHBondContact O-CB 3.44Å; F17-V20 WeakPolarHBondContact O-CG2 3.4Å; F17-V20 PolarHBondContact O-N 2.94Å; V20-M284 HydrophobicContact CB-CE 4.23Å; V20-M284 HydrophobicContact CG1-CE 4.05Å; V20-M284 HydrophobicContact CG2-CE 4.27Å; V20-M284 HydrophobicContact CG2-SD 4.08Å; V20-Y297 HydrophobicContact CB-CE2 4.36Å; V20-Y297 HydrophobicContact CG1-CE2 4.3Å; V20-Y297 WeakPolarHBondContact O-CE2 3.43Å; V20-Y297 PolarHBondContact O-OH 3.02Å; V20-Y297 VanDerWaalsContact O-OH 3.13Å; V20-M311 WeakPolarHBondContact O-CE 3.14Å; V20-M355 HydrophobicContact CG1-CB 4.08Å; V20-M355 HydrophobicContact CG1-CE 3.85Å; V20-I356 VanDerWaalsContact CA-O 3.29Å; V20-I356 WeakPolarHBondContact CA-O 3.3Å; V20-V357 HydrophobicContact CG2-CB 4.43Å; V20-V357 HydrophobicContact CG2-CG2 3.58Å | ||
| 21 | Y | 97.5 | Very high | 88.3 | Confident | 101 Ų | 101 | 85.7 Ų | 85.7 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151 | 177.4 | 69 | -83.1 | 0 | 0 | 0 | 111.2 | N19 K23 M355 I356 P358 | N19-Y21 PolarHBondContact O-N 3.42Å; Y21-K23 HydrophobicContact CE2-CB 4.1Å; Y21-M355 WeakPolarHBondContact O-CA 3.34Å; Y21-I356 HydrophobicContact CD1-CB 4.45Å; Y21-I356 HydrophobicContact CE1-CB 3.92Å; Y21-I356 HydrophobicContact CE1-CG2 3.8Å; Y21-I356 HydrophobicContact CE2-CB 4.43Å; Y21-I356 HydrophobicContact CE2-CD1 4.38Å; Y21-I356 PolarHBondContact N-O 2.94Å; Y21-I356 VanDerWaalsContact N-O 3.1Å; Y21-I356 PolarHBondContact O-N 2.93Å; Y21-P358 HydrophobicContact CE1-CB 4.22Å |
| 22 | G | 98.1 | Very high | 90.7 | Very high | 17 Ų | 17 | 78.8 Ų | 78.8 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S354 | G22-S354 CarbonylContact C-O 3.58Å; G22-S354 WeakPolarHBondContact CA-O 3.41Å |
| 23 | K | 98.1 | Very high | 93 | Very high | 118 Ų | 118 | 70.3 Ų | 70.3 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.9 | 173.1 | -176.3 | -176.1 | 177.2 | -173.6 | 0 | 109.3 | Y21 I353 S354 I356 | Y21-K23 HydrophobicContact CE2-CB 4.1Å; K23-I353 WeakPolarHBondContact O-CA 3.36Å; K23-S354 PolarHBondContact N-O 3Å; K23-S354 PolarHBondContact O-N 2.95Å; K23-I356 HydrophobicContact CB-CD1 3.84Å; K23-I356 HydrophobicContact CD-CD1 3.82Å; K23-I356 HydrophobicContact CG-CD1 4.49Å |
| 24 | V | 98 | Very high | 94.8 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 136.3 | 173.8 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | F313 E351 | V24-F313 HydrophobicContact CG2-CE2 3.55Å; V24-F313 HydrophobicContact CG2-CZ 3.44Å; V24-F313 VanDerWaalsContact CG2-CZ 3.44Å; V24-E351 HydrophobicContact CG1-CG 3.4Å; V24-E351 VanDerWaalsContact CG1-CG 3.4Å; V24-E351 WeakPolarHBondContact CG1-OE1 3.41Å |
| 25 | A | 97.4 | Very high | 95.8 | Very high | 26 Ų | 26 | 57.7 Ų | 57.7 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 146.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H29 P352 | A25-H29 HydrophobicContact CB-CB 4.04Å; A25-P352 HydrophobicContact CB-CB 3.89Å; A25-P352 HydrophobicContact CB-CG 4.1Å; A25-P352 PolarHBondContact N-O 3.41Å |
| 26 | N | 96.2 | Very high | 96.3 | Very high | 93 Ų | 93 | 57 Ų | 57 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 161.5 | 173.5 | -62 | -14.9 | 0 | 0 | 0 | 111 | E28 H29 C30 | N26-E28 HydrophobicContact CB-CG 4.28Å; N26-E28 WeakPolarHBondContact CB-OE1 3.38Å; N26-E28 VanDerWaalsContact CB-OE2 3.28Å; N26-E28 WeakPolarHBondContact CB-OE2 3.46Å; N26-E28 PolarHBondContact ND2-OE1 3.37Å; N26-E28 PolarHBondContact O-N 3.11Å; N26-H29 CarbonylContact O-C 3.47Å; N26-H29 WeakPolarHBondContact O-CA 3.34Å; N26-H29 PolarHBondContact O-N 2.96Å; N26-C30 PolarHBondContact O-N 3.04Å; N26-C30 PolarHBondContact O-SG 2.92Å; N26-C30 VanDerWaalsContact O-SG 3.33Å |
| 27 | R | 93.9 | Very high | 96.4 | Very high | 124 Ų | 124 | 52.6 Ų | 52.6 | 47% | 0.468 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -57.8 | -37.5 | -173.6 | -177.5 | 60.1 | 172.9 | 176.7 | 2.2 | 112.7 | H29 C30 D32 | R27-H29 PolarHBondContact O-N 3.32Å; R27-C30 WeakPolarHBondContact O-CB 3.48Å; R27-C30 PolarHBondContact O-N 3.3Å; R27-D32 IonicContact CZ-OD1 3.92Å; R27-D32 IonicContact CZ-OD2 2.84Å; R27-D32 IonicContact NH1-OD1 2.67Å; R27-D32 IonicContact NH2-OD1 3.55Å; R27-D32 PolarHBondContact NH2-OD1 3.49Å; R27-D32 IonicContact NH2-OD2 3.51Å; R27-D32 PolarHBondContact NH2-OD2 3.41Å |
| 28 | E | 95 | Very high | 96.2 | Very high | 104 Ų | 104 | 59.3 Ų | 59.3 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -64.6 | -22.5 | 176.6 | 62.1 | -84.9 | -167.8 | 0 | 0 | 113.8 | N26 T73 G74 | N26-E28 HydrophobicContact CB-CG 4.28Å; N26-E28 WeakPolarHBondContact CB-OE1 3.38Å; N26-E28 VanDerWaalsContact CB-OE2 3.28Å; N26-E28 WeakPolarHBondContact CB-OE2 3.46Å; N26-E28 PolarHBondContact ND2-OE1 3.37Å; N26-E28 PolarHBondContact O-N 3.11Å; E28-T73 WeakPolarHBondContact O-CB 3.16Å; E28-T73 PolarHBondContact O-OG1 2.88Å; E28-G74 PolarHBondContact O-N 3.37Å |
| 29 | H | 96.8 | Very high | 96 | Very high | 102 Ų | 102 | 55 Ų | 55 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -101.2 | 4.7 | 177.6 | -64.6 | -53.1 | 0 | 0 | 0 | 113 | A25 N26 R27 | A25-H29 HydrophobicContact CB-CB 4.04Å; N26-H29 CarbonylContact O-C 3.47Å; N26-H29 WeakPolarHBondContact O-CA 3.34Å; N26-H29 PolarHBondContact O-N 2.96Å; R27-H29 PolarHBondContact O-N 3.32Å |
| 30 | C | 98.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -91.3 | 167.4 | 170.6 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | N26 R27 G74 L349 I350 | N26-C30 PolarHBondContact O-N 3.04Å; N26-C30 PolarHBondContact O-SG 2.92Å; N26-C30 VanDerWaalsContact O-SG 3.33Å; R27-C30 WeakPolarHBondContact O-CB 3.48Å; R27-C30 PolarHBondContact O-N 3.3Å; C30-G74 WeakPolarHBondContact O-CA 3.49Å; C30-G74 PolarHBondContact O-N 3.46Å; C30-L349 HydrophobicContact CB-CD1 3.56Å; C30-I350 WeakPolarHBondContact CB-O 3.47Å |
| 31 | F | 98.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.7 | 174.6 | -53.1 | -101.1 | 0 | 0 | 0 | 109.2 | I34 L53 I68 L70 Q72 T73 Y341 L349 I350 P352 | F31-I34 HydrophobicContact CB-CD1 4.47Å; F31-I34 HydrophobicContact CB-CG1 4.32Å; F31-L53 HydrophobicContact CB-CD2 4.41Å; F31-L53 HydrophobicContact CD1-CD2 4.03Å; F31-L53 HydrophobicContact CD2-CD2 3.5Å; F31-L53 VanDerWaalsContact CD2-CD2 3.5Å; F31-L53 HydrophobicContact CE1-CD2 4.15Å; F31-L53 HydrophobicContact CE2-CD2 3.68Å; F31-L53 HydrophobicContact CG-CD2 3.7Å; F31-L53 HydrophobicContact CZ-CD2 4Å; F31-I68 HydrophobicContact CD1-CD1 4.37Å; F31-I68 HydrophobicContact CD1-CG2 3.94Å; F31-I68 HydrophobicContact CE1-CG2 3.88Å; F31-L70 HydrophobicContact CZ-CD2 4.46Å; F31-Q72 WeakPolarHBondContact CD1-O 3.24Å; F31-Q72 VanDerWaalsContact CE1-O 3.25Å; F31-Q72 WeakPolarHBondContact CE1-O 3.28Å; F31-T73 HydrophobicContact CE1-CG2 4.18Å; F31-T73 HydrophobicContact CE2-CG2 4.31Å; F31-T73 HydrophobicContact CZ-CG2 3.85Å; F31-Y341 HydrophobicContact CE2-CD1 4.32Å; F31-Y341 AromaticContact CE2-CE1 3.91Å; F31-Y341 HydrophobicContact CE2-CE1 3.91Å; F31-L349 WeakPolarHBondContact O-CA 3.44Å; F31-L349 WeakPolarHBondContact O-CD1 3.25Å; F31-I350 HydrophobicContact CB-CB 4.03Å; F31-I350 HydrophobicContact CB-CG1 4.17Å; F31-I350 HydrophobicContact CD2-CB 4.2Å; F31-I350 PolarHBondContact N-O 3.29Å; F31-I350 PolarHBondContact O-N 3.19Å; F31-P352 HydrophobicContact CE2-CG 4.4Å |
| 32 | D | 97.3 | Very high | 94.9 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 154.4 | -170.2 | -168.5 | 32.2 | 0 | 0 | 0 | 112.2 | R27 G74 I76 L349 | R27-D32 IonicContact CZ-OD1 3.92Å; R27-D32 IonicContact CZ-OD2 2.84Å; R27-D32 IonicContact NH1-OD1 2.67Å; R27-D32 IonicContact NH2-OD1 3.55Å; R27-D32 PolarHBondContact NH2-OD1 3.49Å; R27-D32 IonicContact NH2-OD2 3.51Å; R27-D32 PolarHBondContact NH2-OD2 3.41Å; D32-G74 PolarHBondContact N-O 2.98Å; D32-I76 WeakPolarHBondContact O-CB 3.5Å; D32-I76 PolarHBondContact O-N 3.15Å; D32-L349 HydrophobicContact CB-CD1 4.41Å |
| 33 | G | 96.4 | Very high | 94.7 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 76.7 | 18.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P35 G348 | G33-P35 WeakPolarHBondContact O-CD 3.47Å; G33-G348 PolarHBondContact N-O 3.22Å; G33-G348 VanDerWaalsContact N-O 3.11Å |
| 34 | I | 96.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | trans | -79.4 | 123.9 | -179.6 | -53.6 | -58.2 | 0 | 0 | 0 | 110.7 | F31 I36 I55 T57 L66 I68 I76 G348 I350 | F31-I34 HydrophobicContact CB-CD1 4.47Å; F31-I34 HydrophobicContact CB-CG1 4.32Å; I34-I36 HydrophobicContact CB-CG1 4.1Å; I34-I36 HydrophobicContact CG2-CG1 3.72Å; I34-I36 PolarHBondContact O-N 3.4Å; I34-I55 HydrophobicContact CG2-CB 4.43Å; I34-I55 HydrophobicContact CG2-CG2 4.19Å; I34-T57 HydrophobicContact CG2-CG2 4.44Å; I34-L66 HydrophobicContact CD1-CD1 4.02Å; I34-L66 HydrophobicContact CG2-CD1 3.98Å; I34-I68 HydrophobicContact CD1-CD1 3.66Å; I34-I76 HydrophobicContact CD1-CB 3.76Å; I34-I76 HydrophobicContact CD1-CG1 3.59Å; I34-I76 HydrophobicContact CD1-CG2 4.08Å; I34-G348 PolarHBondContact N-O 3.1Å; I34-G348 WeakPolarHBondContact O-CA 3.14Å; I34-I350 HydrophobicContact CG1-CG1 3.99Å | ||
| 35 | P | 95.4 | Very high | 94.5 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | trans | -79 | 66.2 | 175.1 | 32.5 | -33.9 | 0 | 0 | 0 | 111.1 | G33 T57 E58 | G33-P35 WeakPolarHBondContact O-CD 3.47Å; P35-T57 HydrophobicContact CG-CG2 3.94Å; P35-T57 CarbonylContact O-C 3.52Å; P35-T57 WeakPolarHBondContact O-CA 3.49Å; P35-T57 VanDerWaalsContact O-CB 3.22Å; P35-T57 WeakPolarHBondContact O-CB 3.24Å; P35-T57 WeakPolarHBondContact O-CG2 3.28Å; P35-E58 PolarHBondContact O-N 3.06Å | ||
| 36 | I | 96.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -56.3 | 135.7 | -177.5 | -59.6 | 166.6 | 0 | 0 | 0 | 110.4 | I34 I55 L343 I350 | I34-I36 HydrophobicContact CB-CG1 4.1Å; I34-I36 HydrophobicContact CG2-CG1 3.72Å; I34-I36 PolarHBondContact O-N 3.4Å; I36-I55 HydrophobicContact CG1-CG2 4.35Å; I36-L343 HydrophobicContact CD1-CB 4.17Å; I36-L343 HydrophobicContact CD1-CG 4.23Å; I36-L343 HydrophobicContact CG2-CB 4.43Å; I36-L343 HydrophobicContact CG2-CD2 3.95Å; I36-L343 HydrophobicContact CG2-CG 4.3Å; I36-I350 HydrophobicContact CD1-CD1 3.68Å; I36-I350 HydrophobicContact CG1-CD1 4.05Å |
| 37 | T | 94.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | trans | -55.9 | 140 | 179.2 | -172.1 | 0 | 0 | 0 | 0 | 113.4 | N39 F45 V56 E58 | T37-N39 HydrophobicContact CG2-CB 4.3Å; T37-N39 VanDerWaalsContact OG1-CB 3.25Å; T37-N39 WeakPolarHBondContact OG1-CB 3.17Å; T37-N39 PolarHBondContact OG1-N 2.84Å; T37-N39 VanDerWaalsContact OG1-N 3.09Å; T37-F45 HydrophobicContact CG2-CB 4.03Å; T37-F45 HydrophobicContact CG2-CD1 3.86Å; T37-F45 HydrophobicContact CG2-CD2 3.73Å; T37-F45 HydrophobicContact CG2-CE1 4.19Å; T37-F45 HydrophobicContact CG2-CE2 4.06Å; T37-F45 HydrophobicContact CG2-CG 3.61Å; T37-F45 HydrophobicContact CG2-CZ 4.27Å; T37-V56 HydrophobicContact CG2-CB 4Å; T37-V56 HydrophobicContact CG2-CG1 3.84Å; T37-V56 PolarHBondContact N-O 3.14Å; T37-E58 WeakPolarHBondContact CA-OE1 3.41Å; T37-E58 PolarHBondContact OG1-OE1 3.49Å; T37-E58 VanDerWaalsContact OG1-OE1 3.12Å | ||
| 38 | K | 90.9 | Very high | 94.8 | Very high | 144 Ų | 144 | 38.5 Ų | 38.5 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | trans | -90.1 | -5.4 | 172.1 | -63.2 | 179.5 | -175.2 | 173.5 | 0 | 111.9 | V40 E58 K320 | K38-V40 PolarHBondContact O-N 2.98Å; K38-E58 HydrophobicContact CG-CG 4.16Å; K38-E58 PolarHBondContact N-OE1 3.18Å; K38-K320 PolarHBondContact O-NZ 2.95Å | ||
| 39 | N | 89.3 | Confident | 94.9 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | trans | -46.4 | 133.6 | -179.4 | -167.6 | -34.2 | 0 | 0 | 0 | 111.5 | T37 H41 F45 L91 K320 | T37-N39 HydrophobicContact CG2-CB 4.3Å; T37-N39 VanDerWaalsContact OG1-CB 3.25Å; T37-N39 WeakPolarHBondContact OG1-CB 3.17Å; T37-N39 PolarHBondContact OG1-N 2.84Å; T37-N39 VanDerWaalsContact OG1-N 3.09Å; N39-H41 VanDerWaalsContact C-N 3.29Å; N39-H41 VanDerWaalsContact OD1-CB 3.3Å; N39-H41 WeakPolarHBondContact OD1-CB 3.42Å; N39-H41 PolarHBondContact OD1-N 3.02Å; N39-F45 HydrophobicContact CB-CZ 4.01Å; N39-F45 WeakPolarHBondContact O-CE2 3.43Å; N39-L91 WeakPolarHBondContact ND2-CD2 3.25Å; N39-K320 WeakPolarHBondContact O-CE 3.31Å; N39-K320 PolarHBondContact O-NZ 2.9Å | ||
| 40 | V | 87.3 | Confident | 94.8 | Very high | 121 Ų | 121 | 30 Ų | 30 | 73% | 0.733 | 17% | 0.173 | S | C | * | . | trans | -80.5 | -11.2 | -176.9 | -64.2 | 0 | 0 | 0 | 0 | 112.9 | K38 K290 | K38-V40 PolarHBondContact O-N 2.98Å; V40-K290 PolarHBondContact O-NZ 3.48Å | ||
| 41 | H | 89.8 | Confident | 94.6 | Very high | 29 Ų | 29 | 32 Ų | 32 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -51.3 | 141.4 | 177.6 | -166.3 | 61.3 | 0 | 0 | 0 | 110.8 | N39 N43 F45 L91 G141 Y158 K290 | N39-H41 VanDerWaalsContact C-N 3.29Å; N39-H41 VanDerWaalsContact OD1-CB 3.3Å; N39-H41 WeakPolarHBondContact OD1-CB 3.42Å; N39-H41 PolarHBondContact OD1-N 3.02Å; H41-N43 PolarHBondContact CD2-ND2 2.72Å; H41-N43 VanDerWaalsContact CD2-ND2 3.3Å; H41-N43 PolarHBondContact NE2-ND2 3.46Å; H41-N43 PolarHBondContact O-N 2.84Å; H41-F45 HydrophobicContact CB-CE1 4.39Å; H41-F45 HydrophobicContact CB-CZ 3.93Å; H41-F45 VanDerWaalsContact O-CE2 3.28Å; H41-F45 WeakPolarHBondContact O-CE2 3.02Å; H41-F45 WeakPolarHBondContact O-CZ 3.29Å; H41-L91 HydrophobicContact CB-CD2 4.15Å; H41-G141 PolarHBondContact NE2-O 2.96Å; H41-G141 VanDerWaalsContact NE2-O 3.1Å; H41-Y158 PolarHBondContact CE1-OH 3.12Å; H41-Y158 PolarHBondContact ND1-OH 3.18Å; H41-K290 PolarHBondContact O-NZ 3.35Å |
| 42 | D | 89.1 | Confident | 94.5 | Very high | 67 Ų | 67 | 32 Ų | 32 | 36% | 0.358 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -91.4 | 88.3 | -176.7 | -69.5 | -39 | 0 | 0 | 0 | 107.3 | R227 L273 K290 | D42-R227 PolarHBondContact O-NH1 3.03Å; D42-R227 PolarHBondContact O-NH2 2.9Å; D42-L273 HydrophobicContact CB-CD1 3.79Å; D42-K290 IonicContact OD1-NZ 3.18Å; D42-K290 PolarHBondContact OD1-NZ 3.3Å |
| 43 | N | 93.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -146.5 | 174.3 | 168.5 | -88.9 | -20.9 | 0 | 0 | 0 | 109.3 | H41 F45 L91 D92 G141 L142 | H41-N43 PolarHBondContact CD2-ND2 2.72Å; H41-N43 VanDerWaalsContact CD2-ND2 3.3Å; H41-N43 PolarHBondContact NE2-ND2 3.46Å; H41-N43 PolarHBondContact O-N 2.84Å; N43-F45 VanDerWaalsContact C-N 3.34Å; N43-F45 HydrophobicContact CB-CD1 4.48Å; N43-F45 HydrophobicContact CB-CE1 4.34Å; N43-L91 PolarHBondContact ND2-O 3.43Å; N43-D92 WeakPolarHBondContact ND2-CB 3.31Å; N43-G141 PolarHBondContact ND2-O 3.11Å; N43-L142 WeakPolarHBondContact OD1-CD2 3.49Å |
| 44 | H | 94.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 28.2 Ų | 28.2 | 17% | 0.171 | 15% | 0.151 | C | C | . | . | trans | -73.1 | -27.1 | -176.7 | -61.7 | -69.9 | 0 | 0 | 0 | 113.3 | C46 F275 F277 G321 L322 | H44-C46 PolarHBondContact O-N 3.27Å; H44-F275 AromaticContact CE1-CD1 3.29Å; H44-F275 WeakPolarHBondContact CE1-CD1 3.41Å; H44-F275 AromaticContact CE1-CE1 3.77Å; H44-F275 AromaticContact CE1-CG 3.83Å; H44-F275 AromaticContact ND1-CD1 3.79Å; H44-F275 AromaticContact ND1-CE1 3.9Å; H44-F275 AromaticContact NE2-CD1 3.98Å; H44-F277 AromaticContact CE1-CE1 3.37Å; H44-F277 WeakPolarHBondContact CE1-CE1 3.48Å; H44-F277 AromaticContact CE1-CZ 3.33Å; H44-F277 WeakPolarHBondContact CE1-CZ 3.41Å; H44-F277 AromaticContact ND1-CE1 3.74Å; H44-F277 AromaticContact ND1-CZ 3.54Å; H44-G321 WeakPolarHBondContact O-CA 3.15Å; H44-L322 WeakPolarHBondContact CB-O 3.43Å; H44-L322 PolarHBondContact ND1-O 2.88Å | ||
| 45 | F | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 54.1 | 16.3 | -175 | -58.7 | -49.2 | 0 | 0 | 0 | 114.7 | T37 N39 H41 N43 I55 V56 K320 L343 | T37-F45 HydrophobicContact CG2-CB 4.03Å; T37-F45 HydrophobicContact CG2-CD1 3.86Å; T37-F45 HydrophobicContact CG2-CD2 3.73Å; T37-F45 HydrophobicContact CG2-CE1 4.19Å; T37-F45 HydrophobicContact CG2-CE2 4.06Å; T37-F45 HydrophobicContact CG2-CG 3.61Å; T37-F45 HydrophobicContact CG2-CZ 4.27Å; N39-F45 HydrophobicContact CB-CZ 4.01Å; N39-F45 WeakPolarHBondContact O-CE2 3.43Å; H41-F45 HydrophobicContact CB-CE1 4.39Å; H41-F45 HydrophobicContact CB-CZ 3.93Å; H41-F45 VanDerWaalsContact O-CE2 3.28Å; H41-F45 WeakPolarHBondContact O-CE2 3.02Å; H41-F45 WeakPolarHBondContact O-CZ 3.29Å; N43-F45 VanDerWaalsContact C-N 3.34Å; N43-F45 HydrophobicContact CB-CD1 4.48Å; N43-F45 HydrophobicContact CB-CE1 4.34Å; F45-I55 WeakPolarHBondContact O-CA 3.45Å; F45-V56 HydrophobicContact CB-CB 4.09Å; F45-V56 HydrophobicContact CB-CG2 4.31Å; F45-V56 HydrophobicContact CD1-CB 4.16Å; F45-V56 HydrophobicContact CD1-CG1 4.45Å; F45-V56 HydrophobicContact CD1-CG2 4.18Å; F45-V56 HydrophobicContact CG-CB 4.49Å; F45-V56 PolarHBondContact O-N 3.01Å; F45-K320 HydrophobicContact CD2-CG 4.33Å; F45-L343 HydrophobicContact CB-CD2 4.06Å | ||
| 46 | C | 97.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 129.6 | -173.8 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | H44 L53 A54 G323 L343 | H44-C46 PolarHBondContact O-N 3.27Å; C46-L53 VanDerWaalsContact SG-CD1 3.55Å; C46-A54 VanDerWaalsContact CA-O 3.31Å; C46-A54 WeakPolarHBondContact CA-O 3.43Å; C46-G323 VanDerWaalsContact SG-CA 3.54Å; C46-L343 HydrophobicContact CB-CD1 3.42Å; C46-L343 VanDerWaalsContact CB-CD1 3.42Å; C46-L343 HydrophobicContact CB-CD2 3.95Å; C46-L343 HydrophobicContact CB-CG 4.34Å; C46-L343 VanDerWaalsContact SG-CD1 3.54Å |
| 47 | A | 98.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 8% | 0.083 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 136.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109 | A54 I93 W95 | A47-A54 PolarHBondContact N-O 3.31Å; A47-A54 PolarHBondContact O-N 3.47Å; A47-I93 HydrophobicContact CB-CD1 4.3Å; A47-I93 HydrophobicContact CB-CG1 4.1Å; A47-I93 WeakPolarHBondContact CB-O 3.18Å; A47-W95 VanDerWaalsContact C-CD1 3.49Å; A47-W95 VanDerWaalsContact C-NE1 3.33Å; A47-W95 PolarHBondContact O-NE1 3.42Å |
| 48 | V | 98.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.055 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.3 | -176.5 | -164.3 | 0 | 0 | 0 | 0 | 108.8 | F52 L53 L70 W95 M325 P326 Y341 | V48-F52 WeakPolarHBondContact CA-O 3.37Å; V48-L53 HydrophobicContact CG2-CD1 3.55Å; V48-L70 HydrophobicContact CG1-CD2 4.02Å; V48-W95 VanDerWaalsContact C-CD1 3.43Å; V48-M325 HydrophobicContact CG1-CE 3.66Å; V48-M325 HydrophobicContact CG1-SD 4.27Å; V48-P326 WeakPolarHBondContact O-CD 3.48Å; V48-Y341 HydrophobicContact CB-CD2 4.28Å; V48-Y341 HydrophobicContact CB-CE2 4.42Å; V48-Y341 HydrophobicContact CG1-CD2 4.07Å; V48-Y341 HydrophobicContact CG1-CE1 4.46Å; V48-Y341 HydrophobicContact CG1-CE2 3.77Å; V48-Y341 HydrophobicContact CG2-CD1 4.38Å; V48-Y341 HydrophobicContact CG2-CD2 3.69Å; V48-Y341 HydrophobicContact CG2-CE2 4.26Å; V48-Y341 HydrophobicContact CG2-CG 3.78Å |
| 49 | N | 96.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | trans | -128.2 | -169.1 | 164.6 | 68.9 | 11.1 | 0 | 0 | 0 | 109.5 | R51 F52 L70 W95 D100 M325 | N49-R51 PolarHBondContact O-N 2.89Å; N49-R51 PolarHBondContact OD1-N 2.68Å; N49-F52 PolarHBondContact N-O 3.49Å; N49-F52 VanDerWaalsContact N-O 3.1Å; N49-F52 PolarHBondContact OD1-N 2.93Å; N49-F52 PolarHBondContact OD1-O 3.27Å; N49-L70 WeakPolarHBondContact O-CD1 3.31Å; N49-W95 HydrophobicContact CB-CB 4.18Å; N49-W95 HydrophobicContact CB-CD2 4.43Å; N49-W95 HydrophobicContact CB-CG 3.97Å; N49-D100 WeakPolarHBondContact ND2-CA 3.37Å; N49-D100 PolarHBondContact ND2-O 2.91Å; N49-M325 VanDerWaalsContact O-SD 3.42Å | ||
| 50 | A | 93.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -66.2 | -5.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y401 | A50-Y401 HydrophobicContact CB-CD1 3.93Å; A50-Y401 HydrophobicContact CB-CE1 3.7Å |
| 51 | R | 94 | Very high | 93.3 | Very high | 45 Ų | 45 | 26.1 Ų | 26.1 | 17% | 0.17 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -128.1 | -36.7 | -171 | -62.5 | -174 | 64 | -178.1 | 1.7 | 114.3 | N49 P69 L70 D100 N101 E119 | N49-R51 PolarHBondContact O-N 2.89Å; N49-R51 PolarHBondContact OD1-N 2.68Å; R51-P69 WeakPolarHBondContact O-CA 3.2Å; R51-L70 PolarHBondContact O-N 3.49Å; R51-D100 WeakPolarHBondContact CD-OD2 3.34Å; R51-D100 HydrophobicContact CG-CB 4.24Å; R51-N101 PolarHBondContact NH1-OD1 3.23Å; R51-E119 IonicContact CZ-OE1 3.28Å; R51-E119 IonicContact NH1-OE1 2.76Å; R51-E119 PolarHBondContact NH1-OE1 2.91Å; R51-E119 VanDerWaalsContact NH2-CD 3.31Å; R51-E119 PolarHBondContact NH2-O 3.49Å; R51-E119 IonicContact NH2-OE1 3.54Å; R51-E119 PolarHBondContact NH2-OE1 3.01Å |
| 52 | F | 97.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 144.8 | -169.7 | -57.1 | -71.3 | 0 | 0 | 0 | 111.8 | V48 N49 V67 I68 P69 W95 N101 I117 P118 | V48-F52 WeakPolarHBondContact CA-O 3.37Å; N49-F52 PolarHBondContact N-O 3.49Å; N49-F52 VanDerWaalsContact N-O 3.1Å; N49-F52 PolarHBondContact OD1-N 2.93Å; N49-F52 PolarHBondContact OD1-O 3.27Å; F52-V67 HydrophobicContact CB-CG1 3.86Å; F52-V67 HydrophobicContact CD1-CG1 4.01Å; F52-V67 HydrophobicContact CG-CG1 4.02Å; F52-I68 WeakPolarHBondContact CA-O 3.26Å; F52-P69 HydrophobicContact CD1-CB 4.43Å; F52-P69 HydrophobicContact CD1-CG 4.32Å; F52-P69 HydrophobicContact CE1-CB 4.48Å; F52-P69 HydrophobicContact CE1-CG 4.19Å; F52-W95 HydrophobicContact CB-CH2 3.57Å; F52-W95 HydrophobicContact CB-CZ2 3.35Å; F52-W95 AromaticContact CD2-CH2 3.82Å; F52-W95 HydrophobicContact CD2-CH2 3.82Å; F52-W95 HydrophobicContact CD2-CZ2 4.41Å; F52-W95 HydrophobicContact CD2-CZ3 4.17Å; F52-W95 AromaticContact CG-CH2 3.93Å; F52-W95 HydrophobicContact CG-CH2 3.93Å; F52-W95 HydrophobicContact CG-CZ2 4.22Å; F52-N101 WeakPolarHBondContact CE2-OD1 3.45Å; F52-I117 HydrophobicContact CD1-CG2 4.36Å; F52-I117 HydrophobicContact CE1-CG2 4.07Å; F52-I117 HydrophobicContact CE2-CG2 4.3Å; F52-I117 HydrophobicContact CZ-CG2 4.04Å; F52-P118 WeakPolarHBondContact CZ-O 3.35Å |
| 53 | L | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.2 | 165.5 | 168.6 | 64.9 | 0 | 0 | 0 | 108.1 | F31 C46 V48 I55 V67 I68 L70 Y341 I350 | F31-L53 HydrophobicContact CB-CD2 4.41Å; F31-L53 HydrophobicContact CD1-CD2 4.03Å; F31-L53 HydrophobicContact CD2-CD2 3.5Å; F31-L53 VanDerWaalsContact CD2-CD2 3.5Å; F31-L53 HydrophobicContact CE1-CD2 4.15Å; F31-L53 HydrophobicContact CE2-CD2 3.68Å; F31-L53 HydrophobicContact CG-CD2 3.7Å; F31-L53 HydrophobicContact CZ-CD2 4Å; C46-L53 VanDerWaalsContact SG-CD1 3.55Å; V48-L53 HydrophobicContact CG2-CD1 3.55Å; L53-I55 HydrophobicContact CD1-CD1 4.21Å; L53-I55 HydrophobicContact CD1-CG1 4.14Å; L53-I55 HydrophobicContact CD2-CD1 3.85Å; L53-I55 HydrophobicContact CD2-CG1 4.41Å; L53-I55 HydrophobicContact CG-CD1 3.56Å; L53-I55 HydrophobicContact CG-CG1 4.05Å; L53-V67 CarbonylContact O-C 3.53Å; L53-V67 WeakPolarHBondContact O-CA 3.32Å; L53-I68 PolarHBondContact N-O 3.35Å; L53-I68 PolarHBondContact O-N 3Å; L53-L70 HydrophobicContact CB-CD2 3.94Å; L53-Y341 HydrophobicContact CD1-CD1 3.87Å; L53-Y341 HydrophobicContact CD1-CG 4.22Å; L53-Y341 HydrophobicContact CD2-CD1 4.07Å; L53-Y341 HydrophobicContact CD2-CE1 4.46Å; L53-Y341 HydrophobicContact CG-CD1 4.47Å; L53-I350 HydrophobicContact CD1-CG2 4.46Å; L53-I350 HydrophobicContact CD2-CB 4.3Å; L53-I350 HydrophobicContact CD2-CG1 4.35Å; L53-I350 HydrophobicContact CD2-CG2 3.99Å |
| 54 | A | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | C46 A47 F65 L66 V67 I93 W95 I103 | C46-A54 VanDerWaalsContact CA-O 3.31Å; C46-A54 WeakPolarHBondContact CA-O 3.43Å; A47-A54 PolarHBondContact N-O 3.31Å; A47-A54 PolarHBondContact O-N 3.47Å; A54-F65 HydrophobicContact CB-CD2 4.44Å; A54-L66 CarbonylContact C-O 3.51Å; A54-L66 WeakPolarHBondContact CA-O 3.45Å; A54-V67 HydrophobicContact CB-CG2 4.16Å; A54-I93 HydrophobicContact CB-CD1 3.8Å; A54-W95 HydrophobicContact CB-CZ2 3.77Å; A54-I103 HydrophobicContact CB-CD1 3.54Å |
| 55 | I | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 128.4 | -176.9 | -46.3 | 94.7 | 0 | 0 | 0 | 110.4 | I34 I36 F45 L53 T57 F65 L66 I68 L343 I350 | I34-I55 HydrophobicContact CG2-CB 4.43Å; I34-I55 HydrophobicContact CG2-CG2 4.19Å; I36-I55 HydrophobicContact CG1-CG2 4.35Å; F45-I55 WeakPolarHBondContact O-CA 3.45Å; L53-I55 HydrophobicContact CD1-CD1 4.21Å; L53-I55 HydrophobicContact CD1-CG1 4.14Å; L53-I55 HydrophobicContact CD2-CD1 3.85Å; L53-I55 HydrophobicContact CD2-CG1 4.41Å; L53-I55 HydrophobicContact CG-CD1 3.56Å; L53-I55 HydrophobicContact CG-CG1 4.05Å; I55-T57 PolarHBondContact O-N 3.05Å; I55-F65 CarbonylContact O-C 3.6Å; I55-F65 WeakPolarHBondContact O-CA 3.34Å; I55-F65 VanDerWaalsContact O-CB 3.24Å; I55-F65 WeakPolarHBondContact O-CB 3.48Å; I55-L66 HydrophobicContact CD1-CB 4.37Å; I55-L66 PolarHBondContact N-O 2.92Å; I55-L66 PolarHBondContact O-N 3.39Å; I55-I68 HydrophobicContact CD1-CD1 3.85Å; I55-L343 HydrophobicContact CG2-CD2 4.1Å; I55-L343 HydrophobicContact CG2-CG 4.43Å; I55-I350 HydrophobicContact CG1-CD1 4.06Å; I55-I350 HydrophobicContact CG1-CG1 4.23Å; I55-I350 HydrophobicContact CG2-CD1 4.2Å |
| 56 | V | 98.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 128 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | T37 F45 F65 V90 I93 | T37-V56 HydrophobicContact CG2-CB 4Å; T37-V56 HydrophobicContact CG2-CG1 3.84Å; T37-V56 PolarHBondContact N-O 3.14Å; F45-V56 HydrophobicContact CB-CB 4.09Å; F45-V56 HydrophobicContact CB-CG2 4.31Å; F45-V56 HydrophobicContact CD1-CB 4.16Å; F45-V56 HydrophobicContact CD1-CG1 4.45Å; F45-V56 HydrophobicContact CD1-CG2 4.18Å; F45-V56 HydrophobicContact CG-CB 4.49Å; F45-V56 PolarHBondContact O-N 3.01Å; V56-F65 HydrophobicContact CG2-CB 4.47Å; V56-V90 HydrophobicContact CG1-CB 4.02Å; V56-V90 HydrophobicContact CG1-CG1 4.41Å; V56-V90 HydrophobicContact CG2-CB 4.48Å; V56-V90 HydrophobicContact CG2-CG1 3.99Å; V56-I93 HydrophobicContact CG2-CD1 3.82Å; V56-I93 HydrophobicContact CG2-CG1 3.93Å; V56-I93 HydrophobicContact CG2-CG2 4.13Å |
| 57 | T | 95.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 155.6 | -174.1 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | I34 P35 I55 S59 S64 L66 | I34-T57 HydrophobicContact CG2-CG2 4.44Å; P35-T57 HydrophobicContact CG-CG2 3.94Å; P35-T57 CarbonylContact O-C 3.52Å; P35-T57 WeakPolarHBondContact O-CA 3.49Å; P35-T57 VanDerWaalsContact O-CB 3.22Å; P35-T57 WeakPolarHBondContact O-CB 3.24Å; P35-T57 WeakPolarHBondContact O-CG2 3.28Å; I55-T57 PolarHBondContact O-N 3.05Å; T57-S59 PolarHBondContact O-N 3.35Å; T57-S64 PolarHBondContact N-O 3.28Å; T57-S64 PolarHBondContact OG1-O 2.95Å; T57-S64 PolarHBondContact OG1-OG 3.13Å; T57-S64 VanDerWaalsContact OG1-OG 3.06Å; T57-L66 HydrophobicContact CG2-CB 4.32Å; T57-L66 HydrophobicContact CG2-CD1 3.6Å; T57-L66 HydrophobicContact CG2-CG 3.68Å |
| 58 | E | 89.1 | Confident | 93.8 | Very high | 74 Ų | 74 | 20.3 Ų | 20.3 | 35% | 0.346 | 15% | 0.147 | S | C | . | . | trans | -59.3 | 135.6 | 164.9 | -70.9 | -68.1 | 94.7 | 0 | 0 | 110.3 | P35 T37 K38 | P35-E58 PolarHBondContact O-N 3.06Å; T37-E58 WeakPolarHBondContact CA-OE1 3.41Å; T37-E58 PolarHBondContact OG1-OE1 3.49Å; T37-E58 VanDerWaalsContact OG1-OE1 3.12Å; K38-E58 HydrophobicContact CG-CG 4.16Å; K38-E58 PolarHBondContact N-OE1 3.18Å | ||
| 59 | S | 85.6 | Confident | 93.7 | Very high | 49 Ų | 49 | 21 Ų | 21 | 34% | 0.343 | 15% | 0.152 | S | C | . | . | trans | -131.7 | 139.4 | 171.9 | -165.9 | 0 | 0 | 0 | 0 | 109.3 | T57 G61 | T57-S59 PolarHBondContact O-N 3.35Å; S59-G61 VanDerWaalsContact C-N 3.26Å; S59-G61 PolarHBondContact O-N 2.85Å; S59-G61 PolarHBondContact OG-O 3.12Å | ||
| 60 | A | 76.5 | Confident | 93.7 | Very high | 121 Ų | 121 | 22.3 Ų | 22.3 | 100% | 1 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -75 | -16.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 61 | G | 77.3 | Confident | 93.7 | Very high | 57 Ų | 57 | 30.3 Ų | 30.3 | 59% | 0.588 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -152.8 | 135.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S59 | S59-G61 VanDerWaalsContact C-N 3.26Å; S59-G61 PolarHBondContact O-N 2.85Å; S59-G61 PolarHBondContact OG-O 3.12Å |
| 62 | G | 88.5 | Confident | 93.8 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 26% | 0.258 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 66.5 | -157.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H86 | G62-H86 WeakPolarHBondContact CA-O 3.44Š|
| 63 | G | 93.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 142.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H86 G88 | G63-H86 PolarHBondContact N-O 2.81Å; G63-G88 WeakPolarHBondContact CA-O 3.46Å; G63-G88 PolarHBondContact N-O 2.85Å; G63-G88 VanDerWaalsContact N-O 3.13Å |
| 64 | S | 96.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 159.4 | 176.8 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | T57 V83 | T57-S64 PolarHBondContact N-O 3.28Å; T57-S64 PolarHBondContact OG1-O 2.95Å; T57-S64 PolarHBondContact OG1-OG 3.13Å; T57-S64 VanDerWaalsContact OG1-OG 3.06Å; S64-V83 WeakPolarHBondContact CA-O 3.37Å; S64-V83 WeakPolarHBondContact CB-O 3.41Å |
| 65 | F | 98.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 149.5 | 169.2 | 62.7 | -87.3 | 0 | 0 | 0 | 110.5 | A54 I55 V56 V67 K82 V83 V90 I93 I103 W115 | A54-F65 HydrophobicContact CB-CD2 4.44Å; I55-F65 CarbonylContact O-C 3.6Å; I55-F65 WeakPolarHBondContact O-CA 3.34Å; I55-F65 VanDerWaalsContact O-CB 3.24Å; I55-F65 WeakPolarHBondContact O-CB 3.48Å; V56-F65 HydrophobicContact CG2-CB 4.47Å; F65-V67 HydrophobicContact CD2-CG2 3.73Å; F65-V67 HydrophobicContact CE2-CG2 3.55Å; F65-K82 WeakPolarHBondContact O-CB 3.4Å; F65-V83 HydrophobicContact CD1-CB 3.99Å; F65-V83 HydrophobicContact CD1-CG1 4.29Å; F65-V83 HydrophobicContact CD2-CB 4.15Å; F65-V83 HydrophobicContact CD2-CG2 4.16Å; F65-V83 HydrophobicContact CE1-CB 3.6Å; F65-V83 HydrophobicContact CE1-CG1 3.49Å; F65-V83 VanDerWaalsContact CE1-CG1 3.49Å; F65-V83 HydrophobicContact CE1-CG2 4.29Å; F65-V83 HydrophobicContact CE2-CB 3.77Å; F65-V83 HydrophobicContact CE2-CG1 4.27Å; F65-V83 HydrophobicContact CE2-CG2 3.57Å; F65-V83 HydrophobicContact CG-CB 4.26Å; F65-V83 HydrophobicContact CZ-CB 3.48Å; F65-V83 VanDerWaalsContact CZ-CB 3.48Å; F65-V83 HydrophobicContact CZ-CG1 3.49Å; F65-V83 VanDerWaalsContact CZ-CG1 3.49Å; F65-V83 HydrophobicContact CZ-CG2 3.65Å; F65-V83 PolarHBondContact N-O 3.36Å; F65-V83 VanDerWaalsContact N-O 3.12Å; F65-V83 PolarHBondContact O-N 2.72Å; F65-V90 HydrophobicContact CD1-CG1 4.47Å; F65-V90 HydrophobicContact CD1-CG2 4.33Å; F65-I93 HydrophobicContact CD1-CG2 4.09Å; F65-I93 HydrophobicContact CE1-CG2 4.36Å; F65-I93 HydrophobicContact CG-CG2 4.16Å; F65-I103 HydrophobicContact CE2-CD1 3.98Å; F65-I103 HydrophobicContact CE2-CG2 4.08Å; F65-I103 HydrophobicContact CZ-CG2 4.1Å; F65-W115 AromaticContact CE1-NE1 3.91Å; F65-W115 AromaticContact CZ-CD1 3.79Å; F65-W115 HydrophobicContact CZ-CG 4.22Å; F65-W115 AromaticContact CZ-NE1 3.94Å |
| 66 | L | 97.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 150.8 | 172 | -73.6 | 169.2 | 0 | 0 | 0 | 110.2 | I34 A54 I55 T57 I68 Y80 K82 | I34-L66 HydrophobicContact CD1-CD1 4.02Å; I34-L66 HydrophobicContact CG2-CD1 3.98Å; A54-L66 CarbonylContact C-O 3.51Å; A54-L66 WeakPolarHBondContact CA-O 3.45Å; I55-L66 HydrophobicContact CD1-CB 4.37Å; I55-L66 PolarHBondContact N-O 2.92Å; I55-L66 PolarHBondContact O-N 3.39Å; T57-L66 HydrophobicContact CG2-CB 4.32Å; T57-L66 HydrophobicContact CG2-CD1 3.6Å; T57-L66 HydrophobicContact CG2-CG 3.68Å; L66-I68 HydrophobicContact CB-CD1 4.47Å; L66-I68 HydrophobicContact CB-CG1 4.42Å; L66-Y80 HydrophobicContact CD2-CD1 3.62Å; L66-Y80 HydrophobicContact CD2-CE1 4.5Å; L66-Y80 HydrophobicContact CD2-CG 4.32Å; L66-K82 HydrophobicContact CD2-CB 4.16Å; L66-K82 HydrophobicContact CD2-CD 4.1Å; L66-K82 HydrophobicContact CD2-CG 3.65Å; L66-K82 HydrophobicContact CG-CD 4.48Å; L66-K82 HydrophobicContact CG-CG 4.43Å |
| 67 | V | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 115.1 | 167.3 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | F52 L53 A54 F65 V83 W95 I117 L122 | F52-V67 HydrophobicContact CB-CG1 3.86Å; F52-V67 HydrophobicContact CD1-CG1 4.01Å; F52-V67 HydrophobicContact CG-CG1 4.02Å; L53-V67 CarbonylContact O-C 3.53Å; L53-V67 WeakPolarHBondContact O-CA 3.32Å; A54-V67 HydrophobicContact CB-CG2 4.16Å; F65-V67 HydrophobicContact CD2-CG2 3.73Å; F65-V67 HydrophobicContact CE2-CG2 3.55Å; V67-V83 HydrophobicContact CG2-CG2 4.16Å; V67-W95 HydrophobicContact CG1-CH2 3.68Å; V67-W95 HydrophobicContact CG1-CZ2 3.9Å; V67-I117 HydrophobicContact CB-CD1 4.45Å; V67-I117 HydrophobicContact CB-CG2 4.47Å; V67-I117 HydrophobicContact CG1-CB 4.49Å; V67-I117 HydrophobicContact CG1-CD1 4.46Å; V67-I117 HydrophobicContact CG1-CG1 4.13Å; V67-I117 HydrophobicContact CG1-CG2 3.7Å; V67-I117 HydrophobicContact CG2-CD1 3.96Å; V67-I117 HydrophobicContact CG2-CG1 4.34Å; V67-L122 HydrophobicContact CB-CD1 4.49Å |
| 68 | I | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.3 | -172.3 | -55.5 | 161.8 | 0 | 0 | 0 | 108.2 | F31 I34 F52 L53 I55 L66 Q72 I76 Y80 | F31-I68 HydrophobicContact CD1-CD1 4.37Å; F31-I68 HydrophobicContact CD1-CG2 3.94Å; F31-I68 HydrophobicContact CE1-CG2 3.88Å; I34-I68 HydrophobicContact CD1-CD1 3.66Å; F52-I68 WeakPolarHBondContact CA-O 3.26Å; L53-I68 PolarHBondContact N-O 3.35Å; L53-I68 PolarHBondContact O-N 3Å; I55-I68 HydrophobicContact CD1-CD1 3.85Å; L66-I68 HydrophobicContact CB-CD1 4.47Å; L66-I68 HydrophobicContact CB-CG1 4.42Å; I68-Q72 HydrophobicContact CG2-CB 4.05Å; I68-I76 HydrophobicContact CD1-CD1 4.37Å; I68-I76 HydrophobicContact CD1-CG1 4.03Å; I68-I76 HydrophobicContact CG2-CD1 4.13Å; I68-Y80 HydrophobicContact CG1-CE1 4Å |
| 69 | P | 97.3 | Very high | 93.3 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 137.2 | 169.4 | -23 | 33.8 | 0 | 0 | 0 | 111.1 | R51 F52 E71 Q72 Y80 | R51-P69 WeakPolarHBondContact O-CA 3.2Å; F52-P69 HydrophobicContact CD1-CB 4.43Å; F52-P69 HydrophobicContact CD1-CG 4.32Å; F52-P69 HydrophobicContact CE1-CB 4.48Å; F52-P69 HydrophobicContact CE1-CG 4.19Å; P69-E71 PolarHBondContact O-N 2.81Å; P69-E71 VanDerWaalsContact O-N 3.15Å; P69-Q72 HydrophobicContact CB-CB 4.5Å; P69-Q72 WeakPolarHBondContact O-CB 3.28Å; P69-Q72 PolarHBondContact O-N 2.92Å; P69-Y80 VanDerWaalsContact CD-OH 3.31Å; P69-Y80 WeakPolarHBondContact CD-OH 3.48Å |
| 70 | L | 96.1 | Very high | 93.8 | Very high | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28 | -175.2 | -72.3 | 178.1 | 0 | 0 | 0 | 114.2 | F31 V48 N49 R51 L53 Q72 T73 M325 Y341 | F31-L70 HydrophobicContact CZ-CD2 4.46Å; V48-L70 HydrophobicContact CG1-CD2 4.02Å; N49-L70 WeakPolarHBondContact O-CD1 3.31Å; R51-L70 PolarHBondContact O-N 3.49Å; L53-L70 HydrophobicContact CB-CD2 3.94Å; L70-Q72 PolarHBondContact O-N 3.42Å; L70-T73 WeakPolarHBondContact O-CG2 3.34Å; L70-M325 HydrophobicContact CD1-CE 3.52Å; L70-M325 HydrophobicContact CD2-CE 4.43Å; L70-Y341 HydrophobicContact CD2-CE1 3.94Å; L70-Y341 WeakPolarHBondContact CD2-OH 3.21Å |
| 71 | E | 94.6 | Very high | 94.7 | Very high | 191 Ų | 191 | 52.2 Ų | 52.2 | 89% | 0.893 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19.4 | 176.7 | -62.6 | 174.7 | -172.9 | 0 | 0 | 112.4 | P69 T73 | P69-E71 PolarHBondContact O-N 2.81Å; P69-E71 VanDerWaalsContact O-N 3.15Å; E71-T73 VanDerWaalsContact C-N 3.3Å; E71-T73 PolarHBondContact O-N 3.19Å; E71-T73 VanDerWaalsContact O-N 3.08Å |
| 72 | Q | 95.6 | Very high | 95.6 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | trans | -87.5 | 67 | -179.7 | -167.1 | 177.4 | 5.1 | 0 | 0 | 111.2 | F31 I68 P69 L70 I76 Y80 | F31-Q72 WeakPolarHBondContact CD1-O 3.24Å; F31-Q72 VanDerWaalsContact CE1-O 3.25Å; F31-Q72 WeakPolarHBondContact CE1-O 3.28Å; I68-Q72 HydrophobicContact CG2-CB 4.05Å; P69-Q72 HydrophobicContact CB-CB 4.5Å; P69-Q72 WeakPolarHBondContact O-CB 3.28Å; P69-Q72 PolarHBondContact O-N 2.92Å; L70-Q72 PolarHBondContact O-N 3.42Å; Q72-I76 HydrophobicContact CG-CD1 4.46Å; Q72-Y80 PolarHBondContact OE1-OH 3.29Å | ||
| 73 | T | 97.3 | Very high | 96 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | trans | -84.3 | 169.7 | 175.4 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | E28 F31 L70 E71 | E28-T73 WeakPolarHBondContact O-CB 3.16Å; E28-T73 PolarHBondContact O-OG1 2.88Å; F31-T73 HydrophobicContact CE1-CG2 4.18Å; F31-T73 HydrophobicContact CE2-CG2 4.31Å; F31-T73 HydrophobicContact CZ-CG2 3.85Å; L70-T73 WeakPolarHBondContact O-CG2 3.34Å; E71-T73 VanDerWaalsContact C-N 3.3Å; E71-T73 PolarHBondContact O-N 3.19Å; E71-T73 VanDerWaalsContact O-N 3.08Å | ||
| 74 | G | 96.9 | Very high | 96 | Very high | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.1 | -150.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E28 C30 D32 I76 | E28-G74 PolarHBondContact O-N 3.37Å; C30-G74 WeakPolarHBondContact O-CA 3.49Å; C30-G74 PolarHBondContact O-N 3.46Å; D32-G74 PolarHBondContact N-O 2.98Å; G74-I76 PolarHBondContact O-N 3.49Å |
| 75 | R | 96.9 | Very high | 95.6 | Very high | 187 Ų | 187 | 52.1 Ų | 52.1 | 71% | 0.706 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 123.1 | -177.9 | -174.3 | 175.5 | -178.1 | 177 | -0.6 | 110.6 | ||
| 76 | I | 96.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -89.6 | 132.8 | 172.9 | -56.4 | -51.9 | 0 | 0 | 0 | 109.1 | D32 I34 I68 Q72 G74 Y80 | D32-I76 WeakPolarHBondContact O-CB 3.5Å; D32-I76 PolarHBondContact O-N 3.15Å; I34-I76 HydrophobicContact CD1-CB 3.76Å; I34-I76 HydrophobicContact CD1-CG1 3.59Å; I34-I76 HydrophobicContact CD1-CG2 4.08Å; I68-I76 HydrophobicContact CD1-CD1 4.37Å; I68-I76 HydrophobicContact CD1-CG1 4.03Å; I68-I76 HydrophobicContact CG2-CD1 4.13Å; Q72-I76 HydrophobicContact CG-CD1 4.46Å; G74-I76 PolarHBondContact O-N 3.49Å; I76-Y80 HydrophobicContact CG2-CD1 4.45Å; I76-Y80 HydrophobicContact CG2-CD2 3.66Å; I76-Y80 HydrophobicContact CG2-CE2 4.41Å; I76-Y80 HydrophobicContact CG2-CG 3.66Å |
| 77 | E | 94.3 | Very high | 95.4 | Very high | 126 Ų | 126 | 59 Ų | 59 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 142.2 | -178.5 | -70.2 | -59.9 | 150.5 | 0 | 0 | 111.6 | N79 Y80 | E77-N79 PolarHBondContact O-N 3.41Å; E77-N79 VanDerWaalsContact O-N 3.09Å; E77-Y80 VanDerWaalsContact O-CB 3.27Å; E77-Y80 WeakPolarHBondContact O-CB 3.42Å; E77-Y80 PolarHBondContact O-N 3.32Å |
| 78 | P | 91.4 | Very high | 95.2 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 58% | 0.584 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30.9 | -179.1 | -27.7 | 35.5 | 0 | 0 | 0 | 114.6 | Y80 | P78-Y80 VanDerWaalsContact C-N 3.33Š|
| 79 | N | 92.1 | Very high | 95.1 | Very high | 156 Ų | 156 | 62.4 Ų | 62.4 | 83% | 0.834 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 18 | 180 | -64.5 | -24 | 0 | 0 | 0 | 113 | E77 | E77-N79 PolarHBondContact O-N 3.41Å; E77-N79 VanDerWaalsContact O-N 3.09Å |
| 80 | Y | 95.5 | Very high | 95.1 | Very high | 21 Ų | 21 | 61.4 Ų | 61.4 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | trans | -55.3 | 133.1 | 179 | -164.2 | -86.6 | 0 | 0 | 0 | 110.9 | L66 I68 P69 Q72 I76 E77 P78 K82 | L66-Y80 HydrophobicContact CD2-CD1 3.62Å; L66-Y80 HydrophobicContact CD2-CE1 4.5Å; L66-Y80 HydrophobicContact CD2-CG 4.32Å; I68-Y80 HydrophobicContact CG1-CE1 4Å; P69-Y80 VanDerWaalsContact CD-OH 3.31Å; P69-Y80 WeakPolarHBondContact CD-OH 3.48Å; Q72-Y80 PolarHBondContact OE1-OH 3.29Å; I76-Y80 HydrophobicContact CG2-CD1 4.45Å; I76-Y80 HydrophobicContact CG2-CD2 3.66Å; I76-Y80 HydrophobicContact CG2-CE2 4.41Å; I76-Y80 HydrophobicContact CG2-CG 3.66Å; E77-Y80 VanDerWaalsContact O-CB 3.27Å; E77-Y80 WeakPolarHBondContact O-CB 3.42Å; E77-Y80 PolarHBondContact O-N 3.32Å; P78-Y80 VanDerWaalsContact C-N 3.33Å; Y80-K82 VanDerWaalsContact O-CG 3.28Å; Y80-K82 WeakPolarHBondContact O-CG 3.22Å | ||
| 81 | P | 96.1 | Very high | 95.2 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 14% | 0.143 | 30% | 0.304 | C | S | . | . | trans | -55.9 | 137.9 | -179.7 | -30.8 | 38.9 | 0 | 0 | 0 | 113.7 | L122 N125 | P81-L122 HydrophobicContact CB-CB 3.64Å; P81-N125 WeakPolarHBondContact CA-OD1 3.34Å | ||
| 82 | K | 95.8 | Very high | 95.4 | Very high | 41 Ų | 41 | 51 Ų | 51 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 165.7 | -179.3 | -24.6 | -175.3 | 173 | 172.4 | 0 | 112.1 | F65 L66 Y80 C84 N125 M126 | F65-K82 WeakPolarHBondContact O-CB 3.4Å; L66-K82 HydrophobicContact CD2-CB 4.16Å; L66-K82 HydrophobicContact CD2-CD 4.1Å; L66-K82 HydrophobicContact CD2-CG 3.65Å; L66-K82 HydrophobicContact CG-CD 4.48Å; L66-K82 HydrophobicContact CG-CG 4.43Å; Y80-K82 VanDerWaalsContact O-CG 3.28Å; Y80-K82 WeakPolarHBondContact O-CG 3.22Å; K82-C84 VanDerWaalsContact C-SG 3.6Å; K82-C84 PolarHBondContact O-SG 2.77Å; K82-N125 PolarHBondContact N-OD1 3.28Å; K82-N125 CarbonylContact O-C 3.51Å; K82-N125 VanDerWaalsContact O-CA 3.25Å; K82-N125 WeakPolarHBondContact O-CA 3.37Å; K82-M126 PolarHBondContact O-N 3.21Å |
| 83 | V | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 119.6 | 165.6 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | S64 F65 V67 W115 I117 L122 M126 | S64-V83 WeakPolarHBondContact CA-O 3.37Å; S64-V83 WeakPolarHBondContact CB-O 3.41Å; F65-V83 HydrophobicContact CD1-CB 3.99Å; F65-V83 HydrophobicContact CD1-CG1 4.29Å; F65-V83 HydrophobicContact CD2-CB 4.15Å; F65-V83 HydrophobicContact CD2-CG2 4.16Å; F65-V83 HydrophobicContact CE1-CB 3.6Å; F65-V83 HydrophobicContact CE1-CG1 3.49Å; F65-V83 VanDerWaalsContact CE1-CG1 3.49Å; F65-V83 HydrophobicContact CE1-CG2 4.29Å; F65-V83 HydrophobicContact CE2-CB 3.77Å; F65-V83 HydrophobicContact CE2-CG1 4.27Å; F65-V83 HydrophobicContact CE2-CG2 3.57Å; F65-V83 HydrophobicContact CG-CB 4.26Å; F65-V83 HydrophobicContact CZ-CB 3.48Å; F65-V83 VanDerWaalsContact CZ-CB 3.48Å; F65-V83 HydrophobicContact CZ-CG1 3.49Å; F65-V83 VanDerWaalsContact CZ-CG1 3.49Å; F65-V83 HydrophobicContact CZ-CG2 3.65Å; F65-V83 PolarHBondContact N-O 3.36Å; F65-V83 VanDerWaalsContact N-O 3.12Å; F65-V83 PolarHBondContact O-N 2.72Å; V67-V83 HydrophobicContact CG2-CG2 4.16Å; V83-W115 HydrophobicContact CG1-CD2 3.39Å; V83-W115 HydrophobicContact CG1-CE3 3.42Å; V83-W115 VanDerWaalsContact CG1-CE3 3.42Å; V83-W115 HydrophobicContact CG1-CG 4.03Å; V83-W115 HydrophobicContact CG1-CH2 3.75Å; V83-W115 HydrophobicContact CG1-CZ2 3.72Å; V83-W115 HydrophobicContact CG1-CZ3 3.59Å; V83-I117 HydrophobicContact CG2-CD1 4.15Å; V83-L122 HydrophobicContact CG2-CD1 3.8Å; V83-M126 CarbonylContact C-O 3.52Å; V83-M126 WeakPolarHBondContact CA-O 3.47Å; V83-M126 HydrophobicContact CG2-CB 4.45Å; V83-M126 HydrophobicContact CG2-SD 4.34Å |
| 84 | C | 92.6 | Very high | 95.6 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 32.4 | -162.9 | -48.3 | 0 | 0 | 0 | 0 | 114.7 | K82 M126 T127 | K82-C84 VanDerWaalsContact C-SG 3.6Å; K82-C84 PolarHBondContact O-SG 2.77Å; C84-M126 PolarHBondContact N-O 3.4Å; C84-T127 HydrophobicContact CB-CG2 4.33Å |
| 85 | G | 89.3 | Confident | 95.7 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -18.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q87 R113 T127 | G85-Q87 PolarHBondContact O-NE2 3.11Å; G85-Q87 VanDerWaalsContact O-NE2 3.14Å; G85-R113 PolarHBondContact O-NH1 3.06Å; G85-T127 VanDerWaalsContact CA-O 3.24Å; G85-T127 WeakPolarHBondContact CA-O 3.44Å |
| 86 | H | 96 | Very high | 95.7 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 142.8 | -177.6 | -82 | -67.6 | 0 | 0 | 0 | 112.3 | G62 G63 V90 S105 S107 D109 S111 | G62-H86 WeakPolarHBondContact CA-O 3.44Å; G63-H86 PolarHBondContact N-O 2.81Å; H86-V90 HydrophobicContact CB-CG2 4.31Å; H86-S105 PolarHBondContact CD2-OG 3.39Å; H86-S105 PolarHBondContact NE2-OG 3.08Å; H86-S107 WeakPolarHBondContact ND1-CB 3.25Å; H86-D109 VanDerWaalsContact CA-OD2 3.31Å; H86-D109 WeakPolarHBondContact CA-OD2 3.08Å; H86-D109 WeakPolarHBondContact CB-OD2 3.37Å; H86-D109 IonicContact CE1-OD1 2.94Å; H86-D109 IonicContact CG-OD2 2.78Å; H86-D109 IonicContact ND1-OD1 2.82Å; H86-D109 PolarHBondContact ND1-OD1 2.99Å; H86-D109 IonicContact ND1-OD2 3.2Å; H86-D109 PolarHBondContact ND1-OD2 3.02Å; H86-S111 PolarHBondContact CE1-OG 2.96Å; H86-S111 VanDerWaalsContact CE1-OG 3.29Å; H86-S111 PolarHBondContact ND1-OG 3.45Å |
| 87 | Q | 94.2 | Very high | 95.7 | Very high | 145 Ų | 145 | 40.1 Ų | 40.1 | 68% | 0.678 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -91.1 | -2.9 | -179.7 | -57.4 | -55.2 | -52.5 | 0 | 0 | 113.3 | G85 D109 | G85-Q87 PolarHBondContact O-NE2 3.11Å; G85-Q87 VanDerWaalsContact O-NE2 3.14Å; Q87-D109 HydrophobicContact CB-CB 4.03Å; Q87-D109 PolarHBondContact N-OD2 3.17Å |
| 88 | G | 94.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -143.1 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G63 V90 S107 | G63-G88 WeakPolarHBondContact CA-O 3.46Å; G63-G88 PolarHBondContact N-O 2.85Å; G63-G88 VanDerWaalsContact N-O 3.13Å; G88-V90 PolarHBondContact O-N 2.96Å; G88-S107 VanDerWaalsContact C-OG 3.23Å; G88-S107 PolarHBondContact O-OG 2.75Å |
| 89 | N | 96.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 30.9 Ų | 30.9 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | trans | -54.7 | 138.9 | -176.1 | -66.9 | -50.6 | 0 | 0 | 0 | 111.6 | L91 S107 E108 | N89-L91 HydrophobicContact CB-CD2 4.48Å; N89-S107 CarbonylContact O-C 3.57Å; N89-S107 VanDerWaalsContact O-CA 3.24Å; N89-S107 WeakPolarHBondContact O-CA 3.39Å; N89-S107 WeakPolarHBondContact O-CB 3.34Å; N89-S107 PolarHBondContact O-OG 3.34Å; N89-S107 VanDerWaalsContact O-OG 3.09Å; N89-E108 HydrophobicContact CB-CG 4.18Å; N89-E108 WeakPolarHBondContact CB-OE2 3.44Å; N89-E108 PolarHBondContact ND2-OE2 3.07Å; N89-E108 PolarHBondContact O-N 3.35Å | ||
| 90 | V | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 127.6 | 169.8 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | V56 F65 H86 G88 I93 C106 | V56-V90 HydrophobicContact CG1-CB 4.02Å; V56-V90 HydrophobicContact CG1-CG1 4.41Å; V56-V90 HydrophobicContact CG2-CB 4.48Å; V56-V90 HydrophobicContact CG2-CG1 3.99Å; F65-V90 HydrophobicContact CD1-CG1 4.47Å; F65-V90 HydrophobicContact CD1-CG2 4.33Å; H86-V90 HydrophobicContact CB-CG2 4.31Å; G88-V90 PolarHBondContact O-N 2.96Å; V90-I93 HydrophobicContact CG1-CG2 3.69Å; V90-C106 CarbonylContact C-O 3.54Å; V90-C106 WeakPolarHBondContact CA-O 3.35Å |
| 91 | L | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -26.2 | -175.1 | -63.1 | -175.7 | 0 | 0 | 0 | 112.7 | N39 H41 N43 N89 C106 E108 R139 V140 | N39-L91 WeakPolarHBondContact ND2-CD2 3.25Å; H41-L91 HydrophobicContact CB-CD2 4.15Å; N43-L91 PolarHBondContact ND2-O 3.43Å; N89-L91 HydrophobicContact CB-CD2 4.48Å; L91-C106 PolarHBondContact N-O 3.28Å; L91-E108 HydrophobicContact CD1-CG 3.8Å; L91-E108 HydrophobicContact CD2-CG 3.96Å; L91-E108 HydrophobicContact CG-CG 3.99Å; L91-R139 HydrophobicContact CD1-CB 4.28Å; L91-R139 HydrophobicContact CD1-CG 4.46Å; L91-V140 WeakPolarHBondContact CD1-O 3.35Å |
| 92 | D | 98.4 | Very high | 96 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 154 | 176.2 | -156.2 | 10.3 | 0 | 0 | 0 | 111.5 | N43 S105 C106 V143 | N43-D92 WeakPolarHBondContact ND2-CB 3.31Å; D92-S105 WeakPolarHBondContact O-CA 3.43Å; D92-C106 VanDerWaalsContact CB-SG 3.53Å; D92-C106 PolarHBondContact O-N 2.67Å; D92-V143 HydrophobicContact CB-CG2 4.05Å; D92-V143 PolarHBondContact OD2-N 3.37Å |
| 93 | I | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 137.2 | 177.8 | 52.1 | 172.4 | 0 | 0 | 0 | 110.2 | A47 A54 V56 F65 V90 I103 A104 | A47-I93 HydrophobicContact CB-CD1 4.3Å; A47-I93 HydrophobicContact CB-CG1 4.1Å; A47-I93 WeakPolarHBondContact CB-O 3.18Å; A54-I93 HydrophobicContact CB-CD1 3.8Å; V56-I93 HydrophobicContact CG2-CD1 3.82Å; V56-I93 HydrophobicContact CG2-CG1 3.93Å; V56-I93 HydrophobicContact CG2-CG2 4.13Å; F65-I93 HydrophobicContact CD1-CG2 4.09Å; F65-I93 HydrophobicContact CE1-CG2 4.36Å; F65-I93 HydrophobicContact CG-CG2 4.16Å; V90-I93 HydrophobicContact CG1-CG2 3.69Å; I93-I103 HydrophobicContact CB-CD1 4.17Å; I93-A104 CarbonylContact C-O 3.51Å; I93-A104 VanDerWaalsContact CA-O 3.28Å; I93-A104 WeakPolarHBondContact CA-O 3.41Å |
| 94 | K | 98.6 | Very high | 96.2 | Very high | 44 Ų | 44 | 21.2 Ų | 21.2 | 19% | 0.191 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 130.2 | 179.4 | -65 | -68.3 | -175.8 | 132.5 | 0 | 112 | I103 A104 V143 E144 W145 | K94-I103 WeakPolarHBondContact O-CG1 3.34Å; K94-A104 PolarHBondContact N-O 3.45Å; K94-A104 PolarHBondContact O-N 2.94Å; K94-V143 HydrophobicContact CB-CG2 4.43Å; K94-V143 HydrophobicContact CG-CG2 4.02Å; K94-V143 VanDerWaalsContact CG-O 3.31Å; K94-V143 WeakPolarHBondContact CG-O 3.17Å; K94-E144 WeakPolarHBondContact CE-OE1 3.42Å; K94-E144 IonicContact NZ-OE1 3.34Å; K94-E144 PolarHBondContact NZ-OE1 2.78Å; K94-E144 IonicContact NZ-OE2 2.75Å; K94-E144 PolarHBondContact NZ-OE2 2.8Å; K94-E144 VanDerWaalsContact NZ-OE2 3.09Å; K94-W145 PolarHBondContact O-NE1 3.35Å |
| 95 | W | 98.4 | Very high | 96.5 | Very high | 22 Ų | 22 | 19.4 Ų | 19.4 | 8% | 0.083 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 140.9 | 170.9 | -68.5 | 109.2 | 0 | 0 | 0 | 110.9 | A47 V48 N49 F52 A54 V67 D100 I103 I117 W145 | A47-W95 VanDerWaalsContact C-CD1 3.49Å; A47-W95 VanDerWaalsContact C-NE1 3.33Å; A47-W95 PolarHBondContact O-NE1 3.42Å; V48-W95 VanDerWaalsContact C-CD1 3.43Å; N49-W95 HydrophobicContact CB-CB 4.18Å; N49-W95 HydrophobicContact CB-CD2 4.43Å; N49-W95 HydrophobicContact CB-CG 3.97Å; F52-W95 HydrophobicContact CB-CH2 3.57Å; F52-W95 HydrophobicContact CB-CZ2 3.35Å; F52-W95 AromaticContact CD2-CH2 3.82Å; F52-W95 HydrophobicContact CD2-CH2 3.82Å; F52-W95 HydrophobicContact CD2-CZ2 4.41Å; F52-W95 HydrophobicContact CD2-CZ3 4.17Å; F52-W95 AromaticContact CG-CH2 3.93Å; F52-W95 HydrophobicContact CG-CH2 3.93Å; F52-W95 HydrophobicContact CG-CZ2 4.22Å; A54-W95 HydrophobicContact CB-CZ2 3.77Å; V67-W95 HydrophobicContact CG1-CH2 3.68Å; V67-W95 HydrophobicContact CG1-CZ2 3.9Å; W95-D100 VanDerWaalsContact CZ3-O 3.28Å; W95-D100 WeakPolarHBondContact CZ3-O 3.02Å; W95-I103 HydrophobicContact CD2-CB 4.12Å; W95-I103 HydrophobicContact CD2-CD1 4.05Å; W95-I103 HydrophobicContact CD2-CG1 4.15Å; W95-I103 HydrophobicContact CE3-CB 3.63Å; W95-I103 HydrophobicContact CE3-CD1 4.36Å; W95-I103 HydrophobicContact CE3-CG1 4.19Å; W95-I103 HydrophobicContact CH2-CB 4.23Å; W95-I103 HydrophobicContact CH2-CD1 4.26Å; W95-I103 HydrophobicContact CH2-CG2 4.47Å; W95-I103 HydrophobicContact CZ2-CD1 3.92Å; W95-I103 HydrophobicContact CZ3-CB 3.69Å; W95-I103 HydrophobicContact CZ3-CD1 4.46Å; W95-I103 HydrophobicContact CZ3-CG1 4.49Å; W95-I103 HydrophobicContact CZ3-CG2 4.19Å; W95-I117 HydrophobicContact CH2-CB 4.45Å; W95-I117 HydrophobicContact CH2-CG1 3.82Å; W95-I117 HydrophobicContact CZ3-CG1 3.96Å; W95-W145 PolarHBondContact O-NE1 2.95Å |
| 96 | N | 97.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | trans | -63.5 | 132.7 | 168.8 | -179.1 | -65.9 | 0 | 0 | 0 | 109.1 | F98 I99 I102 W145 | N96-F98 PolarHBondContact O-N 2.75Å; N96-F98 WeakPolarHBondContact OD1-CA 3.48Å; N96-F98 PolarHBondContact OD1-N 2.81Å; N96-I99 PolarHBondContact OD1-N 2.57Å; N96-I102 HydrophobicContact CB-CB 3.8Å; N96-I102 HydrophobicContact CB-CG2 3.96Å; N96-I102 WeakPolarHBondContact CB-O 3.24Å; N96-I102 PolarHBondContact N-O 3.31Å; N96-W145 HydrophobicContact CB-CD2 4.22Å; N96-W145 HydrophobicContact CB-CE3 4.46Å; N96-W145 HydrophobicContact CB-CH2 4.09Å; N96-W145 HydrophobicContact CB-CZ2 3.82Å; N96-W145 HydrophobicContact CB-CZ3 4.4Å; N96-W145 WeakPolarHBondContact ND2-CH2 3.31Å; N96-W145 WeakPolarHBondContact ND2-CZ3 3.38Å | ||
| 97 | P | 95.6 | Very high | 97 | Very high | 47 Ų | 47 | 19 Ų | 19 | 31% | 0.305 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -73.8 | -12.2 | -175.2 | 28 | -34.1 | 0 | 0 | 0 | 114.3 | W145 | P97-W145 HydrophobicContact CG-CB 4.09Š|
| 98 | F | 95.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 3% | 0.026 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -114.6 | -20.1 | -174.7 | -46.6 | -62.1 | 0 | 0 | 0 | 113.8 | N96 P147 T149 N150 T375 P377 S405 | N96-F98 PolarHBondContact O-N 2.75Å; N96-F98 WeakPolarHBondContact OD1-CA 3.48Å; N96-F98 PolarHBondContact OD1-N 2.81Å; F98-P147 WeakPolarHBondContact CZ-O 3.39Å; F98-T149 WeakPolarHBondContact CE2-O 3.47Å; F98-N150 HydrophobicContact CD2-CB 3.99Å; F98-N150 HydrophobicContact CE2-CB 4.39Å; F98-T375 WeakPolarHBondContact CA-O 3.07Å; F98-T375 WeakPolarHBondContact CB-O 3.48Å; F98-P377 HydrophobicContact CD1-CB 4.01Å; F98-P377 HydrophobicContact CD2-CB 4.18Å; F98-P377 HydrophobicContact CE1-CB 4Å; F98-P377 HydrophobicContact CE2-CB 4.16Å; F98-P377 HydrophobicContact CG-CB 4.1Å; F98-P377 HydrophobicContact CZ-CB 4.07Å; F98-S405 VanDerWaalsContact O-CB 3.28Å; F98-S405 WeakPolarHBondContact O-CB 2.92Å; F98-S405 PolarHBondContact O-OG 3.13Å |
| 99 | I | 94.8 | Very high | 97.2 | Very high | 15 Ų | 15 | 15.5 Ų | 15.5 | 8% | 0.077 | 8% | 0.079 | C | C | . | . | trans | -133.1 | 100.7 | -177.1 | -47.9 | 177.7 | 0 | 0 | 0 | 109.6 | N96 N101 I102 M407 F409 | N96-I99 PolarHBondContact OD1-N 2.57Å; I99-N101 PolarHBondContact O-N 3.17Å; I99-I102 HydrophobicContact CB-CB 4.35Å; I99-I102 HydrophobicContact CB-CG1 3.95Å; I99-I102 HydrophobicContact CG2-CB 4.47Å; I99-I102 HydrophobicContact CG2-CG1 3.66Å; I99-I102 PolarHBondContact O-N 3.37Å; I99-M407 HydrophobicContact CD1-CB 4.14Å; I99-M407 HydrophobicContact CG1-CB 4.09Å; I99-F409 HydrophobicContact CD1-CB 4.03Å | ||
| 100 | D | 93.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 13.7 Ų | 13.7 | 8% | 0.075 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.4 | -173.2 | -68.4 | -19.3 | 0 | 0 | 0 | 115.3 | N49 R51 W95 Y401 | N49-D100 WeakPolarHBondContact ND2-CA 3.37Å; N49-D100 PolarHBondContact ND2-O 2.91Å; R51-D100 WeakPolarHBondContact CD-OD2 3.34Å; R51-D100 HydrophobicContact CG-CB 4.24Å; W95-D100 VanDerWaalsContact CZ3-O 3.28Å; W95-D100 WeakPolarHBondContact CZ3-O 3.02Å; D100-Y401 PolarHBondContact OD2-OH 2.76Å |
| 101 | N | 95.6 | Very high | 97.1 | Very high | 25 Ų | 25 | 13.6 Ų | 13.6 | 13% | 0.134 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -5.6 | -178.6 | -73.2 | 11.1 | 0 | 0 | 0 | 112.7 | R51 F52 I99 E116 I117 | R51-N101 PolarHBondContact NH1-OD1 3.23Å; F52-N101 WeakPolarHBondContact CE2-OD1 3.45Å; I99-N101 PolarHBondContact O-N 3.17Å; N101-E116 CarbonylContact O-C 3.59Å; N101-E116 WeakPolarHBondContact O-CA 3.12Å; N101-I117 VanDerWaalsContact CB-O 3.31Å; N101-I117 WeakPolarHBondContact CB-O 3.45Å; N101-I117 VanDerWaalsContact CG-O 3.23Å; N101-I117 PolarHBondContact ND2-O 3.23Å; N101-I117 PolarHBondContact O-N 2.95Å |
| 102 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.3 | -175.5 | -58.5 | -62.8 | 0 | 0 | 0 | 110.6 | N96 I99 I114 W115 E116 L130 W145 F409 | N96-I102 HydrophobicContact CB-CB 3.8Å; N96-I102 HydrophobicContact CB-CG2 3.96Å; N96-I102 WeakPolarHBondContact CB-O 3.24Å; N96-I102 PolarHBondContact N-O 3.31Å; I99-I102 HydrophobicContact CB-CB 4.35Å; I99-I102 HydrophobicContact CB-CG1 3.95Å; I99-I102 HydrophobicContact CG2-CB 4.47Å; I99-I102 HydrophobicContact CG2-CG1 3.66Å; I99-I102 PolarHBondContact O-N 3.37Å; I102-I114 HydrophobicContact CG2-CG2 3.55Å; I102-W115 WeakPolarHBondContact CA-O 3.4Å; I102-E116 HydrophobicContact CD1-CB 3.72Å; I102-E116 HydrophobicContact CD1-CG 4.01Å; I102-L130 HydrophobicContact CD1-CD2 4.16Å; I102-W145 HydrophobicContact CG2-CH2 3.99Å; I102-W145 HydrophobicContact CG2-CZ2 4.11Å; I102-F409 HydrophobicContact CD1-CB 3.67Å; I102-F409 HydrophobicContact CD1-CG 4.14Å; I102-F409 HydrophobicContact CG1-CB 3.82Å; I102-F409 HydrophobicContact CG1-CG 4.4Å |
| 103 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.4 | 175.7 | -168 | 172.2 | 0 | 0 | 0 | 110.4 | A54 F65 I93 K94 W95 W115 I117 | A54-I103 HydrophobicContact CB-CD1 3.54Å; F65-I103 HydrophobicContact CE2-CD1 3.98Å; F65-I103 HydrophobicContact CE2-CG2 4.08Å; F65-I103 HydrophobicContact CZ-CG2 4.1Å; I93-I103 HydrophobicContact CB-CD1 4.17Å; K94-I103 WeakPolarHBondContact O-CG1 3.34Å; W95-I103 HydrophobicContact CD2-CB 4.12Å; W95-I103 HydrophobicContact CD2-CD1 4.05Å; W95-I103 HydrophobicContact CD2-CG1 4.15Å; W95-I103 HydrophobicContact CE3-CB 3.63Å; W95-I103 HydrophobicContact CE3-CD1 4.36Å; W95-I103 HydrophobicContact CE3-CG1 4.19Å; W95-I103 HydrophobicContact CH2-CB 4.23Å; W95-I103 HydrophobicContact CH2-CD1 4.26Å; W95-I103 HydrophobicContact CH2-CG2 4.47Å; W95-I103 HydrophobicContact CZ2-CD1 3.92Å; W95-I103 HydrophobicContact CZ3-CB 3.69Å; W95-I103 HydrophobicContact CZ3-CD1 4.46Å; W95-I103 HydrophobicContact CZ3-CG1 4.49Å; W95-I103 HydrophobicContact CZ3-CG2 4.19Å; I103-W115 HydrophobicContact CG2-CB 3.83Å; I103-W115 HydrophobicContact CG2-CG 4.33Å; I103-W115 PolarHBondContact N-O 3.41Å; I103-W115 PolarHBondContact O-N 3.3Å; I103-I117 HydrophobicContact CG2-CD1 4.18Å; I103-I117 HydrophobicContact CG2-CG1 4.09Å |
| 104 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 143.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I93 K94 R113 I114 W145 L153 | I93-A104 CarbonylContact C-O 3.51Å; I93-A104 VanDerWaalsContact CA-O 3.28Å; I93-A104 WeakPolarHBondContact CA-O 3.41Å; K94-A104 PolarHBondContact N-O 3.45Å; K94-A104 PolarHBondContact O-N 2.94Å; A104-R113 CarbonylContact C-O 3.53Å; A104-R113 WeakPolarHBondContact CA-O 3.26Å; A104-I114 HydrophobicContact CB-CD1 3.82Å; A104-W145 HydrophobicContact CB-CZ2 3.63Å; A104-L153 HydrophobicContact CB-CD1 4.15Å; A104-L153 HydrophobicContact CB-CD2 4.07Å |
| 105 | S | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 148.6 | 169.7 | 64.6 | 0 | 0 | 0 | 0 | 111.3 | H86 D92 V112 R113 W115 | H86-S105 PolarHBondContact CD2-OG 3.39Å; H86-S105 PolarHBondContact NE2-OG 3.08Å; D92-S105 WeakPolarHBondContact O-CA 3.43Å; S105-V112 CarbonylContact O-C 3.6Å; S105-V112 VanDerWaalsContact O-CA 3.31Å; S105-V112 WeakPolarHBondContact O-CA 3.39Å; S105-R113 PolarHBondContact N-O 3.23Å; S105-R113 PolarHBondContact O-N 2.96Å; S105-W115 PolarHBondContact OG-NE1 3.46Å |
| 106 | C | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.9 | 173.4 | 75 | 0 | 0 | 0 | 0 | 112 | V90 L91 D92 V112 V140 V143 | V90-C106 CarbonylContact C-O 3.54Å; V90-C106 WeakPolarHBondContact CA-O 3.35Å; L91-C106 PolarHBondContact N-O 3.28Å; D92-C106 VanDerWaalsContact CB-SG 3.53Å; D92-C106 PolarHBondContact O-N 2.67Å; C106-V112 HydrophobicContact CB-CG2 3.94Å; C106-V140 HydrophobicContact CB-CB 3.81Å; C106-V140 HydrophobicContact CB-CG1 3.58Å; C106-V140 PolarHBondContact SG-O 3.01Å; C106-V143 HydrophobicContact CB-CG1 3.61Å |
| 107 | S | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 162.8 | -164.8 | 172.7 | 0 | 0 | 0 | 0 | 114.7 | H86 G88 N89 D109 T110 S111 V140 | H86-S107 WeakPolarHBondContact ND1-CB 3.25Å; G88-S107 VanDerWaalsContact C-OG 3.23Å; G88-S107 PolarHBondContact O-OG 2.75Å; N89-S107 CarbonylContact O-C 3.57Å; N89-S107 VanDerWaalsContact O-CA 3.24Å; N89-S107 WeakPolarHBondContact O-CA 3.39Å; N89-S107 WeakPolarHBondContact O-CB 3.34Å; N89-S107 PolarHBondContact O-OG 3.34Å; N89-S107 VanDerWaalsContact O-OG 3.09Å; S107-D109 WeakPolarHBondContact CB-OD1 3.33Å; S107-D109 PolarHBondContact O-N 3.06Å; S107-D109 VanDerWaalsContact OG-CG 3.27Å; S107-D109 PolarHBondContact OG-N 3.13Å; S107-D109 PolarHBondContact OG-OD1 3.32Å; S107-T110 PolarHBondContact O-N 2.9Å; S107-S111 PolarHBondContact N-O 3.32Å; S107-V140 PolarHBondContact O-N 3.47Å |
| 108 | E | 96.7 | Very high | 97 | Very high | 66 Ų | 66 | 15.6 Ų | 15.6 | 31% | 0.308 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.4 | 164 | -68.1 | -171 | 141.2 | 0 | 0 | 114 | N89 L91 T110 R139 | N89-E108 HydrophobicContact CB-CG 4.18Å; N89-E108 WeakPolarHBondContact CB-OE2 3.44Å; N89-E108 PolarHBondContact ND2-OE2 3.07Å; N89-E108 PolarHBondContact O-N 3.35Å; L91-E108 HydrophobicContact CD1-CG 3.8Å; L91-E108 HydrophobicContact CD2-CG 3.96Å; L91-E108 HydrophobicContact CG-CG 3.99Å; E108-T110 PolarHBondContact O-N 2.92Å; E108-T110 VanDerWaalsContact O-N 3.1Å; E108-R139 HydrophobicContact CB-CB 4.35Å; E108-R139 HydrophobicContact CG-CB 4.35Å; E108-R139 IonicContact OE1-NH1 3.52Å; E108-R139 PolarHBondContact OE1-NH1 2.99Å |
| 109 | D | 95.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 20.8 Ų | 20.8 | 10% | 0.102 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 12.4 | 175.9 | 73.2 | 17.5 | 0 | 0 | 0 | 114.5 | H86 Q87 S107 S111 R433 | H86-D109 VanDerWaalsContact CA-OD2 3.31Å; H86-D109 WeakPolarHBondContact CA-OD2 3.08Å; H86-D109 WeakPolarHBondContact CB-OD2 3.37Å; H86-D109 IonicContact CE1-OD1 2.94Å; H86-D109 IonicContact CG-OD2 2.78Å; H86-D109 IonicContact ND1-OD1 2.82Å; H86-D109 PolarHBondContact ND1-OD1 2.99Å; H86-D109 IonicContact ND1-OD2 3.2Å; H86-D109 PolarHBondContact ND1-OD2 3.02Å; Q87-D109 HydrophobicContact CB-CB 4.03Å; Q87-D109 PolarHBondContact N-OD2 3.17Å; S107-D109 WeakPolarHBondContact CB-OD1 3.33Å; S107-D109 PolarHBondContact O-N 3.06Å; S107-D109 VanDerWaalsContact OG-CG 3.27Å; S107-D109 PolarHBondContact OG-N 3.13Å; S107-D109 PolarHBondContact OG-OD1 3.32Å; D109-S111 PolarHBondContact O-N 2.99Å; D109-S111 WeakPolarHBondContact OD1-CB 3.21Å; D109-S111 PolarHBondContact OD1-N 3.1Å; D109-S111 PolarHBondContact OD1-OG 3.41Å; D109-S111 PolarHBondContact OD2-OG 2.78Å; D109-R433 PolarHBondContact O-NH2 2.82Å |
| 110 | T | 96.7 | Very high | 96.4 | Very high | 18 Ų | 18 | 23.2 Ų | 23.2 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 69.1 | 1.5 | 178.7 | 73.8 | 0 | 0 | 0 | 0 | 115.8 | S107 E108 R138 V140 R433 | S107-T110 PolarHBondContact O-N 2.9Å; E108-T110 PolarHBondContact O-N 2.92Å; E108-T110 VanDerWaalsContact O-N 3.1Å; T110-R138 VanDerWaalsContact CG2-C 3.48Å; T110-V140 WeakPolarHBondContact O-CG2 3.48Å; T110-R433 PolarHBondContact OG1-NH2 3.2Å |
| 111 | S | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -101.2 | 154.2 | -179.8 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | H86 S107 D109 | H86-S111 PolarHBondContact CE1-OG 2.96Å; H86-S111 VanDerWaalsContact CE1-OG 3.29Å; H86-S111 PolarHBondContact ND1-OG 3.45Å; S107-S111 PolarHBondContact N-O 3.32Å; D109-S111 PolarHBondContact O-N 2.99Å; D109-S111 WeakPolarHBondContact OD1-CB 3.21Å; D109-S111 PolarHBondContact OD1-N 3.1Å; D109-S111 PolarHBondContact OD1-OG 3.41Å; D109-S111 PolarHBondContact OD2-OG 2.78Å | ||
| 112 | V | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.8 | 159.8 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | S105 C106 L133 V140 V143 L153 | S105-V112 CarbonylContact O-C 3.6Å; S105-V112 VanDerWaalsContact O-CA 3.31Å; S105-V112 WeakPolarHBondContact O-CA 3.39Å; C106-V112 HydrophobicContact CB-CG2 3.94Å; V112-L133 HydrophobicContact CB-CB 4.08Å; V112-L133 HydrophobicContact CB-CD1 4.24Å; V112-L133 HydrophobicContact CG1-CD1 4.05Å; V112-L133 PolarHBondContact N-O 3.46Å; V112-L133 WeakPolarHBondContact O-CB 3.45Å; V112-L133 PolarHBondContact O-N 2.98Å; V112-V140 HydrophobicContact CG2-CB 4.37Å; V112-V140 HydrophobicContact CG2-CG1 3.78Å; V112-V140 HydrophobicContact CG2-CG2 4.4Å; V112-V143 HydrophobicContact CG1-CG1 3.88Å; V112-V143 HydrophobicContact CG2-CG1 3.99Å; V112-L153 HydrophobicContact CG1-CD2 3.73Å |
| 113 | R | 98.3 | Very high | 96.2 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 6% | 0.057 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 141.4 | -178.5 | -68.7 | -174.5 | 172 | -157.9 | -3.3 | 111.1 | G85 A104 S105 W115 A129 L131 E132 | G85-R113 PolarHBondContact O-NH1 3.06Å; A104-R113 CarbonylContact C-O 3.53Å; A104-R113 WeakPolarHBondContact CA-O 3.26Å; S105-R113 PolarHBondContact N-O 3.23Å; S105-R113 PolarHBondContact O-N 2.96Å; R113-W115 HydrophobicContact CB-CZ2 3.66Å; R113-W115 VanDerWaalsContact CD-CZ2 3.49Å; R113-W115 HydrophobicContact CG-CZ2 4.22Å; R113-A129 HydrophobicContact CB-CB 3.88Å; R113-A129 HydrophobicContact CG-CB 4.12Å; R113-L131 WeakPolarHBondContact CA-O 3.4Å; R113-E132 HydrophobicContact CG-CB 4.49Å; R113-E132 HydrophobicContact CG-CG 4.13Å; R113-E132 VanDerWaalsContact CZ-CD 3.41Å; R113-E132 IonicContact CZ-OE1 3.82Å; R113-E132 IonicContact CZ-OE2 3.56Å; R113-E132 IonicContact NE-OE1 2.86Å; R113-E132 IonicContact NE-OE2 2.85Å; R113-E132 IonicContact NH1-OE1 3.93Å; R113-E132 IonicContact NH2-OE1 3.09Å; R113-E132 PolarHBondContact NH2-OE1 3.17Å; R113-E132 VanDerWaalsContact NH2-OE1 3.1Å; R113-E132 IonicContact NH2-OE2 3.52Å; R113-E132 PolarHBondContact NH2-OE2 2.79Å |
| 114 | I | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132 | 176.3 | -48.2 | -57.2 | 0 | 0 | 0 | 108.4 | I102 A104 L130 L131 L133 W145 L153 L167 F409 | I102-I114 HydrophobicContact CG2-CG2 3.55Å; A104-I114 HydrophobicContact CB-CD1 3.82Å; I114-L130 WeakPolarHBondContact O-CB 3.47Å; I114-L130 PolarHBondContact O-N 2.96Å; I114-L131 HydrophobicContact CB-CB 4.01Å; I114-L131 HydrophobicContact CG1-CB 4.03Å; I114-L131 HydrophobicContact CG1-CD2 4.41Å; I114-L131 PolarHBondContact N-O 2.85Å; I114-L131 PolarHBondContact O-N 3.5Å; I114-L133 HydrophobicContact CD1-CD1 4.36Å; I114-L133 HydrophobicContact CG1-CD1 4.44Å; I114-W145 HydrophobicContact CD1-CH2 4.09Å; I114-W145 HydrophobicContact CD1-CZ2 4.31Å; I114-L153 HydrophobicContact CD1-CD2 3.86Å; I114-L167 HydrophobicContact CD1-CD1 4.05Å; I114-L167 HydrophobicContact CD1-CD2 4.49Å; I114-L167 HydrophobicContact CG1-CD1 4.17Å; I114-L167 HydrophobicContact CG1-CD2 4.43Å; I114-F409 HydrophobicContact CG2-CZ 4.4Å |
| 115 | W | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.4 | -176.6 | -46.5 | 87 | 0 | 0 | 0 | 109.8 | F65 V83 I102 I103 S105 R113 I117 M126 E128 A129 | F65-W115 AromaticContact CE1-NE1 3.91Å; F65-W115 AromaticContact CZ-CD1 3.79Å; F65-W115 HydrophobicContact CZ-CG 4.22Å; F65-W115 AromaticContact CZ-NE1 3.94Å; V83-W115 HydrophobicContact CG1-CD2 3.39Å; V83-W115 HydrophobicContact CG1-CE3 3.42Å; V83-W115 VanDerWaalsContact CG1-CE3 3.42Å; V83-W115 HydrophobicContact CG1-CG 4.03Å; V83-W115 HydrophobicContact CG1-CH2 3.75Å; V83-W115 HydrophobicContact CG1-CZ2 3.72Å; V83-W115 HydrophobicContact CG1-CZ3 3.59Å; I102-W115 WeakPolarHBondContact CA-O 3.4Å; I103-W115 HydrophobicContact CG2-CB 3.83Å; I103-W115 HydrophobicContact CG2-CG 4.33Å; I103-W115 PolarHBondContact N-O 3.41Å; I103-W115 PolarHBondContact O-N 3.3Å; S105-W115 PolarHBondContact OG-NE1 3.46Å; R113-W115 HydrophobicContact CB-CZ2 3.66Å; R113-W115 VanDerWaalsContact CD-CZ2 3.49Å; R113-W115 HydrophobicContact CG-CZ2 4.22Å; W115-I117 HydrophobicContact CB-CD1 4.35Å; W115-M126 HydrophobicContact CB-SD 4.21Å; W115-M126 HydrophobicContact CE3-CG 3.93Å; W115-M126 HydrophobicContact CE3-SD 3.74Å; W115-M126 HydrophobicContact CZ3-CG 4.15Å; W115-E128 VanDerWaalsContact CZ3-C 3.44Å; W115-E128 WeakPolarHBondContact CZ3-O 3.17Å; W115-A129 HydrophobicContact CD2-CB 4.09Å; W115-A129 HydrophobicContact CE3-CB 3.86Å; W115-A129 HydrophobicContact CH2-CB 3.85Å; W115-A129 HydrophobicContact CZ2-CB 4.08Å; W115-A129 HydrophobicContact CZ3-CB 3.75Å |
| 116 | E | 96.9 | Very high | 95.8 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 39% | 0.393 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.7 | 169.2 | 179.4 | 175.9 | -160.1 | 0 | 0 | 109.8 | N101 I102 M126 L130 | N101-E116 CarbonylContact O-C 3.59Å; N101-E116 WeakPolarHBondContact O-CA 3.12Å; I102-E116 HydrophobicContact CD1-CB 3.72Å; I102-E116 HydrophobicContact CD1-CG 4.01Å; E116-M126 WeakPolarHBondContact O-CE 3.35Å; E116-L130 HydrophobicContact CB-CD2 3.96Å |
| 117 | I | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -87.3 | 127.3 | -179.8 | -53.7 | -53.7 | 0 | 0 | 0 | 108.8 | F52 V67 V83 W95 N101 I103 W115 M126 | F52-I117 HydrophobicContact CD1-CG2 4.36Å; F52-I117 HydrophobicContact CE1-CG2 4.07Å; F52-I117 HydrophobicContact CE2-CG2 4.3Å; F52-I117 HydrophobicContact CZ-CG2 4.04Å; V67-I117 HydrophobicContact CB-CD1 4.45Å; V67-I117 HydrophobicContact CB-CG2 4.47Å; V67-I117 HydrophobicContact CG1-CB 4.49Å; V67-I117 HydrophobicContact CG1-CD1 4.46Å; V67-I117 HydrophobicContact CG1-CG1 4.13Å; V67-I117 HydrophobicContact CG1-CG2 3.7Å; V67-I117 HydrophobicContact CG2-CD1 3.96Å; V67-I117 HydrophobicContact CG2-CG1 4.34Å; V83-I117 HydrophobicContact CG2-CD1 4.15Å; W95-I117 HydrophobicContact CH2-CB 4.45Å; W95-I117 HydrophobicContact CH2-CG1 3.82Å; W95-I117 HydrophobicContact CZ3-CG1 3.96Å; N101-I117 VanDerWaalsContact CB-O 3.31Å; N101-I117 WeakPolarHBondContact CB-O 3.45Å; N101-I117 VanDerWaalsContact CG-O 3.23Å; N101-I117 PolarHBondContact ND2-O 3.23Å; N101-I117 PolarHBondContact O-N 2.95Å; I103-I117 HydrophobicContact CG2-CD1 4.18Å; I103-I117 HydrophobicContact CG2-CG1 4.09Å; W115-I117 HydrophobicContact CB-CD1 4.35Å; I117-M126 HydrophobicContact CD1-CE 4.45Å; I117-M126 HydrophobicContact CD1-SD 4.33Å | ||
| 118 | P | 94.8 | Very high | 95.3 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 41% | 0.409 | 29% | 0.292 | S | S | . | . | trans | -59.4 | 146.6 | 175 | -21.6 | 32.2 | 0 | 0 | 0 | 111.8 | F52 G120 G121 | F52-P118 WeakPolarHBondContact CZ-O 3.35Å; P118-G120 PolarHBondContact O-N 3.45Å; P118-G120 VanDerWaalsContact O-N 3.09Å; P118-G121 WeakPolarHBondContact O-CA 3.44Å; P118-G121 PolarHBondContact O-N 3.23Å | ||
| 119 | E | 88.7 | Confident | 95.3 | Very high | 115 Ų | 115 | 55.4 Ų | 55.4 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -37 | -178.2 | 167.4 | 131.7 | -109.3 | 0 | 0 | 114.1 | R51 K403 | R51-E119 IonicContact CZ-OE1 3.28Å; R51-E119 IonicContact NH1-OE1 2.76Å; R51-E119 PolarHBondContact NH1-OE1 2.91Å; R51-E119 VanDerWaalsContact NH2-CD 3.31Å; R51-E119 PolarHBondContact NH2-O 3.49Å; R51-E119 IonicContact NH2-OE1 3.54Å; R51-E119 PolarHBondContact NH2-OE1 3.01Å; E119-K403 IonicContact OE1-NZ 3.28Å; E119-K403 PolarHBondContact OE1-NZ 2.8Å; E119-K403 IonicContact OE2-NZ 2.72Å |
| 120 | G | 88.6 | Confident | 95.3 | Very high | 66 Ų | 66 | 57.4 Ų | 57.4 | 68% | 0.68 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 13.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P118 | P118-G120 PolarHBondContact O-N 3.45Å; P118-G120 VanDerWaalsContact O-N 3.09Å |
| 121 | G | 93.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | 80.2 | -176.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | P118 | P118-G121 WeakPolarHBondContact O-CA 3.44Å; P118-G121 PolarHBondContact O-N 3.23Å | ||
| 122 | L | 95.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | trans | -79.5 | 132 | -176.8 | -64.9 | 175.4 | 0 | 0 | 0 | 111.6 | V67 P81 V83 M126 | V67-L122 HydrophobicContact CB-CD1 4.49Å; P81-L122 HydrophobicContact CB-CB 3.64Å; V83-L122 HydrophobicContact CG2-CD1 3.8Å; L122-M126 HydrophobicContact CD2-CB 4.09Å; L122-M126 HydrophobicContact CD2-CE 3.54Å; L122-M126 HydrophobicContact CD2-SD 4.34Å | ||
| 123 | K | 93.8 | Very high | 94.9 | Very high | 198 Ų | 198 | 59.6 Ų | 59.6 | 86% | 0.861 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -98.8 | -19.7 | 172.8 | -63.3 | -174.5 | 179.5 | -178.8 | 0 | 113.7 | ||
| 124 | R | 95.1 | Very high | 94.6 | Very high | 193 Ų | 193 | 61.3 Ų | 61.3 | 73% | 0.728 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -150.5 | 162.3 | 178.8 | 59.6 | 176.5 | 166.9 | 80.9 | -2.1 | 108.9 | M126 | R124-M126 PolarHBondContact O-N 2.96Š|
| 125 | N | 95.4 | Very high | 94.2 | Very high | 85 Ų | 85 | 61.5 Ų | 61.5 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | trans | -56.4 | 136 | 175.2 | -69.8 | -13 | 0 | 0 | 0 | 110.5 | P81 K82 | P81-N125 WeakPolarHBondContact CA-OD1 3.34Å; K82-N125 PolarHBondContact N-OD1 3.28Å; K82-N125 CarbonylContact O-C 3.51Å; K82-N125 VanDerWaalsContact O-CA 3.25Å; K82-N125 WeakPolarHBondContact O-CA 3.37Å | ||
| 126 | M | 96.3 | Very high | 94 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 15% | 0.148 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -104 | 111.4 | 177.8 | 179.1 | -176.6 | -76.2 | 0 | 0 | 108.5 | K82 V83 C84 W115 E116 I117 L122 R124 | K82-M126 PolarHBondContact O-N 3.21Å; V83-M126 CarbonylContact C-O 3.52Å; V83-M126 WeakPolarHBondContact CA-O 3.47Å; V83-M126 HydrophobicContact CG2-CB 4.45Å; V83-M126 HydrophobicContact CG2-SD 4.34Å; C84-M126 PolarHBondContact N-O 3.4Å; W115-M126 HydrophobicContact CB-SD 4.21Å; W115-M126 HydrophobicContact CE3-CG 3.93Å; W115-M126 HydrophobicContact CE3-SD 3.74Å; W115-M126 HydrophobicContact CZ3-CG 4.15Å; E116-M126 WeakPolarHBondContact O-CE 3.35Å; I117-M126 HydrophobicContact CD1-CE 4.45Å; I117-M126 HydrophobicContact CD1-SD 4.33Å; L122-M126 HydrophobicContact CD2-CB 4.09Å; L122-M126 HydrophobicContact CD2-CE 3.54Å; L122-M126 HydrophobicContact CD2-SD 4.34Å; R124-M126 PolarHBondContact O-N 2.96Å |
| 127 | T | 94.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 59.9 Ų | 59.9 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | trans | -107.1 | -22 | -177.5 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | C84 G85 | C84-T127 HydrophobicContact CB-CG2 4.33Å; G85-T127 VanDerWaalsContact CA-O 3.24Å; G85-T127 WeakPolarHBondContact CA-O 3.44Å | ||
| 128 | E | 92.8 | Very high | 93.8 | Very high | 163 Ų | 163 | 65 Ų | 65 | 76% | 0.762 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -98.7 | 122.3 | -179.2 | -65.4 | -179.8 | 176.5 | 0 | 0 | 109.5 | W115 | W115-E128 VanDerWaalsContact CZ3-C 3.44Å; W115-E128 WeakPolarHBondContact CZ3-O 3.17Å |
| 129 | A | 95.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 66.6 Ų | 66.6 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | trans | -80.8 | 150.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | R113 W115 L131 E132 | R113-A129 HydrophobicContact CB-CB 3.88Å; R113-A129 HydrophobicContact CG-CB 4.12Å; W115-A129 HydrophobicContact CD2-CB 4.09Å; W115-A129 HydrophobicContact CE3-CB 3.86Å; W115-A129 HydrophobicContact CH2-CB 3.85Å; W115-A129 HydrophobicContact CZ2-CB 4.08Å; W115-A129 HydrophobicContact CZ3-CB 3.75Å; A129-L131 VanDerWaalsContact C-N 3.27Å; A129-E132 HydrophobicContact CB-CG 4Å | ||
| 130 | L | 95 | Very high | 94.4 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -65.5 | -36.4 | 172.8 | -176.1 | 61.7 | 0 | 0 | 0 | 111 | I102 I114 E116 F409 A411 | I102-L130 HydrophobicContact CD1-CD2 4.16Å; I114-L130 WeakPolarHBondContact O-CB 3.47Å; I114-L130 PolarHBondContact O-N 2.96Å; E116-L130 HydrophobicContact CB-CD2 3.96Å; L130-F409 HydrophobicContact CD2-CD1 3.24Å; L130-F409 HydrophobicContact CD2-CE1 3.6Å; L130-F409 HydrophobicContact CD2-CG 4.2Å; L130-F409 HydrophobicContact CG-CD1 4.09Å; L130-F409 HydrophobicContact CG-CE1 4Å; L130-A411 HydrophobicContact CD1-CB 3.94Å; L130-A411 HydrophobicContact CG-CB 4.03Å |
| 131 | L | 95.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 138.1 | 174.3 | -173 | 60.5 | 0 | 0 | 0 | 110 | R113 I114 A129 L133 L167 F409 P412 | R113-L131 WeakPolarHBondContact CA-O 3.4Å; I114-L131 HydrophobicContact CB-CB 4.01Å; I114-L131 HydrophobicContact CG1-CB 4.03Å; I114-L131 HydrophobicContact CG1-CD2 4.41Å; I114-L131 PolarHBondContact N-O 2.85Å; I114-L131 PolarHBondContact O-N 3.5Å; A129-L131 VanDerWaalsContact C-N 3.27Å; L131-L133 HydrophobicContact CD2-CD2 3.71Å; L131-L133 HydrophobicContact CD2-CG 4.49Å; L131-L133 HydrophobicContact CG-CD2 3.79Å; L131-L133 HydrophobicContact CG-CG 4.38Å; L131-L167 HydrophobicContact CD2-CB 4.33Å; L131-L167 HydrophobicContact CD2-CD2 4.09Å; L131-F409 HydrophobicContact CD2-CZ 4.33Å; L131-P412 HydrophobicContact CD1-CG 3.96Å; L131-P412 HydrophobicContact CD2-CG 4.38Å |
| 132 | E | 94.3 | Very high | 95.1 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.4 | 172.1 | -57.7 | -167.2 | -162.9 | 0 | 0 | 108.7 | R113 A129 H134 | R113-E132 HydrophobicContact CG-CB 4.49Å; R113-E132 HydrophobicContact CG-CG 4.13Å; R113-E132 VanDerWaalsContact CZ-CD 3.41Å; R113-E132 IonicContact CZ-OE1 3.82Å; R113-E132 IonicContact CZ-OE2 3.56Å; R113-E132 IonicContact NE-OE1 2.86Å; R113-E132 IonicContact NE-OE2 2.85Å; R113-E132 IonicContact NH1-OE1 3.93Å; R113-E132 IonicContact NH2-OE1 3.09Å; R113-E132 PolarHBondContact NH2-OE1 3.17Å; R113-E132 VanDerWaalsContact NH2-OE1 3.1Å; R113-E132 IonicContact NH2-OE2 3.52Å; R113-E132 PolarHBondContact NH2-OE2 2.79Å; A129-E132 HydrophobicContact CB-CG 4Å; E132-H134 IonicContact OE2-CE1 2.78Å; E132-H134 PolarHBondContact OE2-CE1 3.35Å; E132-H134 IonicContact OE2-NE2 3.3Å |
| 133 | L | 94.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.7 | -176.3 | -56.9 | 175.4 | 0 | 0 | 0 | 108.6 | V112 I114 L131 L153 W165 L167 | V112-L133 HydrophobicContact CB-CB 4.08Å; V112-L133 HydrophobicContact CB-CD1 4.24Å; V112-L133 HydrophobicContact CG1-CD1 4.05Å; V112-L133 PolarHBondContact N-O 3.46Å; V112-L133 WeakPolarHBondContact O-CB 3.45Å; V112-L133 PolarHBondContact O-N 2.98Å; I114-L133 HydrophobicContact CD1-CD1 4.36Å; I114-L133 HydrophobicContact CG1-CD1 4.44Å; L131-L133 HydrophobicContact CD2-CD2 3.71Å; L131-L133 HydrophobicContact CD2-CG 4.49Å; L131-L133 HydrophobicContact CG-CD2 3.79Å; L131-L133 HydrophobicContact CG-CG 4.38Å; L133-L153 HydrophobicContact CD1-CD2 4.1Å; L133-W165 HydrophobicContact CB-CD2 4.13Å; L133-W165 HydrophobicContact CB-CE3 3.81Å; L133-W165 HydrophobicContact CB-CH2 3.98Å; L133-W165 HydrophobicContact CB-CZ2 4.28Å; L133-W165 HydrophobicContact CB-CZ3 3.7Å; L133-W165 HydrophobicContact CD1-CB 4.2Å; L133-W165 HydrophobicContact CD1-CD2 3.91Å; L133-W165 HydrophobicContact CD1-CE3 4.15Å; L133-W165 HydrophobicContact CD1-CG 3.9Å; L133-W165 HydrophobicContact CD2-CD2 4.45Å; L133-W165 HydrophobicContact CD2-CE3 3.86Å; L133-W165 HydrophobicContact CD2-CZ3 4.32Å; L133-W165 HydrophobicContact CG-CD2 4.39Å; L133-W165 HydrophobicContact CG-CE3 4.15Å; L133-W165 HydrophobicContact CG-CZ3 4.49Å; L133-L167 HydrophobicContact CD1-CD2 3.64Å; L133-L167 HydrophobicContact CD2-CD2 4.2Å |
| 134 | H | 92.2 | Very high | 95.4 | Very high | 51 Ų | 51 | 50.6 Ų | 50.6 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | trans | -119.7 | 135.5 | -179.7 | -62.7 | 93.5 | 0 | 0 | 0 | 109.6 | E132 W165 R433 | E132-H134 IonicContact OE2-CE1 2.78Å; E132-H134 PolarHBondContact OE2-CE1 3.35Å; E132-H134 IonicContact OE2-NE2 3.3Å; H134-W165 WeakPolarHBondContact O-CH2 3.32Å; H134-R433 PolarHBondContact CD2-NH2 3.4Å; H134-R433 PolarHBondContact NE2-NH1 2.85Å | ||
| 135 | G | 89.8 | Confident | 95.6 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | trans | 171.4 | -24.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 136 | H | 95.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | trans | -76.2 | 140.8 | 168.8 | -74.4 | -69.8 | 0 | 0 | 0 | 111.2 | V140 S155 G157 D159 K161 | H136-V140 HydrophobicContact CB-CG2 3.64Å; H136-V140 VanDerWaalsContact CD2-CG2 3.45Å; H136-V140 WeakPolarHBondContact CD2-CG2 3.47Å; H136-S155 PolarHBondContact CD2-OG 3.13Å; H136-S155 PolarHBondContact NE2-O 3.11Å; H136-S155 PolarHBondContact NE2-OG 2.82Å; H136-G157 PolarHBondContact CE1-N 3.1Å; H136-D159 WeakPolarHBondContact CA-OD2 3.48Å; H136-D159 WeakPolarHBondContact CB-OD2 3.28Å; H136-D159 IonicContact CE1-OD1 2.81Å; H136-D159 IonicContact CG-OD2 2.89Å; H136-D159 VanDerWaalsContact ND1-CG 3.34Å; H136-D159 IonicContact ND1-OD1 2.64Å; H136-D159 PolarHBondContact ND1-OD1 2.88Å; H136-D159 IonicContact ND1-OD2 3.36Å; H136-D159 PolarHBondContact ND1-OD2 3.39Å; H136-K161 PolarHBondContact CE1-O 3.42Å | ||
| 137 | S | 93.1 | Very high | 95.8 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 35% | 0.35 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -92.9 | -8.8 | 178.1 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | D159 N429 | S137-D159 PolarHBondContact N-OD2 3.14Å; S137-D159 WeakPolarHBondContact OG-CB 3.22Å; S137-N429 WeakPolarHBondContact CB-O 3.25Å |
| 138 | R | 96.1 | Very high | 96 | Very high | 109 Ų | 109 | 35.1 Ų | 35.1 | 41% | 0.411 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -134 | 171.1 | 176.5 | -62.3 | 179.1 | 64.6 | -170.4 | 10.5 | 109.9 | T110 V140 Y158 D159 Y160 | T110-R138 VanDerWaalsContact CG2-C 3.48Å; R138-V140 PolarHBondContact O-N 3.34Å; R138-Y158 VanDerWaalsContact CD-O 3.25Å; R138-Y158 WeakPolarHBondContact CD-O 3.36Å; R138-Y158 PolarHBondContact NE-O 3.4Å; R138-Y158 PolarHBondContact NH1-O 3.09Å; R138-D159 HydrophobicContact CB-CB 4.31Å; R138-D159 HydrophobicContact CG-CB 4.31Å; R138-Y160 PolarHBondContact NH1-OH 2.96Å |
| 139 | R | 96.6 | Very high | 96.2 | Very high | 95 Ų | 95 | 27.4 Ų | 27.4 | 36% | 0.358 | 14% | 0.135 | S | C | . | . | trans | -47.9 | 140.1 | 179.3 | 59.2 | 177.1 | 174 | -162.8 | -6.3 | 112.4 | L91 E108 Y158 | L91-R139 HydrophobicContact CD1-CB 4.28Å; L91-R139 HydrophobicContact CD1-CG 4.46Å; E108-R139 HydrophobicContact CB-CB 4.35Å; E108-R139 HydrophobicContact CG-CB 4.35Å; E108-R139 IonicContact OE1-NH1 3.52Å; E108-R139 PolarHBondContact OE1-NH1 2.99Å; R139-Y158 HydrophobicContact CG-CD1 4.17Å; R139-Y158 HydrophobicContact CG-CD2 3.56Å; R139-Y158 HydrophobicContact CG-CE2 4.14Å; R139-Y158 HydrophobicContact CG-CG 3.56Å; R139-Y158 VanDerWaalsContact NE-CD1 3.34Å; R139-Y158 VanDerWaalsContact NE-CE1 3.28Å; R139-Y158 WeakPolarHBondContact O-CD2 3.5Å; R139-Y158 PolarHBondContact O-N 3.05Å | ||
| 140 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 117.3 | -179.8 | -173 | 0 | 0 | 0 | 0 | 108.7 | L91 C106 S107 T110 V112 H136 R138 | L91-V140 WeakPolarHBondContact CD1-O 3.35Å; C106-V140 HydrophobicContact CB-CB 3.81Å; C106-V140 HydrophobicContact CB-CG1 3.58Å; C106-V140 PolarHBondContact SG-O 3.01Å; S107-V140 PolarHBondContact O-N 3.47Å; T110-V140 WeakPolarHBondContact O-CG2 3.48Å; V112-V140 HydrophobicContact CG2-CB 4.37Å; V112-V140 HydrophobicContact CG2-CG1 3.78Å; V112-V140 HydrophobicContact CG2-CG2 4.4Å; H136-V140 HydrophobicContact CB-CG2 3.64Å; H136-V140 VanDerWaalsContact CD2-CG2 3.45Å; H136-V140 WeakPolarHBondContact CD2-CG2 3.47Å; R138-V140 PolarHBondContact O-N 3.34Å |
| 141 | G | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -16.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H41 N43 A156 | H41-G141 PolarHBondContact NE2-O 2.96Å; H41-G141 VanDerWaalsContact NE2-O 3.1Å; N43-G141 PolarHBondContact ND2-O 3.11Å; G141-A156 PolarHBondContact N-O 3.15Å |
| 142 | L | 98.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 141.5 | -176 | -55.3 | 171.1 | 0 | 0 | 0 | 110.1 | N43 S155 A156 I183 M186 | N43-L142 WeakPolarHBondContact OD1-CD2 3.49Å; L142-S155 VanDerWaalsContact O-CA 3.31Å; L142-S155 WeakPolarHBondContact O-CA 3.45Å; L142-A156 HydrophobicContact CB-CB 4.11Å; L142-A156 HydrophobicContact CD1-CB 4.1Å; L142-A156 HydrophobicContact CG-CB 4.48Å; L142-A156 PolarHBondContact N-O 2.86Å; L142-A156 PolarHBondContact O-N 3.1Å; L142-I183 HydrophobicContact CD1-CG2 3.97Å; L142-M186 HydrophobicContact CB-CE 3.79Å; L142-M186 HydrophobicContact CD1-CG 4.21Å |
| 143 | V | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.6 | 165.5 | -76.5 | 0 | 0 | 0 | 0 | 110.2 | D92 K94 C106 V112 F154 | D92-V143 HydrophobicContact CB-CG2 4.05Å; D92-V143 PolarHBondContact OD2-N 3.37Å; K94-V143 HydrophobicContact CB-CG2 4.43Å; K94-V143 HydrophobicContact CG-CG2 4.02Å; K94-V143 VanDerWaalsContact CG-O 3.31Å; K94-V143 WeakPolarHBondContact CG-O 3.17Å; C106-V143 HydrophobicContact CB-CG1 3.61Å; V112-V143 HydrophobicContact CG1-CG1 3.88Å; V112-V143 HydrophobicContact CG2-CG1 3.99Å; V143-F154 CarbonylContact C-O 3.6Å; V143-F154 VanDerWaalsContact CA-O 3.3Å; V143-F154 WeakPolarHBondContact CA-O 3.15Å |
| 144 | E | 98.6 | Very high | 96.8 | Very high | 48 Ų | 48 | 21.5 Ų | 21.5 | 22% | 0.224 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 133.6 | 173.3 | -71 | -62.3 | 171.5 | 0 | 0 | 110.3 | K94 L153 F154 M186 F188 | K94-E144 WeakPolarHBondContact CE-OE1 3.42Å; K94-E144 IonicContact NZ-OE1 3.34Å; K94-E144 PolarHBondContact NZ-OE1 2.78Å; K94-E144 IonicContact NZ-OE2 2.75Å; K94-E144 PolarHBondContact NZ-OE2 2.8Å; K94-E144 VanDerWaalsContact NZ-OE2 3.09Å; E144-L153 WeakPolarHBondContact O-CD1 3.49Å; E144-F154 PolarHBondContact N-O 3.48Å; E144-F154 PolarHBondContact O-N 3.29Å; E144-M186 HydrophobicContact CB-CE 4.29Å; E144-M186 HydrophobicContact CG-CB 4.16Å; E144-M186 HydrophobicContact CG-CE 4.12Å; E144-F188 HydrophobicContact CB-CD2 4.49Å; E144-F188 HydrophobicContact CB-CE2 4.07Å |
| 145 | W | 98.6 | Very high | 97.1 | Very high | 17 Ų | 17 | 19 Ų | 19 | 6% | 0.064 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 146.4 | 172.8 | -67.5 | 96.6 | 0 | 0 | 0 | 110.4 | K94 W95 N96 P97 I102 A104 I114 L153 L167 | K94-W145 PolarHBondContact O-NE1 3.35Å; W95-W145 PolarHBondContact O-NE1 2.95Å; N96-W145 HydrophobicContact CB-CD2 4.22Å; N96-W145 HydrophobicContact CB-CE3 4.46Å; N96-W145 HydrophobicContact CB-CH2 4.09Å; N96-W145 HydrophobicContact CB-CZ2 3.82Å; N96-W145 HydrophobicContact CB-CZ3 4.4Å; N96-W145 WeakPolarHBondContact ND2-CH2 3.31Å; N96-W145 WeakPolarHBondContact ND2-CZ3 3.38Å; P97-W145 HydrophobicContact CG-CB 4.09Å; I102-W145 HydrophobicContact CG2-CH2 3.99Å; I102-W145 HydrophobicContact CG2-CZ2 4.11Å; A104-W145 HydrophobicContact CB-CZ2 3.63Å; I114-W145 HydrophobicContact CD1-CH2 4.09Å; I114-W145 HydrophobicContact CD1-CZ2 4.31Å; W145-L153 HydrophobicContact CD2-CD1 3.57Å; W145-L153 HydrophobicContact CE3-CB 4.32Å; W145-L153 HydrophobicContact CE3-CD1 3.87Å; W145-L153 HydrophobicContact CG-CD1 3.9Å; W145-L153 HydrophobicContact CZ2-CD1 4.29Å; W145-L153 HydrophobicContact CZ3-CB 4.41Å; W145-L153 HydrophobicContact CZ3-CD1 4.34Å; W145-L167 HydrophobicContact CH2-CD1 3.54Å; W145-L167 HydrophobicContact CZ3-CD1 3.41Å; W145-L167 VanDerWaalsContact CZ3-CD1 3.41Å |
| 146 | H | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | trans | -64.5 | 133.7 | 170.1 | -164.8 | -89.4 | 0 | 0 | 0 | 110.2 | T148 T149 I152 G192 W384 | H146-T148 VanDerWaalsContact C-N 3.31Å; H146-T148 PolarHBondContact CE1-OG1 3.28Å; H146-T148 PolarHBondContact ND1-N 3.42Å; H146-T148 PolarHBondContact ND1-OG1 3.43Å; H146-T148 PolarHBondContact O-N 3.41Å; H146-T149 PolarHBondContact CE1-OG1 2.73Å; H146-T149 VanDerWaalsContact ND1-CB 3.25Å; H146-T149 WeakPolarHBondContact ND1-CB 3.47Å; H146-T149 PolarHBondContact ND1-N 2.97Å; H146-T149 VanDerWaalsContact ND1-N 3.14Å; H146-T149 PolarHBondContact ND1-OG1 3.12Å; H146-I152 HydrophobicContact CB-CB 3.76Å; H146-I152 HydrophobicContact CB-CG2 3.84Å; H146-I152 PolarHBondContact N-O 3.2Å; H146-G192 WeakPolarHBondContact NE2-CA 3.47Å; H146-G192 PolarHBondContact NE2-O 3.29Å; H146-G192 VanDerWaalsContact NE2-O 3.09Å; H146-W384 AromaticContact CD2-CE2 3.82Å; H146-W384 AromaticContact CD2-CZ2 3.85Å; H146-W384 AromaticContact CD2-NE1 3.91Å; H146-W384 AromaticContact CE1-CD1 3.66Å; H146-W384 AromaticContact CE1-NE1 3.45Å; H146-W384 PolarHBondContact CE1-NE1 2.92Å; H146-W384 AromaticContact NE2-CD1 3.66Å; H146-W384 AromaticContact NE2-CE2 3.33Å; H146-W384 VanDerWaalsContact NE2-CE2 3.33Å; H146-W384 AromaticContact NE2-CZ2 3.68Å; H146-W384 AromaticContact NE2-NE1 2.96Å; H146-W384 PolarHBondContact NE2-NE1 2.77Å | ||
| 147 | P | 97.6 | Very high | 97.7 | Very high | 41 Ų | 41 | 19 Ų | 19 | 27% | 0.266 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -72.3 | -22.3 | -170.4 | 28 | -36.7 | 0 | 0 | 0 | 114 | F98 F188 | F98-P147 WeakPolarHBondContact CZ-O 3.39Å; P147-F188 HydrophobicContact CG-CB 3.93Å; P147-F188 HydrophobicContact CG-CG 4.26Å |
| 148 | T | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -126.7 | -7.5 | -172.3 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | H146 T190 D191 P377 A378 L379 R390 P392 | H146-T148 VanDerWaalsContact C-N 3.31Å; H146-T148 PolarHBondContact CE1-OG1 3.28Å; H146-T148 PolarHBondContact ND1-N 3.42Å; H146-T148 PolarHBondContact ND1-OG1 3.43Å; H146-T148 PolarHBondContact O-N 3.41Å; T148-T190 WeakPolarHBondContact CG2-O 3.18Å; T148-D191 PolarHBondContact OG1-O 2.76Å; T148-P377 CarbonylContact O-C 3.55Å; T148-A378 PolarHBondContact O-N 3.08Å; T148-L379 PolarHBondContact O-N 3.15Å; T148-L379 VanDerWaalsContact O-N 3.11Å; T148-R390 WeakPolarHBondContact CG2-O 3.33Å; T148-P392 HydrophobicContact CG2-CB 4.15Å; T148-P392 HydrophobicContact CG2-CG 3.67Å |
| 149 | T | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | B | Isolated β-bridge | trans | -123.4 | 119.2 | -171.7 | -51.5 | 0 | 0 | 0 | 0 | 108.7 | F98 H146 I152 L379 T380 W384 | F98-T149 WeakPolarHBondContact CE2-O 3.47Å; H146-T149 PolarHBondContact CE1-OG1 2.73Å; H146-T149 VanDerWaalsContact ND1-CB 3.25Å; H146-T149 WeakPolarHBondContact ND1-CB 3.47Å; H146-T149 PolarHBondContact ND1-N 2.97Å; H146-T149 VanDerWaalsContact ND1-N 3.14Å; H146-T149 PolarHBondContact ND1-OG1 3.12Å; T149-I152 HydrophobicContact CG2-CB 4.45Å; T149-I152 HydrophobicContact CG2-CG1 3.66Å; T149-L379 WeakPolarHBondContact CA-O 3.49Å; T149-L379 HydrophobicContact CG2-CB 4.13Å; T149-T380 VanDerWaalsContact CG2-C 3.46Å; T149-T380 WeakPolarHBondContact CG2-O 3.36Å; T149-W384 HydrophobicContact CG2-CB 3.75Å; T149-W384 HydrophobicContact CG2-CG 4.36Å |
| 150 | N | 94.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 12.1 Ų | 12.1 | 8% | 0.075 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 153.2 | 177 | -178.3 | 46.9 | 0 | 0 | 0 | 110.9 | F98 I152 P377 L379 P381 M407 | F98-N150 HydrophobicContact CD2-CB 3.99Å; F98-N150 HydrophobicContact CE2-CB 4.39Å; N150-I152 PolarHBondContact O-N 2.94Å; N150-P377 HydrophobicContact CB-CB 3.79Å; N150-P377 HydrophobicContact CB-CG 3.94Å; N150-L379 PolarHBondContact N-O 2.82Å; N150-P381 WeakPolarHBondContact O-CD 3.36Å; N150-P381 VanDerWaalsContact O-CG 3.24Å; N150-P381 WeakPolarHBondContact O-CG 3.43Å; N150-M407 HydrophobicContact CB-CE 4.01Å; N150-M407 VanDerWaalsContact ND2-CE 3.25Å; N150-M407 WeakPolarHBondContact ND2-CE 3.33Å |
| 151 | N | 95.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 13.8 Ų | 13.8 | 4% | 0.037 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 14.5 | 173 | -67.9 | -14.2 | 0 | 0 | 0 | 116.2 | L167 D168 P381 F409 | N151-L167 HydrophobicContact CB-CB 3.96Å; N151-L167 WeakPolarHBondContact O-CG 3.37Å; N151-L167 PolarHBondContact O-N 2.63Å; N151-D168 PolarHBondContact ND2-OD1 3.34Å; N151-P381 HydrophobicContact CB-CG 4.05Å; N151-F409 WeakPolarHBondContact OD1-CD2 3.47Å; N151-F409 WeakPolarHBondContact OD1-CE2 3.34Å |
| 152 | I | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.4 | 166.1 | -60.7 | -61.8 | 0 | 0 | 0 | 109.3 | H146 T149 N150 F154 I164 W165 N166 P381 W384 | H146-I152 HydrophobicContact CB-CB 3.76Å; H146-I152 HydrophobicContact CB-CG2 3.84Å; H146-I152 PolarHBondContact N-O 3.2Å; T149-I152 HydrophobicContact CG2-CB 4.45Å; T149-I152 HydrophobicContact CG2-CG1 3.66Å; N150-I152 PolarHBondContact O-N 2.94Å; I152-F154 HydrophobicContact CG2-CD2 4.12Å; I152-F154 HydrophobicContact CG2-CE2 3.68Å; I152-I164 HydrophobicContact CG2-CG2 4.01Å; I152-W165 WeakPolarHBondContact CA-O 3.44Å; I152-N166 HydrophobicContact CD1-CB 4.2Å; I152-P381 HydrophobicContact CD1-CB 3.83Å; I152-P381 HydrophobicContact CD1-CG 4.23Å; I152-P381 HydrophobicContact CG1-CB 4.3Å; I152-P381 HydrophobicContact CG1-CG 4.34Å; I152-W384 HydrophobicContact CD1-CE3 4.25Å; I152-W384 HydrophobicContact CD1-CZ3 4.43Å; I152-W384 HydrophobicContact CG1-CE3 4.11Å; I152-W384 HydrophobicContact CG1-CZ3 4.49Å; I152-W384 HydrophobicContact CG2-CE3 4.28Å; I152-W384 HydrophobicContact CG2-CH2 4.31Å; I152-W384 HydrophobicContact CG2-CZ3 3.94Å |
| 153 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.2 | 179.1 | -176.8 | 73.8 | 0 | 0 | 0 | 109.9 | A104 V112 I114 L133 E144 W145 I164 W165 L167 | A104-L153 HydrophobicContact CB-CD1 4.15Å; A104-L153 HydrophobicContact CB-CD2 4.07Å; V112-L153 HydrophobicContact CG1-CD2 3.73Å; I114-L153 HydrophobicContact CD1-CD2 3.86Å; L133-L153 HydrophobicContact CD1-CD2 4.1Å; E144-L153 WeakPolarHBondContact O-CD1 3.49Å; W145-L153 HydrophobicContact CD2-CD1 3.57Å; W145-L153 HydrophobicContact CE3-CB 4.32Å; W145-L153 HydrophobicContact CE3-CD1 3.87Å; W145-L153 HydrophobicContact CG-CD1 3.9Å; W145-L153 HydrophobicContact CZ2-CD1 4.29Å; W145-L153 HydrophobicContact CZ3-CB 4.41Å; W145-L153 HydrophobicContact CZ3-CD1 4.34Å; L153-I164 WeakPolarHBondContact O-CA 3.24Å; L153-W165 HydrophobicContact CB-CB 4.35Å; L153-W165 PolarHBondContact N-O 3.34Å; L153-W165 VanDerWaalsContact N-O 3.1Å; L153-W165 VanDerWaalsContact O-CD1 3.31Å; L153-W165 PolarHBondContact O-N 3.19Å; L153-L167 HydrophobicContact CB-CD2 4.38Å |
| 154 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.5 | 173.9 | -77.2 | -128.5 | 0 | 0 | 0 | 109.1 | V143 E144 I152 V162 L163 I164 M186 F188 L195 P209 W384 | V143-F154 CarbonylContact C-O 3.6Å; V143-F154 VanDerWaalsContact CA-O 3.3Å; V143-F154 WeakPolarHBondContact CA-O 3.15Å; E144-F154 PolarHBondContact N-O 3.48Å; E144-F154 PolarHBondContact O-N 3.29Å; I152-F154 HydrophobicContact CG2-CD2 4.12Å; I152-F154 HydrophobicContact CG2-CE2 3.68Å; F154-V162 HydrophobicContact CB-CG1 4.35Å; F154-V162 HydrophobicContact CD1-CG1 3.74Å; F154-V162 HydrophobicContact CG-CG1 4.47Å; F154-L163 WeakPolarHBondContact CA-O 3.2Å; F154-I164 HydrophobicContact CD1-CD1 4.28Å; F154-I164 HydrophobicContact CD1-CG1 3.78Å; F154-I164 HydrophobicContact CD2-CG1 4.27Å; F154-I164 HydrophobicContact CD2-CG2 4.12Å; F154-I164 HydrophobicContact CE1-CD1 3.47Å; F154-I164 VanDerWaalsContact CE1-CD1 3.47Å; F154-I164 HydrophobicContact CE1-CG1 3.46Å; F154-I164 VanDerWaalsContact CE1-CG1 3.46Å; F154-I164 HydrophobicContact CE2-CB 4.33Å; F154-I164 HydrophobicContact CE2-CD1 4.29Å; F154-I164 HydrophobicContact CE2-CG1 3.98Å; F154-I164 HydrophobicContact CE2-CG2 3.64Å; F154-I164 HydrophobicContact CG-CG1 4.18Å; F154-I164 HydrophobicContact CZ-CB 4.36Å; F154-I164 HydrophobicContact CZ-CD1 3.48Å; F154-I164 VanDerWaalsContact CZ-CD1 3.48Å; F154-I164 HydrophobicContact CZ-CG1 3.58Å; F154-I164 HydrophobicContact CZ-CG2 3.94Å; F154-M186 HydrophobicContact CB-CE 4.35Å; F154-F188 HydrophobicContact CB-CZ 4.41Å; F154-F188 HydrophobicContact CD1-CE1 4.49Å; F154-F188 AromaticContact CD1-CZ 3.75Å; F154-F188 HydrophobicContact CD1-CZ 3.75Å; F154-F188 HydrophobicContact CD2-CE1 4.5Å; F154-F188 HydrophobicContact CD2-CE2 4.27Å; F154-F188 AromaticContact CD2-CZ 3.54Å; F154-F188 HydrophobicContact CD2-CZ 3.54Å; F154-F188 HydrophobicContact CE1-CE1 4.06Å; F154-F188 AromaticContact CE1-CZ 3.74Å; F154-F188 HydrophobicContact CE1-CZ 3.74Å; F154-F188 HydrophobicContact CE2-CE1 4.08Å; F154-F188 AromaticContact CE2-CZ 3.53Å; F154-F188 HydrophobicContact CE2-CZ 3.53Å; F154-F188 HydrophobicContact CG-CE2 4.26Å; F154-F188 AromaticContact CG-CZ 3.65Å; F154-F188 HydrophobicContact CG-CZ 3.65Å; F154-F188 AromaticContact CZ-CE1 3.84Å; F154-F188 HydrophobicContact CZ-CE1 3.84Å; F154-F188 AromaticContact CZ-CZ 3.63Å; F154-F188 HydrophobicContact CZ-CZ 3.63Å; F154-L195 HydrophobicContact CD1-CD2 4.03Å; F154-L195 HydrophobicContact CE1-CD2 4.07Å; F154-P209 HydrophobicContact CE1-CB 3.61Å; F154-P209 HydrophobicContact CE1-CG 4.49Å; F154-P209 HydrophobicContact CZ-CB 3.67Å; F154-P209 HydrophobicContact CZ-CG 4.21Å; F154-W384 AromaticContact CE2-CH2 3.99Å; F154-W384 HydrophobicContact CE2-CH2 3.99Å; F154-W384 HydrophobicContact CE2-CZ2 4.46Å; F154-W384 AromaticContact CZ-CH2 3.79Å; F154-W384 HydrophobicContact CZ-CH2 3.79Å; F154-W384 HydrophobicContact CZ-CZ2 4.17Å |
| 155 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 143.8 | 170.8 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | H136 L142 V162 L163 W165 | H136-S155 PolarHBondContact CD2-OG 3.13Å; H136-S155 PolarHBondContact NE2-O 3.11Å; H136-S155 PolarHBondContact NE2-OG 2.82Å; L142-S155 VanDerWaalsContact O-CA 3.31Å; L142-S155 WeakPolarHBondContact O-CA 3.45Å; S155-V162 CarbonylContact O-C 3.54Å; S155-V162 VanDerWaalsContact O-CA 3.26Å; S155-V162 WeakPolarHBondContact O-CA 3.36Å; S155-L163 PolarHBondContact N-O 2.83Å; S155-L163 PolarHBondContact O-N 2.81Å; S155-W165 PolarHBondContact OG-NE1 3.03Å |
| 156 | A | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 2% | 0.017 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G141 L142 K161 V162 I183 M186 | G141-A156 PolarHBondContact N-O 3.15Å; L142-A156 HydrophobicContact CB-CB 4.11Å; L142-A156 HydrophobicContact CD1-CB 4.1Å; L142-A156 HydrophobicContact CG-CB 4.48Å; L142-A156 PolarHBondContact N-O 2.86Å; L142-A156 PolarHBondContact O-N 3.1Å; A156-K161 WeakPolarHBondContact CA-O 3.32Å; A156-V162 HydrophobicContact CB-CG2 4.32Å; A156-I183 HydrophobicContact CB-CB 4.16Å; A156-I183 HydrophobicContact CB-CD1 3.93Å; A156-I183 HydrophobicContact CB-CG2 4.18Å; A156-M186 HydrophobicContact CB-CE 4.1Å; A156-M186 HydrophobicContact CB-SD 3.87Å |
| 157 | G | 97.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 163.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | H136 D159 Y160 K161 | H136-G157 PolarHBondContact CE1-N 3.1Å; G157-D159 VanDerWaalsContact CA-OD1 3.23Å; G157-D159 WeakPolarHBondContact CA-OD1 3.42Å; G157-D159 PolarHBondContact O-N 3.43Å; G157-Y160 PolarHBondContact O-N 2.89Å; G157-K161 PolarHBondContact N-O 3Å; G157-K161 VanDerWaalsContact N-O 3.11Å |
| 158 | Y | 97.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 12.1 Ų | 12.1 | 10% | 0.098 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -1.1 | 167.4 | -85.7 | -120.5 | 0 | 0 | 0 | 111.8 | H41 R138 R139 Y160 V182 | H41-Y158 PolarHBondContact CE1-OH 3.12Å; H41-Y158 PolarHBondContact ND1-OH 3.18Å; R138-Y158 VanDerWaalsContact CD-O 3.25Å; R138-Y158 WeakPolarHBondContact CD-O 3.36Å; R138-Y158 PolarHBondContact NE-O 3.4Å; R138-Y158 PolarHBondContact NH1-O 3.09Å; R139-Y158 HydrophobicContact CG-CD1 4.17Å; R139-Y158 HydrophobicContact CG-CD2 3.56Å; R139-Y158 HydrophobicContact CG-CE2 4.14Å; R139-Y158 HydrophobicContact CG-CG 3.56Å; R139-Y158 VanDerWaalsContact NE-CD1 3.34Å; R139-Y158 VanDerWaalsContact NE-CE1 3.28Å; R139-Y158 WeakPolarHBondContact O-CD2 3.5Å; R139-Y158 PolarHBondContact O-N 3.05Å; Y158-Y160 VanDerWaalsContact O-CD1 3.27Å; Y158-Y160 WeakPolarHBondContact O-CD1 3.27Å; Y158-Y160 WeakPolarHBondContact O-CE1 3.45Å; Y158-Y160 PolarHBondContact O-N 2.93Å; Y158-V182 HydrophobicContact CD1-CG1 4.41Å; Y158-V182 HydrophobicContact CD1-CG2 3.77Å; Y158-V182 HydrophobicContact CD2-CG1 4.42Å; Y158-V182 HydrophobicContact CE1-CG1 4Å; Y158-V182 HydrophobicContact CE1-CG2 3.78Å; Y158-V182 HydrophobicContact CE2-CG1 4.03Å; Y158-V182 HydrophobicContact CG-CG2 4.41Å |
| 159 | D | 96 | Very high | 97 | Very high | 19 Ų | 19 | 15.8 Ų | 15.8 | 10% | 0.102 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 5 | 164.3 | 56.9 | 7.8 | 0 | 0 | 0 | 112.6 | H136 S137 R138 G157 K161 | H136-D159 WeakPolarHBondContact CA-OD2 3.48Å; H136-D159 WeakPolarHBondContact CB-OD2 3.28Å; H136-D159 IonicContact CE1-OD1 2.81Å; H136-D159 IonicContact CG-OD2 2.89Å; H136-D159 VanDerWaalsContact ND1-CG 3.34Å; H136-D159 IonicContact ND1-OD1 2.64Å; H136-D159 PolarHBondContact ND1-OD1 2.88Å; H136-D159 IonicContact ND1-OD2 3.36Å; H136-D159 PolarHBondContact ND1-OD2 3.39Å; S137-D159 PolarHBondContact N-OD2 3.14Å; S137-D159 WeakPolarHBondContact OG-CB 3.22Å; R138-D159 HydrophobicContact CB-CB 4.31Å; R138-D159 HydrophobicContact CG-CB 4.31Å; G157-D159 VanDerWaalsContact CA-OD1 3.23Å; G157-D159 WeakPolarHBondContact CA-OD1 3.42Å; G157-D159 PolarHBondContact O-N 3.43Å; D159-K161 PolarHBondContact O-N 3.46Å; D159-K161 PolarHBondContact OD1-N 3.49Å |
| 160 | Y | 97.9 | Very high | 96.5 | Very high | 65 Ų | 65 | 16.5 Ų | 16.5 | 26% | 0.255 | 9% | 0.088 | S | C | . | . | S | Bend | trans | 69.8 | 14.5 | 174.3 | -44.3 | -35.3 | 0 | 0 | 0 | 113.9 | R138 G157 Y158 H179 D181 V182 | R138-Y160 PolarHBondContact NH1-OH 2.96Å; G157-Y160 PolarHBondContact O-N 2.89Å; Y158-Y160 VanDerWaalsContact O-CD1 3.27Å; Y158-Y160 WeakPolarHBondContact O-CD1 3.27Å; Y158-Y160 WeakPolarHBondContact O-CE1 3.45Å; Y158-Y160 PolarHBondContact O-N 2.93Å; Y160-H179 WeakPolarHBondContact O-CB 3.23Å; Y160-D181 WeakPolarHBondContact CD1-O 3.42Å; Y160-D181 PolarHBondContact OH-OD1 2.94Å; Y160-V182 HydrophobicContact CD1-CG2 4.43Å; Y160-V182 VanDerWaalsContact CD1-N 3.31Å; Y160-V182 HydrophobicContact CE1-CB 4.31Å; Y160-V182 HydrophobicContact CE1-CG2 3.68Å |
| 161 | K | 97.3 | Very high | 96 | Very high | 36 Ų | 36 | 18.8 Ų | 18.8 | 16% | 0.157 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -102.9 | 149.8 | 179.8 | -64.5 | 177.2 | 178.4 | -154.6 | 0 | 110.4 | H136 A156 G157 D159 M175 I176 D177 | H136-K161 PolarHBondContact CE1-O 3.42Å; A156-K161 WeakPolarHBondContact CA-O 3.32Å; G157-K161 PolarHBondContact N-O 3Å; G157-K161 VanDerWaalsContact N-O 3.11Å; D159-K161 PolarHBondContact O-N 3.46Å; D159-K161 PolarHBondContact OD1-N 3.49Å; K161-M175 HydrophobicContact CD-CE 4.43Å; K161-M175 HydrophobicContact CD-CG 4.43Å; K161-M175 HydrophobicContact CD-SD 3.74Å; K161-M175 HydrophobicContact CG-SD 4.41Å; K161-I176 WeakPolarHBondContact CA-O 3.34Å; K161-D177 VanDerWaalsContact CE-OD2 3.26Å; K161-D177 WeakPolarHBondContact CE-OD2 3.12Å; K161-D177 IonicContact NZ-OD2 2.69Å; K161-D177 PolarHBondContact NZ-OD2 3.45Å |
| 162 | V | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.4 | 159.6 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | F154 S155 A156 M175 I176 I183 M186 L195 | F154-V162 HydrophobicContact CB-CG1 4.35Å; F154-V162 HydrophobicContact CD1-CG1 3.74Å; F154-V162 HydrophobicContact CG-CG1 4.47Å; S155-V162 CarbonylContact O-C 3.54Å; S155-V162 VanDerWaalsContact O-CA 3.26Å; S155-V162 WeakPolarHBondContact O-CA 3.36Å; A156-V162 HydrophobicContact CB-CG2 4.32Å; V162-M175 WeakPolarHBondContact O-CA 3.45Å; V162-I176 HydrophobicContact CB-CB 4.01Å; V162-I176 HydrophobicContact CB-CD1 4.22Å; V162-I176 HydrophobicContact CB-CG1 4.32Å; V162-I176 HydrophobicContact CG1-CD1 4.41Å; V162-I176 HydrophobicContact CG2-CB 4.45Å; V162-I176 PolarHBondContact N-O 3.26Å; V162-I176 PolarHBondContact O-N 3Å; V162-I183 HydrophobicContact CG2-CD1 3.6Å; V162-M186 HydrophobicContact CG1-SD 3.82Å; V162-M186 HydrophobicContact CG2-SD 4.09Å; V162-L195 HydrophobicContact CG1-CD2 4.49Å |
| 163 | L | 98.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 136.3 | 171.6 | -63.6 | -176.6 | 0 | 0 | 0 | 109.8 | F154 S155 W165 P172 M175 L426 | F154-L163 WeakPolarHBondContact CA-O 3.2Å; S155-L163 PolarHBondContact N-O 2.83Å; S155-L163 PolarHBondContact O-N 2.81Å; L163-W165 HydrophobicContact CB-CZ2 3.79Å; L163-W165 HydrophobicContact CD1-CH2 3.86Å; L163-W165 HydrophobicContact CD1-CZ2 3.49Å; L163-W165 VanDerWaalsContact CD1-CZ2 3.49Å; L163-W165 HydrophobicContact CG-CZ2 4.28Å; L163-P172 HydrophobicContact CB-CB 4.45Å; L163-M175 HydrophobicContact CD2-CB 4.04Å; L163-M175 HydrophobicContact CD2-CE 4.05Å; L163-M175 HydrophobicContact CD2-CG 3.92Å; L163-L426 HydrophobicContact CD1-CD1 4.32Å; L163-L426 HydrophobicContact CD2-CD1 3.78Å; L163-L426 HydrophobicContact CD2-CD2 4.29Å |
| 164 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 116.4 | 177 | -55.8 | 174.1 | 0 | 0 | 0 | 106.7 | I152 L153 F154 P172 V173 K174 I176 P209 W384 | I152-I164 HydrophobicContact CG2-CG2 4.01Å; L153-I164 WeakPolarHBondContact O-CA 3.24Å; F154-I164 HydrophobicContact CD1-CD1 4.28Å; F154-I164 HydrophobicContact CD1-CG1 3.78Å; F154-I164 HydrophobicContact CD2-CG1 4.27Å; F154-I164 HydrophobicContact CD2-CG2 4.12Å; F154-I164 HydrophobicContact CE1-CD1 3.47Å; F154-I164 VanDerWaalsContact CE1-CD1 3.47Å; F154-I164 HydrophobicContact CE1-CG1 3.46Å; F154-I164 VanDerWaalsContact CE1-CG1 3.46Å; F154-I164 HydrophobicContact CE2-CB 4.33Å; F154-I164 HydrophobicContact CE2-CD1 4.29Å; F154-I164 HydrophobicContact CE2-CG1 3.98Å; F154-I164 HydrophobicContact CE2-CG2 3.64Å; F154-I164 HydrophobicContact CG-CG1 4.18Å; F154-I164 HydrophobicContact CZ-CB 4.36Å; F154-I164 HydrophobicContact CZ-CD1 3.48Å; F154-I164 VanDerWaalsContact CZ-CD1 3.48Å; F154-I164 HydrophobicContact CZ-CG1 3.58Å; F154-I164 HydrophobicContact CZ-CG2 3.94Å; I164-P172 CarbonylContact O-C 3.53Å; I164-P172 WeakPolarHBondContact O-CA 3.47Å; I164-V173 HydrophobicContact CG2-CG2 4.23Å; I164-V173 WeakPolarHBondContact O-CG2 3.48Å; I164-V173 PolarHBondContact O-N 3.23Å; I164-K174 HydrophobicContact CB-CB 3.93Å; I164-K174 HydrophobicContact CD1-CB 3.69Å; I164-K174 HydrophobicContact CG1-CB 4.16Å; I164-K174 PolarHBondContact N-O 2.95Å; I164-K174 PolarHBondContact O-N 3.32Å; I164-I176 HydrophobicContact CD1-CD1 4.42Å; I164-I176 HydrophobicContact CD1-CG1 4.45Å; I164-P209 HydrophobicContact CD1-CB 4.02Å; I164-P209 WeakPolarHBondContact CD1-O 3.31Å; I164-W384 HydrophobicContact CG2-CH2 4.11Å; I164-W384 HydrophobicContact CG2-CZ3 4.02Å |
| 165 | W | 98.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.2 | -175.5 | -50.9 | 88.7 | 0 | 0 | 0 | 110 | L133 H134 I152 L153 S155 L163 L167 P172 | L133-W165 HydrophobicContact CB-CD2 4.13Å; L133-W165 HydrophobicContact CB-CE3 3.81Å; L133-W165 HydrophobicContact CB-CH2 3.98Å; L133-W165 HydrophobicContact CB-CZ2 4.28Å; L133-W165 HydrophobicContact CB-CZ3 3.7Å; L133-W165 HydrophobicContact CD1-CB 4.2Å; L133-W165 HydrophobicContact CD1-CD2 3.91Å; L133-W165 HydrophobicContact CD1-CE3 4.15Å; L133-W165 HydrophobicContact CD1-CG 3.9Å; L133-W165 HydrophobicContact CD2-CD2 4.45Å; L133-W165 HydrophobicContact CD2-CE3 3.86Å; L133-W165 HydrophobicContact CD2-CZ3 4.32Å; L133-W165 HydrophobicContact CG-CD2 4.39Å; L133-W165 HydrophobicContact CG-CE3 4.15Å; L133-W165 HydrophobicContact CG-CZ3 4.49Å; H134-W165 WeakPolarHBondContact O-CH2 3.32Å; I152-W165 WeakPolarHBondContact CA-O 3.44Å; L153-W165 HydrophobicContact CB-CB 4.35Å; L153-W165 PolarHBondContact N-O 3.34Å; L153-W165 VanDerWaalsContact N-O 3.1Å; L153-W165 VanDerWaalsContact O-CD1 3.31Å; L153-W165 PolarHBondContact O-N 3.19Å; S155-W165 PolarHBondContact OG-NE1 3.03Å; L163-W165 HydrophobicContact CB-CZ2 3.79Å; L163-W165 HydrophobicContact CD1-CH2 3.86Å; L163-W165 HydrophobicContact CD1-CZ2 3.49Å; L163-W165 VanDerWaalsContact CD1-CZ2 3.49Å; L163-W165 HydrophobicContact CG-CZ2 4.28Å; W165-L167 HydrophobicContact CB-CD2 3.99Å; W165-P172 HydrophobicContact CD2-CB 4.24Å; W165-P172 HydrophobicContact CE3-CB 3.84Å; W165-P172 HydrophobicContact CE3-CG 4.19Å; W165-P172 HydrophobicContact CH2-CB 4.24Å; W165-P172 HydrophobicContact CH2-CG 4.25Å; W165-P172 HydrophobicContact CZ3-CB 3.88Å; W165-P172 HydrophobicContact CZ3-CG 3.81Å |
| 166 | N | 95.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 112.4 | 160.7 | -179.3 | -4.4 | 0 | 0 | 0 | 107.7 | I152 D168 V169 G170 E171 V173 | I152-N166 HydrophobicContact CD1-CB 4.2Å; N166-D168 VanDerWaalsContact C-N 3.26Å; N166-D168 PolarHBondContact O-N 2.8Å; N166-D168 WeakPolarHBondContact OD1-CB 3.37Å; N166-D168 PolarHBondContact OD1-N 2.9Å; N166-V169 HydrophobicContact CB-CG2 3.86Å; N166-V169 PolarHBondContact O-N 2.79Å; N166-G170 PolarHBondContact O-N 3.36Å; N166-E171 PolarHBondContact N-O 2.79Å; N166-E171 VanDerWaalsContact N-O 3.13Å; N166-V173 HydrophobicContact CB-CG1 3.58Å; N166-V173 HydrophobicContact CB-CG2 4.09Å |
| 167 | L | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15.7 | -177.5 | -53.1 | -172.2 | 0 | 0 | 0 | 113 | I114 L131 L133 W145 N151 L153 W165 V169 F409 P412 | I114-L167 HydrophobicContact CD1-CD1 4.05Å; I114-L167 HydrophobicContact CD1-CD2 4.49Å; I114-L167 HydrophobicContact CG1-CD1 4.17Å; I114-L167 HydrophobicContact CG1-CD2 4.43Å; L131-L167 HydrophobicContact CD2-CB 4.33Å; L131-L167 HydrophobicContact CD2-CD2 4.09Å; L133-L167 HydrophobicContact CD1-CD2 3.64Å; L133-L167 HydrophobicContact CD2-CD2 4.2Å; W145-L167 HydrophobicContact CH2-CD1 3.54Å; W145-L167 HydrophobicContact CZ3-CD1 3.41Å; W145-L167 VanDerWaalsContact CZ3-CD1 3.41Å; N151-L167 HydrophobicContact CB-CB 3.96Å; N151-L167 WeakPolarHBondContact O-CG 3.37Å; N151-L167 PolarHBondContact O-N 2.63Å; L153-L167 HydrophobicContact CB-CD2 4.38Å; W165-L167 HydrophobicContact CB-CD2 3.99Å; L167-V169 VanDerWaalsContact C-N 3.25Å; L167-V169 PolarHBondContact O-N 2.88Å; L167-F409 HydrophobicContact CB-CE2 3.76Å; L167-F409 HydrophobicContact CB-CZ 3.96Å; L167-F409 HydrophobicContact CD1-CE2 3.77Å; L167-F409 HydrophobicContact CD1-CZ 4.27Å; L167-F409 HydrophobicContact CG-CE2 4.44Å; L167-P412 WeakPolarHBondContact O-CD 3.42Å |
| 168 | D | 92.9 | Very high | 95.1 | Very high | 76 Ų | 76 | 30.2 Ų | 30.2 | 41% | 0.406 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -27.4 | 173.4 | -69.7 | -23 | 0 | 0 | 0 | 112.1 | N151 N166 P381 P412 | N151-D168 PolarHBondContact ND2-OD1 3.34Å; N166-D168 VanDerWaalsContact C-N 3.26Å; N166-D168 PolarHBondContact O-N 2.8Å; N166-D168 WeakPolarHBondContact OD1-CB 3.37Å; N166-D168 PolarHBondContact OD1-N 2.9Å; D168-P381 WeakPolarHBondContact OD2-CG 3.48Å; D168-P412 WeakPolarHBondContact O-CB 3.49Å |
| 169 | V | 90.1 | Very high | 95.1 | Very high | 76 Ų | 76 | 29.3 Ų | 29.3 | 46% | 0.461 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -17.8 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | N166 L167 E171 V173 | N166-V169 HydrophobicContact CB-CG2 3.86Å; N166-V169 PolarHBondContact O-N 2.79Å; L167-V169 VanDerWaalsContact C-N 3.25Å; L167-V169 PolarHBondContact O-N 2.88Å; V169-E171 VanDerWaalsContact C-N 3.32Å; V169-E171 HydrophobicContact CG2-CB 4.2Å; V169-V173 HydrophobicContact CG2-CG1 4.28Å |
| 170 | G | 87.6 | Confident | 95.2 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 19.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N166 | N166-G170 PolarHBondContact O-N 3.36Š|
| 171 | E | 85.6 | Confident | 95.2 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.7 | -174.9 | -66.5 | -176.1 | 168 | 0 | 0 | 110.9 | N166 V169 V173 V419 | N166-E171 PolarHBondContact N-O 2.79Å; N166-E171 VanDerWaalsContact N-O 3.13Å; V169-E171 VanDerWaalsContact C-N 3.32Å; V169-E171 HydrophobicContact CG2-CB 4.2Å; E171-V173 PolarHBondContact O-N 2.82Å; E171-V419 HydrophobicContact CB-CG1 4.28Å; E171-V419 HydrophobicContact CB-CG2 4.33Å; E171-V419 VanDerWaalsContact CD-CG2 3.47Å; E171-V419 HydrophobicContact CG-CG2 3.81Å; E171-V419 WeakPolarHBondContact OE1-CG2 3.26Å |
| 172 | P | 93.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.7 | 168 | 30.6 | -31 | 0 | 0 | 0 | 108.5 | L163 I164 W165 V419 V421 L426 | L163-P172 HydrophobicContact CB-CB 4.45Å; I164-P172 CarbonylContact O-C 3.53Å; I164-P172 WeakPolarHBondContact O-CA 3.47Å; W165-P172 HydrophobicContact CD2-CB 4.24Å; W165-P172 HydrophobicContact CE3-CB 3.84Å; W165-P172 HydrophobicContact CE3-CG 4.19Å; W165-P172 HydrophobicContact CH2-CB 4.24Å; W165-P172 HydrophobicContact CH2-CG 4.25Å; W165-P172 HydrophobicContact CZ3-CB 3.88Å; W165-P172 HydrophobicContact CZ3-CG 3.81Å; P172-V419 HydrophobicContact CG-CG1 3.71Å; P172-V421 HydrophobicContact CB-CG2 4.21Å; P172-V421 HydrophobicContact CG-CG2 4.05Å; P172-V421 WeakPolarHBondContact O-CG2 3.37Å; P172-L426 HydrophobicContact CB-CD1 3.85Å; P172-L426 HydrophobicContact CG-CD1 3.38Å |
| 173 | V | 94.3 | Very high | 95.2 | Very high | 44 Ų | 44 | 31.6 Ų | 31.6 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -21.9 | -178 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | I164 N166 V169 E171 L385 | I164-V173 HydrophobicContact CG2-CG2 4.23Å; I164-V173 WeakPolarHBondContact O-CG2 3.48Å; I164-V173 PolarHBondContact O-N 3.23Å; N166-V173 HydrophobicContact CB-CG1 3.58Å; N166-V173 HydrophobicContact CB-CG2 4.09Å; V169-V173 HydrophobicContact CG2-CG1 4.28Å; E171-V173 PolarHBondContact O-N 2.82Å; V173-L385 HydrophobicContact CG2-CD1 4.22Å; V173-L385 HydrophobicContact CG2-CD2 3.85Å |
| 174 | K | 94.6 | Very high | 95.2 | Very high | 70 Ų | 70 | 33.3 Ų | 33.3 | 30% | 0.304 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 157.9 | 176.3 | -63.2 | -67.8 | -177.6 | 171.1 | 0 | 110.9 | I164 R210 L385 | I164-K174 HydrophobicContact CB-CB 3.93Å; I164-K174 HydrophobicContact CD1-CB 3.69Å; I164-K174 HydrophobicContact CG1-CB 4.16Å; I164-K174 PolarHBondContact N-O 2.95Å; I164-K174 PolarHBondContact O-N 3.32Å; K174-R210 VanDerWaalsContact CD-O 3.31Å; K174-R210 WeakPolarHBondContact CD-O 3.4Å; K174-R210 VanDerWaalsContact CE-O 3.29Å; K174-R210 WeakPolarHBondContact CE-O 3.31Å; K174-R210 PolarHBondContact NZ-O 2.79Å; K174-L385 HydrophobicContact CG-CD2 4.49Å |
| 175 | M | 95.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 136.3 | 178 | 178.3 | -168.4 | -52.9 | 0 | 0 | 109.8 | K161 V162 L163 D177 V421 N422 I424 L426 | K161-M175 HydrophobicContact CD-CE 4.43Å; K161-M175 HydrophobicContact CD-CG 4.43Å; K161-M175 HydrophobicContact CD-SD 3.74Å; K161-M175 HydrophobicContact CG-SD 4.41Å; V162-M175 WeakPolarHBondContact O-CA 3.45Å; L163-M175 HydrophobicContact CD2-CB 4.04Å; L163-M175 HydrophobicContact CD2-CE 4.05Å; L163-M175 HydrophobicContact CD2-CG 3.92Å; M175-D177 HydrophobicContact CG-CB 4.34Å; M175-D177 HydrophobicContact SD-CB 4.12Å; M175-V421 HydrophobicContact CB-CG1 3.79Å; M175-V421 HydrophobicContact CE-CB 4.44Å; M175-N422 PolarHBondContact O-ND2 3.32Å; M175-I424 HydrophobicContact CE-CB 4.47Å; M175-I424 HydrophobicContact CE-CD1 4.41Å; M175-I424 HydrophobicContact SD-CD1 4.16Å; M175-L426 HydrophobicContact CE-CD1 3.85Å; M175-L426 HydrophobicContact CE-CD2 3.27Å; M175-L426 HydrophobicContact CE-CG 3.76Å |
| 176 | I | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.9 | 168.2 | -49.3 | 174.7 | 0 | 0 | 0 | 107.3 | K161 V162 I164 L195 I207 P209 | K161-I176 WeakPolarHBondContact CA-O 3.34Å; V162-I176 HydrophobicContact CB-CB 4.01Å; V162-I176 HydrophobicContact CB-CD1 4.22Å; V162-I176 HydrophobicContact CB-CG1 4.32Å; V162-I176 HydrophobicContact CG1-CD1 4.41Å; V162-I176 HydrophobicContact CG2-CB 4.45Å; V162-I176 PolarHBondContact N-O 3.26Å; V162-I176 PolarHBondContact O-N 3Å; I164-I176 HydrophobicContact CD1-CD1 4.42Å; I164-I176 HydrophobicContact CD1-CG1 4.45Å; I176-L195 HydrophobicContact CD1-CD2 3.91Å; I176-I207 HydrophobicContact CD1-CG2 4.13Å; I176-I207 HydrophobicContact CG2-CD1 4.08Å; I176-I207 HydrophobicContact CG2-CG2 4.22Å; I176-P209 HydrophobicContact CD1-CB 4.18Å |
| 177 | D | 95.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 34.9 Ų | 34.9 | 46% | 0.46 | 20% | 0.198 | S | C | . | . | trans | -128.6 | 46.9 | -173.9 | -160.5 | 7.5 | 0 | 0 | 0 | 110.6 | K161 M175 | K161-D177 VanDerWaalsContact CE-OD2 3.26Å; K161-D177 WeakPolarHBondContact CE-OD2 3.12Å; K161-D177 IonicContact NZ-OD2 2.69Å; K161-D177 PolarHBondContact NZ-OD2 3.45Å; M175-D177 HydrophobicContact CG-CB 4.34Å; M175-D177 HydrophobicContact SD-CB 4.12Å | ||
| 178 | C | 96.2 | Very high | 95.5 | Very high | 37 Ų | 37 | 36.1 Ų | 36.1 | 25% | 0.25 | 20% | 0.204 | C | C | . | . | trans | -103.8 | -5.2 | -179.4 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | R205 V214 | C178-R205 PolarHBondContact O-NH2 3.46Å; C178-V214 HydrophobicContact CB-CG2 3.82Å | ||
| 179 | H | 98.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.032 | 19% | 0.189 | C | C | . | . | trans | -96 | 141.5 | -176.1 | -53.8 | 83.4 | 0 | 0 | 0 | 110.4 | Y160 I183 T197 | Y160-H179 WeakPolarHBondContact O-CB 3.23Å; H179-I183 HydrophobicContact CB-CD1 4.37Å; H179-I183 HydrophobicContact CB-CG1 4.09Å; H179-T197 PolarHBondContact NE2-OG1 3.28Å | ||
| 180 | T | 97.4 | Very high | 96 | Very high | 105 Ų | 105 | 31.4 Ų | 31.4 | 64% | 0.644 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -110.1 | 4.1 | -178.2 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 181 | D | 98.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 31.9 Ų | 31.9 | 25% | 0.251 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -156.2 | -177.1 | 177.2 | -155.4 | -12.9 | 0 | 0 | 0 | 110.4 | Y160 I183 C199 K200 D201 | Y160-D181 WeakPolarHBondContact CD1-O 3.42Å; Y160-D181 PolarHBondContact OH-OD1 2.94Å; D181-I183 PolarHBondContact O-N 3.14Å; D181-C199 PolarHBondContact O-SG 2.94Å; D181-K200 HydrophobicContact CB-CB 3.94Å; D181-K200 VanDerWaalsContact CG-CB 3.5Å; D181-K200 VanDerWaalsContact OD2-CB 3.27Å; D181-K200 WeakPolarHBondContact OD2-CB 3.34Å; D181-D201 HydrophobicContact CB-CB 4.15Å |
| 182 | V | 97.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 29 Ų | 29 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | trans | -57.2 | 124.9 | -174.8 | -179 | 0 | 0 | 0 | 0 | 110.8 | Y158 Y160 L184 C199 K200 | Y158-V182 HydrophobicContact CD1-CG1 4.41Å; Y158-V182 HydrophobicContact CD1-CG2 3.77Å; Y158-V182 HydrophobicContact CD2-CG1 4.42Å; Y158-V182 HydrophobicContact CE1-CG1 4Å; Y158-V182 HydrophobicContact CE1-CG2 3.78Å; Y158-V182 HydrophobicContact CE2-CG1 4.03Å; Y158-V182 HydrophobicContact CG-CG2 4.41Å; Y160-V182 HydrophobicContact CD1-CG2 4.43Å; Y160-V182 VanDerWaalsContact CD1-N 3.31Å; Y160-V182 HydrophobicContact CE1-CB 4.31Å; Y160-V182 HydrophobicContact CE1-CG2 3.68Å; V182-L184 HydrophobicContact CG1-CD2 4.33Å; V182-C199 WeakPolarHBondContact O-CA 3.31Å; V182-C199 PolarHBondContact O-SG 3.25Å; V182-K200 HydrophobicContact CB-CB 4.43Å; V182-K200 HydrophobicContact CB-CD 3.94Å; V182-K200 HydrophobicContact CB-CG 4.05Å; V182-K200 HydrophobicContact CG2-CD 4.22Å; V182-K200 PolarHBondContact O-N 3.4Å | ||
| 183 | I | 98.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 126.2 | 170 | -58.3 | 159 | 0 | 0 | 0 | 108.2 | L142 A156 V162 H179 D181 M186 | L142-I183 HydrophobicContact CD1-CG2 3.97Å; A156-I183 HydrophobicContact CB-CB 4.16Å; A156-I183 HydrophobicContact CB-CD1 3.93Å; A156-I183 HydrophobicContact CB-CG2 4.18Å; V162-I183 HydrophobicContact CG2-CD1 3.6Å; H179-I183 HydrophobicContact CB-CD1 4.37Å; H179-I183 HydrophobicContact CB-CG1 4.09Å; D181-I183 PolarHBondContact O-N 3.14Å; I183-M186 HydrophobicContact CG2-CG 4.21Å |
| 184 | L | 98.2 | Very high | 97.5 | Very high | 36 Ų | 36 | 28.4 Ų | 28.4 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -27.3 | -172.4 | -63 | 175.4 | 0 | 0 | 0 | 113 | V182 T198 K200 N226 R227 | V182-L184 HydrophobicContact CG1-CD2 4.33Å; L184-T198 PolarHBondContact N-O 3.38Å; L184-K200 HydrophobicContact CD1-CG 3.96Å; L184-K200 HydrophobicContact CD2-CD 4.41Å; L184-K200 HydrophobicContact CD2-CG 3.73Å; L184-K200 HydrophobicContact CG-CG 4Å; L184-N226 WeakPolarHBondContact CB-O 3.5Å; L184-R227 PolarHBondContact O-NH1 3.28Å |
| 185 | C | 98.5 | Very high | 97.7 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 10% | 0.095 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 147.2 | -178.8 | -167.8 | 0 | 0 | 0 | 0 | 110.1 | T197 T198 V228 | C185-T197 WeakPolarHBondContact O-CA 3.34Å; C185-T198 VanDerWaalsContact CB-OG1 3.25Å; C185-T198 WeakPolarHBondContact CB-OG1 3.39Å; C185-T198 PolarHBondContact N-OG1 2.94Å; C185-T198 PolarHBondContact O-N 3.32Å; C185-V228 HydrophobicContact CB-CG1 4.32Å; C185-V228 PolarHBondContact SG-O 2.83Å |
| 186 | M | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.2 | 170.6 | -68.5 | -168.9 | -58.4 | 0 | 0 | 107.6 | L142 E144 F154 A156 V162 I183 L195 T196 T197 | L142-M186 HydrophobicContact CB-CE 3.79Å; L142-M186 HydrophobicContact CD1-CG 4.21Å; E144-M186 HydrophobicContact CB-CE 4.29Å; E144-M186 HydrophobicContact CG-CB 4.16Å; E144-M186 HydrophobicContact CG-CE 4.12Å; F154-M186 HydrophobicContact CB-CE 4.35Å; A156-M186 HydrophobicContact CB-CE 4.1Å; A156-M186 HydrophobicContact CB-SD 3.87Å; V162-M186 HydrophobicContact CG1-SD 3.82Å; V162-M186 HydrophobicContact CG2-SD 4.09Å; I183-M186 HydrophobicContact CG2-CG 4.21Å; M186-L195 HydrophobicContact CB-CD1 4.17Å; M186-T196 WeakPolarHBondContact CA-O 3.49Å; M186-T197 HydrophobicContact CG-CG2 4.22Å |
| 187 | S | 98.4 | Very high | 97.9 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 136.1 | 172.7 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | T196 V228 V229 F230 | S187-T196 PolarHBondContact N-O 2.93Å; S187-T196 WeakPolarHBondContact O-CG2 3.41Å; S187-T196 PolarHBondContact O-N 2.92Å; S187-V228 WeakPolarHBondContact CB-O 3.2Å; S187-V229 WeakPolarHBondContact OG-CA 3.21Å; S187-F230 WeakPolarHBondContact O-CD2 3.47Å; S187-F230 WeakPolarHBondContact O-CE2 3.2Å; S187-F230 PolarHBondContact OG-N 2.84Å; S187-F230 VanDerWaalsContact OG-N 3.11Å |
| 188 | F | 98.3 | Very high | 98 | Very high | 27 Ų | 27 | 20.7 Ų | 20.7 | 12% | 0.118 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 148.4 | 173.8 | -76.4 | -77.3 | 0 | 0 | 0 | 111.4 | E144 P147 F154 L195 F230 | E144-F188 HydrophobicContact CB-CD2 4.49Å; E144-F188 HydrophobicContact CB-CE2 4.07Å; P147-F188 HydrophobicContact CG-CB 3.93Å; P147-F188 HydrophobicContact CG-CG 4.26Å; F154-F188 HydrophobicContact CB-CZ 4.41Å; F154-F188 HydrophobicContact CD1-CE1 4.49Å; F154-F188 AromaticContact CD1-CZ 3.75Å; F154-F188 HydrophobicContact CD1-CZ 3.75Å; F154-F188 HydrophobicContact CD2-CE1 4.5Å; F154-F188 HydrophobicContact CD2-CE2 4.27Å; F154-F188 AromaticContact CD2-CZ 3.54Å; F154-F188 HydrophobicContact CD2-CZ 3.54Å; F154-F188 HydrophobicContact CE1-CE1 4.06Å; F154-F188 AromaticContact CE1-CZ 3.74Å; F154-F188 HydrophobicContact CE1-CZ 3.74Å; F154-F188 HydrophobicContact CE2-CE1 4.08Å; F154-F188 AromaticContact CE2-CZ 3.53Å; F154-F188 HydrophobicContact CE2-CZ 3.53Å; F154-F188 HydrophobicContact CG-CE2 4.26Å; F154-F188 AromaticContact CG-CZ 3.65Å; F154-F188 HydrophobicContact CG-CZ 3.65Å; F154-F188 AromaticContact CZ-CE1 3.84Å; F154-F188 HydrophobicContact CZ-CE1 3.84Å; F154-F188 AromaticContact CZ-CZ 3.63Å; F154-F188 HydrophobicContact CZ-CZ 3.63Å; F188-L195 HydrophobicContact CD1-CD1 4.11Å; F188-L195 HydrophobicContact CD2-CD1 4.3Å; F188-L195 HydrophobicContact CE1-CB 4.39Å; F188-L195 HydrophobicContact CE1-CD1 3.88Å; F188-L195 HydrophobicContact CE2-CD1 4.07Å; F188-L195 HydrophobicContact CG-CD1 4.31Å; F188-L195 HydrophobicContact CZ-CD1 3.84Å; F188-F230 WeakPolarHBondContact O-CB 3.42Å; F188-F230 WeakPolarHBondContact O-CD2 3.33Å |
| 189 | N | 97.8 | Very high | 98.1 | Very high | 20 Ų | 20 | 19 Ų | 19 | 11% | 0.107 | 11% | 0.109 | C | C | . | . | trans | -72.6 | 173.5 | 159.8 | 73 | -29.5 | 0 | 0 | 0 | 110.3 | D191 G192 S193 L194 F230 | N189-D191 VanDerWaalsContact CG-OD1 3.25Å; N189-D191 PolarHBondContact ND2-OD1 2.99Å; N189-D191 PolarHBondContact O-N 2.94Å; N189-D191 PolarHBondContact OD1-OD1 2.96Å; N189-G192 PolarHBondContact O-N 3.47Å; N189-G192 VanDerWaalsContact O-N 3.12Å; N189-G192 WeakPolarHBondContact OD1-CA 3.46Å; N189-G192 PolarHBondContact OD1-N 3.04Å; N189-S193 PolarHBondContact ND2-OG 2.76Å; N189-S193 VanDerWaalsContact ND2-OG 3.11Å; N189-S193 PolarHBondContact OD1-N 2.82Å; N189-L194 HydrophobicContact CB-CB 4.28Å; N189-L194 PolarHBondContact N-O 2.83Å; N189-L194 VanDerWaalsContact N-O 3.15Å; N189-L194 PolarHBondContact OD1-N 2.81Å; N189-L194 PolarHBondContact OD1-O 3.5Å; N189-L194 VanDerWaalsContact OD1-O 3.1Å; N189-F230 HydrophobicContact CB-CB 4.43Å; N189-F230 HydrophobicContact CB-CD1 3.64Å; N189-F230 HydrophobicContact CB-CD2 4.02Å; N189-F230 HydrophobicContact CB-CE1 3.76Å; N189-F230 HydrophobicContact CB-CE2 4.07Å; N189-F230 HydrophobicContact CB-CG 3.8Å; N189-F230 HydrophobicContact CB-CZ 3.97Å | ||
| 190 | T | 96.6 | Very high | 98.1 | Very high | 32 Ų | 32 | 24 Ų | 24 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -41.3 | -170.2 | -62.8 | 0 | 0 | 0 | 0 | 114.6 | T148 G232 N233 P392 | T148-T190 WeakPolarHBondContact CG2-O 3.18Å; T190-G232 VanDerWaalsContact OG1-C 3.28Å; T190-G232 VanDerWaalsContact OG1-CA 3.24Å; T190-G232 WeakPolarHBondContact OG1-CA 3.48Å; T190-N233 WeakPolarHBondContact CB-OD1 3.2Å; T190-N233 WeakPolarHBondContact CG2-OD1 3.47Å; T190-N233 PolarHBondContact OG1-OD1 3.4Å; T190-N233 VanDerWaalsContact OG1-OD1 3.12Å; T190-P392 HydrophobicContact CG2-CG 3.92Å; T190-P392 WeakPolarHBondContact O-CG 3.4Å |
| 191 | D | 97.3 | Very high | 98 | Very high | 27 Ų | 27 | 20.3 Ų | 20.3 | 14% | 0.144 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -3.9 | -179 | 71.9 | -13.2 | 0 | 0 | 0 | 113.6 | T148 N189 S193 | T148-D191 PolarHBondContact OG1-O 2.76Å; N189-D191 VanDerWaalsContact CG-OD1 3.25Å; N189-D191 PolarHBondContact ND2-OD1 2.99Å; N189-D191 PolarHBondContact O-N 2.94Å; N189-D191 PolarHBondContact OD1-OD1 2.96Å; D191-S193 VanDerWaalsContact CG-OG 3.23Å; D191-S193 PolarHBondContact O-N 3.26Å; D191-S193 VanDerWaalsContact OD1-CB 3.25Å; D191-S193 WeakPolarHBondContact OD1-CB 3.3Å; D191-S193 PolarHBondContact OD1-N 2.87Å; D191-S193 PolarHBondContact OD1-OG 3.33Å; D191-S193 WeakPolarHBondContact OD2-CB 3.41Å; D191-S193 PolarHBondContact OD2-OG 3.19Å; D191-S193 VanDerWaalsContact OD2-OG 3.06Å |
| 192 | G | 97.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 72.5 | 9.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | H146 N189 L194 | H146-G192 WeakPolarHBondContact NE2-CA 3.47Å; H146-G192 PolarHBondContact NE2-O 3.29Å; H146-G192 VanDerWaalsContact NE2-O 3.09Å; N189-G192 PolarHBondContact O-N 3.47Å; N189-G192 VanDerWaalsContact O-N 3.12Å; N189-G192 WeakPolarHBondContact OD1-CA 3.46Å; N189-G192 PolarHBondContact OD1-N 3.04Å; G192-L194 VanDerWaalsContact C-N 3.27Å; G192-L194 PolarHBondContact O-N 3.36Å |
| 193 | S | 97.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 11% | 0.105 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -72.5 | -19.5 | 178 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | N189 D191 P209 N389 | N189-S193 PolarHBondContact ND2-OG 2.76Å; N189-S193 VanDerWaalsContact ND2-OG 3.11Å; N189-S193 PolarHBondContact OD1-N 2.82Å; D191-S193 VanDerWaalsContact CG-OG 3.23Å; D191-S193 PolarHBondContact O-N 3.26Å; D191-S193 VanDerWaalsContact OD1-CB 3.25Å; D191-S193 WeakPolarHBondContact OD1-CB 3.3Å; D191-S193 PolarHBondContact OD1-N 2.87Å; D191-S193 PolarHBondContact OD1-OG 3.33Å; D191-S193 WeakPolarHBondContact OD2-CB 3.41Å; D191-S193 PolarHBondContact OD2-OG 3.19Å; D191-S193 VanDerWaalsContact OD2-OG 3.06Å; S193-P209 WeakPolarHBondContact O-CD 3.43Å; S193-N389 VanDerWaalsContact CB-CG 3.46Å; S193-N389 WeakPolarHBondContact CB-ND2 3.27Å; S193-N389 WeakPolarHBondContact CB-OD1 3.48Å |
| 194 | L | 98.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 25.1 Ų | 25.1 | 13% | 0.131 | 12% | 0.124 | C | C | . | . | trans | -128 | 140.2 | 178.9 | -60.7 | 177.3 | 0 | 0 | 0 | 111.2 | N189 G192 V206 L215 F230 | N189-L194 HydrophobicContact CB-CB 4.28Å; N189-L194 PolarHBondContact N-O 2.83Å; N189-L194 VanDerWaalsContact N-O 3.15Å; N189-L194 PolarHBondContact OD1-N 2.81Å; N189-L194 PolarHBondContact OD1-O 3.5Å; N189-L194 VanDerWaalsContact OD1-O 3.1Å; G192-L194 VanDerWaalsContact C-N 3.27Å; G192-L194 PolarHBondContact O-N 3.36Å; L194-V206 HydrophobicContact CB-CG1 4.36Å; L194-V206 HydrophobicContact CD1-CG1 4.1Å; L194-V206 HydrophobicContact CD2-CG1 4.22Å; L194-V206 HydrophobicContact CG-CG1 4.48Å; L194-L215 HydrophobicContact CD2-CD1 3.5Å; L194-L215 VanDerWaalsContact CD2-CD1 3.5Å; L194-F230 HydrophobicContact CB-CE1 4.44Å; L194-F230 HydrophobicContact CB-CE2 4.44Å; L194-F230 HydrophobicContact CB-CZ 3.77Å | ||
| 195 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.6 | 170.5 | -176.9 | 74.2 | 0 | 0 | 0 | 108.9 | F154 V162 I176 M186 F188 T197 I207 P209 | F154-L195 HydrophobicContact CD1-CD2 4.03Å; F154-L195 HydrophobicContact CE1-CD2 4.07Å; V162-L195 HydrophobicContact CG1-CD2 4.49Å; I176-L195 HydrophobicContact CD1-CD2 3.91Å; M186-L195 HydrophobicContact CB-CD1 4.17Å; F188-L195 HydrophobicContact CD1-CD1 4.11Å; F188-L195 HydrophobicContact CD2-CD1 4.3Å; F188-L195 HydrophobicContact CE1-CB 4.39Å; F188-L195 HydrophobicContact CE1-CD1 3.88Å; F188-L195 HydrophobicContact CE2-CD1 4.07Å; F188-L195 HydrophobicContact CG-CD1 4.31Å; F188-L195 HydrophobicContact CZ-CD1 3.84Å; L195-T197 HydrophobicContact CD2-CG2 3.86Å; L195-T197 HydrophobicContact CG-CG2 4.02Å; L195-I207 PolarHBondContact N-O 3.31Å; L195-I207 PolarHBondContact O-N 3.31Å; L195-P209 HydrophobicContact CB-CB 4.41Å |
| 196 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 141.7 | 168.7 | -169.4 | 0 | 0 | 0 | 0 | 110.2 | M186 S187 R205 V228 F230 L237 | M186-T196 WeakPolarHBondContact CA-O 3.49Å; S187-T196 PolarHBondContact N-O 2.93Å; S187-T196 WeakPolarHBondContact O-CG2 3.41Å; S187-T196 PolarHBondContact O-N 2.92Å; T196-R205 CarbonylContact C-O 3.59Å; T196-R205 WeakPolarHBondContact CA-O 3.28Å; T196-R205 PolarHBondContact OG1-O 3.24Å; T196-R205 VanDerWaalsContact OG1-O 3.13Å; T196-V228 HydrophobicContact CG2-CB 4.22Å; T196-V228 HydrophobicContact CG2-CG1 3.64Å; T196-V228 HydrophobicContact CG2-CG2 3.56Å; T196-F230 HydrophobicContact CG2-CD2 3.53Å; T196-F230 HydrophobicContact CG2-CE2 3.41Å; T196-F230 VanDerWaalsContact CG2-CE2 3.41Å; T196-F230 HydrophobicContact CG2-CG 4.47Å; T196-F230 HydrophobicContact CG2-CZ 4.22Å; T196-L237 HydrophobicContact CG2-CD2 4.05Å |
| 197 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 145.4 | -177.5 | 60.9 | 0 | 0 | 0 | 0 | 111.4 | H179 C185 M186 L195 L204 R205 I207 | H179-T197 PolarHBondContact NE2-OG1 3.28Å; C185-T197 WeakPolarHBondContact O-CA 3.34Å; M186-T197 HydrophobicContact CG-CG2 4.22Å; L195-T197 HydrophobicContact CD2-CG2 3.86Å; L195-T197 HydrophobicContact CG-CG2 4.02Å; T197-L204 WeakPolarHBondContact O-CA 3.33Å; T197-R205 PolarHBondContact N-O 2.85Å; T197-R205 PolarHBondContact O-N 3.44Å; T197-I207 HydrophobicContact CG2-CD1 4.15Å |
| 198 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.3 | 170.7 | 56.5 | 0 | 0 | 0 | 0 | 109.1 | L184 C185 L204 V225 N226 V228 | L184-T198 PolarHBondContact N-O 3.38Å; C185-T198 VanDerWaalsContact CB-OG1 3.25Å; C185-T198 WeakPolarHBondContact CB-OG1 3.39Å; C185-T198 PolarHBondContact N-OG1 2.94Å; C185-T198 PolarHBondContact O-N 3.32Å; T198-L204 HydrophobicContact CG2-CD1 3.73Å; T198-V225 HydrophobicContact CG2-CB 4.16Å; T198-V225 HydrophobicContact CG2-CG1 3.22Å; T198-N226 PolarHBondContact OG1-O 2.67Å; T198-V228 HydrophobicContact CG2-CB 3.63Å; T198-V228 HydrophobicContact CG2-CG1 3.49Å; T198-V228 VanDerWaalsContact CG2-CG1 3.49Å |
| 199 | C | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.2 | -171.7 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | D181 V182 D201 K202 K203 | D181-C199 PolarHBondContact O-SG 2.94Å; V182-C199 WeakPolarHBondContact O-CA 3.31Å; V182-C199 PolarHBondContact O-SG 3.25Å; C199-D201 WeakPolarHBondContact CB-OD1 3.49Å; C199-D201 PolarHBondContact O-N 3.24Å; C199-D201 PolarHBondContact SG-N 3.17Å; C199-D201 PolarHBondContact SG-OD1 3.1Å; C199-D201 VanDerWaalsContact SG-OD1 3.34Å; C199-K202 PolarHBondContact O-N 3.3Å; C199-K203 PolarHBondContact N-O 3.13Å |
| 200 | K | 97 | Very high | 97.8 | Very high | 112 Ų | 112 | 22.3 Ų | 22.3 | 49% | 0.487 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.3 | 175.5 | -77.6 | -162.9 | 178.6 | -174.6 | 0 | 113.9 | D181 V182 L184 K202 | D181-K200 HydrophobicContact CB-CB 3.94Å; D181-K200 VanDerWaalsContact CG-CB 3.5Å; D181-K200 VanDerWaalsContact OD2-CB 3.27Å; D181-K200 WeakPolarHBondContact OD2-CB 3.34Å; V182-K200 HydrophobicContact CB-CB 4.43Å; V182-K200 HydrophobicContact CB-CD 3.94Å; V182-K200 HydrophobicContact CB-CG 4.05Å; V182-K200 HydrophobicContact CG2-CD 4.22Å; V182-K200 PolarHBondContact O-N 3.4Å; L184-K200 HydrophobicContact CD1-CG 3.96Å; L184-K200 HydrophobicContact CD2-CD 4.41Å; L184-K200 HydrophobicContact CD2-CG 3.73Å; L184-K200 HydrophobicContact CG-CG 4Å; K200-K202 PolarHBondContact O-N 2.79Å |
| 201 | D | 96.6 | Very high | 97.7 | Very high | 28 Ų | 28 | 24.4 Ų | 24.4 | 15% | 0.15 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -0.1 | 167.6 | 72.6 | 1.8 | 0 | 0 | 0 | 113.4 | D181 C199 K203 R205 | D181-D201 HydrophobicContact CB-CB 4.15Å; C199-D201 WeakPolarHBondContact CB-OD1 3.49Å; C199-D201 PolarHBondContact O-N 3.24Å; C199-D201 PolarHBondContact SG-N 3.17Å; C199-D201 PolarHBondContact SG-OD1 3.1Å; C199-D201 VanDerWaalsContact SG-OD1 3.34Å; D201-K203 VanDerWaalsContact C-N 3.3Å; D201-K203 VanDerWaalsContact OD1-CB 3.3Å; D201-K203 WeakPolarHBondContact OD1-CB 3.28Å; D201-K203 PolarHBondContact OD1-N 2.92Å; D201-R205 IonicContact OD1-NH1 3.51Å; D201-R205 PolarHBondContact OD1-NH1 3Å; D201-R205 IonicContact OD2-CZ 3.67Å; D201-R205 VanDerWaalsContact OD2-CZ 3.25Å; D201-R205 IonicContact OD2-NH1 3.65Å; D201-R205 PolarHBondContact OD2-NH1 3.11Å; D201-R205 IonicContact OD2-NH2 2.81Å; D201-R205 PolarHBondContact OD2-NH2 3.33Å |
| 202 | K | 96.3 | Very high | 97.5 | Very high | 109 Ų | 109 | 24 Ų | 24 | 47% | 0.474 | 12% | 0.123 | S | C | . | . | S | Bend | trans | 70.7 | 20.1 | 179 | -49.8 | 175 | -176.7 | 174.4 | 0 | 113.7 | C199 K200 C220 | C199-K202 PolarHBondContact O-N 3.3Å; K200-K202 PolarHBondContact O-N 2.79Å; K202-C220 PolarHBondContact O-N 3.35Å |
| 203 | K | 97.6 | Very high | 97.5 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 24% | 0.235 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 142.1 | 177.8 | -64 | 170.1 | 166 | -156.8 | 0 | 112.2 | C199 D201 E217 A218 | C199-K203 PolarHBondContact N-O 3.13Å; D201-K203 VanDerWaalsContact C-N 3.3Å; D201-K203 VanDerWaalsContact OD1-CB 3.3Å; D201-K203 WeakPolarHBondContact OD1-CB 3.28Å; D201-K203 PolarHBondContact OD1-N 2.92Å; K203-E217 HydrophobicContact CB-CG 4.34Å; K203-E217 HydrophobicContact CD-CG 4.23Å; K203-E217 WeakPolarHBondContact CE-OE1 3.32Å; K203-E217 HydrophobicContact CG-CG 4.42Å; K203-E217 VanDerWaalsContact NZ-CD 3.32Å; K203-E217 IonicContact NZ-OE1 3.35Å; K203-E217 PolarHBondContact NZ-OE1 2.84Å; K203-E217 IonicContact NZ-OE2 2.82Å; K203-E217 PolarHBondContact NZ-OE2 2.84Å; K203-A218 WeakPolarHBondContact CA-O 3.18Å |
| 204 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.2 | 166 | 171.6 | 67.1 | 0 | 0 | 0 | 107.5 | T197 T198 E217 A218 V228 L237 T239 W253 L258 | T197-L204 WeakPolarHBondContact O-CA 3.33Å; T198-L204 HydrophobicContact CG2-CD1 3.73Å; L204-E217 CarbonylContact O-C 3.57Å; L204-E217 VanDerWaalsContact O-CA 3.32Å; L204-E217 WeakPolarHBondContact O-CA 3.4Å; L204-A218 HydrophobicContact CB-CB 4.02Å; L204-A218 HydrophobicContact CD2-CB 4.49Å; L204-A218 PolarHBondContact N-O 2.84Å; L204-A218 PolarHBondContact O-N 2.88Å; L204-V228 HydrophobicContact CD1-CB 4.13Å; L204-V228 HydrophobicContact CD1-CG1 4.4Å; L204-V228 HydrophobicContact CD1-CG2 3.85Å; L204-L237 HydrophobicContact CD2-CD1 4.31Å; L204-T239 HydrophobicContact CD1-CG2 4.19Å; L204-T239 HydrophobicContact CD2-CG2 3.92Å; L204-W253 HydrophobicContact CD2-CD2 4.1Å; L204-W253 HydrophobicContact CD2-CG 4.22Å; L204-L258 HydrophobicContact CD2-CD1 4.05Å; L204-L258 HydrophobicContact CD2-CD2 3.97Å; L204-L258 HydrophobicContact CG-CD1 3.97Å |
| 205 | R | 98.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.7 | -178.8 | -65.2 | 177.6 | -179.3 | 92.4 | -17.5 | 111.6 | C178 T196 T197 D201 I207 V214 Q216 E217 | C178-R205 PolarHBondContact O-NH2 3.46Å; T196-R205 CarbonylContact C-O 3.59Å; T196-R205 WeakPolarHBondContact CA-O 3.28Å; T196-R205 PolarHBondContact OG1-O 3.24Å; T196-R205 VanDerWaalsContact OG1-O 3.13Å; T197-R205 PolarHBondContact N-O 2.85Å; T197-R205 PolarHBondContact O-N 3.44Å; D201-R205 IonicContact OD1-NH1 3.51Å; D201-R205 PolarHBondContact OD1-NH1 3Å; D201-R205 IonicContact OD2-CZ 3.67Å; D201-R205 VanDerWaalsContact OD2-CZ 3.25Å; D201-R205 IonicContact OD2-NH1 3.65Å; D201-R205 PolarHBondContact OD2-NH1 3.11Å; D201-R205 IonicContact OD2-NH2 2.81Å; D201-R205 PolarHBondContact OD2-NH2 3.33Å; R205-I207 HydrophobicContact CB-CD1 4.11Å; R205-I207 HydrophobicContact CB-CG1 3.93Å; R205-V214 HydrophobicContact CB-CG1 4.24Å; R205-V214 HydrophobicContact CG-CG1 4.16Å; R205-Q216 VanDerWaalsContact CA-O 3.32Å; R205-Q216 WeakPolarHBondContact CA-O 3.49Å; R205-E217 HydrophobicContact CG-CB 4.43Å; R205-E217 HydrophobicContact CG-CG 4.05Å; R205-E217 IonicContact CZ-OE2 3.47Å; R205-E217 IonicContact NE-OE2 2.71Å; R205-E217 PolarHBondContact NE-OE2 2.88Å; R205-E217 IonicContact NH2-OE2 2.68Å |
| 206 | V | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.3 | 161.9 | 176.3 | 0 | 0 | 0 | 0 | 107.9 | L194 L215 Q216 F230 L237 L258 | L194-V206 HydrophobicContact CB-CG1 4.36Å; L194-V206 HydrophobicContact CD1-CG1 4.1Å; L194-V206 HydrophobicContact CD2-CG1 4.22Å; L194-V206 HydrophobicContact CG-CG1 4.48Å; V206-L215 PolarHBondContact O-N 2.78Å; V206-Q216 HydrophobicContact CB-CB 4.13Å; V206-Q216 HydrophobicContact CG2-CB 4.46Å; V206-Q216 PolarHBondContact N-O 2.92Å; V206-Q216 PolarHBondContact O-N 3.29Å; V206-F230 HydrophobicContact CG1-CZ 4.5Å; V206-L237 HydrophobicContact CG2-CD1 3.74Å; V206-L258 HydrophobicContact CG2-CD1 4.15Å |
| 207 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.1 | -167.5 | -49.9 | 177.1 | 0 | 0 | 0 | 108.6 | I176 L195 T197 R205 P209 R213 V214 | I176-I207 HydrophobicContact CD1-CG2 4.13Å; I176-I207 HydrophobicContact CG2-CD1 4.08Å; I176-I207 HydrophobicContact CG2-CG2 4.22Å; L195-I207 PolarHBondContact N-O 3.31Å; L195-I207 PolarHBondContact O-N 3.31Å; T197-I207 HydrophobicContact CG2-CD1 4.15Å; R205-I207 HydrophobicContact CB-CD1 4.11Å; R205-I207 HydrophobicContact CB-CG1 3.93Å; I207-P209 WeakPolarHBondContact O-CD 3.41Å; I207-R213 WeakPolarHBondContact CA-O 3.24Å; I207-V214 HydrophobicContact CG1-CG2 4.43Å |
| 208 | E | 98.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 110.8 | 162.8 | -163.5 | -70.1 | 137 | 0 | 0 | 107.4 | R210 S211 G212 R213 L215 | E208-R210 PolarHBondContact O-N 3.37Å; E208-R210 WeakPolarHBondContact OE1-CB 3.37Å; E208-R210 IonicContact OE1-CZ 3.83Å; E208-R210 PolarHBondContact OE1-N 2.86Å; E208-R210 IonicContact OE1-NE 3.38Å; E208-R210 PolarHBondContact OE1-NE 2.99Å; E208-R210 IonicContact OE1-NH2 3.4Å; E208-R210 PolarHBondContact OE1-NH2 3.3Å; E208-R210 PolarHBondContact OE2-N 2.77Å; E208-S211 PolarHBondContact O-OG 3.45Å; E208-S211 WeakPolarHBondContact OE2-CA 3.4Å; E208-S211 WeakPolarHBondContact OE2-CB 3.41Å; E208-S211 PolarHBondContact OE2-N 3.24Å; E208-S211 PolarHBondContact OE2-OG 3.36Å; E208-G212 WeakPolarHBondContact O-CA 3.12Å; E208-G212 PolarHBondContact O-N 3.4Å; E208-R213 PolarHBondContact N-O 2.65Å; E208-R213 PolarHBondContact O-N 3.32Å; E208-L215 HydrophobicContact CB-CD1 4.18Å; E208-L215 HydrophobicContact CB-CD2 4.33Å; E208-L215 HydrophobicContact CB-CG 4.29Å |
| 209 | P | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -25.9 | -163.3 | 27.7 | -34.7 | 0 | 0 | 0 | 114.2 | F154 I164 I176 S193 L195 I207 W384 | F154-P209 HydrophobicContact CE1-CB 3.61Å; F154-P209 HydrophobicContact CE1-CG 4.49Å; F154-P209 HydrophobicContact CZ-CB 3.67Å; F154-P209 HydrophobicContact CZ-CG 4.21Å; I164-P209 HydrophobicContact CD1-CB 4.02Å; I164-P209 WeakPolarHBondContact CD1-O 3.31Å; I176-P209 HydrophobicContact CD1-CB 4.18Å; S193-P209 WeakPolarHBondContact O-CD 3.43Å; L195-P209 HydrophobicContact CB-CB 4.41Å; I207-P209 WeakPolarHBondContact O-CD 3.41Å; P209-W384 HydrophobicContact CG-CH2 4.44Å; P209-W384 HydrophobicContact CG-CZ2 3.91Å |
| 210 | R | 95.5 | Very high | 96.8 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 11% | 0.106 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -32.5 | -177.5 | -66 | 168.2 | -68.1 | -149.1 | -12.1 | 112.6 | K174 E208 W384 G387 I388 N389 | K174-R210 VanDerWaalsContact CD-O 3.31Å; K174-R210 WeakPolarHBondContact CD-O 3.4Å; K174-R210 VanDerWaalsContact CE-O 3.29Å; K174-R210 WeakPolarHBondContact CE-O 3.31Å; K174-R210 PolarHBondContact NZ-O 2.79Å; E208-R210 PolarHBondContact O-N 3.37Å; E208-R210 WeakPolarHBondContact OE1-CB 3.37Å; E208-R210 IonicContact OE1-CZ 3.83Å; E208-R210 PolarHBondContact OE1-N 2.86Å; E208-R210 IonicContact OE1-NE 3.38Å; E208-R210 PolarHBondContact OE1-NE 2.99Å; E208-R210 IonicContact OE1-NH2 3.4Å; E208-R210 PolarHBondContact OE1-NH2 3.3Å; E208-R210 PolarHBondContact OE2-N 2.77Å; R210-W384 WeakPolarHBondContact CD-O 3.22Å; R210-W384 HydrophobicContact CG-CD2 4.35Å; R210-W384 HydrophobicContact CG-CE3 4.33Å; R210-W384 HydrophobicContact CG-CH2 3.68Å; R210-W384 HydrophobicContact CG-CZ2 3.7Å; R210-W384 HydrophobicContact CG-CZ3 4Å; R210-W384 PolarHBondContact NH1-O 2.93Å; R210-W384 VanDerWaalsContact NH1-O 3.12Å; R210-G387 PolarHBondContact NH1-O 2.89Å; R210-I388 PolarHBondContact NH1-O 2.86Å; R210-I388 VanDerWaalsContact NH1-O 3.13Å; R210-N389 PolarHBondContact NH1-OD1 2.94Å; R210-N389 PolarHBondContact NH2-OD1 3.14Å |
| 211 | S | 94.6 | Very high | 96 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 52% | 0.524 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -21.5 | 174.1 | 64.9 | 0 | 0 | 0 | 0 | 113 | E208 R213 | E208-S211 PolarHBondContact O-OG 3.45Å; E208-S211 WeakPolarHBondContact OE2-CA 3.4Å; E208-S211 WeakPolarHBondContact OE2-CB 3.41Å; E208-S211 PolarHBondContact OE2-N 3.24Å; E208-S211 PolarHBondContact OE2-OG 3.36Å; S211-R213 PolarHBondContact O-N 2.97Å; S211-R213 WeakPolarHBondContact OG-CB 3.43Å; S211-R213 PolarHBondContact OG-N 3.42Å |
| 212 | G | 93.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 19% | 0.186 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 8.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E208 V214 | E208-G212 WeakPolarHBondContact O-CA 3.12Å; E208-G212 PolarHBondContact O-N 3.4Å; G212-V214 PolarHBondContact O-N 2.91Å |
| 213 | R | 97.1 | Very high | 94.6 | Very high | 164 Ų | 164 | 47.4 Ų | 47.4 | 62% | 0.619 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 123.8 | -178.5 | -173.7 | 175.9 | 66.9 | 177.8 | 1.6 | 110.5 | I207 E208 S211 L215 | I207-R213 WeakPolarHBondContact CA-O 3.24Å; E208-R213 PolarHBondContact N-O 2.65Å; E208-R213 PolarHBondContact O-N 3.32Å; S211-R213 PolarHBondContact O-N 2.97Å; S211-R213 WeakPolarHBondContact OG-CB 3.43Å; S211-R213 PolarHBondContact OG-N 3.42Å; R213-L215 HydrophobicContact CG-CD2 4.31Å; R213-L215 VanDerWaalsContact NE-CD2 3.34Å; R213-L215 PolarHBondContact O-N 3.37Å |
| 214 | V | 98.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 30% | 0.297 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 117.1 | 168.6 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | C178 R205 I207 G212 Q216 E217 | C178-V214 HydrophobicContact CB-CG2 3.82Å; R205-V214 HydrophobicContact CB-CG1 4.24Å; R205-V214 HydrophobicContact CG-CG1 4.16Å; I207-V214 HydrophobicContact CG1-CG2 4.43Å; G212-V214 PolarHBondContact O-N 2.91Å; V214-Q216 WeakPolarHBondContact CG1-O 3.1Å; V214-E217 HydrophobicContact CG1-CB 4.15Å |
| 215 | L | 98.5 | Very high | 94.1 | Very high | 65 Ų | 65 | 51 Ų | 51 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -40 | 179.6 | -57.8 | -176.8 | 0 | 0 | 0 | 111.7 | L194 V206 E208 R213 | L194-L215 HydrophobicContact CD2-CD1 3.5Å; L194-L215 VanDerWaalsContact CD2-CD1 3.5Å; V206-L215 PolarHBondContact O-N 2.78Å; E208-L215 HydrophobicContact CB-CD1 4.18Å; E208-L215 HydrophobicContact CB-CD2 4.33Å; E208-L215 HydrophobicContact CB-CG 4.29Å; R213-L215 HydrophobicContact CG-CD2 4.31Å; R213-L215 VanDerWaalsContact NE-CD2 3.34Å; R213-L215 PolarHBondContact O-N 3.37Å |
| 216 | Q | 98.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.1 | 176.4 | -66.1 | -63.2 | -23.8 | 0 | 0 | 110.2 | R205 V206 V214 E256 L258 | R205-Q216 VanDerWaalsContact CA-O 3.32Å; R205-Q216 WeakPolarHBondContact CA-O 3.49Å; V206-Q216 HydrophobicContact CB-CB 4.13Å; V206-Q216 HydrophobicContact CG2-CB 4.46Å; V206-Q216 PolarHBondContact N-O 2.92Å; V206-Q216 PolarHBondContact O-N 3.29Å; V214-Q216 WeakPolarHBondContact CG1-O 3.1Å; Q216-E256 VanDerWaalsContact CD-O 3.25Å; Q216-E256 PolarHBondContact NE2-O 2.66Å; Q216-L258 HydrophobicContact CB-CB 4.32Å; Q216-L258 HydrophobicContact CB-CD1 3.66Å; Q216-L258 HydrophobicContact CB-CG 3.71Å |
| 217 | E | 98.1 | Very high | 93.9 | Very high | 84 Ų | 84 | 53.1 Ų | 53.1 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 130.8 | 176.7 | -174.9 | 176.9 | 101.7 | 0 | 0 | 110.6 | K203 L204 R205 V214 | K203-E217 HydrophobicContact CB-CG 4.34Å; K203-E217 HydrophobicContact CD-CG 4.23Å; K203-E217 WeakPolarHBondContact CE-OE1 3.32Å; K203-E217 HydrophobicContact CG-CG 4.42Å; K203-E217 VanDerWaalsContact NZ-CD 3.32Å; K203-E217 IonicContact NZ-OE1 3.35Å; K203-E217 PolarHBondContact NZ-OE1 2.84Å; K203-E217 IonicContact NZ-OE2 2.82Å; K203-E217 PolarHBondContact NZ-OE2 2.84Å; L204-E217 CarbonylContact O-C 3.57Å; L204-E217 VanDerWaalsContact O-CA 3.32Å; L204-E217 WeakPolarHBondContact O-CA 3.4Å; R205-E217 HydrophobicContact CG-CB 4.43Å; R205-E217 HydrophobicContact CG-CG 4.05Å; R205-E217 IonicContact CZ-OE2 3.47Å; R205-E217 IonicContact NE-OE2 2.71Å; R205-E217 PolarHBondContact NE-OE2 2.88Å; R205-E217 IonicContact NH2-OE2 2.68Å; V214-E217 HydrophobicContact CG1-CB 4.15Å |
| 218 | A | 97.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 5% | 0.05 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | K203 L204 W253 L258 | K203-A218 WeakPolarHBondContact CA-O 3.18Å; L204-A218 HydrophobicContact CB-CB 4.02Å; L204-A218 HydrophobicContact CD2-CB 4.49Å; L204-A218 PolarHBondContact N-O 2.84Å; L204-A218 PolarHBondContact O-N 2.88Å; A218-W253 HydrophobicContact CB-CZ3 4.21Å; A218-L258 HydrophobicContact CB-CB 3.79Å; A218-L258 HydrophobicContact CB-CD1 4.37Å; A218-L258 WeakPolarHBondContact CB-O 3.37Å |
| 219 | N | 94.3 | Very high | 93.9 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 47% | 0.471 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 97.4 | 169.1 | -167.4 | -28.4 | 0 | 0 | 0 | 110.3 | K221 | N219-K221 VanDerWaalsContact C-N 3.26Å; N219-K221 WeakPolarHBondContact ND2-CE 3.48Å; N219-K221 PolarHBondContact O-N 3.07Å; N219-K221 WeakPolarHBondContact OD1-CG 3.32Å |
| 220 | C | 88.8 | Confident | 93.9 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.054 | 26% | 0.262 | C | S | . | . | trans | -84.1 | 60.3 | -172.4 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | K202 N222 H223 V225 | K202-C220 PolarHBondContact O-N 3.35Å; C220-N222 VanDerWaalsContact C-N 3.31Å; C220-N222 PolarHBondContact O-N 3.45Å; C220-H223 WeakPolarHBondContact CB-O 3.27Å; C220-H223 CarbonylContact O-C 3.48Å; C220-H223 PolarHBondContact O-N 3.49Å; C220-V225 HydrophobicContact CB-CG2 3.83Å | ||
| 221 | K | 80.1 | Confident | 94 | Very high | 148 Ų | 148 | 51.9 Ų | 51.9 | 64% | 0.643 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -36.6 | -174.7 | -63.4 | -173 | -179.6 | 174.9 | 0 | 113.9 | N219 | N219-K221 VanDerWaalsContact C-N 3.26Å; N219-K221 WeakPolarHBondContact ND2-CE 3.48Å; N219-K221 PolarHBondContact O-N 3.07Å; N219-K221 WeakPolarHBondContact OD1-CG 3.32Å |
| 222 | N | 79.9 | Confident | 93.8 | Very high | 101 Ų | 101 | 48.8 Ų | 48.8 | 54% | 0.54 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -2.2 | -176.3 | -64.2 | -34.4 | 0 | 0 | 0 | 113.4 | C220 S243 R244 | C220-N222 VanDerWaalsContact C-N 3.31Å; C220-N222 PolarHBondContact O-N 3.45Å; N222-S243 CarbonylContact O-C 3.55Å; N222-R244 HydrophobicContact CB-CB 4.46Å; N222-R244 PolarHBondContact O-N 3.43Å |
| 223 | H | 83.8 | Confident | 93.6 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.023 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 99.4 | -179.1 | 177.6 | 60 | 0 | 0 | 0 | 108.1 | C220 V225 T239 G241 V242 Q249 | C220-H223 WeakPolarHBondContact CB-O 3.27Å; C220-H223 CarbonylContact O-C 3.48Å; C220-H223 PolarHBondContact O-N 3.49Å; H223-V225 VanDerWaalsContact C-N 3.27Å; H223-V225 WeakPolarHBondContact CD2-CG2 3.29Å; H223-V225 PolarHBondContact O-N 2.57Å; H223-T239 PolarHBondContact NE2-OG1 3.41Å; H223-G241 VanDerWaalsContact CE1-CA 3.46Å; H223-G241 WeakPolarHBondContact CE1-CA 3.31Å; H223-G241 PolarHBondContact CE1-N 3.29Å; H223-V242 CarbonylContact C-O 3.51Å; H223-Q249 PolarHBondContact CE1-O 2.69Å; H223-Q249 PolarHBondContact ND1-OE1 3.33Å |
| 224 | R | 90.9 | Very high | 93.4 | Very high | 120 Ų | 120 | 47 Ų | 47 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 87.9 | 177 | -68.3 | -176.9 | -63.9 | -130.8 | -5.9 | 108.7 | N226 G241 V242 N246 | R224-N226 PolarHBondContact O-N 3.2Å; R224-G241 CarbonylContact O-C 3.57Å; R224-G241 WeakPolarHBondContact O-CA 3.41Å; R224-V242 PolarHBondContact N-O 3.49Å; R224-V242 PolarHBondContact O-N 3.13Å; R224-N246 PolarHBondContact NH2-OD1 3.33Å |
| 225 | V | 94.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 128.2 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | T198 C220 H223 R227 T239 | T198-V225 HydrophobicContact CG2-CB 4.16Å; T198-V225 HydrophobicContact CG2-CG1 3.22Å; C220-V225 HydrophobicContact CB-CG2 3.83Å; H223-V225 VanDerWaalsContact C-N 3.27Å; H223-V225 WeakPolarHBondContact CD2-CG2 3.29Å; H223-V225 PolarHBondContact O-N 2.57Å; V225-R227 WeakPolarHBondContact CG1-O 3.3Å; V225-T239 HydrophobicContact CG1-CG2 3.75Å; V225-T239 HydrophobicContact CG2-CG2 4.24Å |
| 226 | N | 95.4 | Very high | 93.1 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -37.1 | 175.3 | -65.6 | -50.5 | 0 | 0 | 0 | 112.3 | L184 T198 R224 T240 L273 | L184-N226 WeakPolarHBondContact CB-O 3.5Å; T198-N226 PolarHBondContact OG1-O 2.67Å; R224-N226 PolarHBondContact O-N 3.2Å; N226-T240 PolarHBondContact N-O 2.93Å; N226-L273 HydrophobicContact CB-CD1 3.69Å; N226-L273 HydrophobicContact CB-CG 4.42Å |
| 227 | R | 98.2 | Very high | 93.1 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 5% | 0.045 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 153.5 | 179 | -56.4 | -64.7 | -173.1 | -174.3 | 5 | 111.3 | D42 L184 V225 T239 T240 L273 P276 | D42-R227 PolarHBondContact O-NH1 3.03Å; D42-R227 PolarHBondContact O-NH2 2.9Å; L184-R227 PolarHBondContact O-NH1 3.28Å; V225-R227 WeakPolarHBondContact CG1-O 3.3Å; R227-T239 CarbonylContact O-C 3.56Å; R227-T239 VanDerWaalsContact O-CA 3.25Å; R227-T239 WeakPolarHBondContact O-CA 2.84Å; R227-T240 WeakPolarHBondContact CB-OG1 3.19Å; R227-T240 PolarHBondContact N-O 2.85Å; R227-T240 VanDerWaalsContact N-O 3.14Å; R227-T240 PolarHBondContact O-N 2.72Å; R227-L273 HydrophobicContact CG-CD2 4.21Å; R227-P276 HydrophobicContact CB-CG 3.85Å |
| 228 | V | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 143.4 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 109.4 | C185 S187 T196 T198 L204 L237 L238 T239 | C185-V228 HydrophobicContact CB-CG1 4.32Å; C185-V228 PolarHBondContact SG-O 2.83Å; S187-V228 WeakPolarHBondContact CB-O 3.2Å; T196-V228 HydrophobicContact CG2-CB 4.22Å; T196-V228 HydrophobicContact CG2-CG1 3.64Å; T196-V228 HydrophobicContact CG2-CG2 3.56Å; T198-V228 HydrophobicContact CG2-CB 3.63Å; T198-V228 HydrophobicContact CG2-CG1 3.49Å; T198-V228 VanDerWaalsContact CG2-CG1 3.49Å; L204-V228 HydrophobicContact CD1-CB 4.13Å; L204-V228 HydrophobicContact CD1-CG1 4.4Å; L204-V228 HydrophobicContact CD1-CG2 3.85Å; V228-L237 HydrophobicContact CG2-CB 4.19Å; V228-L237 HydrophobicContact CG2-CD1 4.41Å; V228-L238 CarbonylContact C-O 3.57Å; V228-L238 VanDerWaalsContact CA-O 3.29Å; V228-L238 WeakPolarHBondContact CA-O 3.25Å; V228-T239 HydrophobicContact CB-CG2 4.16Å; V228-T239 HydrophobicContact CG2-CG2 4.04Å |
| 229 | V | 98.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.3 | 168.3 | -69 | 0 | 0 | 0 | 0 | 110.2 | S187 L231 L237 L238 P276 | S187-V229 WeakPolarHBondContact OG-CA 3.21Å; V229-L231 HydrophobicContact CG2-CD2 3.94Å; V229-L237 WeakPolarHBondContact O-CA 3.18Å; V229-L238 HydrophobicContact CG2-CB 4Å; V229-L238 HydrophobicContact CG2-CD2 4.36Å; V229-L238 PolarHBondContact N-O 3.35Å; V229-L238 PolarHBondContact O-N 2.67Å; V229-P276 HydrophobicContact CG1-CB 4.39Å; V229-P276 HydrophobicContact CG1-CG 3.92Å; V229-P276 HydrophobicContact CG2-CB 3.99Å; V229-P276 HydrophobicContact CG2-CG 4.15Å |
| 230 | F | 98.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 37 Ų | 37 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 140.5 | 161 | -82.3 | -86.2 | 0 | 0 | 0 | 109.9 | S187 F188 N189 L194 T196 V206 G232 L237 Q255 | S187-F230 WeakPolarHBondContact O-CD2 3.47Å; S187-F230 WeakPolarHBondContact O-CE2 3.2Å; S187-F230 PolarHBondContact OG-N 2.84Å; S187-F230 VanDerWaalsContact OG-N 3.11Å; F188-F230 WeakPolarHBondContact O-CB 3.42Å; F188-F230 WeakPolarHBondContact O-CD2 3.33Å; N189-F230 HydrophobicContact CB-CB 4.43Å; N189-F230 HydrophobicContact CB-CD1 3.64Å; N189-F230 HydrophobicContact CB-CD2 4.02Å; N189-F230 HydrophobicContact CB-CE1 3.76Å; N189-F230 HydrophobicContact CB-CE2 4.07Å; N189-F230 HydrophobicContact CB-CG 3.8Å; N189-F230 HydrophobicContact CB-CZ 3.97Å; L194-F230 HydrophobicContact CB-CE1 4.44Å; L194-F230 HydrophobicContact CB-CE2 4.44Å; L194-F230 HydrophobicContact CB-CZ 3.77Å; T196-F230 HydrophobicContact CG2-CD2 3.53Å; T196-F230 HydrophobicContact CG2-CE2 3.41Å; T196-F230 VanDerWaalsContact CG2-CE2 3.41Å; T196-F230 HydrophobicContact CG2-CG 4.47Å; T196-F230 HydrophobicContact CG2-CZ 4.22Å; V206-F230 HydrophobicContact CG1-CZ 4.5Å; F230-G232 VanDerWaalsContact C-N 3.25Å; F230-G232 PolarHBondContact O-N 3.1Å; F230-L237 HydrophobicContact CB-CD2 4.31Å; F230-L237 HydrophobicContact CD1-CD2 3.26Å; F230-L237 HydrophobicContact CD2-CD2 3.99Å; F230-L237 HydrophobicContact CE1-CD2 3.4Å; F230-L237 VanDerWaalsContact CE1-CD2 3.4Å; F230-L237 HydrophobicContact CE2-CD2 4.15Å; F230-L237 HydrophobicContact CG-CD2 3.57Å; F230-L237 HydrophobicContact CZ-CD2 3.87Å; F230-Q255 HydrophobicContact CE1-CB 4.3Å; F230-Q255 VanDerWaalsContact CE1-OE1 3.32Å |
| 231 | L | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -95.1 | 54.9 | 177.7 | -53.5 | -174.8 | 0 | 0 | 0 | 110.6 | V229 N233 M234 R236 L238 L252 Y278 I300 | V229-L231 HydrophobicContact CG2-CD2 3.94Å; L231-N233 PolarHBondContact O-N 2.87Å; L231-M234 HydrophobicContact CB-CB 4.35Å; L231-M234 HydrophobicContact CB-SD 4.19Å; L231-M234 WeakPolarHBondContact O-CB 3.4Å; L231-M234 WeakPolarHBondContact O-CG 3.44Å; L231-M234 PolarHBondContact O-N 2.89Å; L231-M234 VanDerWaalsContact O-N 3.1Å; L231-R236 HydrophobicContact CB-CB 4.15Å; L231-R236 HydrophobicContact CD1-CB 3.86Å; L231-R236 HydrophobicContact CG-CB 4.24Å; L231-R236 PolarHBondContact N-O 2.84Å; L231-L238 HydrophobicContact CD1-CB 4.12Å; L231-L238 HydrophobicContact CD2-CB 3.84Å; L231-L238 HydrophobicContact CG-CB 4.28Å; L231-L252 HydrophobicContact CD1-CD1 3.33Å; L231-Y278 HydrophobicContact CB-CD1 4.37Å; L231-Y278 HydrophobicContact CB-CE1 4.02Å; L231-Y278 HydrophobicContact CB-CE2 4.22Å; L231-Y278 HydrophobicContact CD2-CD1 4.06Å; L231-Y278 HydrophobicContact CD2-CD2 3.61Å; L231-Y278 HydrophobicContact CD2-CE1 4.46Å; L231-Y278 HydrophobicContact CD2-CE2 4.03Å; L231-Y278 HydrophobicContact CD2-CG 3.6Å; L231-I300 HydrophobicContact CD1-CG2 3.97Å | ||
| 232 | G | 91.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 31 Ų | 31 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | 53.8 | -133 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | T190 F230 M234 | T190-G232 VanDerWaalsContact OG1-C 3.28Å; T190-G232 VanDerWaalsContact OG1-CA 3.24Å; T190-G232 WeakPolarHBondContact OG1-CA 3.48Å; F230-G232 VanDerWaalsContact C-N 3.25Å; F230-G232 PolarHBondContact O-N 3.1Å; G232-M234 PolarHBondContact O-N 3.19Å |
| 233 | N | 88.1 | Confident | 95.1 | Very high | 120 Ų | 120 | 26.4 Ų | 26.4 | 64% | 0.642 | 13% | 0.127 | S | C | * | . | G | 310 helix | trans | -80.5 | 5.4 | -179.8 | -69.2 | -18.2 | 0 | 0 | 0 | 114 | T190 L231 K235 | T190-N233 WeakPolarHBondContact CB-OD1 3.2Å; T190-N233 WeakPolarHBondContact CG2-OD1 3.47Å; T190-N233 PolarHBondContact OG1-OD1 3.4Å; T190-N233 VanDerWaalsContact OG1-OD1 3.12Å; L231-N233 PolarHBondContact O-N 2.87Å; N233-K235 PolarHBondContact O-N 3.18Å; N233-K235 VanDerWaalsContact O-N 3.17Å |
| 234 | M | 93.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -71.4 | -6.5 | -178.8 | -59.4 | -179 | 81.9 | 0 | 0 | 113.6 | L231 G232 R236 Y278 I300 T302 | L231-M234 HydrophobicContact CB-CB 4.35Å; L231-M234 HydrophobicContact CB-SD 4.19Å; L231-M234 WeakPolarHBondContact O-CB 3.4Å; L231-M234 WeakPolarHBondContact O-CG 3.44Å; L231-M234 PolarHBondContact O-N 2.89Å; L231-M234 VanDerWaalsContact O-N 3.1Å; G232-M234 PolarHBondContact O-N 3.19Å; M234-R236 VanDerWaalsContact C-N 3.27Å; M234-R236 HydrophobicContact CB-CB 4.42Å; M234-R236 HydrophobicContact CB-CG 4.24Å; M234-R236 WeakPolarHBondContact O-CG 3.27Å; M234-R236 PolarHBondContact O-N 2.78Å; M234-Y278 PolarHBondContact SD-OH 2.75Å; M234-I300 HydrophobicContact CE-CG2 3.89Å; M234-I300 HydrophobicContact SD-CG2 4.07Å; M234-T302 HydrophobicContact CB-CG2 4.37Å; M234-T302 HydrophobicContact CE-CG2 3.59Å |
| 235 | K | 93.4 | Very high | 95.6 | Very high | 103 Ų | 103 | 35.9 Ų | 35.9 | 45% | 0.448 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 54.2 | 42.3 | -171.5 | -61.4 | -174.2 | 167 | -154.2 | 0 | 112.9 | N233 Q255 E256 | N233-K235 PolarHBondContact O-N 3.18Å; N233-K235 VanDerWaalsContact O-N 3.17Å; K235-Q255 HydrophobicContact CB-CG 4.15Å; K235-Q255 PolarHBondContact O-N 3.05Å; K235-E256 IonicContact NZ-OE1 3.35Å; K235-E256 PolarHBondContact NZ-OE1 3.09Å |
| 236 | R | 96.9 | Very high | 95.5 | Very high | 43 Ų | 43 | 40.5 Ų | 40.5 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.6 | -179.4 | -62.9 | -64 | 176.6 | -111.2 | 11.8 | 110.5 | L231 M234 L252 W253 D254 L262 | L231-R236 HydrophobicContact CB-CB 4.15Å; L231-R236 HydrophobicContact CD1-CB 3.86Å; L231-R236 HydrophobicContact CG-CB 4.24Å; L231-R236 PolarHBondContact N-O 2.84Å; M234-R236 VanDerWaalsContact C-N 3.27Å; M234-R236 HydrophobicContact CB-CB 4.42Å; M234-R236 HydrophobicContact CB-CG 4.24Å; M234-R236 WeakPolarHBondContact O-CG 3.27Å; M234-R236 PolarHBondContact O-N 2.78Å; R236-L252 HydrophobicContact CB-CD1 4.12Å; R236-W253 VanDerWaalsContact CA-O 3.31Å; R236-W253 WeakPolarHBondContact CA-O 3.5Å; R236-W253 VanDerWaalsContact CD-O 3.27Å; R236-W253 WeakPolarHBondContact CD-O 3.35Å; R236-D254 IonicContact CZ-OD2 3.25Å; R236-D254 IonicContact NH1-OD1 3.44Å; R236-D254 PolarHBondContact NH1-OD1 3.22Å; R236-D254 IonicContact NH1-OD2 2.87Å; R236-D254 PolarHBondContact NH1-OD2 3Å; R236-D254 IonicContact NH2-OD2 3.42Å; R236-L262 VanDerWaalsContact NE-CD1 3.35Å |
| 237 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 143.9 | 167.6 | -54.3 | 178.8 | 0 | 0 | 0 | 109.5 | T196 L204 V206 V228 V229 F230 L252 W253 Q255 L258 | T196-L237 HydrophobicContact CG2-CD2 4.05Å; L204-L237 HydrophobicContact CD2-CD1 4.31Å; V206-L237 HydrophobicContact CG2-CD1 3.74Å; V228-L237 HydrophobicContact CG2-CB 4.19Å; V228-L237 HydrophobicContact CG2-CD1 4.41Å; V229-L237 WeakPolarHBondContact O-CA 3.18Å; F230-L237 HydrophobicContact CB-CD2 4.31Å; F230-L237 HydrophobicContact CD1-CD2 3.26Å; F230-L237 HydrophobicContact CD2-CD2 3.99Å; F230-L237 HydrophobicContact CE1-CD2 3.4Å; F230-L237 VanDerWaalsContact CE1-CD2 3.4Å; F230-L237 HydrophobicContact CE2-CD2 4.15Å; F230-L237 HydrophobicContact CG-CD2 3.57Å; F230-L237 HydrophobicContact CZ-CD2 3.87Å; L237-L252 CarbonylContact O-C 3.53Å; L237-L252 WeakPolarHBondContact O-CA 3.43Å; L237-W253 HydrophobicContact CB-CB 4.19Å; L237-W253 PolarHBondContact N-O 3.11Å; L237-W253 PolarHBondContact O-N 2.83Å; L237-Q255 HydrophobicContact CD2-CB 4.35Å; L237-Q255 HydrophobicContact CG-CB 4.03Å; L237-L258 HydrophobicContact CD1-CD2 4Å |
| 238 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.1 | 164.6 | -174 | 98 | 0 | 0 | 0 | 109.3 | V228 V229 L231 A251 L252 P276 L285 L287 L307 | V228-L238 CarbonylContact C-O 3.57Å; V228-L238 VanDerWaalsContact CA-O 3.29Å; V228-L238 WeakPolarHBondContact CA-O 3.25Å; V229-L238 HydrophobicContact CG2-CB 4Å; V229-L238 HydrophobicContact CG2-CD2 4.36Å; V229-L238 PolarHBondContact N-O 3.35Å; V229-L238 PolarHBondContact O-N 2.67Å; L231-L238 HydrophobicContact CD1-CB 4.12Å; L231-L238 HydrophobicContact CD2-CB 3.84Å; L231-L238 HydrophobicContact CG-CB 4.28Å; L238-A251 WeakPolarHBondContact CA-O 3.31Å; L238-L252 HydrophobicContact CD1-CD1 4.32Å; L238-P276 HydrophobicContact CD2-CB 3.88Å; L238-L285 HydrophobicContact CD1-CD2 3.96Å; L238-L285 HydrophobicContact CD2-CD1 3.51Å; L238-L285 HydrophobicContact CD2-CD2 3.41Å; L238-L285 VanDerWaalsContact CD2-CD2 3.41Å; L238-L285 HydrophobicContact CD2-CG 4.08Å; L238-L285 HydrophobicContact CG-CD2 4.32Å; L238-L287 HydrophobicContact CD2-CD2 4.39Å; L238-L307 HydrophobicContact CD1-CD2 4.3Å |
| 239 | T | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147.3 | 170.5 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | L204 H223 V225 R227 V228 I250 A251 W253 | L204-T239 HydrophobicContact CD1-CG2 4.19Å; L204-T239 HydrophobicContact CD2-CG2 3.92Å; H223-T239 PolarHBondContact NE2-OG1 3.41Å; V225-T239 HydrophobicContact CG1-CG2 3.75Å; V225-T239 HydrophobicContact CG2-CG2 4.24Å; R227-T239 CarbonylContact O-C 3.56Å; R227-T239 VanDerWaalsContact O-CA 3.25Å; R227-T239 WeakPolarHBondContact O-CA 2.84Å; V228-T239 HydrophobicContact CB-CG2 4.16Å; V228-T239 HydrophobicContact CG2-CG2 4.04Å; T239-I250 WeakPolarHBondContact O-CA 3.37Å; T239-A251 PolarHBondContact N-O 3.3Å; T239-A251 PolarHBondContact O-N 3.27Å; T239-A251 PolarHBondContact OG1-O 3.35Å; T239-W253 PolarHBondContact OG1-NE1 3.43Å |
| 240 | T | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 145.3 | 163.6 | 72.8 | 0 | 0 | 0 | 0 | 109.3 | N226 R227 Q249 I250 L274 P276 L287 | N226-T240 PolarHBondContact N-O 2.93Å; R227-T240 WeakPolarHBondContact CB-OG1 3.19Å; R227-T240 PolarHBondContact N-O 2.85Å; R227-T240 VanDerWaalsContact N-O 3.14Å; R227-T240 PolarHBondContact O-N 2.72Å; T240-Q249 WeakPolarHBondContact CA-O 3.23Å; T240-I250 HydrophobicContact CG2-CG2 3.93Å; T240-L274 WeakPolarHBondContact CB-O 3.49Å; T240-L274 HydrophobicContact CG2-CD2 4.3Å; T240-L274 HydrophobicContact CG2-CG 4.34Å; T240-L274 PolarHBondContact OG1-O 3.3Å; T240-P276 HydrophobicContact CG2-CB 3.78Å; T240-P276 HydrophobicContact CG2-CG 3.76Å; T240-L287 HydrophobicContact CG2-CD2 4.1Å |
| 241 | G | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | -161.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H223 R224 R248 Q249 | H223-G241 VanDerWaalsContact CE1-CA 3.46Å; H223-G241 WeakPolarHBondContact CE1-CA 3.31Å; H223-G241 PolarHBondContact CE1-N 3.29Å; R224-G241 CarbonylContact O-C 3.57Å; R224-G241 WeakPolarHBondContact O-CA 3.41Å; G241-R248 WeakPolarHBondContact O-CA 3.23Å; G241-Q249 PolarHBondContact N-O 3.5Å; G241-Q249 PolarHBondContact O-N 3.22Å |
| 242 | V | 95.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.3 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | H223 R224 N246 T247 | H223-V242 CarbonylContact C-O 3.51Å; R224-V242 PolarHBondContact N-O 3.49Å; R224-V242 PolarHBondContact O-N 3.13Å; V242-N246 HydrophobicContact CG1-CB 4.45Å; V242-T247 CarbonylContact C-O 3.59Å; V242-T247 WeakPolarHBondContact CA-O 3.43Å |
| 243 | S | 94.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 170.6 | 177.4 | 78.2 | 0 | 0 | 0 | 0 | 111.6 | N222 W245 N246 T247 | N222-S243 CarbonylContact O-C 3.55Å; S243-W245 PolarHBondContact O-N 3.28Å; S243-W245 VanDerWaalsContact O-N 3.14Å; S243-W245 PolarHBondContact OG-N 2.97Å; S243-W245 VanDerWaalsContact OG-N 3.09Å; S243-N246 PolarHBondContact O-N 3.12Å; S243-T247 PolarHBondContact N-O 2.69Å; S243-T247 PolarHBondContact OG-N 3.06Å; S243-T247 PolarHBondContact OG-O 3.03Å; S243-T247 PolarHBondContact OG-OG1 2.87Å |
| 244 | R | 91.9 | Very high | 96 | Very high | 155 Ų | 155 | 34.7 Ų | 34.7 | 59% | 0.585 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -20.2 | 170.4 | 67.7 | 176.8 | -64.7 | 173.4 | 2.7 | 113.8 | N222 N246 | N222-R244 HydrophobicContact CB-CB 4.46Å; N222-R244 PolarHBondContact O-N 3.43Å; R244-N246 VanDerWaalsContact C-N 3.33Å |
| 245 | W | 92 | Very high | 96.1 | Very high | 170 Ų | 170 | 34.4 Ų | 34.4 | 64% | 0.644 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 8.8 | 179.5 | -51.9 | 119.6 | 0 | 0 | 0 | 112.7 | S243 T247 | S243-W245 PolarHBondContact O-N 3.28Å; S243-W245 VanDerWaalsContact O-N 3.14Å; S243-W245 PolarHBondContact OG-N 2.97Å; S243-W245 VanDerWaalsContact OG-N 3.09Å; W245-T247 PolarHBondContact O-N 3.42Å |
| 246 | N | 92.5 | Very high | 96.3 | Very high | 105 Ų | 105 | 34.5 Ų | 34.5 | 56% | 0.561 | 16% | 0.155 | S | C | * | . | S | Bend | trans | 60.3 | 25.3 | -174.1 | -60.9 | -46.5 | 0 | 0 | 0 | 114.1 | R224 V242 S243 R244 | R224-N246 PolarHBondContact NH2-OD1 3.33Å; V242-N246 HydrophobicContact CG1-CB 4.45Å; S243-N246 PolarHBondContact O-N 3.12Å; R244-N246 VanDerWaalsContact C-N 3.33Å |
| 247 | T | 96.2 | Very high | 96.3 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 15% | 0.153 | 17% | 0.168 | C | C | . | . | trans | -92.9 | 145.6 | 168.9 | 55 | 0 | 0 | 0 | 0 | 109.9 | V242 S243 W245 Q249 E266 D268 | V242-T247 CarbonylContact C-O 3.59Å; V242-T247 WeakPolarHBondContact CA-O 3.43Å; S243-T247 PolarHBondContact N-O 2.69Å; S243-T247 PolarHBondContact OG-N 3.06Å; S243-T247 PolarHBondContact OG-O 3.03Å; S243-T247 PolarHBondContact OG-OG1 2.87Å; W245-T247 PolarHBondContact O-N 3.42Å; T247-Q249 PolarHBondContact O-N 3.08Å; T247-E266 PolarHBondContact OG1-OE2 2.89Å; T247-D268 CarbonylContact C-O 3.58Å; T247-D268 WeakPolarHBondContact CA-O 3.31Å; T247-D268 WeakPolarHBondContact CB-O 3.47Å | ||
| 248 | R | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 133.5 | 171.3 | -57.7 | -167.2 | -61.8 | -179.8 | -2.6 | 108 | G241 I267 D268 L270 G272 D292 | G241-R248 WeakPolarHBondContact O-CA 3.23Å; R248-I267 HydrophobicContact CB-CB 4.31Å; R248-I267 PolarHBondContact O-N 3.22Å; R248-D268 IonicContact CZ-OD1 3.45Å; R248-D268 VanDerWaalsContact CZ-OD1 3.25Å; R248-D268 IonicContact CZ-OD2 2.74Å; R248-D268 PolarHBondContact N-O 2.64Å; R248-D268 IonicContact NE-OD1 2.63Å; R248-D268 PolarHBondContact NE-OD1 3.42Å; R248-D268 IonicContact NE-OD2 2.72Å; R248-D268 VanDerWaalsContact NH2-CG 3.29Å; R248-D268 IonicContact NH2-OD1 3.09Å; R248-D268 PolarHBondContact NH2-OD1 2.96Å; R248-D268 IonicContact NH2-OD2 3.89Å; R248-D268 PolarHBondContact NH2-OD2 2.83Å; R248-L270 WeakPolarHBondContact CD-O 3.15Å; R248-L270 WeakPolarHBondContact CG-O 3.16Å; R248-G272 WeakPolarHBondContact CD-O 3.18Å; R248-G272 PolarHBondContact NH1-O 3.08Å; R248-G272 VanDerWaalsContact NH1-O 3.15Å; R248-D292 IonicContact CZ-OD2 2.97Å; R248-D292 IonicContact NH1-OD1 3.42Å; R248-D292 PolarHBondContact NH1-OD1 2.71Å; R248-D292 IonicContact NH1-OD2 3.45Å; R248-D292 PolarHBondContact NH1-OD2 3.08Å; R248-D292 IonicContact NH2-OD1 3.95Å; R248-D292 IonicContact NH2-OD2 2.78Å; R248-D292 PolarHBondContact NH2-OD2 2.91Å |
| 249 | Q | 96.4 | Very high | 96.2 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 147.5 | -173.5 | -174.9 | -177.5 | 34.1 | 0 | 0 | 109.1 | H223 T240 G241 T247 E265 | H223-Q249 PolarHBondContact CE1-O 2.69Å; H223-Q249 PolarHBondContact ND1-OE1 3.33Å; T240-Q249 WeakPolarHBondContact CA-O 3.23Å; G241-Q249 PolarHBondContact N-O 3.5Å; G241-Q249 PolarHBondContact O-N 3.22Å; T247-Q249 PolarHBondContact O-N 3.08Å; Q249-E265 WeakPolarHBondContact CA-O 3.43Å; Q249-E265 WeakPolarHBondContact CG-O 3.47Å |
| 250 | I | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 151.6 | 165 | 64.7 | 178.6 | 0 | 0 | 0 | 109.8 | T239 T240 E264 E265 I267 L274 L287 L307 | T239-I250 WeakPolarHBondContact O-CA 3.37Å; T240-I250 HydrophobicContact CG2-CG2 3.93Å; I250-E264 WeakPolarHBondContact O-CA 3.24Å; I250-E265 HydrophobicContact CD1-CB 4.32Å; I250-E265 HydrophobicContact CG1-CB 3.9Å; I250-E265 PolarHBondContact N-O 3.34Å; I250-E265 PolarHBondContact O-N 3.44Å; I250-I267 HydrophobicContact CD1-CD1 3.87Å; I250-I267 HydrophobicContact CG1-CD1 3.98Å; I250-I267 HydrophobicContact CG2-CD1 4.08Å; I250-I267 HydrophobicContact CG2-CG1 3.99Å; I250-L274 HydrophobicContact CG2-CD2 4.07Å; I250-L287 HydrophobicContact CD1-CD1 4.14Å; I250-L287 HydrophobicContact CG2-CD1 3.77Å; I250-L287 HydrophobicContact CG2-CD2 4.44Å; I250-L307 HydrophobicContact CD1-CD2 3.43Å; I250-L307 VanDerWaalsContact CD1-CD2 3.43Å |
| 251 | A | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 140.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L238 T239 W253 P261 I263 E264 | L238-A251 WeakPolarHBondContact CA-O 3.31Å; T239-A251 PolarHBondContact N-O 3.3Å; T239-A251 PolarHBondContact O-N 3.27Å; T239-A251 PolarHBondContact OG1-O 3.35Å; A251-W253 HydrophobicContact CB-CZ2 4.01Å; A251-P261 HydrophobicContact CB-CB 4.04Å; A251-I263 CarbonylContact C-O 3.51Å; A251-I263 VanDerWaalsContact CA-O 3.26Å; A251-I263 WeakPolarHBondContact CA-O 3.28Å; A251-E264 HydrophobicContact CB-CG 3.99Å |
| 252 | L | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.3 | 173.5 | -169.8 | 70.2 | 0 | 0 | 0 | 108.8 | L231 R236 L237 L238 P261 L262 I263 Y306 L307 | L231-L252 HydrophobicContact CD1-CD1 3.33Å; R236-L252 HydrophobicContact CB-CD1 4.12Å; L237-L252 CarbonylContact O-C 3.53Å; L237-L252 WeakPolarHBondContact O-CA 3.43Å; L238-L252 HydrophobicContact CD1-CD1 4.32Å; L252-P261 CarbonylContact O-C 3.52Å; L252-P261 WeakPolarHBondContact O-CA 3.42Å; L252-P261 WeakPolarHBondContact O-CB 3.47Å; L252-L262 HydrophobicContact CB-CB 4.45Å; L252-L262 HydrophobicContact CD2-CB 4.48Å; L252-L262 HydrophobicContact CD2-CD1 4.19Å; L252-L262 HydrophobicContact CG-CD1 4.26Å; L252-L262 PolarHBondContact O-N 3.12Å; L252-I263 HydrophobicContact CB-CG2 3.67Å; L252-I263 HydrophobicContact CD2-CG2 4.42Å; L252-I263 PolarHBondContact N-O 2.89Å; L252-Y306 HydrophobicContact CD2-CD1 4.23Å; L252-Y306 HydrophobicContact CD2-CD2 4.42Å; L252-Y306 HydrophobicContact CD2-CG 3.85Å; L252-L307 HydrophobicContact CB-CD1 4.46Å; L252-L307 HydrophobicContact CD2-CD1 4.44Å |
| 253 | W | 97.6 | Very high | 95.8 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 148.8 | -177.2 | -51 | 78.2 | 0 | 0 | 0 | 110.5 | L204 A218 R236 L237 T239 A251 L258 P261 | L204-W253 HydrophobicContact CD2-CD2 4.1Å; L204-W253 HydrophobicContact CD2-CG 4.22Å; A218-W253 HydrophobicContact CB-CZ3 4.21Å; R236-W253 VanDerWaalsContact CA-O 3.31Å; R236-W253 WeakPolarHBondContact CA-O 3.5Å; R236-W253 VanDerWaalsContact CD-O 3.27Å; R236-W253 WeakPolarHBondContact CD-O 3.35Å; L237-W253 HydrophobicContact CB-CB 4.19Å; L237-W253 PolarHBondContact N-O 3.11Å; L237-W253 PolarHBondContact O-N 2.83Å; T239-W253 PolarHBondContact OG1-NE1 3.43Å; A251-W253 HydrophobicContact CB-CZ2 4.01Å; W253-L258 HydrophobicContact CB-CD2 3.84Å; W253-L258 HydrophobicContact CD2-CD2 4.49Å; W253-L258 HydrophobicContact CE3-CD2 4.29Å; W253-L258 HydrophobicContact CG-CD2 4.34Å; W253-P261 HydrophobicContact CD2-CB 4.02Å; W253-P261 HydrophobicContact CE3-CB 4.02Å; W253-P261 HydrophobicContact CH2-CB 4.02Å; W253-P261 HydrophobicContact CH2-CG 4.06Å; W253-P261 HydrophobicContact CZ2-CB 4.01Å; W253-P261 HydrophobicContact CZ2-CG 4.37Å; W253-P261 HydrophobicContact CZ3-CB 4.04Å; W253-P261 HydrophobicContact CZ3-CG 4.25Å |
| 254 | D | 96.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 56.2 Ų | 56.2 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.6 | 158.2 | -162 | -44.4 | 0 | 0 | 0 | 108.1 | R236 E256 D257 L258 | R236-D254 IonicContact CZ-OD2 3.25Å; R236-D254 IonicContact NH1-OD1 3.44Å; R236-D254 PolarHBondContact NH1-OD1 3.22Å; R236-D254 IonicContact NH1-OD2 2.87Å; R236-D254 PolarHBondContact NH1-OD2 3Å; R236-D254 IonicContact NH2-OD2 3.42Å; D254-E256 PolarHBondContact O-N 3.24Å; D254-E256 PolarHBondContact OD1-N 3.46Å; D254-D257 HydrophobicContact CB-CB 4.46Å; D254-D257 CarbonylContact O-C 3.39Å; D254-D257 PolarHBondContact O-N 3.35Å; D254-L258 VanDerWaalsContact O-CD2 3.29Å; D254-L258 WeakPolarHBondContact O-CD2 3.44Å |
| 255 | Q | 96.1 | Very high | 96 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -23.7 | -179.5 | 77.5 | 177.5 | 31.3 | 0 | 0 | 112.5 | F230 K235 L237 | F230-Q255 HydrophobicContact CE1-CB 4.3Å; F230-Q255 VanDerWaalsContact CE1-OE1 3.32Å; K235-Q255 HydrophobicContact CB-CG 4.15Å; K235-Q255 PolarHBondContact O-N 3.05Å; L237-Q255 HydrophobicContact CD2-CB 4.35Å; L237-Q255 HydrophobicContact CG-CB 4.03Å |
| 256 | E | 96.9 | Very high | 96.1 | Very high | 105 Ų | 105 | 48.6 Ų | 48.6 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -11.5 | -177.9 | -63 | 179.9 | -178.5 | 0 | 0 | 111.9 | Q216 K235 D254 | Q216-E256 VanDerWaalsContact CD-O 3.25Å; Q216-E256 PolarHBondContact NE2-O 2.66Å; K235-E256 IonicContact NZ-OE1 3.35Å; K235-E256 PolarHBondContact NZ-OE1 3.09Å; D254-E256 PolarHBondContact O-N 3.24Å; D254-E256 PolarHBondContact OD1-N 3.46Å |
| 257 | D | 97.3 | Very high | 96.3 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 43% | 0.433 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -145 | 101.2 | 175.7 | -178.6 | 6.3 | 0 | 0 | 0 | 110.9 | D254 S259 | D254-D257 HydrophobicContact CB-CB 4.46Å; D254-D257 CarbonylContact O-C 3.39Å; D254-D257 PolarHBondContact O-N 3.35Å; D257-S259 VanDerWaalsContact C-N 3.34Å; D257-S259 VanDerWaalsContact CG-OG 3.3Å; D257-S259 WeakPolarHBondContact OD1-CB 3.42Å; D257-S259 PolarHBondContact OD1-N 3.36Å; D257-S259 PolarHBondContact OD1-OG 2.67Å; D257-S259 PolarHBondContact OD2-OG 2.68Å |
| 258 | L | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | trans | -92.4 | 13.4 | 177.5 | -60.4 | -175.8 | 0 | 0 | 0 | 113.7 | L204 V206 Q216 A218 L237 W253 D254 M260 | L204-L258 HydrophobicContact CD2-CD1 4.05Å; L204-L258 HydrophobicContact CD2-CD2 3.97Å; L204-L258 HydrophobicContact CG-CD1 3.97Å; V206-L258 HydrophobicContact CG2-CD1 4.15Å; Q216-L258 HydrophobicContact CB-CB 4.32Å; Q216-L258 HydrophobicContact CB-CD1 3.66Å; Q216-L258 HydrophobicContact CB-CG 3.71Å; A218-L258 HydrophobicContact CB-CB 3.79Å; A218-L258 HydrophobicContact CB-CD1 4.37Å; A218-L258 WeakPolarHBondContact CB-O 3.37Å; L237-L258 HydrophobicContact CD1-CD2 4Å; W253-L258 HydrophobicContact CB-CD2 3.84Å; W253-L258 HydrophobicContact CD2-CD2 4.49Å; W253-L258 HydrophobicContact CE3-CD2 4.29Å; W253-L258 HydrophobicContact CG-CD2 4.34Å; D254-L258 VanDerWaalsContact O-CD2 3.29Å; D254-L258 WeakPolarHBondContact O-CD2 3.44Å; L258-M260 VanDerWaalsContact C-N 3.26Å; L258-M260 PolarHBondContact O-N 3.46Å | ||
| 259 | S | 95.8 | Very high | 96.3 | Very high | 92 Ų | 92 | 48.1 Ų | 48.1 | 64% | 0.643 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -61 | -36.7 | -179.5 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | D257 | D257-S259 VanDerWaalsContact C-N 3.34Å; D257-S259 VanDerWaalsContact CG-OG 3.3Å; D257-S259 WeakPolarHBondContact OD1-CB 3.42Å; D257-S259 PolarHBondContact OD1-N 3.36Å; D257-S259 PolarHBondContact OD1-OG 2.67Å; D257-S259 PolarHBondContact OD2-OG 2.68Å |
| 260 | M | 94.9 | Very high | 96.2 | Very high | 131 Ų | 131 | 51.5 Ų | 51.5 | 65% | 0.645 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -151.7 | 149.8 | 176 | 61.7 | -176 | -63.9 | 0 | 0 | 112.1 | L258 | L258-M260 VanDerWaalsContact C-N 3.26Å; L258-M260 PolarHBondContact O-N 3.46Å |
| 261 | P | 95.7 | Very high | 96 | Very high | 28 Ų | 28 | 57.3 Ų | 57.3 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | trans | -70.7 | 147.4 | 173.8 | 29.1 | -32.3 | 0 | 0 | 0 | 111 | A251 L252 W253 I263 E264 | A251-P261 HydrophobicContact CB-CB 4.04Å; L252-P261 CarbonylContact O-C 3.52Å; L252-P261 WeakPolarHBondContact O-CA 3.42Å; L252-P261 WeakPolarHBondContact O-CB 3.47Å; W253-P261 HydrophobicContact CD2-CB 4.02Å; W253-P261 HydrophobicContact CE3-CB 4.02Å; W253-P261 HydrophobicContact CH2-CB 4.02Å; W253-P261 HydrophobicContact CH2-CG 4.06Å; W253-P261 HydrophobicContact CZ2-CB 4.01Å; W253-P261 HydrophobicContact CZ2-CG 4.37Å; W253-P261 HydrophobicContact CZ3-CB 4.04Å; W253-P261 HydrophobicContact CZ3-CG 4.25Å; P261-I263 VanDerWaalsContact C-N 3.34Å; P261-E264 HydrophobicContact CB-CG 3.96Å; P261-E264 HydrophobicContact CG-CG 3.48Å; P261-E264 VanDerWaalsContact CG-CG 3.48Å; P261-E264 WeakPolarHBondContact CG-OE1 3.37Å | ||
| 262 | L | 95.6 | Very high | 95.9 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -68.6 | -35.5 | 173.2 | -61.7 | 175.7 | 0 | 0 | 0 | 111.8 | R236 L252 Y306 | R236-L262 VanDerWaalsContact NE-CD1 3.35Å; L252-L262 HydrophobicContact CB-CB 4.45Å; L252-L262 HydrophobicContact CD2-CB 4.48Å; L252-L262 HydrophobicContact CD2-CD1 4.19Å; L252-L262 HydrophobicContact CG-CD1 4.26Å; L252-L262 PolarHBondContact O-N 3.12Å; L262-Y306 HydrophobicContact CB-CE2 4.26Å |
| 263 | I | 95.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 58.8 Ų | 58.8 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 149.3 | 173.6 | -167.6 | 170.4 | 0 | 0 | 0 | 109.4 | A251 L252 P261 E265 Y306 L307 | A251-I263 CarbonylContact C-O 3.51Å; A251-I263 VanDerWaalsContact CA-O 3.26Å; A251-I263 WeakPolarHBondContact CA-O 3.28Å; L252-I263 HydrophobicContact CB-CG2 3.67Å; L252-I263 HydrophobicContact CD2-CG2 4.42Å; L252-I263 PolarHBondContact N-O 2.89Å; P261-I263 VanDerWaalsContact C-N 3.34Å; I263-E265 HydrophobicContact CD1-CG 4.05Å; I263-E265 HydrophobicContact CG1-CG 4.15Å; I263-Y306 HydrophobicContact CB-CD2 4.43Å; I263-Y306 HydrophobicContact CG2-CD2 4.41Å; I263-L307 HydrophobicContact CG2-CD1 3.41Å; I263-L307 VanDerWaalsContact CG2-CD1 3.41Å |
| 264 | E | 94.9 | Very high | 95.7 | Very high | 97 Ų | 97 | 58.6 Ų | 58.6 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.2 | 167.9 | -60.2 | -174.7 | 139.4 | 0 | 0 | 108.3 | I250 A251 P261 | I250-E264 WeakPolarHBondContact O-CA 3.24Å; A251-E264 HydrophobicContact CB-CG 3.99Å; P261-E264 HydrophobicContact CB-CG 3.96Å; P261-E264 HydrophobicContact CG-CG 3.48Å; P261-E264 VanDerWaalsContact CG-CG 3.48Å; P261-E264 WeakPolarHBondContact CG-OE1 3.37Å |
| 265 | E | 94.5 | Very high | 95.8 | Very high | 57 Ų | 57 | 56.9 Ų | 56.9 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.7 | 176.5 | -66 | -168.7 | 165.9 | 0 | 0 | 110.3 | Q249 I250 I263 | Q249-E265 WeakPolarHBondContact CA-O 3.43Å; Q249-E265 WeakPolarHBondContact CG-O 3.47Å; I250-E265 HydrophobicContact CD1-CB 4.32Å; I250-E265 HydrophobicContact CG1-CB 3.9Å; I250-E265 PolarHBondContact N-O 3.34Å; I250-E265 PolarHBondContact O-N 3.44Å; I263-E265 HydrophobicContact CD1-CG 4.05Å; I263-E265 HydrophobicContact CG1-CG 4.15Å |
| 266 | E | 95.5 | Very high | 95.9 | Very high | 108 Ų | 108 | 56.5 Ų | 56.5 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 134.3 | 168.4 | -61.7 | -163 | -175.8 | 0 | 0 | 109.8 | T247 | T247-E266 PolarHBondContact OG1-OE2 2.89Å |
| 267 | I | 96.5 | Very high | 96 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 14% | 0.138 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -57.8 | -175.1 | -56.9 | -62.1 | 0 | 0 | 0 | 110.7 | R248 I250 L274 L287 | R248-I267 HydrophobicContact CB-CB 4.31Å; R248-I267 PolarHBondContact O-N 3.22Å; I250-I267 HydrophobicContact CD1-CD1 3.87Å; I250-I267 HydrophobicContact CG1-CD1 3.98Å; I250-I267 HydrophobicContact CG2-CD1 4.08Å; I250-I267 HydrophobicContact CG2-CG1 3.99Å; I267-L274 HydrophobicContact CG1-CD2 4.07Å; I267-L274 HydrophobicContact CG2-CD2 4.48Å; I267-L287 HydrophobicContact CD1-CD1 4.06Å |
| 268 | D | 96.1 | Very high | 96 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 177.3 | 177.6 | 55.3 | 44.6 | 0 | 0 | 0 | 111.2 | T247 R248 L270 R296 | T247-D268 CarbonylContact C-O 3.58Å; T247-D268 WeakPolarHBondContact CA-O 3.31Å; T247-D268 WeakPolarHBondContact CB-O 3.47Å; R248-D268 IonicContact CZ-OD1 3.45Å; R248-D268 VanDerWaalsContact CZ-OD1 3.25Å; R248-D268 IonicContact CZ-OD2 2.74Å; R248-D268 PolarHBondContact N-O 2.64Å; R248-D268 IonicContact NE-OD1 2.63Å; R248-D268 PolarHBondContact NE-OD1 3.42Å; R248-D268 IonicContact NE-OD2 2.72Å; R248-D268 VanDerWaalsContact NH2-CG 3.29Å; R248-D268 IonicContact NH2-OD1 3.09Å; R248-D268 PolarHBondContact NH2-OD1 2.96Å; R248-D268 IonicContact NH2-OD2 3.89Å; R248-D268 PolarHBondContact NH2-OD2 2.83Å; D268-L270 WeakPolarHBondContact OD1-CB 3.33Å; D268-L270 PolarHBondContact OD1-N 2.85Å; D268-L270 VanDerWaalsContact OD1-N 3.12Å; D268-R296 IonicContact OD2-CZ 3.6Å; D268-R296 IonicContact OD2-NH1 2.93Å; D268-R296 PolarHBondContact OD2-NH1 3.45Å; D268-R296 IonicContact OD2-NH2 3.7Å; D268-R296 PolarHBondContact OD2-NH2 3.01Å |
| 269 | G | 95.9 | Very high | 96 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 66% | 0.66 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -89.8 | 17.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 270 | L | 95.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 44% | 0.44 | 28% | 0.279 | S | S | . | . | trans | -76.8 | 156.5 | 179.3 | -58.7 | -178.3 | 0 | 0 | 0 | 111.4 | R248 D268 | R248-L270 WeakPolarHBondContact CD-O 3.15Å; R248-L270 WeakPolarHBondContact CG-O 3.16Å; D268-L270 WeakPolarHBondContact OD1-CB 3.33Å; D268-L270 PolarHBondContact OD1-N 2.85Å; D268-L270 VanDerWaalsContact OD1-N 3.12Å | ||
| 271 | S | 92.6 | Very high | 96.2 | Very high | 124 Ų | 124 | 43.3 Ų | 43.3 | 87% | 0.867 | 26% | 0.255 | S | S | * | . | trans | -96.5 | -15.5 | -176 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 272 | G | 93.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -64.3 | 131.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R248 L274 K290 | R248-G272 WeakPolarHBondContact CD-O 3.18Å; R248-G272 PolarHBondContact NH1-O 3.08Å; R248-G272 VanDerWaalsContact NH1-O 3.15Å; G272-L274 PolarHBondContact O-N 3.33Å; G272-K290 WeakPolarHBondContact CA-O 2.96Å |
| 273 | L | 95.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 128 | 175.8 | 178.1 | 138.7 | 0 | 0 | 0 | 110.6 | D42 N226 R227 F275 G289 K290 | D42-L273 HydrophobicContact CB-CD1 3.79Å; N226-L273 HydrophobicContact CB-CD1 3.69Å; N226-L273 HydrophobicContact CB-CG 4.42Å; R227-L273 HydrophobicContact CG-CD2 4.21Å; L273-F275 HydrophobicContact CD2-CD1 3.57Å; L273-F275 HydrophobicContact CD2-CD2 4.15Å; L273-F275 HydrophobicContact CD2-CE1 3.44Å; L273-F275 VanDerWaalsContact CD2-CE1 3.44Å; L273-F275 HydrophobicContact CD2-CE2 3.98Å; L273-F275 HydrophobicContact CD2-CG 3.96Å; L273-F275 HydrophobicContact CD2-CZ 3.63Å; L273-G289 CarbonylContact O-C 3.51Å; L273-G289 VanDerWaalsContact O-CA 3.32Å; L273-G289 WeakPolarHBondContact O-CA 3.29Å; L273-K290 PolarHBondContact O-N 2.85Å |
| 274 | L | 97.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116.1 | -177.4 | -167.4 | 63.2 | 0 | 0 | 0 | 110.3 | T240 I250 I267 G272 P276 L287 | T240-L274 WeakPolarHBondContact CB-O 3.49Å; T240-L274 HydrophobicContact CG2-CD2 4.3Å; T240-L274 HydrophobicContact CG2-CG 4.34Å; T240-L274 PolarHBondContact OG1-O 3.3Å; I250-L274 HydrophobicContact CG2-CD2 4.07Å; I267-L274 HydrophobicContact CG1-CD2 4.07Å; I267-L274 HydrophobicContact CG2-CD2 4.48Å; G272-L274 PolarHBondContact O-N 3.33Å; L274-P276 WeakPolarHBondContact O-CD 3.45Å; L274-L287 HydrophobicContact CD1-CB 4.03Å; L274-L287 HydrophobicContact CD2-CB 4.36Å; L274-L287 HydrophobicContact CD2-CD1 4.14Å; L274-L287 HydrophobicContact CD2-CD2 4.49Å; L274-L287 HydrophobicContact CG-CB 4.26Å |
| 275 | F | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.4 | 175.6 | -61.5 | -79.5 | 0 | 0 | 0 | 110.5 | H44 L273 F277 L287 A288 K290 | H44-F275 AromaticContact CE1-CD1 3.29Å; H44-F275 WeakPolarHBondContact CE1-CD1 3.41Å; H44-F275 AromaticContact CE1-CE1 3.77Å; H44-F275 AromaticContact CE1-CG 3.83Å; H44-F275 AromaticContact ND1-CD1 3.79Å; H44-F275 AromaticContact ND1-CE1 3.9Å; H44-F275 AromaticContact NE2-CD1 3.98Å; L273-F275 HydrophobicContact CD2-CD1 3.57Å; L273-F275 HydrophobicContact CD2-CD2 4.15Å; L273-F275 HydrophobicContact CD2-CE1 3.44Å; L273-F275 VanDerWaalsContact CD2-CE1 3.44Å; L273-F275 HydrophobicContact CD2-CE2 3.98Å; L273-F275 HydrophobicContact CD2-CG 3.96Å; L273-F275 HydrophobicContact CD2-CZ 3.63Å; F275-F277 HydrophobicContact CB-CD2 4.36Å; F275-F277 HydrophobicContact CB-CE2 3.54Å; F275-F277 HydrophobicContact CB-CZ 3.83Å; F275-F277 HydrophobicContact CG-CZ 4.48Å; F275-L287 WeakPolarHBondContact O-CA 3.25Å; F275-A288 WeakPolarHBondContact CB-O 3.3Å; F275-A288 VanDerWaalsContact CD2-O 3.3Å; F275-A288 WeakPolarHBondContact CD2-O 3.46Å; F275-A288 PolarHBondContact N-O 3.13Å; F275-A288 PolarHBondContact O-N 2.88Å; F275-K290 HydrophobicContact CE2-CB 3.91Å |
| 276 | P | 98.4 | Very high | 96.7 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.071 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 131.9 | 167.1 | 33.9 | -31.9 | 0 | 0 | 0 | 111.1 | R227 V229 L238 T240 L274 L285 L287 | R227-P276 HydrophobicContact CB-CG 3.85Å; V229-P276 HydrophobicContact CG1-CB 4.39Å; V229-P276 HydrophobicContact CG1-CG 3.92Å; V229-P276 HydrophobicContact CG2-CB 3.99Å; V229-P276 HydrophobicContact CG2-CG 4.15Å; L238-P276 HydrophobicContact CD2-CB 3.88Å; T240-P276 HydrophobicContact CG2-CB 3.78Å; T240-P276 HydrophobicContact CG2-CG 3.76Å; L274-P276 WeakPolarHBondContact O-CD 3.45Å; P276-L285 HydrophobicContact CB-CD1 4.09Å; P276-L287 HydrophobicContact CB-CD2 4.02Å |
| 277 | F | 98.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 28.5 Ų | 28.5 | 9% | 0.088 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 116.5 | 168.6 | -55.1 | -89.2 | 0 | 0 | 0 | 108.2 | H44 F275 Y286 A288 L322 V324 F338 F340 | H44-F277 AromaticContact CE1-CE1 3.37Å; H44-F277 WeakPolarHBondContact CE1-CE1 3.48Å; H44-F277 AromaticContact CE1-CZ 3.33Å; H44-F277 WeakPolarHBondContact CE1-CZ 3.41Å; H44-F277 AromaticContact ND1-CE1 3.74Å; H44-F277 AromaticContact ND1-CZ 3.54Å; F275-F277 HydrophobicContact CB-CD2 4.36Å; F275-F277 HydrophobicContact CB-CE2 3.54Å; F275-F277 HydrophobicContact CB-CZ 3.83Å; F275-F277 HydrophobicContact CG-CZ 4.48Å; F277-Y286 PolarHBondContact N-O 3.09Å; F277-Y286 PolarHBondContact O-N 3.25Å; F277-A288 HydrophobicContact CE2-CB 4.02Å; F277-L322 HydrophobicContact CE2-CB 4.35Å; F277-L322 HydrophobicContact CE2-CD1 3.81Å; F277-L322 HydrophobicContact CZ-CB 3.82Å; F277-L322 HydrophobicContact CZ-CD1 4.1Å; F277-V324 HydrophobicContact CD1-CG2 3.49Å; F277-V324 VanDerWaalsContact CD1-CG2 3.49Å; F277-V324 HydrophobicContact CE1-CG2 3.67Å; F277-V324 HydrophobicContact CG-CG2 4.28Å; F277-F338 HydrophobicContact CB-CE1 4.44Å; F277-F338 HydrophobicContact CB-CZ 4.03Å; F277-F340 HydrophobicContact CB-CE1 4.37Å; F277-F340 HydrophobicContact CD1-CE1 4.45Å; F277-F340 AromaticContact CD2-CE1 3.77Å; F277-F340 HydrophobicContact CD2-CE1 3.77Å; F277-F340 HydrophobicContact CD2-CZ 4.39Å; F277-F340 HydrophobicContact CE2-CE1 4.1Å; F277-F340 AromaticContact CG-CE1 3.95Å; F277-F340 HydrophobicContact CG-CE1 3.95Å |
| 278 | Y | 98.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 27.2 Ų | 27.2 | 14% | 0.141 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.4 | -178.7 | 177.6 | -106.2 | 0 | 0 | 0 | 110.4 | L231 M234 A280 H283 I300 | L231-Y278 HydrophobicContact CB-CD1 4.37Å; L231-Y278 HydrophobicContact CB-CE1 4.02Å; L231-Y278 HydrophobicContact CB-CE2 4.22Å; L231-Y278 HydrophobicContact CD2-CD1 4.06Å; L231-Y278 HydrophobicContact CD2-CD2 3.61Å; L231-Y278 HydrophobicContact CD2-CE1 4.46Å; L231-Y278 HydrophobicContact CD2-CE2 4.03Å; L231-Y278 HydrophobicContact CD2-CG 3.6Å; M234-Y278 PolarHBondContact SD-OH 2.75Å; Y278-A280 HydrophobicContact CD1-CB 4.43Å; Y278-A280 VanDerWaalsContact CE1-CA 3.49Å; Y278-A280 HydrophobicContact CE1-CB 3.87Å; Y278-H283 HydrophobicContact CE2-CB 4.49Å; Y278-H283 PolarHBondContact OH-ND1 3.4Å; Y278-I300 HydrophobicContact CD2-CG1 4.46Å; Y278-I300 HydrophobicContact CE2-CB 4.34Å; Y278-I300 HydrophobicContact CE2-CG1 4.17Å |
| 279 | D | 98.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.032 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 106.6 | 174.6 | 178.2 | 6.3 | 0 | 0 | 0 | 109.7 | D281 T282 H283 M284 Y286 K327 F338 | D279-D281 VanDerWaalsContact C-N 3.26Å; D279-D281 PolarHBondContact O-N 2.97Å; D279-D281 PolarHBondContact OD1-N 3.24Å; D279-D281 VanDerWaalsContact OD1-N 3.12Å; D279-T282 WeakPolarHBondContact CB-OG1 3.08Å; D279-T282 PolarHBondContact O-N 3.26Å; D279-T282 WeakPolarHBondContact OD2-CB 3.36Å; D279-T282 WeakPolarHBondContact OD2-CG2 3.48Å; D279-T282 PolarHBondContact OD2-OG1 2.96Å; D279-H283 WeakPolarHBondContact O-CA 3.26Å; D279-H283 PolarHBondContact O-N 2.71Å; D279-M284 HydrophobicContact CB-CB 4.48Å; D279-M284 PolarHBondContact N-O 2.87Å; D279-M284 PolarHBondContact O-N 3.17Å; D279-Y286 HydrophobicContact CB-CE2 4.4Å; D279-K327 VanDerWaalsContact CG-CE 3.46Å; D279-K327 WeakPolarHBondContact OD1-CE 3.39Å; D279-K327 IonicContact OD1-NZ 3.21Å; D279-K327 PolarHBondContact OD1-NZ 3.13Å; D279-K327 IonicContact OD2-NZ 3.64Å; D279-K327 PolarHBondContact OD2-NZ 3.47Å; D279-F338 HydrophobicContact CB-CD2 3.99Å; D279-F338 HydrophobicContact CB-CE2 3.99Å |
| 280 | A | 96.4 | Very high | 96.9 | Very high | 46 Ų | 46 | 24.2 Ų | 24.2 | 38% | 0.38 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y278 H283 | Y278-A280 HydrophobicContact CD1-CB 4.43Å; Y278-A280 VanDerWaalsContact CE1-CA 3.49Å; Y278-A280 HydrophobicContact CE1-CB 3.87Å; A280-H283 PolarHBondContact O-CE1 2.83Å; A280-H283 VanDerWaalsContact O-CE1 3.3Å; A280-H283 PolarHBondContact O-ND1 3.31Å |
| 281 | D | 96.8 | Very high | 96.9 | Very high | 26 Ų | 26 | 22.6 Ų | 22.6 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -32.8 | -177.4 | -64.9 | -8.9 | 0 | 0 | 0 | 111.7 | D279 K327 P370 T372 | D279-D281 VanDerWaalsContact C-N 3.26Å; D279-D281 PolarHBondContact O-N 2.97Å; D279-D281 PolarHBondContact OD1-N 3.24Å; D279-D281 VanDerWaalsContact OD1-N 3.12Å; D281-K327 VanDerWaalsContact OD2-CD 3.23Å; D281-K327 WeakPolarHBondContact OD2-CD 3.25Å; D281-K327 WeakPolarHBondContact OD2-CE 3.44Å; D281-K327 WeakPolarHBondContact OD2-CG 3.44Å; D281-K327 IonicContact OD2-NZ 3.5Å; D281-P370 HydrophobicContact CB-CG 3.71Å; D281-P370 WeakPolarHBondContact O-CG 3.28Å; D281-T372 PolarHBondContact OD1-OG1 3.1Å; D281-T372 WeakPolarHBondContact OD2-CB 3.49Å; D281-T372 PolarHBondContact OD2-OG1 3.44Å |
| 282 | T | 96.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -10 | -176.4 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | F17 D279 M284 V337 | F17-T282 HydrophobicContact CE1-CG2 3.76Å; F17-T282 WeakPolarHBondContact CE2-O 3.48Å; F17-T282 HydrophobicContact CZ-CG2 3.58Å; D279-T282 WeakPolarHBondContact CB-OG1 3.08Å; D279-T282 PolarHBondContact O-N 3.26Å; D279-T282 WeakPolarHBondContact OD2-CB 3.36Å; D279-T282 WeakPolarHBondContact OD2-CG2 3.48Å; D279-T282 PolarHBondContact OD2-OG1 2.96Å; T282-M284 PolarHBondContact O-N 3.3Å; T282-M284 WeakPolarHBondContact OG1-CB 3.43Å; T282-M284 WeakPolarHBondContact OG1-CG 3.22Å; T282-M284 PolarHBondContact OG1-N 3.33Å; T282-V337 HydrophobicContact CG2-CB 4.29Å |
| 283 | H | 96.8 | Very high | 97.2 | Very high | 79 Ų | 79 | 17.4 Ų | 17.4 | 37% | 0.366 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 22.4 | -168.1 | -50.6 | -51.1 | 0 | 0 | 0 | 113.7 | Y278 D279 A280 I300 | Y278-H283 HydrophobicContact CE2-CB 4.49Å; Y278-H283 PolarHBondContact OH-ND1 3.4Å; D279-H283 WeakPolarHBondContact O-CA 3.26Å; D279-H283 PolarHBondContact O-N 2.71Å; A280-H283 PolarHBondContact O-CE1 2.83Å; A280-H283 VanDerWaalsContact O-CE1 3.3Å; A280-H283 PolarHBondContact O-ND1 3.31Å; H283-I300 PolarHBondContact O-N 2.81Å |
| 284 | M | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.6 | 173.2 | -68.6 | -169.9 | 64.9 | 0 | 0 | 110.8 | F17 V20 D279 T282 Y286 Y297 Y298 L310 V337 | F17-M284 HydrophobicContact CB-CG 4.37Å; F17-M284 HydrophobicContact CB-SD 3.8Å; F17-M284 HydrophobicContact CD1-SD 3.81Å; F17-M284 HydrophobicContact CD2-CG 4.27Å; F17-M284 HydrophobicContact CD2-SD 4.48Å; F17-M284 HydrophobicContact CG-CG 4.16Å; F17-M284 HydrophobicContact CG-SD 3.79Å; V20-M284 HydrophobicContact CB-CE 4.23Å; V20-M284 HydrophobicContact CG1-CE 4.05Å; V20-M284 HydrophobicContact CG2-CE 4.27Å; V20-M284 HydrophobicContact CG2-SD 4.08Å; D279-M284 HydrophobicContact CB-CB 4.48Å; D279-M284 PolarHBondContact N-O 2.87Å; D279-M284 PolarHBondContact O-N 3.17Å; T282-M284 PolarHBondContact O-N 3.3Å; T282-M284 WeakPolarHBondContact OG1-CB 3.43Å; T282-M284 WeakPolarHBondContact OG1-CG 3.22Å; T282-M284 PolarHBondContact OG1-N 3.33Å; M284-Y286 HydrophobicContact CB-CE2 3.79Å; M284-Y286 HydrophobicContact CE-CE1 3.83Å; M284-Y286 WeakPolarHBondContact CE-OH 3.08Å; M284-Y286 PolarHBondContact SD-OH 2.95Å; M284-Y286 VanDerWaalsContact SD-OH 3.37Å; M284-Y297 HydrophobicContact CE-CD2 3.85Å; M284-Y297 HydrophobicContact CE-CG 4.23Å; M284-Y298 CarbonylContact C-O 3.56Å; M284-Y298 WeakPolarHBondContact CA-O 3.47Å; M284-L310 HydrophobicContact CE-CD1 3.75Å; M284-V337 HydrophobicContact SD-CG2 4.5Å |
| 285 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.2 | 170.3 | 170.7 | 67.9 | 0 | 0 | 0 | 108.8 | L238 P276 L287 Y297 Y298 I300 L307 | L238-L285 HydrophobicContact CD1-CD2 3.96Å; L238-L285 HydrophobicContact CD2-CD1 3.51Å; L238-L285 HydrophobicContact CD2-CD2 3.41Å; L238-L285 VanDerWaalsContact CD2-CD2 3.41Å; L238-L285 HydrophobicContact CD2-CG 4.08Å; L238-L285 HydrophobicContact CG-CD2 4.32Å; P276-L285 HydrophobicContact CB-CD1 4.09Å; L285-L287 HydrophobicContact CD1-CD2 3.98Å; L285-L287 HydrophobicContact CD2-CD1 4.48Å; L285-L287 HydrophobicContact CD2-CD2 4.02Å; L285-L287 HydrophobicContact CD2-CG 4.23Å; L285-L287 HydrophobicContact CG-CD2 4Å; L285-L287 HydrophobicContact CG-CG 4.21Å; L285-Y297 CarbonylContact O-C 3.45Å; L285-Y297 WeakPolarHBondContact O-CA 3.16Å; L285-Y297 WeakPolarHBondContact O-CB 3.32Å; L285-Y298 PolarHBondContact N-O 3.06Å; L285-Y298 PolarHBondContact O-N 3.42Å; L285-I300 HydrophobicContact CB-CD1 3.87Å; L285-I300 HydrophobicContact CB-CG1 3.83Å; L285-I300 HydrophobicContact CD2-CD1 3.86Å; L285-L307 HydrophobicContact CD2-CD2 4.29Å |
| 286 | Y | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.1 | 172.2 | -52.8 | -96 | 0 | 0 | 0 | 109.8 | F277 D279 M284 I295 R296 Y297 F338 F340 M355 | F277-Y286 PolarHBondContact N-O 3.09Å; F277-Y286 PolarHBondContact O-N 3.25Å; D279-Y286 HydrophobicContact CB-CE2 4.4Å; M284-Y286 HydrophobicContact CB-CE2 3.79Å; M284-Y286 HydrophobicContact CE-CE1 3.83Å; M284-Y286 WeakPolarHBondContact CE-OH 3.08Å; M284-Y286 PolarHBondContact SD-OH 2.95Å; M284-Y286 VanDerWaalsContact SD-OH 3.37Å; Y286-I295 HydrophobicContact CD1-CG2 4.37Å; Y286-R296 CarbonylContact C-O 3.57Å; Y286-R296 WeakPolarHBondContact CA-O 3.41Å; Y286-Y297 HydrophobicContact CD1-CD1 4.03Å; Y286-Y297 HydrophobicContact CD1-CG 4.04Å; Y286-Y297 HydrophobicContact CE1-CD1 4.27Å; Y286-Y297 HydrophobicContact CE1-CG 4.09Å; Y286-F338 HydrophobicContact CD2-CD1 4.25Å; Y286-F338 HydrophobicContact CD2-CD2 4.34Å; Y286-F338 HydrophobicContact CD2-CE1 4.26Å; Y286-F338 HydrophobicContact CD2-CE2 4.34Å; Y286-F338 HydrophobicContact CD2-CG 4.28Å; Y286-F338 HydrophobicContact CD2-CZ 4.28Å; Y286-F338 HydrophobicContact CE2-CB 4.03Å; Y286-F338 HydrophobicContact CE2-CD1 4.05Å; Y286-F338 AromaticContact CE2-CD2 3.71Å; Y286-F338 HydrophobicContact CE2-CD2 3.71Å; Y286-F338 HydrophobicContact CE2-CE1 4.43Å; Y286-F338 HydrophobicContact CE2-CE2 4.12Å; Y286-F338 AromaticContact CE2-CG 3.66Å; Y286-F338 HydrophobicContact CE2-CG 3.66Å; Y286-F338 HydrophobicContact CE2-CZ 4.44Å; Y286-F338 AromaticContact CZ-CG 3.94Å; Y286-F338 WeakPolarHBondContact OH-CB 3.42Å; Y286-F340 AromaticContact CD1-CE2 3.87Å; Y286-F340 HydrophobicContact CD1-CE2 3.87Å; Y286-F340 AromaticContact CD1-CZ 3.98Å; Y286-F340 HydrophobicContact CD1-CZ 3.98Å; Y286-F340 HydrophobicContact CD2-CZ 4.22Å; Y286-F340 HydrophobicContact CE1-CE2 4.39Å; Y286-F340 HydrophobicContact CG-CE2 4.07Å; Y286-F340 AromaticContact CG-CZ 3.68Å; Y286-F340 HydrophobicContact CG-CZ 3.68Å; Y286-M355 HydrophobicContact CD1-CG 4.48Å; Y286-M355 HydrophobicContact CE1-CB 4.3Å; Y286-M355 HydrophobicContact CE1-CE 4.01Å; Y286-M355 HydrophobicContact CE1-CG 3.75Å; Y286-M355 HydrophobicContact CE1-SD 4.43Å |
| 287 | L | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.3 | 178.4 | -61.6 | -176.5 | 0 | 0 | 0 | 109.5 | L238 T240 I250 I267 L274 F275 P276 L285 R296 Y298 | L238-L287 HydrophobicContact CD2-CD2 4.39Å; T240-L287 HydrophobicContact CG2-CD2 4.1Å; I250-L287 HydrophobicContact CD1-CD1 4.14Å; I250-L287 HydrophobicContact CG2-CD1 3.77Å; I250-L287 HydrophobicContact CG2-CD2 4.44Å; I267-L287 HydrophobicContact CD1-CD1 4.06Å; L274-L287 HydrophobicContact CD1-CB 4.03Å; L274-L287 HydrophobicContact CD2-CB 4.36Å; L274-L287 HydrophobicContact CD2-CD1 4.14Å; L274-L287 HydrophobicContact CD2-CD2 4.49Å; L274-L287 HydrophobicContact CG-CB 4.26Å; F275-L287 WeakPolarHBondContact O-CA 3.25Å; P276-L287 HydrophobicContact CB-CD2 4.02Å; L285-L287 HydrophobicContact CD1-CD2 3.98Å; L285-L287 HydrophobicContact CD2-CD1 4.48Å; L285-L287 HydrophobicContact CD2-CD2 4.02Å; L285-L287 HydrophobicContact CD2-CG 4.23Å; L285-L287 HydrophobicContact CG-CD2 4Å; L285-L287 HydrophobicContact CG-CG 4.21Å; L287-R296 HydrophobicContact CB-CB 4.46Å; L287-R296 PolarHBondContact N-O 3.23Å; L287-R296 PolarHBondContact O-N 3.21Å; L287-Y298 HydrophobicContact CD1-CD2 4.17Å; L287-Y298 HydrophobicContact CD1-CE2 3.59Å; L287-Y298 HydrophobicContact CG-CD2 4.38Å; L287-Y298 HydrophobicContact CG-CE2 4.12Å |
| 288 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 119.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F275 F277 I295 Q319 L322 | F275-A288 WeakPolarHBondContact CB-O 3.3Å; F275-A288 VanDerWaalsContact CD2-O 3.3Å; F275-A288 WeakPolarHBondContact CD2-O 3.46Å; F275-A288 PolarHBondContact N-O 3.13Å; F275-A288 PolarHBondContact O-N 2.88Å; F277-A288 HydrophobicContact CE2-CB 4.02Å; A288-I295 HydrophobicContact CB-CG1 4.14Å; A288-I295 HydrophobicContact CB-CG2 4.25Å; A288-Q319 VanDerWaalsContact C-NE2 3.33Å; A288-L322 HydrophobicContact CB-CD1 3.26Å |
| 289 | G | 96.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 144.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | L273 G291 D292 Q319 | L273-G289 CarbonylContact O-C 3.51Å; L273-G289 VanDerWaalsContact O-CA 3.32Å; L273-G289 WeakPolarHBondContact O-CA 3.29Å; G289-G291 PolarHBondContact O-N 2.93Å; G289-D292 VanDerWaalsContact CA-OD2 3.25Å; G289-D292 WeakPolarHBondContact CA-OD2 3.38Å; G289-D292 PolarHBondContact N-OD2 2.83Å; G289-D292 WeakPolarHBondContact O-CB 3.39Å; G289-D292 PolarHBondContact O-N 3.19Å; G289-Q319 WeakPolarHBondContact O-CG 3.27Å; G289-Q319 PolarHBondContact O-NE2 2.86Å |
| 290 | K | 95.4 | Very high | 97 | Very high | 32 Ų | 32 | 19 Ų | 19 | 14% | 0.139 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 120.6 | 166.6 | -171.7 | 173.5 | -179.2 | 178 | 0 | 109.4 | V40 H41 D42 G272 L273 F275 D292 | V40-K290 PolarHBondContact O-NZ 3.48Å; H41-K290 PolarHBondContact O-NZ 3.35Å; D42-K290 IonicContact OD1-NZ 3.18Å; D42-K290 PolarHBondContact OD1-NZ 3.3Å; G272-K290 WeakPolarHBondContact CA-O 2.96Å; L273-K290 PolarHBondContact O-N 2.85Å; F275-K290 HydrophobicContact CE2-CB 3.91Å; K290-D292 VanDerWaalsContact C-N 3.34Å |
| 291 | G | 95.4 | Very high | 96.9 | Very high | 49 Ų | 49 | 19 Ų | 19 | 51% | 0.505 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -7.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G289 P318 Q319 | G289-G291 PolarHBondContact O-N 2.93Å; G291-P318 VanDerWaalsContact O-CB 3.24Å; G291-P318 WeakPolarHBondContact O-CB 3.46Å; G291-Q319 PolarHBondContact N-O 3.37Å |
| 292 | D | 96.2 | Very high | 96.5 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.064 | 13% | 0.126 | C | C | . | . | trans | -83.1 | 153.1 | 178.3 | -65.8 | 4.1 | 0 | 0 | 0 | 111.3 | R248 G289 K290 P318 Q319 | R248-D292 IonicContact CZ-OD2 2.97Å; R248-D292 IonicContact NH1-OD1 3.42Å; R248-D292 PolarHBondContact NH1-OD1 2.71Å; R248-D292 IonicContact NH1-OD2 3.45Å; R248-D292 PolarHBondContact NH1-OD2 3.08Å; R248-D292 IonicContact NH2-OD1 3.95Å; R248-D292 IonicContact NH2-OD2 2.78Å; R248-D292 PolarHBondContact NH2-OD2 2.91Å; G289-D292 VanDerWaalsContact CA-OD2 3.25Å; G289-D292 WeakPolarHBondContact CA-OD2 3.38Å; G289-D292 PolarHBondContact N-OD2 2.83Å; G289-D292 WeakPolarHBondContact O-CB 3.39Å; G289-D292 PolarHBondContact O-N 3.19Å; K290-D292 VanDerWaalsContact C-N 3.34Å; D292-P318 CarbonylContact O-C 3.55Å; D292-P318 WeakPolarHBondContact O-CA 3.3Å; D292-Q319 VanDerWaalsContact O-CG 3.29Å; D292-Q319 WeakPolarHBondContact O-CG 3.47Å; D292-Q319 PolarHBondContact O-N 2.81Å | ||
| 293 | G | 95.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 28 Ų | 28 | 19% | 0.186 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -93.5 | -17.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S315 A317 K342 | G293-S315 CarbonylContact C-O 3.38Å; G293-S315 WeakPolarHBondContact CA-O 3.19Å; G293-S315 WeakPolarHBondContact O-CB 3.45Å; G293-S315 PolarHBondContact O-N 2.95Å; G293-A317 WeakPolarHBondContact CA-O 3.38Å; G293-K342 PolarHBondContact O-NZ 3.35Å |
| 294 | N | 97 | Very high | 95.8 | Very high | 24 Ų | 24 | 32.2 Ų | 32.2 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 161.4 | -174.5 | 66.4 | -30.9 | 0 | 0 | 0 | 113.4 | E312 F313 R314 | N294-E312 PolarHBondContact ND2-OE2 2.73Å; N294-F313 CarbonylContact C-O 3.47Å; N294-F313 WeakPolarHBondContact CA-O 3.25Å; N294-F313 WeakPolarHBondContact CB-O 3.34Å; N294-R314 HydrophobicContact CB-CG 4.32Å |
| 295 | I | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 113.3 | 170.7 | -55 | 175.1 | 0 | 0 | 0 | 106.5 | Y286 A288 Y297 E312 F313 L322 F340 I353 | Y286-I295 HydrophobicContact CD1-CG2 4.37Å; A288-I295 HydrophobicContact CB-CG1 4.14Å; A288-I295 HydrophobicContact CB-CG2 4.25Å; I295-Y297 WeakPolarHBondContact O-CD1 3.21Å; I295-E312 CarbonylContact O-C 3.57Å; I295-E312 WeakPolarHBondContact O-CA 3.34Å; I295-E312 WeakPolarHBondContact O-CB 3.45Å; I295-F313 HydrophobicContact CB-CB 4.38Å; I295-F313 HydrophobicContact CD1-CD1 4.25Å; I295-F313 HydrophobicContact CG1-CD1 4.26Å; I295-F313 PolarHBondContact N-O 3.43Å; I295-F313 PolarHBondContact O-N 3.05Å; I295-L322 HydrophobicContact CD1-CD2 4.19Å; I295-F340 HydrophobicContact CD1-CD2 3.94Å; I295-F340 HydrophobicContact CD1-CE2 4.18Å; I295-F340 HydrophobicContact CD1-CG 4.2Å; I295-F340 HydrophobicContact CG2-CE2 4.2Å; I295-F340 HydrophobicContact CG2-CZ 4.23Å; I295-I353 HydrophobicContact CD1-CD1 4.2Å |
| 296 | R | 98.2 | Very high | 95.3 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 15% | 0.151 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 145.4 | 176.7 | -62.5 | -176.8 | 179.7 | 100.8 | -11.6 | 109.5 | D268 Y286 L287 Y298 Y309 E312 | D268-R296 IonicContact OD2-CZ 3.6Å; D268-R296 IonicContact OD2-NH1 2.93Å; D268-R296 PolarHBondContact OD2-NH1 3.45Å; D268-R296 IonicContact OD2-NH2 3.7Å; D268-R296 PolarHBondContact OD2-NH2 3.01Å; Y286-R296 CarbonylContact C-O 3.57Å; Y286-R296 WeakPolarHBondContact CA-O 3.41Å; L287-R296 HydrophobicContact CB-CB 4.46Å; L287-R296 PolarHBondContact N-O 3.23Å; L287-R296 PolarHBondContact O-N 3.21Å; R296-Y298 HydrophobicContact CB-CE2 3.98Å; R296-Y309 HydrophobicContact CB-CE2 4.4Å; R296-E312 HydrophobicContact CB-CB 4.38Å; R296-E312 HydrophobicContact CG-CB 3.93Å; R296-E312 IonicContact NE-OE2 3.51Å |
| 297 | Y | 97.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145 | 175.2 | 39.6 | -86 | 0 | 0 | 0 | 113.7 | V20 M284 L285 Y286 I295 L310 M311 F313 M355 | V20-Y297 HydrophobicContact CB-CE2 4.36Å; V20-Y297 HydrophobicContact CG1-CE2 4.3Å; V20-Y297 WeakPolarHBondContact O-CE2 3.43Å; V20-Y297 PolarHBondContact O-OH 3.02Å; V20-Y297 VanDerWaalsContact O-OH 3.13Å; M284-Y297 HydrophobicContact CE-CD2 3.85Å; M284-Y297 HydrophobicContact CE-CG 4.23Å; L285-Y297 CarbonylContact O-C 3.45Å; L285-Y297 WeakPolarHBondContact O-CA 3.16Å; L285-Y297 WeakPolarHBondContact O-CB 3.32Å; Y286-Y297 HydrophobicContact CD1-CD1 4.03Å; Y286-Y297 HydrophobicContact CD1-CG 4.04Å; Y286-Y297 HydrophobicContact CE1-CD1 4.27Å; Y286-Y297 HydrophobicContact CE1-CG 4.09Å; I295-Y297 WeakPolarHBondContact O-CD1 3.21Å; Y297-L310 HydrophobicContact CD2-CB 3.93Å; Y297-L310 HydrophobicContact CD2-CD1 4.31Å; Y297-L310 HydrophobicContact CE2-CB 4.33Å; Y297-L310 WeakPolarHBondContact O-CB 3.46Å; Y297-L310 PolarHBondContact O-N 3.17Å; Y297-M311 HydrophobicContact CE2-CB 3.59Å; Y297-M311 PolarHBondContact N-O 3.11Å; Y297-M311 PolarHBondContact O-N 2.98Å; Y297-M311 WeakPolarHBondContact OH-CB 3.37Å; Y297-M311 WeakPolarHBondContact OH-CE 3.49Å; Y297-F313 HydrophobicContact CE1-CB 4.31Å; Y297-M355 HydrophobicContact CD1-CE 3.81Å; Y297-M355 HydrophobicContact CE1-CE 3.43Å; Y297-M355 VanDerWaalsContact CE1-CE 3.43Å; Y297-M355 HydrophobicContact CE2-CE 4.43Å; Y297-M355 HydrophobicContact CG-CE 4.48Å |
| 298 | Y | 97.7 | Very high | 95 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 155.9 | -173.5 | -58.1 | -105.9 | 0 | 0 | 0 | 108.6 | M284 L285 L287 R296 L307 S308 Y309 | M284-Y298 CarbonylContact C-O 3.56Å; M284-Y298 WeakPolarHBondContact CA-O 3.47Å; L285-Y298 PolarHBondContact N-O 3.06Å; L285-Y298 PolarHBondContact O-N 3.42Å; L287-Y298 HydrophobicContact CD1-CD2 4.17Å; L287-Y298 HydrophobicContact CD1-CE2 3.59Å; L287-Y298 HydrophobicContact CG-CD2 4.38Å; L287-Y298 HydrophobicContact CG-CE2 4.12Å; R296-Y298 HydrophobicContact CB-CE2 3.98Å; Y298-L307 HydrophobicContact CD1-CB 4.41Å; Y298-L307 HydrophobicContact CD1-CD2 4.46Å; Y298-S308 CarbonylContact C-O 3.36Å; Y298-S308 VanDerWaalsContact CA-O 3.23Å; Y298-S308 WeakPolarHBondContact CA-O 3.41Å; Y298-Y309 HydrophobicContact CD1-CD2 4.18Å; Y298-Y309 AromaticContact CE1-CD2 3.69Å; Y298-Y309 HydrophobicContact CE1-CD2 3.69Å; Y298-Y309 HydrophobicContact CE1-CG 4.25Å; Y298-Y309 HydrophobicContact CE2-CD2 4.26Å; Y298-Y309 AromaticContact CZ-CD2 3.72Å |
| 299 | E | 96.5 | Very high | 94.8 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134 | 161.6 | -173.2 | 172.8 | -162.8 | 0 | 0 | 108.9 | S15 S308 L310 | S15-E299 WeakPolarHBondContact CB-OE2 3.3Å; S15-E299 PolarHBondContact OG-OE2 3.1Å; E299-S308 PolarHBondContact N-O 2.77Å; E299-S308 PolarHBondContact O-N 2.9Å; E299-L310 HydrophobicContact CB-CD1 4.16Å; E299-L310 HydrophobicContact CB-CD2 4.19Å; E299-L310 HydrophobicContact CB-CG 4.36Å |
| 300 | I | 96 | Very high | 94.8 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 137.2 | 179.4 | -51.4 | -61.2 | 0 | 0 | 0 | 110.1 | L231 M234 Y278 H283 L285 Y306 L307 | L231-I300 HydrophobicContact CD1-CG2 3.97Å; M234-I300 HydrophobicContact CE-CG2 3.89Å; M234-I300 HydrophobicContact SD-CG2 4.07Å; Y278-I300 HydrophobicContact CD2-CG1 4.46Å; Y278-I300 HydrophobicContact CE2-CB 4.34Å; Y278-I300 HydrophobicContact CE2-CG1 4.17Å; H283-I300 PolarHBondContact O-N 2.81Å; L285-I300 HydrophobicContact CB-CD1 3.87Å; L285-I300 HydrophobicContact CB-CG1 3.83Å; L285-I300 HydrophobicContact CD2-CD1 3.86Å; I300-Y306 CarbonylContact C-O 3.54Å; I300-Y306 WeakPolarHBondContact CA-O 3.33Å; I300-L307 HydrophobicContact CD1-CD2 3.79Å; I300-L307 HydrophobicContact CD1-CG 3.73Å |
| 301 | S | 92.9 | Very high | 94.8 | Very high | 46 Ų | 46 | 48 Ų | 48 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | trans | -125.9 | 154.9 | 175.4 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | E303 Y306 | S301-E303 PolarHBondContact OG-N 2.95Å; S301-E303 VanDerWaalsContact OG-N 3.12Å; S301-E303 PolarHBondContact OG-O 2.8Å; S301-Y306 PolarHBondContact N-O 3.42Å | ||
| 302 | T | 89.3 | Confident | 94.9 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -76.5 | -12.6 | 170.2 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | M234 Y306 | M234-T302 HydrophobicContact CB-CG2 4.37Å; M234-T302 HydrophobicContact CE-CG2 3.59Å; T302-Y306 VanDerWaalsContact O-CE1 3.32Å; T302-Y306 WeakPolarHBondContact O-CE1 3.49Å |
| 303 | E | 88.8 | Confident | 95 | Very high | 142 Ų | 142 | 47.5 Ų | 47.5 | 66% | 0.664 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -115 | 154.1 | -179 | -63.4 | -178.2 | -176.9 | 0 | 0 | 111.3 | S301 Y306 | S301-E303 PolarHBondContact OG-N 2.95Å; S301-E303 VanDerWaalsContact OG-N 3.12Å; S301-E303 PolarHBondContact OG-O 2.8Å; E303-Y306 VanDerWaalsContact C-CD1 3.46Å; E303-Y306 VanDerWaalsContact O-CA 3.26Å; E303-Y306 WeakPolarHBondContact O-CA 3.37Å; E303-Y306 PolarHBondContact O-N 2.77Å |
| 304 | K | 90.4 | Very high | 95 | Very high | 169 Ų | 169 | 55.5 Ų | 55.5 | 74% | 0.735 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 138.3 | 176.2 | -72.8 | -176.3 | 177.8 | -178 | 0 | 110.9 | Y306 | K304-Y306 VanDerWaalsContact C-N 3.31Å; K304-Y306 VanDerWaalsContact CA-N 3.33Å; K304-Y306 HydrophobicContact CD-CE2 4.48Å; K304-Y306 HydrophobicContact CG-CD2 4.12Å; K304-Y306 HydrophobicContact CG-CE1 4.28Å; K304-Y306 HydrophobicContact CG-CE2 3.53Å |
| 305 | P | 91.5 | Very high | 94.9 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 53% | 0.532 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -81.8 | 8.2 | 10.3 | 33.8 | -36.7 | 0 | 0 | 0 | 115.5 | L307 | P305-L307 PolarHBondContact O-N 3.14Š|
| 306 | Y | 93.8 | Very high | 94.7 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 14% | 0.137 | 31% | 0.308 | C | S | . | . | trans | 65.8 | -44.9 | -176.2 | -49.2 | -67.8 | 0 | 0 | 0 | 115.1 | L252 L262 I263 I300 S301 T302 E303 K304 | L252-Y306 HydrophobicContact CD2-CD1 4.23Å; L252-Y306 HydrophobicContact CD2-CD2 4.42Å; L252-Y306 HydrophobicContact CD2-CG 3.85Å; L262-Y306 HydrophobicContact CB-CE2 4.26Å; I263-Y306 HydrophobicContact CB-CD2 4.43Å; I263-Y306 HydrophobicContact CG2-CD2 4.41Å; I300-Y306 CarbonylContact C-O 3.54Å; I300-Y306 WeakPolarHBondContact CA-O 3.33Å; S301-Y306 PolarHBondContact N-O 3.42Å; T302-Y306 VanDerWaalsContact O-CE1 3.32Å; T302-Y306 WeakPolarHBondContact O-CE1 3.49Å; E303-Y306 VanDerWaalsContact C-CD1 3.46Å; E303-Y306 VanDerWaalsContact O-CA 3.26Å; E303-Y306 WeakPolarHBondContact O-CA 3.37Å; E303-Y306 PolarHBondContact O-N 2.77Å; K304-Y306 VanDerWaalsContact C-N 3.31Å; K304-Y306 VanDerWaalsContact CA-N 3.33Å; K304-Y306 HydrophobicContact CD-CE2 4.48Å; K304-Y306 HydrophobicContact CG-CD2 4.12Å; K304-Y306 HydrophobicContact CG-CE1 4.28Å; K304-Y306 HydrophobicContact CG-CE2 3.53Å | ||
| 307 | L | 94.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.1 | 174.9 | -67.4 | 98.2 | 0 | 0 | 0 | 109.6 | L238 I250 L252 I263 L285 Y298 I300 P305 | L238-L307 HydrophobicContact CD1-CD2 4.3Å; I250-L307 HydrophobicContact CD1-CD2 3.43Å; I250-L307 VanDerWaalsContact CD1-CD2 3.43Å; L252-L307 HydrophobicContact CB-CD1 4.46Å; L252-L307 HydrophobicContact CD2-CD1 4.44Å; I263-L307 HydrophobicContact CG2-CD1 3.41Å; I263-L307 VanDerWaalsContact CG2-CD1 3.41Å; L285-L307 HydrophobicContact CD2-CD2 4.29Å; Y298-L307 HydrophobicContact CD1-CB 4.41Å; Y298-L307 HydrophobicContact CD1-CD2 4.46Å; I300-L307 HydrophobicContact CD1-CD2 3.79Å; I300-L307 HydrophobicContact CD1-CG 3.73Å; P305-L307 PolarHBondContact O-N 3.14Å |
| 308 | S | 95 | Very high | 94.5 | Very high | 47 Ų | 47 | 62.8 Ų | 62.8 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 106.3 | 173.7 | -63.1 | 0 | 0 | 0 | 0 | 108.9 | Y298 E299 L310 | Y298-S308 CarbonylContact C-O 3.36Å; Y298-S308 VanDerWaalsContact CA-O 3.23Å; Y298-S308 WeakPolarHBondContact CA-O 3.41Å; E299-S308 PolarHBondContact N-O 2.77Å; E299-S308 PolarHBondContact O-N 2.9Å; S308-L310 PolarHBondContact O-N 3.38Å |
| 309 | Y | 95.4 | Very high | 94.4 | Very high | 116 Ų | 116 | 62.2 Ų | 62.2 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 130.4 | 174.4 | 177.7 | -101.3 | 0 | 0 | 0 | 110.5 | R296 Y298 E312 | R296-Y309 HydrophobicContact CB-CE2 4.4Å; Y298-Y309 HydrophobicContact CD1-CD2 4.18Å; Y298-Y309 AromaticContact CE1-CD2 3.69Å; Y298-Y309 HydrophobicContact CE1-CD2 3.69Å; Y298-Y309 HydrophobicContact CE1-CG 4.25Å; Y298-Y309 HydrophobicContact CE2-CD2 4.26Å; Y298-Y309 AromaticContact CZ-CD2 3.72Å; Y309-E312 PolarHBondContact OH-N 2.9Å |
| 310 | L | 95.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -71.1 | 179.6 | -58.2 | 174.1 | 0 | 0 | 0 | 110.2 | F17 R18 M284 Y297 E299 S308 | F17-L310 HydrophobicContact CB-CD1 4.03Å; R18-L310 PolarHBondContact NH1-O 3.48Å; M284-L310 HydrophobicContact CE-CD1 3.75Å; Y297-L310 HydrophobicContact CD2-CB 3.93Å; Y297-L310 HydrophobicContact CD2-CD1 4.31Å; Y297-L310 HydrophobicContact CE2-CB 4.33Å; Y297-L310 WeakPolarHBondContact O-CB 3.46Å; Y297-L310 PolarHBondContact O-N 3.17Å; E299-L310 HydrophobicContact CB-CD1 4.16Å; E299-L310 HydrophobicContact CB-CD2 4.19Å; E299-L310 HydrophobicContact CB-CG 4.36Å; S308-L310 PolarHBondContact O-N 3.38Å |
| 311 | M | 95.1 | Very high | 94.3 | Very high | 68 Ų | 68 | 61.3 Ų | 61.3 | 34% | 0.335 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | -177.8 | -177.6 | -170.5 | 159.5 | 59.4 | 0 | 0 | 109.3 | V20 Y297 | V20-M311 WeakPolarHBondContact O-CE 3.14Å; Y297-M311 HydrophobicContact CE2-CB 3.59Å; Y297-M311 PolarHBondContact N-O 3.11Å; Y297-M311 PolarHBondContact O-N 2.98Å; Y297-M311 WeakPolarHBondContact OH-CB 3.37Å; Y297-M311 WeakPolarHBondContact OH-CE 3.49Å |
| 312 | E | 96.7 | Very high | 94.5 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.8 | 171.5 | 66.7 | -176.6 | 162.4 | 0 | 0 | 110.7 | N294 I295 R296 Y309 R314 | N294-E312 PolarHBondContact ND2-OE2 2.73Å; I295-E312 CarbonylContact O-C 3.57Å; I295-E312 WeakPolarHBondContact O-CA 3.34Å; I295-E312 WeakPolarHBondContact O-CB 3.45Å; R296-E312 HydrophobicContact CB-CB 4.38Å; R296-E312 HydrophobicContact CG-CB 3.93Å; R296-E312 IonicContact NE-OE2 3.51Å; Y309-E312 PolarHBondContact OH-N 2.9Å; E312-R314 HydrophobicContact CG-CG 4.01Å; E312-R314 IonicContact OE1-CZ 2.77Å; E312-R314 IonicContact OE1-NE 2.84Å; E312-R314 PolarHBondContact OE1-NE 2.93Å; E312-R314 IonicContact OE1-NH2 3.68Å; E312-R314 PolarHBondContact OE1-NH2 3Å |
| 313 | F | 98.1 | Very high | 95 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 138.5 | 164.3 | 166.9 | -97.9 | 0 | 0 | 0 | 108 | V24 N294 I295 Y297 I353 | V24-F313 HydrophobicContact CG2-CE2 3.55Å; V24-F313 HydrophobicContact CG2-CZ 3.44Å; V24-F313 VanDerWaalsContact CG2-CZ 3.44Å; N294-F313 CarbonylContact C-O 3.47Å; N294-F313 WeakPolarHBondContact CA-O 3.25Å; N294-F313 WeakPolarHBondContact CB-O 3.34Å; I295-F313 HydrophobicContact CB-CB 4.38Å; I295-F313 HydrophobicContact CD1-CD1 4.25Å; I295-F313 HydrophobicContact CG1-CD1 4.26Å; I295-F313 PolarHBondContact N-O 3.43Å; I295-F313 PolarHBondContact O-N 3.05Å; Y297-F313 HydrophobicContact CE1-CB 4.31Å; F313-I353 HydrophobicContact CD1-CD1 4.23Å; F313-I353 HydrophobicContact CD2-CG2 4.34Å; F313-I353 HydrophobicContact CE1-CD1 3.6Å; F313-I353 HydrophobicContact CE1-CG1 4.43Å; F313-I353 HydrophobicContact CE1-CG2 4.43Å; F313-I353 HydrophobicContact CE2-CG2 4.26Å; F313-I353 HydrophobicContact CG-CG2 4.46Å; F313-I353 HydrophobicContact CZ-CD1 4.01Å; F313-I353 HydrophobicContact CZ-CG1 4.4Å; F313-I353 HydrophobicContact CZ-CG2 4.3Å |
| 314 | R | 97.2 | Very high | 95.4 | Very high | 186 Ų | 186 | 51 Ų | 51 | 70% | 0.702 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.9 | 178.9 | -61.5 | -175.5 | 178.9 | -172.9 | 0.8 | 110.3 | N294 E312 | N294-R314 HydrophobicContact CB-CG 4.32Å; E312-R314 HydrophobicContact CG-CG 4.01Å; E312-R314 IonicContact OE1-CZ 2.77Å; E312-R314 IonicContact OE1-NE 2.84Å; E312-R314 PolarHBondContact OE1-NE 2.93Å; E312-R314 IonicContact OE1-NH2 3.68Å; E312-R314 PolarHBondContact OE1-NH2 3Å |
| 315 | S | 95.2 | Very high | 95.8 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | trans | -140 | 145.4 | 171.7 | 160.5 | 0 | 0 | 0 | 0 | 109 | G293 A317 K342 | G293-S315 CarbonylContact C-O 3.38Å; G293-S315 WeakPolarHBondContact CA-O 3.19Å; G293-S315 WeakPolarHBondContact O-CB 3.45Å; G293-S315 PolarHBondContact O-N 2.95Å; S315-A317 PolarHBondContact O-N 2.86Å; S315-A317 PolarHBondContact OG-N 2.77Å; S315-K342 VanDerWaalsContact CB-NZ 3.29Å; S315-K342 PolarHBondContact OG-NZ 2.84Å; S315-K342 VanDerWaalsContact OG-NZ 3.08Å | ||
| 316 | P | 94.3 | Very high | 96.1 | Very high | 135 Ų | 135 | 41.4 Ų | 41.4 | 88% | 0.877 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -73 | -15.2 | 178.7 | 30.4 | -35.8 | 0 | 0 | 0 | 112.8 | ||
| 317 | A | 95.1 | Very high | 96.2 | Very high | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -87.7 | 126.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | G293 S315 K342 V344 | G293-A317 WeakPolarHBondContact CA-O 3.38Å; S315-A317 PolarHBondContact O-N 2.86Å; S315-A317 PolarHBondContact OG-N 2.77Å; A317-K342 WeakPolarHBondContact O-CE 3.23Å; A317-K342 PolarHBondContact O-NZ 3.46Å; A317-V344 HydrophobicContact CB-CG1 3.79Å; A317-V344 HydrophobicContact CB-CG2 4.1Å |
| 318 | P | 95.8 | Very high | 96.2 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 34% | 0.338 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -72.1 | 138.8 | 177.7 | 29.9 | -34.9 | 0 | 0 | 0 | 111.3 | G291 D292 L346 | G291-P318 VanDerWaalsContact O-CB 3.24Å; G291-P318 WeakPolarHBondContact O-CB 3.46Å; D292-P318 CarbonylContact O-C 3.55Å; D292-P318 WeakPolarHBondContact O-CA 3.3Å; P318-L346 HydrophobicContact CG-CD1 4.25Å |
| 319 | Q | 95.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -89.4 | 136.6 | 175 | 64.6 | -147.7 | 17.4 | 0 | 0 | 112.5 | A288 G289 G291 D292 K342 L343 | A288-Q319 VanDerWaalsContact C-NE2 3.33Å; G289-Q319 WeakPolarHBondContact O-CG 3.27Å; G289-Q319 PolarHBondContact O-NE2 2.86Å; G291-Q319 PolarHBondContact N-O 3.37Å; D292-Q319 VanDerWaalsContact O-CG 3.29Å; D292-Q319 WeakPolarHBondContact O-CG 3.47Å; D292-Q319 PolarHBondContact O-N 2.81Å; Q319-K342 HydrophobicContact CB-CD 4.29Å; Q319-K342 HydrophobicContact CB-CG 3.8Å; Q319-L343 WeakPolarHBondContact CA-O 3.44Å |
| 320 | K | 95.2 | Very high | 96.3 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -83.5 | -36.4 | 169.7 | 179.9 | 68.6 | 176.2 | -167.8 | 0 | 112.1 | K38 N39 F45 L343 T345 | K38-K320 PolarHBondContact O-NZ 2.95Å; N39-K320 WeakPolarHBondContact O-CE 3.31Å; N39-K320 PolarHBondContact O-NZ 2.9Å; F45-K320 HydrophobicContact CD2-CG 4.33Å; K320-L343 HydrophobicContact CB-CB 4.16Å; K320-L343 PolarHBondContact N-O 2.83Å; K320-T345 VanDerWaalsContact CB-OG1 3.23Å; K320-T345 WeakPolarHBondContact CB-OG1 3.46Å |
| 321 | G | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -172.9 | 172.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | H44 L343 | H44-G321 WeakPolarHBondContact O-CA 3.15Å; G321-L343 WeakPolarHBondContact O-CB 3.4Å; G321-L343 PolarHBondContact O-N 3.1Å | ||
| 322 | L | 97.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 125.4 | -173.4 | -73.1 | 149.1 | 0 | 0 | 0 | 108.6 | H44 F277 A288 I295 F340 Y341 K342 | H44-L322 WeakPolarHBondContact CB-O 3.43Å; H44-L322 PolarHBondContact ND1-O 2.88Å; F277-L322 HydrophobicContact CE2-CB 4.35Å; F277-L322 HydrophobicContact CE2-CD1 3.81Å; F277-L322 HydrophobicContact CZ-CB 3.82Å; F277-L322 HydrophobicContact CZ-CD1 4.1Å; A288-L322 HydrophobicContact CB-CD1 3.26Å; I295-L322 HydrophobicContact CD1-CD2 4.19Å; L322-F340 HydrophobicContact CB-CD1 4.18Å; L322-F340 HydrophobicContact CD1-CD1 4.44Å; L322-F340 HydrophobicContact CD2-CB 3.83Å; L322-F340 HydrophobicContact CD2-CD1 3.86Å; L322-F340 HydrophobicContact CD2-CG 4.07Å; L322-F340 HydrophobicContact CG-CD1 4.39Å; L322-Y341 WeakPolarHBondContact CA-O 3.43Å; L322-K342 HydrophobicContact CD2-CB 3.83Å; L322-K342 HydrophobicContact CD2-CG 4.2Å |
| 323 | G | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 155.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | C46 F340 Y341 | C46-G323 VanDerWaalsContact SG-CA 3.54Å; G323-F340 CarbonylContact O-C 3.5Å; G323-F340 WeakPolarHBondContact O-CA 3.26Å; G323-Y341 PolarHBondContact N-O 2.66Å; G323-Y341 PolarHBondContact O-N 2.58Å |
| 324 | V | 98.3 | Very high | 96 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 26% | 0.261 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.2 | 177.5 | 174 | 0 | 0 | 0 | 0 | 109 | F277 F338 F340 | F277-V324 HydrophobicContact CD1-CG2 3.49Å; F277-V324 VanDerWaalsContact CD1-CG2 3.49Å; F277-V324 HydrophobicContact CE1-CG2 3.67Å; F277-V324 HydrophobicContact CG-CG2 4.28Å; V324-F338 HydrophobicContact CB-CE1 4.32Å; V324-F338 HydrophobicContact CB-CZ 4.32Å; V324-F338 HydrophobicContact CG1-CD1 4.44Å; V324-F338 HydrophobicContact CG1-CE1 3.54Å; V324-F338 HydrophobicContact CG1-CE2 4.03Å; V324-F338 HydrophobicContact CG1-CZ 3.31Å; V324-F338 HydrophobicContact CG2-CE1 3.84Å; V324-F338 HydrophobicContact CG2-CZ 4.01Å; V324-F340 HydrophobicContact CG2-CD1 4.01Å; V324-F340 HydrophobicContact CG2-CE1 4.07Å |
| 325 | M | 98.4 | Very high | 96 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | trans | -73.7 | 129.9 | 173.5 | -175.4 | 53.5 | 79.2 | 0 | 0 | 110.5 | V48 N49 L70 G329 L330 R339 Y341 | V48-M325 HydrophobicContact CG1-CE 3.66Å; V48-M325 HydrophobicContact CG1-SD 4.27Å; N49-M325 VanDerWaalsContact O-SD 3.42Å; L70-M325 HydrophobicContact CD1-CE 3.52Å; L70-M325 HydrophobicContact CD2-CE 4.43Å; M325-G329 WeakPolarHBondContact CG-O 3.27Å; M325-L330 HydrophobicContact CB-CD2 3.99Å; M325-L330 HydrophobicContact CG-CD2 3.88Å; M325-R339 HydrophobicContact CB-CB 3.8Å; M325-R339 PolarHBondContact N-O 3.48Å; M325-Y341 HydrophobicContact CB-CE2 4.34Å; M325-Y341 HydrophobicContact CE-CE2 3.84Å; M325-Y341 VanDerWaalsContact CE-OH 3.27Å; M325-Y341 WeakPolarHBondContact CE-OH 3.48Å | ||
| 326 | P | 97.2 | Very high | 96.1 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | trans | -58.6 | 154.7 | 168.1 | -25.2 | 35.4 | 0 | 0 | 0 | 112.2 | V48 H328 G329 | V48-P326 WeakPolarHBondContact O-CD 3.48Å; P326-H328 VanDerWaalsContact C-N 3.27Å; P326-H328 VanDerWaalsContact CB-CE1 3.49Å; P326-H328 WeakPolarHBondContact CB-CE1 3.24Å; P326-H328 PolarHBondContact O-N 3.43Å; P326-H328 VanDerWaalsContact O-N 3.17Å; P326-G329 PolarHBondContact O-N 3.06Å | ||
| 327 | K | 97.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 24.3 Ų | 24.3 | 11% | 0.113 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -54 | -40.3 | -174.6 | -75.6 | -74.9 | -175.8 | 177.6 | 0 | 114.5 | D279 D281 G329 L330 V337 T372 L397 | D279-K327 VanDerWaalsContact CG-CE 3.46Å; D279-K327 WeakPolarHBondContact OD1-CE 3.39Å; D279-K327 IonicContact OD1-NZ 3.21Å; D279-K327 PolarHBondContact OD1-NZ 3.13Å; D279-K327 IonicContact OD2-NZ 3.64Å; D279-K327 PolarHBondContact OD2-NZ 3.47Å; D281-K327 VanDerWaalsContact OD2-CD 3.23Å; D281-K327 WeakPolarHBondContact OD2-CD 3.25Å; D281-K327 WeakPolarHBondContact OD2-CE 3.44Å; D281-K327 WeakPolarHBondContact OD2-CG 3.44Å; D281-K327 IonicContact OD2-NZ 3.5Å; K327-G329 PolarHBondContact O-N 2.94Å; K327-L330 HydrophobicContact CD-CD1 3.87Å; K327-L330 WeakPolarHBondContact O-CB 3.12Å; K327-L330 WeakPolarHBondContact O-CG 3.15Å; K327-L330 PolarHBondContact O-N 3.34Å; K327-V337 PolarHBondContact NZ-O 2.8Å; K327-T372 HydrophobicContact CB-CG2 3.94Å; K327-T372 WeakPolarHBondContact CB-OG1 3.3Å; K327-T372 WeakPolarHBondContact CG-OG1 3.33Å; K327-L397 HydrophobicContact CB-CD1 4.38Å |
| 328 | H | 94.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 24.4 Ų | 24.4 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -71.2 | -14.8 | 178.5 | 56.6 | -98 | 0 | 0 | 0 | 113.8 | P326 M395 L397 Y401 | P326-H328 VanDerWaalsContact C-N 3.27Å; P326-H328 VanDerWaalsContact CB-CE1 3.49Å; P326-H328 WeakPolarHBondContact CB-CE1 3.24Å; P326-H328 PolarHBondContact O-N 3.43Å; P326-H328 VanDerWaalsContact O-N 3.17Å; H328-M395 HydrophobicContact CB-CE 4.49Å; H328-M395 HydrophobicContact CB-SD 4.26Å; H328-L397 HydrophobicContact CB-CD2 4.06Å; H328-Y401 HydrophobicContact CB-CD2 3.74Å; H328-Y401 HydrophobicContact CB-CE2 4.37Å; H328-Y401 HydrophobicContact CB-CG 4.39Å; H328-Y401 AromaticContact CD2-CD2 3.6Å; H328-Y401 AromaticContact CD2-CE2 3.52Å; H328-Y401 AromaticContact CG-CD2 3.88Å; H328-Y401 VanDerWaalsContact O-CB 3.28Å; H328-Y401 WeakPolarHBondContact O-CB 3.35Å |
| 329 | G | 95.5 | Very high | 96.5 | Very high | 16 Ų | 16 | 24 Ų | 24 | 17% | 0.165 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -91.4 | 4.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | M325 P326 K327 R339 | M325-G329 WeakPolarHBondContact CG-O 3.27Å; P326-G329 PolarHBondContact O-N 3.06Å; K327-G329 PolarHBondContact O-N 2.94Å; G329-R339 PolarHBondContact O-NH1 2.86Å |
| 330 | L | 96.8 | Very high | 96.7 | Very high | 17 Ų | 17 | 23.9 Ų | 23.9 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -83 | 153 | 179.8 | -59.4 | 178.6 | 0 | 0 | 0 | 112.4 | M325 K327 V332 E336 V337 R339 | M325-L330 HydrophobicContact CB-CD2 3.99Å; M325-L330 HydrophobicContact CG-CD2 3.88Å; K327-L330 HydrophobicContact CD-CD1 3.87Å; K327-L330 WeakPolarHBondContact O-CB 3.12Å; K327-L330 WeakPolarHBondContact O-CG 3.15Å; K327-L330 PolarHBondContact O-N 3.34Å; L330-V332 PolarHBondContact O-N 2.93Å; L330-E336 VanDerWaalsContact CA-OE2 3.3Å; L330-E336 WeakPolarHBondContact CA-OE2 3.18Å; L330-E336 HydrophobicContact CD2-CG 4.26Å; L330-V337 VanDerWaalsContact CD1-C 3.45Å; L330-V337 VanDerWaalsContact CD1-O 3.3Å; L330-V337 WeakPolarHBondContact CD1-O 3.31Å; L330-R339 HydrophobicContact CD2-CB 3.68Å |
| 331 | D | 95.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 22.8 Ų | 22.8 | 37% | 0.369 | 14% | 0.137 | S | C | . | . | trans | -84.4 | 88.8 | 171.4 | -175.2 | -3.7 | 0 | 0 | 0 | 110.5 | S333 A334 E336 | D331-S333 PolarHBondContact O-N 2.92Å; D331-S333 WeakPolarHBondContact OD1-CB 3.42Å; D331-S333 PolarHBondContact OD1-N 2.96Å; D331-S333 PolarHBondContact OD1-OG 3.17Å; D331-A334 HydrophobicContact CB-CB 4.19Å; D331-A334 PolarHBondContact O-N 2.78Å; D331-A334 PolarHBondContact OD1-N 2.88Å; D331-A334 WeakPolarHBondContact OD2-CB 3.33Å; D331-E336 HydrophobicContact CB-CB 4.47Å; D331-E336 PolarHBondContact N-OE2 2.83Å; D331-E336 VanDerWaalsContact O-CB 3.3Å; D331-E336 WeakPolarHBondContact O-CB 3.45Å; D331-E336 PolarHBondContact O-N 2.51Å | ||
| 332 | V | 95.1 | Very high | 97 | Very high | 30 Ų | 30 | 22.8 Ų | 22.8 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -64.6 | -24.1 | 178.6 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | L330 A334 C335 Y364 Y369 L397 | L330-V332 PolarHBondContact O-N 2.93Å; V332-A334 VanDerWaalsContact C-N 3.31Å; V332-C335 PolarHBondContact O-N 3.3Å; V332-Y364 HydrophobicContact CB-CE2 4.33Å; V332-Y364 HydrophobicContact CG2-CD2 4.48Å; V332-Y364 HydrophobicContact CG2-CE2 4.48Å; V332-Y369 HydrophobicContact CB-CE1 4.5Å; V332-Y369 HydrophobicContact CB-CE2 4.02Å; V332-Y369 HydrophobicContact CG1-CD1 4.25Å; V332-Y369 HydrophobicContact CG1-CE1 3.95Å; V332-Y369 HydrophobicContact CG1-CE2 4.28Å; V332-L397 HydrophobicContact CG1-CB 3.89Å; V332-L397 HydrophobicContact CG1-CD1 4.09Å |
| 333 | S | 93.7 | Very high | 97 | Very high | 90 Ų | 90 | 22.7 Ų | 22.7 | 63% | 0.629 | 14% | 0.136 | S | C | * | . | G | 310 helix | trans | -71.1 | -32.1 | 178 | 77.1 | 0 | 0 | 0 | 0 | 111.5 | D331 C335 | D331-S333 PolarHBondContact O-N 2.92Å; D331-S333 WeakPolarHBondContact OD1-CB 3.42Å; D331-S333 PolarHBondContact OD1-N 2.96Å; D331-S333 PolarHBondContact OD1-OG 3.17Å; S333-C335 VanDerWaalsContact C-N 3.26Å; S333-C335 PolarHBondContact O-N 3.39Å |
| 334 | A | 94.8 | Very high | 97 | Very high | 39 Ų | 39 | 22.8 Ų | 22.8 | 32% | 0.322 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -84.1 | 6.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D331 V332 E336 I356 | D331-A334 HydrophobicContact CB-CB 4.19Å; D331-A334 PolarHBondContact O-N 2.78Å; D331-A334 PolarHBondContact OD1-N 2.88Å; D331-A334 WeakPolarHBondContact OD2-CB 3.33Å; V332-A334 VanDerWaalsContact C-N 3.31Å; A334-E336 PolarHBondContact O-N 2.88Å; A334-I356 WeakPolarHBondContact O-CG2 3.37Å |
| 335 | C | 96.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 32.1 | -171.7 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | V332 S333 I356 V357 I368 Y369 | V332-C335 PolarHBondContact O-N 3.3Å; S333-C335 VanDerWaalsContact C-N 3.26Å; S333-C335 PolarHBondContact O-N 3.39Å; C335-I356 WeakPolarHBondContact O-CA 3.42Å; C335-V357 WeakPolarHBondContact CB-O 3.29Å; C335-V357 PolarHBondContact O-N 3.09Å; C335-I368 HydrophobicContact CB-CD1 4.2Å; C335-Y369 WeakPolarHBondContact CA-OH 3.13Å |
| 336 | E | 97.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123.6 | 173.6 | -173.7 | -172.6 | -125.4 | 0 | 0 | 109.9 | L330 D331 A334 R339 S354 M355 Y369 | L330-E336 VanDerWaalsContact CA-OE2 3.3Å; L330-E336 WeakPolarHBondContact CA-OE2 3.18Å; L330-E336 HydrophobicContact CD2-CG 4.26Å; D331-E336 HydrophobicContact CB-CB 4.47Å; D331-E336 PolarHBondContact N-OE2 2.83Å; D331-E336 VanDerWaalsContact O-CB 3.3Å; D331-E336 WeakPolarHBondContact O-CB 3.45Å; D331-E336 PolarHBondContact O-N 2.51Å; A334-E336 PolarHBondContact O-N 2.88Å; E336-R339 VanDerWaalsContact CD-NE 3.34Å; E336-R339 WeakPolarHBondContact OE1-CB 3.36Å; E336-R339 WeakPolarHBondContact OE1-CG 3.21Å; E336-R339 IonicContact OE1-CZ 3.25Å; E336-R339 IonicContact OE1-NE 2.71Å; E336-R339 PolarHBondContact OE1-NE 3.2Å; E336-R339 IonicContact OE1-NH2 3.05Å; E336-R339 PolarHBondContact OE1-NH2 3.24Å; E336-R339 IonicContact OE2-CZ 3.69Å; E336-R339 VanDerWaalsContact OE2-CZ 3.24Å; E336-R339 IonicContact OE2-NE 3.84Å; E336-R339 PolarHBondContact OE2-NE 3.22Å; E336-R339 IonicContact OE2-NH2 2.74Å; E336-R339 PolarHBondContact OE2-NH2 3.46Å; E336-S354 WeakPolarHBondContact OE1-CA 3.41Å; E336-S354 WeakPolarHBondContact OE1-CB 3.34Å; E336-S354 PolarHBondContact OE1-OG 3.48Å; E336-M355 WeakPolarHBondContact CA-O 3.28Å; E336-Y369 PolarHBondContact N-OH 2.84Å; E336-Y369 VanDerWaalsContact N-OH 3.1Å; E336-Y369 WeakPolarHBondContact O-CE1 3.42Å; E336-Y369 PolarHBondContact O-OH 2.83Å |
| 337 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -15.8 | -178.7 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | T282 M284 K327 L330 M355 V357 I368 Y369 | T282-V337 HydrophobicContact CG2-CB 4.29Å; M284-V337 HydrophobicContact SD-CG2 4.5Å; K327-V337 PolarHBondContact NZ-O 2.8Å; L330-V337 VanDerWaalsContact CD1-C 3.45Å; L330-V337 VanDerWaalsContact CD1-O 3.3Å; L330-V337 WeakPolarHBondContact CD1-O 3.31Å; V337-M355 HydrophobicContact CG2-CB 4.49Å; V337-M355 PolarHBondContact N-O 2.94Å; V337-V357 HydrophobicContact CB-CG2 4.46Å; V337-V357 HydrophobicContact CG1-CG2 3.55Å; V337-V357 HydrophobicContact CG2-CG2 4.04Å; V337-I368 HydrophobicContact CG1-CB 4.44Å; V337-I368 HydrophobicContact CG1-CD1 4.1Å; V337-Y369 HydrophobicContact CG1-CE1 4.25Å |
| 338 | F | 98.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 6% | 0.057 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 144.7 | 178.5 | -150.5 | -93.4 | 0 | 0 | 0 | 110.1 | F277 D279 Y286 V324 F340 M355 | F277-F338 HydrophobicContact CB-CE1 4.44Å; F277-F338 HydrophobicContact CB-CZ 4.03Å; D279-F338 HydrophobicContact CB-CD2 3.99Å; D279-F338 HydrophobicContact CB-CE2 3.99Å; Y286-F338 HydrophobicContact CD2-CD1 4.25Å; Y286-F338 HydrophobicContact CD2-CD2 4.34Å; Y286-F338 HydrophobicContact CD2-CE1 4.26Å; Y286-F338 HydrophobicContact CD2-CE2 4.34Å; Y286-F338 HydrophobicContact CD2-CG 4.28Å; Y286-F338 HydrophobicContact CD2-CZ 4.28Å; Y286-F338 HydrophobicContact CE2-CB 4.03Å; Y286-F338 HydrophobicContact CE2-CD1 4.05Å; Y286-F338 AromaticContact CE2-CD2 3.71Å; Y286-F338 HydrophobicContact CE2-CD2 3.71Å; Y286-F338 HydrophobicContact CE2-CE1 4.43Å; Y286-F338 HydrophobicContact CE2-CE2 4.12Å; Y286-F338 AromaticContact CE2-CG 3.66Å; Y286-F338 HydrophobicContact CE2-CG 3.66Å; Y286-F338 HydrophobicContact CE2-CZ 4.44Å; Y286-F338 AromaticContact CZ-CG 3.94Å; Y286-F338 WeakPolarHBondContact OH-CB 3.42Å; V324-F338 HydrophobicContact CB-CE1 4.32Å; V324-F338 HydrophobicContact CB-CZ 4.32Å; V324-F338 HydrophobicContact CG1-CD1 4.44Å; V324-F338 HydrophobicContact CG1-CE1 3.54Å; V324-F338 HydrophobicContact CG1-CE2 4.03Å; V324-F338 HydrophobicContact CG1-CZ 3.31Å; V324-F338 HydrophobicContact CG2-CE1 3.84Å; V324-F338 HydrophobicContact CG2-CZ 4.01Å; F338-F340 HydrophobicContact CD1-CD1 4.45Å; F338-F340 HydrophobicContact CD1-CD2 4Å; F338-F340 HydrophobicContact CD1-CE1 4.05Å; F338-F340 AromaticContact CD1-CE2 3.52Å; F338-F340 HydrophobicContact CD1-CE2 3.52Å; F338-F340 HydrophobicContact CD1-CG 4.44Å; F338-F340 AromaticContact CD1-CZ 3.53Å; F338-F340 HydrophobicContact CD1-CZ 3.53Å; F338-F340 HydrophobicContact CE1-CD1 4.01Å; F338-F340 HydrophobicContact CE1-CD2 4.35Å; F338-F340 AromaticContact CE1-CE1 3.44Å; F338-F340 HydrophobicContact CE1-CE1 3.44Å; F338-F340 VanDerWaalsContact CE1-CE1 3.44Å; F338-F340 AromaticContact CE1-CE2 3.8Å; F338-F340 HydrophobicContact CE1-CE2 3.8Å; F338-F340 HydrophobicContact CE1-CG 4.44Å; F338-F340 AromaticContact CE1-CZ 3.29Å; F338-F340 HydrophobicContact CE1-CZ 3.29Å; F338-F340 HydrophobicContact CZ-CE1 4.46Å; F338-F340 HydrophobicContact CZ-CZ 4.37Å; F338-M355 HydrophobicContact CB-CB 3.88Å; F338-M355 HydrophobicContact CB-CG 3.96Å; F338-M355 WeakPolarHBondContact O-CB 3.46Å; F338-M355 PolarHBondContact O-N 3.41Å |
| 339 | R | 98.8 | Very high | 96.3 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 17% | 0.17 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 124.6 | 175.6 | -170.9 | -170.8 | -64.7 | 165.3 | -0.1 | 111 | M325 G329 L330 E336 Y341 I353 | M325-R339 HydrophobicContact CB-CB 3.8Å; M325-R339 PolarHBondContact N-O 3.48Å; G329-R339 PolarHBondContact O-NH1 2.86Å; L330-R339 HydrophobicContact CD2-CB 3.68Å; E336-R339 VanDerWaalsContact CD-NE 3.34Å; E336-R339 WeakPolarHBondContact OE1-CB 3.36Å; E336-R339 WeakPolarHBondContact OE1-CG 3.21Å; E336-R339 IonicContact OE1-CZ 3.25Å; E336-R339 IonicContact OE1-NE 2.71Å; E336-R339 PolarHBondContact OE1-NE 3.2Å; E336-R339 IonicContact OE1-NH2 3.05Å; E336-R339 PolarHBondContact OE1-NH2 3.24Å; E336-R339 IonicContact OE2-CZ 3.69Å; E336-R339 VanDerWaalsContact OE2-CZ 3.24Å; E336-R339 IonicContact OE2-NE 3.84Å; E336-R339 PolarHBondContact OE2-NE 3.22Å; E336-R339 IonicContact OE2-NH2 2.74Å; E336-R339 PolarHBondContact OE2-NH2 3.46Å; R339-Y341 HydrophobicContact CG-CE2 4.1Å; R339-I353 WeakPolarHBondContact CA-O 3.44Å |
| 340 | F | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 153.2 | 173 | -66.3 | -79.9 | 0 | 0 | 0 | 111.5 | F277 Y286 I295 L322 G323 V324 F338 P352 I353 M355 | F277-F340 HydrophobicContact CB-CE1 4.37Å; F277-F340 HydrophobicContact CD1-CE1 4.45Å; F277-F340 AromaticContact CD2-CE1 3.77Å; F277-F340 HydrophobicContact CD2-CE1 3.77Å; F277-F340 HydrophobicContact CD2-CZ 4.39Å; F277-F340 HydrophobicContact CE2-CE1 4.1Å; F277-F340 AromaticContact CG-CE1 3.95Å; F277-F340 HydrophobicContact CG-CE1 3.95Å; Y286-F340 AromaticContact CD1-CE2 3.87Å; Y286-F340 HydrophobicContact CD1-CE2 3.87Å; Y286-F340 AromaticContact CD1-CZ 3.98Å; Y286-F340 HydrophobicContact CD1-CZ 3.98Å; Y286-F340 HydrophobicContact CD2-CZ 4.22Å; Y286-F340 HydrophobicContact CE1-CE2 4.39Å; Y286-F340 HydrophobicContact CG-CE2 4.07Å; Y286-F340 AromaticContact CG-CZ 3.68Å; Y286-F340 HydrophobicContact CG-CZ 3.68Å; I295-F340 HydrophobicContact CD1-CD2 3.94Å; I295-F340 HydrophobicContact CD1-CE2 4.18Å; I295-F340 HydrophobicContact CD1-CG 4.2Å; I295-F340 HydrophobicContact CG2-CE2 4.2Å; I295-F340 HydrophobicContact CG2-CZ 4.23Å; L322-F340 HydrophobicContact CB-CD1 4.18Å; L322-F340 HydrophobicContact CD1-CD1 4.44Å; L322-F340 HydrophobicContact CD2-CB 3.83Å; L322-F340 HydrophobicContact CD2-CD1 3.86Å; L322-F340 HydrophobicContact CD2-CG 4.07Å; L322-F340 HydrophobicContact CG-CD1 4.39Å; G323-F340 CarbonylContact O-C 3.5Å; G323-F340 WeakPolarHBondContact O-CA 3.26Å; V324-F340 HydrophobicContact CG2-CD1 4.01Å; V324-F340 HydrophobicContact CG2-CE1 4.07Å; F338-F340 HydrophobicContact CD1-CD1 4.45Å; F338-F340 HydrophobicContact CD1-CD2 4Å; F338-F340 HydrophobicContact CD1-CE1 4.05Å; F338-F340 AromaticContact CD1-CE2 3.52Å; F338-F340 HydrophobicContact CD1-CE2 3.52Å; F338-F340 HydrophobicContact CD1-CG 4.44Å; F338-F340 AromaticContact CD1-CZ 3.53Å; F338-F340 HydrophobicContact CD1-CZ 3.53Å; F338-F340 HydrophobicContact CE1-CD1 4.01Å; F338-F340 HydrophobicContact CE1-CD2 4.35Å; F338-F340 AromaticContact CE1-CE1 3.44Å; F338-F340 HydrophobicContact CE1-CE1 3.44Å; F338-F340 VanDerWaalsContact CE1-CE1 3.44Å; F338-F340 AromaticContact CE1-CE2 3.8Å; F338-F340 HydrophobicContact CE1-CE2 3.8Å; F338-F340 HydrophobicContact CE1-CG 4.44Å; F338-F340 AromaticContact CE1-CZ 3.29Å; F338-F340 HydrophobicContact CE1-CZ 3.29Å; F338-F340 HydrophobicContact CZ-CE1 4.46Å; F338-F340 HydrophobicContact CZ-CZ 4.37Å; F340-P352 CarbonylContact O-C 3.59Å; F340-P352 VanDerWaalsContact O-CA 3.23Å; F340-P352 WeakPolarHBondContact O-CA 3.46Å; F340-I353 HydrophobicContact CB-CB 4.29Å; F340-I353 PolarHBondContact N-O 2.97Å; F340-I353 PolarHBondContact O-N 2.88Å; F340-M355 HydrophobicContact CD2-CG 4.21Å; F340-M355 HydrophobicContact CD2-SD 4.37Å; F340-M355 HydrophobicContact CE2-CG 3.99Å; F340-M355 HydrophobicContact CE2-SD 4.29Å |
| 341 | Y | 98.7 | Very high | 96.5 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 94.5 | 166 | -74.7 | -107.8 | 0 | 0 | 0 | 108.1 | F31 V48 L53 L70 L322 G323 M325 R339 L343 I350 P352 | F31-Y341 HydrophobicContact CE2-CD1 4.32Å; F31-Y341 AromaticContact CE2-CE1 3.91Å; F31-Y341 HydrophobicContact CE2-CE1 3.91Å; V48-Y341 HydrophobicContact CB-CD2 4.28Å; V48-Y341 HydrophobicContact CB-CE2 4.42Å; V48-Y341 HydrophobicContact CG1-CD2 4.07Å; V48-Y341 HydrophobicContact CG1-CE1 4.46Å; V48-Y341 HydrophobicContact CG1-CE2 3.77Å; V48-Y341 HydrophobicContact CG2-CD1 4.38Å; V48-Y341 HydrophobicContact CG2-CD2 3.69Å; V48-Y341 HydrophobicContact CG2-CE2 4.26Å; V48-Y341 HydrophobicContact CG2-CG 3.78Å; L53-Y341 HydrophobicContact CD1-CD1 3.87Å; L53-Y341 HydrophobicContact CD1-CG 4.22Å; L53-Y341 HydrophobicContact CD2-CD1 4.07Å; L53-Y341 HydrophobicContact CD2-CE1 4.46Å; L53-Y341 HydrophobicContact CG-CD1 4.47Å; L70-Y341 HydrophobicContact CD2-CE1 3.94Å; L70-Y341 WeakPolarHBondContact CD2-OH 3.21Å; L322-Y341 WeakPolarHBondContact CA-O 3.43Å; G323-Y341 PolarHBondContact N-O 2.66Å; G323-Y341 PolarHBondContact O-N 2.58Å; M325-Y341 HydrophobicContact CB-CE2 4.34Å; M325-Y341 HydrophobicContact CE-CE2 3.84Å; M325-Y341 VanDerWaalsContact CE-OH 3.27Å; M325-Y341 WeakPolarHBondContact CE-OH 3.48Å; R339-Y341 HydrophobicContact CG-CE2 4.1Å; Y341-L343 WeakPolarHBondContact O-CD1 3.33Å; Y341-I350 HydrophobicContact CD1-CG2 4.1Å; Y341-P352 HydrophobicContact CD1-CG 4.12Å; Y341-P352 HydrophobicContact CE1-CB 4.38Å; Y341-P352 HydrophobicContact CE1-CG 3.95Å |
| 342 | K | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124 | -172.5 | 179.9 | 178.6 | 173.6 | 176.2 | 0 | 111.4 | G293 S315 A317 Q319 L322 V344 I350 E351 I353 | G293-K342 PolarHBondContact O-NZ 3.35Å; S315-K342 VanDerWaalsContact CB-NZ 3.29Å; S315-K342 PolarHBondContact OG-NZ 2.84Å; S315-K342 VanDerWaalsContact OG-NZ 3.08Å; A317-K342 WeakPolarHBondContact O-CE 3.23Å; A317-K342 PolarHBondContact O-NZ 3.46Å; Q319-K342 HydrophobicContact CB-CD 4.29Å; Q319-K342 HydrophobicContact CB-CG 3.8Å; L322-K342 HydrophobicContact CD2-CB 3.83Å; L322-K342 HydrophobicContact CD2-CG 4.2Å; K342-V344 HydrophobicContact CD-CG2 4.33Å; K342-V344 HydrophobicContact CG-CG2 4.12Å; K342-I350 WeakPolarHBondContact O-CA 3.33Å; K342-E351 HydrophobicContact CB-CB 4.41Å; K342-E351 WeakPolarHBondContact CB-O 3.09Å; K342-E351 PolarHBondContact N-O 2.87Å; K342-E351 PolarHBondContact O-N 2.81Å; K342-I353 HydrophobicContact CB-CD1 3.85Å; K342-I353 HydrophobicContact CD-CD1 3.73Å; K342-I353 HydrophobicContact CG-CD1 4.41Å |
| 343 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 110.5 | 177.1 | -84.7 | 55 | 0 | 0 | 0 | 110.4 | I36 F45 C46 I55 Q319 K320 G321 Y341 I350 | I36-L343 HydrophobicContact CD1-CB 4.17Å; I36-L343 HydrophobicContact CD1-CG 4.23Å; I36-L343 HydrophobicContact CG2-CB 4.43Å; I36-L343 HydrophobicContact CG2-CD2 3.95Å; I36-L343 HydrophobicContact CG2-CG 4.3Å; F45-L343 HydrophobicContact CB-CD2 4.06Å; C46-L343 HydrophobicContact CB-CD1 3.42Å; C46-L343 VanDerWaalsContact CB-CD1 3.42Å; C46-L343 HydrophobicContact CB-CD2 3.95Å; C46-L343 HydrophobicContact CB-CG 4.34Å; C46-L343 VanDerWaalsContact SG-CD1 3.54Å; I55-L343 HydrophobicContact CG2-CD2 4.1Å; I55-L343 HydrophobicContact CG2-CG 4.43Å; Q319-L343 WeakPolarHBondContact CA-O 3.44Å; K320-L343 HydrophobicContact CB-CB 4.16Å; K320-L343 PolarHBondContact N-O 2.83Å; G321-L343 WeakPolarHBondContact O-CB 3.4Å; G321-L343 PolarHBondContact O-N 3.1Å; Y341-L343 WeakPolarHBondContact O-CD1 3.33Å; L343-I350 HydrophobicContact CB-CD1 4.38Å; L343-I350 HydrophobicContact CD1-CD1 3.62Å; L343-I350 HydrophobicContact CD1-CG2 4.29Å; L343-I350 HydrophobicContact CG-CD1 3.57Å |
| 344 | V | 96.8 | Very high | 97 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 85.8 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | A317 K342 L346 K347 G348 L349 | A317-V344 HydrophobicContact CB-CG1 3.79Å; A317-V344 HydrophobicContact CB-CG2 4.1Å; K342-V344 HydrophobicContact CD-CG2 4.33Å; K342-V344 HydrophobicContact CG-CG2 4.12Å; V344-L346 VanDerWaalsContact C-N 3.33Å; V344-L346 PolarHBondContact O-N 3.43Å; V344-K347 HydrophobicContact CG1-CB 4.14Å; V344-K347 HydrophobicContact CG1-CD 4.21Å; V344-K347 HydrophobicContact CG1-CG 4.15Å; V344-K347 PolarHBondContact O-N 3.47Å; V344-K347 VanDerWaalsContact O-N 3.11Å; V344-G348 PolarHBondContact O-N 2.87Å; V344-L349 HydrophobicContact CB-CB 4.24Å; V344-L349 PolarHBondContact N-O 3.23Å; V344-L349 PolarHBondContact O-N 2.72Å |
| 345 | T | 93.3 | Very high | 97.2 | Very high | 44 Ų | 44 | 23.2 Ų | 23.2 | 27% | 0.27 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -56.5 | -40.6 | -172.7 | -54.2 | 0 | 0 | 0 | 0 | 113.6 | K320 K347 G348 | K320-T345 VanDerWaalsContact CB-OG1 3.23Å; K320-T345 WeakPolarHBondContact CB-OG1 3.46Å; T345-K347 PolarHBondContact O-N 2.81Å; T345-K347 VanDerWaalsContact O-N 3.11Å; T345-G348 PolarHBondContact O-N 3.3Å; T345-G348 VanDerWaalsContact O-N 3.13Å |
| 346 | L | 91.4 | Very high | 97.3 | Very high | 152 Ų | 152 | 23.5 Ų | 23.5 | 80% | 0.796 | 12% | 0.12 | S | C | * | . | G | 310 helix | trans | -62 | -21.6 | -178.2 | -67.7 | 176.1 | 0 | 0 | 0 | 113.7 | P318 V344 | P318-L346 HydrophobicContact CG-CD1 4.25Å; V344-L346 VanDerWaalsContact C-N 3.33Å; V344-L346 PolarHBondContact O-N 3.43Å |
| 347 | K | 92.6 | Very high | 97.3 | Very high | 133 Ų | 133 | 23.5 Ų | 23.5 | 58% | 0.578 | 12% | 0.12 | S | C | * | . | G | 310 helix | trans | -110.6 | -2.7 | 180 | -64.4 | -176.4 | 179.1 | -178.7 | 0 | 112.9 | V344 T345 L349 | V344-K347 HydrophobicContact CG1-CB 4.14Å; V344-K347 HydrophobicContact CG1-CD 4.21Å; V344-K347 HydrophobicContact CG1-CG 4.15Å; V344-K347 PolarHBondContact O-N 3.47Å; V344-K347 VanDerWaalsContact O-N 3.11Å; T345-K347 PolarHBondContact O-N 2.81Å; T345-K347 VanDerWaalsContact O-N 3.11Å; K347-L349 HydrophobicContact CB-CB 3.83Å; K347-L349 HydrophobicContact CD-CD2 4.46Å; K347-L349 PolarHBondContact O-N 3.25Å |
| 348 | G | 96.1 | Very high | 97.2 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 37.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G33 I34 V344 T345 | G33-G348 PolarHBondContact N-O 3.22Å; G33-G348 VanDerWaalsContact N-O 3.11Å; I34-G348 PolarHBondContact N-O 3.1Å; I34-G348 WeakPolarHBondContact O-CA 3.14Å; V344-G348 PolarHBondContact O-N 2.87Å; T345-G348 PolarHBondContact O-N 3.3Å; T345-G348 VanDerWaalsContact O-N 3.13Å |
| 349 | L | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.3 | -168.7 | 175.9 | 65.4 | 0 | 0 | 0 | 111.1 | C30 F31 D32 V344 K347 E351 | C30-L349 HydrophobicContact CB-CD1 3.56Å; F31-L349 WeakPolarHBondContact O-CA 3.44Å; F31-L349 WeakPolarHBondContact O-CD1 3.25Å; D32-L349 HydrophobicContact CB-CD1 4.41Å; V344-L349 HydrophobicContact CB-CB 4.24Å; V344-L349 PolarHBondContact N-O 3.23Å; V344-L349 PolarHBondContact O-N 2.72Å; K347-L349 HydrophobicContact CB-CB 3.83Å; K347-L349 HydrophobicContact CD-CD2 4.46Å; K347-L349 PolarHBondContact O-N 3.25Å; L349-E351 HydrophobicContact CD2-CB 4.43Å; L349-E351 HydrophobicContact CG-CB 4.48Å |
| 350 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119 | 163.7 | -41.6 | -63.2 | 0 | 0 | 0 | 108.4 | C30 F31 I34 I36 L53 I55 Y341 K342 L343 | C30-I350 WeakPolarHBondContact CB-O 3.47Å; F31-I350 HydrophobicContact CB-CB 4.03Å; F31-I350 HydrophobicContact CB-CG1 4.17Å; F31-I350 HydrophobicContact CD2-CB 4.2Å; F31-I350 PolarHBondContact N-O 3.29Å; F31-I350 PolarHBondContact O-N 3.19Å; I34-I350 HydrophobicContact CG1-CG1 3.99Å; I36-I350 HydrophobicContact CD1-CD1 3.68Å; I36-I350 HydrophobicContact CG1-CD1 4.05Å; L53-I350 HydrophobicContact CD1-CG2 4.46Å; L53-I350 HydrophobicContact CD2-CB 4.3Å; L53-I350 HydrophobicContact CD2-CG1 4.35Å; L53-I350 HydrophobicContact CD2-CG2 3.99Å; I55-I350 HydrophobicContact CG1-CD1 4.06Å; I55-I350 HydrophobicContact CG1-CG1 4.23Å; I55-I350 HydrophobicContact CG2-CD1 4.2Å; Y341-I350 HydrophobicContact CD1-CG2 4.1Å; K342-I350 WeakPolarHBondContact O-CA 3.33Å; L343-I350 HydrophobicContact CB-CD1 4.38Å; L343-I350 HydrophobicContact CD1-CD1 3.62Å; L343-I350 HydrophobicContact CD1-CG2 4.29Å; L343-I350 HydrophobicContact CG-CD1 3.57Å |
| 351 | E | 97.8 | Very high | 95.5 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 108.1 | -174.7 | -178.1 | 175.6 | -96.9 | 0 | 0 | 109.4 | V24 K342 L349 | V24-E351 HydrophobicContact CG1-CG 3.4Å; V24-E351 VanDerWaalsContact CG1-CG 3.4Å; V24-E351 WeakPolarHBondContact CG1-OE1 3.41Å; K342-E351 HydrophobicContact CB-CB 4.41Å; K342-E351 WeakPolarHBondContact CB-O 3.09Å; K342-E351 PolarHBondContact N-O 2.87Å; K342-E351 PolarHBondContact O-N 2.81Å; L349-E351 HydrophobicContact CD2-CB 4.43Å; L349-E351 HydrophobicContact CG-CB 4.48Å |
| 352 | P | 98.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 7% | 0.065 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 136.8 | 171.8 | -20.2 | 31.5 | 0 | 0 | 0 | 111.6 | A25 F31 F340 Y341 | A25-P352 HydrophobicContact CB-CB 3.89Å; A25-P352 HydrophobicContact CB-CG 4.1Å; A25-P352 PolarHBondContact N-O 3.41Å; F31-P352 HydrophobicContact CE2-CG 4.4Å; F340-P352 CarbonylContact O-C 3.59Å; F340-P352 VanDerWaalsContact O-CA 3.23Å; F340-P352 WeakPolarHBondContact O-CA 3.46Å; Y341-P352 HydrophobicContact CD1-CG 4.12Å; Y341-P352 HydrophobicContact CE1-CB 4.38Å; Y341-P352 HydrophobicContact CE1-CG 3.95Å |
| 353 | I | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 111.8 | 177.7 | -53.6 | 165 | 0 | 0 | 0 | 108.5 | K23 I295 F313 R339 F340 K342 M355 | K23-I353 WeakPolarHBondContact O-CA 3.36Å; I295-I353 HydrophobicContact CD1-CD1 4.2Å; F313-I353 HydrophobicContact CD1-CD1 4.23Å; F313-I353 HydrophobicContact CD2-CG2 4.34Å; F313-I353 HydrophobicContact CE1-CD1 3.6Å; F313-I353 HydrophobicContact CE1-CG1 4.43Å; F313-I353 HydrophobicContact CE1-CG2 4.43Å; F313-I353 HydrophobicContact CE2-CG2 4.26Å; F313-I353 HydrophobicContact CG-CG2 4.46Å; F313-I353 HydrophobicContact CZ-CD1 4.01Å; F313-I353 HydrophobicContact CZ-CG1 4.4Å; F313-I353 HydrophobicContact CZ-CG2 4.3Å; R339-I353 WeakPolarHBondContact CA-O 3.44Å; F340-I353 HydrophobicContact CB-CB 4.29Å; F340-I353 PolarHBondContact N-O 2.97Å; F340-I353 PolarHBondContact O-N 2.88Å; K342-I353 HydrophobicContact CB-CD1 3.85Å; K342-I353 HydrophobicContact CD-CD1 3.73Å; K342-I353 HydrophobicContact CG-CD1 4.41Å; I353-M355 HydrophobicContact CG2-SD 4.26Å |
| 354 | S | 98.6 | Very high | 93.9 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 16% | 0.161 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122.7 | 178.3 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | G22 K23 E336 | G22-S354 CarbonylContact C-O 3.58Å; G22-S354 WeakPolarHBondContact CA-O 3.41Å; K23-S354 PolarHBondContact N-O 3Å; K23-S354 PolarHBondContact O-N 2.95Å; E336-S354 WeakPolarHBondContact OE1-CA 3.41Å; E336-S354 WeakPolarHBondContact OE1-CB 3.34Å; E336-S354 PolarHBondContact OE1-OG 3.48Å |
| 355 | M | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 111.6 | 171.1 | -54.2 | -53.8 | -57.8 | 0 | 0 | 108.9 | V20 Y21 Y286 Y297 E336 V337 F338 F340 I353 | V20-M355 HydrophobicContact CG1-CB 4.08Å; V20-M355 HydrophobicContact CG1-CE 3.85Å; Y21-M355 WeakPolarHBondContact O-CA 3.34Å; Y286-M355 HydrophobicContact CD1-CG 4.48Å; Y286-M355 HydrophobicContact CE1-CB 4.3Å; Y286-M355 HydrophobicContact CE1-CE 4.01Å; Y286-M355 HydrophobicContact CE1-CG 3.75Å; Y286-M355 HydrophobicContact CE1-SD 4.43Å; Y297-M355 HydrophobicContact CD1-CE 3.81Å; Y297-M355 HydrophobicContact CE1-CE 3.43Å; Y297-M355 VanDerWaalsContact CE1-CE 3.43Å; Y297-M355 HydrophobicContact CE2-CE 4.43Å; Y297-M355 HydrophobicContact CG-CE 4.48Å; E336-M355 WeakPolarHBondContact CA-O 3.28Å; V337-M355 HydrophobicContact CG2-CB 4.49Å; V337-M355 PolarHBondContact N-O 2.94Å; F338-M355 HydrophobicContact CB-CB 3.88Å; F338-M355 HydrophobicContact CB-CG 3.96Å; F338-M355 WeakPolarHBondContact O-CB 3.46Å; F338-M355 PolarHBondContact O-N 3.41Å; F340-M355 HydrophobicContact CD2-CG 4.21Å; F340-M355 HydrophobicContact CD2-SD 4.37Å; F340-M355 HydrophobicContact CE2-CG 3.99Å; F340-M355 HydrophobicContact CE2-SD 4.29Å; I353-M355 HydrophobicContact CG2-SD 4.26Å |
| 356 | I | 98.1 | Very high | 93.8 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.8 | -168.9 | -64.9 | 170 | 0 | 0 | 0 | 110.3 | V20 Y21 K23 A334 C335 P358 | V20-I356 VanDerWaalsContact CA-O 3.29Å; V20-I356 WeakPolarHBondContact CA-O 3.3Å; Y21-I356 HydrophobicContact CD1-CB 4.45Å; Y21-I356 HydrophobicContact CE1-CB 3.92Å; Y21-I356 HydrophobicContact CE1-CG2 3.8Å; Y21-I356 HydrophobicContact CE2-CB 4.43Å; Y21-I356 HydrophobicContact CE2-CD1 4.38Å; Y21-I356 PolarHBondContact N-O 2.94Å; Y21-I356 VanDerWaalsContact N-O 3.1Å; Y21-I356 PolarHBondContact O-N 2.93Å; K23-I356 HydrophobicContact CB-CD1 3.84Å; K23-I356 HydrophobicContact CD-CD1 3.82Å; K23-I356 HydrophobicContact CG-CD1 4.49Å; A334-I356 WeakPolarHBondContact O-CG2 3.37Å; C335-I356 WeakPolarHBondContact O-CA 3.42Å; I356-P358 WeakPolarHBondContact O-CD 3.1Å |
| 357 | V | 97.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | trans | -85.9 | 114.3 | 166.7 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | F17 V20 C335 V337 R359 I368 | F17-V357 HydrophobicContact CD1-CG2 3.78Å; F17-V357 HydrophobicContact CE1-CG2 4.07Å; V20-V357 HydrophobicContact CG2-CB 4.43Å; V20-V357 HydrophobicContact CG2-CG2 3.58Å; C335-V357 WeakPolarHBondContact CB-O 3.29Å; C335-V357 PolarHBondContact O-N 3.09Å; V337-V357 HydrophobicContact CB-CG2 4.46Å; V337-V357 HydrophobicContact CG1-CG2 3.55Å; V337-V357 HydrophobicContact CG2-CG2 4.04Å; V357-R359 HydrophobicContact CG1-CG 4.27Å; V357-R359 PolarHBondContact O-N 2.78Å; V357-R359 VanDerWaalsContact O-N 3.13Å; V357-I368 HydrophobicContact CB-CD1 4.01Å; V357-I368 HydrophobicContact CG1-CD1 4.39Å; V357-I368 HydrophobicContact CG2-CD1 4.21Å | ||
| 358 | P | 95.9 | Very high | 94 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 43% | 0.429 | 25% | 0.254 | S | S | . | . | trans | -67.8 | 116.1 | -178.8 | 26.4 | -32.9 | 0 | 0 | 0 | 110.8 | N19 Y21 I356 | N19-P358 HydrophobicContact CB-CG 3.8Å; N19-P358 WeakPolarHBondContact O-CD 3.19Å; N19-P358 WeakPolarHBondContact O-CG 3.47Å; Y21-P358 HydrophobicContact CE1-CB 4.22Å; I356-P358 WeakPolarHBondContact O-CD 3.1Å | ||
| 359 | R | 93.6 | Very high | 94.1 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | trans | -126 | 149.9 | 175.7 | -67.2 | -70.3 | 178 | 117.1 | -6.9 | 110.4 | V357 Q365 D367 | V357-R359 HydrophobicContact CG1-CG 4.27Å; V357-R359 PolarHBondContact O-N 2.78Å; V357-R359 VanDerWaalsContact O-N 3.13Å; R359-Q365 HydrophobicContact CG-CG 4.17Å; R359-D367 IonicContact CZ-OD1 3.44Å; R359-D367 IonicContact CZ-OD2 2.66Å; R359-D367 IonicContact NH1-OD1 2.71Å; R359-D367 PolarHBondContact NH1-OD1 3.07Å; R359-D367 IonicContact NH1-OD2 2.66Å; R359-D367 PolarHBondContact NH1-OD2 3.41Å; R359-D367 IonicContact NH2-OD1 3.32Å; R359-D367 IonicContact NH2-OD2 3.24Å; R359-D367 PolarHBondContact NH2-OD2 3.01Å | ||
| 360 | R | 84.9 | Confident | 94 | Very high | 262 Ų | 262 | 52.6 Ų | 52.6 | 99% | 0.989 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -103.3 | 53.7 | 176.4 | -62.3 | -176.9 | -177.7 | -179.8 | 0.3 | 109.9 | ||
| 361 | S | 82.9 | Confident | 93.9 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | trans | -160.4 | 138.3 | 178.1 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | S363 | S361-S363 VanDerWaalsContact C-N 3.25Å; S361-S363 WeakPolarHBondContact OG-CB 3.29Å; S361-S363 PolarHBondContact OG-N 3.13Å; S361-S363 PolarHBondContact OG-OG 3.22Å | ||
| 362 | D | 79.6 | Confident | 93.8 | Very high | 171 Ų | 171 | 56.1 Ų | 56.1 | 91% | 0.914 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -87.4 | 3.2 | 173.3 | -52.5 | -43.7 | 0 | 0 | 0 | 112.1 | ||
| 363 | S | 89.9 | Confident | 93.6 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 49% | 0.49 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -81.8 | 153.2 | 177 | 67 | 0 | 0 | 0 | 0 | 111.9 | S361 Q365 | S361-S363 VanDerWaalsContact C-N 3.25Å; S361-S363 WeakPolarHBondContact OG-CB 3.29Å; S361-S363 PolarHBondContact OG-N 3.13Å; S361-S363 PolarHBondContact OG-OG 3.22Å; S363-Q365 PolarHBondContact O-N 3.05Å; S363-Q365 PolarHBondContact O-NE2 3.22Å; S363-Q365 PolarHBondContact OG-NE2 2.59Å |
| 364 | Y | 92.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 59.1 Ų | 59.1 | 19% | 0.192 | 30% | 0.304 | C | S | . | . | trans | -59.5 | 126.4 | 175.1 | -178.5 | -105.1 | 0 | 0 | 0 | 111.4 | V332 E366 Y369 L397 K398 | V332-Y364 HydrophobicContact CB-CE2 4.33Å; V332-Y364 HydrophobicContact CG2-CD2 4.48Å; V332-Y364 HydrophobicContact CG2-CE2 4.48Å; Y364-E366 HydrophobicContact CD1-CG 3.53Å; Y364-E366 HydrophobicContact CE1-CB 4.4Å; Y364-E366 HydrophobicContact CE1-CG 3.68Å; Y364-E366 PolarHBondContact O-N 2.66Å; Y364-Y369 HydrophobicContact CD2-CD2 4.33Å; Y364-Y369 AromaticContact CE2-CD2 3.8Å; Y364-Y369 HydrophobicContact CE2-CD2 3.8Å; Y364-Y369 HydrophobicContact CE2-CG 4.15Å; Y364-Y369 WeakPolarHBondContact OH-CB 3.43Å; Y364-Y369 PolarHBondContact OH-O 3.44Å; Y364-L397 HydrophobicContact CE2-CB 4.32Å; Y364-K398 HydrophobicContact CD1-CB 3.92Å; Y364-K398 HydrophobicContact CD1-CD 3.87Å; Y364-K398 HydrophobicContact CD1-CG 3.69Å; Y364-K398 HydrophobicContact CD2-CB 4.31Å; Y364-K398 HydrophobicContact CD2-CG 4.36Å; Y364-K398 HydrophobicContact CE1-CB 3.67Å; Y364-K398 HydrophobicContact CE1-CD 4.17Å; Y364-K398 HydrophobicContact CE1-CG 3.98Å; Y364-K398 VanDerWaalsContact CE2-CA 3.5Å; Y364-K398 HydrophobicContact CE2-CB 4.11Å; Y364-K398 HydrophobicContact CG-CB 4.21Å; Y364-K398 HydrophobicContact CG-CD 4.48Å; Y364-K398 HydrophobicContact CG-CG 3.88Å; Y364-K398 PolarHBondContact OH-N 2.86Å | ||
| 365 | Q | 94.5 | Very high | 93.1 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | trans | -93.8 | 81.6 | -174.4 | -57.9 | -64.1 | -64.5 | 0 | 0 | 111.1 | R359 S363 D367 I368 Y369 | R359-Q365 HydrophobicContact CG-CG 4.17Å; S363-Q365 PolarHBondContact O-N 3.05Å; S363-Q365 PolarHBondContact O-NE2 3.22Å; S363-Q365 PolarHBondContact OG-NE2 2.59Å; Q365-D367 PolarHBondContact O-N 2.97Å; Q365-D367 VanDerWaalsContact O-N 3.08Å; Q365-I368 HydrophobicContact CB-CD1 3.81Å; Q365-I368 HydrophobicContact CB-CG1 3.61Å; Q365-I368 HydrophobicContact CG-CD1 4.3Å; Q365-I368 WeakPolarHBondContact O-CG1 3.42Å; Q365-I368 PolarHBondContact O-N 3.29Å; Q365-I368 VanDerWaalsContact O-N 3.13Å; Q365-Y369 HydrophobicContact CB-CD2 4.26Å; Q365-Y369 HydrophobicContact CB-CE2 4.29Å; Q365-Y369 VanDerWaalsContact O-CD2 3.23Å; Q365-Y369 WeakPolarHBondContact O-CD2 3.46Å; Q365-Y369 PolarHBondContact O-N 2.8Å | ||
| 366 | E | 93.2 | Very high | 92.9 | Very high | 121 Ų | 121 | 63 Ų | 63 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29.3 | -176.8 | -65.1 | -175.7 | 173.4 | 0 | 0 | 113.2 | Y364 I368 Y369 K398 | Y364-E366 HydrophobicContact CD1-CG 3.53Å; Y364-E366 HydrophobicContact CE1-CB 4.4Å; Y364-E366 HydrophobicContact CE1-CG 3.68Å; Y364-E366 PolarHBondContact O-N 2.66Å; E366-I368 VanDerWaalsContact C-N 3.34Å; E366-I368 PolarHBondContact O-N 3.21Å; E366-Y369 CarbonylContact O-C 3.5Å; E366-Y369 PolarHBondContact O-N 2.81Å; E366-K398 IonicContact OE1-NZ 3.17Å; E366-K398 PolarHBondContact OE1-NZ 3.37Å |
| 367 | D | 93.3 | Very high | 92.8 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -22.8 | -177.5 | 76.1 | -66.3 | 0 | 0 | 0 | 114 | K16 R359 Q365 | K16-D367 PolarHBondContact NZ-O 3.12Å; R359-D367 IonicContact CZ-OD1 3.44Å; R359-D367 IonicContact CZ-OD2 2.66Å; R359-D367 IonicContact NH1-OD1 2.71Å; R359-D367 PolarHBondContact NH1-OD1 3.07Å; R359-D367 IonicContact NH1-OD2 2.66Å; R359-D367 PolarHBondContact NH1-OD2 3.41Å; R359-D367 IonicContact NH2-OD1 3.32Å; R359-D367 IonicContact NH2-OD2 3.24Å; R359-D367 PolarHBondContact NH2-OD2 3.01Å; Q365-D367 PolarHBondContact O-N 2.97Å; Q365-D367 VanDerWaalsContact O-N 3.08Å |
| 368 | I | 95.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -2.3 | 176.5 | 65.2 | 175.8 | 0 | 0 | 0 | 113.1 | K16 F17 C335 V337 V357 Q365 E366 | K16-I368 HydrophobicContact CD-CG2 4.12Å; F17-I368 HydrophobicContact CE1-CB 4.38Å; F17-I368 HydrophobicContact CE1-CG2 4.07Å; C335-I368 HydrophobicContact CB-CD1 4.2Å; V337-I368 HydrophobicContact CG1-CB 4.44Å; V337-I368 HydrophobicContact CG1-CD1 4.1Å; V357-I368 HydrophobicContact CB-CD1 4.01Å; V357-I368 HydrophobicContact CG1-CD1 4.39Å; V357-I368 HydrophobicContact CG2-CD1 4.21Å; Q365-I368 HydrophobicContact CB-CD1 3.81Å; Q365-I368 HydrophobicContact CB-CG1 3.61Å; Q365-I368 HydrophobicContact CG-CD1 4.3Å; Q365-I368 WeakPolarHBondContact O-CG1 3.42Å; Q365-I368 PolarHBondContact O-N 3.29Å; Q365-I368 VanDerWaalsContact O-N 3.13Å; E366-I368 VanDerWaalsContact C-N 3.34Å; E366-I368 PolarHBondContact O-N 3.21Å |
| 369 | Y | 96.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 61.1 Ų | 61.1 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | trans | -127.9 | 73.2 | 178 | -60.7 | -59.9 | 0 | 0 | 0 | 110.5 | V332 C335 E336 V337 Y364 Q365 E366 L397 | V332-Y369 HydrophobicContact CB-CE1 4.5Å; V332-Y369 HydrophobicContact CB-CE2 4.02Å; V332-Y369 HydrophobicContact CG1-CD1 4.25Å; V332-Y369 HydrophobicContact CG1-CE1 3.95Å; V332-Y369 HydrophobicContact CG1-CE2 4.28Å; C335-Y369 WeakPolarHBondContact CA-OH 3.13Å; E336-Y369 PolarHBondContact N-OH 2.84Å; E336-Y369 VanDerWaalsContact N-OH 3.1Å; E336-Y369 WeakPolarHBondContact O-CE1 3.42Å; E336-Y369 PolarHBondContact O-OH 2.83Å; V337-Y369 HydrophobicContact CG1-CE1 4.25Å; Y364-Y369 HydrophobicContact CD2-CD2 4.33Å; Y364-Y369 AromaticContact CE2-CD2 3.8Å; Y364-Y369 HydrophobicContact CE2-CD2 3.8Å; Y364-Y369 HydrophobicContact CE2-CG 4.15Å; Y364-Y369 WeakPolarHBondContact OH-CB 3.43Å; Y364-Y369 PolarHBondContact OH-O 3.44Å; Q365-Y369 HydrophobicContact CB-CD2 4.26Å; Q365-Y369 HydrophobicContact CB-CE2 4.29Å; Q365-Y369 VanDerWaalsContact O-CD2 3.23Å; Q365-Y369 WeakPolarHBondContact O-CD2 3.46Å; Q365-Y369 PolarHBondContact O-N 2.8Å; E366-Y369 CarbonylContact O-C 3.5Å; E366-Y369 PolarHBondContact O-N 2.81Å; Y369-L397 HydrophobicContact CD1-CD1 4Å | ||
| 370 | P | 96.1 | Very high | 93.1 | Very high | 51 Ų | 51 | 60.4 Ų | 60.4 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | trans | -64.3 | 172.9 | 170.1 | 32.3 | -36.4 | 0 | 0 | 0 | 110.7 | D281 T372 | D281-P370 HydrophobicContact CB-CG 3.71Å; D281-P370 WeakPolarHBondContact O-CG 3.28Å; P370-T372 PolarHBondContact O-N 2.9Å | ||
| 371 | M | 96.2 | Very high | 93.6 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 49% | 0.493 | 27% | 0.268 | S | S | . | . | trans | -57.2 | 129.2 | 168.8 | -66.5 | -64.3 | -69.9 | 0 | 0 | 109.5 | L394 M395 | M371-L394 HydrophobicContact CB-CB 3.99Å; M371-L394 HydrophobicContact CB-CD1 3.98Å; M371-L394 HydrophobicContact CE-CB 4.09Å; M371-M395 VanDerWaalsContact CE-C 3.41Å | ||
| 372 | T | 95.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154.4 | -172.3 | -166.4 | 0 | 0 | 0 | 0 | 110.3 | D281 K327 P370 G374 L394 M395 L397 | D281-T372 PolarHBondContact OD1-OG1 3.1Å; D281-T372 WeakPolarHBondContact OD2-CB 3.49Å; D281-T372 PolarHBondContact OD2-OG1 3.44Å; K327-T372 HydrophobicContact CB-CG2 3.94Å; K327-T372 WeakPolarHBondContact CB-OG1 3.3Å; K327-T372 WeakPolarHBondContact CG-OG1 3.33Å; P370-T372 PolarHBondContact O-N 2.9Å; T372-G374 PolarHBondContact O-N 2.93Å; T372-L394 CarbonylContact O-C 3.6Å; T372-L394 VanDerWaalsContact O-CA 3.31Å; T372-L394 WeakPolarHBondContact O-CA 3.45Å; T372-M395 HydrophobicContact CG2-CG 4.15Å; T372-M395 PolarHBondContact N-O 3.43Å; T372-M395 PolarHBondContact O-N 3.21Å; T372-L397 HydrophobicContact CG2-CD1 4.29Å; T372-L397 HydrophobicContact CG2-CD2 3.75Å; T372-L397 HydrophobicContact CG2-CG 3.92Å |
| 373 | P | 95.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 124.3 | 173.9 | -29 | 37.6 | 0 | 0 | 0 | 112.3 | P392 L394 | P373-P392 HydrophobicContact CB-CB 3.81Å; P373-P392 HydrophobicContact CB-CG 4.32Å; P373-P392 HydrophobicContact CG-CB 4.07Å; P373-P392 HydrophobicContact CG-CG 4.14Å; P373-L394 HydrophobicContact CG-CD2 4.35Å |
| 374 | G | 93.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | trans | -86.2 | -167.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | T372 V393 M395 | T372-G374 PolarHBondContact O-N 2.93Å; G374-V393 PolarHBondContact N-O 3.04Å; G374-M395 VanDerWaalsContact CA-SD 3.56Å | ||
| 375 | T | 92.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -98 | 8.2 | -179.9 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | F98 Y401 S404 | F98-T375 WeakPolarHBondContact CA-O 3.07Å; F98-T375 WeakPolarHBondContact CB-O 3.48Å; T375-Y401 HydrophobicContact CG2-CE2 4.11Å; T375-S404 PolarHBondContact OG1-OG 3.34Å |
| 376 | E | 94.4 | Very high | 95.9 | Very high | 103 Ų | 103 | 45.4 Ų | 45.4 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -94.9 | 126.9 | 176.5 | -67.7 | -173.6 | 177.3 | 0 | 0 | 109.8 | V393 | E376-V393 HydrophobicContact CB-CB 4.11Å; E376-V393 HydrophobicContact CB-CG1 4.19Å; E376-V393 HydrophobicContact CB-CG2 4.33Å |
| 377 | P | 96.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 41.7 Ų | 41.7 | 21% | 0.208 | 26% | 0.256 | C | S | . | . | trans | -68.3 | 139.9 | 175.3 | 30.4 | -35.2 | 0 | 0 | 0 | 110.1 | F98 T148 N150 M407 | F98-P377 HydrophobicContact CD1-CB 4.01Å; F98-P377 HydrophobicContact CD2-CB 4.18Å; F98-P377 HydrophobicContact CE1-CB 4Å; F98-P377 HydrophobicContact CE2-CB 4.16Å; F98-P377 HydrophobicContact CG-CB 4.1Å; F98-P377 HydrophobicContact CZ-CB 4.07Å; T148-P377 CarbonylContact O-C 3.55Å; N150-P377 HydrophobicContact CB-CB 3.79Å; N150-P377 HydrophobicContact CB-CG 3.94Å; P377-M407 VanDerWaalsContact CD-SD 3.54Å; P377-M407 HydrophobicContact CG-CE 4.03Å; P377-M407 HydrophobicContact CG-SD 3.66Å | ||
| 378 | A | 97.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -78.5 | -26.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | T148 R390 D391 V393 | T148-A378 PolarHBondContact O-N 3.08Å; A378-R390 HydrophobicContact CB-CB 4.04Å; A378-R390 HydrophobicContact CB-CG 4.06Å; A378-R390 WeakPolarHBondContact O-CD 3.41Å; A378-R390 PolarHBondContact O-NH1 3.45Å; A378-D391 VanDerWaalsContact CB-O 3.24Å; A378-D391 WeakPolarHBondContact CB-O 3.45Å; A378-V393 HydrophobicContact CB-CG2 4.2Å |
| 379 | L | 98.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -138.2 | 154 | -174.8 | -63.8 | 172.1 | 0 | 0 | 0 | 112.4 | T148 T149 N150 E383 W384 I388 R390 | T148-L379 PolarHBondContact O-N 3.15Å; T148-L379 VanDerWaalsContact O-N 3.11Å; T149-L379 WeakPolarHBondContact CA-O 3.49Å; T149-L379 HydrophobicContact CG2-CB 4.13Å; N150-L379 PolarHBondContact N-O 2.82Å; L379-E383 HydrophobicContact CB-CB 4.48Å; L379-E383 HydrophobicContact CD2-CB 4.03Å; L379-W384 HydrophobicContact CD1-CB 4.18Å; L379-I388 HydrophobicContact CD1-CG2 4.36Å; L379-I388 WeakPolarHBondContact CD1-O 3.41Å; L379-I388 HydrophobicContact CD2-CB 4.35Å; L379-I388 HydrophobicContact CD2-CG2 3.68Å; L379-R390 HydrophobicContact CD1-CB 4.01Å; L379-R390 HydrophobicContact CD2-CB 3.92Å; L379-R390 HydrophobicContact CG-CB 3.86Å |
| 380 | T | 97 | Very high | 96.5 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 42% | 0.423 | 29% | 0.294 | S | S | . | . | trans | -83.6 | 159.5 | 162.3 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | T149 D382 E383 W384 | T149-T380 VanDerWaalsContact CG2-C 3.46Å; T149-T380 WeakPolarHBondContact CG2-O 3.36Å; T380-D382 VanDerWaalsContact C-N 3.31Å; T380-D382 PolarHBondContact O-N 2.94Å; T380-E383 PolarHBondContact N-OE2 3.02Å; T380-E383 PolarHBondContact O-N 3.3Å; T380-E383 VanDerWaalsContact OG1-CG 3.25Å; T380-E383 WeakPolarHBondContact OG1-CG 3.25Å; T380-E383 PolarHBondContact OG1-N 2.81Å; T380-E383 PolarHBondContact OG1-OE2 3.35Å; T380-W384 PolarHBondContact O-N 3.43Å; T380-W384 VanDerWaalsContact O-N 3.15Å | ||
| 381 | P | 96.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.032 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -49.8 | -47 | 172.8 | -35 | 41.3 | 0 | 0 | 0 | 114.2 | N150 N151 I152 D168 E383 W384 L385 | N150-P381 WeakPolarHBondContact O-CD 3.36Å; N150-P381 VanDerWaalsContact O-CG 3.24Å; N150-P381 WeakPolarHBondContact O-CG 3.43Å; N151-P381 HydrophobicContact CB-CG 4.05Å; I152-P381 HydrophobicContact CD1-CB 3.83Å; I152-P381 HydrophobicContact CD1-CG 4.23Å; I152-P381 HydrophobicContact CG1-CB 4.3Å; I152-P381 HydrophobicContact CG1-CG 4.34Å; D168-P381 WeakPolarHBondContact OD2-CG 3.48Å; P381-E383 PolarHBondContact O-N 2.83Å; P381-W384 PolarHBondContact O-N 3.45Å; P381-L385 VanDerWaalsContact O-CB 3.26Å; P381-L385 WeakPolarHBondContact O-CB 3.23Å; P381-L385 WeakPolarHBondContact O-CG 3.34Å; P381-L385 PolarHBondContact O-N 2.84Å |
| 382 | D | 96.7 | Very high | 96.7 | Very high | 124 Ų | 124 | 48.6 Ų | 48.6 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.5 | -40 | -176.7 | -69.9 | -22.5 | 0 | 0 | 0 | 112.3 | T380 G386 | T380-D382 VanDerWaalsContact C-N 3.31Å; T380-D382 PolarHBondContact O-N 2.94Å; D382-G386 WeakPolarHBondContact O-CA 3.16Å; D382-G386 PolarHBondContact O-N 3.09Å |
| 383 | E | 98.1 | Very high | 96.7 | Very high | 63 Ų | 63 | 51 Ų | 51 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.8 | -74 | 170.7 | 125.9 | 0 | 0 | 111.5 | L379 T380 P381 G386 G387 I388 | L379-E383 HydrophobicContact CB-CB 4.48Å; L379-E383 HydrophobicContact CD2-CB 4.03Å; T380-E383 PolarHBondContact N-OE2 3.02Å; T380-E383 PolarHBondContact O-N 3.3Å; T380-E383 VanDerWaalsContact OG1-CG 3.25Å; T380-E383 WeakPolarHBondContact OG1-CG 3.25Å; T380-E383 PolarHBondContact OG1-N 2.81Å; T380-E383 PolarHBondContact OG1-OE2 3.35Å; P381-E383 PolarHBondContact O-N 2.83Å; E383-G386 PolarHBondContact O-N 2.92Å; E383-G387 PolarHBondContact O-N 3.31Å; E383-I388 HydrophobicContact CB-CB 4.46Å; E383-I388 HydrophobicContact CB-CD1 3.96Å; E383-I388 HydrophobicContact CG-CD1 4.13Å; E383-I388 VanDerWaalsContact O-CB 3.31Å; E383-I388 WeakPolarHBondContact O-CB 3.25Å; E383-I388 WeakPolarHBondContact O-CG1 3.19Å; E383-I388 PolarHBondContact O-N 2.93Å |
| 384 | W | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -46 | -179.4 | 178.7 | 79.8 | 0 | 0 | 0 | 111.7 | H146 T149 I152 F154 I164 P209 R210 L379 T380 P381 G386 G387 | H146-W384 AromaticContact CD2-CE2 3.82Å; H146-W384 AromaticContact CD2-CZ2 3.85Å; H146-W384 AromaticContact CD2-NE1 3.91Å; H146-W384 AromaticContact CE1-CD1 3.66Å; H146-W384 AromaticContact CE1-NE1 3.45Å; H146-W384 PolarHBondContact CE1-NE1 2.92Å; H146-W384 AromaticContact NE2-CD1 3.66Å; H146-W384 AromaticContact NE2-CE2 3.33Å; H146-W384 VanDerWaalsContact NE2-CE2 3.33Å; H146-W384 AromaticContact NE2-CZ2 3.68Å; H146-W384 AromaticContact NE2-NE1 2.96Å; H146-W384 PolarHBondContact NE2-NE1 2.77Å; T149-W384 HydrophobicContact CG2-CB 3.75Å; T149-W384 HydrophobicContact CG2-CG 4.36Å; I152-W384 HydrophobicContact CD1-CE3 4.25Å; I152-W384 HydrophobicContact CD1-CZ3 4.43Å; I152-W384 HydrophobicContact CG1-CE3 4.11Å; I152-W384 HydrophobicContact CG1-CZ3 4.49Å; I152-W384 HydrophobicContact CG2-CE3 4.28Å; I152-W384 HydrophobicContact CG2-CH2 4.31Å; I152-W384 HydrophobicContact CG2-CZ3 3.94Å; F154-W384 AromaticContact CE2-CH2 3.99Å; F154-W384 HydrophobicContact CE2-CH2 3.99Å; F154-W384 HydrophobicContact CE2-CZ2 4.46Å; F154-W384 AromaticContact CZ-CH2 3.79Å; F154-W384 HydrophobicContact CZ-CH2 3.79Å; F154-W384 HydrophobicContact CZ-CZ2 4.17Å; I164-W384 HydrophobicContact CG2-CH2 4.11Å; I164-W384 HydrophobicContact CG2-CZ3 4.02Å; P209-W384 HydrophobicContact CG-CH2 4.44Å; P209-W384 HydrophobicContact CG-CZ2 3.91Å; R210-W384 WeakPolarHBondContact CD-O 3.22Å; R210-W384 HydrophobicContact CG-CD2 4.35Å; R210-W384 HydrophobicContact CG-CE3 4.33Å; R210-W384 HydrophobicContact CG-CH2 3.68Å; R210-W384 HydrophobicContact CG-CZ2 3.7Å; R210-W384 HydrophobicContact CG-CZ3 4Å; R210-W384 PolarHBondContact NH1-O 2.93Å; R210-W384 VanDerWaalsContact NH1-O 3.12Å; L379-W384 HydrophobicContact CD1-CB 4.18Å; T380-W384 PolarHBondContact O-N 3.43Å; T380-W384 VanDerWaalsContact O-N 3.15Å; P381-W384 PolarHBondContact O-N 3.45Å; W384-G386 PolarHBondContact O-N 2.82Å; W384-G387 PolarHBondContact O-N 3.01Å |
| 385 | L | 97.3 | Very high | 96.8 | Very high | 48 Ų | 48 | 54 Ų | 54 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.1 | -31.9 | 175.4 | -71.6 | 170 | 0 | 0 | 0 | 111.9 | V173 K174 P381 G387 | V173-L385 HydrophobicContact CG2-CD1 4.22Å; V173-L385 HydrophobicContact CG2-CD2 3.85Å; K174-L385 HydrophobicContact CG-CD2 4.49Å; P381-L385 VanDerWaalsContact O-CB 3.26Å; P381-L385 WeakPolarHBondContact O-CB 3.23Å; P381-L385 WeakPolarHBondContact O-CG 3.34Å; P381-L385 PolarHBondContact O-N 2.84Å; L385-G387 PolarHBondContact O-N 3.13Å |
| 386 | G | 97.2 | Very high | 96.9 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -4.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D382 E383 W384 | D382-G386 WeakPolarHBondContact O-CA 3.16Å; D382-G386 PolarHBondContact O-N 3.09Å; E383-G386 PolarHBondContact O-N 2.92Å; W384-G386 PolarHBondContact O-N 2.82Å |
| 387 | G | 96.9 | Very high | 97 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102 | 5.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | R210 E383 W384 L385 | R210-G387 PolarHBondContact NH1-O 2.89Å; E383-G387 PolarHBondContact O-N 3.31Å; W384-G387 PolarHBondContact O-N 3.01Å; L385-G387 PolarHBondContact O-N 3.13Å |
| 388 | I | 98.4 | Very high | 96.7 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | trans | -78.1 | 137.4 | 178.7 | -58 | 172.9 | 0 | 0 | 0 | 109.7 | R210 L379 E383 | R210-I388 PolarHBondContact NH1-O 2.86Å; R210-I388 VanDerWaalsContact NH1-O 3.13Å; L379-I388 HydrophobicContact CD1-CG2 4.36Å; L379-I388 WeakPolarHBondContact CD1-O 3.41Å; L379-I388 HydrophobicContact CD2-CB 4.35Å; L379-I388 HydrophobicContact CD2-CG2 3.68Å; E383-I388 HydrophobicContact CB-CB 4.46Å; E383-I388 HydrophobicContact CB-CD1 3.96Å; E383-I388 HydrophobicContact CG-CD1 4.13Å; E383-I388 VanDerWaalsContact O-CB 3.31Å; E383-I388 WeakPolarHBondContact O-CB 3.25Å; E383-I388 WeakPolarHBondContact O-CG1 3.19Å; E383-I388 PolarHBondContact O-N 2.93Å | ||
| 389 | N | 97.6 | Very high | 96.1 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | trans | -116 | 141.3 | 169.5 | -59.5 | -30.5 | 0 | 0 | 0 | 108.7 | S193 R210 | S193-N389 VanDerWaalsContact CB-CG 3.46Å; S193-N389 WeakPolarHBondContact CB-ND2 3.27Å; S193-N389 WeakPolarHBondContact CB-OD1 3.48Å; R210-N389 PolarHBondContact NH1-OD1 2.94Å; R210-N389 PolarHBondContact NH2-OD1 3.14Å | ||
| 390 | R | 98 | Very high | 95.1 | Very high | 126 Ų | 126 | 63.5 Ų | 63.5 | 48% | 0.475 | 36% | 0.358 | S | S | . | . | trans | -150.4 | 135.5 | 176.6 | -162.9 | 179.2 | -77.9 | 161.1 | -4.2 | 109.2 | T148 A378 L379 | T148-R390 WeakPolarHBondContact CG2-O 3.33Å; A378-R390 HydrophobicContact CB-CB 4.04Å; A378-R390 HydrophobicContact CB-CG 4.06Å; A378-R390 WeakPolarHBondContact O-CD 3.41Å; A378-R390 PolarHBondContact O-NH1 3.45Å; L379-R390 HydrophobicContact CD1-CB 4.01Å; L379-R390 HydrophobicContact CD2-CB 3.92Å; L379-R390 HydrophobicContact CG-CB 3.86Å | ||
| 391 | D | 97.8 | Very high | 94.1 | Very high | 93 Ų | 93 | 63.3 Ų | 63.3 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | trans | -60.3 | 155.7 | 173.1 | -75.1 | -35.9 | 0 | 0 | 0 | 111.1 | A378 | A378-D391 VanDerWaalsContact CB-O 3.24Å; A378-D391 WeakPolarHBondContact CB-O 3.45Å | ||
| 392 | P | 97.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 69.1 Ų | 69.1 | 10% | 0.097 | 38% | 0.375 | C | S | . | . | trans | -56 | 145.3 | 176.3 | -18.9 | 27.1 | 0 | 0 | 0 | 112.4 | T148 T190 P373 L394 | T148-P392 HydrophobicContact CG2-CB 4.15Å; T148-P392 HydrophobicContact CG2-CG 3.67Å; T190-P392 HydrophobicContact CG2-CG 3.92Å; T190-P392 WeakPolarHBondContact O-CG 3.4Å; P373-P392 HydrophobicContact CB-CB 3.81Å; P373-P392 HydrophobicContact CB-CG 4.32Å; P373-P392 HydrophobicContact CG-CB 4.07Å; P373-P392 HydrophobicContact CG-CG 4.14Å; P392-L394 HydrophobicContact CB-CD2 4.47Å; P392-L394 PolarHBondContact O-N 3.23Å | ||
| 393 | V | 96.8 | Very high | 91.2 | Very high | 54 Ų | 54 | 68.9 Ų | 68.9 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | trans | -68.5 | 114.6 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 108 | G374 E376 A378 | G374-V393 PolarHBondContact N-O 3.04Å; E376-V393 HydrophobicContact CB-CB 4.11Å; E376-V393 HydrophobicContact CB-CG1 4.19Å; E376-V393 HydrophobicContact CB-CG2 4.33Å; A378-V393 HydrophobicContact CB-CG2 4.2Å | ||
| 394 | L | 95.8 | Very high | 89.2 | Confident | 94 Ų | 94 | 68.2 Ų | 68.2 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 147.6 | -174.9 | -53.8 | -179.6 | 0 | 0 | 0 | 111.9 | M371 T372 P373 P392 | M371-L394 HydrophobicContact CB-CB 3.99Å; M371-L394 HydrophobicContact CB-CD1 3.98Å; M371-L394 HydrophobicContact CE-CB 4.09Å; T372-L394 CarbonylContact O-C 3.6Å; T372-L394 VanDerWaalsContact O-CA 3.31Å; T372-L394 WeakPolarHBondContact O-CA 3.45Å; P373-L394 HydrophobicContact CG-CD2 4.35Å; P392-L394 HydrophobicContact CB-CD2 4.47Å; P392-L394 PolarHBondContact O-N 3.23Å |
| 395 | M | 94.4 | Very high | 87.5 | Confident | 40 Ų | 40 | 69.3 Ų | 69.3 | 20% | 0.197 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 155.6 | 174.4 | 68.4 | 177.4 | -67.8 | 0 | 0 | 111.8 | H328 M371 T372 G374 | H328-M395 HydrophobicContact CB-CE 4.49Å; H328-M395 HydrophobicContact CB-SD 4.26Å; M371-M395 VanDerWaalsContact CE-C 3.41Å; T372-M395 HydrophobicContact CG2-CG 4.15Å; T372-M395 PolarHBondContact N-O 3.43Å; T372-M395 PolarHBondContact O-N 3.21Å; G374-M395 VanDerWaalsContact CA-SD 3.56Å |
| 396 | S | 95.3 | Very high | 86.3 | Confident | 48 Ų | 48 | 76.6 Ų | 76.6 | 34% | 0.336 | 41% | 0.408 | S | S | . | . | trans | -88.1 | 141.5 | 169 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | K398 | S396-K398 VanDerWaalsContact C-N 3.3Å; S396-K398 WeakPolarHBondContact OG-CB 3.07Å; S396-K398 PolarHBondContact OG-N 3.02Å | ||
| 397 | L | 94.6 | Very high | 85.6 | Confident | 6 Ų | 6 | 76.8 Ų | 76.8 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -84.8 | -2.7 | 173.1 | -57.7 | -179 | 0 | 0 | 0 | 113.4 | K327 H328 V332 Y364 Y369 T372 E399 G400 | K327-L397 HydrophobicContact CB-CD1 4.38Å; H328-L397 HydrophobicContact CB-CD2 4.06Å; V332-L397 HydrophobicContact CG1-CB 3.89Å; V332-L397 HydrophobicContact CG1-CD1 4.09Å; Y364-L397 HydrophobicContact CE2-CB 4.32Å; Y369-L397 HydrophobicContact CD1-CD1 4Å; T372-L397 HydrophobicContact CG2-CD1 4.29Å; T372-L397 HydrophobicContact CG2-CD2 3.75Å; T372-L397 HydrophobicContact CG2-CG 3.92Å; L397-E399 VanDerWaalsContact C-N 3.32Å; L397-E399 PolarHBondContact O-N 2.84Å; L397-G400 PolarHBondContact O-N 3.01Å; L397-G400 VanDerWaalsContact O-N 3.13Å |
| 398 | K | 91.4 | Very high | 85 | Confident | 117 Ų | 117 | 79.6 Ų | 79.6 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -35.9 | -173.4 | -171.4 | 169.5 | -173.4 | 167.4 | 0 | 113.8 | Y364 E366 S396 G400 | Y364-K398 HydrophobicContact CD1-CB 3.92Å; Y364-K398 HydrophobicContact CD1-CD 3.87Å; Y364-K398 HydrophobicContact CD1-CG 3.69Å; Y364-K398 HydrophobicContact CD2-CB 4.31Å; Y364-K398 HydrophobicContact CD2-CG 4.36Å; Y364-K398 HydrophobicContact CE1-CB 3.67Å; Y364-K398 HydrophobicContact CE1-CD 4.17Å; Y364-K398 HydrophobicContact CE1-CG 3.98Å; Y364-K398 VanDerWaalsContact CE2-CA 3.5Å; Y364-K398 HydrophobicContact CE2-CB 4.11Å; Y364-K398 HydrophobicContact CG-CB 4.21Å; Y364-K398 HydrophobicContact CG-CD 4.48Å; Y364-K398 HydrophobicContact CG-CG 3.88Å; Y364-K398 PolarHBondContact OH-N 2.86Å; E366-K398 IonicContact OE1-NZ 3.17Å; E366-K398 PolarHBondContact OE1-NZ 3.37Å; S396-K398 VanDerWaalsContact C-N 3.3Å; S396-K398 WeakPolarHBondContact OG-CB 3.07Å; S396-K398 PolarHBondContact OG-N 3.02Å; K398-G400 VanDerWaalsContact C-N 3.27Å; K398-G400 PolarHBondContact O-N 3.01Å |
| 399 | E | 83.7 | Confident | 84.5 | Confident | 143 Ų | 143 | 76.5 Ų | 76.5 | 67% | 0.668 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.4 | -179.3 | -61.6 | -165.7 | -175.5 | 0 | 0 | 113.8 | L397 K402 | L397-E399 VanDerWaalsContact C-N 3.32Å; L397-E399 PolarHBondContact O-N 2.84Å; E399-K402 IonicContact OE2-NZ 3.28Å; E399-K402 PolarHBondContact OE2-NZ 2.62Å |
| 400 | G | 77.1 | Confident | 84 | Confident | 33 Ų | 33 | 81 Ų | 81 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | trans | 70 | 172.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L397 K398 K402 | L397-G400 PolarHBondContact O-N 3.01Å; L397-G400 VanDerWaalsContact O-N 3.13Å; K398-G400 VanDerWaalsContact C-N 3.27Å; K398-G400 PolarHBondContact O-N 3.01Å; G400-K402 PolarHBondContact O-N 3.37Å | ||
| 401 | Y | 76.7 | Confident | 83.2 | Confident | 65 Ų | 65 | 77 Ų | 77 | 26% | 0.255 | 39% | 0.394 | S | S | . | . | trans | -73.3 | 111.9 | 174.3 | -177 | -118.6 | 0 | 0 | 0 | 110.5 | A50 D100 H328 T375 | A50-Y401 HydrophobicContact CB-CD1 3.93Å; A50-Y401 HydrophobicContact CB-CE1 3.7Å; D100-Y401 PolarHBondContact OD2-OH 2.76Å; H328-Y401 HydrophobicContact CB-CD2 3.74Å; H328-Y401 HydrophobicContact CB-CE2 4.37Å; H328-Y401 HydrophobicContact CB-CG 4.39Å; H328-Y401 AromaticContact CD2-CD2 3.6Å; H328-Y401 AromaticContact CD2-CE2 3.52Å; H328-Y401 AromaticContact CG-CD2 3.88Å; H328-Y401 VanDerWaalsContact O-CB 3.28Å; H328-Y401 WeakPolarHBondContact O-CB 3.35Å; T375-Y401 HydrophobicContact CG2-CE2 4.11Å | ||
| 402 | K | 67.6 | Low | 82.6 | Confident | 128 Ų | 128 | 73.9 Ų | 73.9 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | trans | -103.7 | 126.5 | 164.2 | -64.1 | 173.9 | -172.9 | 165.3 | 0 | 106.3 | E399 G400 S404 | E399-K402 IonicContact OE2-NZ 3.28Å; E399-K402 PolarHBondContact OE2-NZ 2.62Å; G400-K402 PolarHBondContact O-N 3.37Å; K402-S404 VanDerWaalsContact C-N 3.32Å; K402-S404 PolarHBondContact O-N 3.03Å | ||
| 403 | K | 65 | Low | 81.4 | Confident | 118 Ų | 118 | 80.9 Ų | 80.9 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | trans | -52.7 | 96.6 | 173.3 | -174.6 | -179.5 | -177.1 | -178.5 | 0 | 108.5 | E119 | E119-K403 IonicContact OE1-NZ 3.28Å; E119-K403 PolarHBondContact OE1-NZ 2.8Å; E119-K403 IonicContact OE2-NZ 2.72Å | ||
| 404 | S | 55.5 | Low | 79.5 | Confident | 50 Ų | 50 | 86.1 Ų | 86.1 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | trans | -93.4 | -34.3 | -173.3 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | T375 K402 K406 | T375-S404 PolarHBondContact OG1-OG 3.34Å; K402-S404 VanDerWaalsContact C-N 3.32Å; K402-S404 PolarHBondContact O-N 3.03Å; S404-K406 PolarHBondContact O-N 2.61Å; S404-K406 VanDerWaalsContact O-N 3.11Å | ||
| 405 | S | 63.8 | Low | 77.5 | Confident | 23 Ų | 23 | 87.7 Ų | 87.7 | 16% | 0.161 | 44% | 0.437 | C | S | . | . | trans | -73 | 106.6 | -177 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | F98 M407 | F98-S405 VanDerWaalsContact O-CB 3.28Å; F98-S405 WeakPolarHBondContact O-CB 2.92Å; F98-S405 PolarHBondContact O-OG 3.13Å; S405-M407 WeakPolarHBondContact OG-CB 3.46Å; S405-M407 PolarHBondContact OG-N 2.95Å | ||
| 406 | K | 71.7 | Confident | 75.3 | Confident | 200 Ų | 200 | 94.3 Ų | 94.3 | 87% | 0.87 | 46% | 0.464 | S | S | * | . | trans | -81.8 | 5.3 | 163.9 | -65.1 | -178.9 | -178.5 | 175.3 | 0 | 111.9 | S404 V408 | S404-K406 PolarHBondContact O-N 2.61Å; S404-K406 VanDerWaalsContact O-N 3.11Å; K406-V408 PolarHBondContact O-N 3.1Å | ||
| 407 | M | 81.3 | Confident | 73.4 | Confident | 71 Ų | 71 | 98.3 Ų | 98.3 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | trans | -68.3 | 134.8 | -178.5 | -64.6 | -176 | 62.6 | 0 | 0 | 109.9 | I99 N150 P377 S405 | I99-M407 HydrophobicContact CD1-CB 4.14Å; I99-M407 HydrophobicContact CG1-CB 4.09Å; N150-M407 HydrophobicContact CB-CE 4.01Å; N150-M407 VanDerWaalsContact ND2-CE 3.25Å; N150-M407 WeakPolarHBondContact ND2-CE 3.33Å; P377-M407 VanDerWaalsContact CD-SD 3.54Å; P377-M407 HydrophobicContact CG-CE 4.03Å; P377-M407 HydrophobicContact CG-SD 3.66Å; S405-M407 WeakPolarHBondContact OG-CB 3.46Å; S405-M407 PolarHBondContact OG-N 2.95Å | ||
| 408 | V | 84.1 | Confident | 71.7 | Confident | 101 Ų | 101 | 101.9 Ų | 101.9 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | trans | -118.8 | 131.1 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 106.5 | K406 | K406-V408 PolarHBondContact O-N 3.1Š| ||
| 409 | F | 88.1 | Confident | 70.3 | Confident | 9 Ų | 9 | 96.9 Ų | 96.9 | 4% | 0.039 | 48% | 0.481 | C | S | . | . | trans | -69.9 | 133.1 | 173.6 | -177.4 | -84.4 | 0 | 0 | 0 | 109.3 | I99 I102 I114 L130 L131 N151 L167 A411 | I99-F409 HydrophobicContact CD1-CB 4.03Å; I102-F409 HydrophobicContact CD1-CB 3.67Å; I102-F409 HydrophobicContact CD1-CG 4.14Å; I102-F409 HydrophobicContact CG1-CB 3.82Å; I102-F409 HydrophobicContact CG1-CG 4.4Å; I114-F409 HydrophobicContact CG2-CZ 4.4Å; L130-F409 HydrophobicContact CD2-CD1 3.24Å; L130-F409 HydrophobicContact CD2-CE1 3.6Å; L130-F409 HydrophobicContact CD2-CG 4.2Å; L130-F409 HydrophobicContact CG-CD1 4.09Å; L130-F409 HydrophobicContact CG-CE1 4Å; L131-F409 HydrophobicContact CD2-CZ 4.33Å; N151-F409 WeakPolarHBondContact OD1-CD2 3.47Å; N151-F409 WeakPolarHBondContact OD1-CE2 3.34Å; L167-F409 HydrophobicContact CB-CE2 3.76Å; L167-F409 HydrophobicContact CB-CZ 3.96Å; L167-F409 HydrophobicContact CD1-CE2 3.77Å; L167-F409 HydrophobicContact CD1-CZ 4.27Å; L167-F409 HydrophobicContact CG-CE2 4.44Å; F409-A411 HydrophobicContact CE1-CB 4.11Å | ||
| 410 | K | 86.9 | Confident | 69.4 | Low | 167 Ų | 167 | 94.2 Ų | 94.2 | 73% | 0.726 | 47% | 0.474 | S | S | * | . | trans | -116.8 | 115.1 | 174.9 | -66.1 | -177 | -177.9 | 177.9 | 0 | 108.3 | ||||
| 411 | A | 83.2 | Confident | 69.1 | Low | 41 Ų | 41 | 93 Ų | 93 | 34% | 0.339 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 141 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L130 F409 | L130-A411 HydrophobicContact CD1-CB 3.94Å; L130-A411 HydrophobicContact CG-CB 4.03Å; F409-A411 HydrophobicContact CE1-CB 4.11Å |
| 412 | P | 84.9 | Confident | 68.9 | Low | 29 Ų | 29 | 95 Ų | 95 | 19% | 0.188 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 149.7 | 174.4 | 23.6 | -30.6 | 0 | 0 | 0 | 111.5 | L131 L167 D168 K414 | L131-P412 HydrophobicContact CD1-CG 3.96Å; L131-P412 HydrophobicContact CD2-CG 4.38Å; L167-P412 WeakPolarHBondContact O-CD 3.42Å; D168-P412 WeakPolarHBondContact O-CB 3.49Å; P412-K414 PolarHBondContact O-N 3.42Å |
| 413 | I | 72.5 | Confident | 68.4 | Low | 161 Ų | 161 | 92.2 Ų | 92.2 | 83% | 0.826 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 119.7 | 171 | -58.6 | 174.3 | 0 | 0 | 0 | 107.6 | E415 | I413-E415 PolarHBondContact O-N 3.24Š|
| 414 | K | 56.5 | Low | 68.4 | Low | 164 Ų | 164 | 89.2 Ų | 89.2 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | trans | -63.7 | 96.4 | -177 | -78.2 | 179.2 | 175.4 | 173.7 | 0 | 112.1 | P412 | P412-K414 PolarHBondContact O-N 3.42Š| ||
| 415 | E | 53 | Low | 69.1 | Low | 127 Ų | 127 | 88.1 Ų | 88.1 | 59% | 0.593 | 46% | 0.462 | S | S | * | . | trans | -97.3 | 110.6 | 156.9 | -70.4 | -171.5 | 180 | 0 | 0 | 108.7 | I413 K417 | I413-E415 PolarHBondContact O-N 3.24Å; E415-K417 PolarHBondContact O-N 2.89Å; E415-K417 VanDerWaalsContact OE2-CE 3.24Å; E415-K417 WeakPolarHBondContact OE2-CE 3.46Å; E415-K417 IonicContact OE2-NZ 2.72Å; E415-K417 PolarHBondContact OE2-NZ 2.76Å | ||
| 416 | K | 49.3 | Very low | 69.3 | Low | 179 Ų | 179 | 87.4 Ų | 87.4 | 78% | 0.778 | 46% | 0.456 | S | S | * | . | trans | -70.8 | 92.5 | 177.4 | -76.9 | -173.7 | 173.9 | -171.1 | 0 | 110 | ||||
| 417 | K | 54.9 | Low | 69.1 | Low | 132 Ų | 132 | 81 Ų | 81 | 57% | 0.574 | 43% | 0.431 | S | S | * | . | trans | -103.7 | 158.8 | 168.3 | -69.8 | 176.3 | -174.2 | 154.4 | 0 | 110.3 | E415 V419 | E415-K417 PolarHBondContact O-N 2.89Å; E415-K417 VanDerWaalsContact OE2-CE 3.24Å; E415-K417 WeakPolarHBondContact OE2-CE 3.46Å; E415-K417 IonicContact OE2-NZ 2.72Å; E415-K417 PolarHBondContact OE2-NZ 2.76Å; K417-V419 PolarHBondContact O-N 2.84Å | ||
| 418 | S | 57.8 | Low | 68 | Low | 81 Ų | 81 | 81.5 Ų | 81.5 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | trans | -66.7 | 124.6 | 172.7 | 51.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 419 | V | 61.8 | Low | 66.6 | Low | 12 Ų | 12 | 81.1 Ų | 81.1 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | trans | -98.9 | 100 | -178 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | E171 P172 K417 V421 L426 L427 | E171-V419 HydrophobicContact CB-CG1 4.28Å; E171-V419 HydrophobicContact CB-CG2 4.33Å; E171-V419 VanDerWaalsContact CD-CG2 3.47Å; E171-V419 HydrophobicContact CG-CG2 3.81Å; E171-V419 WeakPolarHBondContact OE1-CG2 3.26Å; P172-V419 HydrophobicContact CG-CG1 3.71Å; K417-V419 PolarHBondContact O-N 2.84Å; V419-V421 HydrophobicContact CG1-CG2 4.01Å; V419-L426 PolarHBondContact O-N 2.82Å; V419-L427 HydrophobicContact CB-CD1 4.39Å; V419-L427 HydrophobicContact CG2-CD1 4.02Å | ||
| 420 | V | 65.1 | Low | 65.3 | Low | 88 Ų | 88 | 81.4 Ų | 81.4 | 53% | 0.533 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 115.3 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | I424 | V420-I424 WeakPolarHBondContact CA-O 3.49Å |
| 421 | V | 71.9 | Confident | 64 | Low | 6 Ų | 6 | 76.9 Ų | 76.9 | 4% | 0.036 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.3 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | P172 M175 V419 G423 I424 L426 | P172-V421 HydrophobicContact CB-CG2 4.21Å; P172-V421 HydrophobicContact CG-CG2 4.05Å; P172-V421 WeakPolarHBondContact O-CG2 3.37Å; M175-V421 HydrophobicContact CB-CG1 3.79Å; M175-V421 HydrophobicContact CE-CB 4.44Å; V419-V421 HydrophobicContact CG1-CG2 4.01Å; V421-G423 PolarHBondContact O-N 2.71Å; V421-G423 VanDerWaalsContact O-N 3.13Å; V421-I424 PolarHBondContact N-O 2.77Å; V421-I424 PolarHBondContact O-N 2.52Å; V421-L426 HydrophobicContact CB-CD1 3.87Å; V421-L426 HydrophobicContact CG2-CD1 3.67Å |
| 422 | N | 71.4 | Confident | 63.2 | Low | 108 Ų | 108 | 77.2 Ų | 77.2 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 32 | -175.5 | -61.7 | -13.3 | 0 | 0 | 0 | 113.6 | M175 I424 | M175-N422 PolarHBondContact O-ND2 3.32Å; N422-I424 VanDerWaalsContact C-N 3.35Å |
| 423 | G | 58.2 | Low | 62.2 | Low | 69 Ų | 69 | 80.8 Ų | 80.8 | 71% | 0.711 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 4.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V421 | V421-G423 PolarHBondContact O-N 2.71Å; V421-G423 VanDerWaalsContact O-N 3.13Å |
| 424 | I | 64.7 | Low | 62 | Low | 55 Ų | 55 | 76.4 Ų | 76.4 | 28% | 0.282 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.5 | 178.1 | -57 | 173.3 | 0 | 0 | 0 | 109 | M175 V420 V421 N422 L426 | M175-I424 HydrophobicContact CE-CB 4.47Å; M175-I424 HydrophobicContact CE-CD1 4.41Å; M175-I424 HydrophobicContact SD-CD1 4.16Å; V420-I424 WeakPolarHBondContact CA-O 3.49Å; V421-I424 PolarHBondContact N-O 2.77Å; V421-I424 PolarHBondContact O-N 2.52Å; N422-I424 VanDerWaalsContact C-N 3.35Å; I424-L426 PolarHBondContact O-N 2.96Å |
| 425 | D | 71.1 | Confident | 62.7 | Low | 28 Ų | 28 | 76 Ų | 76 | 15% | 0.15 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 108.3 | 168.3 | -173.2 | -8.3 | 0 | 0 | 0 | 108.9 | L427 E428 R444 | D425-L427 VanDerWaalsContact C-N 3.27Å; D425-L427 PolarHBondContact O-N 2.96Å; D425-L427 PolarHBondContact OD1-N 2.87Å; D425-E428 HydrophobicContact CB-CB 4.09Å; D425-E428 PolarHBondContact O-N 2.86Å; D425-R444 IonicContact OD2-NH1 2.75Å; D425-R444 PolarHBondContact OD2-NH1 2.84Å |
| 426 | L | 67.9 | Low | 63.4 | Low | 7 Ų | 7 | 75.6 Ų | 75.6 | 4% | 0.037 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -22.2 | -178 | -81.3 | 176.1 | 0 | 0 | 0 | 112.7 | L163 P172 M175 V419 V421 I424 V430 | L163-L426 HydrophobicContact CD1-CD1 4.32Å; L163-L426 HydrophobicContact CD2-CD1 3.78Å; L163-L426 HydrophobicContact CD2-CD2 4.29Å; P172-L426 HydrophobicContact CB-CD1 3.85Å; P172-L426 HydrophobicContact CG-CD1 3.38Å; M175-L426 HydrophobicContact CE-CD1 3.85Å; M175-L426 HydrophobicContact CE-CD2 3.27Å; M175-L426 HydrophobicContact CE-CG 3.76Å; V419-L426 PolarHBondContact O-N 2.82Å; V421-L426 HydrophobicContact CB-CD1 3.87Å; V421-L426 HydrophobicContact CG2-CD1 3.67Å; I424-L426 PolarHBondContact O-N 2.96Å; L426-V430 WeakPolarHBondContact O-CG2 3.45Å |
| 427 | L | 66.1 | Low | 64.3 | Low | 66 Ų | 66 | 70.3 Ų | 70.3 | 35% | 0.346 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -17.5 | 179.5 | -67 | 173 | 0 | 0 | 0 | 112.6 | V419 D425 N429 | V419-L427 HydrophobicContact CB-CD1 4.39Å; V419-L427 HydrophobicContact CG2-CD1 4.02Å; D425-L427 VanDerWaalsContact C-N 3.27Å; D425-L427 PolarHBondContact O-N 2.96Å; D425-L427 PolarHBondContact OD1-N 2.87Å; L427-N429 VanDerWaalsContact C-N 3.27Å; L427-N429 PolarHBondContact O-N 3.09Å |
| 428 | E | 59.1 | Low | 65.2 | Low | 81 Ų | 81 | 68.7 Ų | 68.7 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -29.6 | 178.7 | -166.3 | 173.9 | -162.4 | 0 | 0 | 112.6 | D425 M441 | D425-E428 HydrophobicContact CB-CB 4.09Å; D425-E428 PolarHBondContact O-N 2.86Å; E428-M441 WeakPolarHBondContact O-CE 3.2Å |
| 429 | N | 54.8 | Low | 66 | Low | 93 Ų | 93 | 68.8 Ų | 68.8 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 1.7 | -176.1 | -64.8 | -60.8 | 0 | 0 | 0 | 113.9 | S137 L427 | S137-N429 WeakPolarHBondContact CB-O 3.25Å; L427-N429 VanDerWaalsContact C-N 3.27Å; L427-N429 PolarHBondContact O-N 3.09Å |
| 430 | V | 60.7 | Low | 66.4 | Low | 16 Ų | 16 | 76.9 Ų | 76.9 | 10% | 0.097 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -83.4 | 124.9 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | L426 | L426-V430 WeakPolarHBondContact O-CG2 3.45Š|
| 431 | P | 59.2 | Low | 66.5 | Low | 71 Ų | 71 | 74.7 Ų | 74.7 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 132.7 | 177.8 | -21.5 | 30.9 | 0 | 0 | 0 | 111 | R433 | P431-R433 PolarHBondContact O-N 3.12Š|
| 432 | P | 65.8 | Low | 66.7 | Low | 48 Ų | 48 | 79.5 Ų | 79.5 | 31% | 0.312 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 132.4 | 178.2 | 23 | -29.2 | 0 | 0 | 0 | 110 | E437 L438 M441 | P432-E437 HydrophobicContact CB-CB 3.89Å; P432-L438 HydrophobicContact CB-CB 3.93Å; P432-L438 HydrophobicContact CB-CD1 4.35Å; P432-L438 HydrophobicContact CG-CB 4.01Å; P432-L438 HydrophobicContact CG-CD1 3.48Å; P432-L438 VanDerWaalsContact CG-CD1 3.48Å; P432-L438 HydrophobicContact CG-CG 4.36Å; P432-M441 HydrophobicContact CB-SD 3.67Å; P432-M441 HydrophobicContact CG-SD 3.79Å |
| 433 | R | 63.7 | Low | 66.9 | Low | 104 Ų | 104 | 79.7 Ų | 79.7 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | trans | -103.1 | -17 | -174.7 | -60.4 | -173.6 | -174.5 | -165.6 | -1.5 | 113.2 | D109 T110 H134 P431 E437 | D109-R433 PolarHBondContact O-NH2 2.82Å; T110-R433 PolarHBondContact OG1-NH2 3.2Å; H134-R433 PolarHBondContact CD2-NH2 3.4Å; H134-R433 PolarHBondContact NE2-NH1 2.85Å; P431-R433 PolarHBondContact O-N 3.12Å; R433-E437 PolarHBondContact N-OE2 2.88Å | ||
| 434 | T | 68.8 | Low | 67.6 | Low | 69 Ų | 69 | 82.5 Ų | 82.5 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -121.6 | 154.1 | 174.7 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | N436 E437 L438 | T434-N436 PolarHBondContact O-N 3.02Å; T434-E437 PolarHBondContact N-OE2 3.49Å; T434-E437 WeakPolarHBondContact O-CB 3.11Å; T434-E437 PolarHBondContact O-N 2.83Å; T434-E437 WeakPolarHBondContact OG1-CB 3.25Å; T434-E437 WeakPolarHBondContact OG1-CG 3.32Å; T434-E437 PolarHBondContact OG1-N 3.45Å; T434-E437 PolarHBondContact OG1-OE2 3.06Å; T434-L438 PolarHBondContact O-N 2.79Å |
| 435 | E | 72.3 | Confident | 68.2 | Low | 155 Ų | 155 | 84.8 Ų | 84.8 | 72% | 0.724 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.2 | -38 | 175.5 | -171.1 | 173.2 | -166.3 | 0 | 0 | 111.7 | E437 L438 L439 | E435-E437 PolarHBondContact O-N 3.49Å; E435-L438 WeakPolarHBondContact O-CB 3.4Å; E435-L438 PolarHBondContact O-N 2.7Å; E435-L439 HydrophobicContact CG-CD1 3.94Å; E435-L439 VanDerWaalsContact O-CD1 3.27Å; E435-L439 WeakPolarHBondContact O-CD1 3.34Å; E435-L439 PolarHBondContact O-N 3.09Å |
| 436 | N | 66.4 | Low | 68.5 | Low | 119 Ų | 119 | 87.5 Ų | 87.5 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.6 | -38.3 | 174.1 | -80.1 | -31.8 | 0 | 0 | 0 | 113.4 | T434 R440 | T434-N436 PolarHBondContact O-N 3.02Å; N436-R440 WeakPolarHBondContact O-CG 3.38Å; N436-R440 PolarHBondContact O-N 2.97Å; N436-R440 VanDerWaalsContact O-N 3.14Å |
| 437 | E | 67.9 | Low | 68.9 | Low | 69 Ų | 69 | 91.2 Ų | 91.2 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 174.4 | -76.9 | 167.6 | 177.4 | 0 | 0 | 111.2 | P432 R433 T434 E435 R440 M441 | P432-E437 HydrophobicContact CB-CB 3.89Å; R433-E437 PolarHBondContact N-OE2 2.88Å; T434-E437 PolarHBondContact N-OE2 3.49Å; T434-E437 WeakPolarHBondContact O-CB 3.11Å; T434-E437 PolarHBondContact O-N 2.83Å; T434-E437 WeakPolarHBondContact OG1-CB 3.25Å; T434-E437 WeakPolarHBondContact OG1-CG 3.32Å; T434-E437 PolarHBondContact OG1-N 3.45Å; T434-E437 PolarHBondContact OG1-OE2 3.06Å; E435-E437 PolarHBondContact O-N 3.49Å; E437-R440 PolarHBondContact O-N 2.89Å; E437-M441 WeakPolarHBondContact O-CG 3.29Å; E437-M441 PolarHBondContact O-N 2.81Å |
| 438 | L | 75.1 | Confident | 69.3 | Low | 98 Ų | 98 | 91.4 Ų | 91.4 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 176.2 | -179.1 | 67.7 | 0 | 0 | 0 | 111.1 | P432 T434 E435 R440 M441 F442 | P432-L438 HydrophobicContact CB-CB 3.93Å; P432-L438 HydrophobicContact CB-CD1 4.35Å; P432-L438 HydrophobicContact CG-CB 4.01Å; P432-L438 HydrophobicContact CG-CD1 3.48Å; P432-L438 VanDerWaalsContact CG-CD1 3.48Å; P432-L438 HydrophobicContact CG-CG 4.36Å; T434-L438 PolarHBondContact O-N 2.79Å; E435-L438 WeakPolarHBondContact O-CB 3.4Å; E435-L438 PolarHBondContact O-N 2.7Å; L438-R440 PolarHBondContact O-N 2.91Å; L438-M441 PolarHBondContact O-N 2.8Å; L438-F442 WeakPolarHBondContact O-CB 3.21Å; L438-F442 PolarHBondContact O-N 3.45Å |
| 439 | L | 74.1 | Confident | 70.3 | Confident | 83 Ų | 83 | 91.8 Ų | 91.8 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.3 | -97 | 100.2 | 0 | 0 | 0 | 112.2 | E435 F442 F443 | E435-L439 HydrophobicContact CG-CD1 3.94Å; E435-L439 VanDerWaalsContact O-CD1 3.27Å; E435-L439 WeakPolarHBondContact O-CD1 3.34Å; E435-L439 PolarHBondContact O-N 3.09Å; L439-F442 WeakPolarHBondContact O-CB 3.45Å; L439-F442 PolarHBondContact O-N 2.93Å; L439-F443 HydrophobicContact CD2-CE2 4.01Å; L439-F443 WeakPolarHBondContact O-CD2 3.42Å; L439-F443 PolarHBondContact O-N 2.78Å |
| 440 | R | 69.6 | Low | 71.8 | Confident | 181 Ų | 181 | 93.7 Ų | 93.7 | 68% | 0.683 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 178.5 | -74.5 | 178 | -174.4 | -166.9 | 1.9 | 112.1 | N436 E437 L438 F442 F443 R444 | N436-R440 WeakPolarHBondContact O-CG 3.38Å; N436-R440 PolarHBondContact O-N 2.97Å; N436-R440 VanDerWaalsContact O-N 3.14Å; E437-R440 PolarHBondContact O-N 2.89Å; L438-R440 PolarHBondContact O-N 2.91Å; R440-F442 VanDerWaalsContact C-N 3.34Å; R440-F443 PolarHBondContact O-N 3.07Å; R440-R444 WeakPolarHBondContact O-CB 3.36Å; R440-R444 PolarHBondContact O-N 3.14Å |
| 441 | M | 68.3 | Low | 73.1 | Confident | 42 Ų | 42 | 100.3 Ų | 100.3 | 21% | 0.207 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.4 | -72.5 | -176.3 | 78.8 | 0 | 0 | 111.3 | E428 P432 E437 L438 R444 Q445 | E428-M441 WeakPolarHBondContact O-CE 3.2Å; P432-M441 HydrophobicContact CB-SD 3.67Å; P432-M441 HydrophobicContact CG-SD 3.79Å; E437-M441 WeakPolarHBondContact O-CG 3.29Å; E437-M441 PolarHBondContact O-N 2.81Å; L438-M441 PolarHBondContact O-N 2.8Å; M441-R444 PolarHBondContact O-N 2.79Å; M441-Q445 WeakPolarHBondContact O-CB 3.46Å; M441-Q445 WeakPolarHBondContact O-CG 3.23Å; M441-Q445 PolarHBondContact O-N 3.5Å |
| 442 | F | 76.6 | Confident | 74.3 | Confident | 107 Ų | 107 | 101.3 Ų | 101.3 | 47% | 0.469 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 175.7 | 176.1 | -95 | 0 | 0 | 0 | 112.2 | L438 L439 R440 Q445 Q446 | L438-F442 WeakPolarHBondContact O-CB 3.21Å; L438-F442 PolarHBondContact O-N 3.45Å; L439-F442 WeakPolarHBondContact O-CB 3.45Å; L439-F442 PolarHBondContact O-N 2.93Å; R440-F442 VanDerWaalsContact C-N 3.34Å; F442-Q445 PolarHBondContact O-N 2.97Å; F442-Q446 HydrophobicContact CE1-CG 4.25Å; F442-Q446 HydrophobicContact CZ-CG 4.32Å; F442-Q446 PolarHBondContact O-N 3.15Å |
| 443 | F | 74.8 | Confident | 75.5 | Confident | 113 Ų | 113 | 105.7 Ų | 105.7 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 177.7 | -71.4 | -58.3 | 0 | 0 | 0 | 112.5 | L439 R440 Q445 Q446 D447 | L439-F443 HydrophobicContact CD2-CE2 4.01Å; L439-F443 WeakPolarHBondContact O-CD2 3.42Å; L439-F443 PolarHBondContact O-N 2.78Å; R440-F443 PolarHBondContact O-N 3.07Å; F443-Q445 PolarHBondContact O-N 3.27Å; F443-Q446 WeakPolarHBondContact O-CB 3.33Å; F443-Q446 PolarHBondContact O-N 3.13Å; F443-D447 PolarHBondContact O-N 2.92Å |
| 444 | R | 72.3 | Confident | 76.7 | Confident | 128 Ų | 128 | 106.2 Ų | 106.2 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.1 | -170.5 | -170.9 | -66.5 | -171.6 | -1.4 | 111.6 | D425 R440 M441 Q446 D447 E448 | D425-R444 IonicContact OD2-NH1 2.75Å; D425-R444 PolarHBondContact OD2-NH1 2.84Å; R440-R444 WeakPolarHBondContact O-CB 3.36Å; R440-R444 PolarHBondContact O-N 3.14Å; M441-R444 PolarHBondContact O-N 2.79Å; R444-Q446 VanDerWaalsContact C-N 3.31Å; R444-Q446 PolarHBondContact O-N 2.91Å; R444-D447 PolarHBondContact O-N 2.83Å; R444-E448 PolarHBondContact O-N 2.86Å |
| 445 | Q | 77.7 | Confident | 77.8 | Confident | 102 Ų | 102 | 106.7 Ų | 106.7 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 175.1 | -81.4 | -175.7 | -8.5 | 0 | 0 | 111.8 | M441 F442 F443 E448 I449 | M441-Q445 WeakPolarHBondContact O-CB 3.46Å; M441-Q445 WeakPolarHBondContact O-CG 3.23Å; M441-Q445 PolarHBondContact O-N 3.5Å; F442-Q445 PolarHBondContact O-N 2.97Å; F443-Q445 PolarHBondContact O-N 3.27Å; Q445-E448 PolarHBondContact O-N 3.32Å; Q445-I449 WeakPolarHBondContact O-CB 3.44Å; Q445-I449 WeakPolarHBondContact O-CD1 3.48Å; Q445-I449 WeakPolarHBondContact O-CG1 3.47Å; Q445-I449 PolarHBondContact O-N 3.35Å |
| 446 | Q | 77.8 | Confident | 78.8 | Confident | 86 Ų | 86 | 104.5 Ų | 104.5 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 174.2 | -85.1 | -166.9 | -19.9 | 0 | 0 | 112.6 | F442 F443 R444 R450 | F442-Q446 HydrophobicContact CE1-CG 4.25Å; F442-Q446 HydrophobicContact CZ-CG 4.32Å; F442-Q446 PolarHBondContact O-N 3.15Å; F443-Q446 WeakPolarHBondContact O-CB 3.33Å; F443-Q446 PolarHBondContact O-N 3.13Å; R444-Q446 VanDerWaalsContact C-N 3.31Å; R444-Q446 PolarHBondContact O-N 2.91Å; Q446-R450 PolarHBondContact O-N 2.83Å |
| 447 | D | 75.4 | Confident | 80.1 | Confident | 84 Ų | 84 | 101.9 Ų | 101.9 | 45% | 0.449 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 178.4 | -75.1 | -23 | 0 | 0 | 0 | 111.8 | F443 R444 R450 R451 | F443-D447 PolarHBondContact O-N 2.92Å; R444-D447 PolarHBondContact O-N 2.83Å; D447-R450 WeakPolarHBondContact O-CB 3.39Å; D447-R450 PolarHBondContact O-N 2.75Å; D447-R450 IonicContact OD1-CZ 3.33Å; D447-R450 IonicContact OD1-NH1 3.68Å; D447-R450 PolarHBondContact OD1-NH1 2.89Å; D447-R450 IonicContact OD1-NH2 3.1Å; D447-R450 PolarHBondContact OD1-NH2 3.06Å; D447-R451 PolarHBondContact O-N 3.39Å |
| 448 | E | 75.1 | Confident | 81.2 | Confident | 70 Ų | 70 | 105 Ų | 105 | 33% | 0.327 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 176.5 | -172.2 | 60.9 | -166.2 | 0 | 0 | 111.7 | R444 Q445 R450 R451 L452 | R444-E448 PolarHBondContact O-N 2.86Å; Q445-E448 PolarHBondContact O-N 3.32Å; E448-R450 PolarHBondContact O-N 2.8Å; E448-R451 PolarHBondContact O-N 2.9Å; E448-R451 IonicContact OE2-NH1 3.86Å; E448-L452 HydrophobicContact CG-CD1 4.07Å; E448-L452 HydrophobicContact CG-CG 4.31Å; E448-L452 WeakPolarHBondContact O-CB 3Å; E448-L452 WeakPolarHBondContact O-CG 3.42Å; E448-L452 PolarHBondContact O-N 2.73Å |
| 449 | I | 80.9 | Confident | 82.1 | Confident | 89 Ų | 89 | 105.9 Ų | 105.9 | 46% | 0.456 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59 | -38.5 | 171.9 | -72.1 | 166.5 | 0 | 0 | 0 | 110.7 | Q445 K453 | Q445-I449 WeakPolarHBondContact O-CB 3.44Å; Q445-I449 WeakPolarHBondContact O-CD1 3.48Å; Q445-I449 WeakPolarHBondContact O-CG1 3.47Å; Q445-I449 PolarHBondContact O-N 3.35Å; I449-K453 HydrophobicContact CG2-CD 4.15Å; I449-K453 WeakPolarHBondContact O-CB 3.44Å; I449-K453 VanDerWaalsContact O-CG 3.22Å; I449-K453 WeakPolarHBondContact O-CG 3.48Å; I449-K453 PolarHBondContact O-N 3.21Å; I449-K453 VanDerWaalsContact O-N 3.08Å |
| 450 | R | 86.4 | Confident | 83.1 | Confident | 134 Ų | 134 | 105.6 Ų | 105.6 | 51% | 0.506 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 176 | -167.5 | -173.9 | -58.4 | 125.2 | 9.8 | 110.7 | Q446 D447 E448 K453 E454 | Q446-R450 PolarHBondContact O-N 2.83Å; D447-R450 WeakPolarHBondContact O-CB 3.39Å; D447-R450 PolarHBondContact O-N 2.75Å; D447-R450 IonicContact OD1-CZ 3.33Å; D447-R450 IonicContact OD1-NH1 3.68Å; D447-R450 PolarHBondContact OD1-NH1 2.89Å; D447-R450 IonicContact OD1-NH2 3.1Å; D447-R450 PolarHBondContact OD1-NH2 3.06Å; E448-R450 PolarHBondContact O-N 2.8Å; R450-K453 WeakPolarHBondContact O-CB 3.41Å; R450-K453 PolarHBondContact O-N 3.39Å; R450-E454 PolarHBondContact O-N 2.89Å |
| 451 | R | 86.8 | Confident | 84.3 | Confident | 155 Ų | 155 | 101.5 Ų | 101.5 | 59% | 0.585 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.3 | -47.2 | 178.5 | -170.7 | -173.9 | -176.3 | -154.9 | 0.5 | 112.6 | D447 E448 K453 E454 E455 | D447-R451 PolarHBondContact O-N 3.39Å; E448-R451 PolarHBondContact O-N 2.9Å; E448-R451 IonicContact OE2-NH1 3.86Å; R451-K453 VanDerWaalsContact C-N 3.29Å; R451-K453 PolarHBondContact O-N 2.86Å; R451-E454 WeakPolarHBondContact O-CB 3.28Å; R451-E454 PolarHBondContact O-N 2.77Å; R451-E454 VanDerWaalsContact O-N 3.14Å; R451-E455 PolarHBondContact O-N 2.81Å |
| 452 | L | 85.4 | Confident | 85.5 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 48% | 0.482 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 177.6 | -72.4 | 172 | 0 | 0 | 0 | 111.8 | E448 E455 L456 | E448-L452 HydrophobicContact CG-CD1 4.07Å; E448-L452 HydrophobicContact CG-CG 4.31Å; E448-L452 WeakPolarHBondContact O-CB 3Å; E448-L452 WeakPolarHBondContact O-CG 3.42Å; E448-L452 PolarHBondContact O-N 2.73Å; L452-E455 PolarHBondContact O-N 2.99Å; L452-L456 VanDerWaalsContact O-CB 3.28Å; L452-L456 WeakPolarHBondContact O-CB 3.44Å; L452-L456 PolarHBondContact O-N 2.74Å |
| 453 | K | 89.6 | Confident | 86.4 | Confident | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.609 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.2 | -39.8 | 173.4 | -77.7 | 173.9 | 178.1 | -179.5 | 0 | 112.4 | I449 R450 R451 S457 | I449-K453 HydrophobicContact CG2-CD 4.15Å; I449-K453 WeakPolarHBondContact O-CB 3.44Å; I449-K453 VanDerWaalsContact O-CG 3.22Å; I449-K453 WeakPolarHBondContact O-CG 3.48Å; I449-K453 PolarHBondContact O-N 3.21Å; I449-K453 VanDerWaalsContact O-N 3.08Å; R450-K453 WeakPolarHBondContact O-CB 3.41Å; R450-K453 PolarHBondContact O-N 3.39Å; R451-K453 VanDerWaalsContact C-N 3.29Å; R451-K453 PolarHBondContact O-N 2.86Å; K453-S457 WeakPolarHBondContact O-CB 3.38Å; K453-S457 PolarHBondContact O-N 3.01Å |
| 454 | E | 90.6 | Very high | 87.3 | Confident | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 175.3 | -72.8 | 171.1 | -171.1 | 0 | 0 | 111.5 | R450 R451 L456 S457 Q458 | R450-E454 PolarHBondContact O-N 2.89Å; R451-E454 WeakPolarHBondContact O-CB 3.28Å; R451-E454 PolarHBondContact O-N 2.77Å; R451-E454 VanDerWaalsContact O-N 3.14Å; E454-L456 PolarHBondContact O-N 2.93Å; E454-S457 WeakPolarHBondContact O-CB 3.39Å; E454-S457 PolarHBondContact O-N 2.84Å; E454-Q458 WeakPolarHBondContact O-CG 3.37Å; E454-Q458 PolarHBondContact O-N 2.87Å |
| 455 | E | 91.1 | Very high | 88.2 | Confident | 80 Ų | 80 | 105.4 Ų | 105.4 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 177.4 | -163.5 | -172.5 | 152.8 | 0 | 0 | 111.7 | R451 L452 S457 Q458 K459 | R451-E455 PolarHBondContact O-N 2.81Å; L452-E455 PolarHBondContact O-N 2.99Å; E455-S457 VanDerWaalsContact C-N 3.34Å; E455-S457 PolarHBondContact O-N 2.93Å; E455-Q458 PolarHBondContact O-N 2.91Å; E455-K459 WeakPolarHBondContact O-CG 3.06Å; E455-K459 PolarHBondContact O-N 3.34Å; E455-K459 WeakPolarHBondContact OE1-CE 3.15Å; E455-K459 IonicContact OE1-NZ 2.68Å; E455-K459 PolarHBondContact OE1-NZ 3.3Å |
| 456 | L | 92.8 | Very high | 89 | Confident | 108 Ų | 108 | 103.9 Ų | 103.9 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.3 | -45.2 | 174.9 | -167.9 | 76.4 | 0 | 0 | 0 | 111 | L452 E454 Q458 K459 D460 | L452-L456 VanDerWaalsContact O-CB 3.28Å; L452-L456 WeakPolarHBondContact O-CB 3.44Å; L452-L456 PolarHBondContact O-N 2.74Å; E454-L456 PolarHBondContact O-N 2.93Å; L456-Q458 PolarHBondContact O-N 2.91Å; L456-K459 PolarHBondContact O-N 3.2Å; L456-D460 PolarHBondContact O-N 2.76Å |
| 457 | S | 93.4 | Very high | 89.6 | Confident | 64 Ų | 64 | 105.5 Ų | 105.5 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 176.2 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | K453 E454 E455 K459 D460 I461 | K453-S457 WeakPolarHBondContact O-CB 3.38Å; K453-S457 PolarHBondContact O-N 3.01Å; E454-S457 WeakPolarHBondContact O-CB 3.39Å; E454-S457 PolarHBondContact O-N 2.84Å; E455-S457 VanDerWaalsContact C-N 3.34Å; E455-S457 PolarHBondContact O-N 2.93Å; S457-K459 PolarHBondContact O-N 3.33Å; S457-D460 PolarHBondContact O-N 3.19Å; S457-I461 WeakPolarHBondContact O-CG1 3.05Å; S457-I461 PolarHBondContact O-N 2.86Å |
| 458 | Q | 92.5 | Very high | 90.4 | Very high | 136 Ų | 136 | 106.4 Ų | 106.4 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 175.9 | -73.2 | -177.5 | 2.2 | 0 | 0 | 112.1 | E454 E455 L456 I461 R462 | E454-Q458 WeakPolarHBondContact O-CG 3.37Å; E454-Q458 PolarHBondContact O-N 2.87Å; E455-Q458 PolarHBondContact O-N 2.91Å; L456-Q458 PolarHBondContact O-N 2.91Å; Q458-I461 PolarHBondContact O-N 2.83Å; Q458-R462 PolarHBondContact O-N 3.46Å |
| 459 | K | 92.6 | Very high | 91.2 | Very high | 115 Ų | 115 | 107.9 Ų | 107.9 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 175.9 | -74.5 | 179.4 | -176.3 | 167.1 | 0 | 111.6 | E455 L456 S457 I461 R462 I463 | E455-K459 WeakPolarHBondContact O-CG 3.06Å; E455-K459 PolarHBondContact O-N 3.34Å; E455-K459 WeakPolarHBondContact OE1-CE 3.15Å; E455-K459 IonicContact OE1-NZ 2.68Å; E455-K459 PolarHBondContact OE1-NZ 3.3Å; L456-K459 PolarHBondContact O-N 3.2Å; S457-K459 PolarHBondContact O-N 3.33Å; K459-I461 PolarHBondContact O-N 3.11Å; K459-R462 PolarHBondContact O-N 3.47Å; K459-I463 VanDerWaalsContact O-CG1 3.28Å; K459-I463 WeakPolarHBondContact O-CG1 3.15Å; K459-I463 PolarHBondContact O-N 2.85Å |
| 460 | D | 95.1 | Very high | 91.6 | Very high | 78 Ų | 78 | 108.9 Ų | 108.9 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 175.8 | -78.8 | -21.7 | 0 | 0 | 0 | 112.2 | L456 S457 R462 I463 R464 | L456-D460 PolarHBondContact O-N 2.76Å; S457-D460 PolarHBondContact O-N 3.19Å; D460-R462 VanDerWaalsContact C-N 3.33Å; D460-R462 PolarHBondContact O-N 2.84Å; D460-I463 PolarHBondContact O-N 2.71Å; D460-R464 WeakPolarHBondContact O-CG 3.43Å; D460-R464 PolarHBondContact O-N 3.21Å |
| 461 | I | 95.3 | Very high | 91.8 | Very high | 94 Ų | 94 | 108.8 Ų | 108.8 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 173.7 | -67.5 | 164.8 | 0 | 0 | 0 | 110.1 | S457 Q458 K459 I463 R464 Q465 | S457-I461 WeakPolarHBondContact O-CG1 3.05Å; S457-I461 PolarHBondContact O-N 2.86Å; Q458-I461 PolarHBondContact O-N 2.83Å; K459-I461 PolarHBondContact O-N 3.11Å; I461-I463 PolarHBondContact O-N 3.32Å; I461-R464 PolarHBondContact O-N 3.09Å; I461-Q465 PolarHBondContact O-N 3.36Å |
| 462 | R | 93.2 | Very high | 91.8 | Very high | 125 Ų | 125 | 106.3 Ų | 106.3 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 179.9 | -174.2 | 59 | 178 | 161.6 | 4.6 | 112.1 | Q458 K459 D460 R464 Q465 L466 | Q458-R462 PolarHBondContact O-N 3.46Å; K459-R462 PolarHBondContact O-N 3.47Å; D460-R462 VanDerWaalsContact C-N 3.33Å; D460-R462 PolarHBondContact O-N 2.84Å; R462-R464 VanDerWaalsContact C-N 3.34Å; R462-Q465 PolarHBondContact O-N 2.79Å; R462-L466 HydrophobicContact CG-CD1 4.2Å; R462-L466 WeakPolarHBondContact O-CG 3.13Å; R462-L466 PolarHBondContact O-N 2.78Å |
| 463 | I | 95.4 | Very high | 91.7 | Very high | 84 Ų | 84 | 108.1 Ų | 108.1 | 43% | 0.431 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.4 | -71.6 | 166.1 | 0 | 0 | 0 | 110.2 | K459 D460 I461 Q465 L466 Q467 | K459-I463 VanDerWaalsContact O-CG1 3.28Å; K459-I463 WeakPolarHBondContact O-CG1 3.15Å; K459-I463 PolarHBondContact O-N 2.85Å; D460-I463 PolarHBondContact O-N 2.71Å; I461-I463 PolarHBondContact O-N 3.32Å; I463-Q465 PolarHBondContact O-N 3.46Å; I463-L466 PolarHBondContact O-N 2.82Å; I463-Q467 HydrophobicContact CG2-CG 4.42Å; I463-Q467 WeakPolarHBondContact O-CB 3.44Å; I463-Q467 VanDerWaalsContact O-CG 3.28Å; I463-Q467 WeakPolarHBondContact O-CG 3.45Å; I463-Q467 PolarHBondContact O-N 2.74Å |
| 464 | R | 93.4 | Very high | 91.2 | Very high | 169 Ų | 169 | 112 Ų | 112 | 64% | 0.638 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 176.9 | -72.6 | 179.2 | -170.2 | 179.4 | 5.1 | 112.5 | D460 I461 R462 Q467 L468 | D460-R464 WeakPolarHBondContact O-CG 3.43Å; D460-R464 PolarHBondContact O-N 3.21Å; I461-R464 PolarHBondContact O-N 3.09Å; R462-R464 VanDerWaalsContact C-N 3.34Å; R464-Q467 PolarHBondContact O-N 3.12Å; R464-L468 PolarHBondContact O-N 2.71Å |
| 465 | Q | 92.8 | Very high | 90.5 | Very high | 94 Ų | 94 | 112 Ų | 112 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 174.6 | -84.9 | -178.8 | -19.8 | 0 | 0 | 111.8 | I461 R462 I463 Q467 L468 E469 | I461-Q465 PolarHBondContact O-N 3.36Å; R462-Q465 PolarHBondContact O-N 2.79Å; I463-Q465 PolarHBondContact O-N 3.46Å; Q465-Q467 VanDerWaalsContact C-N 3.29Å; Q465-Q467 PolarHBondContact O-N 3.05Å; Q465-L468 WeakPolarHBondContact O-CB 3.24Å; Q465-L468 PolarHBondContact O-N 2.74Å; Q465-L468 VanDerWaalsContact O-N 3.11Å; Q465-E469 PolarHBondContact O-N 2.72Å |
| 466 | L | 92.6 | Very high | 89.2 | Confident | 71 Ų | 71 | 112 Ų | 112 | 37% | 0.372 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 179.1 | -71.2 | 170.1 | 0 | 0 | 0 | 112 | R462 I463 L468 E469 L470 | R462-L466 HydrophobicContact CG-CD1 4.2Å; R462-L466 WeakPolarHBondContact O-CG 3.13Å; R462-L466 PolarHBondContact O-N 2.78Å; I463-L466 PolarHBondContact O-N 2.82Å; L466-L468 VanDerWaalsContact C-N 3.35Å; L466-E469 PolarHBondContact O-N 3.45Å; L466-L470 WeakPolarHBondContact O-CB 3.38Å; L466-L470 PolarHBondContact O-N 2.77Å |
| 467 | Q | 92.3 | Very high | 87.7 | Confident | 120 Ų | 120 | 111.7 Ų | 111.7 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.5 | -39.3 | 173.9 | -75.3 | 175 | -12.2 | 0 | 0 | 112.3 | I463 R464 Q465 K471 | I463-Q467 HydrophobicContact CG2-CG 4.42Å; I463-Q467 WeakPolarHBondContact O-CB 3.44Å; I463-Q467 VanDerWaalsContact O-CG 3.28Å; I463-Q467 WeakPolarHBondContact O-CG 3.45Å; I463-Q467 PolarHBondContact O-N 2.74Å; R464-Q467 PolarHBondContact O-N 3.12Å; Q465-Q467 VanDerWaalsContact C-N 3.29Å; Q465-Q467 PolarHBondContact O-N 3.05Å; Q467-K471 WeakPolarHBondContact O-CB 3.15Å; Q467-K471 PolarHBondContact O-N 3.29Å |
| 468 | L | 92 | Very high | 86.1 | Confident | 103 Ų | 103 | 118 Ų | 118 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.2 | -45.1 | 174.5 | -82.9 | 158.9 | 0 | 0 | 0 | 111.8 | R464 Q465 L466 L470 K471 N472 | R464-L468 PolarHBondContact O-N 2.71Å; Q465-L468 WeakPolarHBondContact O-CB 3.24Å; Q465-L468 PolarHBondContact O-N 2.74Å; Q465-L468 VanDerWaalsContact O-N 3.11Å; L466-L468 VanDerWaalsContact C-N 3.35Å; L468-L470 PolarHBondContact O-N 3.02Å; L468-K471 PolarHBondContact O-N 2.83Å; L468-N472 VanDerWaalsContact O-CG 3.27Å; L468-N472 PolarHBondContact O-N 3.08Å; L468-N472 PolarHBondContact O-ND2 2.73Å |
| 469 | E | 90.5 | Very high | 84.1 | Confident | 100 Ų | 100 | 119 Ų | 119 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59 | -45.7 | 175.5 | -74.3 | 175.4 | -172.9 | 0 | 0 | 111.6 | Q465 L466 K471 N472 L473 | Q465-E469 PolarHBondContact O-N 2.72Å; L466-E469 PolarHBondContact O-N 3.45Å; E469-K471 VanDerWaalsContact C-N 3.33Å; E469-K471 PolarHBondContact O-N 2.79Å; E469-N472 PolarHBondContact O-N 2.63Å; E469-L473 WeakPolarHBondContact O-CB 3.49Å; E469-L473 PolarHBondContact O-N 3.34Å |
| 470 | L | 90.8 | Very high | 81.8 | Confident | 110 Ų | 110 | 123 Ų | 123 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.4 | -40.3 | 174.7 | -90.7 | 162.2 | 0 | 0 | 0 | 112.7 | L466 L468 R474 | L466-L470 WeakPolarHBondContact O-CB 3.38Å; L466-L470 PolarHBondContact O-N 2.77Å; L468-L470 PolarHBondContact O-N 3.02Å; L470-R474 PolarHBondContact O-N 3.13Å |
| 471 | K | 89.6 | Confident | 81.1 | Confident | 132 Ų | 132 | 125.2 Ų | 125.2 | 57% | 0.574 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.7 | -40.4 | 177.1 | -169.4 | 177.5 | -179 | -179.1 | 0 | 111.3 | Q467 L468 E469 R474 N475 | Q467-K471 WeakPolarHBondContact O-CB 3.15Å; Q467-K471 PolarHBondContact O-N 3.29Å; L468-K471 PolarHBondContact O-N 2.83Å; E469-K471 VanDerWaalsContact C-N 3.33Å; E469-K471 PolarHBondContact O-N 2.79Å; K471-R474 PolarHBondContact O-N 3.19Å; K471-N475 WeakPolarHBondContact O-CB 3.12Å; K471-N475 VanDerWaalsContact O-CG 3.31Å; K471-N475 PolarHBondContact O-N 3.11Å |
| 472 | N | 86.3 | Confident | 80.4 | Confident | 104 Ų | 104 | 126.8 Ų | 126.8 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.4 | -39.9 | 177.1 | -70.1 | -16 | 0 | 0 | 0 | 111.9 | L468 E469 N475 S476 | L468-N472 VanDerWaalsContact O-CG 3.27Å; L468-N472 PolarHBondContact O-N 3.08Å; L468-N472 PolarHBondContact O-ND2 2.73Å; E469-N472 PolarHBondContact O-N 2.63Å; N472-N475 CarbonylContact O-C 3.59Å; N472-N475 PolarHBondContact O-N 3.11Å; N472-S476 PolarHBondContact O-N 3.26Å |
| 473 | L | 83.4 | Confident | 79.7 | Confident | 129 Ų | 129 | 126.9 Ų | 126.9 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.4 | -40.2 | 172.8 | -81.7 | 159.6 | 0 | 0 | 0 | 112.2 | E469 N475 S476 | E469-L473 WeakPolarHBondContact O-CB 3.49Å; E469-L473 PolarHBondContact O-N 3.34Å; L473-N475 VanDerWaalsContact C-N 3.32Å; L473-N475 PolarHBondContact O-N 3.2Å; L473-S476 PolarHBondContact O-N 3.31Å |
| 474 | R | 80.3 | Confident | 78.8 | Confident | 221 Ų | 221 | 129.5 Ų | 129.5 | 83% | 0.834 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.8 | -31.3 | 174.7 | -87.9 | -177.8 | 172.1 | 179.5 | -1.7 | 113.7 | L470 K471 | L470-R474 PolarHBondContact O-N 3.13Å; K471-R474 PolarHBondContact O-N 3.19Å |
| 475 | N | 75.5 | Confident | 77.8 | Confident | 116 Ų | 116 | 127 Ų | 127 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -91.3 | -2.3 | -179.3 | -70.3 | -11.2 | 0 | 0 | 0 | 113.2 | K471 N472 L473 | K471-N475 WeakPolarHBondContact O-CB 3.12Å; K471-N475 VanDerWaalsContact O-CG 3.31Å; K471-N475 PolarHBondContact O-N 3.11Å; N472-N475 CarbonylContact O-C 3.59Å; N472-N475 PolarHBondContact O-N 3.11Å; L473-N475 VanDerWaalsContact C-N 3.32Å; L473-N475 PolarHBondContact O-N 3.2Å |
| 476 | S | 64.2 | Low | 76.8 | Confident | 78 Ų | 78 | 129.2 Ų | 129.2 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -73.9 | 122.9 | 174.2 | -153.7 | 0 | 0 | 0 | 0 | 108.8 | N472 L473 K478 | N472-S476 PolarHBondContact O-N 3.26Å; L473-S476 PolarHBondContact O-N 3.31Å; S476-K478 PolarHBondContact O-N 2.84Å |
| 477 | P | 60.3 | Low | 75.7 | Confident | 102 Ų | 102 | 133.4 Ų | 133.4 | 66% | 0.662 | 69% | 0.689 | S | S | * | * | trans | -61 | 129.7 | 179.3 | 23.9 | -30.2 | 0 | 0 | 0 | 108.7 | N479 | P477-N479 VanDerWaalsContact C-N 3.33Å; P477-N479 PolarHBondContact O-N 2.67Å | ||
| 478 | K | 59.7 | Low | 74.4 | Confident | 198 Ų | 198 | 134.4 Ų | 134.4 | 86% | 0.861 | 70% | 0.699 | S | S | * | * | trans | -60.8 | 100.5 | 169.2 | -73.6 | -175.9 | 177.2 | -177.8 | 0 | 107.1 | S476 C480 | S476-K478 PolarHBondContact O-N 2.84Å; K478-C480 PolarHBondContact O-N 3.38Å | ||
| 479 | N | 50.8 | Low | 73 | Confident | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 71% | 0.712 | S | S | * | * | trans | -57.7 | 113.6 | 164.8 | -80.6 | -11.8 | 0 | 0 | 0 | 106.7 | P477 | P477-N479 VanDerWaalsContact C-N 3.33Å; P477-N479 PolarHBondContact O-N 2.67Å | ||
| 480 | C | 44.5 | Very low | 71.4 | Confident | 197 Ų | 197 | 140.4 Ų | 140.4 | 100% | 1.331 | 73% | 0.734 | S | S | * | * | trans | -67 | 0 | 168.4 | -70.2 | 0 | 0 | 0 | 0 | 110.4 | K478 | K478-C480 PolarHBondContact O-N 3.38Š|
Retrieved 480 of 480 residues in 408.5 ms
(Link to these results)