| 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 | 36.7 | Very low | 39.9 | Very low | 240 Ų | 240 | 164.2 Ų | 164.2 | 100% | 1.182 | 82% | 0.824 | S | S | * | * | 0 | 91.3 | 0 | -72.2 | 177.8 | -174.4 | 0 | 0 | 108.3 | V3 | M1-V3 PolarHBondContact O-N 3.21Š| |||
| 2 | T | 32.7 | Very low | 40.5 | Very low | 146 Ų | 146 | 168.8 Ų | 168.8 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | trans | -86.2 | 106.4 | 176.4 | 20.9 | 0 | 0 | 0 | 0 | 108.2 | S4 | T2-S4 PolarHBondContact O-N 3.24Å; T2-S4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | V | 38.1 | Very low | 41.7 | Very low | 135 Ų | 135 | 172.8 Ų | 172.8 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -69.2 | 103.8 | 175.2 | 178.4 | 0 | 0 | 0 | 0 | 108 | M1 K5 | M1-V3 PolarHBondContact O-N 3.21Å; V3-K5 PolarHBondContact O-N 2.72Å; V3-K5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | S | 38 | Very low | 44 | Very low | 101 Ų | 101 | 166.6 Ų | 166.6 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -65.8 | 103.4 | 168.4 | 52.5 | 0 | 0 | 0 | 0 | 108.7 | T2 M6 | T2-S4 PolarHBondContact O-N 3.24Å; T2-S4 VanDerWaalsContact O-N 3.09Å; S4-M6 PolarHBondContact O-N 2.92Å | ||
| 5 | K | 39.6 | Very low | 46.7 | Very low | 195 Ų | 195 | 156.3 Ų | 156.3 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | -59 | 101.1 | 165.3 | -85.6 | 179.6 | 173.4 | 176.6 | 0 | 108 | V3 T7 | V3-K5 PolarHBondContact O-N 2.72Å; V3-K5 VanDerWaalsContact O-N 3.08Å; K5-T7 PolarHBondContact O-N 2.69Å | ||
| 6 | M | 39.2 | Very low | 49.4 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | trans | -62.7 | 104.4 | 161.9 | -77.5 | -173.2 | -164.8 | 0 | 0 | 107 | S4 W8 | S4-M6 PolarHBondContact O-N 2.92Å; M6-W8 VanDerWaalsContact C-N 3.31Å; M6-W8 PolarHBondContact O-N 2.53Å | ||
| 7 | T | 38.4 | Very low | 52 | Low | 114 Ų | 114 | 145.5 Ų | 145.5 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | -69.2 | 95.6 | 167.2 | 44.3 | 0 | 0 | 0 | 0 | 107.7 | K5 R9 | K5-T7 PolarHBondContact O-N 2.69Å; T7-R9 PolarHBondContact O-N 3.31Å | ||
| 8 | W | 44.2 | Very low | 54.2 | Low | 226 Ų | 226 | 142.9 Ų | 142.9 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | trans | -64.9 | 82.2 | 161 | -117.7 | 89.1 | 0 | 0 | 0 | 107.7 | M6 P10 | M6-W8 VanDerWaalsContact C-N 3.31Å; M6-W8 PolarHBondContact O-N 2.53Å; W8-P10 HydrophobicContact CE3-CG 4.46Å | ||
| 9 | R | 39.9 | Very low | 56.2 | Low | 211 Ų | 211 | 141.6 Ų | 141.6 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | trans | -91 | 110.3 | 158.4 | -67.8 | -169.7 | -177.9 | -157.8 | 1.7 | 104.6 | T7 Q11 | T7-R9 PolarHBondContact O-N 3.31Å; R9-Q11 PolarHBondContact O-N 2.69Å | ||
| 10 | P | 45.2 | Very low | 58.2 | Low | 92 Ų | 92 | 134.6 Ų | 134.6 | 60% | 0.597 | 65% | 0.646 | S | S | * | * | trans | -56.2 | 113 | 161.4 | -6.1 | 19.5 | 0 | 0 | 0 | 104.3 | W8 Y12 | W8-P10 HydrophobicContact CE3-CG 4.46Å; P10-Y12 PolarHBondContact O-N 3.07Å | ||
| 11 | Q | 46.5 | Very low | 60 | Low | 178 Ų | 178 | 132.5 Ų | 132.5 | 83% | 0.832 | 63% | 0.634 | S | S | * | * | trans | -69.5 | 89.1 | 174 | -147.1 | 156.4 | 3.5 | 0 | 0 | 103.8 | R9 R13 | R9-Q11 PolarHBondContact O-N 2.69Å; Q11-R13 PolarHBondContact O-N 3.21Å | ||
| 12 | Y | 47.8 | Very low | 62.9 | Low | 219 Ų | 219 | 121.9 Ų | 121.9 | 86% | 0.859 | 59% | 0.586 | S | S | * | * | trans | -67.1 | 77.8 | 178.6 | -151.4 | -88.6 | 0 | 0 | 0 | 105.8 | P10 S14 | P10-Y12 PolarHBondContact O-N 3.07Å; Y12-S14 VanDerWaalsContact C-N 3.28Å; Y12-S14 PolarHBondContact O-N 2.8Å | ||
| 13 | R | 56.1 | Low | 66 | Low | 222 Ų | 222 | 121 Ų | 121 | 84% | 0.838 | 57% | 0.57 | S | S | * | * | trans | -68.1 | 97.6 | 170.6 | -95.8 | -170.4 | 171.4 | -175.5 | -0 | 104.6 | Q11 S15 | Q11-R13 PolarHBondContact O-N 3.21Å; R13-S15 PolarHBondContact O-N 3.28Å | ||
| 14 | S | 73.4 | Confident | 68.8 | Low | 85 Ų | 85 | 116.4 Ų | 116.4 | 59% | 0.594 | 55% | 0.546 | S | S | * | . | trans | -59.1 | 112.5 | 164.1 | 179.8 | 0 | 0 | 0 | 0 | 106.7 | Y12 K16 | Y12-S14 VanDerWaalsContact C-N 3.28Å; Y12-S14 PolarHBondContact O-N 2.8Å; S14-K16 PolarHBondContact O-N 2.96Å | ||
| 15 | S | 84.4 | Confident | 71.5 | Confident | 13 Ų | 13 | 113 Ų | 113 | 9% | 0.091 | 52% | 0.524 | C | S | . | . | trans | -49.4 | 133.4 | 171.3 | 171.6 | 0 | 0 | 0 | 0 | 110 | R13 F17 R18 E304 | R13-S15 PolarHBondContact O-N 3.28Å; S15-F17 PolarHBondContact O-N 3.26Å; S15-F17 PolarHBondContact OG-N 3.12Å; S15-R18 WeakPolarHBondContact O-CB 3.35Å; S15-R18 PolarHBondContact O-N 3.09Å; S15-R18 PolarHBondContact OG-N 3.37Å; S15-E304 WeakPolarHBondContact CB-OE2 3.23Å; S15-E304 PolarHBondContact OG-OE2 3.04Å | ||
| 16 | K | 89.7 | Confident | 74.2 | Confident | 113 Ų | 113 | 107.8 Ų | 107.8 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.9 | 172.4 | -62.1 | -178.9 | 179.3 | -169 | 0 | 111.7 | S14 D372 | S14-K16 PolarHBondContact O-N 2.96Å; K16-D372 WeakPolarHBondContact CD-OD2 3.32Å; K16-D372 PolarHBondContact NZ-O 3.27Å; K16-D372 IonicContact NZ-OD2 2.74Å; K16-D372 PolarHBondContact NZ-OD2 3.43Å |
| 17 | F | 93.6 | Very high | 76.7 | Confident | 16 Ų | 16 | 107.4 Ų | 107.4 | 7% | 0.07 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 2.6 | -176 | -53.4 | -68.9 | 0 | 0 | 0 | 112.8 | S15 H19 V20 T287 M289 L315 V362 I373 | S15-F17 PolarHBondContact O-N 3.26Å; S15-F17 PolarHBondContact OG-N 3.12Å; F17-H19 PolarHBondContact O-N 2.94Å; F17-V20 HydrophobicContact CB-CG2 3.89Å; F17-V20 HydrophobicContact CD1-CG2 4.12Å; F17-V20 WeakPolarHBondContact O-CB 3.14Å; F17-V20 WeakPolarHBondContact O-CG2 3.44Å; F17-V20 PolarHBondContact O-N 2.92Å; F17-T287 HydrophobicContact CE1-CG2 3.86Å; F17-T287 WeakPolarHBondContact CE2-O 3.24Å; F17-T287 HydrophobicContact CZ-CG2 3.76Å; F17-M289 HydrophobicContact CB-CE 4.31Å; F17-M289 HydrophobicContact CB-CG 4.41Å; F17-M289 HydrophobicContact CB-SD 3.84Å; F17-M289 HydrophobicContact CD1-SD 3.79Å; F17-M289 HydrophobicContact CD2-CG 4.43Å; F17-M289 HydrophobicContact CG-CG 4.24Å; F17-M289 HydrophobicContact CG-SD 3.81Å; F17-L315 HydrophobicContact CB-CD1 4.02Å; F17-V362 HydrophobicContact CD1-CG2 3.81Å; F17-V362 HydrophobicContact CE1-CG2 4.09Å; F17-I373 HydrophobicContact CE1-CB 4.4Å; F17-I373 HydrophobicContact CE1-CG2 4.17Å |
| 18 | R | 91.8 | Very high | 79.2 | Confident | 99 Ų | 99 | 109.6 Ų | 109.6 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -31.8 | -179.1 | 179.8 | 57.8 | -175.5 | 85.5 | -4.7 | 114.3 | S15 | S15-R18 WeakPolarHBondContact O-CB 3.35Å; S15-R18 PolarHBondContact O-N 3.09Å; S15-R18 PolarHBondContact OG-N 3.37Å |
| 19 | H | 92.9 | Very high | 81.7 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 17.1 | -175.8 | -58.6 | -64.4 | 0 | 0 | 0 | 113 | F17 F21 P363 | F17-H19 PolarHBondContact O-N 2.94Å; H19-F21 PolarHBondContact O-N 3.08Å; H19-P363 HydrophobicContact CB-CG 3.78Å; H19-P363 WeakPolarHBondContact O-CD 3.49Å; H19-P363 VanDerWaalsContact O-CG 3.31Å; H19-P363 WeakPolarHBondContact O-CG 3.48Å |
| 20 | V | 95.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 45% | 0.449 | C | S | . | . | trans | -56.1 | 135.5 | 169.8 | 170.8 | 0 | 0 | 0 | 0 | 108.8 | F17 M289 Y302 M360 I361 V362 | F17-V20 HydrophobicContact CB-CG2 3.89Å; F17-V20 HydrophobicContact CD1-CG2 4.12Å; F17-V20 WeakPolarHBondContact O-CB 3.14Å; F17-V20 WeakPolarHBondContact O-CG2 3.44Å; F17-V20 PolarHBondContact O-N 2.92Å; V20-M289 HydrophobicContact CB-CE 4.16Å; V20-M289 HydrophobicContact CG1-CE 4.09Å; V20-M289 HydrophobicContact CG2-CE 4.07Å; V20-M289 HydrophobicContact CG2-SD 4.17Å; V20-Y302 HydrophobicContact CB-CE2 4.18Å; V20-Y302 HydrophobicContact CG1-CE2 4.17Å; V20-Y302 WeakPolarHBondContact O-CE2 3.49Å; V20-Y302 PolarHBondContact O-OH 2.49Å; V20-M360 HydrophobicContact CG1-CB 4.05Å; V20-I361 WeakPolarHBondContact CA-O 3.3Å; V20-V362 HydrophobicContact CG2-CB 4.47Å; V20-V362 HydrophobicContact CG2-CG2 3.62Å | ||
| 21 | F | 96.4 | Very high | 86.8 | Confident | 91 Ų | 91 | 88.8 Ų | 88.8 | 40% | 0.399 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.6 | 175.6 | 68.3 | -84.2 | 0 | 0 | 0 | 110.6 | H19 K23 I361 P363 | H19-F21 PolarHBondContact O-N 3.08Å; F21-K23 HydrophobicContact CE2-CB 4.25Å; F21-I361 HydrophobicContact CE1-CB 4.08Å; F21-I361 HydrophobicContact CE1-CG2 3.98Å; F21-I361 HydrophobicContact CE2-CB 4.44Å; F21-I361 HydrophobicContact CE2-CD1 4.46Å; F21-I361 HydrophobicContact CZ-CB 3.99Å; F21-I361 HydrophobicContact CZ-CD1 4.41Å; F21-I361 HydrophobicContact CZ-CG2 3.98Å; F21-I361 PolarHBondContact N-O 3.05Å; F21-I361 VanDerWaalsContact N-O 3.12Å; F21-I361 PolarHBondContact O-N 2.72Å; F21-P363 HydrophobicContact CD1-CG 4.48Å; F21-P363 HydrophobicContact CE1-CB 4.12Å; F21-P363 HydrophobicContact CE1-CG 4.48Å |
| 22 | G | 97.1 | Very high | 89.2 | Confident | 17 Ų | 17 | 82.7 Ų | 82.7 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 127 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F318 S359 M360 | G22-F318 WeakPolarHBondContact O-CD2 3.08Å; G22-S359 CarbonylContact C-O 3.52Å; G22-S359 WeakPolarHBondContact CA-O 3.49Å; G22-M360 VanDerWaalsContact CA-SD 3.57Å |
| 23 | K | 96.9 | Very high | 91.4 | Very high | 129 Ų | 129 | 73.9 Ų | 73.9 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 111.5 | 173.4 | -176.5 | -178.5 | 178.4 | -175.5 | 0 | 108.9 | F21 S359 I361 | F21-K23 HydrophobicContact CE2-CB 4.25Å; K23-S359 PolarHBondContact N-O 3.16Å; K23-S359 PolarHBondContact O-N 3.21Å; K23-I361 HydrophobicContact CB-CD1 3.97Å; K23-I361 HydrophobicContact CD-CD1 3.92Å |
| 24 | A | 96.9 | Very high | 93.3 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 141.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F318 E356 | A24-F318 HydrophobicContact CB-CE2 4.47Å; A24-F318 HydrophobicContact CB-CZ 4.16Å; A24-E356 HydrophobicContact CB-CG 4.47Å |
| 25 | A | 95.9 | Very high | 94.2 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 151.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N29 P357 | A25-N29 HydrophobicContact CB-CB 3.98Å; A25-P357 HydrophobicContact CB-CB 3.95Å; A25-P357 HydrophobicContact CB-CG 4.13Å; A25-P357 WeakPolarHBondContact CB-O 3.41Å; A25-P357 PolarHBondContact N-O 3.15Å |
| 26 | T | 95.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 61 Ų | 61 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 158.9 | 169.3 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | E28 N29 C30 | T26-E28 PolarHBondContact O-N 2.87Å; T26-E28 VanDerWaalsContact O-N 3.15Å; T26-N29 CarbonylContact O-C 3.56Å; T26-N29 WeakPolarHBondContact O-CA 3.44Å; T26-N29 PolarHBondContact O-N 3.03Å; T26-N29 PolarHBondContact OG1-ND2 3.19Å; T26-C30 PolarHBondContact O-N 3.08Å; T26-C30 PolarHBondContact O-SG 3.28Å |
| 27 | K | 91.4 | Very high | 94.9 | Very high | 160 Ų | 160 | 56 Ų | 56 | 70% | 0.696 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -55.1 | -36.8 | -177.3 | -172.6 | 179.1 | 177.8 | -175.3 | 0 | 113.2 | N29 C30 | K27-N29 PolarHBondContact O-N 3.34Å; K27-C30 WeakPolarHBondContact O-CB 3.47Å; K27-C30 PolarHBondContact O-N 2.87Å |
| 28 | E | 92.5 | Very high | 94.7 | Very high | 161 Ų | 161 | 64.1 Ų | 64.1 | 75% | 0.752 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -64.1 | -29 | 177.4 | -66.1 | 164.7 | -155.6 | 0 | 0 | 112.8 | T26 C30 | T26-E28 PolarHBondContact O-N 2.87Å; T26-E28 VanDerWaalsContact O-N 3.15Å; E28-C30 VanDerWaalsContact C-N 3.34Å |
| 29 | N | 95.1 | Very high | 94.5 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -94.6 | 11.7 | 179.2 | -69.6 | -42.9 | 0 | 0 | 0 | 112.8 | A25 T26 K27 P357 | A25-N29 HydrophobicContact CB-CB 3.98Å; T26-N29 CarbonylContact O-C 3.56Å; T26-N29 WeakPolarHBondContact O-CA 3.44Å; T26-N29 PolarHBondContact O-N 3.03Å; T26-N29 PolarHBondContact OG1-ND2 3.19Å; K27-N29 PolarHBondContact O-N 3.34Å; N29-P357 WeakPolarHBondContact O-CG 3.4Å |
| 30 | C | 96.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -103.9 | 160 | 173.9 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | T26 K27 E28 G74 L354 I355 | T26-C30 PolarHBondContact O-N 3.08Å; T26-C30 PolarHBondContact O-SG 3.28Å; K27-C30 WeakPolarHBondContact O-CB 3.47Å; K27-C30 PolarHBondContact O-N 2.87Å; E28-C30 VanDerWaalsContact C-N 3.34Å; C30-G74 VanDerWaalsContact O-CA 3.31Å; C30-G74 WeakPolarHBondContact O-CA 3.33Å; C30-G74 PolarHBondContact O-N 3.44Å; C30-L354 HydrophobicContact CB-CD1 3.52Å; C30-L354 HydrophobicContact CB-CG 4.27Å; C30-I355 WeakPolarHBondContact CA-O 3.34Å; C30-I355 WeakPolarHBondContact CB-O 3.32Å |
| 31 | F | 97.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 108.6 | 171.7 | -56.5 | -94 | 0 | 0 | 0 | 109.2 | V34 V53 L68 P73 G74 V76 Y346 L354 I355 | F31-V34 HydrophobicContact CB-CG2 3.98Å; F31-V53 HydrophobicContact CE2-CG2 3.98Å; F31-V53 HydrophobicContact CZ-CG2 4.05Å; F31-L68 HydrophobicContact CB-CD1 4.29Å; F31-L68 HydrophobicContact CD1-CB 4.2Å; F31-L68 HydrophobicContact CD1-CD1 3.71Å; F31-L68 HydrophobicContact CE1-CB 4.02Å; F31-L68 HydrophobicContact CE1-CD1 4.37Å; F31-L68 HydrophobicContact CG-CD1 4.17Å; F31-P73 HydrophobicContact CE1-CB 4.41Å; F31-P73 HydrophobicContact CZ-CB 4.24Å; F31-G74 WeakPolarHBondContact CA-O 3.3Å; F31-V76 HydrophobicContact CB-CG2 4.14Å; F31-V76 HydrophobicContact CD1-CG2 4.37Å; F31-Y346 HydrophobicContact CE2-CD1 4.44Å; F31-Y346 HydrophobicContact CE2-CE1 4.03Å; F31-L354 CarbonylContact O-C 3.52Å; F31-L354 WeakPolarHBondContact O-CA 3.35Å; F31-I355 HydrophobicContact CB-CB 4.09Å; F31-I355 HydrophobicContact CB-CD1 4.43Å; F31-I355 HydrophobicContact CB-CG1 4.47Å; F31-I355 HydrophobicContact CD2-CB 4.22Å; F31-I355 HydrophobicContact CD2-CG2 4.46Å; F31-I355 PolarHBondContact N-O 2.79Å; F31-I355 PolarHBondContact O-N 2.89Å |
| 32 | D | 96.1 | Very high | 93.3 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 148.6 | -175.1 | -166.9 | 9.5 | 0 | 0 | 0 | 111.3 | G74 V76 L354 | D32-G74 PolarHBondContact N-O 2.89Å; D32-V76 PolarHBondContact O-N 3.4Å; D32-L354 HydrophobicContact CB-CD1 4.14Å |
| 33 | G | 94.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 75.6 | 21.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S353 | G33-S353 PolarHBondContact N-O 2.86Å; G33-S353 VanDerWaalsContact N-O 3.1Å |
| 34 | V | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -77.5 | 126.8 | -179.4 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | F31 I36 I55 L66 L68 V76 S353 I355 | F31-V34 HydrophobicContact CB-CG2 3.98Å; V34-I36 HydrophobicContact CB-CG1 4.18Å; V34-I36 HydrophobicContact CG1-CG1 3.95Å; V34-I36 PolarHBondContact O-N 2.86Å; V34-I55 HydrophobicContact CG1-CG1 4.12Å; V34-I55 HydrophobicContact CG1-CG2 3.66Å; V34-L66 HydrophobicContact CG1-CD1 4.14Å; V34-L68 HydrophobicContact CG2-CD1 4.33Å; V34-V76 HydrophobicContact CG2-CB 4.38Å; V34-V76 HydrophobicContact CG2-CG2 3.81Å; V34-S353 PolarHBondContact N-O 2.92Å; V34-S353 VanDerWaalsContact O-CB 3.3Å; V34-S353 WeakPolarHBondContact O-CB 3.22Å; V34-I355 HydrophobicContact CG1-CD1 4.28Å; V34-I355 HydrophobicContact CG2-CD1 4.13Å; V34-I355 HydrophobicContact CG2-CG1 4.3Å | ||
| 35 | P | 93.8 | Very high | 92.8 | Very high | 39 Ų | 39 | 55 Ų | 55 | 25% | 0.253 | 29% | 0.289 | S | S | . | . | trans | -76.8 | 68.6 | 178.4 | 31.7 | -35 | 0 | 0 | 0 | 111.7 | T57 E58 L66 | P35-T57 HydrophobicContact CG-CG2 3.93Å; P35-T57 CarbonylContact O-C 3.5Å; P35-T57 WeakPolarHBondContact O-CA 3.34Å; P35-T57 WeakPolarHBondContact O-CB 3.48Å; P35-T57 WeakPolarHBondContact O-CG2 3.33Å; P35-E58 PolarHBondContact O-N 3.36Å; P35-L66 HydrophobicContact CG-CD1 3.98Å | ||
| 36 | I | 94.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.051 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -62.6 | 139.2 | -176.7 | -61.1 | 158.7 | 0 | 0 | 0 | 110.8 | V34 I55 V348 T350 | V34-I36 HydrophobicContact CB-CG1 4.18Å; V34-I36 HydrophobicContact CG1-CG1 3.95Å; V34-I36 PolarHBondContact O-N 2.86Å; I36-I55 HydrophobicContact CG1-CD1 4.45Å; I36-I55 HydrophobicContact CG1-CG1 4.28Å; I36-V348 HydrophobicContact CB-CG1 4.46Å; I36-V348 HydrophobicContact CD1-CG1 3.63Å; I36-V348 HydrophobicContact CG1-CG1 4.01Å; I36-V348 HydrophobicContact CG2-CG1 3.6Å; I36-T350 HydrophobicContact CB-CG2 4.34Å; I36-T350 HydrophobicContact CG2-CG2 3.74Å |
| 37 | T | 93.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | trans | -56.9 | 138 | 176.3 | -174.4 | 0 | 0 | 0 | 0 | 113.7 | S39 F45 I56 | T37-S39 VanDerWaalsContact C-N 3.26Å; T37-S39 VanDerWaalsContact OG1-CB 3.3Å; T37-S39 WeakPolarHBondContact OG1-CB 3.23Å; T37-S39 PolarHBondContact OG1-N 3.12Å; T37-S39 VanDerWaalsContact OG1-N 3.14Å; T37-F45 HydrophobicContact CG2-CB 4.38Å; T37-F45 HydrophobicContact CG2-CD1 4.22Å; T37-F45 HydrophobicContact CG2-CD2 3.97Å; T37-F45 HydrophobicContact CG2-CE1 4.46Å; T37-F45 HydrophobicContact CG2-CE2 4.22Å; T37-F45 HydrophobicContact CG2-CG 3.96Å; T37-F45 HydrophobicContact CG2-CZ 4.43Å; T37-I56 HydrophobicContact CG2-CB 4.03Å; T37-I56 HydrophobicContact CG2-CG2 3.82Å; T37-I56 PolarHBondContact N-O 3.41Å | ||
| 38 | R | 89 | Confident | 93.4 | Very high | 187 Ų | 187 | 43 Ų | 43 | 71% | 0.706 | 23% | 0.227 | S | C | * | . | trans | -85.4 | 1.2 | 171.2 | -61.2 | -176 | -162 | -165.5 | -1.2 | 113.2 | V40 E58 | R38-V40 PolarHBondContact O-N 3.17Å; R38-E58 VanDerWaalsContact CD-OE1 3.27Å; R38-E58 WeakPolarHBondContact CD-OE1 3.39Å; R38-E58 WeakPolarHBondContact CD-OE2 3.24Å; R38-E58 IonicContact CZ-OE1 3.57Å; R38-E58 IonicContact CZ-OE2 3.3Å; R38-E58 IonicContact NE-OE1 3.64Å; R38-E58 PolarHBondContact NE-OE1 3.13Å; R38-E58 IonicContact NE-OE2 2.87Å; R38-E58 PolarHBondContact NE-OE2 2.75Å; R38-E58 IonicContact NH2-OE2 2.65Å | ||
| 39 | S | 88.4 | Confident | 93.6 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | trans | -47.8 | 138.9 | -179.8 | -179 | 0 | 0 | 0 | 0 | 111.9 | T37 Q41 K325 | T37-S39 VanDerWaalsContact C-N 3.26Å; T37-S39 VanDerWaalsContact OG1-CB 3.3Å; T37-S39 WeakPolarHBondContact OG1-CB 3.23Å; T37-S39 PolarHBondContact OG1-N 3.12Å; T37-S39 VanDerWaalsContact OG1-N 3.14Å; S39-Q41 VanDerWaalsContact C-N 3.26Å; S39-Q41 PolarHBondContact OG-N 3.05Å; S39-K325 WeakPolarHBondContact O-CE 3.44Å; S39-K325 PolarHBondContact O-NZ 2.62Å | ||
| 40 | V | 85.8 | Confident | 93.7 | Very high | 121 Ų | 121 | 33 Ų | 33 | 73% | 0.733 | 18% | 0.181 | S | C | * | . | trans | -84.1 | -3.2 | 178.1 | -67.4 | 0 | 0 | 0 | 0 | 112.6 | R38 K295 | R38-V40 PolarHBondContact O-N 3.17Å; V40-K295 PolarHBondContact O-NZ 3.36Å | ||
| 41 | Q | 85.9 | Confident | 93.7 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | trans | -60.8 | 158.6 | -177.7 | -72.1 | -158.9 | 3.2 | 0 | 0 | 114.3 | S39 N43 F45 L91 K295 | S39-Q41 VanDerWaalsContact C-N 3.26Å; S39-Q41 PolarHBondContact OG-N 3.05Å; Q41-N43 PolarHBondContact O-N 3.13Å; Q41-F45 HydrophobicContact CB-CE1 4.03Å; Q41-F45 HydrophobicContact CB-CZ 4.05Å; Q41-F45 WeakPolarHBondContact O-CZ 3.46Å; Q41-L91 HydrophobicContact CG-CD2 4.42Å; Q41-L91 VanDerWaalsContact OE1-CB 3.27Å; Q41-K295 PolarHBondContact O-NZ 3.21Å | ||
| 42 | D | 88.4 | Confident | 93.8 | Very high | 79 Ų | 79 | 38.7 Ų | 38.7 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -104.6 | 45.6 | -167.5 | -77.8 | -20.4 | 0 | 0 | 0 | 111.8 | K232 L278 K295 | D42-K232 WeakPolarHBondContact O-CE 3.23Å; D42-K232 PolarHBondContact O-NZ 3.31Å; D42-L278 HydrophobicContact CB-CD2 3.43Å; D42-L278 VanDerWaalsContact CB-CD2 3.43Å; D42-K295 IonicContact OD1-NZ 3.44Å; D42-K295 PolarHBondContact OD1-NZ 2.95Å |
| 43 | N | 92.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -114.3 | 171.7 | 176.6 | -69.6 | -23.3 | 0 | 0 | 0 | 111 | Q41 F45 L91 G141 | Q41-N43 PolarHBondContact O-N 3.13Å; N43-F45 VanDerWaalsContact C-N 3.32Å; N43-F45 HydrophobicContact CB-CD1 4.13Å; N43-F45 HydrophobicContact CB-CE1 4.11Å; N43-F45 PolarHBondContact O-N 3.46Å; N43-L91 PolarHBondContact ND2-O 3.32Å; N43-G141 PolarHBondContact ND2-O 2.95Å |
| 44 | H | 93.3 | Very high | 94.1 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 17% | 0.167 | 17% | 0.172 | C | C | . | . | trans | -71 | -27.2 | -177.2 | -65.5 | -61.5 | 0 | 0 | 0 | 113.6 | C46 F280 F282 G326 M327 | H44-C46 PolarHBondContact O-N 3.35Å; H44-F280 AromaticContact CE1-CD1 3.58Å; H44-F280 AromaticContact ND1-CD1 3.9Å; H44-F282 AromaticContact CE1-CE1 3.44Å; H44-F282 VanDerWaalsContact CE1-CE1 3.44Å; H44-F282 WeakPolarHBondContact CE1-CE1 3.31Å; H44-F282 AromaticContact CE1-CZ 3.37Å; H44-F282 WeakPolarHBondContact CE1-CZ 3.36Å; H44-F282 AromaticContact ND1-CE1 3.74Å; H44-F282 AromaticContact ND1-CZ 3.49Å; H44-F282 WeakPolarHBondContact ND1-CZ 2.88Å; H44-G326 CarbonylContact O-C 3.59Å; H44-G326 VanDerWaalsContact O-CA 3.31Å; H44-G326 WeakPolarHBondContact O-CA 3.14Å; H44-M327 WeakPolarHBondContact CB-O 3.47Å; H44-M327 PolarHBondContact O-N 3.2Å; H44-M327 VanDerWaalsContact O-N 3.07Å | ||
| 45 | F | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | trans | 59.4 | -12.7 | -175.6 | -56.1 | -32.1 | 0 | 0 | 0 | 116.7 | T37 Q41 N43 I55 I56 K325 | T37-F45 HydrophobicContact CG2-CB 4.38Å; T37-F45 HydrophobicContact CG2-CD1 4.22Å; T37-F45 HydrophobicContact CG2-CD2 3.97Å; T37-F45 HydrophobicContact CG2-CE1 4.46Å; T37-F45 HydrophobicContact CG2-CE2 4.22Å; T37-F45 HydrophobicContact CG2-CG 3.96Å; T37-F45 HydrophobicContact CG2-CZ 4.43Å; Q41-F45 HydrophobicContact CB-CE1 4.03Å; Q41-F45 HydrophobicContact CB-CZ 4.05Å; Q41-F45 WeakPolarHBondContact O-CZ 3.46Å; N43-F45 VanDerWaalsContact C-N 3.32Å; N43-F45 HydrophobicContact CB-CD1 4.13Å; N43-F45 HydrophobicContact CB-CE1 4.11Å; N43-F45 PolarHBondContact O-N 3.46Å; F45-I55 WeakPolarHBondContact O-CD1 3.42Å; F45-I56 HydrophobicContact CD1-CD1 4.08Å; F45-I56 PolarHBondContact O-N 3.49Å; F45-K325 HydrophobicContact CD2-CG 4.08Å; F45-K325 HydrophobicContact CE2-CG 4.07Å | ||
| 46 | C | 97.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.034 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.8 | 179.9 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | H44 A54 I55 G328 V348 | H44-C46 PolarHBondContact O-N 3.35Å; C46-A54 CarbonylContact C-O 3.52Å; C46-A54 VanDerWaalsContact CA-O 3.27Å; C46-A54 WeakPolarHBondContact CA-O 3.31Å; C46-I55 HydrophobicContact CB-CD1 3.86Å; C46-G328 WeakPolarHBondContact O-CA 3.49Å; C46-V348 HydrophobicContact CB-CG2 3.52Å |
| 47 | A | 98.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109 | A54 I93 W95 | A47-A54 PolarHBondContact N-O 3.25Å; A47-A54 PolarHBondContact O-N 3.31Å; A47-I93 HydrophobicContact CB-CD1 4.3Å; A47-I93 HydrophobicContact CB-CG1 4.03Å; A47-I93 WeakPolarHBondContact CB-O 3.3Å; A47-W95 VanDerWaalsContact C-CD1 3.48Å; A47-W95 VanDerWaalsContact C-NE1 3.3Å; A47-W95 PolarHBondContact O-NE1 3.21Å |
| 48 | V | 98.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.2 | -174.1 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | F52 V53 V70 W95 M330 P331 Y346 | V48-F52 WeakPolarHBondContact CA-O 3.35Å; V48-V53 HydrophobicContact CG1-CG2 4.06Å; V48-V53 HydrophobicContact CG2-CB 4.4Å; V48-V53 HydrophobicContact CG2-CG1 4.09Å; V48-V53 HydrophobicContact CG2-CG2 4.2Å; V48-V70 HydrophobicContact CG1-CG2 4.33Å; V48-W95 VanDerWaalsContact C-CD1 3.43Å; V48-M330 HydrophobicContact CG1-CE 3.47Å; V48-M330 VanDerWaalsContact CG1-CE 3.47Å; V48-M330 HydrophobicContact CG1-SD 4.06Å; V48-P331 WeakPolarHBondContact O-CD 2.97Å; V48-Y346 HydrophobicContact CB-CD2 4.17Å; V48-Y346 HydrophobicContact CB-CE2 4.35Å; V48-Y346 HydrophobicContact CG1-CD2 3.98Å; V48-Y346 HydrophobicContact CG1-CE2 3.67Å; V48-Y346 HydrophobicContact CG2-CD1 4.25Å; V48-Y346 HydrophobicContact CG2-CD2 3.69Å; V48-Y346 HydrophobicContact CG2-CE2 4.25Å; V48-Y346 HydrophobicContact CG2-CG 3.7Å |
| 49 | N | 97.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | trans | -132.7 | 179.2 | 166.8 | 75.7 | 14.7 | 0 | 0 | 0 | 108.9 | R51 F52 W95 D100 M330 | N49-R51 PolarHBondContact O-N 2.85Å; N49-R51 WeakPolarHBondContact OD1-CA 3.36Å; N49-R51 PolarHBondContact OD1-N 3.11Å; N49-F52 PolarHBondContact N-O 3.44Å; N49-F52 PolarHBondContact O-N 3.16Å; N49-F52 PolarHBondContact OD1-N 2.92Å; N49-W95 HydrophobicContact CB-CB 4.25Å; N49-W95 HydrophobicContact CB-CD2 4.26Å; N49-W95 HydrophobicContact CB-CG 3.91Å; N49-W95 VanDerWaalsContact ND2-CD2 3.27Å; N49-D100 VanDerWaalsContact ND2-CA 3.34Å; N49-D100 WeakPolarHBondContact ND2-CA 3.4Å; N49-D100 PolarHBondContact ND2-O 3.39Å; N49-M330 WeakPolarHBondContact O-CE 3.39Å | ||
| 50 | P | 97.1 | Very high | 93.4 | Very high | 35 Ų | 35 | 33.6 Ų | 33.6 | 23% | 0.227 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -60.8 | -13.4 | -176.9 | -29.3 | 40.1 | 0 | 0 | 0 | 115.7 | R333 | P50-R333 HydrophobicContact CG-CB 3.92Š|
| 51 | R | 97 | Very high | 92.9 | Very high | 119 Ų | 119 | 31.7 Ų | 31.7 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -108.9 | -38.4 | -177.9 | -64.1 | -174.5 | 175.9 | -82.9 | -3.1 | 113 | N49 V70 D100 Y101 | N49-R51 PolarHBondContact O-N 2.85Å; N49-R51 WeakPolarHBondContact OD1-CA 3.36Å; N49-R51 PolarHBondContact OD1-N 3.11Å; R51-V70 PolarHBondContact O-N 2.93Å; R51-D100 HydrophobicContact CG-CB 4.37Å; R51-Y101 WeakPolarHBondContact CD-OH 3.35Å; R51-Y101 PolarHBondContact NE-OH 2.79Å; R51-Y101 PolarHBondContact NH1-OH 3.33Å |
| 52 | F | 98.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 146.9 | -165.4 | -54.8 | -67.8 | 0 | 0 | 0 | 113.5 | V48 N49 V67 L68 W95 D100 Y101 I117 | V48-F52 WeakPolarHBondContact CA-O 3.35Å; N49-F52 PolarHBondContact N-O 3.44Å; N49-F52 PolarHBondContact O-N 3.16Å; N49-F52 PolarHBondContact OD1-N 2.92Å; F52-V67 HydrophobicContact CB-CG1 3.76Å; F52-V67 HydrophobicContact CD1-CG1 3.94Å; F52-V67 HydrophobicContact CG-CG1 3.87Å; F52-L68 CarbonylContact C-O 3.6Å; F52-L68 WeakPolarHBondContact CA-O 3.15Å; F52-W95 HydrophobicContact CB-CH2 3.65Å; F52-W95 HydrophobicContact CB-CZ2 3.42Å; F52-W95 VanDerWaalsContact CB-CZ2 3.42Å; F52-W95 AromaticContact CD2-CH2 3.75Å; F52-W95 HydrophobicContact CD2-CH2 3.75Å; F52-W95 HydrophobicContact CD2-CZ2 4.36Å; F52-W95 HydrophobicContact CD2-CZ3 4.17Å; F52-W95 AromaticContact CG-CH2 3.99Å; F52-W95 HydrophobicContact CG-CH2 3.99Å; F52-W95 HydrophobicContact CG-CZ2 4.27Å; F52-D100 WeakPolarHBondContact CD2-O 3.36Å; F52-Y101 AromaticContact CE2-CD1 3.57Å; F52-Y101 HydrophobicContact CE2-CD1 3.57Å; F52-Y101 AromaticContact CE2-CE1 3.67Å; F52-Y101 HydrophobicContact CE2-CE1 3.67Å; F52-Y101 HydrophobicContact CZ-CD1 4Å; F52-Y101 AromaticContact CZ-CE1 3.84Å; F52-Y101 HydrophobicContact CZ-CE1 3.84Å; F52-I117 HydrophobicContact CD2-CG2 4.41Å; F52-I117 HydrophobicContact CE1-CG2 4.37Å; F52-I117 HydrophobicContact CE2-CG2 4.06Å; F52-I117 HydrophobicContact CZ-CG2 4.03Å |
| 53 | V | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.8 | 165.5 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | F31 V48 V67 L68 V70 Y346 I355 | F31-V53 HydrophobicContact CE2-CG2 3.98Å; F31-V53 HydrophobicContact CZ-CG2 4.05Å; V48-V53 HydrophobicContact CG1-CG2 4.06Å; V48-V53 HydrophobicContact CG2-CB 4.4Å; V48-V53 HydrophobicContact CG2-CG1 4.09Å; V48-V53 HydrophobicContact CG2-CG2 4.2Å; V53-V67 WeakPolarHBondContact O-CA 3.42Å; V53-L68 PolarHBondContact N-O 3.09Å; V53-L68 PolarHBondContact O-N 3.44Å; V53-V70 HydrophobicContact CG2-CG2 3.81Å; V53-Y346 HydrophobicContact CG1-CD1 4.28Å; V53-Y346 HydrophobicContact CG2-CD1 3.77Å; V53-Y346 HydrophobicContact CG2-CE1 3.44Å; V53-Y346 VanDerWaalsContact CG2-CE1 3.44Å; V53-I355 HydrophobicContact CG1-CD1 4.16Å |
| 54 | A | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | C46 A47 F65 L66 V67 I93 W95 I103 | C46-A54 CarbonylContact C-O 3.52Å; C46-A54 VanDerWaalsContact CA-O 3.27Å; C46-A54 WeakPolarHBondContact CA-O 3.31Å; A47-A54 PolarHBondContact N-O 3.25Å; A47-A54 PolarHBondContact O-N 3.31Å; A54-F65 HydrophobicContact CB-CD2 4.36Å; A54-L66 CarbonylContact C-O 3.59Å; A54-L66 WeakPolarHBondContact CA-O 3.41Å; A54-V67 HydrophobicContact CB-CG2 4.24Å; A54-I93 HydrophobicContact CB-CD1 3.76Å; A54-I93 WeakPolarHBondContact O-CD1 3.32Å; A54-W95 HydrophobicContact CB-CZ2 3.74Å; A54-I103 HydrophobicContact CB-CD1 3.44Å; A54-I103 VanDerWaalsContact CB-CD1 3.44Å |
| 55 | I | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 129 | -175.9 | -178.5 | 73 | 0 | 0 | 0 | 110.8 | V34 I36 F45 C46 T57 F65 L66 V348 I355 | V34-I55 HydrophobicContact CG1-CG1 4.12Å; V34-I55 HydrophobicContact CG1-CG2 3.66Å; I36-I55 HydrophobicContact CG1-CD1 4.45Å; I36-I55 HydrophobicContact CG1-CG1 4.28Å; F45-I55 WeakPolarHBondContact O-CD1 3.42Å; C46-I55 HydrophobicContact CB-CD1 3.86Å; I55-T57 PolarHBondContact O-N 2.98Å; I55-F65 CarbonylContact O-C 3.54Å; I55-F65 VanDerWaalsContact O-CA 3.24Å; I55-F65 WeakPolarHBondContact O-CA 3.32Å; I55-F65 VanDerWaalsContact O-CB 3.25Å; I55-F65 WeakPolarHBondContact O-CB 3.47Å; I55-L66 HydrophobicContact CG2-CB 3.78Å; I55-L66 HydrophobicContact CG2-CD1 4.48Å; I55-L66 PolarHBondContact N-O 2.66Å; I55-L66 PolarHBondContact O-N 3.36Å; I55-V348 HydrophobicContact CD1-CG1 3.9Å; I55-V348 HydrophobicContact CD1-CG2 3.83Å; I55-I355 HydrophobicContact CB-CD1 3.96Å; I55-I355 HydrophobicContact CD1-CD1 4.26Å; I55-I355 HydrophobicContact CG1-CD1 4.01Å; I55-I355 HydrophobicContact CG2-CD1 4.05Å |
| 56 | I | 97.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 129.6 | 176.4 | -59 | 177.1 | 0 | 0 | 0 | 109.8 | T37 F45 V90 I93 | T37-I56 HydrophobicContact CG2-CB 4.03Å; T37-I56 HydrophobicContact CG2-CG2 3.82Å; T37-I56 PolarHBondContact N-O 3.41Å; F45-I56 HydrophobicContact CD1-CD1 4.08Å; F45-I56 PolarHBondContact O-N 3.49Å; I56-V90 HydrophobicContact CD1-CB 4.49Å; I56-V90 HydrophobicContact CD1-CG1 3.9Å; I56-V90 HydrophobicContact CG1-CG1 4.02Å; I56-V90 HydrophobicContact CG2-CB 4.07Å; I56-V90 HydrophobicContact CG2-CG1 4.49Å; I56-V90 WeakPolarHBondContact CG2-O 3.46Å; I56-I93 HydrophobicContact CD1-CG1 4.24Å; I56-I93 HydrophobicContact CD1-CG2 4.32Å; I56-I93 HydrophobicContact CG1-CD1 3.84Å; I56-I93 HydrophobicContact CG1-CG1 3.94Å; I56-I93 HydrophobicContact CG1-CG2 4.02Å |
| 57 | T | 94.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 153.1 | -174.9 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | P35 I55 A64 L66 R82 | P35-T57 HydrophobicContact CG-CG2 3.93Å; P35-T57 CarbonylContact O-C 3.5Å; P35-T57 WeakPolarHBondContact O-CA 3.34Å; P35-T57 WeakPolarHBondContact O-CB 3.48Å; P35-T57 WeakPolarHBondContact O-CG2 3.33Å; I55-T57 PolarHBondContact O-N 2.98Å; T57-A64 PolarHBondContact N-O 3.07Å; T57-A64 PolarHBondContact OG1-O 3.03Å; T57-L66 HydrophobicContact CG2-CB 4.1Å; T57-L66 HydrophobicContact CG2-CD1 3.52Å; T57-L66 HydrophobicContact CG2-CG 3.53Å; T57-R82 PolarHBondContact OG1-NH1 3.23Å |
| 58 | E | 87.5 | Confident | 93.8 | Very high | 84 Ų | 84 | 25.6 Ų | 25.6 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | trans | -71.5 | 129.3 | 167.1 | -169.7 | 168.1 | -153.7 | 0 | 0 | 109.9 | P35 R38 R82 | P35-E58 PolarHBondContact O-N 3.36Å; R38-E58 VanDerWaalsContact CD-OE1 3.27Å; R38-E58 WeakPolarHBondContact CD-OE1 3.39Å; R38-E58 WeakPolarHBondContact CD-OE2 3.24Å; R38-E58 IonicContact CZ-OE1 3.57Å; R38-E58 IonicContact CZ-OE2 3.3Å; R38-E58 IonicContact NE-OE1 3.64Å; R38-E58 PolarHBondContact NE-OE1 3.13Å; R38-E58 IonicContact NE-OE2 2.87Å; R38-E58 PolarHBondContact NE-OE2 2.75Å; R38-E58 IonicContact NH2-OE2 2.65Å; E58-R82 PolarHBondContact O-NH1 3.17Å; E58-R82 VanDerWaalsContact O-NH1 3.15Å | ||
| 59 | C | 85.1 | Confident | 93.7 | Very high | 38 Ų | 38 | 27 Ų | 27 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | trans | -140.2 | 139.3 | 179.7 | -69 | 0 | 0 | 0 | 0 | 110.3 | G61 A64 R82 | C59-G61 VanDerWaalsContact C-N 3.33Å; C59-G61 PolarHBondContact O-N 2.76Å; C59-A64 WeakPolarHBondContact SG-CB 3.42Å; C59-R82 PolarHBondContact SG-NH1 3.17Å | ||
| 60 | A | 77.9 | Confident | 93.6 | Very high | 121 Ų | 121 | 28.2 Ų | 28.2 | 100% | 1 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -85.2 | 5.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 61 | G | 75.3 | Confident | 93.4 | Very high | 82 Ų | 82 | 31 Ų | 31 | 85% | 0.845 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -161.3 | 36 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | C59 | C59-G61 VanDerWaalsContact C-N 3.33Å; C59-G61 PolarHBondContact O-N 2.76Å |
| 62 | G | 89 | Confident | 93.3 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 142.8 | -162.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 63 | G | 93.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H86 G88 | G63-H86 PolarHBondContact N-O 2.95Å; G63-H86 VanDerWaalsContact N-O 3.1Å; G63-G88 WeakPolarHBondContact CA-O 3.33Å; G63-G88 PolarHBondContact N-O 3.13Å; G63-G88 VanDerWaalsContact N-O 3.07Å |
| 64 | A | 96.6 | Very high | 93 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 159.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | T57 C59 R82 V83 | T57-A64 PolarHBondContact N-O 3.07Å; T57-A64 PolarHBondContact OG1-O 3.03Å; C59-A64 WeakPolarHBondContact SG-CB 3.42Å; A64-R82 HydrophobicContact CB-CB 4.17Å; A64-V83 WeakPolarHBondContact CA-O 3.45Å; A64-V83 VanDerWaalsContact CB-O 3.28Å; A64-V83 WeakPolarHBondContact CB-O 3.24Å |
| 65 | F | 97.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 155.9 | 170.2 | 62.6 | -87.7 | 0 | 0 | 0 | 110.2 | A54 I55 V67 V83 V90 I93 I103 W115 | A54-F65 HydrophobicContact CB-CD2 4.36Å; I55-F65 CarbonylContact O-C 3.54Å; I55-F65 VanDerWaalsContact O-CA 3.24Å; I55-F65 WeakPolarHBondContact O-CA 3.32Å; I55-F65 VanDerWaalsContact O-CB 3.25Å; I55-F65 WeakPolarHBondContact O-CB 3.47Å; F65-V67 HydrophobicContact CD2-CG2 3.82Å; F65-V67 HydrophobicContact CE2-CG2 3.6Å; F65-V83 HydrophobicContact CD1-CB 4.04Å; F65-V83 HydrophobicContact CD1-CG1 4.35Å; F65-V83 HydrophobicContact CD2-CB 4.08Å; F65-V83 HydrophobicContact CD2-CG2 4.19Å; F65-V83 HydrophobicContact CE1-CB 3.62Å; F65-V83 HydrophobicContact CE1-CG1 3.51Å; F65-V83 HydrophobicContact CE1-CG2 4.45Å; F65-V83 HydrophobicContact CE2-CB 3.67Å; F65-V83 HydrophobicContact CE2-CG1 4.12Å; F65-V83 HydrophobicContact CE2-CG2 3.61Å; F65-V83 HydrophobicContact CG-CB 4.26Å; F65-V83 HydrophobicContact CZ-CB 3.43Å; F65-V83 VanDerWaalsContact CZ-CB 3.43Å; F65-V83 HydrophobicContact CZ-CG1 3.39Å; F65-V83 HydrophobicContact CZ-CG2 3.77Å; F65-V83 PolarHBondContact N-O 3.18Å; F65-V83 VanDerWaalsContact N-O 3.12Å; F65-V83 PolarHBondContact O-N 2.82Å; F65-V90 HydrophobicContact CD1-CG2 4.43Å; F65-I93 HydrophobicContact CD1-CG2 4.09Å; F65-I93 HydrophobicContact CE1-CG2 4.42Å; F65-I93 HydrophobicContact CG-CG2 4.19Å; F65-I103 HydrophobicContact CE2-CD1 3.97Å; F65-I103 HydrophobicContact CE2-CG2 4Å; F65-I103 HydrophobicContact CZ-CD1 4.49Å; F65-I103 HydrophobicContact CZ-CG2 3.91Å; F65-W115 AromaticContact CE1-NE1 3.78Å; F65-W115 AromaticContact CZ-CD1 3.75Å; F65-W115 HydrophobicContact CZ-CG 4.21Å; F65-W115 AromaticContact CZ-NE1 3.96Å |
| 66 | L | 97.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 150.8 | 173 | -74.8 | 166.1 | 0 | 0 | 0 | 109.6 | V34 P35 A54 I55 T57 H80 R82 | V34-L66 HydrophobicContact CG1-CD1 4.14Å; P35-L66 HydrophobicContact CG-CD1 3.98Å; A54-L66 CarbonylContact C-O 3.59Å; A54-L66 WeakPolarHBondContact CA-O 3.41Å; I55-L66 HydrophobicContact CG2-CB 3.78Å; I55-L66 HydrophobicContact CG2-CD1 4.48Å; I55-L66 PolarHBondContact N-O 2.66Å; I55-L66 PolarHBondContact O-N 3.36Å; T57-L66 HydrophobicContact CG2-CB 4.1Å; T57-L66 HydrophobicContact CG2-CD1 3.52Å; T57-L66 HydrophobicContact CG2-CG 3.53Å; L66-H80 HydrophobicContact CD2-CB 4.06Å; L66-R82 HydrophobicContact CD2-CG 3.71Å; L66-R82 HydrophobicContact CG-CG 4.36Å |
| 67 | V | 97.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117.6 | 169.6 | -178 | 0 | 0 | 0 | 0 | 107.5 | F52 V53 A54 F65 H80 V83 W95 I117 V122 | F52-V67 HydrophobicContact CB-CG1 3.76Å; F52-V67 HydrophobicContact CD1-CG1 3.94Å; F52-V67 HydrophobicContact CG-CG1 3.87Å; V53-V67 WeakPolarHBondContact O-CA 3.42Å; A54-V67 HydrophobicContact CB-CG2 4.24Å; F65-V67 HydrophobicContact CD2-CG2 3.82Å; F65-V67 HydrophobicContact CE2-CG2 3.6Å; V67-H80 PolarHBondContact O-NE2 2.81Å; V67-V83 HydrophobicContact CG2-CG2 4.01Å; V67-W95 HydrophobicContact CG1-CH2 3.83Å; V67-W95 HydrophobicContact CG1-CZ2 4.06Å; V67-I117 HydrophobicContact CG1-CG2 3.99Å; V67-I117 HydrophobicContact CG2-CD1 4.08Å; V67-V122 HydrophobicContact CB-CG2 3.85Å; V67-V122 HydrophobicContact CG1-CG2 4.47Å; V67-V122 HydrophobicContact CG2-CG2 4.34Å |
| 68 | L | 97.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.4 | -174.7 | -56.2 | 173.8 | 0 | 0 | 0 | 109.2 | F31 V34 F52 V53 V76 | F31-L68 HydrophobicContact CB-CD1 4.29Å; F31-L68 HydrophobicContact CD1-CB 4.2Å; F31-L68 HydrophobicContact CD1-CD1 3.71Å; F31-L68 HydrophobicContact CE1-CB 4.02Å; F31-L68 HydrophobicContact CE1-CD1 4.37Å; F31-L68 HydrophobicContact CG-CD1 4.17Å; V34-L68 HydrophobicContact CG2-CD1 4.33Å; F52-L68 CarbonylContact C-O 3.6Å; F52-L68 WeakPolarHBondContact CA-O 3.15Å; V53-L68 PolarHBondContact N-O 3.09Å; V53-L68 PolarHBondContact O-N 3.44Å; L68-V76 HydrophobicContact CD1-CG1 4.48Å; L68-V76 HydrophobicContact CD1-CG2 3.72Å; L68-V76 HydrophobicContact CD2-CG1 3.9Å; L68-V76 HydrophobicContact CD2-CG2 4.28Å |
| 69 | S | 96.1 | Very high | 92.6 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 132.7 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | S71 H72 | S69-S71 PolarHBondContact O-N 3.45Å; S69-S71 PolarHBondContact OG-N 3.39Å; S69-H72 PolarHBondContact O-N 2.82Å; S69-H72 PolarHBondContact OG-ND1 2.9Å |
| 70 | V | 95.7 | Very high | 93 | Very high | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -35.4 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | V48 R51 V53 H72 M330 | V48-V70 HydrophobicContact CG1-CG2 4.33Å; R51-V70 PolarHBondContact O-N 2.93Å; V53-V70 HydrophobicContact CG2-CG2 3.81Å; V70-H72 VanDerWaalsContact C-N 3.26Å; V70-H72 PolarHBondContact O-N 2.86Å; V70-M330 HydrophobicContact CG1-CE 4.13Å; V70-M330 HydrophobicContact CG2-CE 4.05Å |
| 71 | S | 94.1 | Very high | 93.8 | Very high | 94 Ų | 94 | 52.5 Ų | 52.5 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -7.5 | -179.8 | -47.8 | 0 | 0 | 0 | 0 | 115.1 | S69 P73 | S69-S71 PolarHBondContact O-N 3.45Å; S69-S71 PolarHBondContact OG-N 3.39Å; S71-P73 WeakPolarHBondContact O-CD 3.12Å |
| 72 | H | 93.3 | Very high | 94.7 | Very high | 144 Ų | 144 | 51.3 Ų | 51.3 | 67% | 0.667 | 28% | 0.28 | S | S | * | . | trans | -126 | 65.4 | -176.5 | -61.4 | 100.7 | 0 | 0 | 0 | 110.7 | S69 V70 | S69-H72 PolarHBondContact O-N 2.82Å; S69-H72 PolarHBondContact OG-ND1 2.9Å; V70-H72 VanDerWaalsContact C-N 3.26Å; V70-H72 PolarHBondContact O-N 2.86Å | ||
| 73 | P | 95.2 | Very high | 95.1 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | trans | -69.7 | 168.9 | 171.5 | 33.7 | -36 | 0 | 0 | 0 | 111.1 | F31 S71 | F31-P73 HydrophobicContact CE1-CB 4.41Å; F31-P73 HydrophobicContact CZ-CB 4.24Å; S71-P73 WeakPolarHBondContact O-CD 3.12Å | ||
| 74 | G | 95 | Very high | 95.1 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 126 | -158.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C30 F31 D32 V76 | C30-G74 VanDerWaalsContact O-CA 3.31Å; C30-G74 WeakPolarHBondContact O-CA 3.33Å; C30-G74 PolarHBondContact O-N 3.44Å; F31-G74 WeakPolarHBondContact CA-O 3.3Å; D32-G74 PolarHBondContact N-O 2.89Å; G74-V76 PolarHBondContact O-N 3.03Å |
| 75 | K | 95.6 | Very high | 94.9 | Very high | 183 Ų | 183 | 53.2 Ų | 53.2 | 80% | 0.796 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 121.4 | 179.6 | -173.3 | 178.1 | 179.8 | -177.6 | 0 | 110.2 | ||
| 76 | V | 94.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 134.3 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | F31 D32 V34 L68 G74 P78 H80 | F31-V76 HydrophobicContact CB-CG2 4.14Å; F31-V76 HydrophobicContact CD1-CG2 4.37Å; D32-V76 PolarHBondContact O-N 3.4Å; V34-V76 HydrophobicContact CG2-CB 4.38Å; V34-V76 HydrophobicContact CG2-CG2 3.81Å; L68-V76 HydrophobicContact CD1-CG1 4.48Å; L68-V76 HydrophobicContact CD1-CG2 3.72Å; L68-V76 HydrophobicContact CD2-CG1 3.9Å; L68-V76 HydrophobicContact CD2-CG2 4.28Å; G74-V76 PolarHBondContact O-N 3.03Å; V76-P78 WeakPolarHBondContact O-CD 3.49Å; V76-H80 HydrophobicContact CG1-CB 4.08Å |
| 77 | D | 93.4 | Very high | 94.9 | Very high | 90 Ų | 90 | 64.5 Ų | 64.5 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -63 | 126.8 | 173.9 | -174.9 | -11.1 | 0 | 0 | 0 | 109.5 | H79 H80 | D77-H79 PolarHBondContact O-N 3.44Å; D77-H79 VanDerWaalsContact O-N 3.09Å; D77-H79 IonicContact OD1-CG 3.89Å; D77-H79 PolarHBondContact OD1-N 2.77Å; D77-H79 IonicContact OD1-ND1 3.68Å; D77-H79 PolarHBondContact OD1-ND1 3.38Å; D77-H80 HydrophobicContact CB-CB 4.41Å; D77-H80 WeakPolarHBondContact O-CB 3.43Å; D77-H80 PolarHBondContact O-N 3.31Å |
| 78 | P | 91.6 | Very high | 94.8 | Very high | 93 Ų | 93 | 65.1 Ų | 65.1 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -27.6 | 172.2 | -28.3 | 36.2 | 0 | 0 | 0 | 114.4 | V76 | V76-P78 WeakPolarHBondContact O-CD 3.49Š|
| 79 | H | 91.7 | Very high | 94.7 | Very high | 161 Ų | 161 | 67.8 Ų | 67.8 | 75% | 0.745 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 10.1 | 178 | -54.2 | 91.6 | 0 | 0 | 0 | 113.4 | D77 | D77-H79 PolarHBondContact O-N 3.44Å; D77-H79 VanDerWaalsContact O-N 3.09Å; D77-H79 IonicContact OD1-CG 3.89Å; D77-H79 PolarHBondContact OD1-N 2.77Å; D77-H79 IonicContact OD1-ND1 3.68Å; D77-H79 PolarHBondContact OD1-ND1 3.38Å |
| 80 | H | 93.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | trans | -52.8 | 127.9 | 178.5 | -168.8 | 89.8 | 0 | 0 | 0 | 110.2 | L66 V67 V76 D77 | L66-H80 HydrophobicContact CD2-CB 4.06Å; V67-H80 PolarHBondContact O-NE2 2.81Å; V76-H80 HydrophobicContact CG1-CB 4.08Å; D77-H80 HydrophobicContact CB-CB 4.41Å; D77-H80 WeakPolarHBondContact O-CB 3.43Å; D77-H80 PolarHBondContact O-N 3.31Å | ||
| 81 | P | 94.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 64.8 Ų | 64.8 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | trans | -58 | 143.4 | -178.3 | -27.4 | 35.8 | 0 | 0 | 0 | 113.1 | V122 L123 | P81-V122 HydrophobicContact CB-CG1 3.89Å; P81-L123 WeakPolarHBondContact CG-O 3.49Å | ||
| 82 | R | 94.6 | Very high | 95 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 21% | 0.211 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 163.1 | -174.1 | -58.6 | -175.1 | -173.5 | -151.7 | 8.7 | 111.7 | T57 E58 C59 A64 L66 T125 L126 | T57-R82 PolarHBondContact OG1-NH1 3.23Å; E58-R82 PolarHBondContact O-NH1 3.17Å; E58-R82 VanDerWaalsContact O-NH1 3.15Å; C59-R82 PolarHBondContact SG-NH1 3.17Å; A64-R82 HydrophobicContact CB-CB 4.17Å; L66-R82 HydrophobicContact CD2-CG 3.71Å; L66-R82 HydrophobicContact CG-CG 4.36Å; R82-T125 CarbonylContact O-C 3.48Å; R82-T125 WeakPolarHBondContact O-CA 3.39Å; R82-T125 VanDerWaalsContact O-CG2 3.28Å; R82-T125 WeakPolarHBondContact O-CG2 3.36Å; R82-L126 PolarHBondContact O-N 2.96Å |
| 83 | V | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 107.5 | 159.8 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | A64 F65 V67 W115 I117 V122 L126 | A64-V83 WeakPolarHBondContact CA-O 3.45Å; A64-V83 VanDerWaalsContact CB-O 3.28Å; A64-V83 WeakPolarHBondContact CB-O 3.24Å; F65-V83 HydrophobicContact CD1-CB 4.04Å; F65-V83 HydrophobicContact CD1-CG1 4.35Å; F65-V83 HydrophobicContact CD2-CB 4.08Å; F65-V83 HydrophobicContact CD2-CG2 4.19Å; F65-V83 HydrophobicContact CE1-CB 3.62Å; F65-V83 HydrophobicContact CE1-CG1 3.51Å; F65-V83 HydrophobicContact CE1-CG2 4.45Å; F65-V83 HydrophobicContact CE2-CB 3.67Å; F65-V83 HydrophobicContact CE2-CG1 4.12Å; F65-V83 HydrophobicContact CE2-CG2 3.61Å; F65-V83 HydrophobicContact CG-CB 4.26Å; F65-V83 HydrophobicContact CZ-CB 3.43Å; F65-V83 VanDerWaalsContact CZ-CB 3.43Å; F65-V83 HydrophobicContact CZ-CG1 3.39Å; F65-V83 HydrophobicContact CZ-CG2 3.77Å; F65-V83 PolarHBondContact N-O 3.18Å; F65-V83 VanDerWaalsContact N-O 3.12Å; F65-V83 PolarHBondContact O-N 2.82Å; V67-V83 HydrophobicContact CG2-CG2 4.01Å; V83-W115 HydrophobicContact CG1-CB 4.49Å; V83-W115 HydrophobicContact CG1-CD2 3.32Å; V83-W115 HydrophobicContact CG1-CE3 3.42Å; V83-W115 VanDerWaalsContact CG1-CE3 3.42Å; V83-W115 HydrophobicContact CG1-CG 3.81Å; V83-W115 HydrophobicContact CG1-CH2 4.06Å; V83-W115 HydrophobicContact CG1-CZ2 3.96Å; V83-W115 HydrophobicContact CG1-CZ3 3.8Å; V83-I117 HydrophobicContact CG2-CD1 4.12Å; V83-V122 HydrophobicContact CG2-CG2 4.33Å; V83-L126 CarbonylContact C-O 3.57Å; V83-L126 HydrophobicContact CG1-CB 4.29Å; V83-L126 HydrophobicContact CG2-CB 4.41Å; V83-L126 HydrophobicContact CG2-CD1 4.21Å |
| 84 | S | 94.1 | Very high | 95.5 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 90.8 | -172.5 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | T125 L126 T127 | S84-T125 WeakPolarHBondContact OG-CG2 3.49Å; S84-L126 CarbonylContact C-O 3.58Å; S84-L126 PolarHBondContact N-O 3.29Å; S84-T127 VanDerWaalsContact O-CA 3.31Å; S84-T127 WeakPolarHBondContact O-CA 3.44Å; S84-T127 WeakPolarHBondContact O-CG2 3.47Å |
| 85 | G | 93.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 53.4 Ų | 53.4 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 9.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K113 T127 | G85-K113 WeakPolarHBondContact O-CE 3.36Å; G85-K113 PolarHBondContact O-NZ 2.9Å; G85-T127 WeakPolarHBondContact CA-O 3.27Å |
| 86 | H | 97.5 | Very high | 95.8 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 142.5 | 171.2 | -81.3 | -69 | 0 | 0 | 0 | 111.1 | G63 V90 S105 S107 D109 T111 | G63-H86 PolarHBondContact N-O 2.95Å; G63-H86 VanDerWaalsContact N-O 3.1Å; H86-V90 HydrophobicContact CB-CG2 4.29Å; H86-S105 PolarHBondContact CD2-OG 3.14Å; H86-S105 PolarHBondContact NE2-OG 3.48Å; H86-S107 VanDerWaalsContact CE1-CB 3.49Å; H86-S107 WeakPolarHBondContact CE1-CB 3.36Å; H86-S107 WeakPolarHBondContact ND1-CB 3.27Å; H86-D109 WeakPolarHBondContact CA-OD2 3.38Å; H86-D109 WeakPolarHBondContact CB-OD2 3.3Å; H86-D109 IonicContact CE1-OD1 3.07Å; H86-D109 IonicContact CG-OD2 3.53Å; H86-D109 IonicContact ND1-OD1 2.82Å; H86-D109 PolarHBondContact ND1-OD1 2.84Å; H86-D109 IonicContact ND1-OD2 3.03Å; H86-D109 PolarHBondContact ND1-OD2 3.02Å; H86-T111 PolarHBondContact CE1-OG1 3.11Å; H86-T111 PolarHBondContact ND1-OG1 3.49Å |
| 87 | R | 96.1 | Very high | 95.9 | Very high | 229 Ų | 229 | 46.4 Ų | 46.4 | 86% | 0.864 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -87.8 | -12.8 | 179.2 | -60.7 | -178.6 | -178.3 | -173 | 0.9 | 113.1 | D109 | R87-D109 HydrophobicContact CB-CB 3.93Å; R87-D109 PolarHBondContact N-OD2 2.98Å |
| 88 | G | 95.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -132.9 | 172.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G63 V90 S107 | G63-G88 WeakPolarHBondContact CA-O 3.33Å; G63-G88 PolarHBondContact N-O 3.13Å; G63-G88 VanDerWaalsContact N-O 3.07Å; G88-V90 PolarHBondContact O-N 3.01Å; G88-S107 PolarHBondContact O-OG 3.47Å |
| 89 | N | 95.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | trans | -55.1 | 138 | -176.9 | -66.1 | -49.8 | 0 | 0 | 0 | 111.8 | L91 S107 E108 | N89-L91 HydrophobicContact CB-CD2 4.23Å; N89-S107 VanDerWaalsContact O-CA 3.24Å; N89-S107 WeakPolarHBondContact O-CA 3.11Å; N89-S107 WeakPolarHBondContact O-CB 3.17Å; N89-S107 PolarHBondContact O-OG 2.86Å; N89-S107 VanDerWaalsContact O-OG 3.05Å; N89-E108 HydrophobicContact CB-CG 4.18Å; N89-E108 WeakPolarHBondContact CB-OE2 3.33Å; N89-E108 PolarHBondContact ND2-OE2 3.25Å; N89-E108 PolarHBondContact O-N 3.21Å | ||
| 90 | V | 97.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 132.5 | 169.8 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | I56 F65 H86 G88 I93 C106 | I56-V90 HydrophobicContact CD1-CB 4.49Å; I56-V90 HydrophobicContact CD1-CG1 3.9Å; I56-V90 HydrophobicContact CG1-CG1 4.02Å; I56-V90 HydrophobicContact CG2-CB 4.07Å; I56-V90 HydrophobicContact CG2-CG1 4.49Å; I56-V90 WeakPolarHBondContact CG2-O 3.46Å; F65-V90 HydrophobicContact CD1-CG2 4.43Å; H86-V90 HydrophobicContact CB-CG2 4.29Å; G88-V90 PolarHBondContact O-N 3.01Å; V90-I93 HydrophobicContact CG1-CG2 3.69Å; V90-C106 CarbonylContact C-O 3.55Å; V90-C106 WeakPolarHBondContact CA-O 3.17Å |
| 91 | L | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -36.9 | -171.5 | -63.5 | -168.7 | 0 | 0 | 0 | 112.2 | Q41 N43 N89 C106 E108 R139 V140 | Q41-L91 HydrophobicContact CG-CD2 4.42Å; Q41-L91 VanDerWaalsContact OE1-CB 3.27Å; N43-L91 PolarHBondContact ND2-O 3.32Å; N89-L91 HydrophobicContact CB-CD2 4.23Å; L91-C106 PolarHBondContact N-O 2.64Å; L91-E108 HydrophobicContact CD1-CG 3.78Å; L91-E108 HydrophobicContact CD2-CG 3.71Å; L91-E108 HydrophobicContact CG-CG 3.96Å; L91-R139 HydrophobicContact CD1-CB 4.13Å; L91-R139 HydrophobicContact CD1-CG 4.3Å; L91-V140 VanDerWaalsContact CD1-O 3.24Å; L91-V140 WeakPolarHBondContact CD1-O 3.48Å |
| 92 | D | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 155 | 175.6 | -159.5 | 17.4 | 0 | 0 | 0 | 111 | S105 C106 I143 | D92-S105 WeakPolarHBondContact O-CA 3.49Å; D92-C106 WeakPolarHBondContact CB-SG 3.4Å; D92-C106 PolarHBondContact N-SG 3.26Å; D92-C106 PolarHBondContact O-N 3.28Å; D92-I143 HydrophobicContact CB-CG1 4.18Å; D92-I143 PolarHBondContact OD2-N 3.21Å |
| 93 | I | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 136.9 | 178.2 | 53.4 | 173.2 | 0 | 0 | 0 | 109.9 | A47 A54 I56 F65 V90 I103 A104 | A47-I93 HydrophobicContact CB-CD1 4.3Å; A47-I93 HydrophobicContact CB-CG1 4.03Å; A47-I93 WeakPolarHBondContact CB-O 3.3Å; A54-I93 HydrophobicContact CB-CD1 3.76Å; A54-I93 WeakPolarHBondContact O-CD1 3.32Å; I56-I93 HydrophobicContact CD1-CG1 4.24Å; I56-I93 HydrophobicContact CD1-CG2 4.32Å; I56-I93 HydrophobicContact CG1-CD1 3.84Å; I56-I93 HydrophobicContact CG1-CG1 3.94Å; I56-I93 HydrophobicContact CG1-CG2 4.02Å; F65-I93 HydrophobicContact CD1-CG2 4.09Å; F65-I93 HydrophobicContact CE1-CG2 4.42Å; F65-I93 HydrophobicContact CG-CG2 4.19Å; V90-I93 HydrophobicContact CG1-CG2 3.69Å; I93-I103 HydrophobicContact CB-CD1 4.2Å; I93-A104 CarbonylContact C-O 3.56Å; I93-A104 VanDerWaalsContact CA-O 3.27Å; I93-A104 WeakPolarHBondContact CA-O 3.48Å |
| 94 | K | 98.6 | Very high | 97.3 | Very high | 36 Ų | 36 | 31.9 Ų | 31.9 | 16% | 0.157 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 129.1 | 180 | -65 | -67.1 | -174.9 | 120.5 | 0 | 111.5 | I103 A104 I143 E144 W145 | K94-I103 WeakPolarHBondContact O-CG1 3.18Å; K94-A104 PolarHBondContact N-O 3.07Å; K94-A104 PolarHBondContact O-N 3.03Å; K94-I143 HydrophobicContact CB-CD1 4.25Å; K94-I143 HydrophobicContact CB-CG1 4.42Å; K94-I143 HydrophobicContact CG-CD1 4.28Å; K94-I143 HydrophobicContact CG-CG1 3.97Å; K94-I143 WeakPolarHBondContact CG-O 3.23Å; K94-E144 IonicContact NZ-OE1 3.64Å; K94-E144 PolarHBondContact NZ-OE1 2.83Å; K94-E144 IonicContact NZ-OE2 3.19Å; K94-E144 PolarHBondContact NZ-OE2 2.81Å; K94-W145 PolarHBondContact O-NE1 2.81Å |
| 95 | W | 98.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 30 Ų | 30 | 9% | 0.087 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 141.9 | 171.3 | -68.1 | 106.3 | 0 | 0 | 0 | 110.7 | A47 V48 N49 F52 A54 V67 I103 I117 W145 | A47-W95 VanDerWaalsContact C-CD1 3.48Å; A47-W95 VanDerWaalsContact C-NE1 3.3Å; A47-W95 PolarHBondContact O-NE1 3.21Å; V48-W95 VanDerWaalsContact C-CD1 3.43Å; N49-W95 HydrophobicContact CB-CB 4.25Å; N49-W95 HydrophobicContact CB-CD2 4.26Å; N49-W95 HydrophobicContact CB-CG 3.91Å; N49-W95 VanDerWaalsContact ND2-CD2 3.27Å; F52-W95 HydrophobicContact CB-CH2 3.65Å; F52-W95 HydrophobicContact CB-CZ2 3.42Å; F52-W95 VanDerWaalsContact CB-CZ2 3.42Å; F52-W95 AromaticContact CD2-CH2 3.75Å; F52-W95 HydrophobicContact CD2-CH2 3.75Å; F52-W95 HydrophobicContact CD2-CZ2 4.36Å; F52-W95 HydrophobicContact CD2-CZ3 4.17Å; F52-W95 AromaticContact CG-CH2 3.99Å; F52-W95 HydrophobicContact CG-CH2 3.99Å; F52-W95 HydrophobicContact CG-CZ2 4.27Å; A54-W95 HydrophobicContact CB-CZ2 3.74Å; V67-W95 HydrophobicContact CG1-CH2 3.83Å; V67-W95 HydrophobicContact CG1-CZ2 4.06Å; W95-I103 HydrophobicContact CD2-CB 4.08Å; W95-I103 HydrophobicContact CD2-CD1 4Å; W95-I103 HydrophobicContact CD2-CG1 4.11Å; W95-I103 HydrophobicContact CE3-CB 3.62Å; W95-I103 HydrophobicContact CE3-CD1 4.35Å; W95-I103 HydrophobicContact CE3-CG1 4.18Å; W95-I103 HydrophobicContact CH2-CB 4.26Å; W95-I103 HydrophobicContact CH2-CD1 4.27Å; W95-I103 HydrophobicContact CH2-CG2 4.5Å; W95-I103 HydrophobicContact CZ2-CD1 3.92Å; W95-I103 HydrophobicContact CZ3-CB 3.73Å; W95-I103 HydrophobicContact CZ3-CD1 4.48Å; W95-I103 HydrophobicContact CZ3-CG2 4.22Å; W95-I117 HydrophobicContact CH2-CG1 3.87Å; W95-I117 HydrophobicContact CZ3-CG1 3.85Å; W95-W145 PolarHBondContact O-NE1 2.94Å |
| 96 | N | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | trans | -64.8 | 128.3 | 168.9 | -179.2 | -34.5 | 0 | 0 | 0 | 108.6 | F98 N99 C102 W145 | N96-F98 PolarHBondContact O-N 2.9Å; N96-F98 PolarHBondContact OD1-N 2.84Å; N96-N99 HydrophobicContact CB-CB 4.45Å; N96-N99 PolarHBondContact O-N 2.8Å; N96-N99 PolarHBondContact OD1-N 2.94Å; N96-C102 HydrophobicContact CB-CB 3.79Å; N96-C102 WeakPolarHBondContact CB-O 3.43Å; N96-C102 PolarHBondContact N-O 2.96Å; N96-W145 HydrophobicContact CB-CD2 4.14Å; N96-W145 HydrophobicContact CB-CE3 4.38Å; N96-W145 HydrophobicContact CB-CH2 4.1Å; N96-W145 HydrophobicContact CB-CZ2 3.84Å; N96-W145 HydrophobicContact CB-CZ3 4.36Å | ||
| 97 | P | 97.3 | Very high | 97.8 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 29% | 0.292 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -64.4 | -21.1 | -177.2 | 25.1 | -33.8 | 0 | 0 | 0 | 113.5 | W145 | P97-W145 HydrophobicContact CG-CB 4.15Š|
| 98 | F | 98 | Very high | 97.9 | Very high | 27 Ų | 27 | 20.5 Ų | 20.5 | 12% | 0.118 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -106.2 | -15.5 | -174.6 | -46.1 | -58.1 | 0 | 0 | 0 | 114.4 | N96 P147 A149 N380 P382 | N96-F98 PolarHBondContact O-N 2.9Å; N96-F98 PolarHBondContact OD1-N 2.84Å; F98-P147 VanDerWaalsContact CZ-O 3.27Å; F98-P147 WeakPolarHBondContact CZ-O 3.3Å; F98-A149 WeakPolarHBondContact CE2-O 3.35Å; F98-N380 CarbonylContact C-O 3.51Å; F98-N380 WeakPolarHBondContact CA-O 3.22Å; F98-N380 WeakPolarHBondContact CB-O 3.39Å; F98-P382 HydrophobicContact CD1-CB 4.01Å; F98-P382 HydrophobicContact CD2-CB 3.92Å; F98-P382 HydrophobicContact CE1-CB 4.1Å; F98-P382 HydrophobicContact CE2-CB 4.01Å; F98-P382 HydrophobicContact CG-CB 3.9Å; F98-P382 HydrophobicContact CG-CG 4.34Å; F98-P382 HydrophobicContact CZ-CB 4.09Å |
| 99 | N | 97.6 | Very high | 98 | Very high | 66 Ų | 66 | 21.1 Ų | 21.1 | 35% | 0.353 | 11% | 0.106 | S | C | . | . | trans | -133.6 | 105 | 178.9 | -176.9 | -7.3 | 0 | 0 | 0 | 110.5 | N96 Y101 C102 | N96-N99 HydrophobicContact CB-CB 4.45Å; N96-N99 PolarHBondContact O-N 2.8Å; N96-N99 PolarHBondContact OD1-N 2.94Å; N99-Y101 PolarHBondContact O-N 2.91Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.3Å; N99-Y101 PolarHBondContact OD1-N 2.91Å; N99-C102 HydrophobicContact CB-CB 3.89Å; N99-C102 PolarHBondContact O-N 2.86Å | ||
| 100 | D | 97.7 | Very high | 98.1 | Very high | 18 Ų | 18 | 20.3 Ų | 20.3 | 10% | 0.096 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -7.5 | -178.8 | -67.8 | -26.9 | 0 | 0 | 0 | 113.6 | N49 R51 F52 R333 | N49-D100 VanDerWaalsContact ND2-CA 3.34Å; N49-D100 WeakPolarHBondContact ND2-CA 3.4Å; N49-D100 PolarHBondContact ND2-O 3.39Å; R51-D100 HydrophobicContact CG-CB 4.37Å; F52-D100 WeakPolarHBondContact CD2-O 3.36Å; D100-R333 IonicContact OD1-CZ 3.15Å; D100-R333 IonicContact OD1-NH1 3.21Å; D100-R333 PolarHBondContact OD1-NH1 2.78Å; D100-R333 IonicContact OD1-NH2 3.48Å; D100-R333 PolarHBondContact OD1-NH2 3.46Å; D100-R333 IonicContact OD2-CZ 2.82Å; D100-R333 IonicContact OD2-NH1 3.27Å; D100-R333 PolarHBondContact OD2-NH1 3.07Å; D100-R333 IonicContact OD2-NH2 3.43Å |
| 101 | Y | 98.1 | Very high | 98.1 | Very high | 54 Ų | 54 | 20.7 Ų | 20.7 | 21% | 0.212 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 1.1 | 174.8 | -59.4 | -70.6 | 0 | 0 | 0 | 113 | R51 F52 N99 E116 I117 P119 | R51-Y101 WeakPolarHBondContact CD-OH 3.35Å; R51-Y101 PolarHBondContact NE-OH 2.79Å; R51-Y101 PolarHBondContact NH1-OH 3.33Å; F52-Y101 AromaticContact CE2-CD1 3.57Å; F52-Y101 HydrophobicContact CE2-CD1 3.57Å; F52-Y101 AromaticContact CE2-CE1 3.67Å; F52-Y101 HydrophobicContact CE2-CE1 3.67Å; F52-Y101 HydrophobicContact CZ-CD1 4Å; F52-Y101 AromaticContact CZ-CE1 3.84Å; F52-Y101 HydrophobicContact CZ-CE1 3.84Å; N99-Y101 PolarHBondContact O-N 2.91Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.3Å; N99-Y101 PolarHBondContact OD1-N 2.91Å; Y101-E116 CarbonylContact O-C 3.54Å; Y101-E116 WeakPolarHBondContact O-CA 3.3Å; Y101-I117 WeakPolarHBondContact CB-O 3.42Å; Y101-I117 WeakPolarHBondContact CD1-O 3.32Å; Y101-I117 PolarHBondContact O-N 3.4Å; Y101-P119 VanDerWaalsContact CE1-CA 3.47Å; Y101-P119 HydrophobicContact CE1-CB 3.99Å; Y101-P119 HydrophobicContact CE1-CG 4.3Å |
| 102 | C | 98.4 | Very high | 98.2 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 5% | 0.054 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.2 | -178.2 | 178 | 0 | 0 | 0 | 0 | 110.8 | N96 N99 V114 W115 | N96-C102 HydrophobicContact CB-CB 3.79Å; N96-C102 WeakPolarHBondContact CB-O 3.43Å; N96-C102 PolarHBondContact N-O 2.96Å; N99-C102 HydrophobicContact CB-CB 3.89Å; N99-C102 PolarHBondContact O-N 2.86Å; C102-V114 WeakPolarHBondContact SG-CG1 3.44Å; C102-W115 WeakPolarHBondContact CA-O 3.41Å |
| 103 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.7 | 176.6 | -168 | 172.4 | 0 | 0 | 0 | 110.6 | A54 F65 I93 K94 W95 V114 W115 I117 | A54-I103 HydrophobicContact CB-CD1 3.44Å; A54-I103 VanDerWaalsContact CB-CD1 3.44Å; F65-I103 HydrophobicContact CE2-CD1 3.97Å; F65-I103 HydrophobicContact CE2-CG2 4Å; F65-I103 HydrophobicContact CZ-CD1 4.49Å; F65-I103 HydrophobicContact CZ-CG2 3.91Å; I93-I103 HydrophobicContact CB-CD1 4.2Å; K94-I103 WeakPolarHBondContact O-CG1 3.18Å; W95-I103 HydrophobicContact CD2-CB 4.08Å; W95-I103 HydrophobicContact CD2-CD1 4Å; W95-I103 HydrophobicContact CD2-CG1 4.11Å; W95-I103 HydrophobicContact CE3-CB 3.62Å; W95-I103 HydrophobicContact CE3-CD1 4.35Å; W95-I103 HydrophobicContact CE3-CG1 4.18Å; W95-I103 HydrophobicContact CH2-CB 4.26Å; W95-I103 HydrophobicContact CH2-CD1 4.27Å; W95-I103 HydrophobicContact CH2-CG2 4.5Å; W95-I103 HydrophobicContact CZ2-CD1 3.92Å; W95-I103 HydrophobicContact CZ3-CB 3.73Å; W95-I103 HydrophobicContact CZ3-CD1 4.48Å; W95-I103 HydrophobicContact CZ3-CG2 4.22Å; I103-V114 CarbonylContact O-C 3.58Å; I103-V114 WeakPolarHBondContact O-CA 3.2Å; I103-W115 HydrophobicContact CG2-CB 3.89Å; I103-W115 HydrophobicContact CG2-CG 4.38Å; I103-W115 PolarHBondContact N-O 3.08Å; I103-W115 PolarHBondContact O-N 3.07Å; I103-I117 HydrophobicContact CG2-CD1 3.97Å; I103-I117 HydrophobicContact CG2-CG1 3.99Å |
| 104 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 146.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | I93 K94 K113 V114 I143 W145 L153 | I93-A104 CarbonylContact C-O 3.56Å; I93-A104 VanDerWaalsContact CA-O 3.27Å; I93-A104 WeakPolarHBondContact CA-O 3.48Å; K94-A104 PolarHBondContact N-O 3.07Å; K94-A104 PolarHBondContact O-N 3.03Å; A104-K113 CarbonylContact C-O 3.59Å; A104-K113 WeakPolarHBondContact CA-O 3.43Å; A104-V114 HydrophobicContact CB-CG2 4.35Å; A104-I143 VanDerWaalsContact C-CD1 3.49Å; A104-I143 HydrophobicContact CB-CD1 3.71Å; A104-I143 WeakPolarHBondContact O-CD1 3.25Å; A104-W145 HydrophobicContact CB-CZ2 3.63Å; A104-L153 HydrophobicContact CB-CD1 4.25Å; A104-L153 HydrophobicContact CB-CD2 4.03Å |
| 105 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.8 | 172.8 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | H86 D92 V112 K113 W115 | H86-S105 PolarHBondContact CD2-OG 3.14Å; H86-S105 PolarHBondContact NE2-OG 3.48Å; D92-S105 WeakPolarHBondContact O-CA 3.49Å; S105-V112 CarbonylContact O-C 3.46Å; S105-V112 WeakPolarHBondContact O-CA 2.94Å; S105-V112 WeakPolarHBondContact O-CG1 3.26Å; S105-K113 PolarHBondContact N-O 3.41Å; S105-K113 PolarHBondContact O-N 3.08Å; S105-W115 PolarHBondContact OG-NE1 2.73Å |
| 106 | C | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 155.5 | 175.1 | 73.9 | 0 | 0 | 0 | 0 | 111.4 | V90 L91 D92 V112 V140 I143 | V90-C106 CarbonylContact C-O 3.55Å; V90-C106 WeakPolarHBondContact CA-O 3.17Å; L91-C106 PolarHBondContact N-O 2.64Å; D92-C106 WeakPolarHBondContact CB-SG 3.4Å; D92-C106 PolarHBondContact N-SG 3.26Å; D92-C106 PolarHBondContact O-N 3.28Å; C106-V112 HydrophobicContact CB-CG2 3.97Å; C106-V140 HydrophobicContact CB-CB 3.85Å; C106-V140 HydrophobicContact CB-CG1 3.65Å; C106-V140 PolarHBondContact SG-O 3.35Å; C106-I143 HydrophobicContact CB-CG2 3.66Å |
| 107 | S | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 164.7 | -166.4 | 172.5 | 0 | 0 | 0 | 0 | 114.8 | H86 G88 N89 D109 T110 T111 V140 | H86-S107 VanDerWaalsContact CE1-CB 3.49Å; H86-S107 WeakPolarHBondContact CE1-CB 3.36Å; H86-S107 WeakPolarHBondContact ND1-CB 3.27Å; G88-S107 PolarHBondContact O-OG 3.47Å; N89-S107 VanDerWaalsContact O-CA 3.24Å; N89-S107 WeakPolarHBondContact O-CA 3.11Å; N89-S107 WeakPolarHBondContact O-CB 3.17Å; N89-S107 PolarHBondContact O-OG 2.86Å; N89-S107 VanDerWaalsContact O-OG 3.05Å; S107-D109 VanDerWaalsContact CB-OD1 3.28Å; S107-D109 WeakPolarHBondContact CB-OD1 3.42Å; S107-D109 PolarHBondContact O-N 2.9Å; S107-D109 VanDerWaalsContact OG-CG 3.3Å; S107-D109 PolarHBondContact OG-N 2.94Å; S107-D109 VanDerWaalsContact OG-N 3.11Å; S107-D109 PolarHBondContact OG-OD1 3.48Å; S107-T110 PolarHBondContact O-N 3.41Å; S107-T111 PolarHBondContact N-O 3.05Å; S107-V140 PolarHBondContact O-N 3.36Å |
| 108 | E | 97.1 | Very high | 98.1 | Very high | 63 Ų | 63 | 24.2 Ų | 24.2 | 29% | 0.294 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -20.3 | 165.3 | -63.4 | -168.4 | 135.9 | 0 | 0 | 114.4 | N89 L91 T110 R139 | N89-E108 HydrophobicContact CB-CG 4.18Å; N89-E108 WeakPolarHBondContact CB-OE2 3.33Å; N89-E108 PolarHBondContact ND2-OE2 3.25Å; N89-E108 PolarHBondContact O-N 3.21Å; L91-E108 HydrophobicContact CD1-CG 3.78Å; L91-E108 HydrophobicContact CD2-CG 3.71Å; L91-E108 HydrophobicContact CG-CG 3.96Å; E108-T110 PolarHBondContact O-N 3.24Å; E108-T110 VanDerWaalsContact O-N 3.14Å; E108-R139 HydrophobicContact CB-CB 4.36Å; E108-R139 HydrophobicContact CG-CB 4.35Å; E108-R139 IonicContact OE1-CZ 2.78Å; E108-R139 IonicContact OE1-NH1 3.93Å; E108-R139 PolarHBondContact OE1-NH1 3.29Å |
| 109 | D | 97.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 11 | 175.4 | 69.8 | 15.5 | 0 | 0 | 0 | 115 | H86 R87 S107 T111 | H86-D109 WeakPolarHBondContact CA-OD2 3.38Å; H86-D109 WeakPolarHBondContact CB-OD2 3.3Å; H86-D109 IonicContact CE1-OD1 3.07Å; H86-D109 IonicContact CG-OD2 3.53Å; H86-D109 IonicContact ND1-OD1 2.82Å; H86-D109 PolarHBondContact ND1-OD1 2.84Å; H86-D109 IonicContact ND1-OD2 3.03Å; H86-D109 PolarHBondContact ND1-OD2 3.02Å; R87-D109 HydrophobicContact CB-CB 3.93Å; R87-D109 PolarHBondContact N-OD2 2.98Å; S107-D109 VanDerWaalsContact CB-OD1 3.28Å; S107-D109 WeakPolarHBondContact CB-OD1 3.42Å; S107-D109 PolarHBondContact O-N 2.9Å; S107-D109 VanDerWaalsContact OG-CG 3.3Å; S107-D109 PolarHBondContact OG-N 2.94Å; S107-D109 VanDerWaalsContact OG-N 3.11Å; S107-D109 PolarHBondContact OG-OD1 3.48Å; D109-T111 PolarHBondContact O-N 2.82Å; D109-T111 WeakPolarHBondContact OD1-CB 3.21Å; D109-T111 PolarHBondContact OD1-N 3.02Å; D109-T111 PolarHBondContact OD1-OG1 2.61Å |
| 110 | T | 98.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 30.4 Ų | 30.4 | 29% | 0.294 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 67.2 | 10 | 178.9 | 86 | 0 | 0 | 0 | 0 | 115.2 | S107 E108 H136 R138 V140 | S107-T110 PolarHBondContact O-N 3.41Å; E108-T110 PolarHBondContact O-N 3.24Å; E108-T110 VanDerWaalsContact O-N 3.14Å; T110-H136 PolarHBondContact OG1-O 2.92Å; T110-R138 WeakPolarHBondContact CB-O 3.48Å; T110-R138 VanDerWaalsContact CG2-C 3.43Å; T110-V140 WeakPolarHBondContact O-CG2 3.48Å |
| 111 | T | 98.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 30 Ų | 30 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | trans | -109.4 | 156 | 179.1 | 72.3 | 0 | 0 | 0 | 0 | 112.6 | H86 S107 D109 L133 Q134 | H86-T111 PolarHBondContact CE1-OG1 3.11Å; H86-T111 PolarHBondContact ND1-OG1 3.49Å; S107-T111 PolarHBondContact N-O 3.05Å; D109-T111 PolarHBondContact O-N 2.82Å; D109-T111 WeakPolarHBondContact OD1-CB 3.21Å; D109-T111 PolarHBondContact OD1-N 3.02Å; D109-T111 PolarHBondContact OD1-OG1 2.61Å; T111-L133 WeakPolarHBondContact CA-O 3.42Å; T111-Q134 HydrophobicContact CG2-CG 4.19Å | ||
| 112 | V | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135 | 159.8 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | S105 C106 L133 V140 I143 L153 | S105-V112 CarbonylContact O-C 3.46Å; S105-V112 WeakPolarHBondContact O-CA 2.94Å; S105-V112 WeakPolarHBondContact O-CG1 3.26Å; C106-V112 HydrophobicContact CB-CG2 3.97Å; V112-L133 HydrophobicContact CB-CB 4.03Å; V112-L133 HydrophobicContact CB-CD1 3.83Å; V112-L133 HydrophobicContact CB-CG 4.16Å; V112-L133 HydrophobicContact CG1-CD1 3.87Å; V112-L133 PolarHBondContact N-O 2.98Å; V112-L133 PolarHBondContact O-N 3.33Å; V112-V140 HydrophobicContact CG2-CB 4.32Å; V112-V140 HydrophobicContact CG2-CG1 3.73Å; V112-V140 HydrophobicContact CG2-CG2 4.31Å; V112-I143 HydrophobicContact CG1-CG2 3.98Å; V112-I143 HydrophobicContact CG2-CG2 3.92Å; V112-L153 HydrophobicContact CG1-CD2 3.75Å |
| 113 | K | 98.8 | Very high | 96.7 | Very high | 14 Ų | 14 | 33 Ų | 33 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138.5 | 177.1 | -70.3 | 177 | -171.7 | -96.6 | 0 | 109.8 | G85 A104 S105 W115 P129 K131 E132 | G85-K113 WeakPolarHBondContact O-CE 3.36Å; G85-K113 PolarHBondContact O-NZ 2.9Å; A104-K113 CarbonylContact C-O 3.59Å; A104-K113 WeakPolarHBondContact CA-O 3.43Å; S105-K113 PolarHBondContact N-O 3.41Å; S105-K113 PolarHBondContact O-N 3.08Å; K113-W115 HydrophobicContact CB-CH2 4.44Å; K113-W115 HydrophobicContact CB-CZ2 3.54Å; K113-W115 HydrophobicContact CD-CH2 3.85Å; K113-W115 HydrophobicContact CD-CZ2 3.51Å; K113-W115 HydrophobicContact CG-CZ2 4.14Å; K113-W115 PolarHBondContact O-NE1 2.73Å; K113-P129 HydrophobicContact CB-CB 3.85Å; K113-P129 HydrophobicContact CB-CG 4.36Å; K113-P129 HydrophobicContact CD-CB 4.28Å; K113-P129 HydrophobicContact CD-CG 4.03Å; K113-P129 HydrophobicContact CG-CB 4.11Å; K113-P129 HydrophobicContact CG-CG 4.05Å; K113-K131 CarbonylContact C-O 3.49Å; K113-K131 WeakPolarHBondContact CA-O 3.35Å; K113-E132 HydrophobicContact CG-CG 4.17Å; K113-E132 IonicContact NZ-OE1 3.96Å; K113-E132 IonicContact NZ-OE2 2.85Å; K113-E132 PolarHBondContact NZ-OE2 3.25Å |
| 114 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.9 | 175.6 | -170.9 | 0 | 0 | 0 | 0 | 108.1 | C102 I103 A104 P129 W130 K131 W145 L167 | C102-V114 WeakPolarHBondContact SG-CG1 3.44Å; I103-V114 CarbonylContact O-C 3.58Å; I103-V114 WeakPolarHBondContact O-CA 3.2Å; A104-V114 HydrophobicContact CB-CG2 4.35Å; V114-P129 CarbonylContact O-C 3.49Å; V114-P129 WeakPolarHBondContact O-CB 3.46Å; V114-W130 HydrophobicContact CB-CE3 4.07Å; V114-W130 HydrophobicContact CG1-CE3 3.71Å; V114-W130 HydrophobicContact CG1-CZ3 4.14Å; V114-W130 WeakPolarHBondContact O-CA 3.43Å; V114-W130 WeakPolarHBondContact O-CB 3.24Å; V114-W130 PolarHBondContact O-N 3.19Å; V114-K131 HydrophobicContact CB-CB 4.07Å; V114-K131 HydrophobicContact CG2-CB 4.15Å; V114-K131 PolarHBondContact N-O 3.06Å; V114-K131 PolarHBondContact O-N 2.97Å; V114-W145 HydrophobicContact CG1-CH2 4.03Å; V114-W145 HydrophobicContact CG1-CZ2 4.23Å; V114-L167 HydrophobicContact CG1-CD1 4.48Å; V114-L167 HydrophobicContact CG2-CD1 4.04Å; V114-L167 HydrophobicContact CG2-CD2 4.29Å |
| 115 | W | 98.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 1% | 0.011 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.8 | -170.5 | -48.5 | 87.6 | 0 | 0 | 0 | 110.3 | F65 V83 C102 I103 S105 K113 I117 P129 | F65-W115 AromaticContact CE1-NE1 3.78Å; F65-W115 AromaticContact CZ-CD1 3.75Å; F65-W115 HydrophobicContact CZ-CG 4.21Å; F65-W115 AromaticContact CZ-NE1 3.96Å; V83-W115 HydrophobicContact CG1-CB 4.49Å; V83-W115 HydrophobicContact CG1-CD2 3.32Å; V83-W115 HydrophobicContact CG1-CE3 3.42Å; V83-W115 VanDerWaalsContact CG1-CE3 3.42Å; V83-W115 HydrophobicContact CG1-CG 3.81Å; V83-W115 HydrophobicContact CG1-CH2 4.06Å; V83-W115 HydrophobicContact CG1-CZ2 3.96Å; V83-W115 HydrophobicContact CG1-CZ3 3.8Å; C102-W115 WeakPolarHBondContact CA-O 3.41Å; I103-W115 HydrophobicContact CG2-CB 3.89Å; I103-W115 HydrophobicContact CG2-CG 4.38Å; I103-W115 PolarHBondContact N-O 3.08Å; I103-W115 PolarHBondContact O-N 3.07Å; S105-W115 PolarHBondContact OG-NE1 2.73Å; K113-W115 HydrophobicContact CB-CH2 4.44Å; K113-W115 HydrophobicContact CB-CZ2 3.54Å; K113-W115 HydrophobicContact CD-CH2 3.85Å; K113-W115 HydrophobicContact CD-CZ2 3.51Å; K113-W115 HydrophobicContact CG-CZ2 4.14Å; K113-W115 PolarHBondContact O-NE1 2.73Å; W115-I117 HydrophobicContact CB-CD1 4.34Å; W115-P129 HydrophobicContact CD2-CB 4.11Å; W115-P129 HydrophobicContact CE3-CB 3.88Å; W115-P129 HydrophobicContact CH2-CB 3.99Å; W115-P129 HydrophobicContact CH2-CG 4.47Å; W115-P129 HydrophobicContact CZ2-CB 4.23Å; W115-P129 HydrophobicContact CZ3-CB 3.82Å |
| 116 | E | 97.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 46.8 Ų | 46.8 | 62% | 0.621 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.7 | 167.3 | -170.6 | 176.2 | -172.5 | 0 | 0 | 108.9 | Y101 | Y101-E116 CarbonylContact O-C 3.54Å; Y101-E116 WeakPolarHBondContact O-CA 3.3Å |
| 117 | I | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -96 | 123.9 | -179.3 | -56.7 | -52.9 | 0 | 0 | 0 | 108.2 | F52 V67 V83 W95 Y101 I103 W115 V122 L126 | F52-I117 HydrophobicContact CD2-CG2 4.41Å; F52-I117 HydrophobicContact CE1-CG2 4.37Å; F52-I117 HydrophobicContact CE2-CG2 4.06Å; F52-I117 HydrophobicContact CZ-CG2 4.03Å; V67-I117 HydrophobicContact CG1-CG2 3.99Å; V67-I117 HydrophobicContact CG2-CD1 4.08Å; V83-I117 HydrophobicContact CG2-CD1 4.12Å; W95-I117 HydrophobicContact CH2-CG1 3.87Å; W95-I117 HydrophobicContact CZ3-CG1 3.85Å; Y101-I117 WeakPolarHBondContact CB-O 3.42Å; Y101-I117 WeakPolarHBondContact CD1-O 3.32Å; Y101-I117 PolarHBondContact O-N 3.4Å; I103-I117 HydrophobicContact CG2-CD1 3.97Å; I103-I117 HydrophobicContact CG2-CG1 3.99Å; W115-I117 HydrophobicContact CB-CD1 4.34Å; I117-V122 HydrophobicContact CD1-CG2 4.38Å; I117-V122 HydrophobicContact CG2-CG2 4.23Å; I117-L126 HydrophobicContact CD1-CD1 4.06Å |
| 118 | P | 96.4 | Very high | 96 | Very high | 35 Ų | 35 | 55.6 Ų | 55.6 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 147.2 | 178.4 | -24.3 | 33.1 | 0 | 0 | 0 | 112.2 | H120 G121 | P118-H120 PolarHBondContact O-N 2.88Å; P118-H120 VanDerWaalsContact O-N 3.09Å; P118-G121 WeakPolarHBondContact O-CA 3.4Å; P118-G121 PolarHBondContact O-N 3.18Å |
| 119 | P | 93.3 | Very high | 96.1 | Very high | 93 Ų | 93 | 53.1 Ų | 53.1 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -30.3 | -177.6 | -29.8 | 36.1 | 0 | 0 | 0 | 115.7 | Y101 G121 | Y101-P119 VanDerWaalsContact CE1-CA 3.47Å; Y101-P119 HydrophobicContact CE1-CB 3.99Å; Y101-P119 HydrophobicContact CE1-CG 4.3Å; P119-G121 VanDerWaalsContact C-N 3.27Å; P119-G121 PolarHBondContact O-N 2.8Å |
| 120 | H | 89.9 | Confident | 96.1 | Very high | 129 Ų | 129 | 56.5 Ų | 56.5 | 60% | 0.597 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 10.8 | 177.8 | 52 | -102.8 | 0 | 0 | 0 | 113.3 | P118 L123 | P118-H120 PolarHBondContact O-N 2.88Å; P118-H120 VanDerWaalsContact O-N 3.09Å; H120-L123 WeakPolarHBondContact CD2-CD1 3.42Å |
| 121 | G | 91.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | trans | 81.6 | -175.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P118 P119 L123 | P118-G121 WeakPolarHBondContact O-CA 3.4Å; P118-G121 PolarHBondContact O-N 3.18Å; P119-G121 VanDerWaalsContact C-N 3.27Å; P119-G121 PolarHBondContact O-N 2.8Å; G121-L123 PolarHBondContact O-N 2.83Å | ||
| 122 | V | 92.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | trans | -85.8 | 99.3 | -175.4 | -171.9 | 0 | 0 | 0 | 0 | 110 | V67 P81 V83 I117 K124 L126 | V67-V122 HydrophobicContact CB-CG2 3.85Å; V67-V122 HydrophobicContact CG1-CG2 4.47Å; V67-V122 HydrophobicContact CG2-CG2 4.34Å; P81-V122 HydrophobicContact CB-CG1 3.89Å; V83-V122 HydrophobicContact CG2-CG2 4.33Å; I117-V122 HydrophobicContact CD1-CG2 4.38Å; I117-V122 HydrophobicContact CG2-CG2 4.23Å; V122-K124 WeakPolarHBondContact CG1-O 3.35Å; V122-L126 HydrophobicContact CG1-CD1 4.41Å; V122-L126 HydrophobicContact CG1-CG 4.09Å; V122-L126 HydrophobicContact CG2-CD1 4.28Å | ||
| 123 | L | 91.3 | Very high | 96.1 | Very high | 120 Ų | 120 | 56 Ų | 56 | 63% | 0.628 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -92.3 | -17.8 | 177.6 | -63.1 | 178.1 | 0 | 0 | 0 | 114 | P81 H120 G121 | P81-L123 WeakPolarHBondContact CG-O 3.49Å; H120-L123 WeakPolarHBondContact CD2-CD1 3.42Å; G121-L123 PolarHBondContact O-N 2.83Å |
| 124 | K | 94.2 | Very high | 96.1 | Very high | 176 Ų | 176 | 58.7 Ų | 58.7 | 77% | 0.765 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -137.7 | 146.4 | 174 | -66.9 | -176.5 | -177.8 | 178.3 | 0 | 108.3 | V122 L126 | V122-K124 WeakPolarHBondContact CG1-O 3.35Å; K124-L126 PolarHBondContact O-N 2.83Å |
| 125 | T | 95.5 | Very high | 96 | Very high | 72 Ų | 72 | 60.2 Ų | 60.2 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | trans | -58.2 | 122.5 | -178.8 | -61.8 | 0 | 0 | 0 | 0 | 109.9 | R82 S84 T127 | R82-T125 CarbonylContact O-C 3.48Å; R82-T125 WeakPolarHBondContact O-CA 3.39Å; R82-T125 VanDerWaalsContact O-CG2 3.28Å; R82-T125 WeakPolarHBondContact O-CG2 3.36Å; S84-T125 WeakPolarHBondContact OG-CG2 3.49Å; T125-T127 HydrophobicContact CG2-CG2 4.18Å | ||
| 126 | L | 96.7 | Very high | 96 | Very high | 43 Ų | 43 | 60.5 Ų | 60.5 | 23% | 0.225 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 119.6 | 178.1 | -60.7 | 179.3 | 0 | 0 | 0 | 108.8 | R82 V83 S84 I117 V122 K124 | R82-L126 PolarHBondContact O-N 2.96Å; V83-L126 CarbonylContact C-O 3.57Å; V83-L126 HydrophobicContact CG1-CB 4.29Å; V83-L126 HydrophobicContact CG2-CB 4.41Å; V83-L126 HydrophobicContact CG2-CD1 4.21Å; S84-L126 CarbonylContact C-O 3.58Å; S84-L126 PolarHBondContact N-O 3.29Å; I117-L126 HydrophobicContact CD1-CD1 4.06Å; V122-L126 HydrophobicContact CG1-CD1 4.41Å; V122-L126 HydrophobicContact CG1-CG 4.09Å; V122-L126 HydrophobicContact CG2-CD1 4.28Å; K124-L126 PolarHBondContact O-N 2.83Å |
| 127 | T | 96.2 | Very high | 96 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | trans | -114.5 | -19.9 | -179.2 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | S84 G85 T125 | S84-T127 VanDerWaalsContact O-CA 3.31Å; S84-T127 WeakPolarHBondContact O-CA 3.44Å; S84-T127 WeakPolarHBondContact O-CG2 3.47Å; G85-T127 WeakPolarHBondContact CA-O 3.27Å; T125-T127 HydrophobicContact CG2-CG2 4.18Å | ||
| 128 | V | 96.7 | Very high | 96 | Very high | 102 Ų | 102 | 64.6 Ų | 64.6 | 62% | 0.618 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -105 | 119 | -178.3 | -177.4 | 0 | 0 | 0 | 0 | 109 | ||
| 129 | P | 97.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 7% | 0.065 | 35% | 0.352 | C | S | . | . | trans | -78.7 | 157.2 | 176.1 | 34.4 | -36.7 | 0 | 0 | 0 | 111.6 | K113 V114 W115 K131 E132 Q172 | K113-P129 HydrophobicContact CB-CB 3.85Å; K113-P129 HydrophobicContact CB-CG 4.36Å; K113-P129 HydrophobicContact CD-CB 4.28Å; K113-P129 HydrophobicContact CD-CG 4.03Å; K113-P129 HydrophobicContact CG-CB 4.11Å; K113-P129 HydrophobicContact CG-CG 4.05Å; V114-P129 CarbonylContact O-C 3.49Å; V114-P129 WeakPolarHBondContact O-CB 3.46Å; W115-P129 HydrophobicContact CD2-CB 4.11Å; W115-P129 HydrophobicContact CE3-CB 3.88Å; W115-P129 HydrophobicContact CH2-CB 3.99Å; W115-P129 HydrophobicContact CH2-CG 4.47Å; W115-P129 HydrophobicContact CZ2-CB 4.23Å; W115-P129 HydrophobicContact CZ3-CB 3.82Å; P129-K131 WeakPolarHBondContact CB-O 3.43Å; P129-E132 HydrophobicContact CG-CB 4.29Å; P129-Q172 PolarHBondContact O-NE2 3.05Å | ||
| 130 | W | 97.9 | Very high | 96.3 | Very high | 99 Ų | 99 | 63.4 Ų | 63.4 | 38% | 0.375 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -68.5 | -41.6 | 169.6 | 173.6 | 65.1 | 0 | 0 | 0 | 111.6 | V114 L167 Q172 | V114-W130 HydrophobicContact CB-CE3 4.07Å; V114-W130 HydrophobicContact CG1-CE3 3.71Å; V114-W130 HydrophobicContact CG1-CZ3 4.14Å; V114-W130 WeakPolarHBondContact O-CA 3.43Å; V114-W130 WeakPolarHBondContact O-CB 3.24Å; V114-W130 PolarHBondContact O-N 3.19Å; W130-L167 HydrophobicContact CH2-CB 3.94Å; W130-L167 HydrophobicContact CZ3-CB 3.96Å; W130-L167 HydrophobicContact CZ3-CD1 4.05Å; W130-Q172 WeakPolarHBondContact O-CG 3.41Å |
| 131 | K | 98.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 4% | 0.043 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.5 | 170.9 | -62.9 | -66.8 | -175.3 | -171.4 | 0 | 111.6 | K113 V114 P129 L133 L167 S169 E171 Q172 I174 | K113-K131 CarbonylContact C-O 3.49Å; K113-K131 WeakPolarHBondContact CA-O 3.35Å; V114-K131 HydrophobicContact CB-CB 4.07Å; V114-K131 HydrophobicContact CG2-CB 4.15Å; V114-K131 PolarHBondContact N-O 3.06Å; V114-K131 PolarHBondContact O-N 2.97Å; P129-K131 WeakPolarHBondContact CB-O 3.43Å; K131-L133 HydrophobicContact CB-CD2 4.42Å; K131-L167 VanDerWaalsContact CE-O 3.28Å; K131-L167 WeakPolarHBondContact CE-O 3.13Å; K131-L167 HydrophobicContact CG-CD2 4.46Å; K131-S169 PolarHBondContact NZ-O 2.98Å; K131-E171 WeakPolarHBondContact CD-O 3.49Å; K131-E171 PolarHBondContact NZ-O 2.84Å; K131-Q172 CarbonylContact C-O 3.59Å; K131-Q172 VanDerWaalsContact CA-O 3.29Å; K131-Q172 WeakPolarHBondContact CA-O 3.13Å; K131-I174 HydrophobicContact CD-CD1 4.2Å |
| 132 | E | 98.6 | Very high | 97 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.5 | 169.6 | -174.2 | 171.1 | 154.1 | 0 | 0 | 109.9 | K113 P129 Q134 Q172 V173 I174 | K113-E132 HydrophobicContact CG-CG 4.17Å; K113-E132 IonicContact NZ-OE1 3.96Å; K113-E132 IonicContact NZ-OE2 2.85Å; K113-E132 PolarHBondContact NZ-OE2 3.25Å; P129-E132 HydrophobicContact CG-CB 4.29Å; E132-Q134 HydrophobicContact CG-CG 4.04Å; E132-Q134 PolarHBondContact OE1-NE2 2.94Å; E132-Q172 PolarHBondContact N-O 2.89Å; E132-V173 HydrophobicContact CB-CG2 4.37Å; E132-V173 CarbonylContact O-C 3.55Å; E132-V173 VanDerWaalsContact O-CA 3.27Å; E132-V173 WeakPolarHBondContact O-CA 3.33Å; E132-I174 PolarHBondContact O-N 3.42Å |
| 133 | L | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.2 | -177.5 | -43.4 | 177.5 | 0 | 0 | 0 | 108.5 | T111 V112 K131 L153 W165 L167 I174 | T111-L133 WeakPolarHBondContact CA-O 3.42Å; V112-L133 HydrophobicContact CB-CB 4.03Å; V112-L133 HydrophobicContact CB-CD1 3.83Å; V112-L133 HydrophobicContact CB-CG 4.16Å; V112-L133 HydrophobicContact CG1-CD1 3.87Å; V112-L133 PolarHBondContact N-O 2.98Å; V112-L133 PolarHBondContact O-N 3.33Å; K131-L133 HydrophobicContact CB-CD2 4.42Å; L133-L153 HydrophobicContact CD1-CD2 3.77Å; L133-W165 HydrophobicContact CB-CD2 3.89Å; L133-W165 HydrophobicContact CB-CE3 3.88Å; L133-W165 HydrophobicContact CB-CH2 4.01Å; L133-W165 HydrophobicContact CB-CZ2 4.02Å; L133-W165 HydrophobicContact CB-CZ3 3.94Å; L133-W165 HydrophobicContact CD1-CB 3.91Å; L133-W165 HydrophobicContact CD1-CD2 3.75Å; L133-W165 HydrophobicContact CD1-CE3 4.33Å; L133-W165 HydrophobicContact CD1-CG 3.52Å; L133-W165 HydrophobicContact CD2-CD2 4.26Å; L133-W165 HydrophobicContact CD2-CE3 4Å; L133-W165 HydrophobicContact CG-CD2 4.16Å; L133-W165 HydrophobicContact CG-CE3 4.27Å; L133-W165 HydrophobicContact CG-CG 4.4Å; L133-L167 HydrophobicContact CD1-CD2 4.16Å; L133-L167 HydrophobicContact CD2-CD2 3.71Å; L133-L167 HydrophobicContact CG-CD2 4.49Å; L133-I174 WeakPolarHBondContact CA-O 3.32Å; L133-I174 HydrophobicContact CD2-CB 3.83Å; L133-I174 HydrophobicContact CD2-CD1 3.74Å; L133-I174 HydrophobicContact CD2-CG1 4.17Å |
| 134 | Q | 98.2 | Very high | 97.6 | Very high | 71 Ų | 71 | 54 Ų | 54 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | trans | -123 | 89.6 | -173.9 | -65.4 | -177.2 | -8.2 | 0 | 0 | 110 | T111 E132 V173 I174 K175 | T111-Q134 HydrophobicContact CG2-CG 4.19Å; E132-Q134 HydrophobicContact CG-CG 4.04Å; E132-Q134 PolarHBondContact OE1-NE2 2.94Å; Q134-V173 HydrophobicContact CB-CG1 4.5Å; Q134-V173 HydrophobicContact CG-CG1 3.97Å; Q134-I174 PolarHBondContact N-O 2.9Å; Q134-K175 HydrophobicContact CB-CG 4.26Å; Q134-K175 CarbonylContact O-C 3.51Å; Q134-K175 VanDerWaalsContact O-CA 3.24Å; Q134-K175 WeakPolarHBondContact O-CA 3.3Å; Q134-K175 VanDerWaalsContact O-O 3.13Å | ||
| 135 | G | 97.6 | Very high | 97.8 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | trans | -142.1 | -34.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 136 | H | 98.5 | Very high | 98 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | trans | -66.6 | 141.7 | 177.4 | -74.3 | -64.3 | 0 | 0 | 0 | 112 | T110 V140 S155 A157 D159 Q161 | T110-H136 PolarHBondContact OG1-O 2.92Å; H136-V140 HydrophobicContact CB-CG2 3.76Å; H136-S155 PolarHBondContact CD2-OG 3.29Å; H136-S155 PolarHBondContact NE2-O 3.3Å; H136-S155 PolarHBondContact NE2-OG 3.11Å; H136-A157 HydrophobicContact CB-CB 3.72Å; H136-A157 VanDerWaalsContact ND1-CB 3.27Å; H136-A157 WeakPolarHBondContact ND1-CB 3.31Å; H136-D159 VanDerWaalsContact CA-OD2 3.24Å; H136-D159 WeakPolarHBondContact CA-OD2 3.38Å; H136-D159 WeakPolarHBondContact CB-OD2 3.47Å; H136-D159 IonicContact CE1-OD1 3.58Å; H136-D159 IonicContact CG-OD2 3.4Å; H136-D159 IonicContact ND1-OD1 2.76Å; H136-D159 PolarHBondContact ND1-OD1 3.14Å; H136-D159 IonicContact ND1-OD2 2.85Å; H136-D159 PolarHBondContact ND1-OD2 3.45Å; H136-Q161 PolarHBondContact CE1-O 3.33Å; H136-Q161 VanDerWaalsContact CE1-O 3.31Å | ||
| 137 | S | 97.9 | Very high | 98 | Very high | 90 Ų | 90 | 42.8 Ų | 42.8 | 63% | 0.629 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -93.9 | -5.6 | -179.2 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | D159 | S137-D159 PolarHBondContact N-OD2 2.98Å; S137-D159 VanDerWaalsContact OG-CB 3.23Å; S137-D159 WeakPolarHBondContact OG-CB 3.32Å; S137-D159 PolarHBondContact OG-OD2 2.97Å |
| 138 | R | 98.4 | Very high | 98.1 | Very high | 130 Ų | 130 | 38.9 Ų | 38.9 | 49% | 0.491 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -142.5 | 171.8 | -178.5 | -68 | 178.4 | 169 | -171.2 | 0.2 | 110 | T110 V140 Y158 D159 | T110-R138 WeakPolarHBondContact CB-O 3.48Å; T110-R138 VanDerWaalsContact CG2-C 3.43Å; R138-V140 PolarHBondContact O-N 3.29Å; R138-Y158 VanDerWaalsContact CD-C 3.42Å; R138-Y158 WeakPolarHBondContact CD-O 3.35Å; R138-Y158 PolarHBondContact NH1-O 2.87Å; R138-D159 HydrophobicContact CB-CB 4.31Å; R138-D159 HydrophobicContact CG-CB 4.36Å |
| 139 | R | 97.6 | Very high | 98.1 | Very high | 104 Ų | 104 | 34 Ų | 34 | 39% | 0.392 | 17% | 0.169 | S | C | . | . | trans | -48.3 | 130.4 | -179.5 | 69 | -179.2 | 102.5 | -162.4 | 8.4 | 111.8 | L91 E108 A157 Y158 | L91-R139 HydrophobicContact CD1-CB 4.13Å; L91-R139 HydrophobicContact CD1-CG 4.3Å; E108-R139 HydrophobicContact CB-CB 4.36Å; E108-R139 HydrophobicContact CG-CB 4.35Å; E108-R139 IonicContact OE1-CZ 2.78Å; E108-R139 IonicContact OE1-NH1 3.93Å; E108-R139 PolarHBondContact OE1-NH1 3.29Å; R139-A157 VanDerWaalsContact O-CA 3.3Å; R139-A157 WeakPolarHBondContact O-CA 3.28Å; R139-A157 VanDerWaalsContact O-CB 3.22Å; R139-A157 WeakPolarHBondContact O-CB 3.27Å; R139-Y158 HydrophobicContact CG-CD1 4.3Å; R139-Y158 HydrophobicContact CG-CD2 3.42Å; R139-Y158 VanDerWaalsContact CG-CD2 3.42Å; R139-Y158 HydrophobicContact CG-CE2 3.93Å; R139-Y158 HydrophobicContact CG-CG 3.63Å; R139-Y158 PolarHBondContact O-N 3.39Å | ||
| 140 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120 | 178.2 | -171.3 | 0 | 0 | 0 | 0 | 108 | L91 C106 S107 T110 V112 H136 R138 T156 A157 | L91-V140 VanDerWaalsContact CD1-O 3.24Å; L91-V140 WeakPolarHBondContact CD1-O 3.48Å; C106-V140 HydrophobicContact CB-CB 3.85Å; C106-V140 HydrophobicContact CB-CG1 3.65Å; C106-V140 PolarHBondContact SG-O 3.35Å; S107-V140 PolarHBondContact O-N 3.36Å; T110-V140 WeakPolarHBondContact O-CG2 3.48Å; V112-V140 HydrophobicContact CG2-CB 4.32Å; V112-V140 HydrophobicContact CG2-CG1 3.73Å; V112-V140 HydrophobicContact CG2-CG2 4.31Å; H136-V140 HydrophobicContact CB-CG2 3.76Å; R138-V140 PolarHBondContact O-N 3.29Å; V140-T156 WeakPolarHBondContact CG1-O 3.48Å; V140-A157 HydrophobicContact CB-CB 4.35Å; V140-A157 HydrophobicContact CG2-CB 4.12Å |
| 141 | G | 97.2 | Very high | 98.1 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -26.7 | -169 | 0 | 0 | 0 | 0 | 0 | 114.6 | N43 T156 | N43-G141 PolarHBondContact ND2-O 2.95Å; G141-T156 PolarHBondContact N-O 2.92Å |
| 142 | I | 98.3 | Very high | 98.1 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 139.5 | -173 | -48.4 | 172.6 | 0 | 0 | 0 | 108.6 | S155 T156 V188 L189 M191 | I142-S155 WeakPolarHBondContact O-CA 3.4Å; I142-T156 HydrophobicContact CB-CG2 3.64Å; I142-T156 HydrophobicContact CD1-CG2 4.08Å; I142-T156 HydrophobicContact CG1-CG2 4.13Å; I142-T156 PolarHBondContact N-O 3.38Å; I142-T156 PolarHBondContact O-N 2.79Å; I142-V188 WeakPolarHBondContact CD1-O 3.35Å; I142-L189 WeakPolarHBondContact CD1-O 3.29Å; I142-M191 HydrophobicContact CB-CE 4.18Å; I142-M191 HydrophobicContact CG2-CE 3.76Å |
| 143 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.5 | 171.9 | 50.1 | 171.4 | 0 | 0 | 0 | 109.7 | D92 K94 A104 C106 V112 F154 | D92-I143 HydrophobicContact CB-CG1 4.18Å; D92-I143 PolarHBondContact OD2-N 3.21Å; K94-I143 HydrophobicContact CB-CD1 4.25Å; K94-I143 HydrophobicContact CB-CG1 4.42Å; K94-I143 HydrophobicContact CG-CD1 4.28Å; K94-I143 HydrophobicContact CG-CG1 3.97Å; K94-I143 WeakPolarHBondContact CG-O 3.23Å; A104-I143 VanDerWaalsContact C-CD1 3.49Å; A104-I143 HydrophobicContact CB-CD1 3.71Å; A104-I143 WeakPolarHBondContact O-CD1 3.25Å; C106-I143 HydrophobicContact CB-CG2 3.66Å; V112-I143 HydrophobicContact CG1-CG2 3.98Å; V112-I143 HydrophobicContact CG2-CG2 3.92Å; I143-F154 CarbonylContact C-O 3.59Å; I143-F154 VanDerWaalsContact CA-O 3.27Å; I143-F154 WeakPolarHBondContact CA-O 3.35Å |
| 144 | E | 98.5 | Very high | 98.1 | Very high | 45 Ų | 45 | 29.9 Ų | 29.9 | 21% | 0.21 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 133.1 | 171.3 | -70.9 | -61.6 | 172.4 | 0 | 0 | 110.2 | K94 L153 F154 M191 F193 | K94-E144 IonicContact NZ-OE1 3.64Å; K94-E144 PolarHBondContact NZ-OE1 2.83Å; K94-E144 IonicContact NZ-OE2 3.19Å; K94-E144 PolarHBondContact NZ-OE2 2.81Å; E144-L153 WeakPolarHBondContact O-CD1 3.34Å; E144-F154 PolarHBondContact N-O 2.89Å; E144-F154 PolarHBondContact O-N 2.86Å; E144-M191 HydrophobicContact CB-CE 4.26Å; E144-M191 HydrophobicContact CG-CB 4.06Å; E144-M191 HydrophobicContact CG-CE 4.12Å; E144-F193 HydrophobicContact CB-CD2 4.46Å; E144-F193 HydrophobicContact CB-CE2 4.01Å |
| 145 | W | 98.7 | Very high | 98.1 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 6% | 0.064 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 145 | 171.2 | -70.1 | 96.1 | 0 | 0 | 0 | 109.9 | K94 W95 N96 P97 A104 V114 L153 L167 | K94-W145 PolarHBondContact O-NE1 2.81Å; W95-W145 PolarHBondContact O-NE1 2.94Å; N96-W145 HydrophobicContact CB-CD2 4.14Å; N96-W145 HydrophobicContact CB-CE3 4.38Å; N96-W145 HydrophobicContact CB-CH2 4.1Å; N96-W145 HydrophobicContact CB-CZ2 3.84Å; N96-W145 HydrophobicContact CB-CZ3 4.36Å; P97-W145 HydrophobicContact CG-CB 4.15Å; A104-W145 HydrophobicContact CB-CZ2 3.63Å; V114-W145 HydrophobicContact CG1-CH2 4.03Å; V114-W145 HydrophobicContact CG1-CZ2 4.23Å; W145-L153 HydrophobicContact CB-CD1 4.49Å; W145-L153 HydrophobicContact CD2-CD1 3.55Å; W145-L153 HydrophobicContact CE3-CB 4.32Å; W145-L153 HydrophobicContact CE3-CD1 3.94Å; W145-L153 HydrophobicContact CG-CD1 3.8Å; W145-L153 HydrophobicContact CZ2-CD1 4.27Å; W145-L153 HydrophobicContact CZ3-CB 4.41Å; W145-L153 HydrophobicContact CZ3-CD1 4.44Å; W145-L167 HydrophobicContact CH2-CD1 3.47Å; W145-L167 VanDerWaalsContact CH2-CD1 3.47Å; W145-L167 HydrophobicContact CZ3-CD1 3.49Å; W145-L167 VanDerWaalsContact CZ3-CD1 3.49Å |
| 146 | H | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -66.6 | 137.5 | 171.9 | -170.5 | -90.3 | 0 | 0 | 0 | 110.5 | T148 A149 I152 F193 G197 W389 | H146-T148 PolarHBondContact CE1-OG1 3.44Å; H146-T148 PolarHBondContact ND1-N 3.49Å; H146-T148 PolarHBondContact O-N 3.09Å; H146-A149 PolarHBondContact CE1-N 3Å; H146-A149 VanDerWaalsContact ND1-CB 3.26Å; H146-A149 WeakPolarHBondContact ND1-CB 3.46Å; H146-A149 PolarHBondContact ND1-N 3.06Å; H146-I152 HydrophobicContact CB-CB 3.73Å; H146-I152 HydrophobicContact CB-CG2 3.8Å; H146-I152 WeakPolarHBondContact CB-O 3.15Å; H146-I152 PolarHBondContact N-O 3.49Å; H146-F193 AromaticContact CD2-CE1 3.94Å; H146-G197 WeakPolarHBondContact NE2-CA 3.41Å; H146-G197 PolarHBondContact NE2-O 2.83Å; H146-G197 VanDerWaalsContact NE2-O 3.11Å; H146-W389 AromaticContact CD2-CE2 3.74Å; H146-W389 AromaticContact CD2-CZ2 3.6Å; H146-W389 AromaticContact CE1-CD1 3.75Å; H146-W389 AromaticContact CE1-CE2 3.88Å; H146-W389 AromaticContact CE1-NE1 3.49Å; H146-W389 PolarHBondContact CE1-NE1 3.26Å; H146-W389 AromaticContact NE2-CD1 3.79Å; H146-W389 AromaticContact NE2-CE2 3.24Å; H146-W389 AromaticContact NE2-CZ2 3.5Å; H146-W389 AromaticContact NE2-NE1 3.05Å; H146-W389 PolarHBondContact NE2-NE1 2.69Å | ||
| 147 | P | 97.1 | Very high | 98.2 | Very high | 39 Ų | 39 | 24.8 Ų | 24.8 | 25% | 0.253 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -78.2 | -16.6 | -168.9 | 30 | -37.1 | 0 | 0 | 0 | 114.8 | F98 F193 | F98-P147 VanDerWaalsContact CZ-O 3.27Å; F98-P147 WeakPolarHBondContact CZ-O 3.3Å; P147-F193 HydrophobicContact CG-CB 3.88Å; P147-F193 HydrophobicContact CG-CG 4.23Å |
| 148 | T | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -130.1 | -42.4 | -174 | 61 | 0 | 0 | 0 | 0 | 114.4 | H146 T195 D196 P382 A383 L384 K395 P397 | H146-T148 PolarHBondContact CE1-OG1 3.44Å; H146-T148 PolarHBondContact ND1-N 3.49Å; H146-T148 PolarHBondContact O-N 3.09Å; T148-T195 WeakPolarHBondContact CG2-O 3.2Å; T148-D196 WeakPolarHBondContact CG2-O 3.41Å; T148-D196 PolarHBondContact OG1-O 3.07Å; T148-P382 CarbonylContact O-C 3.57Å; T148-P382 WeakPolarHBondContact O-CA 3.31Å; T148-P382 WeakPolarHBondContact O-CB 3.33Å; T148-A383 PolarHBondContact O-N 2.87Å; T148-L384 PolarHBondContact O-N 3.48Å; T148-K395 WeakPolarHBondContact CB-O 3.45Å; T148-K395 WeakPolarHBondContact CG2-O 3.44Å; T148-K395 PolarHBondContact OG1-O 3.01Å; T148-P397 HydrophobicContact CG2-CB 4.25Å |
| 149 | A | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | B | Isolated β-bridge | trans | -77.3 | 130.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F98 H146 I152 L384 W389 | F98-A149 WeakPolarHBondContact CE2-O 3.35Å; H146-A149 PolarHBondContact CE1-N 3Å; H146-A149 VanDerWaalsContact ND1-CB 3.26Å; H146-A149 WeakPolarHBondContact ND1-CB 3.46Å; H146-A149 PolarHBondContact ND1-N 3.06Å; A149-I152 HydrophobicContact CB-CG1 4.11Å; A149-L384 WeakPolarHBondContact CA-O 3.37Å; A149-L384 HydrophobicContact CB-CB 4.18Å; A149-W389 HydrophobicContact CB-CB 3.57Å; A149-W389 HydrophobicContact CB-CD2 4.31Å; A149-W389 HydrophobicContact CB-CG 3.78Å |
| 150 | N | 97.4 | Very high | 98.2 | Very high | 46 Ų | 46 | 17.3 Ų | 17.3 | 25% | 0.246 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 150.5 | 176.3 | -163 | 26.3 | 0 | 0 | 0 | 112 | I152 P382 L384 | N150-I152 PolarHBondContact O-N 3.39Å; N150-P382 HydrophobicContact CB-CB 3.67Å; N150-P382 HydrophobicContact CB-CG 3.81Å; N150-L384 PolarHBondContact N-O 3.04Å |
| 151 | N | 97.1 | Very high | 98.1 | Very high | 25 Ų | 25 | 19.4 Ų | 19.4 | 13% | 0.134 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 17.9 | 169 | -70.8 | -17.9 | 0 | 0 | 0 | 116.2 | L167 D168 | N151-L167 HydrophobicContact CB-CB 4Å; N151-L167 WeakPolarHBondContact O-CG 3.2Å; N151-L167 PolarHBondContact O-N 3.23Å; N151-D168 PolarHBondContact ND2-OD1 2.69Å |
| 152 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 125.6 | 168.9 | -60.2 | -61.1 | 0 | 0 | 0 | 109.7 | H146 A149 N150 F154 I164 W165 N166 A386 W389 L390 | H146-I152 HydrophobicContact CB-CB 3.73Å; H146-I152 HydrophobicContact CB-CG2 3.8Å; H146-I152 WeakPolarHBondContact CB-O 3.15Å; H146-I152 PolarHBondContact N-O 3.49Å; A149-I152 HydrophobicContact CB-CG1 4.11Å; N150-I152 PolarHBondContact O-N 3.39Å; I152-F154 HydrophobicContact CG2-CD2 4.11Å; I152-F154 HydrophobicContact CG2-CE2 3.72Å; I152-I164 HydrophobicContact CG2-CG2 3.99Å; I152-W165 WeakPolarHBondContact CA-O 3.5Å; I152-N166 HydrophobicContact CD1-CB 4.06Å; I152-A386 HydrophobicContact CD1-CB 3.66Å; I152-A386 HydrophobicContact CG1-CB 4.06Å; I152-W389 HydrophobicContact CD1-CE3 4.07Å; I152-W389 HydrophobicContact CD1-CZ3 4.18Å; I152-W389 HydrophobicContact CG1-CE3 3.84Å; I152-W389 HydrophobicContact CG1-CZ3 4.13Å; I152-W389 HydrophobicContact CG2-CE3 4.17Å; I152-W389 HydrophobicContact CG2-CH2 4Å; I152-W389 HydrophobicContact CG2-CZ3 3.66Å; I152-L390 HydrophobicContact CD1-CD1 4.34Å; I152-L390 HydrophobicContact CD1-CG 4.37Å |
| 153 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.9 | 178.9 | -175.2 | 75 | 0 | 0 | 0 | 110.4 | A104 V112 L133 E144 W145 W165 | A104-L153 HydrophobicContact CB-CD1 4.25Å; A104-L153 HydrophobicContact CB-CD2 4.03Å; V112-L153 HydrophobicContact CG1-CD2 3.75Å; L133-L153 HydrophobicContact CD1-CD2 3.77Å; E144-L153 WeakPolarHBondContact O-CD1 3.34Å; W145-L153 HydrophobicContact CB-CD1 4.49Å; W145-L153 HydrophobicContact CD2-CD1 3.55Å; W145-L153 HydrophobicContact CE3-CB 4.32Å; W145-L153 HydrophobicContact CE3-CD1 3.94Å; W145-L153 HydrophobicContact CG-CD1 3.8Å; W145-L153 HydrophobicContact CZ2-CD1 4.27Å; W145-L153 HydrophobicContact CZ3-CB 4.41Å; W145-L153 HydrophobicContact CZ3-CD1 4.44Å; L153-W165 HydrophobicContact CB-CB 4.41Å; L153-W165 PolarHBondContact N-O 2.73Å; L153-W165 PolarHBondContact O-N 2.83Å |
| 154 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.5 | 173.4 | -77.7 | -125 | 0 | 0 | 0 | 109.6 | I143 E144 I152 V162 M163 I164 M191 F193 L200 A214 W389 | I143-F154 CarbonylContact C-O 3.59Å; I143-F154 VanDerWaalsContact CA-O 3.27Å; I143-F154 WeakPolarHBondContact CA-O 3.35Å; E144-F154 PolarHBondContact N-O 2.89Å; E144-F154 PolarHBondContact O-N 2.86Å; I152-F154 HydrophobicContact CG2-CD2 4.11Å; I152-F154 HydrophobicContact CG2-CE2 3.72Å; F154-V162 HydrophobicContact CD1-CG1 3.86Å; F154-M163 WeakPolarHBondContact CA-O 3.39Å; F154-I164 HydrophobicContact CD1-CG1 4Å; F154-I164 HydrophobicContact CD2-CG2 4.22Å; F154-I164 HydrophobicContact CE1-CD1 3.64Å; F154-I164 HydrophobicContact CE1-CG1 3.57Å; F154-I164 HydrophobicContact CE2-CB 4.46Å; F154-I164 HydrophobicContact CE2-CD1 4.29Å; F154-I164 HydrophobicContact CE2-CG1 4.14Å; F154-I164 HydrophobicContact CE2-CG2 3.75Å; F154-I164 HydrophobicContact CG-CG1 4.46Å; F154-I164 HydrophobicContact CZ-CB 4.44Å; F154-I164 HydrophobicContact CZ-CD1 3.5Å; F154-I164 HydrophobicContact CZ-CG1 3.67Å; F154-I164 HydrophobicContact CZ-CG2 4.04Å; F154-M191 HydrophobicContact CB-CE 4.35Å; F154-F193 HydrophobicContact CB-CZ 4.37Å; F154-F193 AromaticContact CD1-CZ 3.9Å; F154-F193 HydrophobicContact CD1-CZ 3.9Å; F154-F193 HydrophobicContact CD2-CE1 4.41Å; F154-F193 HydrophobicContact CD2-CE2 4.3Å; F154-F193 AromaticContact CD2-CZ 3.51Å; F154-F193 HydrophobicContact CD2-CZ 3.51Å; F154-F193 HydrophobicContact CE1-CE1 4.23Å; F154-F193 AromaticContact CE1-CZ 3.95Å; F154-F193 HydrophobicContact CE1-CZ 3.95Å; F154-F193 HydrophobicContact CE2-CE1 4.02Å; F154-F193 AromaticContact CE2-CZ 3.55Å; F154-F193 HydrophobicContact CE2-CZ 3.55Å; F154-F193 HydrophobicContact CG-CE2 4.36Å; F154-F193 AromaticContact CG-CZ 3.68Å; F154-F193 HydrophobicContact CG-CZ 3.68Å; F154-F193 AromaticContact CZ-CE1 3.91Å; F154-F193 HydrophobicContact CZ-CE1 3.91Å; F154-F193 AromaticContact CZ-CZ 3.76Å; F154-F193 HydrophobicContact CZ-CZ 3.76Å; F154-L200 HydrophobicContact CD1-CD2 3.89Å; F154-L200 HydrophobicContact CE1-CD2 3.88Å; F154-A214 WeakPolarHBondContact CE1-O 3.48Å; F154-A214 HydrophobicContact CZ-CB 4.29Å; F154-A214 WeakPolarHBondContact CZ-O 3.42Å; F154-W389 AromaticContact CE2-CH2 3.83Å; F154-W389 HydrophobicContact CE2-CH2 3.83Å; F154-W389 HydrophobicContact CE2-CZ2 4.4Å; F154-W389 AromaticContact CZ-CH2 3.79Å; F154-W389 HydrophobicContact CZ-CH2 3.79Å; F154-W389 HydrophobicContact CZ-CZ2 4.28Å |
| 155 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 148.6 | 172.7 | 66.6 | 0 | 0 | 0 | 0 | 111.3 | H136 I142 V162 M163 W165 | H136-S155 PolarHBondContact CD2-OG 3.29Å; H136-S155 PolarHBondContact NE2-O 3.3Å; H136-S155 PolarHBondContact NE2-OG 3.11Å; I142-S155 WeakPolarHBondContact O-CA 3.4Å; S155-V162 CarbonylContact O-C 3.54Å; S155-V162 WeakPolarHBondContact O-CA 3.37Å; S155-M163 PolarHBondContact N-O 2.92Å; S155-M163 PolarHBondContact O-N 3.17Å; S155-W165 PolarHBondContact OG-NE1 3.32Å |
| 156 | T | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.012 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.9 | 171 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | V140 G141 I142 Q161 V188 M191 | V140-T156 WeakPolarHBondContact CG1-O 3.48Å; G141-T156 PolarHBondContact N-O 2.92Å; I142-T156 HydrophobicContact CB-CG2 3.64Å; I142-T156 HydrophobicContact CD1-CG2 4.08Å; I142-T156 HydrophobicContact CG1-CG2 4.13Å; I142-T156 PolarHBondContact N-O 3.38Å; I142-T156 PolarHBondContact O-N 2.79Å; T156-Q161 WeakPolarHBondContact CA-O 3.26Å; T156-Q161 PolarHBondContact OG1-O 2.82Å; T156-V188 HydrophobicContact CG2-CB 3.93Å; T156-V188 HydrophobicContact CG2-CG1 3.98Å; T156-V188 WeakPolarHBondContact OG1-CB 3.16Å; T156-V188 WeakPolarHBondContact OG1-CG2 3.42Å; T156-M191 HydrophobicContact CG2-CE 3.84Å; T156-M191 HydrophobicContact CG2-CG 4.27Å; T156-M191 HydrophobicContact CG2-SD 3.79Å |
| 157 | A | 98.1 | Very high | 98.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 2% | 0.017 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 178.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H136 R139 V140 D159 Y160 | H136-A157 HydrophobicContact CB-CB 3.72Å; H136-A157 VanDerWaalsContact ND1-CB 3.27Å; H136-A157 WeakPolarHBondContact ND1-CB 3.31Å; R139-A157 VanDerWaalsContact O-CA 3.3Å; R139-A157 WeakPolarHBondContact O-CA 3.28Å; R139-A157 VanDerWaalsContact O-CB 3.22Å; R139-A157 WeakPolarHBondContact O-CB 3.27Å; V140-A157 HydrophobicContact CB-CB 4.35Å; V140-A157 HydrophobicContact CG2-CB 4.12Å; A157-D159 WeakPolarHBondContact CB-OD1 3.29Å; A157-D159 PolarHBondContact O-N 3.05Å; A157-D159 VanDerWaalsContact O-N 3.13Å; A157-Y160 PolarHBondContact O-N 2.78Å; A157-Y160 VanDerWaalsContact O-N 3.08Å |
| 158 | Y | 97.9 | Very high | 98.1 | Very high | 76 Ų | 76 | 19.1 Ų | 19.1 | 30% | 0.298 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 6.9 | 178 | -83.2 | -121.9 | 0 | 0 | 0 | 113.4 | R138 R139 Y160 V187 | R138-Y158 VanDerWaalsContact CD-C 3.42Å; R138-Y158 WeakPolarHBondContact CD-O 3.35Å; R138-Y158 PolarHBondContact NH1-O 2.87Å; R139-Y158 HydrophobicContact CG-CD1 4.3Å; R139-Y158 HydrophobicContact CG-CD2 3.42Å; R139-Y158 VanDerWaalsContact CG-CD2 3.42Å; R139-Y158 HydrophobicContact CG-CE2 3.93Å; R139-Y158 HydrophobicContact CG-CG 3.63Å; R139-Y158 PolarHBondContact O-N 3.39Å; Y158-Y160 VanDerWaalsContact C-N 3.3Å; Y158-Y160 WeakPolarHBondContact O-CE1 3.27Å; Y158-V187 HydrophobicContact CD1-CG2 3.82Å; Y158-V187 HydrophobicContact CD2-CG1 4.27Å; Y158-V187 HydrophobicContact CE1-CG1 4.5Å; Y158-V187 HydrophobicContact CE1-CG2 3.93Å; Y158-V187 HydrophobicContact CE2-CG1 3.98Å; Y158-V187 HydrophobicContact CG-CG2 4.18Å |
| 159 | D | 98 | Very high | 97.8 | Very high | 18 Ų | 18 | 20.8 Ų | 20.8 | 10% | 0.096 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 3.1 | 166.4 | 61.5 | 13.6 | 0 | 0 | 0 | 112.8 | H136 S137 R138 A157 Q161 | H136-D159 VanDerWaalsContact CA-OD2 3.24Å; H136-D159 WeakPolarHBondContact CA-OD2 3.38Å; H136-D159 WeakPolarHBondContact CB-OD2 3.47Å; H136-D159 IonicContact CE1-OD1 3.58Å; H136-D159 IonicContact CG-OD2 3.4Å; H136-D159 IonicContact ND1-OD1 2.76Å; H136-D159 PolarHBondContact ND1-OD1 3.14Å; H136-D159 IonicContact ND1-OD2 2.85Å; H136-D159 PolarHBondContact ND1-OD2 3.45Å; S137-D159 PolarHBondContact N-OD2 2.98Å; S137-D159 VanDerWaalsContact OG-CB 3.23Å; S137-D159 WeakPolarHBondContact OG-CB 3.32Å; S137-D159 PolarHBondContact OG-OD2 2.97Å; R138-D159 HydrophobicContact CB-CB 4.31Å; R138-D159 HydrophobicContact CG-CB 4.36Å; A157-D159 WeakPolarHBondContact CB-OD1 3.29Å; A157-D159 PolarHBondContact O-N 3.05Å; A157-D159 VanDerWaalsContact O-N 3.13Å; D159-Q161 PolarHBondContact O-N 3.02Å; D159-Q161 PolarHBondContact OD1-N 2.92Å |
| 160 | Y | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 27 Ų | 27 | 29% | 0.286 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 67.4 | 20.2 | 174.1 | -41.1 | -35.5 | 0 | 0 | 0 | 113.7 | A157 Y158 D186 V187 | A157-Y160 PolarHBondContact O-N 2.78Å; A157-Y160 VanDerWaalsContact O-N 3.08Å; Y158-Y160 VanDerWaalsContact C-N 3.3Å; Y158-Y160 WeakPolarHBondContact O-CE1 3.27Å; Y160-D186 WeakPolarHBondContact CD1-O 3.43Å; Y160-D186 VanDerWaalsContact CE1-C 3.49Å; Y160-V187 HydrophobicContact CD1-CG2 4.2Å; Y160-V187 VanDerWaalsContact CD1-N 3.27Å; Y160-V187 HydrophobicContact CE1-CB 4.38Å; Y160-V187 HydrophobicContact CE1-CG2 3.61Å; Y160-V187 VanDerWaalsContact CE1-N 3.3Å |
| 161 | Q | 98.1 | Very high | 97.5 | Very high | 44 Ų | 44 | 30.9 Ų | 30.9 | 21% | 0.206 | 16% | 0.159 | C | C | . | . | trans | -107.4 | 145.2 | 178.7 | -58 | -178.8 | 4.2 | 0 | 0 | 110.3 | H136 T156 D159 M163 T180 I181 K182 | H136-Q161 PolarHBondContact CE1-O 3.33Å; H136-Q161 VanDerWaalsContact CE1-O 3.31Å; T156-Q161 WeakPolarHBondContact CA-O 3.26Å; T156-Q161 PolarHBondContact OG1-O 2.82Å; D159-Q161 PolarHBondContact O-N 3.02Å; D159-Q161 PolarHBondContact OD1-N 2.92Å; Q161-M163 VanDerWaalsContact OE1-CE 3.3Å; Q161-T180 HydrophobicContact CB-CG2 3.98Å; Q161-T180 HydrophobicContact CG-CG2 4.22Å; Q161-I181 WeakPolarHBondContact CA-O 3.06Å; Q161-K182 HydrophobicContact CG-CG 4.15Å | ||
| 162 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126 | 163.6 | -175.2 | 0 | 0 | 0 | 0 | 107.6 | F154 S155 T180 I181 V188 M191 L200 | F154-V162 HydrophobicContact CD1-CG1 3.86Å; S155-V162 CarbonylContact O-C 3.54Å; S155-V162 WeakPolarHBondContact O-CA 3.37Å; V162-T180 CarbonylContact O-C 3.57Å; V162-T180 WeakPolarHBondContact O-CA 3.28Å; V162-I181 HydrophobicContact CB-CB 4.15Å; V162-I181 HydrophobicContact CB-CD1 4.34Å; V162-I181 HydrophobicContact CG1-CD1 4.4Å; V162-I181 PolarHBondContact N-O 3.45Å; V162-I181 VanDerWaalsContact N-O 3.09Å; V162-I181 PolarHBondContact O-N 3.36Å; V162-V188 HydrophobicContact CG2-CG2 4.33Å; V162-M191 HydrophobicContact CG1-SD 3.95Å; V162-M191 HydrophobicContact CG2-SD 4.47Å; V162-L200 HydrophobicContact CG1-CD2 4.38Å |
| 163 | M | 98.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.2 | 178.8 | -70.1 | -177.1 | -179.6 | 0 | 0 | 110.6 | F154 S155 Q161 W165 P177 R179 T180 | F154-M163 WeakPolarHBondContact CA-O 3.39Å; S155-M163 PolarHBondContact N-O 2.92Å; S155-M163 PolarHBondContact O-N 3.17Å; Q161-M163 VanDerWaalsContact OE1-CE 3.3Å; M163-W165 HydrophobicContact CB-CZ2 3.94Å; M163-W165 HydrophobicContact CG-CZ2 4.42Å; M163-W165 HydrophobicContact SD-CH2 4.16Å; M163-W165 HydrophobicContact SD-CZ2 3.63Å; M163-P177 HydrophobicContact CB-CB 3.94Å; M163-P177 HydrophobicContact CB-CG 4.33Å; M163-P177 HydrophobicContact CG-CB 4.23Å; M163-P177 HydrophobicContact CG-CG 4.06Å; M163-P177 HydrophobicContact SD-CB 4.41Å; M163-P177 HydrophobicContact SD-CG 3.93Å; M163-R179 WeakPolarHBondContact CA-O 3.21Å; M163-T180 HydrophobicContact CE-CG2 4.15Å; M163-T180 HydrophobicContact CG-CG2 4.2Å |
| 164 | I | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.2 | 176.1 | -49.2 | -176.8 | 0 | 0 | 0 | 108.5 | I152 F154 P177 V178 R179 I181 A214 R215 W389 | I152-I164 HydrophobicContact CG2-CG2 3.99Å; F154-I164 HydrophobicContact CD1-CG1 4Å; F154-I164 HydrophobicContact CD2-CG2 4.22Å; F154-I164 HydrophobicContact CE1-CD1 3.64Å; F154-I164 HydrophobicContact CE1-CG1 3.57Å; F154-I164 HydrophobicContact CE2-CB 4.46Å; F154-I164 HydrophobicContact CE2-CD1 4.29Å; F154-I164 HydrophobicContact CE2-CG1 4.14Å; F154-I164 HydrophobicContact CE2-CG2 3.75Å; F154-I164 HydrophobicContact CG-CG1 4.46Å; F154-I164 HydrophobicContact CZ-CB 4.44Å; F154-I164 HydrophobicContact CZ-CD1 3.5Å; F154-I164 HydrophobicContact CZ-CG1 3.67Å; F154-I164 HydrophobicContact CZ-CG2 4.04Å; I164-P177 CarbonylContact O-C 3.47Å; I164-P177 WeakPolarHBondContact O-CA 3.38Å; I164-P177 WeakPolarHBondContact O-CB 3.45Å; I164-V178 PolarHBondContact O-N 3.49Å; I164-R179 HydrophobicContact CB-CB 4.07Å; I164-R179 HydrophobicContact CD1-CB 3.7Å; I164-R179 HydrophobicContact CD1-CG 4.15Å; I164-R179 HydrophobicContact CG1-CB 3.92Å; I164-R179 PolarHBondContact N-O 2.77Å; I164-I181 HydrophobicContact CD1-CD1 4.48Å; I164-A214 WeakPolarHBondContact CD1-O 3.5Å; I164-R215 WeakPolarHBondContact CD1-O 3.27Å; I164-W389 HydrophobicContact CD1-CH2 4.46Å; I164-W389 HydrophobicContact CG2-CH2 4.2Å; I164-W389 HydrophobicContact CG2-CZ3 4.09Å |
| 165 | W | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.4 | -176.6 | -55 | 93.5 | 0 | 0 | 0 | 110.3 | L133 I152 L153 S155 M163 L167 I174 P177 | L133-W165 HydrophobicContact CB-CD2 3.89Å; L133-W165 HydrophobicContact CB-CE3 3.88Å; L133-W165 HydrophobicContact CB-CH2 4.01Å; L133-W165 HydrophobicContact CB-CZ2 4.02Å; L133-W165 HydrophobicContact CB-CZ3 3.94Å; L133-W165 HydrophobicContact CD1-CB 3.91Å; L133-W165 HydrophobicContact CD1-CD2 3.75Å; L133-W165 HydrophobicContact CD1-CE3 4.33Å; L133-W165 HydrophobicContact CD1-CG 3.52Å; L133-W165 HydrophobicContact CD2-CD2 4.26Å; L133-W165 HydrophobicContact CD2-CE3 4Å; L133-W165 HydrophobicContact CG-CD2 4.16Å; L133-W165 HydrophobicContact CG-CE3 4.27Å; L133-W165 HydrophobicContact CG-CG 4.4Å; I152-W165 WeakPolarHBondContact CA-O 3.5Å; L153-W165 HydrophobicContact CB-CB 4.41Å; L153-W165 PolarHBondContact N-O 2.73Å; L153-W165 PolarHBondContact O-N 2.83Å; S155-W165 PolarHBondContact OG-NE1 3.32Å; M163-W165 HydrophobicContact CB-CZ2 3.94Å; M163-W165 HydrophobicContact CG-CZ2 4.42Å; M163-W165 HydrophobicContact SD-CH2 4.16Å; M163-W165 HydrophobicContact SD-CZ2 3.63Å; W165-L167 HydrophobicContact CB-CD2 4.41Å; W165-I174 HydrophobicContact CE3-CB 4.39Å; W165-I174 HydrophobicContact CE3-CG2 3.82Å; W165-I174 HydrophobicContact CZ3-CB 4.45Å; W165-I174 HydrophobicContact CZ3-CG2 3.97Å; W165-I174 WeakPolarHBondContact CZ3-O 3.49Å; W165-P177 HydrophobicContact CD2-CB 4.16Å; W165-P177 HydrophobicContact CE3-CB 4.03Å; W165-P177 HydrophobicContact CH2-CB 4.09Å; W165-P177 HydrophobicContact CH2-CG 4.38Å; W165-P177 HydrophobicContact CZ2-CB 4.22Å; W165-P177 HydrophobicContact CZ3-CB 4Å |
| 166 | N | 97.9 | Very high | 97.2 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.1 | 165.1 | 179.4 | -3.2 | 0 | 0 | 0 | 108.4 | I152 D168 I174 V178 A386 L390 | I152-N166 HydrophobicContact CD1-CB 4.06Å; N166-D168 VanDerWaalsContact OD1-CB 3.3Å; N166-D168 WeakPolarHBondContact OD1-CB 3.34Å; N166-D168 PolarHBondContact OD1-N 2.61Å; N166-I174 WeakPolarHBondContact O-CD1 3.35Å; N166-V178 HydrophobicContact CB-CG2 3.59Å; N166-A386 WeakPolarHBondContact OD1-CB 3.5Å; N166-L390 HydrophobicContact CB-CD1 4.35Å |
| 167 | L | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -3.6 | -177.3 | -51.9 | 178.4 | 0 | 0 | 0 | 113.8 | V114 W130 K131 L133 W145 N151 W165 S169 I174 | V114-L167 HydrophobicContact CG1-CD1 4.48Å; V114-L167 HydrophobicContact CG2-CD1 4.04Å; V114-L167 HydrophobicContact CG2-CD2 4.29Å; W130-L167 HydrophobicContact CH2-CB 3.94Å; W130-L167 HydrophobicContact CZ3-CB 3.96Å; W130-L167 HydrophobicContact CZ3-CD1 4.05Å; K131-L167 VanDerWaalsContact CE-O 3.28Å; K131-L167 WeakPolarHBondContact CE-O 3.13Å; K131-L167 HydrophobicContact CG-CD2 4.46Å; L133-L167 HydrophobicContact CD1-CD2 4.16Å; L133-L167 HydrophobicContact CD2-CD2 3.71Å; L133-L167 HydrophobicContact CG-CD2 4.49Å; W145-L167 HydrophobicContact CH2-CD1 3.47Å; W145-L167 VanDerWaalsContact CH2-CD1 3.47Å; W145-L167 HydrophobicContact CZ3-CD1 3.49Å; W145-L167 VanDerWaalsContact CZ3-CD1 3.49Å; N151-L167 HydrophobicContact CB-CB 4Å; N151-L167 WeakPolarHBondContact O-CG 3.2Å; N151-L167 PolarHBondContact O-N 3.23Å; W165-L167 HydrophobicContact CB-CD2 4.41Å; L167-S169 PolarHBondContact O-N 2.95Å; L167-I174 HydrophobicContact CD2-CD1 4.17Å |
| 168 | D | 96.1 | Very high | 97 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -2.8 | 178.4 | -68.8 | -26.3 | 0 | 0 | 0 | 113.6 | N151 N166 A386 | N151-D168 PolarHBondContact ND2-OD1 2.69Å; N166-D168 VanDerWaalsContact OD1-CB 3.3Å; N166-D168 WeakPolarHBondContact OD1-CB 3.34Å; N166-D168 PolarHBondContact OD1-N 2.61Å; D168-A386 VanDerWaalsContact OD2-CB 3.27Å; D168-A386 WeakPolarHBondContact OD2-CB 3.4Å |
| 169 | S | 91.6 | Very high | 97 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -57.8 | 139.5 | 171.2 | 175.9 | 0 | 0 | 0 | 0 | 111 | K131 L167 E171 | K131-S169 PolarHBondContact NZ-O 2.98Å; L167-S169 PolarHBondContact O-N 2.95Å; S169-E171 PolarHBondContact O-N 3.37Å; S169-E171 PolarHBondContact OG-N 2.91Å |
| 170 | P | 93.3 | Very high | 97.1 | Very high | 130 Ų | 130 | 57.4 Ų | 57.4 | 84% | 0.844 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -67.4 | -22.5 | 174.1 | 28.1 | -34.9 | 0 | 0 | 0 | 112.6 | ||
| 171 | E | 95.7 | Very high | 97 | Very high | 127 Ų | 127 | 54.2 Ų | 54.2 | 59% | 0.593 | 28% | 0.283 | S | S | * | . | trans | -72.2 | 136.7 | -177.2 | -62.2 | -177.7 | 171.6 | 0 | 0 | 111.7 | K131 S169 V173 | K131-E171 WeakPolarHBondContact CD-O 3.49Å; K131-E171 PolarHBondContact NZ-O 2.84Å; S169-E171 PolarHBondContact O-N 3.37Å; S169-E171 PolarHBondContact OG-N 2.91Å; E171-V173 VanDerWaalsContact C-N 3.3Å | ||
| 172 | Q | 96.4 | Very high | 97 | Very high | 100 Ų | 100 | 59.1 Ų | 59.1 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -68.1 | -33.2 | 174.7 | -166.3 | -178.2 | 13.6 | 0 | 0 | 111.7 | P129 W130 K131 E132 | P129-Q172 PolarHBondContact O-NE2 3.05Å; W130-Q172 WeakPolarHBondContact O-CG 3.41Å; K131-Q172 CarbonylContact C-O 3.59Å; K131-Q172 VanDerWaalsContact CA-O 3.29Å; K131-Q172 WeakPolarHBondContact CA-O 3.13Å; E132-Q172 PolarHBondContact N-O 2.89Å |
| 173 | V | 98 | Very high | 96.8 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 113.4 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | E132 Q134 E171 K175 | E132-V173 HydrophobicContact CB-CG2 4.37Å; E132-V173 CarbonylContact O-C 3.55Å; E132-V173 VanDerWaalsContact O-CA 3.27Å; E132-V173 WeakPolarHBondContact O-CA 3.33Å; Q134-V173 HydrophobicContact CB-CG1 4.5Å; Q134-V173 HydrophobicContact CG-CG1 3.97Å; E171-V173 VanDerWaalsContact C-N 3.3Å; V173-K175 HydrophobicContact CG1-CG 4.18Å |
| 174 | I | 98.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114.8 | 179.3 | -56.7 | 169.1 | 0 | 0 | 0 | 107.9 | K131 E132 L133 Q134 W165 N166 L167 | K131-I174 HydrophobicContact CD-CD1 4.2Å; E132-I174 PolarHBondContact O-N 3.42Å; L133-I174 WeakPolarHBondContact CA-O 3.32Å; L133-I174 HydrophobicContact CD2-CB 3.83Å; L133-I174 HydrophobicContact CD2-CD1 3.74Å; L133-I174 HydrophobicContact CD2-CG1 4.17Å; Q134-I174 PolarHBondContact N-O 2.9Å; W165-I174 HydrophobicContact CE3-CB 4.39Å; W165-I174 HydrophobicContact CE3-CG2 3.82Å; W165-I174 HydrophobicContact CZ3-CB 4.45Å; W165-I174 HydrophobicContact CZ3-CG2 3.97Å; W165-I174 WeakPolarHBondContact CZ3-O 3.49Å; N166-I174 WeakPolarHBondContact O-CD1 3.35Å; L167-I174 HydrophobicContact CD2-CD1 4.17Å |
| 175 | K | 97.1 | Very high | 96.7 | Very high | 125 Ų | 125 | 68.2 Ų | 68.2 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | trans | -98.5 | -25.5 | -179.1 | -63.8 | -176 | 179 | 178.3 | 0 | 114 | Q134 V173 P177 | Q134-K175 HydrophobicContact CB-CG 4.26Å; Q134-K175 CarbonylContact O-C 3.51Å; Q134-K175 VanDerWaalsContact O-CA 3.24Å; Q134-K175 WeakPolarHBondContact O-CA 3.3Å; Q134-K175 VanDerWaalsContact O-O 3.13Å; V173-K175 HydrophobicContact CG1-CG 4.18Å; K175-P177 WeakPolarHBondContact O-CD 3.46Å | ||
| 176 | N | 94.5 | Very high | 96.7 | Very high | 138 Ų | 138 | 70 Ų | 70 | 74% | 0.738 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -106.7 | 105.6 | -175.8 | -62.3 | -36.4 | 0 | 0 | 0 | 108.8 | ||
| 177 | P | 97.2 | Very high | 96.6 | Very high | 29 Ų | 29 | 69.2 Ų | 69.2 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | trans | -64.9 | 149.9 | 169.6 | 30.6 | -36.1 | 0 | 0 | 0 | 109.4 | M163 I164 W165 K175 R179 T180 | M163-P177 HydrophobicContact CB-CB 3.94Å; M163-P177 HydrophobicContact CB-CG 4.33Å; M163-P177 HydrophobicContact CG-CB 4.23Å; M163-P177 HydrophobicContact CG-CG 4.06Å; M163-P177 HydrophobicContact SD-CB 4.41Å; M163-P177 HydrophobicContact SD-CG 3.93Å; I164-P177 CarbonylContact O-C 3.47Å; I164-P177 WeakPolarHBondContact O-CA 3.38Å; I164-P177 WeakPolarHBondContact O-CB 3.45Å; W165-P177 HydrophobicContact CD2-CB 4.16Å; W165-P177 HydrophobicContact CE3-CB 4.03Å; W165-P177 HydrophobicContact CH2-CB 4.09Å; W165-P177 HydrophobicContact CH2-CG 4.38Å; W165-P177 HydrophobicContact CZ2-CB 4.22Å; W165-P177 HydrophobicContact CZ3-CB 4Å; K175-P177 WeakPolarHBondContact O-CD 3.46Å; P177-R179 PolarHBondContact O-N 3.07Å; P177-T180 WeakPolarHBondContact CG-OG1 3.45Å | ||
| 178 | V | 97.3 | Very high | 96.7 | Very high | 72 Ų | 72 | 69.4 Ų | 69.4 | 44% | 0.436 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -63.5 | -34.8 | 177.2 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | I164 N166 L390 | I164-V178 PolarHBondContact O-N 3.49Å; N166-V178 HydrophobicContact CB-CG2 3.59Å; V178-L390 HydrophobicContact CG1-CD1 4.16Å; V178-L390 HydrophobicContact CG1-CD2 3.72Å; V178-L390 HydrophobicContact CG2-CD1 4.47Å |
| 179 | R | 97.7 | Very high | 96.7 | Very high | 122 Ų | 122 | 68.1 Ų | 68.1 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.9 | 176 | -167 | 81.6 | -66.2 | -121.1 | 1.1 | 111.4 | M163 I164 P177 I181 | M163-R179 WeakPolarHBondContact CA-O 3.21Å; I164-R179 HydrophobicContact CB-CB 4.07Å; I164-R179 HydrophobicContact CD1-CB 3.7Å; I164-R179 HydrophobicContact CD1-CG 4.15Å; I164-R179 HydrophobicContact CG1-CB 3.92Å; I164-R179 PolarHBondContact N-O 2.77Å; P177-R179 PolarHBondContact O-N 3.07Å; R179-I181 HydrophobicContact CG-CG1 4.37Å |
| 180 | T | 98.3 | Very high | 97 | Very high | 37 Ų | 37 | 67 Ų | 67 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 117.4 | 170.2 | -52.8 | 0 | 0 | 0 | 0 | 108.9 | Q161 V162 M163 P177 K182 | Q161-T180 HydrophobicContact CB-CG2 3.98Å; Q161-T180 HydrophobicContact CG-CG2 4.22Å; V162-T180 CarbonylContact O-C 3.57Å; V162-T180 WeakPolarHBondContact O-CA 3.28Å; M163-T180 HydrophobicContact CE-CG2 4.15Å; M163-T180 HydrophobicContact CG-CG2 4.2Å; P177-T180 WeakPolarHBondContact CG-OG1 3.45Å; T180-K182 HydrophobicContact CG2-CD 4.46Å; T180-K182 HydrophobicContact CG2-CG 3.99Å |
| 181 | I | 98.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.3 | 179.4 | -48.8 | 175.3 | 0 | 0 | 0 | 107.8 | Q161 V162 I164 R179 M212 | Q161-I181 WeakPolarHBondContact CA-O 3.06Å; V162-I181 HydrophobicContact CB-CB 4.15Å; V162-I181 HydrophobicContact CB-CD1 4.34Å; V162-I181 HydrophobicContact CG1-CD1 4.4Å; V162-I181 PolarHBondContact N-O 3.45Å; V162-I181 VanDerWaalsContact N-O 3.09Å; V162-I181 PolarHBondContact O-N 3.36Å; I164-I181 HydrophobicContact CD1-CD1 4.48Å; R179-I181 HydrophobicContact CG-CG1 4.37Å; I181-M212 HydrophobicContact CD1-SD 3.93Å; I181-M212 HydrophobicContact CG2-SD 4.02Å |
| 182 | K | 96.8 | Very high | 97.4 | Very high | 146 Ų | 146 | 55.6 Ų | 55.6 | 64% | 0.635 | 28% | 0.282 | S | S | * | . | trans | -124.2 | 35.4 | -171.4 | -57.9 | -172.4 | 179.2 | 178.3 | 0 | 112.9 | Q161 T180 | Q161-K182 HydrophobicContact CG-CG 4.15Å; T180-K182 HydrophobicContact CG2-CD 4.46Å; T180-K182 HydrophobicContact CG2-CG 3.99Å | ||
| 183 | H | 95.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 52 Ų | 52 | 40% | 0.398 | 27% | 0.265 | S | S | . | . | trans | -84.3 | -19.1 | -179.5 | -70.4 | -54.3 | 0 | 0 | 0 | 113.9 | G217 M219 | H183-G217 PolarHBondContact CD2-O 2.82Å; H183-G217 VanDerWaalsContact CD2-O 3.26Å; H183-G217 PolarHBondContact NE2-O 3.27Å; H183-G217 VanDerWaalsContact NE2-O 3.12Å; H183-M219 HydrophobicContact CB-CE 3.41Å; H183-M219 VanDerWaalsContact CB-CE 3.41Å | ||
| 184 | H | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | trans | -86.7 | 136.1 | -175.2 | -50.6 | 83.2 | 0 | 0 | 0 | 111.1 | V188 T202 | H184-V188 HydrophobicContact CB-CG2 4.06Å; H184-T202 PolarHBondContact NE2-OG1 2.65Å | ||
| 185 | T | 97.3 | Very high | 97.2 | Very high | 103 Ų | 103 | 52.1 Ų | 52.1 | 63% | 0.632 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -101.6 | -1.2 | 179.5 | 57 | 0 | 0 | 0 | 0 | 113.2 | D206 | T185-D206 PolarHBondContact OG1-OD2 2.77Š|
| 186 | D | 97.9 | Very high | 97.1 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -153.1 | -177.4 | 177.2 | -156.9 | -14.2 | 0 | 0 | 0 | 109.7 | Y160 V188 C204 R205 D206 | Y160-D186 WeakPolarHBondContact CD1-O 3.43Å; Y160-D186 VanDerWaalsContact CE1-C 3.49Å; D186-V188 PolarHBondContact O-N 2.85Å; D186-C204 PolarHBondContact O-SG 3.05Å; D186-R205 HydrophobicContact CB-CB 4.08Å; D186-R205 WeakPolarHBondContact OD2-CB 3.24Å; D186-R205 WeakPolarHBondContact OD2-CD 3.48Å; D186-R205 WeakPolarHBondContact OD2-CG 3.4Å; D186-D206 HydrophobicContact CB-CB 4.21Å |
| 187 | V | 97.2 | Very high | 97.2 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | trans | -58.1 | 126.1 | -175.9 | -177.1 | 0 | 0 | 0 | 0 | 111 | Y158 Y160 L189 C204 R205 | Y158-V187 HydrophobicContact CD1-CG2 3.82Å; Y158-V187 HydrophobicContact CD2-CG1 4.27Å; Y158-V187 HydrophobicContact CE1-CG1 4.5Å; Y158-V187 HydrophobicContact CE1-CG2 3.93Å; Y158-V187 HydrophobicContact CE2-CG1 3.98Å; Y158-V187 HydrophobicContact CG-CG2 4.18Å; Y160-V187 HydrophobicContact CD1-CG2 4.2Å; Y160-V187 VanDerWaalsContact CD1-N 3.27Å; Y160-V187 HydrophobicContact CE1-CB 4.38Å; Y160-V187 HydrophobicContact CE1-CG2 3.61Å; Y160-V187 VanDerWaalsContact CE1-N 3.3Å; V187-L189 HydrophobicContact CG1-CD2 4.3Å; V187-C204 WeakPolarHBondContact O-CA 3.48Å; V187-C204 PolarHBondContact O-SG 3.42Å; V187-R205 HydrophobicContact CB-CB 4.42Å; V187-R205 PolarHBondContact O-N 2.81Å | ||
| 188 | V | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.5 | 167.3 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | I142 T156 V162 H184 D186 M191 T202 T203 | I142-V188 WeakPolarHBondContact CD1-O 3.35Å; T156-V188 HydrophobicContact CG2-CB 3.93Å; T156-V188 HydrophobicContact CG2-CG1 3.98Å; T156-V188 WeakPolarHBondContact OG1-CB 3.16Å; T156-V188 WeakPolarHBondContact OG1-CG2 3.42Å; V162-V188 HydrophobicContact CG2-CG2 4.33Å; H184-V188 HydrophobicContact CB-CG2 4.06Å; D186-V188 PolarHBondContact O-N 2.85Å; V188-M191 HydrophobicContact CG1-CG 4.16Å; V188-T202 HydrophobicContact CG1-CG2 4.43Å; V188-T203 CarbonylContact C-O 3.53Å; V188-T203 WeakPolarHBondContact CA-O 3.43Å |
| 189 | L | 97.7 | Very high | 97.1 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 27% | 0.272 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -22.3 | -172.6 | -58.7 | 178.4 | 0 | 0 | 0 | 113.4 | I142 V187 T203 R205 S231 K232 | I142-L189 WeakPolarHBondContact CD1-O 3.29Å; V187-L189 HydrophobicContact CG1-CD2 4.3Å; L189-T203 PolarHBondContact N-O 3.27Å; L189-R205 HydrophobicContact CD1-CB 4.4Å; L189-R205 HydrophobicContact CD2-CB 4.39Å; L189-R205 HydrophobicContact CG-CB 4.48Å; L189-S231 VanDerWaalsContact CB-O 3.29Å; L189-S231 WeakPolarHBondContact CB-O 3.28Å; L189-K232 PolarHBondContact O-NZ 3.29Å; L189-K232 VanDerWaalsContact O-NZ 3.07Å |
| 190 | S | 98.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 33 Ų | 33 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 149.1 | -179.3 | -163.9 | 0 | 0 | 0 | 0 | 110.9 | T202 T203 V233 | S190-T202 VanDerWaalsContact O-CA 3.32Å; S190-T202 WeakPolarHBondContact O-CA 3.11Å; S190-T203 VanDerWaalsContact CB-OG1 3.23Å; S190-T203 WeakPolarHBondContact CB-OG1 2.94Å; S190-T203 PolarHBondContact N-OG1 2.94Å; S190-T203 PolarHBondContact O-N 2.99Å; S190-V233 PolarHBondContact OG-N 3.37Å |
| 191 | M | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.1 | 171.9 | -65.9 | -169.7 | -61.8 | 0 | 0 | 108.3 | I142 E144 F154 T156 V162 V188 L200 A201 T202 | I142-M191 HydrophobicContact CB-CE 4.18Å; I142-M191 HydrophobicContact CG2-CE 3.76Å; E144-M191 HydrophobicContact CB-CE 4.26Å; E144-M191 HydrophobicContact CG-CB 4.06Å; E144-M191 HydrophobicContact CG-CE 4.12Å; F154-M191 HydrophobicContact CB-CE 4.35Å; T156-M191 HydrophobicContact CG2-CE 3.84Å; T156-M191 HydrophobicContact CG2-CG 4.27Å; T156-M191 HydrophobicContact CG2-SD 3.79Å; V162-M191 HydrophobicContact CG1-SD 3.95Å; V162-M191 HydrophobicContact CG2-SD 4.47Å; V188-M191 HydrophobicContact CG1-CG 4.16Å; M191-L200 HydrophobicContact CB-CD1 4.17Å; M191-A201 CarbonylContact C-O 3.44Å; M191-A201 WeakPolarHBondContact CA-O 3Å; M191-T202 HydrophobicContact CG-CG2 4.14Å |
| 192 | S | 97.9 | Very high | 97.2 | Very high | 13 Ų | 13 | 31 Ų | 31 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 129.3 | 173.3 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | A201 V233 L234 I235 | S192-A201 PolarHBondContact N-O 3.35Å; S192-A201 PolarHBondContact O-N 2.81Å; S192-V233 VanDerWaalsContact CB-O 3.31Å; S192-V233 WeakPolarHBondContact CB-O 3.44Å; S192-L234 WeakPolarHBondContact OG-CA 3.42Å; S192-I235 WeakPolarHBondContact O-CD1 3.37Å; S192-I235 PolarHBondContact OG-N 3.29Å |
| 193 | F | 97.7 | Very high | 97.2 | Very high | 25 Ų | 25 | 24 Ų | 24 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 153.9 | 170.9 | -71.9 | -79.1 | 0 | 0 | 0 | 111.6 | E144 H146 P147 F154 L199 L200 A214 | E144-F193 HydrophobicContact CB-CD2 4.46Å; E144-F193 HydrophobicContact CB-CE2 4.01Å; H146-F193 AromaticContact CD2-CE1 3.94Å; P147-F193 HydrophobicContact CG-CB 3.88Å; P147-F193 HydrophobicContact CG-CG 4.23Å; F154-F193 HydrophobicContact CB-CZ 4.37Å; F154-F193 AromaticContact CD1-CZ 3.9Å; F154-F193 HydrophobicContact CD1-CZ 3.9Å; F154-F193 HydrophobicContact CD2-CE1 4.41Å; F154-F193 HydrophobicContact CD2-CE2 4.3Å; F154-F193 AromaticContact CD2-CZ 3.51Å; F154-F193 HydrophobicContact CD2-CZ 3.51Å; F154-F193 HydrophobicContact CE1-CE1 4.23Å; F154-F193 AromaticContact CE1-CZ 3.95Å; F154-F193 HydrophobicContact CE1-CZ 3.95Å; F154-F193 HydrophobicContact CE2-CE1 4.02Å; F154-F193 AromaticContact CE2-CZ 3.55Å; F154-F193 HydrophobicContact CE2-CZ 3.55Å; F154-F193 HydrophobicContact CG-CE2 4.36Å; F154-F193 AromaticContact CG-CZ 3.68Å; F154-F193 HydrophobicContact CG-CZ 3.68Å; F154-F193 AromaticContact CZ-CE1 3.91Å; F154-F193 HydrophobicContact CZ-CE1 3.91Å; F154-F193 AromaticContact CZ-CZ 3.76Å; F154-F193 HydrophobicContact CZ-CZ 3.76Å; F193-L199 WeakPolarHBondContact CA-O 3.3Å; F193-L200 HydrophobicContact CD1-CD1 4.18Å; F193-L200 HydrophobicContact CD2-CD1 4.38Å; F193-L200 HydrophobicContact CE1-CB 4.4Å; F193-L200 HydrophobicContact CE1-CD1 3.96Å; F193-L200 HydrophobicContact CE2-CD1 4.16Å; F193-L200 HydrophobicContact CG-CD1 4.37Å; F193-L200 HydrophobicContact CZ-CD1 3.93Å; F193-A214 HydrophobicContact CD1-CB 4.43Å; F193-A214 HydrophobicContact CE1-CB 3.95Å |
| 194 | N | 96.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 20 Ų | 20 | 9% | 0.091 | 11% | 0.114 | C | C | . | . | trans | -76.4 | 176.5 | 160.2 | 71.4 | -25.8 | 0 | 0 | 0 | 110.5 | D196 G197 S198 L199 I235 | N194-D196 VanDerWaalsContact C-N 3.33Å; N194-D196 PolarHBondContact ND2-OD1 2.6Å; N194-D196 PolarHBondContact O-N 3.37Å; N194-D196 PolarHBondContact OD1-OD1 2.86Å; N194-D196 VanDerWaalsContact OD1-OD1 3.08Å; N194-G197 PolarHBondContact O-N 3.28Å; N194-G197 WeakPolarHBondContact OD1-CA 3.35Å; N194-G197 PolarHBondContact OD1-N 3.38Å; N194-S198 PolarHBondContact ND2-OG 2.93Å; N194-S198 VanDerWaalsContact ND2-OG 3.08Å; N194-S198 PolarHBondContact OD1-N 3.24Å; N194-S198 VanDerWaalsContact OD1-N 3.07Å; N194-L199 HydrophobicContact CB-CB 4.17Å; N194-L199 PolarHBondContact N-O 2.86Å; N194-L199 PolarHBondContact OD1-N 2.97Å; N194-L199 PolarHBondContact OD1-O 3.28Å; N194-I235 HydrophobicContact CB-CB 4.34Å; N194-I235 HydrophobicContact CB-CD1 4.05Å; N194-I235 HydrophobicContact CB-CG2 3.78Å | ||
| 195 | T | 94.4 | Very high | 97.2 | Very high | 42 Ų | 42 | 27 Ų | 27 | 26% | 0.258 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -39.6 | -172.5 | -41.4 | 0 | 0 | 0 | 0 | 113.8 | T148 G237 N238 P397 | T148-T195 WeakPolarHBondContact CG2-O 3.2Å; T195-G237 WeakPolarHBondContact OG1-CA 3.36Å; T195-N238 PolarHBondContact OG1-OD1 2.85Å; T195-P397 HydrophobicContact CG2-CG 4.04Å |
| 196 | D | 95 | Very high | 97.2 | Very high | 47 Ų | 47 | 23.8 Ų | 23.8 | 25% | 0.251 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.4 | -176.6 | 63.9 | 13.9 | 0 | 0 | 0 | 113.9 | T148 N194 S198 | T148-D196 WeakPolarHBondContact CG2-O 3.41Å; T148-D196 PolarHBondContact OG1-O 3.07Å; N194-D196 VanDerWaalsContact C-N 3.33Å; N194-D196 PolarHBondContact ND2-OD1 2.6Å; N194-D196 PolarHBondContact O-N 3.37Å; N194-D196 PolarHBondContact OD1-OD1 2.86Å; N194-D196 VanDerWaalsContact OD1-OD1 3.08Å; D196-S198 VanDerWaalsContact C-N 3.34Å; D196-S198 VanDerWaalsContact OD1-CB 3.3Å; D196-S198 WeakPolarHBondContact OD1-CB 3.07Å; D196-S198 PolarHBondContact OD1-N 2.98Å; D196-S198 PolarHBondContact OD1-OG 3.31Å; D196-S198 PolarHBondContact OD2-OG 2.92Å |
| 197 | G | 95.9 | Very high | 97 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 81.7 | 4.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H146 N194 L199 A214 | H146-G197 WeakPolarHBondContact NE2-CA 3.41Å; H146-G197 PolarHBondContact NE2-O 2.83Å; H146-G197 VanDerWaalsContact NE2-O 3.11Å; N194-G197 PolarHBondContact O-N 3.28Å; N194-G197 WeakPolarHBondContact OD1-CA 3.35Å; N194-G197 PolarHBondContact OD1-N 3.38Å; G197-L199 VanDerWaalsContact C-N 3.33Å; G197-A214 WeakPolarHBondContact O-CB 3.45Å |
| 198 | S | 96.7 | Very high | 97 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -72.6 | -24.7 | 178.5 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | N194 D196 A214 | N194-S198 PolarHBondContact ND2-OG 2.93Å; N194-S198 VanDerWaalsContact ND2-OG 3.08Å; N194-S198 PolarHBondContact OD1-N 3.24Å; N194-S198 VanDerWaalsContact OD1-N 3.07Å; D196-S198 VanDerWaalsContact C-N 3.34Å; D196-S198 VanDerWaalsContact OD1-CB 3.3Å; D196-S198 WeakPolarHBondContact OD1-CB 3.07Å; D196-S198 PolarHBondContact OD1-N 2.98Å; D196-S198 PolarHBondContact OD1-OG 3.31Å; D196-S198 PolarHBondContact OD2-OG 2.92Å; S198-A214 WeakPolarHBondContact O-CB 3.48Å; S198-A214 PolarHBondContact O-N 2.84Å |
| 199 | L | 97.3 | Very high | 96.9 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 12% | 0.115 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.7 | -177.9 | -60.3 | 178.5 | 0 | 0 | 0 | 111.9 | F193 N194 G197 L211 L220 I235 | F193-L199 WeakPolarHBondContact CA-O 3.3Å; N194-L199 HydrophobicContact CB-CB 4.17Å; N194-L199 PolarHBondContact N-O 2.86Å; N194-L199 PolarHBondContact OD1-N 2.97Å; N194-L199 PolarHBondContact OD1-O 3.28Å; G197-L199 VanDerWaalsContact C-N 3.33Å; L199-L211 HydrophobicContact CB-CD1 4.13Å; L199-L211 HydrophobicContact CD1-CD1 4.43Å; L199-L220 HydrophobicContact CD2-CD1 3.46Å; L199-L220 VanDerWaalsContact CD2-CD1 3.46Å; L199-I235 HydrophobicContact CB-CD1 4.21Å |
| 200 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 123.4 | 173.9 | -178.6 | 69.9 | 0 | 0 | 0 | 109.8 | F154 V162 M191 F193 T202 M212 A214 | F154-L200 HydrophobicContact CD1-CD2 3.89Å; F154-L200 HydrophobicContact CE1-CD2 3.88Å; V162-L200 HydrophobicContact CG1-CD2 4.38Å; M191-L200 HydrophobicContact CB-CD1 4.17Å; F193-L200 HydrophobicContact CD1-CD1 4.18Å; F193-L200 HydrophobicContact CD2-CD1 4.38Å; F193-L200 HydrophobicContact CE1-CB 4.4Å; F193-L200 HydrophobicContact CE1-CD1 3.96Å; F193-L200 HydrophobicContact CE2-CD1 4.16Å; F193-L200 HydrophobicContact CG-CD1 4.37Å; F193-L200 HydrophobicContact CZ-CD1 3.93Å; L200-T202 HydrophobicContact CD2-CG2 4.08Å; L200-T202 HydrophobicContact CG-CG2 4.05Å; L200-M212 HydrophobicContact CB-CG 3.96Å; L200-M212 HydrophobicContact CD2-CG 4.39Å; L200-M212 HydrophobicContact CD2-SD 4.1Å; L200-M212 HydrophobicContact CG-CG 4.49Å; L200-M212 PolarHBondContact N-O 3.01Å; L200-M212 WeakPolarHBondContact O-CG 3.37Å; L200-M212 PolarHBondContact O-N 2.81Å; L200-A214 HydrophobicContact CB-CB 4.24Å |
| 201 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 139.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | M191 S192 R210 L211 V233 I235 | M191-A201 CarbonylContact C-O 3.44Å; M191-A201 WeakPolarHBondContact CA-O 3Å; S192-A201 PolarHBondContact N-O 3.35Å; S192-A201 PolarHBondContact O-N 2.81Å; A201-R210 CarbonylContact C-O 3.59Å; A201-R210 VanDerWaalsContact CA-O 3.3Å; A201-R210 WeakPolarHBondContact CA-O 3.31Å; A201-L211 HydrophobicContact CB-CD1 4.3Å; A201-V233 HydrophobicContact CB-CG1 4.22Å; A201-V233 HydrophobicContact CB-CG2 3.75Å; A201-I235 HydrophobicContact CB-CD1 3.7Å; A201-I235 HydrophobicContact CB-CG1 3.53Å |
| 202 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.1 | 176.7 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | H184 V188 S190 M191 L200 I209 R210 M212 | H184-T202 PolarHBondContact NE2-OG1 2.65Å; V188-T202 HydrophobicContact CG1-CG2 4.43Å; S190-T202 VanDerWaalsContact O-CA 3.32Å; S190-T202 WeakPolarHBondContact O-CA 3.11Å; M191-T202 HydrophobicContact CG-CG2 4.14Å; L200-T202 HydrophobicContact CD2-CG2 4.08Å; L200-T202 HydrophobicContact CG-CG2 4.05Å; T202-I209 WeakPolarHBondContact O-CA 3.32Å; T202-R210 PolarHBondContact N-O 3.38Å; T202-R210 PolarHBondContact O-N 2.64Å; T202-M212 HydrophobicContact CG2-CE 4.12Å |
| 203 | T | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 146 | 165.3 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | V188 L189 S190 I209 A230 S231 V233 T244 | V188-T203 CarbonylContact C-O 3.53Å; V188-T203 WeakPolarHBondContact CA-O 3.43Å; L189-T203 PolarHBondContact N-O 3.27Å; S190-T203 VanDerWaalsContact CB-OG1 3.23Å; S190-T203 WeakPolarHBondContact CB-OG1 2.94Å; S190-T203 PolarHBondContact N-OG1 2.94Å; S190-T203 PolarHBondContact O-N 2.99Å; T203-I209 HydrophobicContact CG2-CG1 4.09Å; T203-A230 HydrophobicContact CG2-CB 3.6Å; T203-S231 PolarHBondContact OG1-O 2.94Å; T203-S231 VanDerWaalsContact OG1-O 3.06Å; T203-V233 HydrophobicContact CG2-CB 3.72Å; T203-V233 HydrophobicContact CG2-CG1 4.15Å; T203-T244 HydrophobicContact CG2-CG2 4.37Å |
| 204 | C | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.9 | -177 | 179 | 0 | 0 | 0 | 0 | 111.1 | D186 V187 D206 R207 K208 | D186-C204 PolarHBondContact O-SG 3.05Å; V187-C204 WeakPolarHBondContact O-CA 3.48Å; V187-C204 PolarHBondContact O-SG 3.42Å; C204-D206 WeakPolarHBondContact CB-OD1 3.29Å; C204-D206 PolarHBondContact O-N 3.48Å; C204-D206 PolarHBondContact SG-OD1 3.07Å; C204-D206 VanDerWaalsContact SG-OD1 3.35Å; C204-R207 WeakPolarHBondContact O-CA 3.45Å; C204-R207 PolarHBondContact O-N 2.76Å; C204-K208 PolarHBondContact N-O 3.46Å; C204-K208 VanDerWaalsContact N-O 3.16Å |
| 205 | R | 96.2 | Very high | 96.9 | Very high | 159 Ų | 159 | 29.6 Ų | 29.6 | 60% | 0.6 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.5 | 178.5 | -173.1 | 177.1 | -176.7 | 161.2 | 1.8 | 113.2 | D186 V187 L189 R207 | D186-R205 HydrophobicContact CB-CB 4.08Å; D186-R205 WeakPolarHBondContact OD2-CB 3.24Å; D186-R205 WeakPolarHBondContact OD2-CD 3.48Å; D186-R205 WeakPolarHBondContact OD2-CG 3.4Å; V187-R205 HydrophobicContact CB-CB 4.42Å; V187-R205 PolarHBondContact O-N 2.81Å; L189-R205 HydrophobicContact CD1-CB 4.4Å; L189-R205 HydrophobicContact CD2-CB 4.39Å; L189-R205 HydrophobicContact CG-CB 4.48Å; R205-R207 PolarHBondContact O-N 3.02Å; R205-R207 VanDerWaalsContact O-N 3.11Å |
| 206 | D | 95.6 | Very high | 97 | Very high | 35 Ų | 35 | 29.5 Ų | 29.5 | 19% | 0.187 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -0.2 | 167.9 | 73.2 | -0.9 | 0 | 0 | 0 | 114 | T185 D186 C204 K208 R210 | T185-D206 PolarHBondContact OG1-OD2 2.77Å; D186-D206 HydrophobicContact CB-CB 4.21Å; C204-D206 WeakPolarHBondContact CB-OD1 3.29Å; C204-D206 PolarHBondContact O-N 3.48Å; C204-D206 PolarHBondContact SG-OD1 3.07Å; C204-D206 VanDerWaalsContact SG-OD1 3.35Å; D206-K208 VanDerWaalsContact C-N 3.33Å; D206-K208 WeakPolarHBondContact OD1-CB 3.19Å; D206-K208 PolarHBondContact OD1-N 2.79Å; D206-R210 IonicContact OD1-NH1 2.92Å; D206-R210 PolarHBondContact OD1-NH1 3.22Å; D206-R210 IonicContact OD2-CZ 3.39Å; D206-R210 IonicContact OD2-NH1 3.72Å; D206-R210 PolarHBondContact OD2-NH1 3.46Å; D206-R210 IonicContact OD2-NH2 3.24Å; D206-R210 PolarHBondContact OD2-NH2 2.8Å |
| 207 | R | 94.8 | Very high | 97 | Very high | 148 Ų | 148 | 27.4 Ų | 27.4 | 56% | 0.558 | 12% | 0.121 | S | C | * | . | S | Bend | trans | 72 | 19.7 | 178.5 | -47 | 179 | -174.6 | 175.4 | 4.1 | 114.5 | C204 R205 | C204-R207 WeakPolarHBondContact O-CA 3.45Å; C204-R207 PolarHBondContact O-N 2.76Å; R205-R207 PolarHBondContact O-N 3.02Å; R205-R207 VanDerWaalsContact O-N 3.11Å |
| 208 | K | 96.1 | Very high | 97.1 | Very high | 68 Ų | 68 | 32.2 Ų | 32.2 | 30% | 0.296 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.7 | 175.8 | -64.2 | 173.1 | 166.2 | -162.5 | 0 | 111.7 | C204 D206 R210 E222 G223 | C204-K208 PolarHBondContact N-O 3.46Å; C204-K208 VanDerWaalsContact N-O 3.16Å; D206-K208 VanDerWaalsContact C-N 3.33Å; D206-K208 WeakPolarHBondContact OD1-CB 3.19Å; D206-K208 PolarHBondContact OD1-N 2.79Å; K208-R210 VanDerWaalsContact CD-NH2 3.29Å; K208-E222 HydrophobicContact CB-CG 4.39Å; K208-E222 HydrophobicContact CD-CG 4.17Å; K208-E222 WeakPolarHBondContact CE-OE1 3.22Å; K208-E222 IonicContact NZ-OE1 3.06Å; K208-E222 PolarHBondContact NZ-OE1 3.01Å; K208-E222 IonicContact NZ-OE2 2.74Å; K208-G223 CarbonylContact C-O 3.58Å; K208-G223 VanDerWaalsContact CA-O 3.31Å; K208-G223 WeakPolarHBondContact CA-O 3.33Å |
| 209 | I | 97.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.2 | 168.6 | -56.7 | 157.5 | 0 | 0 | 0 | 106.2 | T202 T203 E222 G223 A230 T244 W258 L263 | T202-I209 WeakPolarHBondContact O-CA 3.32Å; T203-I209 HydrophobicContact CG2-CG1 4.09Å; I209-E222 WeakPolarHBondContact O-CA 3.43Å; I209-G223 PolarHBondContact N-O 3.37Å; I209-G223 PolarHBondContact O-N 3.2Å; I209-A230 HydrophobicContact CD1-CB 4.24Å; I209-A230 HydrophobicContact CG1-CB 4.05Å; I209-T244 HydrophobicContact CD1-CG2 3.69Å; I209-T244 HydrophobicContact CG1-CG2 4.12Å; I209-W258 HydrophobicContact CD1-CD2 4.31Å; I209-W258 HydrophobicContact CD1-CH2 4.46Å; I209-W258 HydrophobicContact CD1-CZ2 3.64Å; I209-L263 HydrophobicContact CG2-CD1 4.18Å |
| 210 | R | 97.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.8 | -177.8 | -71.2 | 170.1 | 176.5 | 103 | -7.9 | 109.9 | A201 T202 D206 K208 M212 M219 Q221 E222 | A201-R210 CarbonylContact C-O 3.59Å; A201-R210 VanDerWaalsContact CA-O 3.3Å; A201-R210 WeakPolarHBondContact CA-O 3.31Å; T202-R210 PolarHBondContact N-O 3.38Å; T202-R210 PolarHBondContact O-N 2.64Å; D206-R210 IonicContact OD1-NH1 2.92Å; D206-R210 PolarHBondContact OD1-NH1 3.22Å; D206-R210 IonicContact OD2-CZ 3.39Å; D206-R210 IonicContact OD2-NH1 3.72Å; D206-R210 PolarHBondContact OD2-NH1 3.46Å; D206-R210 IonicContact OD2-NH2 3.24Å; D206-R210 PolarHBondContact OD2-NH2 2.8Å; K208-R210 VanDerWaalsContact CD-NH2 3.29Å; R210-M212 HydrophobicContact CB-CE 3.84Å; R210-M219 HydrophobicContact CB-CE 4.2Å; R210-M219 HydrophobicContact CB-SD 3.65Å; R210-M219 HydrophobicContact CG-CE 3.76Å; R210-M219 HydrophobicContact CG-SD 3.67Å; R210-Q221 WeakPolarHBondContact CA-O 3.27Å; R210-E222 HydrophobicContact CG-CG 4.07Å; R210-E222 IonicContact CZ-OE2 3.66Å; R210-E222 IonicContact NE-OE2 3.24Å; R210-E222 PolarHBondContact NE-OE2 2.82Å; R210-E222 IonicContact NH2-OE2 2.68Å; R210-E222 PolarHBondContact NH2-OE2 2.79Å |
| 211 | L | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.1 | 168.2 | -175 | 67.4 | 0 | 0 | 0 | 107.9 | L199 A201 L220 Q221 I235 I242 Q260 L263 | L199-L211 HydrophobicContact CB-CD1 4.13Å; L199-L211 HydrophobicContact CD1-CD1 4.43Å; A201-L211 HydrophobicContact CB-CD1 4.3Å; L211-L220 PolarHBondContact O-N 3.31Å; L211-Q221 HydrophobicContact CB-CB 4.11Å; L211-Q221 PolarHBondContact N-O 3.32Å; L211-Q221 PolarHBondContact O-N 2.82Å; L211-Q221 VanDerWaalsContact O-N 3.08Å; L211-I235 HydrophobicContact CD1-CD1 3.9Å; L211-I242 HydrophobicContact CD1-CD1 4.08Å; L211-I242 HydrophobicContact CD2-CD1 4.3Å; L211-Q260 HydrophobicContact CD2-CG 3.59Å; L211-Q260 WeakPolarHBondContact CD2-O 3.16Å; L211-L263 HydrophobicContact CB-CD1 4.36Å |
| 212 | M | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154.6 | -179.3 | 62.5 | -160.9 | 70.3 | 0 | 0 | 110.9 | I181 L200 T202 R210 A214 N218 | I181-M212 HydrophobicContact CD1-SD 3.93Å; I181-M212 HydrophobicContact CG2-SD 4.02Å; L200-M212 HydrophobicContact CB-CG 3.96Å; L200-M212 HydrophobicContact CD2-CG 4.39Å; L200-M212 HydrophobicContact CD2-SD 4.1Å; L200-M212 HydrophobicContact CG-CG 4.49Å; L200-M212 PolarHBondContact N-O 3.01Å; L200-M212 WeakPolarHBondContact O-CG 3.37Å; L200-M212 PolarHBondContact O-N 2.81Å; T202-M212 HydrophobicContact CG2-CE 4.12Å; R210-M212 HydrophobicContact CB-CE 3.84Å; M212-A214 PolarHBondContact O-N 2.82Å; M212-N218 CarbonylContact C-O 3.6Å; M212-N218 VanDerWaalsContact CA-O 3.22Å; M212-N218 WeakPolarHBondContact CA-O 3.36Å; M212-N218 VanDerWaalsContact CB-O 3.3Å; M212-N218 WeakPolarHBondContact CB-O 3.35Å |
| 213 | E | 97.7 | Very high | 96.5 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 16% | 0.164 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 127.1 | 166.2 | -166.8 | -83.7 | 165.1 | 0 | 0 | 108.3 | R215 S216 G217 N218 L220 | E213-R215 PolarHBondContact O-N 2.84Å; E213-R215 IonicContact OE1-CZ 2.72Å; E213-R215 IonicContact OE1-NE 3.54Å; E213-R215 PolarHBondContact OE1-NE 2.82Å; E213-R215 IonicContact OE1-NH2 3.07Å; E213-R215 PolarHBondContact OE1-NH2 3.31Å; E213-R215 PolarHBondContact OE2-N 3.08Å; E213-S216 WeakPolarHBondContact OE2-CA 3.44Å; E213-S216 WeakPolarHBondContact OE2-CB 3.46Å; E213-S216 PolarHBondContact OE2-N 2.8Å; E213-S216 PolarHBondContact OE2-OG 2.75Å; E213-G217 VanDerWaalsContact O-CA 3.23Å; E213-G217 WeakPolarHBondContact O-CA 3.49Å; E213-G217 PolarHBondContact O-N 3.41Å; E213-N218 PolarHBondContact N-O 2.67Å; E213-L220 HydrophobicContact CB-CD1 4.43Å |
| 214 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -35.1 | -163.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F154 I164 F193 G197 S198 L200 M212 W389 | F154-A214 WeakPolarHBondContact CE1-O 3.48Å; F154-A214 HydrophobicContact CZ-CB 4.29Å; F154-A214 WeakPolarHBondContact CZ-O 3.42Å; I164-A214 WeakPolarHBondContact CD1-O 3.5Å; F193-A214 HydrophobicContact CD1-CB 4.43Å; F193-A214 HydrophobicContact CE1-CB 3.95Å; G197-A214 WeakPolarHBondContact O-CB 3.45Å; S198-A214 WeakPolarHBondContact O-CB 3.48Å; S198-A214 PolarHBondContact O-N 2.84Å; L200-A214 HydrophobicContact CB-CB 4.24Å; M212-A214 PolarHBondContact O-N 2.82Å; A214-W389 HydrophobicContact CB-CZ2 4.12Å |
| 215 | R | 96.3 | Very high | 95.2 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -53.7 | -175.1 | -69 | 173.2 | -65.8 | -143.3 | -8.1 | 112.8 | I164 E213 W389 G392 V393 D394 | I164-R215 WeakPolarHBondContact CD1-O 3.27Å; E213-R215 PolarHBondContact O-N 2.84Å; E213-R215 IonicContact OE1-CZ 2.72Å; E213-R215 IonicContact OE1-NE 3.54Å; E213-R215 PolarHBondContact OE1-NE 2.82Å; E213-R215 IonicContact OE1-NH2 3.07Å; E213-R215 PolarHBondContact OE1-NH2 3.31Å; E213-R215 PolarHBondContact OE2-N 3.08Å; R215-W389 HydrophobicContact CB-CH2 4.2Å; R215-W389 HydrophobicContact CB-CZ2 4.18Å; R215-W389 WeakPolarHBondContact CD-O 3.03Å; R215-W389 HydrophobicContact CG-CD2 3.68Å; R215-W389 HydrophobicContact CG-CE3 3.96Å; R215-W389 HydrophobicContact CG-CG 4.46Å; R215-W389 HydrophobicContact CG-CH2 3.44Å; R215-W389 VanDerWaalsContact CG-CH2 3.44Å; R215-W389 HydrophobicContact CG-CZ2 3.11Å; R215-W389 HydrophobicContact CG-CZ3 3.84Å; R215-W389 PolarHBondContact NH1-O 3.46Å; R215-G392 PolarHBondContact NH1-O 2.81Å; R215-V393 VanDerWaalsContact NH1-C 3.35Å; R215-V393 PolarHBondContact NH1-O 2.96Å; R215-V393 VanDerWaalsContact NH1-O 3.13Å; R215-D394 IonicContact CZ-OD1 2.69Å; R215-D394 IonicContact CZ-OD2 3.2Å; R215-D394 IonicContact NH1-OD1 3.28Å; R215-D394 PolarHBondContact NH1-OD1 3.46Å; R215-D394 IonicContact NH1-OD2 2.79Å; R215-D394 VanDerWaalsContact NH2-CG 3.28Å; R215-D394 IonicContact NH2-OD1 3.37Å; R215-D394 PolarHBondContact NH2-OD1 2.73Å; R215-D394 IonicContact NH2-OD2 3.3Å; R215-D394 PolarHBondContact NH2-OD2 3.27Å |
| 216 | S | 96.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 51.8 Ų | 51.8 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -30.1 | -177.5 | 66 | 0 | 0 | 0 | 0 | 111.7 | E213 N218 | E213-S216 WeakPolarHBondContact OE2-CA 3.44Å; E213-S216 WeakPolarHBondContact OE2-CB 3.46Å; E213-S216 PolarHBondContact OE2-N 2.8Å; E213-S216 PolarHBondContact OE2-OG 2.75Å; S216-N218 VanDerWaalsContact OG-CB 3.3Å; S216-N218 WeakPolarHBondContact OG-CB 3.42Å; S216-N218 PolarHBondContact OG-N 2.72Å; S216-N218 VanDerWaalsContact OG-N 3.07Å; S216-N218 PolarHBondContact OG-ND2 3.25Å |
| 217 | G | 95.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | trans | 76 | 10.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H183 E213 M219 | H183-G217 PolarHBondContact CD2-O 2.82Å; H183-G217 VanDerWaalsContact CD2-O 3.26Å; H183-G217 PolarHBondContact NE2-O 3.27Å; H183-G217 VanDerWaalsContact NE2-O 3.12Å; E213-G217 VanDerWaalsContact O-CA 3.23Å; E213-G217 WeakPolarHBondContact O-CA 3.49Å; E213-G217 PolarHBondContact O-N 3.41Å; G217-M219 PolarHBondContact O-N 3.29Å | ||
| 218 | N | 97.1 | Very high | 93.9 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | trans | -61.4 | 124 | 178.6 | -72.6 | -19.6 | 0 | 0 | 0 | 110.1 | M212 E213 S216 L220 | M212-N218 CarbonylContact C-O 3.6Å; M212-N218 VanDerWaalsContact CA-O 3.22Å; M212-N218 WeakPolarHBondContact CA-O 3.36Å; M212-N218 VanDerWaalsContact CB-O 3.3Å; M212-N218 WeakPolarHBondContact CB-O 3.35Å; E213-N218 PolarHBondContact N-O 2.67Å; S216-N218 VanDerWaalsContact OG-CB 3.3Å; S216-N218 WeakPolarHBondContact OG-CB 3.42Å; S216-N218 PolarHBondContact OG-N 2.72Å; S216-N218 VanDerWaalsContact OG-N 3.07Å; S216-N218 PolarHBondContact OG-ND2 3.25Å; N218-L220 PolarHBondContact O-N 2.85Å | ||
| 219 | M | 97.2 | Very high | 93.8 | Very high | 57 Ų | 57 | 45.8 Ų | 45.8 | 28% | 0.281 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 124.2 | 175.9 | -166.1 | 73.7 | 72.4 | 0 | 0 | 110.5 | H183 R210 G217 | H183-M219 HydrophobicContact CB-CE 3.41Å; H183-M219 VanDerWaalsContact CB-CE 3.41Å; R210-M219 HydrophobicContact CB-CE 4.2Å; R210-M219 HydrophobicContact CB-SD 3.65Å; R210-M219 HydrophobicContact CG-CE 3.76Å; R210-M219 HydrophobicContact CG-SD 3.67Å; G217-M219 PolarHBondContact O-N 3.29Å |
| 220 | L | 96.7 | Very high | 93.7 | Very high | 89 Ų | 89 | 46 Ų | 46 | 47% | 0.466 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -47.7 | 175.6 | -59.3 | 177.9 | 0 | 0 | 0 | 111 | L199 L211 E213 N218 | L199-L220 HydrophobicContact CD2-CD1 3.46Å; L199-L220 VanDerWaalsContact CD2-CD1 3.46Å; L211-L220 PolarHBondContact O-N 3.31Å; E213-L220 HydrophobicContact CB-CD1 4.43Å; N218-L220 PolarHBondContact O-N 2.85Å |
| 221 | Q | 95.9 | Very high | 93.6 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 33% | 0.327 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 143.8 | 178.7 | -64.1 | -66.1 | -16.2 | 0 | 0 | 110.5 | R210 L211 D261 L263 | R210-Q221 WeakPolarHBondContact CA-O 3.27Å; L211-Q221 HydrophobicContact CB-CB 4.11Å; L211-Q221 PolarHBondContact N-O 3.32Å; L211-Q221 PolarHBondContact O-N 2.82Å; L211-Q221 VanDerWaalsContact O-N 3.08Å; Q221-D261 PolarHBondContact NE2-O 2.87Å; Q221-L263 HydrophobicContact CB-CB 4.4Å; Q221-L263 HydrophobicContact CB-CD1 3.68Å; Q221-L263 HydrophobicContact CB-CG 3.93Å |
| 222 | E | 95.4 | Very high | 93.6 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 42% | 0.416 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 117.1 | 170.2 | -175.2 | 176.7 | 97.1 | 0 | 0 | 108.9 | K208 I209 R210 | K208-E222 HydrophobicContact CB-CG 4.39Å; K208-E222 HydrophobicContact CD-CG 4.17Å; K208-E222 WeakPolarHBondContact CE-OE1 3.22Å; K208-E222 IonicContact NZ-OE1 3.06Å; K208-E222 PolarHBondContact NZ-OE1 3.01Å; K208-E222 IonicContact NZ-OE2 2.74Å; I209-E222 WeakPolarHBondContact O-CA 3.43Å; R210-E222 HydrophobicContact CG-CG 4.07Å; R210-E222 IonicContact CZ-OE2 3.66Å; R210-E222 IonicContact NE-OE2 3.24Å; R210-E222 PolarHBondContact NE-OE2 2.82Å; R210-E222 IonicContact NH2-OE2 2.68Å; R210-E222 PolarHBondContact NH2-OE2 2.79Å |
| 223 | G | 91.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K208 I209 | K208-G223 CarbonylContact C-O 3.58Å; K208-G223 VanDerWaalsContact CA-O 3.31Å; K208-G223 WeakPolarHBondContact CA-O 3.33Å; I209-G223 PolarHBondContact N-O 3.37Å; I209-G223 PolarHBondContact O-N 3.2Å |
| 224 | S | 88.1 | Confident | 93.6 | Very high | 79 Ų | 79 | 47.7 Ų | 47.7 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133.5 | 166.3 | 72.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 225 | C | 79.4 | Confident | 93.6 | Very high | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.108 | 25% | 0.25 | C | C | . | . | trans | -108.7 | 120.2 | 178.6 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | T227 H228 W258 | C225-T227 VanDerWaalsContact C-N 3.26Å; C225-T227 PolarHBondContact O-N 2.85Å; C225-T227 PolarHBondContact SG-OG1 3.25Å; C225-H228 HydrophobicContact CB-CB 3.78Å; C225-H228 VanDerWaalsContact O-O 3.13Å; C225-H228 VanDerWaalsContact SG-CB 3.55Å; C225-H228 PolarHBondContact SG-N 2.75Å; C225-H228 VanDerWaalsContact SG-N 3.44Å; C225-W258 HydrophobicContact CB-CH2 3.65Å; C225-W258 HydrophobicContact CB-CZ2 3.95Å | ||
| 226 | K | 82.3 | Confident | 93.5 | Very high | 206 Ų | 206 | 46.3 Ų | 46.3 | 90% | 0.896 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -68.2 | -30.6 | 176.2 | -68.4 | -176.9 | -178.7 | 175.4 | 0 | 111.9 | ||
| 227 | T | 85.9 | Confident | 92.6 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -87.8 | -22.3 | -177.2 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | C225 S248 R249 E269 | C225-T227 VanDerWaalsContact C-N 3.26Å; C225-T227 PolarHBondContact O-N 2.85Å; C225-T227 PolarHBondContact SG-OG1 3.25Å; T227-S248 CarbonylContact O-C 3.56Å; T227-S248 VanDerWaalsContact O-C 3.3Å; T227-S248 WeakPolarHBondContact O-CA 3.21Å; T227-R249 PolarHBondContact O-N 2.8Å; T227-E269 PolarHBondContact OG1-OE2 2.94Å |
| 228 | H | 91.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 117.9 | -173.7 | -177.3 | 69.4 | 0 | 0 | 0 | 113 | C225 A230 T244 G246 Q254 V256 | C225-H228 HydrophobicContact CB-CB 3.78Å; C225-H228 VanDerWaalsContact O-O 3.13Å; C225-H228 VanDerWaalsContact SG-CB 3.55Å; C225-H228 PolarHBondContact SG-N 2.75Å; C225-H228 VanDerWaalsContact SG-N 3.44Å; H228-A230 PolarHBondContact O-N 2.81Å; H228-T244 PolarHBondContact CD2-OG1 2.82Å; H228-T244 PolarHBondContact NE2-OG1 2.83Å; H228-G246 PolarHBondContact CE1-N 2.86Å; H228-Q254 PolarHBondContact CE1-O 2.68Å; H228-Q254 PolarHBondContact ND1-OE1 3.43Å; H228-V256 HydrophobicContact CB-CG2 3.81Å; H228-V256 VanDerWaalsContact CG-CG2 3.42Å |
| 229 | K | 94.2 | Very high | 91.2 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 32% | 0.317 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 92 | 170.5 | -62.5 | 172.4 | -171.4 | 163.2 | 0 | 108.6 | S231 G246 T247 | K229-S231 PolarHBondContact O-N 3.42Å; K229-G246 WeakPolarHBondContact O-CA 3.38Å; K229-T247 PolarHBondContact N-O 2.78Å; K229-T247 PolarHBondContact O-N 2.79Å; K229-T247 VanDerWaalsContact O-N 3.07Å |
| 230 | A | 95.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 126.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T203 I209 H228 T244 | T203-A230 HydrophobicContact CG2-CB 3.6Å; I209-A230 HydrophobicContact CD1-CB 4.24Å; I209-A230 HydrophobicContact CG1-CB 4.05Å; H228-A230 PolarHBondContact O-N 2.81Å; A230-T244 HydrophobicContact CB-CG2 4.18Å |
| 231 | S | 95.8 | Very high | 90.8 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -43.2 | 178.1 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | L189 T203 K229 S245 | L189-S231 VanDerWaalsContact CB-O 3.29Å; L189-S231 WeakPolarHBondContact CB-O 3.28Å; T203-S231 PolarHBondContact OG1-O 2.94Å; T203-S231 VanDerWaalsContact OG1-O 3.06Å; K229-S231 PolarHBondContact O-N 3.42Å; S231-S245 PolarHBondContact N-O 3.38Å |
| 232 | K | 97.3 | Very high | 90.9 | Very high | 16 Ų | 16 | 44 Ų | 44 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 151.7 | 172.7 | -58.3 | -62.6 | -175 | -165.9 | 0 | 111.4 | D42 L189 T244 S245 P281 | D42-K232 WeakPolarHBondContact O-CE 3.23Å; D42-K232 PolarHBondContact O-NZ 3.31Å; L189-K232 PolarHBondContact O-NZ 3.29Å; L189-K232 VanDerWaalsContact O-NZ 3.07Å; K232-T244 VanDerWaalsContact O-CA 3.25Å; K232-T244 WeakPolarHBondContact O-CA 3.47Å; K232-S245 WeakPolarHBondContact CB-OG 3.31Å; K232-S245 PolarHBondContact N-O 2.88Å; K232-S245 PolarHBondContact O-N 3.44Å; K232-P281 HydrophobicContact CB-CG 3.95Å |
| 233 | V | 97.8 | Very high | 91 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.8 | 176.3 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | S190 S192 A201 T203 I242 F243 T244 | S190-V233 PolarHBondContact OG-N 3.37Å; S192-V233 VanDerWaalsContact CB-O 3.31Å; S192-V233 WeakPolarHBondContact CB-O 3.44Å; A201-V233 HydrophobicContact CB-CG1 4.22Å; A201-V233 HydrophobicContact CB-CG2 3.75Å; T203-V233 HydrophobicContact CG2-CB 3.72Å; T203-V233 HydrophobicContact CG2-CG1 4.15Å; V233-I242 HydrophobicContact CG2-CG2 3.46Å; V233-I242 VanDerWaalsContact CG2-CG2 3.46Å; V233-F243 CarbonylContact C-O 3.53Å; V233-F243 WeakPolarHBondContact CA-O 3.5Å; V233-T244 HydrophobicContact CB-CG2 4.22Å; V233-T244 HydrophobicContact CG2-CG2 3.96Å |
| 234 | L | 97.6 | Very high | 91.3 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.1 | 168.9 | -64.5 | 179.3 | 0 | 0 | 0 | 109.4 | S192 L236 I242 F243 P281 L290 | S192-L234 WeakPolarHBondContact OG-CA 3.42Å; L234-L236 HydrophobicContact CB-CD2 4.34Å; L234-I242 WeakPolarHBondContact O-CA 3.44Å; L234-F243 HydrophobicContact CB-CB 4.41Å; L234-F243 PolarHBondContact N-O 2.89Å; L234-F243 PolarHBondContact O-N 2.99Å; L234-P281 HydrophobicContact CD1-CB 3.57Å; L234-P281 HydrophobicContact CD1-CG 3.73Å; L234-P281 HydrophobicContact CG-CB 4.24Å; L234-P281 HydrophobicContact CG-CG 3.85Å; L234-L290 HydrophobicContact CD1-CD1 4.28Å |
| 235 | I | 96.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 122.6 | 161.7 | -55.4 | -179.5 | 0 | 0 | 0 | 107.2 | S192 N194 L199 A201 L211 G237 I242 | S192-I235 WeakPolarHBondContact O-CD1 3.37Å; S192-I235 PolarHBondContact OG-N 3.29Å; N194-I235 HydrophobicContact CB-CB 4.34Å; N194-I235 HydrophobicContact CB-CD1 4.05Å; N194-I235 HydrophobicContact CB-CG2 3.78Å; L199-I235 HydrophobicContact CB-CD1 4.21Å; A201-I235 HydrophobicContact CB-CD1 3.7Å; A201-I235 HydrophobicContact CB-CG1 3.53Å; L211-I235 HydrophobicContact CD1-CD1 3.9Å; I235-G237 PolarHBondContact O-N 2.97Å; I235-I242 HydrophobicContact CG1-CG1 4.37Å |
| 236 | L | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -82.5 | 65.4 | -178.8 | -58.3 | -175 | 0 | 0 | 0 | 110.6 | L234 N238 M239 M241 F243 L257 Y283 I305 | L234-L236 HydrophobicContact CB-CD2 4.34Å; L236-N238 PolarHBondContact O-N 2.87Å; L236-M239 HydrophobicContact CB-CB 4.46Å; L236-M239 VanDerWaalsContact O-CB 3.3Å; L236-M239 WeakPolarHBondContact O-CB 3.37Å; L236-M239 PolarHBondContact O-N 3.29Å; L236-M241 HydrophobicContact CB-CB 4.26Å; L236-M241 WeakPolarHBondContact CB-O 3.44Å; L236-M241 HydrophobicContact CD1-CB 4.09Å; L236-M241 HydrophobicContact CG-CB 4.49Å; L236-M241 PolarHBondContact N-O 3.21Å; L236-F243 HydrophobicContact CD1-CB 4.06Å; L236-F243 HydrophobicContact CD2-CB 3.92Å; L236-F243 HydrophobicContact CG-CB 4.01Å; L236-L257 HydrophobicContact CD1-CD2 3.77Å; L236-Y283 HydrophobicContact CB-CE1 4.35Å; L236-Y283 HydrophobicContact CD2-CD1 4.01Å; L236-Y283 HydrophobicContact CD2-CD2 3.75Å; L236-Y283 HydrophobicContact CD2-CE1 4.39Å; L236-Y283 HydrophobicContact CD2-CE2 4.13Å; L236-Y283 HydrophobicContact CD2-CG 3.66Å; L236-I305 HydrophobicContact CD1-CG2 3.98Å | ||
| 237 | G | 78.6 | Confident | 93.1 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 11% | 0.113 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | 39.5 | -126.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T195 I235 M239 | T195-G237 WeakPolarHBondContact OG1-CA 3.36Å; I235-G237 PolarHBondContact O-N 2.97Å; G237-M239 PolarHBondContact O-N 3.1Å |
| 238 | N | 75.4 | Confident | 93.5 | Very high | 143 Ų | 143 | 25.1 Ų | 25.1 | 77% | 0.765 | 13% | 0.132 | S | C | * | . | G | 310 helix | trans | -80.3 | 2.6 | -176.3 | -59.6 | -3.4 | 0 | 0 | 0 | 113.8 | T195 L236 K240 | T195-N238 PolarHBondContact OG1-OD1 2.85Å; L236-N238 PolarHBondContact O-N 2.87Å; N238-K240 PolarHBondContact O-N 2.86Å |
| 239 | M | 88.1 | Confident | 93.4 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 17% | 0.172 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -78.7 | -5.1 | -178.7 | -60.6 | -179.6 | 139.9 | 0 | 0 | 112.9 | L236 G237 M241 Y283 H288 I305 | L236-M239 HydrophobicContact CB-CB 4.46Å; L236-M239 VanDerWaalsContact O-CB 3.3Å; L236-M239 WeakPolarHBondContact O-CB 3.37Å; L236-M239 PolarHBondContact O-N 3.29Å; G237-M239 PolarHBondContact O-N 3.1Å; M239-M241 HydrophobicContact CB-CG 4.43Å; M239-M241 HydrophobicContact CB-SD 4.49Å; M239-M241 WeakPolarHBondContact O-CG 3.49Å; M239-M241 PolarHBondContact O-N 2.84Å; M239-Y283 PolarHBondContact SD-OH 3.41Å; M239-H288 HydrophobicContact CE-CB 3.95Å; M239-I305 HydrophobicContact CE-CG2 4.24Å; M239-I305 WeakPolarHBondContact CE-O 3.47Å; M239-I305 HydrophobicContact SD-CB 4.21Å; M239-I305 HydrophobicContact SD-CG2 3.56Å; M239-I305 VanDerWaalsContact SD-CG2 3.56Å |
| 240 | K | 90.5 | Very high | 93.2 | Very high | 115 Ų | 115 | 37 Ų | 37 | 50% | 0.5 | 18% | 0.176 | S | C | . | . | trans | 52.6 | 38.2 | -173.9 | -63.6 | -172.9 | 163 | -154.2 | 0 | 112.9 | N238 Q260 D261 | N238-K240 PolarHBondContact O-N 2.86Å; K240-Q260 VanDerWaalsContact C-CB 3.48Å; K240-Q260 HydrophobicContact CB-CB 4.29Å; K240-Q260 WeakPolarHBondContact O-CB 3.18Å; K240-Q260 PolarHBondContact O-N 3.42Å; K240-D261 IonicContact NZ-OD2 2.75Å; K240-D261 PolarHBondContact NZ-OD2 3.47Å | ||
| 241 | M | 95.1 | Very high | 93 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 149.1 | 178.5 | -66 | 176 | 87 | 0 | 0 | 109.9 | L236 M239 L257 W258 L267 Y311 | L236-M241 HydrophobicContact CB-CB 4.26Å; L236-M241 WeakPolarHBondContact CB-O 3.44Å; L236-M241 HydrophobicContact CD1-CB 4.09Å; L236-M241 HydrophobicContact CG-CB 4.49Å; L236-M241 PolarHBondContact N-O 3.21Å; M239-M241 HydrophobicContact CB-CG 4.43Å; M239-M241 HydrophobicContact CB-SD 4.49Å; M239-M241 WeakPolarHBondContact O-CG 3.49Å; M239-M241 PolarHBondContact O-N 2.84Å; M241-L257 HydrophobicContact CE-CB 4.19Å; M241-L257 HydrophobicContact CE-CD1 4.02Å; M241-L257 HydrophobicContact CE-CD2 4.25Å; M241-L257 HydrophobicContact CE-CG 4.41Å; M241-W258 WeakPolarHBondContact CA-O 3.45Å; M241-L267 HydrophobicContact CE-CD1 3.6Å; M241-L267 HydrophobicContact CG-CD1 4.39Å; M241-Y311 HydrophobicContact CE-CD1 3.88Å; M241-Y311 HydrophobicContact CE-CE1 4.5Å; M241-Y311 HydrophobicContact CE-CG 3.99Å |
| 242 | I | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.8 | 172.9 | -63.5 | 171.9 | 0 | 0 | 0 | 108 | L211 V233 L234 I235 T244 L257 W258 Q260 L263 | L211-I242 HydrophobicContact CD1-CD1 4.08Å; L211-I242 HydrophobicContact CD2-CD1 4.3Å; V233-I242 HydrophobicContact CG2-CG2 3.46Å; V233-I242 VanDerWaalsContact CG2-CG2 3.46Å; L234-I242 WeakPolarHBondContact O-CA 3.44Å; I235-I242 HydrophobicContact CG1-CG1 4.37Å; I242-T244 HydrophobicContact CG2-CG2 4.36Å; I242-L257 WeakPolarHBondContact O-CA 3.41Å; I242-W258 HydrophobicContact CB-CB 4.15Å; I242-W258 PolarHBondContact N-O 3.46Å; I242-W258 PolarHBondContact O-N 2.81Å; I242-Q260 HydrophobicContact CD1-CB 4.41Å; I242-Q260 HydrophobicContact CD1-CG 4.24Å; I242-Q260 HydrophobicContact CG1-CB 4.35Å; I242-Q260 HydrophobicContact CG1-CG 4.47Å; I242-L263 HydrophobicContact CD1-CD2 4.07Å |
| 243 | F | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.6 | 175.2 | 179.3 | -85.2 | 0 | 0 | 0 | 109.6 | V233 L234 L236 F255 L257 P281 L290 L292 | V233-F243 CarbonylContact C-O 3.53Å; V233-F243 WeakPolarHBondContact CA-O 3.5Å; L234-F243 HydrophobicContact CB-CB 4.41Å; L234-F243 PolarHBondContact N-O 2.89Å; L234-F243 PolarHBondContact O-N 2.99Å; L236-F243 HydrophobicContact CD1-CB 4.06Å; L236-F243 HydrophobicContact CD2-CB 3.92Å; L236-F243 HydrophobicContact CG-CB 4.01Å; F243-F255 HydrophobicContact CD2-CD2 4.38Å; F243-F255 HydrophobicContact CE1-CB 4.17Å; F243-F255 HydrophobicContact CE2-CB 3.63Å; F243-F255 AromaticContact CE2-CD2 3.46Å; F243-F255 HydrophobicContact CE2-CD2 3.46Å; F243-F255 VanDerWaalsContact CE2-CD2 3.46Å; F243-F255 HydrophobicContact CE2-CE2 4.27Å; F243-F255 AromaticContact CE2-CG 3.66Å; F243-F255 HydrophobicContact CE2-CG 3.66Å; F243-F255 HydrophobicContact CZ-CB 3.3Å; F243-F255 HydrophobicContact CZ-CD2 4.04Å; F243-F255 AromaticContact CZ-CG 3.72Å; F243-F255 HydrophobicContact CZ-CG 3.72Å; F243-L257 HydrophobicContact CB-CD2 4.03Å; F243-L257 HydrophobicContact CD2-CD2 3.64Å; F243-L257 HydrophobicContact CD2-CG 4.27Å; F243-L257 HydrophobicContact CG-CD2 4.33Å; F243-P281 HydrophobicContact CD1-CB 3.85Å; F243-P281 HydrophobicContact CD1-CG 4.18Å; F243-P281 HydrophobicContact CE1-CB 3.51Å; F243-P281 HydrophobicContact CE1-CG 4.05Å; F243-P281 HydrophobicContact CZ-CB 4.5Å; F243-L290 HydrophobicContact CD2-CD2 3.71Å; F243-L290 HydrophobicContact CE1-CD2 4.34Å; F243-L290 HydrophobicContact CE2-CD2 3.33Å; F243-L290 HydrophobicContact CG-CD2 4.35Å; F243-L290 HydrophobicContact CZ-CD2 3.69Å; F243-L292 HydrophobicContact CE1-CD2 3.93Å; F243-L292 HydrophobicContact CZ-CD1 4.25Å; F243-L292 HydrophobicContact CZ-CD2 3.69Å |
| 244 | T | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.5 | 170.8 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | T203 I209 H228 A230 K232 V233 I242 F255 V256 W258 | T203-T244 HydrophobicContact CG2-CG2 4.37Å; I209-T244 HydrophobicContact CD1-CG2 3.69Å; I209-T244 HydrophobicContact CG1-CG2 4.12Å; H228-T244 PolarHBondContact CD2-OG1 2.82Å; H228-T244 PolarHBondContact NE2-OG1 2.83Å; A230-T244 HydrophobicContact CB-CG2 4.18Å; K232-T244 VanDerWaalsContact O-CA 3.25Å; K232-T244 WeakPolarHBondContact O-CA 3.47Å; V233-T244 HydrophobicContact CB-CG2 4.22Å; V233-T244 HydrophobicContact CG2-CG2 3.96Å; I242-T244 HydrophobicContact CG2-CG2 4.36Å; T244-F255 CarbonylContact O-C 3.48Å; T244-F255 WeakPolarHBondContact O-CA 3.35Å; T244-F255 WeakPolarHBondContact O-CB 3.37Å; T244-V256 PolarHBondContact N-O 3.41Å; T244-V256 PolarHBondContact O-N 2.85Å; T244-V256 PolarHBondContact OG1-O 2.85Å; T244-W258 PolarHBondContact OG1-NE1 3.29Å |
| 245 | S | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 146.4 | 167.4 | 72.1 | 0 | 0 | 0 | 0 | 110.1 | S231 K232 L279 | S231-S245 PolarHBondContact N-O 3.38Å; K232-S245 WeakPolarHBondContact CB-OG 3.31Å; K232-S245 PolarHBondContact N-O 2.88Å; K232-S245 PolarHBondContact O-N 3.44Å; S245-L279 PolarHBondContact OG-O 2.77Å |
| 246 | G | 95.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | -154.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H228 K229 Q254 | H228-G246 PolarHBondContact CE1-N 2.86Å; K229-G246 WeakPolarHBondContact O-CA 3.38Å; G246-Q254 CarbonylContact C-O 3.58Å; G246-Q254 PolarHBondContact N-O 2.74Å; G246-Q254 PolarHBondContact O-N 3.07Å; G246-Q254 VanDerWaalsContact O-O 3.09Å |
| 247 | T | 95.1 | Very high | 92.8 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 23% | 0.233 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.9 | 177.7 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | K229 S252 | K229-T247 PolarHBondContact N-O 2.78Å; K229-T247 PolarHBondContact O-N 2.79Å; K229-T247 VanDerWaalsContact O-N 3.07Å; T247-S252 CarbonylContact C-O 3.52Å; T247-S252 WeakPolarHBondContact CA-O 3.48Å |
| 248 | S | 94.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 173.6 | 175.2 | 81.8 | 0 | 0 | 0 | 0 | 111.3 | T227 Y250 N251 S252 | T227-S248 CarbonylContact O-C 3.56Å; T227-S248 VanDerWaalsContact O-C 3.3Å; T227-S248 WeakPolarHBondContact O-CA 3.21Å; S248-Y250 PolarHBondContact O-N 2.75Å; S248-Y250 VanDerWaalsContact O-N 3.14Å; S248-Y250 PolarHBondContact OG-N 3.14Å; S248-N251 PolarHBondContact O-N 2.84Å; S248-S252 WeakPolarHBondContact CB-OG 3.18Å; S248-S252 PolarHBondContact N-O 2.96Å; S248-S252 PolarHBondContact OG-N 2.68Å; S248-S252 PolarHBondContact OG-OG 2.91Å |
| 249 | R | 90.4 | Very high | 94.5 | Very high | 153 Ų | 153 | 34.3 Ų | 34.3 | 58% | 0.577 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.7 | 169.8 | 69 | 177.5 | -70.2 | -174.2 | 0.6 | 113.9 | T227 | T227-R249 PolarHBondContact O-N 2.8Š|
| 250 | Y | 90.3 | Very high | 94.8 | Very high | 171 Ų | 171 | 33.6 Ų | 33.6 | 67% | 0.671 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 14 | 179.9 | -57.7 | -69.3 | 0 | 0 | 0 | 112.3 | S248 S252 | S248-Y250 PolarHBondContact O-N 2.75Å; S248-Y250 VanDerWaalsContact O-N 3.14Å; S248-Y250 PolarHBondContact OG-N 3.14Å; Y250-S252 PolarHBondContact O-N 2.83Å; Y250-S252 VanDerWaalsContact O-N 3.17Å |
| 251 | N | 90.1 | Very high | 94.9 | Very high | 106 Ų | 106 | 32.2 Ų | 32.2 | 57% | 0.567 | 15% | 0.153 | S | C | * | . | S | Bend | trans | 58.7 | 20.1 | -176.9 | -59.4 | -34.5 | 0 | 0 | 0 | 114.4 | S248 | S248-N251 PolarHBondContact O-N 2.84Š|
| 252 | S | 94.5 | Very high | 94.8 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 15% | 0.154 | 17% | 0.167 | C | C | . | . | trans | -75.7 | 146.8 | 163.4 | 57 | 0 | 0 | 0 | 0 | 109.5 | T247 S248 Y250 Q254 N271 D273 | T247-S252 CarbonylContact C-O 3.52Å; T247-S252 WeakPolarHBondContact CA-O 3.48Å; S248-S252 WeakPolarHBondContact CB-OG 3.18Å; S248-S252 PolarHBondContact N-O 2.96Å; S248-S252 PolarHBondContact OG-N 2.68Å; S248-S252 PolarHBondContact OG-OG 2.91Å; Y250-S252 PolarHBondContact O-N 2.83Å; Y250-S252 VanDerWaalsContact O-N 3.17Å; S252-Q254 PolarHBondContact O-N 2.79Å; S252-N271 PolarHBondContact OG-OD1 2.97Å; S252-D273 CarbonylContact C-O 3.59Å; S252-D273 WeakPolarHBondContact CA-O 3.3Å; S252-D273 WeakPolarHBondContact CB-O 3.1Å | ||
| 253 | R | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 133.4 | 172.1 | -49.4 | -167.7 | -66.7 | -176 | -10.4 | 108.7 | L272 D273 S275 G277 L279 D297 | R253-L272 PolarHBondContact O-N 3.43Å; R253-D273 IonicContact CZ-OD1 3.17Å; R253-D273 VanDerWaalsContact CZ-OD1 3.24Å; R253-D273 IonicContact CZ-OD2 3.83Å; R253-D273 PolarHBondContact N-O 2.77Å; R253-D273 IonicContact NE-OD1 3.63Å; R253-D273 PolarHBondContact NE-OD1 2.76Å; R253-D273 IonicContact NE-OD2 3.03Å; R253-D273 VanDerWaalsContact NH2-CG 3.29Å; R253-D273 IonicContact NH2-OD1 3.65Å; R253-D273 PolarHBondContact NH2-OD1 3.36Å; R253-D273 IonicContact NH2-OD2 2.65Å; R253-D273 PolarHBondContact NH2-OD2 3.33Å; R253-S275 WeakPolarHBondContact CD-O 3.36Å; R253-S275 WeakPolarHBondContact CG-O 3.21Å; R253-G277 WeakPolarHBondContact CD-O 3.38Å; R253-G277 PolarHBondContact NH1-O 3.47Å; R253-L279 HydrophobicContact CB-CD1 3.69Å; R253-L279 HydrophobicContact CB-CG 4.18Å; R253-D297 IonicContact CZ-OD1 3.26Å; R253-D297 IonicContact CZ-OD2 2.71Å; R253-D297 IonicContact NH1-OD1 3.05Å; R253-D297 PolarHBondContact NH1-OD1 3.04Å; R253-D297 IonicContact NH1-OD2 3.82Å; R253-D297 PolarHBondContact NH1-OD2 3.46Å; R253-D297 IonicContact NH2-OD1 2.62Å; R253-D297 IonicContact NH2-OD2 3.82Å; R253-D297 PolarHBondContact NH2-OD2 3.07Å |
| 254 | Q | 95.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 148.5 | -173.5 | -166.8 | -173.9 | 9.7 | 0 | 0 | 108.3 | H228 G246 S252 V256 E269 E270 | H228-Q254 PolarHBondContact CE1-O 2.68Å; H228-Q254 PolarHBondContact ND1-OE1 3.43Å; G246-Q254 CarbonylContact C-O 3.58Å; G246-Q254 PolarHBondContact N-O 2.74Å; G246-Q254 PolarHBondContact O-N 3.07Å; G246-Q254 VanDerWaalsContact O-O 3.09Å; S252-Q254 PolarHBondContact O-N 2.79Å; Q254-V256 HydrophobicContact CG-CG2 4.32Å; Q254-E269 PolarHBondContact NE2-OE2 3.06Å; Q254-E270 WeakPolarHBondContact CA-O 3.47Å; Q254-E270 WeakPolarHBondContact CG-O 3.39Å |
| 255 | F | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 154.8 | 160.3 | 69.5 | -99.3 | 0 | 0 | 0 | 110.4 | F243 T244 L268 E270 L272 L292 I312 | F243-F255 HydrophobicContact CD2-CD2 4.38Å; F243-F255 HydrophobicContact CE1-CB 4.17Å; F243-F255 HydrophobicContact CE2-CB 3.63Å; F243-F255 AromaticContact CE2-CD2 3.46Å; F243-F255 HydrophobicContact CE2-CD2 3.46Å; F243-F255 VanDerWaalsContact CE2-CD2 3.46Å; F243-F255 HydrophobicContact CE2-CE2 4.27Å; F243-F255 AromaticContact CE2-CG 3.66Å; F243-F255 HydrophobicContact CE2-CG 3.66Å; F243-F255 HydrophobicContact CZ-CB 3.3Å; F243-F255 HydrophobicContact CZ-CD2 4.04Å; F243-F255 AromaticContact CZ-CG 3.72Å; F243-F255 HydrophobicContact CZ-CG 3.72Å; T244-F255 CarbonylContact O-C 3.48Å; T244-F255 WeakPolarHBondContact O-CA 3.35Å; T244-F255 WeakPolarHBondContact O-CB 3.37Å; F255-L268 HydrophobicContact CE2-CD2 4.17Å; F255-E270 HydrophobicContact CD1-CB 4.35Å; F255-E270 HydrophobicContact CD2-CB 4.43Å; F255-E270 HydrophobicContact CE1-CB 3.72Å; F255-E270 HydrophobicContact CE1-CG 4.03Å; F255-E270 HydrophobicContact CE2-CB 3.81Å; F255-E270 HydrophobicContact CZ-CB 3.42Å; F255-E270 VanDerWaalsContact CZ-CB 3.42Å; F255-E270 VanDerWaalsContact CZ-CD 3.44Å; F255-E270 HydrophobicContact CZ-CG 3.94Å; F255-E270 VanDerWaalsContact CZ-OE2 3.31Å; F255-E270 WeakPolarHBondContact CZ-OE2 3.4Å; F255-E270 PolarHBondContact N-O 2.85Å; F255-E270 PolarHBondContact O-N 3.4Å; F255-L272 HydrophobicContact CD1-CD1 4.12Å; F255-L272 HydrophobicContact CD1-CD2 3.84Å; F255-L272 HydrophobicContact CD1-CG 3.91Å; F255-L272 HydrophobicContact CE1-CD2 3.57Å; F255-L272 HydrophobicContact CE1-CG 4.16Å; F255-L292 HydrophobicContact CD1-CD1 3.94Å; F255-L292 HydrophobicContact CE1-CD1 4.42Å; F255-I312 HydrophobicContact CE2-CD1 3.7Å; F255-I312 HydrophobicContact CE2-CG2 4.16Å; F255-I312 HydrophobicContact CZ-CD1 3.69Å; F255-I312 HydrophobicContact CZ-CG2 4.17Å |
| 256 | V | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 135.2 | -177.9 | -175.4 | 0 | 0 | 0 | 0 | 109 | H228 T244 Q254 W258 P266 L268 E269 | H228-V256 HydrophobicContact CB-CG2 3.81Å; H228-V256 VanDerWaalsContact CG-CG2 3.42Å; T244-V256 PolarHBondContact N-O 3.41Å; T244-V256 PolarHBondContact O-N 2.85Å; T244-V256 PolarHBondContact OG1-O 2.85Å; Q254-V256 HydrophobicContact CG-CG2 4.32Å; V256-W258 HydrophobicContact CB-CZ2 4.1Å; V256-W258 HydrophobicContact CG1-CD2 4.1Å; V256-W258 VanDerWaalsContact CG1-CE2 3.41Å; V256-W258 HydrophobicContact CG1-CH2 4.16Å; V256-W258 HydrophobicContact CG1-CZ2 3.46Å; V256-W258 VanDerWaalsContact CG1-CZ2 3.46Å; V256-P266 HydrophobicContact CG1-CB 3.34Å; V256-P266 HydrophobicContact CG1-CG 4.35Å; V256-L268 CarbonylContact C-O 3.53Å; V256-L268 VanDerWaalsContact CA-O 3.3Å; V256-L268 WeakPolarHBondContact CA-O 3.46Å; V256-L268 WeakPolarHBondContact CG1-O 3.46Å; V256-E269 HydrophobicContact CG1-CG 3.91Å; V256-E269 HydrophobicContact CG2-CG 3.96Å |
| 257 | L | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138.3 | 170.4 | -73.4 | 170.7 | 0 | 0 | 0 | 109.4 | L236 M241 I242 F243 P266 L267 L268 I312 | L236-L257 HydrophobicContact CD1-CD2 3.77Å; M241-L257 HydrophobicContact CE-CB 4.19Å; M241-L257 HydrophobicContact CE-CD1 4.02Å; M241-L257 HydrophobicContact CE-CD2 4.25Å; M241-L257 HydrophobicContact CE-CG 4.41Å; I242-L257 WeakPolarHBondContact O-CA 3.41Å; F243-L257 HydrophobicContact CB-CD2 4.03Å; F243-L257 HydrophobicContact CD2-CD2 3.64Å; F243-L257 HydrophobicContact CD2-CG 4.27Å; F243-L257 HydrophobicContact CG-CD2 4.33Å; L257-P266 CarbonylContact O-C 3.57Å; L257-L267 HydrophobicContact CB-CB 4.38Å; L257-L267 PolarHBondContact O-N 3.3Å; L257-L268 HydrophobicContact CB-CB 4.16Å; L257-L268 HydrophobicContact CD1-CB 4.28Å; L257-L268 HydrophobicContact CD1-CD2 4.03Å; L257-L268 PolarHBondContact N-O 2.94Å; L257-L268 PolarHBondContact O-N 3.03Å; L257-I312 HydrophobicContact CD1-CB 4.31Å |
| 258 | W | 95.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150.2 | -178.6 | -51.8 | 87.3 | 0 | 0 | 0 | 109.5 | I209 C225 M241 I242 T244 V256 L263 P266 | I209-W258 HydrophobicContact CD1-CD2 4.31Å; I209-W258 HydrophobicContact CD1-CH2 4.46Å; I209-W258 HydrophobicContact CD1-CZ2 3.64Å; C225-W258 HydrophobicContact CB-CH2 3.65Å; C225-W258 HydrophobicContact CB-CZ2 3.95Å; M241-W258 WeakPolarHBondContact CA-O 3.45Å; I242-W258 HydrophobicContact CB-CB 4.15Å; I242-W258 PolarHBondContact N-O 3.46Å; I242-W258 PolarHBondContact O-N 2.81Å; T244-W258 PolarHBondContact OG1-NE1 3.29Å; V256-W258 HydrophobicContact CB-CZ2 4.1Å; V256-W258 HydrophobicContact CG1-CD2 4.1Å; V256-W258 VanDerWaalsContact CG1-CE2 3.41Å; V256-W258 HydrophobicContact CG1-CH2 4.16Å; V256-W258 HydrophobicContact CG1-CZ2 3.46Å; V256-W258 VanDerWaalsContact CG1-CZ2 3.46Å; W258-L263 HydrophobicContact CB-CD2 3.71Å; W258-L263 HydrophobicContact CD2-CD2 4.4Å; W258-L263 HydrophobicContact CE3-CD2 4.46Å; W258-L263 HydrophobicContact CG-CD2 4.1Å; W258-P266 HydrophobicContact CD2-CB 4.42Å; W258-P266 HydrophobicContact CE3-CB 4.05Å; W258-P266 HydrophobicContact CH2-CB 4.07Å; W258-P266 HydrophobicContact CH2-CG 4.39Å; W258-P266 HydrophobicContact CZ2-CB 4.47Å; W258-P266 HydrophobicContact CZ3-CB 3.87Å; W258-P266 HydrophobicContact CZ3-CG 4.29Å |
| 259 | D | 94.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.8 | 161.7 | -168.1 | -18.1 | 0 | 0 | 0 | 107.9 | D261 D262 L267 | D259-D261 PolarHBondContact O-N 3.39Å; D259-D261 PolarHBondContact OD1-N 3.16Å; D259-D262 HydrophobicContact CB-CB 4.4Å; D259-D262 CarbonylContact O-C 3.53Å; D259-D262 VanDerWaalsContact O-O 3.13Å; D259-L267 HydrophobicContact CB-CD1 4.12Å; D259-L267 HydrophobicContact CB-CD2 4.34Å; D259-L267 HydrophobicContact CB-CG 4.29Å |
| 260 | Q | 94.2 | Very high | 94 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -65.2 | -34.3 | 175.6 | -177 | -174.8 | -60.9 | 0 | 0 | 111.4 | L211 K240 I242 | L211-Q260 HydrophobicContact CD2-CG 3.59Å; L211-Q260 WeakPolarHBondContact CD2-O 3.16Å; K240-Q260 VanDerWaalsContact C-CB 3.48Å; K240-Q260 HydrophobicContact CB-CB 4.29Å; K240-Q260 WeakPolarHBondContact O-CB 3.18Å; K240-Q260 PolarHBondContact O-N 3.42Å; I242-Q260 HydrophobicContact CD1-CB 4.41Å; I242-Q260 HydrophobicContact CD1-CG 4.24Å; I242-Q260 HydrophobicContact CG1-CB 4.35Å; I242-Q260 HydrophobicContact CG1-CG 4.47Å |
| 261 | D | 92.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 43.8 Ų | 43.8 | 46% | 0.46 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -84.7 | -19 | -175.9 | -65.4 | -30.2 | 0 | 0 | 0 | 111.8 | Q221 K240 D259 | Q221-D261 PolarHBondContact NE2-O 2.87Å; K240-D261 IonicContact NZ-OD2 2.75Å; K240-D261 PolarHBondContact NZ-OD2 3.47Å; D259-D261 PolarHBondContact O-N 3.39Å; D259-D261 PolarHBondContact OD1-N 3.16Å |
| 262 | D | 93.5 | Very high | 94.4 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 34% | 0.337 | 22% | 0.223 | S | C | . | . | trans | -138.3 | 105.7 | 176.9 | -179 | 17.9 | 0 | 0 | 0 | 112.9 | D259 S264 | D259-D262 HydrophobicContact CB-CB 4.4Å; D259-D262 CarbonylContact O-C 3.53Å; D259-D262 VanDerWaalsContact O-O 3.13Å; D262-S264 VanDerWaalsContact CG-OG 3.26Å; D262-S264 WeakPolarHBondContact OD1-CB 3.24Å; D262-S264 PolarHBondContact OD1-N 3.47Å; D262-S264 PolarHBondContact OD1-OG 3.38Å; D262-S264 PolarHBondContact OD2-OG 3.03Å; D262-S264 VanDerWaalsContact OD2-OG 3.12Å | ||
| 263 | L | 94.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -91.2 | 5.4 | 175.5 | -66.9 | -175.8 | 0 | 0 | 0 | 114.1 | I209 L211 Q221 I242 W258 | I209-L263 HydrophobicContact CG2-CD1 4.18Å; L211-L263 HydrophobicContact CB-CD1 4.36Å; Q221-L263 HydrophobicContact CB-CB 4.4Å; Q221-L263 HydrophobicContact CB-CD1 3.68Å; Q221-L263 HydrophobicContact CB-CG 3.93Å; I242-L263 HydrophobicContact CD1-CD2 4.07Å; W258-L263 HydrophobicContact CB-CD2 3.71Å; W258-L263 HydrophobicContact CD2-CD2 4.4Å; W258-L263 HydrophobicContact CE3-CD2 4.46Å; W258-L263 HydrophobicContact CG-CD2 4.1Å | ||
| 264 | S | 91.6 | Very high | 94.1 | Very high | 84 Ų | 84 | 44.4 Ų | 44.4 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -75.5 | -35.6 | -178 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | D262 | D262-S264 VanDerWaalsContact CG-OG 3.26Å; D262-S264 WeakPolarHBondContact OD1-CB 3.24Å; D262-S264 PolarHBondContact OD1-N 3.47Å; D262-S264 PolarHBondContact OD1-OG 3.38Å; D262-S264 PolarHBondContact OD2-OG 3.03Å; D262-S264 VanDerWaalsContact OD2-OG 3.12Å |
| 265 | T | 91.9 | Very high | 94 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 52% | 0.515 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -129.2 | 133.9 | -179.1 | 62 | 0 | 0 | 0 | 0 | 111.3 | ||
| 266 | P | 94.3 | Very high | 93.7 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 142.8 | 177.5 | 27.7 | -28.4 | 0 | 0 | 0 | 111.2 | V256 L257 W258 E269 | V256-P266 HydrophobicContact CG1-CB 3.34Å; V256-P266 HydrophobicContact CG1-CG 4.35Å; L257-P266 CarbonylContact O-C 3.57Å; W258-P266 HydrophobicContact CD2-CB 4.42Å; W258-P266 HydrophobicContact CE3-CB 4.05Å; W258-P266 HydrophobicContact CH2-CB 4.07Å; W258-P266 HydrophobicContact CH2-CG 4.39Å; W258-P266 HydrophobicContact CZ2-CB 4.47Å; W258-P266 HydrophobicContact CZ3-CB 3.87Å; W258-P266 HydrophobicContact CZ3-CG 4.29Å; P266-E269 HydrophobicContact CB-CG 4Å; P266-E269 HydrophobicContact CG-CG 3.8Å; P266-E269 WeakPolarHBondContact CG-OE1 3.44Å |
| 267 | L | 93.7 | Very high | 93.5 | Very high | 59 Ų | 59 | 53 Ų | 53 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -37 | 174.7 | -64.8 | 175.9 | 0 | 0 | 0 | 111.8 | M241 L257 D259 Y311 | M241-L267 HydrophobicContact CE-CD1 3.6Å; M241-L267 HydrophobicContact CG-CD1 4.39Å; L257-L267 HydrophobicContact CB-CB 4.38Å; L257-L267 PolarHBondContact O-N 3.3Å; D259-L267 HydrophobicContact CB-CD1 4.12Å; D259-L267 HydrophobicContact CB-CD2 4.34Å; D259-L267 HydrophobicContact CB-CG 4.29Å; L267-Y311 HydrophobicContact CB-CE2 4.15Å |
| 268 | L | 94.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 137.6 | 179.2 | 178.4 | 70.4 | 0 | 0 | 0 | 110 | F255 V256 L257 I312 | F255-L268 HydrophobicContact CE2-CD2 4.17Å; V256-L268 CarbonylContact C-O 3.53Å; V256-L268 VanDerWaalsContact CA-O 3.3Å; V256-L268 WeakPolarHBondContact CA-O 3.46Å; V256-L268 WeakPolarHBondContact CG1-O 3.46Å; L257-L268 HydrophobicContact CB-CB 4.16Å; L257-L268 HydrophobicContact CD1-CB 4.28Å; L257-L268 HydrophobicContact CD1-CD2 4.03Å; L257-L268 PolarHBondContact N-O 2.94Å; L257-L268 PolarHBondContact O-N 3.03Å; L268-I312 HydrophobicContact CD2-CB 4.34Å; L268-I312 HydrophobicContact CD2-CG2 3.23Å |
| 269 | E | 94.4 | Very high | 93.4 | Very high | 81 Ų | 81 | 54.3 Ų | 54.3 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123.9 | 169.8 | -71.3 | -168.2 | -145.1 | 0 | 0 | 109.4 | T227 Q254 V256 P266 | T227-E269 PolarHBondContact OG1-OE2 2.94Å; Q254-E269 PolarHBondContact NE2-OE2 3.06Å; V256-E269 HydrophobicContact CG1-CG 3.91Å; V256-E269 HydrophobicContact CG2-CG 3.96Å; P266-E269 HydrophobicContact CB-CG 4Å; P266-E269 HydrophobicContact CG-CG 3.8Å; P266-E269 WeakPolarHBondContact CG-OE1 3.44Å |
| 270 | E | 94.4 | Very high | 93.5 | Very high | 69 Ų | 69 | 51.8 Ų | 51.8 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 129.2 | 178.8 | -167.6 | -179.1 | 132.8 | 0 | 0 | 111.3 | Q254 F255 | Q254-E270 WeakPolarHBondContact CA-O 3.47Å; Q254-E270 WeakPolarHBondContact CG-O 3.39Å; F255-E270 HydrophobicContact CD1-CB 4.35Å; F255-E270 HydrophobicContact CD2-CB 4.43Å; F255-E270 HydrophobicContact CE1-CB 3.72Å; F255-E270 HydrophobicContact CE1-CG 4.03Å; F255-E270 HydrophobicContact CE2-CB 3.81Å; F255-E270 HydrophobicContact CZ-CB 3.42Å; F255-E270 VanDerWaalsContact CZ-CB 3.42Å; F255-E270 VanDerWaalsContact CZ-CD 3.44Å; F255-E270 HydrophobicContact CZ-CG 3.94Å; F255-E270 VanDerWaalsContact CZ-OE2 3.31Å; F255-E270 WeakPolarHBondContact CZ-OE2 3.4Å; F255-E270 PolarHBondContact N-O 2.85Å; F255-E270 PolarHBondContact O-N 3.4Å |
| 271 | N | 94.7 | Very high | 93.6 | Very high | 92 Ų | 92 | 51.2 Ų | 51.2 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.6 | 172 | -70.8 | -62.5 | 0 | 0 | 0 | 109.4 | S252 | S252-N271 PolarHBondContact OG-OD1 2.97Å |
| 272 | L | 93 | Very high | 93.8 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -65.1 | -179.7 | -67.5 | -176.7 | 0 | 0 | 0 | 112.1 | R253 F255 L279 L292 Y303 | R253-L272 PolarHBondContact O-N 3.43Å; F255-L272 HydrophobicContact CD1-CD1 4.12Å; F255-L272 HydrophobicContact CD1-CD2 3.84Å; F255-L272 HydrophobicContact CD1-CG 3.91Å; F255-L272 HydrophobicContact CE1-CD2 3.57Å; F255-L272 HydrophobicContact CE1-CG 4.16Å; L272-L279 HydrophobicContact CD1-CD1 3.57Å; L272-L279 HydrophobicContact CD1-CD2 4.28Å; L272-L292 HydrophobicContact CD1-CD1 3.81Å; L272-Y303 WeakPolarHBondContact CD2-OH 3.29Å |
| 273 | D | 92.6 | Very high | 94 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 177.3 | -175.4 | 57.7 | 38.9 | 0 | 0 | 0 | 111.4 | S252 R253 S275 R301 | S252-D273 CarbonylContact C-O 3.59Å; S252-D273 WeakPolarHBondContact CA-O 3.3Å; S252-D273 WeakPolarHBondContact CB-O 3.1Å; R253-D273 IonicContact CZ-OD1 3.17Å; R253-D273 VanDerWaalsContact CZ-OD1 3.24Å; R253-D273 IonicContact CZ-OD2 3.83Å; R253-D273 PolarHBondContact N-O 2.77Å; R253-D273 IonicContact NE-OD1 3.63Å; R253-D273 PolarHBondContact NE-OD1 2.76Å; R253-D273 IonicContact NE-OD2 3.03Å; R253-D273 VanDerWaalsContact NH2-CG 3.29Å; R253-D273 IonicContact NH2-OD1 3.65Å; R253-D273 PolarHBondContact NH2-OD1 3.36Å; R253-D273 IonicContact NH2-OD2 2.65Å; R253-D273 PolarHBondContact NH2-OD2 3.33Å; D273-S275 WeakPolarHBondContact OD1-CB 3.49Å; D273-S275 PolarHBondContact OD1-N 2.95Å; D273-R301 IonicContact OD2-CZ 3.91Å; D273-R301 VanDerWaalsContact OD2-CZ 3.3Å; D273-R301 IonicContact OD2-NH1 2.86Å; D273-R301 PolarHBondContact OD2-NH1 3.07Å; D273-R301 IonicContact OD2-NH2 2.89Å; D273-R301 PolarHBondContact OD2-NH2 3.17Å |
| 274 | G | 91.9 | Very high | 94.1 | Very high | 74 Ų | 74 | 47 Ų | 47 | 76% | 0.763 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -89.9 | 13.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 275 | S | 92.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | trans | -73.3 | 155 | -178.7 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | R253 D273 | R253-S275 WeakPolarHBondContact CD-O 3.36Å; R253-S275 WeakPolarHBondContact CG-O 3.21Å; D273-S275 WeakPolarHBondContact OD1-CB 3.49Å; D273-S275 PolarHBondContact OD1-N 2.95Å | ||
| 276 | S | 90.4 | Very high | 94.3 | Very high | 122 Ų | 122 | 43.6 Ų | 43.6 | 85% | 0.853 | 27% | 0.265 | S | S | * | . | trans | -94.8 | -11.9 | -179.1 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 277 | G | 91.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -65.5 | 130.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | R253 L279 K295 | R253-G277 WeakPolarHBondContact CD-O 3.38Å; R253-G277 PolarHBondContact NH1-O 3.47Å; G277-L279 PolarHBondContact O-N 3.16Å; G277-K295 WeakPolarHBondContact CA-O 3.27Å |
| 278 | L | 93.9 | Very high | 94.3 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 132.5 | 176.4 | 179 | 66 | 0 | 0 | 0 | 111.6 | D42 F280 G294 K295 | D42-L278 HydrophobicContact CB-CD2 3.43Å; D42-L278 VanDerWaalsContact CB-CD2 3.43Å; L278-F280 HydrophobicContact CD2-CE1 3.91Å; L278-F280 HydrophobicContact CD2-CZ 4.1Å; L278-G294 CarbonylContact O-C 3.53Å; L278-G294 VanDerWaalsContact O-CA 3.3Å; L278-G294 WeakPolarHBondContact O-CA 3.18Å; L278-K295 HydrophobicContact CB-CB 4.49Å; L278-K295 PolarHBondContact O-N 3.18Å |
| 279 | L | 95.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.2 | 175.6 | -67.8 | 173.3 | 0 | 0 | 0 | 111.1 | S245 R253 L272 G277 P281 | S245-L279 PolarHBondContact OG-O 2.77Å; R253-L279 HydrophobicContact CB-CD1 3.69Å; R253-L279 HydrophobicContact CB-CG 4.18Å; L272-L279 HydrophobicContact CD1-CD1 3.57Å; L272-L279 HydrophobicContact CD1-CD2 4.28Å; G277-L279 PolarHBondContact O-N 3.16Å; L279-P281 WeakPolarHBondContact O-CD 3.42Å |
| 280 | F | 96.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 115.8 | 168.8 | -61.6 | -70.7 | 0 | 0 | 0 | 109.8 | H44 L278 F282 A293 K295 | H44-F280 AromaticContact CE1-CD1 3.58Å; H44-F280 AromaticContact ND1-CD1 3.9Å; L278-F280 HydrophobicContact CD2-CE1 3.91Å; L278-F280 HydrophobicContact CD2-CZ 4.1Å; F280-F282 HydrophobicContact CB-CD2 4.44Å; F280-F282 HydrophobicContact CB-CE2 3.47Å; F280-F282 VanDerWaalsContact CB-CE2 3.47Å; F280-F282 HydrophobicContact CB-CZ 3.78Å; F280-F282 WeakPolarHBondContact O-CE2 3.37Å; F280-A293 WeakPolarHBondContact CB-O 3.4Å; F280-A293 WeakPolarHBondContact CD2-O 3.21Å; F280-A293 PolarHBondContact N-O 3.36Å; F280-A293 PolarHBondContact O-N 2.82Å; F280-K295 HydrophobicContact CE2-CB 3.92Å |
| 281 | P | 97.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 140.9 | 171.6 | 35.9 | -33.4 | 0 | 0 | 0 | 111 | K232 L234 F243 L279 L290 Y291 L292 | K232-P281 HydrophobicContact CB-CG 3.95Å; L234-P281 HydrophobicContact CD1-CB 3.57Å; L234-P281 HydrophobicContact CD1-CG 3.73Å; L234-P281 HydrophobicContact CG-CB 4.24Å; L234-P281 HydrophobicContact CG-CG 3.85Å; F243-P281 HydrophobicContact CD1-CB 3.85Å; F243-P281 HydrophobicContact CD1-CG 4.18Å; F243-P281 HydrophobicContact CE1-CB 3.51Å; F243-P281 HydrophobicContact CE1-CG 4.05Å; F243-P281 HydrophobicContact CZ-CB 4.5Å; L279-P281 WeakPolarHBondContact O-CD 3.42Å; P281-L290 HydrophobicContact CB-CD1 4.14Å; P281-Y291 CarbonylContact C-O 3.3Å; P281-Y291 WeakPolarHBondContact CA-O 3.39Å; P281-L292 HydrophobicContact CB-CD2 3.69Å |
| 282 | F | 97.4 | Very high | 94.8 | Very high | 21 Ų | 21 | 29.1 Ų | 29.1 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 119.1 | 173.1 | -56.3 | -90 | 0 | 0 | 0 | 108.5 | H44 F280 L290 Y291 A293 M327 V329 F343 F345 | H44-F282 AromaticContact CE1-CE1 3.44Å; H44-F282 VanDerWaalsContact CE1-CE1 3.44Å; H44-F282 WeakPolarHBondContact CE1-CE1 3.31Å; H44-F282 AromaticContact CE1-CZ 3.37Å; H44-F282 WeakPolarHBondContact CE1-CZ 3.36Å; H44-F282 AromaticContact ND1-CE1 3.74Å; H44-F282 AromaticContact ND1-CZ 3.49Å; H44-F282 WeakPolarHBondContact ND1-CZ 2.88Å; F280-F282 HydrophobicContact CB-CD2 4.44Å; F280-F282 HydrophobicContact CB-CE2 3.47Å; F280-F282 VanDerWaalsContact CB-CE2 3.47Å; F280-F282 HydrophobicContact CB-CZ 3.78Å; F280-F282 WeakPolarHBondContact O-CE2 3.37Å; F282-L290 WeakPolarHBondContact O-CA 3.36Å; F282-Y291 PolarHBondContact N-O 2.89Å; F282-Y291 PolarHBondContact O-N 3.35Å; F282-A293 HydrophobicContact CE2-CB 4.15Å; F282-M327 HydrophobicContact CD2-CE 3.6Å; F282-M327 HydrophobicContact CE1-CE 4.47Å; F282-M327 HydrophobicContact CE2-CE 3.02Å; F282-M327 HydrophobicContact CZ-CB 4.18Å; F282-M327 HydrophobicContact CZ-CE 3.51Å; F282-V329 HydrophobicContact CD1-CG2 3.41Å; F282-V329 VanDerWaalsContact CD1-CG2 3.41Å; F282-V329 HydrophobicContact CE1-CG2 3.55Å; F282-V329 HydrophobicContact CG-CG2 4.17Å; F282-V329 HydrophobicContact CZ-CG2 4.44Å; F282-F343 HydrophobicContact CB-CZ 4.07Å; F282-F345 HydrophobicContact CB-CE1 4.33Å; F282-F345 AromaticContact CD2-CE1 3.89Å; F282-F345 HydrophobicContact CD2-CE1 3.89Å; F282-F345 HydrophobicContact CE2-CE1 4.36Å; F282-F345 AromaticContact CG-CE1 4Å; F282-F345 HydrophobicContact CG-CE1 4Å |
| 283 | Y | 96.9 | Very high | 95 | Very high | 36 Ų | 36 | 27.5 Ų | 27.5 | 14% | 0.141 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.7 | -178.5 | 177.6 | -113.5 | 0 | 0 | 0 | 110.1 | L236 M239 P285 H288 I305 | L236-Y283 HydrophobicContact CB-CE1 4.35Å; L236-Y283 HydrophobicContact CD2-CD1 4.01Å; L236-Y283 HydrophobicContact CD2-CD2 3.75Å; L236-Y283 HydrophobicContact CD2-CE1 4.39Å; L236-Y283 HydrophobicContact CD2-CE2 4.13Å; L236-Y283 HydrophobicContact CD2-CG 3.66Å; M239-Y283 PolarHBondContact SD-OH 3.41Å; Y283-P285 HydrophobicContact CE1-CB 4.05Å; Y283-H288 HydrophobicContact CE2-CB 4.49Å; Y283-H288 PolarHBondContact OH-ND1 3.04Å; Y283-I305 HydrophobicContact CD2-CG1 4.49Å; Y283-I305 HydrophobicContact CE2-CB 4.33Å; Y283-I305 HydrophobicContact CE2-CG1 4.19Å |
| 284 | D | 96 | Very high | 95 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 108 | 172.8 | 179.9 | 13.3 | 0 | 0 | 0 | 109.6 | D286 T287 H288 M289 K332 F343 | D284-D286 PolarHBondContact O-N 2.77Å; D284-D286 PolarHBondContact OD1-N 2.97Å; D284-T287 WeakPolarHBondContact OD2-CB 3.28Å; D284-T287 VanDerWaalsContact OD2-CG2 3.26Å; D284-T287 WeakPolarHBondContact OD2-CG2 3.48Å; D284-T287 PolarHBondContact OD2-OG1 2.86Å; D284-H288 WeakPolarHBondContact O-CA 3.26Å; D284-H288 PolarHBondContact O-N 3.03Å; D284-M289 PolarHBondContact N-O 3.2Å; D284-K332 VanDerWaalsContact CG-CE 3.43Å; D284-K332 VanDerWaalsContact CG-NZ 3.25Å; D284-K332 WeakPolarHBondContact OD1-CE 3.3Å; D284-K332 IonicContact OD1-NZ 2.77Å; D284-K332 PolarHBondContact OD1-NZ 2.74Å; D284-K332 WeakPolarHBondContact OD2-CE 2.93Å; D284-K332 IonicContact OD2-NZ 3.5Å; D284-K332 PolarHBondContact OD2-NZ 2.9Å; D284-F343 HydrophobicContact CB-CD2 4.06Å; D284-F343 HydrophobicContact CB-CE2 4.04Å |
| 285 | P | 93.8 | Very high | 95.1 | Very high | 67 Ų | 67 | 24 Ų | 24 | 44% | 0.435 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -22.4 | -177.8 | 28.9 | -35.1 | 0 | 0 | 0 | 113.1 | Y283 H288 | Y283-P285 HydrophobicContact CE1-CB 4.05Å; P285-H288 PolarHBondContact O-CE1 3.21Å; P285-H288 PolarHBondContact O-ND1 3.31Å |
| 286 | D | 94.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 24 Ų | 24 | 16% | 0.16 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -38.1 | -176.7 | -65.9 | -7.4 | 0 | 0 | 0 | 111.8 | D284 K332 P375 T377 | D284-D286 PolarHBondContact O-N 2.77Å; D284-D286 PolarHBondContact OD1-N 2.97Å; D286-K332 WeakPolarHBondContact OD2-CD 3.49Å; D286-K332 WeakPolarHBondContact OD2-CE 3.25Å; D286-K332 WeakPolarHBondContact OD2-CG 3.16Å; D286-K332 IonicContact OD2-NZ 3.5Å; D286-P375 HydrophobicContact CB-CG 3.76Å; D286-P375 WeakPolarHBondContact O-CG 3.21Å; D286-T377 VanDerWaalsContact OD2-CB 3.27Å; D286-T377 WeakPolarHBondContact OD2-CB 3.25Å; D286-T377 PolarHBondContact OD2-OG1 3.28Å |
| 287 | T | 94.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -7.2 | -177.1 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | F17 D284 M289 V342 | F17-T287 HydrophobicContact CE1-CG2 3.86Å; F17-T287 WeakPolarHBondContact CE2-O 3.24Å; F17-T287 HydrophobicContact CZ-CG2 3.76Å; D284-T287 WeakPolarHBondContact OD2-CB 3.28Å; D284-T287 VanDerWaalsContact OD2-CG2 3.26Å; D284-T287 WeakPolarHBondContact OD2-CG2 3.48Å; D284-T287 PolarHBondContact OD2-OG1 2.86Å; T287-M289 PolarHBondContact O-N 2.77Å; T287-M289 WeakPolarHBondContact OG1-CB 3.46Å; T287-M289 VanDerWaalsContact OG1-CG 3.29Å; T287-M289 WeakPolarHBondContact OG1-CG 3.35Å; T287-M289 PolarHBondContact OG1-N 2.93Å; T287-V342 HydrophobicContact CG2-CB 4.43Å |
| 288 | H | 94.6 | Very high | 95.3 | Very high | 76 Ų | 76 | 19.3 Ų | 19.3 | 35% | 0.352 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 25.3 | -169.8 | -52.1 | -50.6 | 0 | 0 | 0 | 113.8 | M239 Y283 D284 P285 I305 | M239-H288 HydrophobicContact CE-CB 3.95Å; Y283-H288 HydrophobicContact CE2-CB 4.49Å; Y283-H288 PolarHBondContact OH-ND1 3.04Å; D284-H288 WeakPolarHBondContact O-CA 3.26Å; D284-H288 PolarHBondContact O-N 3.03Å; P285-H288 PolarHBondContact O-CE1 3.21Å; P285-H288 PolarHBondContact O-ND1 3.31Å; H288-I305 WeakPolarHBondContact CB-O 3.27Å; H288-I305 PolarHBondContact O-N 2.94Å |
| 289 | M | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 135.7 | 173.9 | -67.5 | -172.8 | 70.8 | 0 | 0 | 110.9 | F17 V20 D284 T287 Y291 Y302 Y303 L315 V342 | F17-M289 HydrophobicContact CB-CE 4.31Å; F17-M289 HydrophobicContact CB-CG 4.41Å; F17-M289 HydrophobicContact CB-SD 3.84Å; F17-M289 HydrophobicContact CD1-SD 3.79Å; F17-M289 HydrophobicContact CD2-CG 4.43Å; F17-M289 HydrophobicContact CG-CG 4.24Å; F17-M289 HydrophobicContact CG-SD 3.81Å; V20-M289 HydrophobicContact CB-CE 4.16Å; V20-M289 HydrophobicContact CG1-CE 4.09Å; V20-M289 HydrophobicContact CG2-CE 4.07Å; V20-M289 HydrophobicContact CG2-SD 4.17Å; D284-M289 PolarHBondContact N-O 3.2Å; T287-M289 PolarHBondContact O-N 2.77Å; T287-M289 WeakPolarHBondContact OG1-CB 3.46Å; T287-M289 VanDerWaalsContact OG1-CG 3.29Å; T287-M289 WeakPolarHBondContact OG1-CG 3.35Å; T287-M289 PolarHBondContact OG1-N 2.93Å; M289-Y291 HydrophobicContact CB-CE2 3.79Å; M289-Y291 HydrophobicContact CE-CE1 4.01Å; M289-Y291 WeakPolarHBondContact CE-OH 3.34Å; M289-Y291 PolarHBondContact SD-OH 2.95Å; M289-Y291 VanDerWaalsContact SD-OH 3.36Å; M289-Y302 HydrophobicContact CE-CD2 3.94Å; M289-Y302 HydrophobicContact CE-CG 4.42Å; M289-Y303 CarbonylContact C-O 3.53Å; M289-Y303 WeakPolarHBondContact CA-O 3.45Å; M289-L315 HydrophobicContact CE-CD1 3.75Å; M289-V342 HydrophobicContact SD-CG2 4.42Å |
| 290 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125 | 172.3 | 176 | 71.7 | 0 | 0 | 0 | 109.2 | L234 F243 P281 F282 L292 Y302 Y303 I305 I312 | L234-L290 HydrophobicContact CD1-CD1 4.28Å; F243-L290 HydrophobicContact CD2-CD2 3.71Å; F243-L290 HydrophobicContact CE1-CD2 4.34Å; F243-L290 HydrophobicContact CE2-CD2 3.33Å; F243-L290 HydrophobicContact CG-CD2 4.35Å; F243-L290 HydrophobicContact CZ-CD2 3.69Å; P281-L290 HydrophobicContact CB-CD1 4.14Å; F282-L290 WeakPolarHBondContact O-CA 3.36Å; L290-L292 HydrophobicContact CD1-CD2 4.33Å; L290-L292 HydrophobicContact CD2-CD2 4.17Å; L290-L292 HydrophobicContact CG-CD2 4.14Å; L290-Y302 CarbonylContact O-C 3.53Å; L290-Y302 WeakPolarHBondContact O-CA 3.41Å; L290-Y303 PolarHBondContact N-O 3.19Å; L290-Y303 PolarHBondContact O-N 3.12Å; L290-I305 HydrophobicContact CB-CD1 4.02Å; L290-I305 HydrophobicContact CB-CG1 3.85Å; L290-I305 HydrophobicContact CD2-CD1 3.93Å; L290-I312 HydrophobicContact CD2-CD1 3.94Å |
| 291 | Y | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.5 | 175.6 | -54.6 | -96 | 0 | 0 | 0 | 110.1 | P281 F282 M289 I300 R301 Y302 F343 F345 M360 | P281-Y291 CarbonylContact C-O 3.3Å; P281-Y291 WeakPolarHBondContact CA-O 3.39Å; F282-Y291 PolarHBondContact N-O 2.89Å; F282-Y291 PolarHBondContact O-N 3.35Å; M289-Y291 HydrophobicContact CB-CE2 3.79Å; M289-Y291 HydrophobicContact CE-CE1 4.01Å; M289-Y291 WeakPolarHBondContact CE-OH 3.34Å; M289-Y291 PolarHBondContact SD-OH 2.95Å; M289-Y291 VanDerWaalsContact SD-OH 3.36Å; Y291-I300 HydrophobicContact CD1-CG2 4.4Å; Y291-R301 CarbonylContact C-O 3.55Å; Y291-R301 WeakPolarHBondContact CA-O 3.29Å; Y291-Y302 VanDerWaalsContact CD1-CB 3.44Å; Y291-Y302 HydrophobicContact CD1-CD1 4.04Å; Y291-Y302 AromaticContact CD1-CG 3.99Å; Y291-Y302 HydrophobicContact CD1-CG 3.99Å; Y291-Y302 HydrophobicContact CE1-CD1 4.21Å; Y291-Y302 AromaticContact CE1-CG 3.98Å; Y291-Y302 HydrophobicContact CE1-CG 3.98Å; Y291-F343 HydrophobicContact CD2-CD1 4.32Å; Y291-F343 HydrophobicContact CD2-CD2 4.29Å; Y291-F343 HydrophobicContact CD2-CE1 4.36Å; Y291-F343 HydrophobicContact CD2-CE2 4.31Å; Y291-F343 HydrophobicContact CD2-CG 4.28Å; Y291-F343 HydrophobicContact CD2-CZ 4.33Å; Y291-F343 HydrophobicContact CE2-CB 4Å; Y291-F343 HydrophobicContact CE2-CD1 4.11Å; Y291-F343 AromaticContact CE2-CD2 3.65Å; Y291-F343 HydrophobicContact CE2-CD2 3.65Å; Y291-F343 HydrophobicContact CE2-CE2 4.09Å; Y291-F343 AromaticContact CE2-CG 3.64Å; Y291-F343 HydrophobicContact CE2-CG 3.64Å; Y291-F343 HydrophobicContact CE2-CZ 4.48Å; Y291-F343 AromaticContact CZ-CG 3.94Å; Y291-F343 WeakPolarHBondContact OH-CB 3.49Å; Y291-F345 AromaticContact CD1-CE2 3.75Å; Y291-F345 HydrophobicContact CD1-CE2 3.75Å; Y291-F345 AromaticContact CD1-CZ 3.84Å; Y291-F345 HydrophobicContact CD1-CZ 3.84Å; Y291-F345 HydrophobicContact CD2-CZ 4.06Å; Y291-F345 HydrophobicContact CE1-CE2 4.26Å; Y291-F345 AromaticContact CG-CE2 3.97Å; Y291-F345 HydrophobicContact CG-CE2 3.97Å; Y291-F345 AromaticContact CG-CZ 3.55Å; Y291-F345 HydrophobicContact CG-CZ 3.55Å; Y291-M360 HydrophobicContact CD1-CE 4.44Å; Y291-M360 HydrophobicContact CD1-CG 4.45Å; Y291-M360 HydrophobicContact CE1-CB 4.31Å; Y291-M360 HydrophobicContact CE1-CG 3.73Å; Y291-M360 HydrophobicContact CE1-SD 4.26Å |
| 292 | L | 97.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 118.7 | 176 | -59 | -173.9 | 0 | 0 | 0 | 109.7 | F243 F255 L272 P281 L290 R301 Y303 | F243-L292 HydrophobicContact CE1-CD2 3.93Å; F243-L292 HydrophobicContact CZ-CD1 4.25Å; F243-L292 HydrophobicContact CZ-CD2 3.69Å; F255-L292 HydrophobicContact CD1-CD1 3.94Å; F255-L292 HydrophobicContact CE1-CD1 4.42Å; L272-L292 HydrophobicContact CD1-CD1 3.81Å; P281-L292 HydrophobicContact CB-CD2 3.69Å; L290-L292 HydrophobicContact CD1-CD2 4.33Å; L290-L292 HydrophobicContact CD2-CD2 4.17Å; L290-L292 HydrophobicContact CG-CD2 4.14Å; L292-R301 PolarHBondContact N-O 2.92Å; L292-R301 PolarHBondContact O-N 2.79Å; L292-Y303 HydrophobicContact CB-CE2 4.44Å; L292-Y303 HydrophobicContact CD1-CD2 4.29Å; L292-Y303 HydrophobicContact CD1-CE2 3.67Å; L292-Y303 HydrophobicContact CG-CD2 4.29Å; L292-Y303 HydrophobicContact CG-CE2 3.96Å |
| 293 | A | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 115.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F280 F282 I300 M327 | F280-A293 WeakPolarHBondContact CB-O 3.4Å; F280-A293 WeakPolarHBondContact CD2-O 3.21Å; F280-A293 PolarHBondContact N-O 3.36Å; F280-A293 PolarHBondContact O-N 2.82Å; F282-A293 HydrophobicContact CE2-CB 4.15Å; A293-I300 HydrophobicContact CB-CG1 4.22Å; A293-I300 HydrophobicContact CB-CG2 4.38Å; A293-M327 HydrophobicContact CB-CE 3.2Å; A293-M327 HydrophobicContact CB-SD 4.08Å |
| 294 | G | 94.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 140 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L278 G296 D297 Q324 | L278-G294 CarbonylContact O-C 3.53Å; L278-G294 VanDerWaalsContact O-CA 3.3Å; L278-G294 WeakPolarHBondContact O-CA 3.18Å; G294-G296 PolarHBondContact O-N 3.01Å; G294-D297 WeakPolarHBondContact CA-OD2 3.09Å; G294-D297 WeakPolarHBondContact O-CB 3.46Å; G294-D297 PolarHBondContact O-N 2.57Å; G294-Q324 VanDerWaalsContact O-CG 3.23Å; G294-Q324 WeakPolarHBondContact O-CG 3.28Å; G294-Q324 PolarHBondContact O-NE2 3.45Å |
| 295 | K | 93.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 20.4 Ų | 20.4 | 15% | 0.148 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 122.6 | 167.4 | -176.3 | 168.3 | 166.5 | -175 | 0 | 109.8 | V40 Q41 D42 G277 L278 F280 D297 | V40-K295 PolarHBondContact O-NZ 3.36Å; Q41-K295 PolarHBondContact O-NZ 3.21Å; D42-K295 IonicContact OD1-NZ 3.44Å; D42-K295 PolarHBondContact OD1-NZ 2.95Å; G277-K295 WeakPolarHBondContact CA-O 3.27Å; L278-K295 HydrophobicContact CB-CB 4.49Å; L278-K295 PolarHBondContact O-N 3.18Å; F280-K295 HydrophobicContact CE2-CB 3.92Å; K295-D297 VanDerWaalsContact C-N 3.33Å |
| 296 | G | 92.9 | Very high | 95.2 | Very high | 48 Ų | 48 | 19.7 Ų | 19.7 | 50% | 0.495 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | G294 P323 Q324 | G294-G296 PolarHBondContact O-N 3.01Å; G296-P323 VanDerWaalsContact O-CB 3.28Å; G296-P323 WeakPolarHBondContact O-CB 3.38Å; G296-Q324 PolarHBondContact N-O 3.28Å |
| 297 | D | 93.6 | Very high | 95 | Very high | 20 Ų | 20 | 22 Ų | 22 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | trans | -84.5 | 151.6 | 177.5 | -64.1 | -2.6 | 0 | 0 | 0 | 111 | R253 G294 K295 P323 Q324 | R253-D297 IonicContact CZ-OD1 3.26Å; R253-D297 IonicContact CZ-OD2 2.71Å; R253-D297 IonicContact NH1-OD1 3.05Å; R253-D297 PolarHBondContact NH1-OD1 3.04Å; R253-D297 IonicContact NH1-OD2 3.82Å; R253-D297 PolarHBondContact NH1-OD2 3.46Å; R253-D297 IonicContact NH2-OD1 2.62Å; R253-D297 IonicContact NH2-OD2 3.82Å; R253-D297 PolarHBondContact NH2-OD2 3.07Å; G294-D297 WeakPolarHBondContact CA-OD2 3.09Å; G294-D297 WeakPolarHBondContact O-CB 3.46Å; G294-D297 PolarHBondContact O-N 2.57Å; K295-D297 VanDerWaalsContact C-N 3.33Å; D297-P323 CarbonylContact O-C 3.55Å; D297-P323 WeakPolarHBondContact O-CA 3.44Å; D297-Q324 VanDerWaalsContact O-CG 3.29Å; D297-Q324 WeakPolarHBondContact O-CG 3.36Å; D297-Q324 PolarHBondContact O-N 2.71Å | ||
| 298 | G | 93 | Very high | 94.7 | Very high | 18 Ų | 18 | 28.5 Ų | 28.5 | 19% | 0.186 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -92.6 | -6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S320 T322 | G298-S320 CarbonylContact C-O 3.47Å; G298-S320 VanDerWaalsContact CA-O 3.28Å; G298-S320 WeakPolarHBondContact CA-O 3.44Å; G298-S320 WeakPolarHBondContact O-CA 3.28Å; G298-S320 WeakPolarHBondContact O-CB 3.34Å; G298-S320 PolarHBondContact O-N 2.9Å; G298-T322 VanDerWaalsContact CA-O 3.3Å; G298-T322 WeakPolarHBondContact CA-O 3.31Å |
| 299 | S | 94.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 32.9 Ų | 32.9 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 155.3 | -175.2 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | F318 Q324 | S299-F318 CarbonylContact C-O 3.58Å; S299-F318 WeakPolarHBondContact CA-O 3.27Å; S299-F318 VanDerWaalsContact CB-O 3.25Å; S299-F318 WeakPolarHBondContact CB-O 3.41Å; S299-Q324 PolarHBondContact O-NE2 2.96Å |
| 300 | I | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 113.4 | 171.9 | -55.7 | 172.1 | 0 | 0 | 0 | 106.4 | Y291 A293 E317 F318 M327 F345 M360 | Y291-I300 HydrophobicContact CD1-CG2 4.4Å; A293-I300 HydrophobicContact CB-CG1 4.22Å; A293-I300 HydrophobicContact CB-CG2 4.38Å; I300-E317 CarbonylContact O-C 3.53Å; I300-E317 VanDerWaalsContact O-CA 3.28Å; I300-E317 WeakPolarHBondContact O-CA 2.93Å; I300-F318 HydrophobicContact CB-CB 4.37Å; I300-F318 HydrophobicContact CD1-CD1 4.11Å; I300-F318 HydrophobicContact CG1-CD1 4.28Å; I300-F318 PolarHBondContact N-O 2.94Å; I300-F318 PolarHBondContact O-N 2.86Å; I300-M327 HydrophobicContact CD1-SD 3.81Å; I300-F345 HydrophobicContact CD1-CD2 4.05Å; I300-F345 HydrophobicContact CD1-CE2 4.43Å; I300-F345 HydrophobicContact CD1-CG 4.29Å; I300-F345 HydrophobicContact CG2-CE2 4.21Å; I300-F345 HydrophobicContact CG2-CZ 4.35Å; I300-M360 HydrophobicContact CB-CE 4.32Å; I300-M360 HydrophobicContact CD1-CE 4.17Å; I300-M360 HydrophobicContact CG2-CE 4.12Å |
| 301 | R | 96.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 39 Ų | 39 | 17% | 0.166 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 143.3 | 177.3 | -61.5 | -176.6 | -178.3 | 115 | -9.1 | 109 | D273 Y291 L292 Y303 Y314 E317 | D273-R301 IonicContact OD2-CZ 3.91Å; D273-R301 VanDerWaalsContact OD2-CZ 3.3Å; D273-R301 IonicContact OD2-NH1 2.86Å; D273-R301 PolarHBondContact OD2-NH1 3.07Å; D273-R301 IonicContact OD2-NH2 2.89Å; D273-R301 PolarHBondContact OD2-NH2 3.17Å; Y291-R301 CarbonylContact C-O 3.55Å; Y291-R301 WeakPolarHBondContact CA-O 3.29Å; L292-R301 PolarHBondContact N-O 2.92Å; L292-R301 PolarHBondContact O-N 2.79Å; R301-Y303 HydrophobicContact CB-CE2 3.79Å; R301-Y314 HydrophobicContact CB-CE2 4.42Å; R301-E317 HydrophobicContact CB-CB 4.45Å; R301-E317 HydrophobicContact CG-CB 3.94Å; R301-E317 IonicContact NE-OE2 3.28Å; R301-E317 PolarHBondContact NE-OE2 2.93Å |
| 302 | Y | 96.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.7 | 176.3 | 41.1 | -86.5 | 0 | 0 | 0 | 113.2 | V20 M289 L290 Y291 L315 M316 F318 M360 | V20-Y302 HydrophobicContact CB-CE2 4.18Å; V20-Y302 HydrophobicContact CG1-CE2 4.17Å; V20-Y302 WeakPolarHBondContact O-CE2 3.49Å; V20-Y302 PolarHBondContact O-OH 2.49Å; M289-Y302 HydrophobicContact CE-CD2 3.94Å; M289-Y302 HydrophobicContact CE-CG 4.42Å; L290-Y302 CarbonylContact O-C 3.53Å; L290-Y302 WeakPolarHBondContact O-CA 3.41Å; Y291-Y302 VanDerWaalsContact CD1-CB 3.44Å; Y291-Y302 HydrophobicContact CD1-CD1 4.04Å; Y291-Y302 AromaticContact CD1-CG 3.99Å; Y291-Y302 HydrophobicContact CD1-CG 3.99Å; Y291-Y302 HydrophobicContact CE1-CD1 4.21Å; Y291-Y302 AromaticContact CE1-CG 3.98Å; Y291-Y302 HydrophobicContact CE1-CG 3.98Å; Y302-L315 HydrophobicContact CD2-CB 3.99Å; Y302-L315 HydrophobicContact CD2-CD1 4.33Å; Y302-L315 HydrophobicContact CE2-CB 4.36Å; Y302-L315 WeakPolarHBondContact O-CB 3.25Å; Y302-L315 PolarHBondContact O-N 3.02Å; Y302-M316 HydrophobicContact CD2-CB 4.49Å; Y302-M316 HydrophobicContact CE2-CB 3.54Å; Y302-M316 PolarHBondContact N-O 2.8Å; Y302-M316 VanDerWaalsContact OH-CB 3.29Å; Y302-M316 WeakPolarHBondContact OH-CB 3.38Å; Y302-F318 HydrophobicContact CE1-CB 4.28Å; Y302-M360 HydrophobicContact CE1-CE 4.48Å; Y302-M360 HydrophobicContact CE1-SD 4.27Å |
| 303 | Y | 96.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.02 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 156.6 | -170.1 | -55.6 | -103 | 0 | 0 | 0 | 108.6 | L272 M289 L290 L292 R301 I312 Q313 Y314 | L272-Y303 WeakPolarHBondContact CD2-OH 3.29Å; M289-Y303 CarbonylContact C-O 3.53Å; M289-Y303 WeakPolarHBondContact CA-O 3.45Å; L290-Y303 PolarHBondContact N-O 3.19Å; L290-Y303 PolarHBondContact O-N 3.12Å; L292-Y303 HydrophobicContact CB-CE2 4.44Å; L292-Y303 HydrophobicContact CD1-CD2 4.29Å; L292-Y303 HydrophobicContact CD1-CE2 3.67Å; L292-Y303 HydrophobicContact CG-CD2 4.29Å; L292-Y303 HydrophobicContact CG-CE2 3.96Å; R301-Y303 HydrophobicContact CB-CE2 3.79Å; Y303-I312 HydrophobicContact CD1-CD1 3.76Å; Y303-I312 HydrophobicContact CD1-CG1 3.67Å; Y303-I312 HydrophobicContact CD2-CD1 4.47Å; Y303-I312 HydrophobicContact CE1-CD1 4.44Å; Y303-I312 HydrophobicContact CG-CD1 3.78Å; Y303-I312 HydrophobicContact CG-CG1 3.87Å; Y303-Q313 CarbonylContact C-O 3.48Å; Y303-Q313 WeakPolarHBondContact CA-O 3.28Å; Y303-Y314 HydrophobicContact CD1-CD2 4.06Å; Y303-Y314 HydrophobicContact CD1-CG 4.49Å; Y303-Y314 AromaticContact CE1-CD2 3.61Å; Y303-Y314 HydrophobicContact CE1-CD2 3.61Å; Y303-Y314 HydrophobicContact CE1-CG 4.22Å; Y303-Y314 HydrophobicContact CE2-CD2 4.46Å; Y303-Y314 AromaticContact CZ-CD2 3.81Å |
| 304 | E | 95.6 | Very high | 93.7 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.6 | 166.1 | -173.8 | 172.1 | -169 | 0 | 0 | 108.8 | S15 I312 Q313 L315 | S15-E304 WeakPolarHBondContact CB-OE2 3.23Å; S15-E304 PolarHBondContact OG-OE2 3.04Å; E304-I312 WeakPolarHBondContact O-CA 3.3Å; E304-Q313 PolarHBondContact N-O 2.97Å; E304-Q313 PolarHBondContact O-N 3.36Å; E304-L315 HydrophobicContact CB-CD1 4.13Å; E304-L315 HydrophobicContact CB-CD2 4.15Å; E304-L315 HydrophobicContact CB-CG 4.28Å |
| 305 | I | 95 | Very high | 93.7 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.6 | 177.5 | -53.6 | -65.7 | 0 | 0 | 0 | 109.6 | L236 M239 Y283 H288 L290 Y311 I312 | L236-I305 HydrophobicContact CD1-CG2 3.98Å; M239-I305 HydrophobicContact CE-CG2 4.24Å; M239-I305 WeakPolarHBondContact CE-O 3.47Å; M239-I305 HydrophobicContact SD-CB 4.21Å; M239-I305 HydrophobicContact SD-CG2 3.56Å; M239-I305 VanDerWaalsContact SD-CG2 3.56Å; Y283-I305 HydrophobicContact CD2-CG1 4.49Å; Y283-I305 HydrophobicContact CE2-CB 4.33Å; Y283-I305 HydrophobicContact CE2-CG1 4.19Å; H288-I305 WeakPolarHBondContact CB-O 3.27Å; H288-I305 PolarHBondContact O-N 2.94Å; L290-I305 HydrophobicContact CB-CD1 4.02Å; L290-I305 HydrophobicContact CB-CG1 3.85Å; L290-I305 HydrophobicContact CD2-CD1 3.93Å; I305-Y311 CarbonylContact C-O 3.58Å; I305-Y311 VanDerWaalsContact CA-O 3.31Å; I305-Y311 WeakPolarHBondContact CA-O 3.28Å; I305-I312 HydrophobicContact CD1-CB 4.04Å; I305-I312 HydrophobicContact CD1-CD1 3.71Å; I305-I312 HydrophobicContact CD1-CG1 3.63Å |
| 306 | S | 92.8 | Very high | 93.8 | Very high | 52 Ų | 52 | 51 Ų | 51 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | trans | -131 | 153.1 | 173.4 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | E308 Y311 | S306-E308 PolarHBondContact O-N 2.82Å; S306-E308 PolarHBondContact OG-N 3.01Å; S306-Y311 PolarHBondContact N-O 2.94Å; S306-Y311 WeakPolarHBondContact O-CA 3.47Å | ||
| 307 | S | 89.4 | Confident | 93.9 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -72.4 | -16.7 | 170.7 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | Y311 | S307-Y311 WeakPolarHBondContact O-CE1 3.27Š|
| 308 | E | 88.8 | Confident | 94 | Very high | 142 Ų | 142 | 50.6 Ų | 50.6 | 66% | 0.664 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -106.8 | 152 | -179.2 | -64.5 | -178.4 | -176.1 | 0 | 0 | 111.5 | S306 Y311 | S306-E308 PolarHBondContact O-N 2.82Å; S306-E308 PolarHBondContact OG-N 3.01Å; E308-Y311 VanDerWaalsContact O-CA 3.28Å; E308-Y311 WeakPolarHBondContact O-CA 3.47Å; E308-Y311 PolarHBondContact O-N 2.86Å |
| 309 | K | 89.2 | Confident | 94.2 | Very high | 167 Ų | 167 | 58.6 Ų | 58.6 | 73% | 0.726 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 135.7 | 175 | -71.7 | -176.2 | 179 | -178.2 | 0 | 110.7 | Y311 | K309-Y311 VanDerWaalsContact C-N 3.35Å; K309-Y311 VanDerWaalsContact CA-N 3.33Å; K309-Y311 HydrophobicContact CD-CE2 4.37Å; K309-Y311 WeakPolarHBondContact CE-OH 3.44Å; K309-Y311 HydrophobicContact CG-CD2 4.13Å; K309-Y311 HydrophobicContact CG-CE1 4.05Å; K309-Y311 HydrophobicContact CG-CE2 3.53Å; K309-Y311 VanDerWaalsContact CG-CZ 3.47Å |
| 310 | P | 91.4 | Very high | 94.1 | Very high | 90 Ų | 90 | 59 Ų | 59 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.2 | 12.5 | 14.1 | 34.4 | -36.9 | 0 | 0 | 0 | 116 | I312 | P310-I312 PolarHBondContact O-N 3.44Š|
| 311 | Y | 92.8 | Very high | 93.9 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | trans | 65.5 | -43 | -178.2 | -52.3 | -62.7 | 0 | 0 | 0 | 115.5 | M241 L267 I305 S306 S307 E308 K309 | M241-Y311 HydrophobicContact CE-CD1 3.88Å; M241-Y311 HydrophobicContact CE-CE1 4.5Å; M241-Y311 HydrophobicContact CE-CG 3.99Å; L267-Y311 HydrophobicContact CB-CE2 4.15Å; I305-Y311 CarbonylContact C-O 3.58Å; I305-Y311 VanDerWaalsContact CA-O 3.31Å; I305-Y311 WeakPolarHBondContact CA-O 3.28Å; S306-Y311 PolarHBondContact N-O 2.94Å; S306-Y311 WeakPolarHBondContact O-CA 3.47Å; S307-Y311 WeakPolarHBondContact O-CE1 3.27Å; E308-Y311 VanDerWaalsContact O-CA 3.28Å; E308-Y311 WeakPolarHBondContact O-CA 3.47Å; E308-Y311 PolarHBondContact O-N 2.86Å; K309-Y311 VanDerWaalsContact C-N 3.35Å; K309-Y311 VanDerWaalsContact CA-N 3.33Å; K309-Y311 HydrophobicContact CD-CE2 4.37Å; K309-Y311 WeakPolarHBondContact CE-OH 3.44Å; K309-Y311 HydrophobicContact CG-CD2 4.13Å; K309-Y311 HydrophobicContact CG-CE1 4.05Å; K309-Y311 HydrophobicContact CG-CE2 3.53Å; K309-Y311 VanDerWaalsContact CG-CZ 3.47Å | ||
| 312 | I | 94.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.062 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.8 | 177.6 | -166 | 164.1 | 0 | 0 | 0 | 109.1 | F255 L257 L268 L290 Y303 E304 I305 P310 | F255-I312 HydrophobicContact CE2-CD1 3.7Å; F255-I312 HydrophobicContact CE2-CG2 4.16Å; F255-I312 HydrophobicContact CZ-CD1 3.69Å; F255-I312 HydrophobicContact CZ-CG2 4.17Å; L257-I312 HydrophobicContact CD1-CB 4.31Å; L268-I312 HydrophobicContact CD2-CB 4.34Å; L268-I312 HydrophobicContact CD2-CG2 3.23Å; L290-I312 HydrophobicContact CD2-CD1 3.94Å; Y303-I312 HydrophobicContact CD1-CD1 3.76Å; Y303-I312 HydrophobicContact CD1-CG1 3.67Å; Y303-I312 HydrophobicContact CD2-CD1 4.47Å; Y303-I312 HydrophobicContact CE1-CD1 4.44Å; Y303-I312 HydrophobicContact CG-CD1 3.78Å; Y303-I312 HydrophobicContact CG-CG1 3.87Å; E304-I312 WeakPolarHBondContact O-CA 3.3Å; I305-I312 HydrophobicContact CD1-CB 4.04Å; I305-I312 HydrophobicContact CD1-CD1 3.71Å; I305-I312 HydrophobicContact CD1-CG1 3.63Å; P310-I312 PolarHBondContact O-N 3.44Å |
| 313 | Q | 94.4 | Very high | 93.7 | Very high | 94 Ų | 94 | 69.6 Ų | 69.6 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 118.8 | 176.3 | -178.3 | 170 | -3.2 | 0 | 0 | 109.2 | Y303 E304 L315 | Y303-Q313 CarbonylContact C-O 3.48Å; Y303-Q313 WeakPolarHBondContact CA-O 3.28Å; E304-Q313 PolarHBondContact N-O 2.97Å; E304-Q313 PolarHBondContact O-N 3.36Å; Q313-L315 PolarHBondContact O-N 2.83Å |
| 314 | Y | 94.9 | Very high | 93.5 | Very high | 106 Ų | 106 | 69.6 Ų | 69.6 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 131.3 | 173.2 | 177.2 | -103.6 | 0 | 0 | 0 | 110.7 | R301 Y303 E317 | R301-Y314 HydrophobicContact CB-CE2 4.42Å; Y303-Y314 HydrophobicContact CD1-CD2 4.06Å; Y303-Y314 HydrophobicContact CD1-CG 4.49Å; Y303-Y314 AromaticContact CE1-CD2 3.61Å; Y303-Y314 HydrophobicContact CE1-CD2 3.61Å; Y303-Y314 HydrophobicContact CE1-CG 4.22Å; Y303-Y314 HydrophobicContact CE2-CD2 4.46Å; Y303-Y314 AromaticContact CZ-CD2 3.81Å; Y314-E317 PolarHBondContact OH-N 2.78Å |
| 315 | L | 94.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -75.2 | 178.3 | -59.3 | 174.1 | 0 | 0 | 0 | 110.2 | F17 M289 Y302 E304 Q313 | F17-L315 HydrophobicContact CB-CD1 4.02Å; M289-L315 HydrophobicContact CE-CD1 3.75Å; Y302-L315 HydrophobicContact CD2-CB 3.99Å; Y302-L315 HydrophobicContact CD2-CD1 4.33Å; Y302-L315 HydrophobicContact CE2-CB 4.36Å; Y302-L315 WeakPolarHBondContact O-CB 3.25Å; Y302-L315 PolarHBondContact O-N 3.02Å; E304-L315 HydrophobicContact CB-CD1 4.13Å; E304-L315 HydrophobicContact CB-CD2 4.15Å; E304-L315 HydrophobicContact CB-CG 4.28Å; Q313-L315 PolarHBondContact O-N 2.83Å |
| 316 | M | 94.3 | Very high | 93.3 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | -179.6 | -178.1 | -71 | -162.8 | 61.5 | 0 | 0 | 110 | Y302 | Y302-M316 HydrophobicContact CD2-CB 4.49Å; Y302-M316 HydrophobicContact CE2-CB 3.54Å; Y302-M316 PolarHBondContact N-O 2.8Å; Y302-M316 VanDerWaalsContact OH-CB 3.29Å; Y302-M316 WeakPolarHBondContact OH-CB 3.38Å |
| 317 | E | 95.5 | Very high | 93.5 | Very high | 40 Ų | 40 | 66.8 Ų | 66.8 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 141.9 | 172.4 | 65.5 | -176.6 | 174.2 | 0 | 0 | 110.7 | I300 R301 Y314 R319 | I300-E317 CarbonylContact O-C 3.53Å; I300-E317 VanDerWaalsContact O-CA 3.28Å; I300-E317 WeakPolarHBondContact O-CA 2.93Å; R301-E317 HydrophobicContact CB-CB 4.45Å; R301-E317 HydrophobicContact CG-CB 3.94Å; R301-E317 IonicContact NE-OE2 3.28Å; R301-E317 PolarHBondContact NE-OE2 2.93Å; Y314-E317 PolarHBondContact OH-N 2.78Å; E317-R319 HydrophobicContact CG-CG 4.1Å; E317-R319 IonicContact OE1-CZ 2.76Å; E317-R319 IonicContact OE1-NE 2.86Å; E317-R319 PolarHBondContact OE1-NE 3.26Å; E317-R319 IonicContact OE1-NH2 2.98Å; E317-R319 PolarHBondContact OE1-NH2 2.84Å |
| 318 | F | 96.8 | Very high | 93.8 | Very high | 20 Ų | 20 | 63 Ų | 63 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 135.8 | 165.7 | 169.2 | -102.3 | 0 | 0 | 0 | 107.9 | G22 A24 S299 I300 Y302 V358 M360 | G22-F318 WeakPolarHBondContact O-CD2 3.08Å; A24-F318 HydrophobicContact CB-CE2 4.47Å; A24-F318 HydrophobicContact CB-CZ 4.16Å; S299-F318 CarbonylContact C-O 3.58Å; S299-F318 WeakPolarHBondContact CA-O 3.27Å; S299-F318 VanDerWaalsContact CB-O 3.25Å; S299-F318 WeakPolarHBondContact CB-O 3.41Å; I300-F318 HydrophobicContact CB-CB 4.37Å; I300-F318 HydrophobicContact CD1-CD1 4.11Å; I300-F318 HydrophobicContact CG1-CD1 4.28Å; I300-F318 PolarHBondContact N-O 2.94Å; I300-F318 PolarHBondContact O-N 2.86Å; Y302-F318 HydrophobicContact CE1-CB 4.28Å; F318-V358 HydrophobicContact CD1-CG1 4.08Å; F318-V358 HydrophobicContact CD2-CG1 4.23Å; F318-V358 HydrophobicContact CE1-CG1 3.87Å; F318-V358 HydrophobicContact CE1-CG2 4.05Å; F318-V358 HydrophobicContact CE2-CG1 4.02Å; F318-V358 HydrophobicContact CG-CG1 4.25Å; F318-V358 HydrophobicContact CZ-CG1 3.84Å; F318-V358 HydrophobicContact CZ-CG2 4.13Å; F318-M360 HydrophobicContact CB-CE 4.14Å |
| 319 | R | 96 | Very high | 94.3 | Very high | 185 Ų | 185 | 58.1 Ų | 58.1 | 70% | 0.698 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.4 | 179.3 | -62.8 | -176.9 | -178.6 | 174.7 | 0.3 | 110.1 | E317 | E317-R319 HydrophobicContact CG-CG 4.1Å; E317-R319 IonicContact OE1-CZ 2.76Å; E317-R319 IonicContact OE1-NE 2.86Å; E317-R319 PolarHBondContact OE1-NE 3.26Å; E317-R319 IonicContact OE1-NH2 2.98Å; E317-R319 PolarHBondContact OE1-NH2 2.84Å |
| 320 | S | 94 | Very high | 94.7 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | trans | -138 | 153.5 | 172.8 | 169.7 | 0 | 0 | 0 | 0 | 109.5 | G298 T322 K347 | G298-S320 CarbonylContact C-O 3.47Å; G298-S320 VanDerWaalsContact CA-O 3.28Å; G298-S320 WeakPolarHBondContact CA-O 3.44Å; G298-S320 WeakPolarHBondContact O-CA 3.28Å; G298-S320 WeakPolarHBondContact O-CB 3.34Å; G298-S320 PolarHBondContact O-N 2.9Å; S320-T322 VanDerWaalsContact C-N 3.31Å; S320-T322 PolarHBondContact OG-N 3.42Å; S320-T322 PolarHBondContact OG-OG1 2.62Å; S320-T322 VanDerWaalsContact OG-OG1 3.11Å; S320-K347 VanDerWaalsContact CB-NZ 3.29Å; S320-K347 PolarHBondContact OG-NZ 3.15Å | ||
| 321 | H | 92.7 | Very high | 95 | Very high | 199 Ų | 199 | 48.4 Ų | 48.4 | 92% | 0.921 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -79.7 | -14.5 | -179.5 | -59.1 | -73.4 | 0 | 0 | 0 | 113.1 | ||
| 322 | T | 93.5 | Very high | 95.2 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -92.8 | 131.1 | -178.2 | 53 | 0 | 0 | 0 | 0 | 110.7 | G298 S320 K347 V349 K352 | G298-T322 VanDerWaalsContact CA-O 3.3Å; G298-T322 WeakPolarHBondContact CA-O 3.31Å; S320-T322 VanDerWaalsContact C-N 3.31Å; S320-T322 PolarHBondContact OG-N 3.42Å; S320-T322 PolarHBondContact OG-OG1 2.62Å; S320-T322 VanDerWaalsContact OG-OG1 3.11Å; T322-K347 VanDerWaalsContact O-CE 3.31Å; T322-K347 WeakPolarHBondContact O-CE 3.5Å; T322-K347 PolarHBondContact O-NZ 3.43Å; T322-K347 PolarHBondContact OG1-NZ 2.85Å; T322-V349 HydrophobicContact CG2-CG1 4.22Å; T322-K352 HydrophobicContact CG2-CD 4.32Å |
| 323 | P | 94.3 | Very high | 95.2 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 34% | 0.338 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -74.1 | 137.7 | 175.6 | 30.1 | -34.2 | 0 | 0 | 0 | 110.8 | G296 D297 V351 | G296-P323 VanDerWaalsContact O-CB 3.28Å; G296-P323 WeakPolarHBondContact O-CB 3.38Å; D297-P323 CarbonylContact O-C 3.55Å; D297-P323 WeakPolarHBondContact O-CA 3.44Å; P323-V351 HydrophobicContact CG-CG2 4.35Å |
| 324 | Q | 94.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.023 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -89.7 | 134.7 | 174.6 | 69 | -148.8 | 4.2 | 0 | 0 | 111.5 | G294 G296 D297 S299 K347 V348 | G294-Q324 VanDerWaalsContact O-CG 3.23Å; G294-Q324 WeakPolarHBondContact O-CG 3.28Å; G294-Q324 PolarHBondContact O-NE2 3.45Å; G296-Q324 PolarHBondContact N-O 3.28Å; D297-Q324 VanDerWaalsContact O-CG 3.29Å; D297-Q324 WeakPolarHBondContact O-CG 3.36Å; D297-Q324 PolarHBondContact O-N 2.71Å; S299-Q324 PolarHBondContact O-NE2 2.96Å; Q324-K347 HydrophobicContact CB-CD 4.29Å; Q324-K347 HydrophobicContact CB-CG 3.68Å; Q324-V348 WeakPolarHBondContact CA-O 3.23Å |
| 325 | K | 93.3 | Very high | 95.4 | Very high | 39 Ų | 39 | 42 Ų | 42 | 17% | 0.17 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -88.2 | -36.3 | 173.7 | -178.7 | 72.6 | -177.8 | -160.9 | 0 | 111.8 | S39 F45 V348 T350 | S39-K325 WeakPolarHBondContact O-CE 3.44Å; S39-K325 PolarHBondContact O-NZ 2.62Å; F45-K325 HydrophobicContact CD2-CG 4.08Å; F45-K325 HydrophobicContact CE2-CG 4.07Å; K325-V348 PolarHBondContact N-O 2.81Å; K325-T350 HydrophobicContact CB-CG2 3.61Å; K325-T350 HydrophobicContact CD-CG2 4.24Å; K325-T350 HydrophobicContact CG-CG2 3.7Å |
| 326 | G | 93.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 179.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | H44 V348 | H44-G326 CarbonylContact O-C 3.59Å; H44-G326 VanDerWaalsContact O-CA 3.31Å; H44-G326 WeakPolarHBondContact O-CA 3.14Å; G326-V348 WeakPolarHBondContact O-CB 3.31Å; G326-V348 PolarHBondContact O-N 3.37Å |
| 327 | M | 95.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 126.8 | -173.8 | -156.1 | 158 | 59.3 | 0 | 0 | 111.2 | H44 F282 A293 I300 F345 Y346 | H44-M327 WeakPolarHBondContact CB-O 3.47Å; H44-M327 PolarHBondContact O-N 3.2Å; H44-M327 VanDerWaalsContact O-N 3.07Å; F282-M327 HydrophobicContact CD2-CE 3.6Å; F282-M327 HydrophobicContact CE1-CE 4.47Å; F282-M327 HydrophobicContact CE2-CE 3.02Å; F282-M327 HydrophobicContact CZ-CB 4.18Å; F282-M327 HydrophobicContact CZ-CE 3.51Å; A293-M327 HydrophobicContact CB-CE 3.2Å; A293-M327 HydrophobicContact CB-SD 4.08Å; I300-M327 HydrophobicContact CD1-SD 3.81Å; M327-F345 HydrophobicContact CE-CD1 3.2Å; M327-F345 HydrophobicContact CE-CE1 3.2Å; M327-F345 HydrophobicContact CE-CG 4.1Å; M327-F345 HydrophobicContact CE-CZ 4.16Å; M327-F345 HydrophobicContact CG-CB 3.96Å; M327-F345 HydrophobicContact CG-CD1 3.63Å; M327-F345 HydrophobicContact CG-CG 4.18Å; M327-F345 HydrophobicContact SD-CB 3.81Å; M327-F345 HydrophobicContact SD-CD1 3.27Å; M327-F345 WeakPolarHBondContact SD-CD1 3.43Å; M327-F345 HydrophobicContact SD-CE1 3.9Å; M327-F345 HydrophobicContact SD-CG 3.64Å; M327-Y346 WeakPolarHBondContact CA-O 3.44Å |
| 328 | G | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 156.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.8 | C46 F345 Y346 | C46-G328 WeakPolarHBondContact O-CA 3.49Å; G328-F345 CarbonylContact O-C 3.58Å; G328-F345 WeakPolarHBondContact O-CA 3.34Å; G328-Y346 PolarHBondContact N-O 2.98Å; G328-Y346 PolarHBondContact O-N 2.98Å |
| 329 | V | 97.8 | Very high | 95 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.9 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 109.2 | F282 F343 F345 | F282-V329 HydrophobicContact CD1-CG2 3.41Å; F282-V329 VanDerWaalsContact CD1-CG2 3.41Å; F282-V329 HydrophobicContact CE1-CG2 3.55Å; F282-V329 HydrophobicContact CG-CG2 4.17Å; F282-V329 HydrophobicContact CZ-CG2 4.44Å; V329-F343 HydrophobicContact CB-CE1 4.32Å; V329-F343 HydrophobicContact CB-CZ 4.37Å; V329-F343 HydrophobicContact CG1-CD1 4.5Å; V329-F343 HydrophobicContact CG1-CE1 3.51Å; V329-F343 HydrophobicContact CG1-CE2 4.16Å; V329-F343 HydrophobicContact CG1-CZ 3.33Å; V329-F343 HydrophobicContact CG2-CE1 3.88Å; V329-F343 HydrophobicContact CG2-CZ 4.09Å; V329-F345 HydrophobicContact CG2-CD1 3.93Å; V329-F345 HydrophobicContact CG2-CE1 4Å |
| 330 | M | 98.2 | Very high | 95 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | trans | -78.5 | 127.3 | 172.6 | -175.6 | 54.1 | 80.2 | 0 | 0 | 110.2 | V48 N49 V70 L335 R344 Y346 | V48-M330 HydrophobicContact CG1-CE 3.47Å; V48-M330 VanDerWaalsContact CG1-CE 3.47Å; V48-M330 HydrophobicContact CG1-SD 4.06Å; N49-M330 WeakPolarHBondContact O-CE 3.39Å; V70-M330 HydrophobicContact CG1-CE 4.13Å; V70-M330 HydrophobicContact CG2-CE 4.05Å; M330-L335 HydrophobicContact CB-CD2 4.07Å; M330-L335 HydrophobicContact CG-CD2 3.96Å; M330-R344 HydrophobicContact CB-CB 3.85Å; M330-R344 PolarHBondContact N-O 2.76Å; M330-Y346 HydrophobicContact CB-CE2 4.23Å; M330-Y346 HydrophobicContact CE-CE2 3.86Å; M330-Y346 VanDerWaalsContact CE-OH 3.31Å; M330-Y346 WeakPolarHBondContact CE-OH 3.47Å | ||
| 331 | P | 97.4 | Very high | 95.1 | Very high | 48 Ų | 48 | 36 Ų | 36 | 31% | 0.312 | 20% | 0.202 | S | C | . | . | trans | -60.2 | 153.9 | 168.6 | -23.3 | 34.4 | 0 | 0 | 0 | 111.6 | V48 R333 G334 | V48-P331 WeakPolarHBondContact O-CD 2.97Å; P331-R333 PolarHBondContact O-N 3.01Å; P331-G334 PolarHBondContact O-N 3.4Å | ||
| 332 | K | 96.8 | Very high | 95.3 | Very high | 23 Ų | 23 | 26.5 Ų | 26.5 | 10% | 0.1 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -48.4 | -37.4 | -178.7 | -72.4 | -72.3 | -176.9 | 178.6 | 0 | 114.6 | D284 D286 G334 L335 V342 T377 L402 | D284-K332 VanDerWaalsContact CG-CE 3.43Å; D284-K332 VanDerWaalsContact CG-NZ 3.25Å; D284-K332 WeakPolarHBondContact OD1-CE 3.3Å; D284-K332 IonicContact OD1-NZ 2.77Å; D284-K332 PolarHBondContact OD1-NZ 2.74Å; D284-K332 WeakPolarHBondContact OD2-CE 2.93Å; D284-K332 IonicContact OD2-NZ 3.5Å; D284-K332 PolarHBondContact OD2-NZ 2.9Å; D286-K332 WeakPolarHBondContact OD2-CD 3.49Å; D286-K332 WeakPolarHBondContact OD2-CE 3.25Å; D286-K332 WeakPolarHBondContact OD2-CG 3.16Å; D286-K332 IonicContact OD2-NZ 3.5Å; K332-G334 PolarHBondContact O-N 2.93Å; K332-L335 HydrophobicContact CD-CD1 3.75Å; K332-L335 PolarHBondContact O-N 3.34Å; K332-V342 PolarHBondContact NZ-O 3.17Å; K332-T377 HydrophobicContact CB-CG2 4.15Å; K332-T377 WeakPolarHBondContact CB-OG1 3.45Å; K332-T377 WeakPolarHBondContact CG-OG1 3.37Å; K332-L402 HydrophobicContact CB-CD1 4.2Å |
| 333 | R | 95.7 | Very high | 95.5 | Very high | 58 Ų | 58 | 26.2 Ų | 26.2 | 22% | 0.219 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -61.1 | -22.7 | 178 | -63.2 | -178 | -66.3 | 111.7 | -5.6 | 114.8 | P50 D100 P331 M400 | P50-R333 HydrophobicContact CG-CB 3.92Å; D100-R333 IonicContact OD1-CZ 3.15Å; D100-R333 IonicContact OD1-NH1 3.21Å; D100-R333 PolarHBondContact OD1-NH1 2.78Å; D100-R333 IonicContact OD1-NH2 3.48Å; D100-R333 PolarHBondContact OD1-NH2 3.46Å; D100-R333 IonicContact OD2-CZ 2.82Å; D100-R333 IonicContact OD2-NH1 3.27Å; D100-R333 PolarHBondContact OD2-NH1 3.07Å; D100-R333 IonicContact OD2-NH2 3.43Å; P331-R333 PolarHBondContact O-N 3.01Å; R333-M400 HydrophobicContact CG-SD 3.96Å |
| 334 | G | 95.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 18% | 0.175 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -103.2 | 5.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P331 K332 R344 | P331-G334 PolarHBondContact O-N 3.4Å; K332-G334 PolarHBondContact O-N 2.93Å; G334-R344 PolarHBondContact O-NH1 2.75Å |
| 335 | L | 96.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 25 Ų | 25 | 9% | 0.089 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -78.7 | 151.5 | 177.4 | -60 | -179 | 0 | 0 | 0 | 111.6 | M330 K332 V337 E341 V342 R344 | M330-L335 HydrophobicContact CB-CD2 4.07Å; M330-L335 HydrophobicContact CG-CD2 3.96Å; K332-L335 HydrophobicContact CD-CD1 3.75Å; K332-L335 PolarHBondContact O-N 3.34Å; L335-V337 PolarHBondContact O-N 2.89Å; L335-E341 WeakPolarHBondContact CA-OE2 3.28Å; L335-E341 HydrophobicContact CD2-CG 4.36Å; L335-V342 VanDerWaalsContact CD1-C 3.46Å; L335-V342 WeakPolarHBondContact CD1-O 3.17Å; L335-R344 HydrophobicContact CD2-CB 3.65Å |
| 336 | D | 94.7 | Very high | 96.1 | Very high | 62 Ų | 62 | 23.5 Ų | 23.5 | 33% | 0.332 | 14% | 0.137 | S | C | . | . | trans | -86.6 | 93.3 | 173 | 178 | 20.6 | 0 | 0 | 0 | 110.4 | S338 S339 E341 | D336-S338 PolarHBondContact O-N 3.3Å; D336-S338 WeakPolarHBondContact OD1-CB 3.19Å; D336-S338 PolarHBondContact OD1-N 3.17Å; D336-S338 VanDerWaalsContact OD1-N 3.09Å; D336-S338 PolarHBondContact OD1-OG 2.91Å; D336-S338 PolarHBondContact OD2-OG 3.48Å; D336-S339 PolarHBondContact O-N 3.02Å; D336-S339 PolarHBondContact O-OG 3.46Å; D336-S339 VanDerWaalsContact OD2-CB 3.24Å; D336-S339 WeakPolarHBondContact OD2-CB 3.42Å; D336-S339 PolarHBondContact OD2-OG 2.78Å; D336-E341 PolarHBondContact N-OE2 2.77Å; D336-E341 VanDerWaalsContact O-CB 3.31Å; D336-E341 WeakPolarHBondContact O-CB 3.18Å; D336-E341 PolarHBondContact O-N 3.5Å | ||
| 337 | V | 94.1 | Very high | 96.3 | Very high | 21 Ų | 21 | 23.5 Ų | 23.5 | 13% | 0.127 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -62.2 | -29.5 | 179.2 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | L335 S339 C340 Y369 Y374 L402 | L335-V337 PolarHBondContact O-N 2.89Å; V337-S339 VanDerWaalsContact C-N 3.33Å; V337-S339 PolarHBondContact O-N 3.2Å; V337-C340 PolarHBondContact O-N 2.97Å; V337-Y369 HydrophobicContact CG1-CD2 3.28Å; V337-Y369 HydrophobicContact CG1-CE2 3.29Å; V337-Y374 HydrophobicContact CB-CE2 4.39Å; V337-Y374 HydrophobicContact CG1-CD2 3.95Å; V337-Y374 HydrophobicContact CG1-CE2 3.71Å; V337-Y374 HydrophobicContact CG2-CE1 4.48Å; V337-L402 HydrophobicContact CG2-CB 4.07Å |
| 338 | S | 92.3 | Very high | 96.4 | Very high | 89 Ų | 89 | 23.3 Ų | 23.3 | 62% | 0.622 | 14% | 0.136 | S | C | * | . | G | 310 helix | trans | -69 | -33.4 | -177 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | D336 C340 | D336-S338 PolarHBondContact O-N 3.3Å; D336-S338 WeakPolarHBondContact OD1-CB 3.19Å; D336-S338 PolarHBondContact OD1-N 3.17Å; D336-S338 VanDerWaalsContact OD1-N 3.09Å; D336-S338 PolarHBondContact OD1-OG 2.91Å; D336-S338 PolarHBondContact OD2-OG 3.48Å; S338-C340 VanDerWaalsContact C-N 3.31Å; S338-C340 PolarHBondContact O-N 2.78Å |
| 339 | S | 92.9 | Very high | 96.3 | Very high | 48 Ų | 48 | 23.3 Ų | 23.3 | 34% | 0.336 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -90.4 | 11.6 | 177.3 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | D336 V337 E341 I361 | D336-S339 PolarHBondContact O-N 3.02Å; D336-S339 PolarHBondContact O-OG 3.46Å; D336-S339 VanDerWaalsContact OD2-CB 3.24Å; D336-S339 WeakPolarHBondContact OD2-CB 3.42Å; D336-S339 PolarHBondContact OD2-OG 2.78Å; V337-S339 VanDerWaalsContact C-N 3.33Å; V337-S339 PolarHBondContact O-N 3.2Å; S339-E341 PolarHBondContact O-N 3.24Å; S339-I361 VanDerWaalsContact O-CG2 3.28Å; S339-I361 WeakPolarHBondContact O-CG2 3.43Å |
| 340 | C | 95.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 24 Ų | 24 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 33.5 | -175.7 | -61.5 | 0 | 0 | 0 | 0 | 113 | V337 S338 V342 V362 I373 Y374 | V337-C340 PolarHBondContact O-N 2.97Å; S338-C340 VanDerWaalsContact C-N 3.31Å; S338-C340 PolarHBondContact O-N 2.78Å; C340-V342 PolarHBondContact O-N 2.65Å; C340-V362 WeakPolarHBondContact CB-O 3.39Å; C340-V362 PolarHBondContact O-N 2.89Å; C340-I373 HydrophobicContact CB-CD1 4.08Å; C340-Y374 WeakPolarHBondContact CA-OH 3.38Å |
| 341 | E | 96.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 121.8 | 173.3 | -172.2 | -171.7 | -128.2 | 0 | 0 | 110.4 | L335 D336 S339 R344 S359 M360 I361 Y374 | L335-E341 WeakPolarHBondContact CA-OE2 3.28Å; L335-E341 HydrophobicContact CD2-CG 4.36Å; D336-E341 PolarHBondContact N-OE2 2.77Å; D336-E341 VanDerWaalsContact O-CB 3.31Å; D336-E341 WeakPolarHBondContact O-CB 3.18Å; D336-E341 PolarHBondContact O-N 3.5Å; S339-E341 PolarHBondContact O-N 3.24Å; E341-R344 WeakPolarHBondContact OE1-CB 3.41Å; E341-R344 WeakPolarHBondContact OE1-CG 3.46Å; E341-R344 IonicContact OE1-CZ 3.96Å; E341-R344 IonicContact OE1-NE 2.75Å; E341-R344 PolarHBondContact OE1-NE 3.44Å; E341-R344 IonicContact OE1-NH2 2.67Å; E341-R344 PolarHBondContact OE1-NH2 2.82Å; E341-R344 IonicContact OE2-CZ 2.64Å; E341-R344 IonicContact OE2-NE 2.82Å; E341-R344 PolarHBondContact OE2-NE 2.86Å; E341-R344 IonicContact OE2-NH2 3.8Å; E341-R344 PolarHBondContact OE2-NH2 2.96Å; E341-S359 WeakPolarHBondContact OE1-CB 3.19Å; E341-S359 PolarHBondContact OE1-OG 2.84Å; E341-M360 WeakPolarHBondContact CA-O 3.31Å; E341-I361 HydrophobicContact CB-CG1 4.5Å; E341-Y374 VanDerWaalsContact C-OH 3.29Å; E341-Y374 PolarHBondContact N-OH 2.72Å; E341-Y374 VanDerWaalsContact N-OH 3.08Å; E341-Y374 WeakPolarHBondContact O-CE1 3.5Å; E341-Y374 PolarHBondContact O-OH 3.27Å |
| 342 | V | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -20.6 | -179.1 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | T287 M289 K332 L335 C340 M360 V362 I373 Y374 | T287-V342 HydrophobicContact CG2-CB 4.43Å; M289-V342 HydrophobicContact SD-CG2 4.42Å; K332-V342 PolarHBondContact NZ-O 3.17Å; L335-V342 VanDerWaalsContact CD1-C 3.46Å; L335-V342 WeakPolarHBondContact CD1-O 3.17Å; C340-V342 PolarHBondContact O-N 2.65Å; V342-M360 HydrophobicContact CG2-CB 4.38Å; V342-M360 WeakPolarHBondContact CG2-O 3.46Å; V342-M360 PolarHBondContact N-O 2.96Å; V342-V362 HydrophobicContact CB-CG2 4.43Å; V342-V362 HydrophobicContact CG1-CG2 3.51Å; V342-V362 HydrophobicContact CG2-CG2 4.03Å; V342-I373 HydrophobicContact CG1-CB 4.49Å; V342-I373 HydrophobicContact CG1-CD1 4.28Å; V342-Y374 HydrophobicContact CG1-CE1 4.42Å |
| 343 | F | 97.8 | Very high | 95 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 143.3 | -179.6 | -151 | -89 | 0 | 0 | 0 | 110.1 | F282 D284 Y291 V329 F345 M360 | F282-F343 HydrophobicContact CB-CZ 4.07Å; D284-F343 HydrophobicContact CB-CD2 4.06Å; D284-F343 HydrophobicContact CB-CE2 4.04Å; Y291-F343 HydrophobicContact CD2-CD1 4.32Å; Y291-F343 HydrophobicContact CD2-CD2 4.29Å; Y291-F343 HydrophobicContact CD2-CE1 4.36Å; Y291-F343 HydrophobicContact CD2-CE2 4.31Å; Y291-F343 HydrophobicContact CD2-CG 4.28Å; Y291-F343 HydrophobicContact CD2-CZ 4.33Å; Y291-F343 HydrophobicContact CE2-CB 4Å; Y291-F343 HydrophobicContact CE2-CD1 4.11Å; Y291-F343 AromaticContact CE2-CD2 3.65Å; Y291-F343 HydrophobicContact CE2-CD2 3.65Å; Y291-F343 HydrophobicContact CE2-CE2 4.09Å; Y291-F343 AromaticContact CE2-CG 3.64Å; Y291-F343 HydrophobicContact CE2-CG 3.64Å; Y291-F343 HydrophobicContact CE2-CZ 4.48Å; Y291-F343 AromaticContact CZ-CG 3.94Å; Y291-F343 WeakPolarHBondContact OH-CB 3.49Å; V329-F343 HydrophobicContact CB-CE1 4.32Å; V329-F343 HydrophobicContact CB-CZ 4.37Å; V329-F343 HydrophobicContact CG1-CD1 4.5Å; V329-F343 HydrophobicContact CG1-CE1 3.51Å; V329-F343 HydrophobicContact CG1-CE2 4.16Å; V329-F343 HydrophobicContact CG1-CZ 3.33Å; V329-F343 HydrophobicContact CG2-CE1 3.88Å; V329-F343 HydrophobicContact CG2-CZ 4.09Å; F343-F345 HydrophobicContact CD1-CD1 4.28Å; F343-F345 AromaticContact CD1-CD2 3.96Å; F343-F345 HydrophobicContact CD1-CD2 3.96Å; F343-F345 AromaticContact CD1-CE1 3.88Å; F343-F345 HydrophobicContact CD1-CE1 3.88Å; F343-F345 AromaticContact CD1-CE2 3.46Å; F343-F345 HydrophobicContact CD1-CE2 3.46Å; F343-F345 VanDerWaalsContact CD1-CE2 3.46Å; F343-F345 HydrophobicContact CD1-CG 4.35Å; F343-F345 AromaticContact CD1-CZ 3.42Å; F343-F345 HydrophobicContact CD1-CZ 3.42Å; F343-F345 VanDerWaalsContact CD1-CZ 3.42Å; F343-F345 AromaticContact CE1-CD1 3.85Å; F343-F345 HydrophobicContact CE1-CD1 3.85Å; F343-F345 HydrophobicContact CE1-CD2 4.34Å; F343-F345 AromaticContact CE1-CE1 3.29Å; F343-F345 HydrophobicContact CE1-CE1 3.29Å; F343-F345 AromaticContact CE1-CE2 3.79Å; F343-F345 HydrophobicContact CE1-CE2 3.79Å; F343-F345 HydrophobicContact CE1-CG 4.37Å; F343-F345 AromaticContact CE1-CZ 3.23Å; F343-F345 HydrophobicContact CE1-CZ 3.23Å; F343-F345 HydrophobicContact CZ-CE1 4.28Å; F343-F345 HydrophobicContact CZ-CZ 4.26Å; F343-M360 HydrophobicContact CB-CB 3.94Å; F343-M360 HydrophobicContact CB-CG 4.15Å; F343-M360 WeakPolarHBondContact O-CB 3.49Å; F343-M360 PolarHBondContact O-N 2.87Å |
| 344 | R | 98.3 | Very high | 95 | Very high | 33 Ų | 33 | 32.3 Ų | 32.3 | 13% | 0.125 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 123.5 | 176.1 | -170.4 | -170.7 | -62.6 | 148.2 | -1.5 | 110.9 | M330 G334 L335 E341 Y346 V358 | M330-R344 HydrophobicContact CB-CB 3.85Å; M330-R344 PolarHBondContact N-O 2.76Å; G334-R344 PolarHBondContact O-NH1 2.75Å; L335-R344 HydrophobicContact CD2-CB 3.65Å; E341-R344 WeakPolarHBondContact OE1-CB 3.41Å; E341-R344 WeakPolarHBondContact OE1-CG 3.46Å; E341-R344 IonicContact OE1-CZ 3.96Å; E341-R344 IonicContact OE1-NE 2.75Å; E341-R344 PolarHBondContact OE1-NE 3.44Å; E341-R344 IonicContact OE1-NH2 2.67Å; E341-R344 PolarHBondContact OE1-NH2 2.82Å; E341-R344 IonicContact OE2-CZ 2.64Å; E341-R344 IonicContact OE2-NE 2.82Å; E341-R344 PolarHBondContact OE2-NE 2.86Å; E341-R344 IonicContact OE2-NH2 3.8Å; E341-R344 PolarHBondContact OE2-NH2 2.96Å; R344-Y346 HydrophobicContact CG-CE2 4.14Å; R344-V358 WeakPolarHBondContact CA-O 3.19Å |
| 345 | F | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 152.2 | 172.8 | -65.7 | -75.9 | 0 | 0 | 0 | 111.1 | F282 Y291 I300 M327 G328 V329 F343 P357 V358 M360 | F282-F345 HydrophobicContact CB-CE1 4.33Å; F282-F345 AromaticContact CD2-CE1 3.89Å; F282-F345 HydrophobicContact CD2-CE1 3.89Å; F282-F345 HydrophobicContact CE2-CE1 4.36Å; F282-F345 AromaticContact CG-CE1 4Å; F282-F345 HydrophobicContact CG-CE1 4Å; Y291-F345 AromaticContact CD1-CE2 3.75Å; Y291-F345 HydrophobicContact CD1-CE2 3.75Å; Y291-F345 AromaticContact CD1-CZ 3.84Å; Y291-F345 HydrophobicContact CD1-CZ 3.84Å; Y291-F345 HydrophobicContact CD2-CZ 4.06Å; Y291-F345 HydrophobicContact CE1-CE2 4.26Å; Y291-F345 AromaticContact CG-CE2 3.97Å; Y291-F345 HydrophobicContact CG-CE2 3.97Å; Y291-F345 AromaticContact CG-CZ 3.55Å; Y291-F345 HydrophobicContact CG-CZ 3.55Å; I300-F345 HydrophobicContact CD1-CD2 4.05Å; I300-F345 HydrophobicContact CD1-CE2 4.43Å; I300-F345 HydrophobicContact CD1-CG 4.29Å; I300-F345 HydrophobicContact CG2-CE2 4.21Å; I300-F345 HydrophobicContact CG2-CZ 4.35Å; M327-F345 HydrophobicContact CE-CD1 3.2Å; M327-F345 HydrophobicContact CE-CE1 3.2Å; M327-F345 HydrophobicContact CE-CG 4.1Å; M327-F345 HydrophobicContact CE-CZ 4.16Å; M327-F345 HydrophobicContact CG-CB 3.96Å; M327-F345 HydrophobicContact CG-CD1 3.63Å; M327-F345 HydrophobicContact CG-CG 4.18Å; M327-F345 HydrophobicContact SD-CB 3.81Å; M327-F345 HydrophobicContact SD-CD1 3.27Å; M327-F345 WeakPolarHBondContact SD-CD1 3.43Å; M327-F345 HydrophobicContact SD-CE1 3.9Å; M327-F345 HydrophobicContact SD-CG 3.64Å; G328-F345 CarbonylContact O-C 3.58Å; G328-F345 WeakPolarHBondContact O-CA 3.34Å; V329-F345 HydrophobicContact CG2-CD1 3.93Å; V329-F345 HydrophobicContact CG2-CE1 4Å; F343-F345 HydrophobicContact CD1-CD1 4.28Å; F343-F345 AromaticContact CD1-CD2 3.96Å; F343-F345 HydrophobicContact CD1-CD2 3.96Å; F343-F345 AromaticContact CD1-CE1 3.88Å; F343-F345 HydrophobicContact CD1-CE1 3.88Å; F343-F345 AromaticContact CD1-CE2 3.46Å; F343-F345 HydrophobicContact CD1-CE2 3.46Å; F343-F345 VanDerWaalsContact CD1-CE2 3.46Å; F343-F345 HydrophobicContact CD1-CG 4.35Å; F343-F345 AromaticContact CD1-CZ 3.42Å; F343-F345 HydrophobicContact CD1-CZ 3.42Å; F343-F345 VanDerWaalsContact CD1-CZ 3.42Å; F343-F345 AromaticContact CE1-CD1 3.85Å; F343-F345 HydrophobicContact CE1-CD1 3.85Å; F343-F345 HydrophobicContact CE1-CD2 4.34Å; F343-F345 AromaticContact CE1-CE1 3.29Å; F343-F345 HydrophobicContact CE1-CE1 3.29Å; F343-F345 AromaticContact CE1-CE2 3.79Å; F343-F345 HydrophobicContact CE1-CE2 3.79Å; F343-F345 HydrophobicContact CE1-CG 4.37Å; F343-F345 AromaticContact CE1-CZ 3.23Å; F343-F345 HydrophobicContact CE1-CZ 3.23Å; F343-F345 HydrophobicContact CZ-CE1 4.28Å; F343-F345 HydrophobicContact CZ-CZ 4.26Å; F345-P357 CarbonylContact O-C 3.51Å; F345-P357 VanDerWaalsContact O-CA 3.23Å; F345-P357 WeakPolarHBondContact O-CA 3.42Å; F345-V358 HydrophobicContact CB-CB 4.32Å; F345-V358 PolarHBondContact N-O 2.75Å; F345-V358 PolarHBondContact O-N 3.24Å; F345-M360 HydrophobicContact CD2-CE 3.64Å; F345-M360 HydrophobicContact CD2-CG 4.22Å; F345-M360 HydrophobicContact CE2-CE 3.55Å; F345-M360 HydrophobicContact CE2-CG 3.98Å |
| 346 | Y | 98 | Very high | 95.1 | Very high | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 89.8 | 166 | -76.1 | -106.2 | 0 | 0 | 0 | 107.3 | F31 V48 V53 M327 G328 M330 R344 V348 I355 P357 | F31-Y346 HydrophobicContact CE2-CD1 4.44Å; F31-Y346 HydrophobicContact CE2-CE1 4.03Å; V48-Y346 HydrophobicContact CB-CD2 4.17Å; V48-Y346 HydrophobicContact CB-CE2 4.35Å; V48-Y346 HydrophobicContact CG1-CD2 3.98Å; V48-Y346 HydrophobicContact CG1-CE2 3.67Å; V48-Y346 HydrophobicContact CG2-CD1 4.25Å; V48-Y346 HydrophobicContact CG2-CD2 3.69Å; V48-Y346 HydrophobicContact CG2-CE2 4.25Å; V48-Y346 HydrophobicContact CG2-CG 3.7Å; V53-Y346 HydrophobicContact CG1-CD1 4.28Å; V53-Y346 HydrophobicContact CG2-CD1 3.77Å; V53-Y346 HydrophobicContact CG2-CE1 3.44Å; V53-Y346 VanDerWaalsContact CG2-CE1 3.44Å; M327-Y346 WeakPolarHBondContact CA-O 3.44Å; G328-Y346 PolarHBondContact N-O 2.98Å; G328-Y346 PolarHBondContact O-N 2.98Å; M330-Y346 HydrophobicContact CB-CE2 4.23Å; M330-Y346 HydrophobicContact CE-CE2 3.86Å; M330-Y346 VanDerWaalsContact CE-OH 3.31Å; M330-Y346 WeakPolarHBondContact CE-OH 3.47Å; R344-Y346 HydrophobicContact CG-CE2 4.14Å; Y346-V348 PolarHBondContact O-N 3.02Å; Y346-I355 HydrophobicContact CD1-CG2 4.02Å; Y346-I355 HydrophobicContact CG-CG2 4.48Å; Y346-P357 HydrophobicContact CD1-CG 4.07Å; Y346-P357 HydrophobicContact CE1-CB 4.36Å; Y346-P357 HydrophobicContact CE1-CG 3.87Å |
| 347 | K | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122 | -175.4 | -174.2 | -173.4 | 177.9 | -171.6 | 0 | 109.8 | S320 T322 Q324 V349 I355 E356 V358 | S320-K347 VanDerWaalsContact CB-NZ 3.29Å; S320-K347 PolarHBondContact OG-NZ 3.15Å; T322-K347 VanDerWaalsContact O-CE 3.31Å; T322-K347 WeakPolarHBondContact O-CE 3.5Å; T322-K347 PolarHBondContact O-NZ 3.43Å; T322-K347 PolarHBondContact OG1-NZ 2.85Å; Q324-K347 HydrophobicContact CB-CD 4.29Å; Q324-K347 HydrophobicContact CB-CG 3.68Å; K347-V349 HydrophobicContact CD-CG2 4.15Å; K347-V349 HydrophobicContact CG-CG2 4.09Å; K347-I355 WeakPolarHBondContact O-CA 3.47Å; K347-E356 HydrophobicContact CB-CB 4.42Å; K347-E356 VanDerWaalsContact CB-O 3.31Å; K347-E356 WeakPolarHBondContact CB-O 3.3Å; K347-E356 PolarHBondContact N-O 3.04Å; K347-E356 IonicContact NZ-OE2 2.96Å; K347-E356 PolarHBondContact O-N 3.37Å; K347-V358 HydrophobicContact CB-CG2 4.36Å |
| 348 | V | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 113.3 | -179.1 | -177 | 0 | 0 | 0 | 0 | 109.4 | I36 C46 I55 Q324 K325 G326 Y346 | I36-V348 HydrophobicContact CB-CG1 4.46Å; I36-V348 HydrophobicContact CD1-CG1 3.63Å; I36-V348 HydrophobicContact CG1-CG1 4.01Å; I36-V348 HydrophobicContact CG2-CG1 3.6Å; C46-V348 HydrophobicContact CB-CG2 3.52Å; I55-V348 HydrophobicContact CD1-CG1 3.9Å; I55-V348 HydrophobicContact CD1-CG2 3.83Å; Q324-V348 WeakPolarHBondContact CA-O 3.23Å; K325-V348 PolarHBondContact N-O 2.81Å; G326-V348 WeakPolarHBondContact O-CB 3.31Å; G326-V348 PolarHBondContact O-N 3.37Å; Y346-V348 PolarHBondContact O-N 3.02Å |
| 349 | V | 95.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 103.2 | -176.7 | -178.2 | 0 | 0 | 0 | 0 | 110 | T322 K347 K352 S353 L354 | T322-V349 HydrophobicContact CG2-CG1 4.22Å; K347-V349 HydrophobicContact CD-CG2 4.15Å; K347-V349 HydrophobicContact CG-CG2 4.09Å; V349-K352 HydrophobicContact CG1-CB 4.36Å; V349-S353 PolarHBondContact O-N 3.01Å; V349-L354 HydrophobicContact CB-CB 4.38Å; V349-L354 PolarHBondContact N-O 2.83Å; V349-L354 PolarHBondContact O-N 3.28Å |
| 350 | T | 91.1 | Very high | 95.9 | Very high | 54 Ų | 54 | 23.2 Ų | 23.2 | 33% | 0.331 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -69.7 | -36.5 | -175.9 | 49.1 | 0 | 0 | 0 | 0 | 113.7 | I36 K325 K352 S353 | I36-T350 HydrophobicContact CB-CG2 4.34Å; I36-T350 HydrophobicContact CG2-CG2 3.74Å; K325-T350 HydrophobicContact CB-CG2 3.61Å; K325-T350 HydrophobicContact CD-CG2 4.24Å; K325-T350 HydrophobicContact CG-CG2 3.7Å; T350-K352 PolarHBondContact O-N 2.87Å; T350-K352 VanDerWaalsContact O-N 3.16Å; T350-S353 PolarHBondContact O-N 3.02Å; T350-S353 VanDerWaalsContact O-N 3.15Å |
| 351 | V | 88.9 | Confident | 96 | Very high | 116 Ų | 116 | 23.8 Ų | 23.8 | 70% | 0.703 | 13% | 0.129 | S | C | * | . | G | 310 helix | trans | -61 | -28.5 | -176.2 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | P323 | P323-V351 HydrophobicContact CG-CG2 4.35Š|
| 352 | K | 89.3 | Confident | 96 | Very high | 124 Ų | 124 | 23.8 Ų | 23.8 | 54% | 0.539 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -111.6 | 3.6 | -180 | -65 | -174.1 | 178.3 | -179 | 0 | 113.2 | T322 V349 T350 L354 | T322-K352 HydrophobicContact CG2-CD 4.32Å; V349-K352 HydrophobicContact CG1-CB 4.36Å; T350-K352 PolarHBondContact O-N 2.87Å; T350-K352 VanDerWaalsContact O-N 3.16Å; K352-L354 HydrophobicContact CB-CB 3.91Å; K352-L354 PolarHBondContact O-N 2.83Å |
| 353 | S | 93.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 27 Ų | 27 | 34% | 0.336 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41.2 | -171.8 | -62.2 | 0 | 0 | 0 | 0 | 112.9 | G33 V34 V349 T350 | G33-S353 PolarHBondContact N-O 2.86Å; G33-S353 VanDerWaalsContact N-O 3.1Å; V34-S353 PolarHBondContact N-O 2.92Å; V34-S353 VanDerWaalsContact O-CB 3.3Å; V34-S353 WeakPolarHBondContact O-CB 3.22Å; V349-S353 PolarHBondContact O-N 3.01Å; T350-S353 PolarHBondContact O-N 3.02Å; T350-S353 VanDerWaalsContact O-N 3.15Å |
| 354 | L | 95.4 | Very high | 95.6 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 11% | 0.105 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.5 | -166.7 | -176 | 73.9 | 0 | 0 | 0 | 110.8 | C30 F31 D32 V349 K352 E356 | C30-L354 HydrophobicContact CB-CD1 3.52Å; C30-L354 HydrophobicContact CB-CG 4.27Å; F31-L354 CarbonylContact O-C 3.52Å; F31-L354 WeakPolarHBondContact O-CA 3.35Å; D32-L354 HydrophobicContact CB-CD1 4.14Å; V349-L354 HydrophobicContact CB-CB 4.38Å; V349-L354 PolarHBondContact N-O 2.83Å; V349-L354 PolarHBondContact O-N 3.28Å; K352-L354 HydrophobicContact CB-CB 3.91Å; K352-L354 PolarHBondContact O-N 2.83Å; L354-E356 HydrophobicContact CD2-CB 4.3Å |
| 355 | I | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.3 | 163.1 | -51.2 | 174.1 | 0 | 0 | 0 | 107.7 | C30 F31 V34 V53 I55 Y346 K347 P357 | C30-I355 WeakPolarHBondContact CA-O 3.34Å; C30-I355 WeakPolarHBondContact CB-O 3.32Å; F31-I355 HydrophobicContact CB-CB 4.09Å; F31-I355 HydrophobicContact CB-CD1 4.43Å; F31-I355 HydrophobicContact CB-CG1 4.47Å; F31-I355 HydrophobicContact CD2-CB 4.22Å; F31-I355 HydrophobicContact CD2-CG2 4.46Å; F31-I355 PolarHBondContact N-O 2.79Å; F31-I355 PolarHBondContact O-N 2.89Å; V34-I355 HydrophobicContact CG1-CD1 4.28Å; V34-I355 HydrophobicContact CG2-CD1 4.13Å; V34-I355 HydrophobicContact CG2-CG1 4.3Å; V53-I355 HydrophobicContact CG1-CD1 4.16Å; I55-I355 HydrophobicContact CB-CD1 3.96Å; I55-I355 HydrophobicContact CD1-CD1 4.26Å; I55-I355 HydrophobicContact CG1-CD1 4.01Å; I55-I355 HydrophobicContact CG2-CD1 4.05Å; Y346-I355 HydrophobicContact CD1-CG2 4.02Å; Y346-I355 HydrophobicContact CG-CG2 4.48Å; K347-I355 WeakPolarHBondContact O-CA 3.47Å; I355-P357 WeakPolarHBondContact O-CD 3.29Å |
| 356 | E | 97 | Very high | 93.9 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 110 | -175.2 | 177.5 | 178.8 | -122.4 | 0 | 0 | 109.5 | A24 K347 L354 V358 | A24-E356 HydrophobicContact CB-CG 4.47Å; K347-E356 HydrophobicContact CB-CB 4.42Å; K347-E356 VanDerWaalsContact CB-O 3.31Å; K347-E356 WeakPolarHBondContact CB-O 3.3Å; K347-E356 PolarHBondContact N-O 3.04Å; K347-E356 IonicContact NZ-OE2 2.96Å; K347-E356 PolarHBondContact O-N 3.37Å; L354-E356 HydrophobicContact CD2-CB 4.3Å; E356-V358 HydrophobicContact CG-CG2 4.42Å |
| 357 | P | 97.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 7% | 0.071 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 137 | 170.7 | -21.2 | 31.9 | 0 | 0 | 0 | 111.5 | A25 N29 F345 Y346 I355 | A25-P357 HydrophobicContact CB-CB 3.95Å; A25-P357 HydrophobicContact CB-CG 4.13Å; A25-P357 WeakPolarHBondContact CB-O 3.41Å; A25-P357 PolarHBondContact N-O 3.15Å; N29-P357 WeakPolarHBondContact O-CG 3.4Å; F345-P357 CarbonylContact O-C 3.51Å; F345-P357 VanDerWaalsContact O-CA 3.23Å; F345-P357 WeakPolarHBondContact O-CA 3.42Å; Y346-P357 HydrophobicContact CD1-CG 4.07Å; Y346-P357 HydrophobicContact CE1-CB 4.36Å; Y346-P357 HydrophobicContact CE1-CG 3.87Å; I355-P357 WeakPolarHBondContact O-CD 3.29Å |
| 358 | V | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 111 | 175.8 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | F318 R344 F345 K347 E356 M360 | F318-V358 HydrophobicContact CD1-CG1 4.08Å; F318-V358 HydrophobicContact CD2-CG1 4.23Å; F318-V358 HydrophobicContact CE1-CG1 3.87Å; F318-V358 HydrophobicContact CE1-CG2 4.05Å; F318-V358 HydrophobicContact CE2-CG1 4.02Å; F318-V358 HydrophobicContact CG-CG1 4.25Å; F318-V358 HydrophobicContact CZ-CG1 3.84Å; F318-V358 HydrophobicContact CZ-CG2 4.13Å; R344-V358 WeakPolarHBondContact CA-O 3.19Å; F345-V358 HydrophobicContact CB-CB 4.32Å; F345-V358 PolarHBondContact N-O 2.75Å; F345-V358 PolarHBondContact O-N 3.24Å; K347-V358 HydrophobicContact CB-CG2 4.36Å; E356-V358 HydrophobicContact CG-CG2 4.42Å; V358-M360 HydrophobicContact CG1-CE 4.17Å |
| 359 | S | 97.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.1 | -179.2 | -64.4 | 0 | 0 | 0 | 0 | 110.8 | G22 K23 E341 | G22-S359 CarbonylContact C-O 3.52Å; G22-S359 WeakPolarHBondContact CA-O 3.49Å; K23-S359 PolarHBondContact N-O 3.16Å; K23-S359 PolarHBondContact O-N 3.21Å; E341-S359 WeakPolarHBondContact OE1-CB 3.19Å; E341-S359 PolarHBondContact OE1-OG 2.84Å |
| 360 | M | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 113.6 | 172.1 | -59.7 | -63.5 | 176.9 | 0 | 0 | 108.6 | V20 G22 Y291 I300 Y302 F318 E341 V342 F343 F345 V358 | V20-M360 HydrophobicContact CG1-CB 4.05Å; G22-M360 VanDerWaalsContact CA-SD 3.57Å; Y291-M360 HydrophobicContact CD1-CE 4.44Å; Y291-M360 HydrophobicContact CD1-CG 4.45Å; Y291-M360 HydrophobicContact CE1-CB 4.31Å; Y291-M360 HydrophobicContact CE1-CG 3.73Å; Y291-M360 HydrophobicContact CE1-SD 4.26Å; I300-M360 HydrophobicContact CB-CE 4.32Å; I300-M360 HydrophobicContact CD1-CE 4.17Å; I300-M360 HydrophobicContact CG2-CE 4.12Å; Y302-M360 HydrophobicContact CE1-CE 4.48Å; Y302-M360 HydrophobicContact CE1-SD 4.27Å; F318-M360 HydrophobicContact CB-CE 4.14Å; E341-M360 WeakPolarHBondContact CA-O 3.31Å; V342-M360 HydrophobicContact CG2-CB 4.38Å; V342-M360 WeakPolarHBondContact CG2-O 3.46Å; V342-M360 PolarHBondContact N-O 2.96Å; F343-M360 HydrophobicContact CB-CB 3.94Å; F343-M360 HydrophobicContact CB-CG 4.15Å; F343-M360 WeakPolarHBondContact O-CB 3.49Å; F343-M360 PolarHBondContact O-N 2.87Å; F345-M360 HydrophobicContact CD2-CE 3.64Å; F345-M360 HydrophobicContact CD2-CG 4.22Å; F345-M360 HydrophobicContact CE2-CE 3.55Å; F345-M360 HydrophobicContact CE2-CG 3.98Å; V358-M360 HydrophobicContact CG1-CE 4.17Å |
| 361 | I | 97.1 | Very high | 92 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.092 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.5 | -169.1 | -63.6 | 168.5 | 0 | 0 | 0 | 109.8 | V20 F21 K23 S339 E341 P363 | V20-I361 WeakPolarHBondContact CA-O 3.3Å; F21-I361 HydrophobicContact CE1-CB 4.08Å; F21-I361 HydrophobicContact CE1-CG2 3.98Å; F21-I361 HydrophobicContact CE2-CB 4.44Å; F21-I361 HydrophobicContact CE2-CD1 4.46Å; F21-I361 HydrophobicContact CZ-CB 3.99Å; F21-I361 HydrophobicContact CZ-CD1 4.41Å; F21-I361 HydrophobicContact CZ-CG2 3.98Å; F21-I361 PolarHBondContact N-O 3.05Å; F21-I361 VanDerWaalsContact N-O 3.12Å; F21-I361 PolarHBondContact O-N 2.72Å; K23-I361 HydrophobicContact CB-CD1 3.97Å; K23-I361 HydrophobicContact CD-CD1 3.92Å; S339-I361 VanDerWaalsContact O-CG2 3.28Å; S339-I361 WeakPolarHBondContact O-CG2 3.43Å; E341-I361 HydrophobicContact CB-CG1 4.5Å; I361-P363 WeakPolarHBondContact O-CD 3.49Å |
| 362 | V | 96.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | trans | -86 | 116.1 | 167.8 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | F17 V20 C340 V342 R364 I373 | F17-V362 HydrophobicContact CD1-CG2 3.81Å; F17-V362 HydrophobicContact CE1-CG2 4.09Å; V20-V362 HydrophobicContact CG2-CB 4.47Å; V20-V362 HydrophobicContact CG2-CG2 3.62Å; C340-V362 WeakPolarHBondContact CB-O 3.39Å; C340-V362 PolarHBondContact O-N 2.89Å; V342-V362 HydrophobicContact CB-CG2 4.43Å; V342-V362 HydrophobicContact CG1-CG2 3.51Å; V342-V362 HydrophobicContact CG2-CG2 4.03Å; V362-R364 HydrophobicContact CG1-CG 4.29Å; V362-R364 PolarHBondContact O-N 3.11Å; V362-R364 VanDerWaalsContact O-N 3.1Å; V362-I373 HydrophobicContact CB-CD1 4.27Å; V362-I373 HydrophobicContact CG2-CD1 4.47Å | ||
| 363 | P | 94.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | trans | -67.6 | 113.9 | -179.7 | 26 | -32.3 | 0 | 0 | 0 | 110.6 | H19 F21 I361 | H19-P363 HydrophobicContact CB-CG 3.78Å; H19-P363 WeakPolarHBondContact O-CD 3.49Å; H19-P363 VanDerWaalsContact O-CG 3.31Å; H19-P363 WeakPolarHBondContact O-CG 3.48Å; F21-P363 HydrophobicContact CD1-CG 4.48Å; F21-P363 HydrophobicContact CE1-CB 4.12Å; F21-P363 HydrophobicContact CE1-CG 4.48Å; I361-P363 WeakPolarHBondContact O-CD 3.49Å | ||
| 364 | R | 91.8 | Very high | 92.3 | Very high | 86 Ų | 86 | 52.2 Ų | 52.2 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | trans | -124.9 | 150.8 | 173 | -66.9 | -68.9 | -178.5 | 111.3 | -4.3 | 109.7 | V362 Q370 D372 | V362-R364 HydrophobicContact CG1-CG 4.29Å; V362-R364 PolarHBondContact O-N 3.11Å; V362-R364 VanDerWaalsContact O-N 3.1Å; R364-Q370 HydrophobicContact CG-CG 4.24Å; R364-D372 IonicContact CZ-OD1 3.97Å; R364-D372 IonicContact CZ-OD2 3.42Å; R364-D372 IonicContact NH1-OD1 3.4Å; R364-D372 PolarHBondContact NH1-OD1 3.37Å; R364-D372 IonicContact NH1-OD2 2.6Å; R364-D372 IonicContact NH2-OD1 3.79Å; R364-D372 PolarHBondContact NH2-OD1 3.06Å; R364-D372 IonicContact NH2-OD2 3.91Å; R364-D372 PolarHBondContact NH2-OD2 3.25Å | ||
| 365 | R | 83.1 | Confident | 92.3 | Very high | 263 Ų | 263 | 53.9 Ų | 53.9 | 99% | 0.992 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -87.9 | -10.5 | -178.6 | -67.1 | -176.1 | 179.7 | 179.7 | -0.5 | 113.5 | ||
| 366 | S | 79.3 | Confident | 92.2 | Very high | 50 Ų | 50 | 58.5 Ų | 58.5 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | trans | -111.3 | 138.6 | -174.3 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | S368 Q370 | S366-S368 PolarHBondContact O-N 3.44Å; S366-Q370 PolarHBondContact OG-NE2 2.87Å | ||
| 367 | E | 77.1 | Confident | 92.1 | Very high | 192 Ų | 192 | 57.5 Ų | 57.5 | 90% | 0.897 | 28% | 0.284 | S | S | * | . | trans | -82.6 | -0.5 | 174.6 | -60 | -178 | 171 | 0 | 0 | 112.9 | ||||
| 368 | S | 87.1 | Confident | 91.9 | Very high | 76 Ų | 76 | 59.1 Ų | 59.1 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -74.5 | 154.2 | 176.3 | 58.1 | 0 | 0 | 0 | 0 | 112 | S366 Q370 | S366-S368 PolarHBondContact O-N 3.44Å; S368-Q370 PolarHBondContact O-N 3.01Å; S368-Q370 PolarHBondContact O-NE2 2.86Å; S368-Q370 PolarHBondContact OG-NE2 3.3Å |
| 369 | Y | 89.9 | Confident | 91.8 | Very high | 44 Ų | 44 | 59.5 Ų | 59.5 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | trans | -56.4 | 127.7 | 173.2 | -178.3 | -113.7 | 0 | 0 | 0 | 111.3 | V337 E371 Y374 K403 | V337-Y369 HydrophobicContact CG1-CD2 3.28Å; V337-Y369 HydrophobicContact CG1-CE2 3.29Å; Y369-E371 HydrophobicContact CD1-CG 3.52Å; Y369-E371 HydrophobicContact CE1-CB 4.39Å; Y369-E371 HydrophobicContact CE1-CG 3.56Å; Y369-Y374 HydrophobicContact CD2-CD2 4.32Å; Y369-Y374 AromaticContact CE2-CD2 3.75Å; Y369-Y374 HydrophobicContact CE2-CD2 3.75Å; Y369-Y374 HydrophobicContact CE2-CG 4.17Å; Y369-Y374 VanDerWaalsContact OH-CB 3.3Å; Y369-Y374 WeakPolarHBondContact OH-CB 3.46Å; Y369-Y374 PolarHBondContact OH-O 3.21Å; Y369-K403 HydrophobicContact CD1-CB 4Å; Y369-K403 HydrophobicContact CD1-CD 3.9Å; Y369-K403 HydrophobicContact CD1-CG 3.68Å; Y369-K403 HydrophobicContact CE1-CB 3.58Å; Y369-K403 HydrophobicContact CE1-CD 4.03Å; Y369-K403 HydrophobicContact CE1-CG 3.8Å; Y369-K403 HydrophobicContact CE2-CB 4.32Å; Y369-K403 HydrophobicContact CG-CG 4.11Å; Y369-K403 PolarHBondContact OH-N 2.54Å | ||
| 370 | Q | 91.8 | Very high | 91.6 | Very high | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | trans | -98.7 | 87.6 | -176.7 | -58.5 | -62.4 | -65.2 | 0 | 0 | 110.5 | R364 S366 S368 D372 I373 Y374 | R364-Q370 HydrophobicContact CG-CG 4.24Å; S366-Q370 PolarHBondContact OG-NE2 2.87Å; S368-Q370 PolarHBondContact O-N 3.01Å; S368-Q370 PolarHBondContact O-NE2 2.86Å; S368-Q370 PolarHBondContact OG-NE2 3.3Å; Q370-D372 PolarHBondContact O-N 3.38Å; Q370-D372 VanDerWaalsContact O-N 3.08Å; Q370-I373 HydrophobicContact CB-CD1 3.74Å; Q370-I373 HydrophobicContact CB-CG1 3.62Å; Q370-I373 HydrophobicContact CG-CD1 4.22Å; Q370-I373 WeakPolarHBondContact O-CG1 3.38Å; Q370-I373 PolarHBondContact O-N 3.22Å; Q370-Y374 HydrophobicContact CB-CD2 4.43Å; Q370-Y374 VanDerWaalsContact O-CD2 3.25Å; Q370-Y374 WeakPolarHBondContact O-CD2 3.37Å; Q370-Y374 PolarHBondContact O-N 3.14Å | ||
| 371 | E | 90.4 | Very high | 91.6 | Very high | 123 Ų | 123 | 66.3 Ų | 66.3 | 58% | 0.575 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.7 | -178.3 | -64 | -174.4 | 171.9 | 0 | 0 | 112.9 | Y369 I373 Y374 K403 | Y369-E371 HydrophobicContact CD1-CG 3.52Å; Y369-E371 HydrophobicContact CE1-CB 4.39Å; Y369-E371 HydrophobicContact CE1-CG 3.56Å; E371-I373 PolarHBondContact O-N 3.15Å; E371-Y374 CarbonylContact O-C 3.48Å; E371-K403 IonicContact OE1-NZ 3.93Å; E371-K403 PolarHBondContact OE1-NZ 3.02Å |
| 372 | D | 91.2 | Very high | 91.6 | Very high | 66 Ų | 66 | 67.6 Ų | 67.6 | 35% | 0.353 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -13.4 | -173.9 | 84.5 | -70 | 0 | 0 | 0 | 115.1 | K16 R364 Q370 | K16-D372 WeakPolarHBondContact CD-OD2 3.32Å; K16-D372 PolarHBondContact NZ-O 3.27Å; K16-D372 IonicContact NZ-OD2 2.74Å; K16-D372 PolarHBondContact NZ-OD2 3.43Å; R364-D372 IonicContact CZ-OD1 3.97Å; R364-D372 IonicContact CZ-OD2 3.42Å; R364-D372 IonicContact NH1-OD1 3.4Å; R364-D372 PolarHBondContact NH1-OD1 3.37Å; R364-D372 IonicContact NH1-OD2 2.6Å; R364-D372 IonicContact NH2-OD1 3.79Å; R364-D372 PolarHBondContact NH2-OD1 3.06Å; R364-D372 IonicContact NH2-OD2 3.91Å; R364-D372 PolarHBondContact NH2-OD2 3.25Å; Q370-D372 PolarHBondContact O-N 3.38Å; Q370-D372 VanDerWaalsContact O-N 3.08Å |
| 373 | I | 93.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -7.4 | 173.8 | 65.9 | 176.5 | 0 | 0 | 0 | 112.5 | F17 C340 V342 V362 Q370 E371 P375 | F17-I373 HydrophobicContact CE1-CB 4.4Å; F17-I373 HydrophobicContact CE1-CG2 4.17Å; C340-I373 HydrophobicContact CB-CD1 4.08Å; V342-I373 HydrophobicContact CG1-CB 4.49Å; V342-I373 HydrophobicContact CG1-CD1 4.28Å; V362-I373 HydrophobicContact CB-CD1 4.27Å; V362-I373 HydrophobicContact CG2-CD1 4.47Å; Q370-I373 HydrophobicContact CB-CD1 3.74Å; Q370-I373 HydrophobicContact CB-CG1 3.62Å; Q370-I373 HydrophobicContact CG-CD1 4.22Å; Q370-I373 WeakPolarHBondContact O-CG1 3.38Å; Q370-I373 PolarHBondContact O-N 3.22Å; E371-I373 PolarHBondContact O-N 3.15Å; I373-P375 WeakPolarHBondContact O-CD 3.48Å |
| 374 | Y | 94.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 65.2 Ų | 65.2 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | trans | -123.8 | 73.4 | 178.3 | -62 | -60.8 | 0 | 0 | 0 | 109.9 | V337 C340 E341 V342 Y369 Q370 E371 L402 | V337-Y374 HydrophobicContact CB-CE2 4.39Å; V337-Y374 HydrophobicContact CG1-CD2 3.95Å; V337-Y374 HydrophobicContact CG1-CE2 3.71Å; V337-Y374 HydrophobicContact CG2-CE1 4.48Å; C340-Y374 WeakPolarHBondContact CA-OH 3.38Å; E341-Y374 VanDerWaalsContact C-OH 3.29Å; E341-Y374 PolarHBondContact N-OH 2.72Å; E341-Y374 VanDerWaalsContact N-OH 3.08Å; E341-Y374 WeakPolarHBondContact O-CE1 3.5Å; E341-Y374 PolarHBondContact O-OH 3.27Å; V342-Y374 HydrophobicContact CG1-CE1 4.42Å; Y369-Y374 HydrophobicContact CD2-CD2 4.32Å; Y369-Y374 AromaticContact CE2-CD2 3.75Å; Y369-Y374 HydrophobicContact CE2-CD2 3.75Å; Y369-Y374 HydrophobicContact CE2-CG 4.17Å; Y369-Y374 VanDerWaalsContact OH-CB 3.3Å; Y369-Y374 WeakPolarHBondContact OH-CB 3.46Å; Y369-Y374 PolarHBondContact OH-O 3.21Å; Q370-Y374 HydrophobicContact CB-CD2 4.43Å; Q370-Y374 VanDerWaalsContact O-CD2 3.25Å; Q370-Y374 WeakPolarHBondContact O-CD2 3.37Å; Q370-Y374 PolarHBondContact O-N 3.14Å; E371-Y374 CarbonylContact O-C 3.48Å; Y374-L402 HydrophobicContact CD1-CD1 3.88Å | ||
| 375 | P | 94.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 64.4 Ų | 64.4 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | trans | -64.5 | 175.1 | 169.4 | 32.2 | -35.7 | 0 | 0 | 0 | 110.7 | D286 I373 T377 | D286-P375 HydrophobicContact CB-CG 3.76Å; D286-P375 WeakPolarHBondContact O-CG 3.21Å; I373-P375 WeakPolarHBondContact O-CD 3.48Å; P375-T377 PolarHBondContact O-N 3.2Å | ||
| 376 | M | 95.2 | Very high | 92.8 | Very high | 98 Ų | 98 | 51.9 Ų | 51.9 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 120.3 | 174.1 | -64.9 | -67.1 | -72.5 | 0 | 0 | 109.9 | L399 M400 | M376-L399 HydrophobicContact CB-CB 3.96Å; M376-L399 HydrophobicContact CB-CD1 4.15Å; M376-L399 HydrophobicContact CE-CB 4.32Å; M376-M400 WeakPolarHBondContact CA-O 3.49Å; M376-M400 VanDerWaalsContact CE-C 3.48Å |
| 377 | T | 95 | Very high | 93.7 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 159.8 | -176.7 | 175.4 | 0 | 0 | 0 | 0 | 111 | D286 K332 P375 S379 L399 M400 L402 | D286-T377 VanDerWaalsContact OD2-CB 3.27Å; D286-T377 WeakPolarHBondContact OD2-CB 3.25Å; D286-T377 PolarHBondContact OD2-OG1 3.28Å; K332-T377 HydrophobicContact CB-CG2 4.15Å; K332-T377 WeakPolarHBondContact CB-OG1 3.45Å; K332-T377 WeakPolarHBondContact CG-OG1 3.37Å; P375-T377 PolarHBondContact O-N 3.2Å; T377-S379 PolarHBondContact O-N 2.86Å; T377-L399 CarbonylContact O-C 3.52Å; T377-L399 VanDerWaalsContact O-CA 3.24Å; T377-L399 WeakPolarHBondContact O-CA 3.37Å; T377-M400 HydrophobicContact CG2-CG 3.95Å; T377-M400 PolarHBondContact N-O 2.6Å; T377-M400 PolarHBondContact O-N 2.74Å; T377-L402 HydrophobicContact CG2-CD1 4.11Å; T377-L402 HydrophobicContact CG2-CD2 3.73Å; T377-L402 HydrophobicContact CG2-CG 3.69Å |
| 378 | A | 94.9 | Very high | 94.6 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 130.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P397 | A378-P397 HydrophobicContact CB-CB 3.85Å; A378-P397 HydrophobicContact CB-CG 4.2Å |
| 379 | S | 94.7 | Very high | 95.2 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | trans | -85.1 | 177.2 | 178.3 | 74 | 0 | 0 | 0 | 0 | 112.4 | T377 R381 I398 | T377-S379 PolarHBondContact O-N 2.86Å; S379-R381 PolarHBondContact OG-N 3.27Å; S379-R381 VanDerWaalsContact OG-N 3.16Å; S379-I398 WeakPolarHBondContact CB-O 3.36Å; S379-I398 PolarHBondContact N-O 3.17Å; S379-I398 PolarHBondContact OG-O 3.21Å | ||
| 380 | N | 94.8 | Very high | 95.5 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -85.4 | 12.9 | 169.6 | 68.5 | -28.4 | 0 | 0 | 0 | 113.3 | F98 | F98-N380 CarbonylContact C-O 3.51Å; F98-N380 WeakPolarHBondContact CA-O 3.22Å; F98-N380 WeakPolarHBondContact CB-O 3.39Å |
| 381 | R | 96.8 | Very high | 95.8 | Very high | 113 Ų | 113 | 50.4 Ų | 50.4 | 43% | 0.426 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -102 | 130.7 | 176.8 | -64 | -175.5 | 79.3 | 166.5 | 5.6 | 109.7 | S379 I398 L408 | S379-R381 PolarHBondContact OG-N 3.27Å; S379-R381 VanDerWaalsContact OG-N 3.16Å; R381-I398 HydrophobicContact CB-CD1 4.06Å; R381-L408 HydrophobicContact CG-CD1 4.29Å |
| 382 | P | 97.4 | Very high | 96 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 29% | 0.286 | 27% | 0.269 | S | S | . | . | trans | -67.7 | 141.7 | 174.8 | 30.1 | -32.7 | 0 | 0 | 0 | 109.5 | F98 T148 N150 I398 | F98-P382 HydrophobicContact CD1-CB 4.01Å; F98-P382 HydrophobicContact CD2-CB 3.92Å; F98-P382 HydrophobicContact CE1-CB 4.1Å; F98-P382 HydrophobicContact CE2-CB 4.01Å; F98-P382 HydrophobicContact CG-CB 3.9Å; F98-P382 HydrophobicContact CG-CG 4.34Å; F98-P382 HydrophobicContact CZ-CB 4.09Å; T148-P382 CarbonylContact O-C 3.57Å; T148-P382 WeakPolarHBondContact O-CA 3.31Å; T148-P382 WeakPolarHBondContact O-CB 3.33Å; N150-P382 HydrophobicContact CB-CB 3.67Å; N150-P382 HydrophobicContact CB-CG 3.81Å; P382-I398 VanDerWaalsContact O-CD1 3.29Å; P382-I398 WeakPolarHBondContact O-CD1 3.21Å | ||
| 383 | A | 97.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -79.5 | -27 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T148 K395 G396 I398 | T148-A383 PolarHBondContact O-N 2.87Å; A383-K395 HydrophobicContact CB-CB 4.31Å; A383-K395 HydrophobicContact CB-CD 4.12Å; A383-K395 HydrophobicContact CB-CG 4.14Å; A383-G396 WeakPolarHBondContact CB-O 3.4Å; A383-I398 HydrophobicContact CB-CG1 4.11Å |
| 384 | L | 97.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -135.5 | 150.6 | -176.2 | -62 | 170.5 | 0 | 0 | 0 | 110.4 | T148 A149 N150 E388 W389 V393 K395 | T148-L384 PolarHBondContact O-N 3.48Å; A149-L384 WeakPolarHBondContact CA-O 3.37Å; A149-L384 HydrophobicContact CB-CB 4.18Å; N150-L384 PolarHBondContact N-O 3.04Å; L384-E388 HydrophobicContact CB-CB 4.46Å; L384-E388 HydrophobicContact CD2-CB 4.22Å; L384-W389 HydrophobicContact CB-CB 4.45Å; L384-W389 HydrophobicContact CD1-CB 4.15Å; L384-V393 HydrophobicContact CD1-CG1 4.49Å; L384-V393 VanDerWaalsContact CD1-O 3.26Å; L384-V393 WeakPolarHBondContact CD1-O 3.49Å; L384-V393 HydrophobicContact CD2-CB 4.29Å; L384-V393 HydrophobicContact CD2-CG1 3.71Å; L384-K395 HydrophobicContact CD1-CB 3.97Å; L384-K395 HydrophobicContact CD2-CB 3.89Å; L384-K395 HydrophobicContact CD2-CD 4.2Å; L384-K395 HydrophobicContact CG-CB 3.88Å |
| 385 | T | 98.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | trans | -74.3 | 165.9 | 160.8 | 61.6 | 0 | 0 | 0 | 0 | 110.7 | D387 E388 W389 | T385-D387 VanDerWaalsContact C-N 3.32Å; T385-D387 PolarHBondContact O-N 2.97Å; T385-E388 PolarHBondContact N-OE2 2.79Å; T385-E388 WeakPolarHBondContact OG1-CB 3.21Å; T385-E388 VanDerWaalsContact OG1-CD 3.23Å; T385-E388 WeakPolarHBondContact OG1-CG 3.31Å; T385-E388 PolarHBondContact OG1-N 3.31Å; T385-E388 PolarHBondContact OG1-OE2 3.09Å; T385-W389 PolarHBondContact O-N 2.83Å | ||
| 386 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I152 N166 D168 W389 L390 | I152-A386 HydrophobicContact CD1-CB 3.66Å; I152-A386 HydrophobicContact CG1-CB 4.06Å; N166-A386 WeakPolarHBondContact OD1-CB 3.5Å; D168-A386 VanDerWaalsContact OD2-CB 3.27Å; D168-A386 WeakPolarHBondContact OD2-CB 3.4Å; A386-W389 PolarHBondContact O-N 2.9Å; A386-L390 WeakPolarHBondContact O-CB 3.47Å; A386-L390 WeakPolarHBondContact O-CG 3.19Å; A386-L390 PolarHBondContact O-N 3.08Å |
| 387 | D | 97 | Very high | 96.5 | Very high | 108 Ų | 108 | 50.5 Ų | 50.5 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.6 | -41.1 | -177 | -66.7 | -21.3 | 0 | 0 | 0 | 112.6 | T385 W389 L390 S391 | T385-D387 VanDerWaalsContact C-N 3.32Å; T385-D387 PolarHBondContact O-N 2.97Å; D387-W389 PolarHBondContact O-N 3.38Å; D387-L390 PolarHBondContact O-N 3.3Å; D387-S391 WeakPolarHBondContact O-CB 3.38Å; D387-S391 PolarHBondContact O-N 3.08Å; D387-S391 PolarHBondContact O-OG 3.25Å |
| 388 | E | 97.6 | Very high | 96.6 | Very high | 90 Ų | 90 | 53.2 Ų | 53.2 | 42% | 0.421 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.5 | -75.3 | 166.5 | 152.7 | 0 | 0 | 111.3 | L384 T385 S391 V393 | L384-E388 HydrophobicContact CB-CB 4.46Å; L384-E388 HydrophobicContact CD2-CB 4.22Å; T385-E388 PolarHBondContact N-OE2 2.79Å; T385-E388 WeakPolarHBondContact OG1-CB 3.21Å; T385-E388 VanDerWaalsContact OG1-CD 3.23Å; T385-E388 WeakPolarHBondContact OG1-CG 3.31Å; T385-E388 PolarHBondContact OG1-N 3.31Å; T385-E388 PolarHBondContact OG1-OE2 3.09Å; E388-S391 PolarHBondContact O-N 3.2Å; E388-S391 PolarHBondContact O-OG 3.23Å; E388-V393 WeakPolarHBondContact O-CB 3.46Å; E388-V393 PolarHBondContact O-N 2.87Å |
| 389 | W | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.6 | -47 | 177.4 | 178.4 | 75.4 | 0 | 0 | 0 | 111.5 | H146 A149 I152 F154 I164 A214 R215 L384 T385 A386 D387 S391 G392 | H146-W389 AromaticContact CD2-CE2 3.74Å; H146-W389 AromaticContact CD2-CZ2 3.6Å; H146-W389 AromaticContact CE1-CD1 3.75Å; H146-W389 AromaticContact CE1-CE2 3.88Å; H146-W389 AromaticContact CE1-NE1 3.49Å; H146-W389 PolarHBondContact CE1-NE1 3.26Å; H146-W389 AromaticContact NE2-CD1 3.79Å; H146-W389 AromaticContact NE2-CE2 3.24Å; H146-W389 AromaticContact NE2-CZ2 3.5Å; H146-W389 AromaticContact NE2-NE1 3.05Å; H146-W389 PolarHBondContact NE2-NE1 2.69Å; A149-W389 HydrophobicContact CB-CB 3.57Å; A149-W389 HydrophobicContact CB-CD2 4.31Å; A149-W389 HydrophobicContact CB-CG 3.78Å; I152-W389 HydrophobicContact CD1-CE3 4.07Å; I152-W389 HydrophobicContact CD1-CZ3 4.18Å; I152-W389 HydrophobicContact CG1-CE3 3.84Å; I152-W389 HydrophobicContact CG1-CZ3 4.13Å; I152-W389 HydrophobicContact CG2-CE3 4.17Å; I152-W389 HydrophobicContact CG2-CH2 4Å; I152-W389 HydrophobicContact CG2-CZ3 3.66Å; F154-W389 AromaticContact CE2-CH2 3.83Å; F154-W389 HydrophobicContact CE2-CH2 3.83Å; F154-W389 HydrophobicContact CE2-CZ2 4.4Å; F154-W389 AromaticContact CZ-CH2 3.79Å; F154-W389 HydrophobicContact CZ-CH2 3.79Å; F154-W389 HydrophobicContact CZ-CZ2 4.28Å; I164-W389 HydrophobicContact CD1-CH2 4.46Å; I164-W389 HydrophobicContact CG2-CH2 4.2Å; I164-W389 HydrophobicContact CG2-CZ3 4.09Å; A214-W389 HydrophobicContact CB-CZ2 4.12Å; R215-W389 HydrophobicContact CB-CH2 4.2Å; R215-W389 HydrophobicContact CB-CZ2 4.18Å; R215-W389 WeakPolarHBondContact CD-O 3.03Å; R215-W389 HydrophobicContact CG-CD2 3.68Å; R215-W389 HydrophobicContact CG-CE3 3.96Å; R215-W389 HydrophobicContact CG-CG 4.46Å; R215-W389 HydrophobicContact CG-CH2 3.44Å; R215-W389 VanDerWaalsContact CG-CH2 3.44Å; R215-W389 HydrophobicContact CG-CZ2 3.11Å; R215-W389 HydrophobicContact CG-CZ3 3.84Å; R215-W389 PolarHBondContact NH1-O 3.46Å; L384-W389 HydrophobicContact CB-CB 4.45Å; L384-W389 HydrophobicContact CD1-CB 4.15Å; T385-W389 PolarHBondContact O-N 2.83Å; A386-W389 PolarHBondContact O-N 2.9Å; D387-W389 PolarHBondContact O-N 3.38Å; W389-S391 PolarHBondContact O-N 3.31Å; W389-G392 PolarHBondContact O-N 2.82Å |
| 390 | L | 97.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.7 | -28.1 | 177.1 | -72.1 | 173.1 | 0 | 0 | 0 | 112.9 | I152 N166 V178 A386 D387 G392 | I152-L390 HydrophobicContact CD1-CD1 4.34Å; I152-L390 HydrophobicContact CD1-CG 4.37Å; N166-L390 HydrophobicContact CB-CD1 4.35Å; V178-L390 HydrophobicContact CG1-CD1 4.16Å; V178-L390 HydrophobicContact CG1-CD2 3.72Å; V178-L390 HydrophobicContact CG2-CD1 4.47Å; A386-L390 WeakPolarHBondContact O-CB 3.47Å; A386-L390 WeakPolarHBondContact O-CG 3.19Å; A386-L390 PolarHBondContact O-N 3.08Å; D387-L390 PolarHBondContact O-N 3.3Å; L390-G392 PolarHBondContact O-N 3.38Å |
| 391 | S | 96.9 | Very high | 96.7 | Very high | 92 Ų | 92 | 55.5 Ų | 55.5 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -8.9 | 175.6 | 77.6 | 0 | 0 | 0 | 0 | 114.4 | D387 E388 W389 | D387-S391 WeakPolarHBondContact O-CB 3.38Å; D387-S391 PolarHBondContact O-N 3.08Å; D387-S391 PolarHBondContact O-OG 3.25Å; E388-S391 PolarHBondContact O-N 3.2Å; E388-S391 PolarHBondContact O-OG 3.23Å; W389-S391 PolarHBondContact O-N 3.31Å |
| 392 | G | 95.9 | Very high | 96.6 | Very high | 43 Ų | 43 | 51 Ų | 51 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.8 | 11.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R215 W389 L390 | R215-G392 PolarHBondContact NH1-O 2.81Å; W389-G392 PolarHBondContact O-N 2.82Å; L390-G392 PolarHBondContact O-N 3.38Å |
| 393 | V | 97.3 | Very high | 96.3 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 39% | 0.394 | 31% | 0.307 | S | S | . | . | trans | -85.4 | 130.3 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | R215 L384 E388 | R215-V393 VanDerWaalsContact NH1-C 3.35Å; R215-V393 PolarHBondContact NH1-O 2.96Å; R215-V393 VanDerWaalsContact NH1-O 3.13Å; L384-V393 HydrophobicContact CD1-CG1 4.49Å; L384-V393 VanDerWaalsContact CD1-O 3.26Å; L384-V393 WeakPolarHBondContact CD1-O 3.49Å; L384-V393 HydrophobicContact CD2-CB 4.29Å; L384-V393 HydrophobicContact CD2-CG1 3.71Å; E388-V393 WeakPolarHBondContact O-CB 3.46Å; E388-V393 PolarHBondContact O-N 2.87Å | ||
| 394 | D | 95.8 | Very high | 95.7 | Very high | 69 Ų | 69 | 57.7 Ų | 57.7 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | trans | -112.8 | 133 | 171.9 | -63.8 | -42.3 | 0 | 0 | 0 | 110.2 | R215 | R215-D394 IonicContact CZ-OD1 2.69Å; R215-D394 IonicContact CZ-OD2 3.2Å; R215-D394 IonicContact NH1-OD1 3.28Å; R215-D394 PolarHBondContact NH1-OD1 3.46Å; R215-D394 IonicContact NH1-OD2 2.79Å; R215-D394 VanDerWaalsContact NH2-CG 3.28Å; R215-D394 IonicContact NH2-OD1 3.37Å; R215-D394 PolarHBondContact NH2-OD1 2.73Å; R215-D394 IonicContact NH2-OD2 3.3Å; R215-D394 PolarHBondContact NH2-OD2 3.27Å | ||
| 395 | K | 95.9 | Very high | 94.8 | Very high | 110 Ų | 110 | 61.3 Ų | 61.3 | 48% | 0.478 | 37% | 0.374 | S | S | . | . | trans | -149.9 | 132.6 | 179.5 | -168.3 | 175.7 | 175.4 | -176.4 | 0 | 110 | T148 A383 L384 | T148-K395 WeakPolarHBondContact CB-O 3.45Å; T148-K395 WeakPolarHBondContact CG2-O 3.44Å; T148-K395 PolarHBondContact OG1-O 3.01Å; A383-K395 HydrophobicContact CB-CB 4.31Å; A383-K395 HydrophobicContact CB-CD 4.12Å; A383-K395 HydrophobicContact CB-CG 4.14Å; L384-K395 HydrophobicContact CD1-CB 3.97Å; L384-K395 HydrophobicContact CD2-CB 3.89Å; L384-K395 HydrophobicContact CD2-CD 4.2Å; L384-K395 HydrophobicContact CG-CB 3.88Å | ||
| 396 | G | 95.1 | Very high | 93.8 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 164.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | A383 | A383-G396 WeakPolarHBondContact CB-O 3.4Š|
| 397 | P | 96.1 | Very high | 92 | Very high | 29 Ų | 29 | 69 Ų | 69 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -63 | 145.1 | -178.2 | 26.8 | -34.4 | 0 | 0 | 0 | 111.3 | T148 T195 A378 L399 | T148-P397 HydrophobicContact CG2-CB 4.25Å; T195-P397 HydrophobicContact CG2-CG 4.04Å; A378-P397 HydrophobicContact CB-CB 3.85Å; A378-P397 HydrophobicContact CB-CG 4.2Å; P397-L399 HydrophobicContact CG-CD2 4.17Å; P397-L399 PolarHBondContact O-N 2.91Å |
| 398 | I | 97 | Very high | 90.1 | Very high | 62 Ų | 62 | 67 Ų | 67 | 32% | 0.318 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 121.2 | 170.2 | -63 | 175.5 | 0 | 0 | 0 | 107.5 | S379 R381 P382 A383 | S379-I398 WeakPolarHBondContact CB-O 3.36Å; S379-I398 PolarHBondContact N-O 3.17Å; S379-I398 PolarHBondContact OG-O 3.21Å; R381-I398 HydrophobicContact CB-CD1 4.06Å; P382-I398 VanDerWaalsContact O-CD1 3.29Å; P382-I398 WeakPolarHBondContact O-CD1 3.21Å; A383-I398 HydrophobicContact CB-CG1 4.11Å |
| 399 | L | 96.1 | Very high | 87.6 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 48% | 0.482 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 149.3 | -176.5 | -54.5 | 179.4 | 0 | 0 | 0 | 111.9 | M376 T377 P397 | M376-L399 HydrophobicContact CB-CB 3.96Å; M376-L399 HydrophobicContact CB-CD1 4.15Å; M376-L399 HydrophobicContact CE-CB 4.32Å; T377-L399 CarbonylContact O-C 3.52Å; T377-L399 VanDerWaalsContact O-CA 3.24Å; T377-L399 WeakPolarHBondContact O-CA 3.37Å; P397-L399 HydrophobicContact CG-CD2 4.17Å; P397-L399 PolarHBondContact O-N 2.91Å |
| 400 | M | 94.9 | Very high | 84.7 | Confident | 34 Ų | 34 | 76.5 Ų | 76.5 | 17% | 0.167 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 154.7 | 175.9 | 69.1 | 177.7 | -66.4 | 0 | 0 | 111.8 | R333 M376 T377 L408 | R333-M400 HydrophobicContact CG-SD 3.96Å; M376-M400 WeakPolarHBondContact CA-O 3.49Å; M376-M400 VanDerWaalsContact CE-C 3.48Å; T377-M400 HydrophobicContact CG2-CG 3.95Å; T377-M400 PolarHBondContact N-O 2.6Å; T377-M400 PolarHBondContact O-N 2.74Å; M400-L408 HydrophobicContact CB-CD2 3.34Å; M400-L408 HydrophobicContact CE-CD2 4.27Å; M400-L408 HydrophobicContact CG-CD2 4.41Å; M400-L408 HydrophobicContact SD-CD2 4.37Å |
| 401 | S | 95.5 | Very high | 81.7 | Confident | 32 Ų | 32 | 79 Ų | 79 | 22% | 0.224 | 47% | 0.473 | C | S | . | . | trans | -82.8 | 146 | 170.9 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | K403 S406 | S401-K403 VanDerWaalsContact C-N 3.3Å; S401-K403 WeakPolarHBondContact OG-CB 3.5Å; S401-K403 PolarHBondContact OG-N 2.89Å; S401-S406 PolarHBondContact O-OG 3.42Å | ||
| 402 | L | 93.8 | Very high | 78.4 | Confident | 19 Ų | 19 | 80.4 Ų | 80.4 | 10% | 0.099 | 48% | 0.48 | C | S | . | . | trans | -90.2 | 5.1 | 170.2 | -66 | 176.7 | 0 | 0 | 0 | 112.5 | K332 V337 Y374 T377 | K332-L402 HydrophobicContact CB-CD1 4.2Å; V337-L402 HydrophobicContact CG2-CB 4.07Å; Y374-L402 HydrophobicContact CD1-CD1 3.88Å; T377-L402 HydrophobicContact CG2-CD1 4.11Å; T377-L402 HydrophobicContact CG2-CD2 3.73Å; T377-L402 HydrophobicContact CG2-CG 3.69Å | ||
| 403 | K | 91.7 | Very high | 75.2 | Confident | 93 Ų | 93 | 83.6 Ų | 83.6 | 40% | 0.404 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -63.7 | 127.9 | -179.9 | -168.9 | 167.3 | -172.9 | 163.9 | 0 | 109.9 | Y369 E371 S401 G405 S406 | Y369-K403 HydrophobicContact CD1-CB 4Å; Y369-K403 HydrophobicContact CD1-CD 3.9Å; Y369-K403 HydrophobicContact CD1-CG 3.68Å; Y369-K403 HydrophobicContact CE1-CB 3.58Å; Y369-K403 HydrophobicContact CE1-CD 4.03Å; Y369-K403 HydrophobicContact CE1-CG 3.8Å; Y369-K403 HydrophobicContact CE2-CB 4.32Å; Y369-K403 HydrophobicContact CG-CG 4.11Å; Y369-K403 PolarHBondContact OH-N 2.54Å; E371-K403 IonicContact OE1-NZ 3.93Å; E371-K403 PolarHBondContact OE1-NZ 3.02Å; S401-K403 VanDerWaalsContact C-N 3.3Å; S401-K403 WeakPolarHBondContact OG-CB 3.5Å; S401-K403 PolarHBondContact OG-N 2.89Å; K403-G405 PolarHBondContact O-N 3.48Å; K403-S406 WeakPolarHBondContact O-CB 3.13Å; K403-S406 PolarHBondContact O-N 3.33Å; K403-S406 VanDerWaalsContact O-N 3.07Å; K403-S406 PolarHBondContact O-OG 2.98Å |
| 404 | P | 85.4 | Confident | 72.1 | Confident | 102 Ų | 102 | 89.5 Ų | 89.5 | 66% | 0.662 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 128.9 | 176.7 | -25.9 | 34.2 | 0 | 0 | 0 | 111.1 | ||
| 405 | G | 78.9 | Confident | 68.9 | Low | 85 Ų | 85 | 92 Ų | 92 | 88% | 0.876 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 4.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K403 E407 | K403-G405 PolarHBondContact O-N 3.48Å; G405-E407 PolarHBondContact O-N 3.1Å |
| 406 | S | 76.9 | Confident | 65.6 | Low | 50 Ų | 50 | 97.1 Ų | 97.1 | 35% | 0.35 | 56% | 0.559 | S | S | . | * | trans | -75.9 | 117.2 | 168.5 | 57.6 | 0 | 0 | 0 | 0 | 110.5 | S401 K403 | S401-S406 PolarHBondContact O-OG 3.42Å; K403-S406 WeakPolarHBondContact O-CB 3.13Å; K403-S406 PolarHBondContact O-N 3.33Å; K403-S406 VanDerWaalsContact O-N 3.07Å; K403-S406 PolarHBondContact O-OG 2.98Å | ||
| 407 | E | 58.2 | Low | 62.4 | Low | 179 Ų | 179 | 99.6 Ų | 99.6 | 84% | 0.836 | 58% | 0.576 | S | S | * | * | trans | -80.9 | 150.2 | 166.5 | -68.6 | -172.5 | 171.8 | 0 | 0 | 109.7 | G405 T409 | G405-E407 PolarHBondContact O-N 3.1Å; E407-T409 PolarHBondContact O-N 2.88Å | ||
| 408 | L | 58 | Low | 59 | Low | 65 Ų | 65 | 106.6 Ų | 106.6 | 34% | 0.34 | 61% | 0.61 | S | S | . | * | trans | -65.5 | 105.6 | 173.1 | -67.9 | 170.5 | 0 | 0 | 0 | 108.2 | R381 M400 E410 | R381-L408 HydrophobicContact CG-CD1 4.29Å; M400-L408 HydrophobicContact CB-CD2 3.34Å; M400-L408 HydrophobicContact CE-CD2 4.27Å; M400-L408 HydrophobicContact CG-CD2 4.41Å; M400-L408 HydrophobicContact SD-CD2 4.37Å; L408-E410 PolarHBondContact O-N 3.09Å | ||
| 409 | T | 46 | Very low | 55.7 | Low | 136 Ų | 136 | 107.6 Ų | 107.6 | 83% | 0.834 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 118.8 | 170 | 31.6 | 0 | 0 | 0 | 0 | 108.7 | E407 | E407-T409 PolarHBondContact O-N 2.88Š|
| 410 | E | 36 | Very low | 52.3 | Low | 154 Ų | 154 | 111 Ų | 111 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 135.9 | 168.3 | -63.2 | -165 | 149.4 | 0 | 0 | 108.6 | L408 | L408-E410 PolarHBondContact O-N 3.09Š|
| 411 | P | 33.8 | Very low | 49 | Very low | 112 Ų | 112 | 115.2 Ų | 115.2 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 140.6 | 173 | 24.6 | -31 | 0 | 0 | 0 | 108.8 | S413 | P411-S413 PolarHBondContact O-N 2.97Å; P411-S413 VanDerWaalsContact O-N 3.17Å |
| 412 | P | 28.6 | Very low | 45.7 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61 | 124.8 | 176.8 | 6.6 | -1.2 | 0 | 0 | 0 | 108.6 | E414 | P412-E414 PolarHBondContact O-N 2.84Š|
| 413 | S | 29.1 | Very low | 42.5 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -63.4 | 103.7 | 166 | 44.8 | 0 | 0 | 0 | 0 | 108.3 | P411 T415 | P411-S413 PolarHBondContact O-N 2.97Å; P411-S413 VanDerWaalsContact O-N 3.17Å; S413-T415 PolarHBondContact O-N 2.76Å | ||
| 414 | E | 31.5 | Very low | 39.3 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -68.7 | 85.1 | 164.9 | -77.5 | -172.2 | 164.1 | 0 | 0 | 108.7 | P412 | P412-E414 PolarHBondContact O-N 2.84Š| ||
| 415 | T | 28.4 | Very low | 36.4 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -154.8 | 76.3 | 158.5 | -9.5 | 0 | 0 | 0 | 0 | 109.4 | S413 | S413-T415 PolarHBondContact O-N 2.76Š| ||
| 416 | K | 27 | Very low | 33.8 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -128 | 75.4 | 156.4 | -80.7 | -168.8 | 178.8 | 178.8 | 0 | 109.8 | ||||
| 417 | A | 26.8 | Very low | 31.3 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -148.6 | 89.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||
| 418 | L | 26.1 | Very low | 29.6 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | 152.6 | 88.3 | 150.5 | -85.7 | 147.3 | 0 | 0 | 0 | 108.4 | ||||
| 419 | A | 26.2 | Very low | 28 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | trans | -64.2 | 147.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 420 | N | 26.3 | Very low | 27.1 | Very low | 163 Ų | 163 | 152 Ų | 152 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | 100.9 | 82.8 | 170.1 | -55.5 | -13.5 | 0 | 0 | 0 | 116 | ||||
| 421 | S | 25.3 | Very low | 26.6 | Very low | 123 Ų | 123 | 151.2 Ų | 151.2 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | -165.5 | 137.2 | 126 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 422 | M | 26.2 | Very low | 26.1 | Very low | 178 Ų | 178 | 149 Ų | 149 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -54.7 | 152.7 | -178.9 | -77.6 | 167.9 | 174 | 0 | 0 | 114.1 | ||||
| 423 | D | 25.1 | Very low | 26.1 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -44 | 141.8 | 178.1 | -62.2 | -64.6 | 0 | 0 | 0 | 115.9 | ||||
| 424 | T | 25 | Very low | 26 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -162.3 | 90.8 | 137.4 | 19.3 | 0 | 0 | 0 | 0 | 109.6 | R426 | T424-R426 PolarHBondContact O-N 2.9Š| ||
| 425 | C | 25.9 | Very low | 25.6 | Very low | 136 Ų | 136 | 151.7 Ų | 151.7 | 92% | 0.919 | 83% | 0.832 | S | S | * | * | trans | -69.2 | 112.4 | 164.7 | -115.9 | 0 | 0 | 0 | 0 | 109 | S427 | C425-S427 PolarHBondContact O-N 2.93Š| ||
| 426 | R | 22.6 | Very low | 25.4 | Very low | 229 Ų | 229 | 154.3 Ų | 154.3 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | trans | -84.6 | 98.3 | 166 | -79.2 | -177.4 | 176 | 177.4 | -0.5 | 109 | T424 | T424-R426 PolarHBondContact O-N 2.9Š| ||
| 427 | S | 25.6 | Very low | 25.3 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | -68 | 127.1 | 163.3 | 46.4 | 0 | 0 | 0 | 0 | 109.8 | C425 S429 | C425-S427 PolarHBondContact O-N 2.93Å; S427-S429 PolarHBondContact O-N 3.12Å | ||
| 428 | W | 22.8 | Very low | 25.2 | Very low | 256 Ų | 256 | 153.7 Ų | 153.7 | 97% | 0.97 | 83% | 0.828 | S | S | * | * | trans | -80.6 | 100 | 168.4 | -77.5 | 47.5 | 0 | 0 | 0 | 108.2 | ||||
| 429 | S | 24.5 | Very low | 25.3 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 135.9 | 167.4 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | S427 | S427-S429 PolarHBondContact O-N 3.12Š|
| 430 | R | 26 | Very low | 25.2 | Very low | 240 Ų | 240 | 156.4 Ų | 156.4 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 147.6 | 173.2 | -73.6 | 177.2 | 171.4 | -172.2 | -2.7 | 111.2 | ||
| 431 | P | 25.7 | Very low | 25.1 | Very low | 136 Ų | 136 | 156.2 Ų | 156.2 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 142.7 | -176.3 | 27 | -18.1 | 0 | 0 | 0 | 113.2 | ||
| 432 | G | 23.9 | Very low | 25.1 | Very low | 67 Ų | 67 | 158.3 Ų | 158.3 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | 169.9 | 62.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 433 | I | 28.7 | Very low | 25.1 | Very low | 166 Ų | 166 | 158.5 Ų | 158.5 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | 69.3 | 157.9 | 147.5 | -13.5 | -177.8 | 0 | 0 | 0 | 119.5 | ||||
| 434 | P | 25.5 | Very low | 25.1 | Very low | 116 Ų | 116 | 160 Ų | 160 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | -114.7 | 157.2 | -91 | 36.7 | -21.1 | 0 | 0 | 0 | 114.7 | |||||
| 435 | Q | 23.9 | Very low | 25 | Very low | 194 Ų | 194 | 157.8 Ų | 157.8 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -68.7 | 143.1 | 172.6 | -99.8 | 177 | -50.8 | 0 | 0 | 113.3 | ||||
| 436 | L | 24.7 | Very low | 25 | Very low | 177 Ų | 177 | 159.9 Ų | 159.9 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | trans | -123.6 | 134.4 | 154.2 | -114 | 139.1 | 0 | 0 | 0 | 108.4 | ||||
| 437 | S | 24.2 | Very low | 25 | Very low | 85 Ų | 85 | 157 Ų | 157 | 59% | 0.594 | 81% | 0.806 | S | S | * | * | trans | -105.7 | 176.3 | -160.2 | 43.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 438 | Y | 24.8 | Very low | 25 | Very low | 207 Ų | 207 | 156.3 Ų | 156.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | 80.7 | 135.2 | 164.5 | -77 | -83.3 | 0 | 0 | 0 | 115.2 | ||||
| 439 | I | 27.5 | Very low | 25 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | cis | -151 | 150.5 | 33.2 | -69.1 | 178.2 | 0 | 0 | 0 | 110.6 | ||||
| 440 | Q | 24.7 | Very low | 25 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -63.8 | 151.8 | 168.9 | -76.7 | 157.8 | -61.7 | 0 | 0 | 113.3 | ||||
| 441 | D | 25.5 | Very low | 24.9 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | -166 | 151.8 | 123.8 | -97.4 | -23.8 | 0 | 0 | 0 | 113.5 | |||||
| 442 | Q | 25.3 | Very low | 24.9 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -81.9 | 151.8 | -170.1 | -58.3 | 168.9 | -30.3 | 0 | 0 | 112.7 | ||||
| 443 | Q | 25.7 | Very low | 25 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | 160.5 | 160.7 | 115.2 | -95.3 | 177.6 | -15 | 0 | 0 | 114 | |||||
| 444 | E | 23.7 | Very low | 24.8 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -93.2 | 166.4 | -152.4 | -60 | 167.6 | 128.6 | 0 | 0 | 116.2 | ||||
| 445 | A | 24.5 | Very low | 24.9 | Very low | 93 Ų | 93 | 155.5 Ų | 155.5 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | 82 | 113.9 | 138.5 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 446 | K | 24.7 | Very low | 25 | Very low | 181 Ų | 181 | 157.3 Ų | 157.3 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | 71.5 | 125.6 | 125.6 | -77.2 | -170.7 | 173.6 | -170.4 | 0 | 123.9 | |||||
| 447 | E | 23.8 | Very low | 25.4 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | 82.6 | 111.1 | 133.2 | -78.8 | 174.2 | -177.7 | 0 | 0 | 122.8 | ||||
| 448 | A | 24.3 | Very low | 25.6 | Very low | 87 Ų | 87 | 157 Ų | 157 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | 75 | 112.3 | 125.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 449 | S | 23.1 | Very low | 25.8 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | 105.7 | 130 | 124.1 | 80.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 450 | K | 24.3 | Very low | 25.8 | Very low | 192 Ų | 192 | 154.5 Ų | 154.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 79.2 | 109.8 | 152.5 | -70.2 | -179 | 179.6 | -179.8 | 0 | 121.6 | ||||
| 451 | L | 24.7 | Very low | 26 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | 39.1 | 120.7 | 129.1 | -63.6 | 165.9 | 0 | 0 | 0 | 119.5 | |||||
| 452 | V | 26.1 | Very low | 26.3 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | -167.3 | 147.6 | 119.4 | 167.2 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 453 | E | 25.6 | Very low | 26.6 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -68 | 147 | -175.5 | -60.8 | 166.4 | 142.6 | 0 | 0 | 115.5 | ||||
| 454 | D | 24.9 | Very low | 27.3 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | 128.6 | 133.6 | 117.3 | -142.4 | 14.2 | 0 | 0 | 0 | 118.1 | |||||
| 455 | D | 26.1 | Very low | 27.9 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | trans | 56.1 | 106.9 | 154.8 | -152.1 | 31.1 | 0 | 0 | 0 | 121.9 | ||||
| 456 | R | 27.8 | Very low | 28.2 | Very low | 232 Ų | 232 | 149.1 Ų | 149.1 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | 177.4 | 129.4 | 122.2 | -94 | 165.9 | -143 | -143.4 | 4.8 | 111.7 | |||||
| 457 | G | 31.6 | Very low | 28.7 | Very low | 77 Ų | 77 | 149.1 Ų | 149.1 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -65 | 132.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 458 | Q | 29.1 | Very low | 29.4 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -152.6 | 117.1 | 155.7 | -106.8 | 174.7 | 4.8 | 0 | 0 | 109.3 | H460 | Q458-H460 PolarHBondContact O-N 3.38Å; Q458-H460 VanDerWaalsContact O-N 3.16Å | ||
| 459 | T | 28.6 | Very low | 30.4 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -74.2 | 96.7 | 179.7 | 34.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 460 | H | 27.3 | Very low | 31.7 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -73.3 | 122.8 | 164.1 | -93.5 | -90.7 | 0 | 0 | 0 | 110.3 | Q458 I462 | Q458-H460 PolarHBondContact O-N 3.38Å; Q458-H460 VanDerWaalsContact O-N 3.16Å; H460-I462 PolarHBondContact O-N 2.93Å | ||
| 461 | V | 29.9 | Very low | 33.3 | Very low | 124 Ų | 124 | 143 Ų | 143 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -80.8 | 104.1 | 169.1 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 462 | I | 31.3 | Very low | 34.9 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -85.6 | 115.4 | 173.5 | -61.2 | 175.2 | 0 | 0 | 0 | 108 | H460 | H460-I462 PolarHBondContact O-N 2.93Š| ||
| 463 | N | 31.1 | Very low | 37 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -76.1 | 127.1 | 165.7 | -82.5 | -26.7 | 0 | 0 | 0 | 109.2 | ||||
| 464 | G | 41.7 | Very low | 39.2 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 77.8 | 32.5 | 130.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 465 | E | 35.9 | Very low | 41.9 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -140.6 | 93.2 | 163.8 | -72.3 | -171.7 | 159.5 | 0 | 0 | 110.5 | ||||
| 466 | D | 30.1 | Very low | 44.4 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | -176.6 | 72.9 | 149.6 | -103 | -17.1 | 0 | 0 | 0 | 109.9 | A468 | D466-A468 VanDerWaalsContact C-N 3.35Š| ||
| 467 | L | 36 | Very low | 47.1 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 95% | 0.948 | 74% | 0.737 | S | S | * | * | trans | -93.5 | 4.9 | 167.2 | -99 | 159.7 | 0 | 0 | 0 | 112.5 | ||||
| 468 | A | 37.1 | Very low | 49.5 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -109.3 | 74.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D466 | D466-A468 VanDerWaalsContact C-N 3.35Š|
| 469 | L | 46.3 | Very low | 52 | Low | 150 Ų | 150 | 127.8 Ų | 127.8 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -179.9 | 51.1 | 153.4 | -95.1 | 158.7 | 0 | 0 | 0 | 111.7 | S471 | L469-S471 VanDerWaalsContact C-N 3.32Å; L469-S471 PolarHBondContact O-N 3.1Å | ||
| 470 | C | 50.8 | Low | 54.4 | Low | 128 Ų | 128 | 129.6 Ų | 129.6 | 87% | 0.865 | 70% | 0.697 | S | S | * | * | trans | -93.3 | 60.1 | 167.6 | -97.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 471 | S | 57.4 | Low | 57.1 | Low | 70 Ų | 70 | 126.9 Ų | 126.9 | 49% | 0.49 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -73.6 | 134 | 162.2 | 49.4 | 0 | 0 | 0 | 0 | 109.6 | L469 K482 | L469-S471 VanDerWaalsContact C-N 3.32Å; L469-S471 PolarHBondContact O-N 3.1Å; S471-K482 PolarHBondContact O-NZ 3.07Å |
| 472 | P | 57.8 | Low | 59.7 | Low | 100 Ų | 100 | 124.6 Ų | 124.6 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 134.7 | 175.2 | 23 | -29.9 | 0 | 0 | 0 | 109.4 | R474 | P472-R474 PolarHBondContact O-N 2.89Š|
| 473 | P | 71.2 | Confident | 62.4 | Low | 44 Ų | 44 | 123.6 Ų | 123.6 | 29% | 0.286 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 129.8 | 179.2 | 23.8 | -29.7 | 0 | 0 | 0 | 109.5 | E478 L479 K482 | P473-E478 HydrophobicContact CB-CB 3.79Å; P473-L479 HydrophobicContact CB-CB 4.3Å; P473-L479 HydrophobicContact CB-CD1 4.39Å; P473-L479 HydrophobicContact CG-CB 4.28Å; P473-L479 HydrophobicContact CG-CD1 3.48Å; P473-L479 VanDerWaalsContact CG-CD1 3.48Å; P473-L479 HydrophobicContact CG-CG 4.48Å; P473-K482 HydrophobicContact CB-CD 4.4Å; P473-K482 HydrophobicContact CG-CD 4.35Å |
| 474 | R | 70.4 | Confident | 65.1 | Low | 225 Ų | 225 | 121.1 Ų | 121.1 | 85% | 0.849 | 64% | 0.644 | S | S | * | * | trans | -95.1 | -15.9 | -174.1 | -67.4 | -176 | 177.4 | 177.1 | -0.8 | 112.7 | P472 E478 | P472-R474 PolarHBondContact O-N 2.89Å; R474-E478 PolarHBondContact N-OE2 3.49Å | ||
| 475 | T | 82.9 | Confident | 67.3 | Low | 72 Ų | 72 | 124.4 Ų | 124.4 | 44% | 0.442 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -127 | 154 | 179.8 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | N477 E478 L479 | T475-N477 PolarHBondContact O-N 3.23Å; T475-E478 PolarHBondContact O-N 3.01Å; T475-E478 VanDerWaalsContact O-N 3.16Å; T475-E478 VanDerWaalsContact OG1-CG 3.32Å; T475-E478 WeakPolarHBondContact OG1-CG 3.31Å; T475-E478 PolarHBondContact OG1-N 3.07Å; T475-L479 PolarHBondContact O-N 3.41Å |
| 476 | E | 78.9 | Confident | 69.9 | Low | 166 Ų | 166 | 122.1 Ų | 122.1 | 78% | 0.776 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.3 | -34.3 | 178.1 | -169.9 | 178.5 | 171.7 | 0 | 0 | 112.3 | L479 R480 | E476-L479 PolarHBondContact O-N 2.87Å; E476-R480 WeakPolarHBondContact O-CB 3.39Å; E476-R480 PolarHBondContact O-N 3.11Å |
| 477 | N | 82.8 | Confident | 72.6 | Confident | 126 Ų | 126 | 119.3 Ų | 119.3 | 67% | 0.674 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.9 | -39.8 | 176.4 | -70.3 | -25.4 | 0 | 0 | 0 | 112.4 | T475 R480 L481 | T475-N477 PolarHBondContact O-N 3.23Å; N477-R480 PolarHBondContact O-N 3.14Å; N477-L481 WeakPolarHBondContact O-CB 3.49Å; N477-L481 PolarHBondContact O-N 3.49Å |
| 478 | E | 83.3 | Confident | 75.2 | Confident | 95 Ų | 95 | 115.6 Ų | 115.6 | 44% | 0.444 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.6 | -39.1 | 174.3 | -76.6 | 173.3 | -178.1 | 0 | 0 | 112 | P473 R474 T475 L481 K482 | P473-E478 HydrophobicContact CB-CB 3.79Å; R474-E478 PolarHBondContact N-OE2 3.49Å; T475-E478 PolarHBondContact O-N 3.01Å; T475-E478 VanDerWaalsContact O-N 3.16Å; T475-E478 VanDerWaalsContact OG1-CG 3.32Å; T475-E478 WeakPolarHBondContact OG1-CG 3.31Å; T475-E478 PolarHBondContact OG1-N 3.07Å; E478-L481 PolarHBondContact O-N 3.31Å; E478-K482 PolarHBondContact O-N 3.46Å |
| 479 | L | 81.1 | Confident | 77.8 | Confident | 106 Ų | 106 | 116 Ų | 116 | 56% | 0.555 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.1 | -46.5 | 175.5 | -169.4 | 85.1 | 0 | 0 | 0 | 110.4 | P473 T475 E476 L481 K482 F483 | P473-L479 HydrophobicContact CB-CB 4.3Å; P473-L479 HydrophobicContact CB-CD1 4.39Å; P473-L479 HydrophobicContact CG-CB 4.28Å; P473-L479 HydrophobicContact CG-CD1 3.48Å; P473-L479 VanDerWaalsContact CG-CD1 3.48Å; P473-L479 HydrophobicContact CG-CG 4.48Å; T475-L479 PolarHBondContact O-N 3.41Å; E476-L479 PolarHBondContact O-N 2.87Å; L479-L481 PolarHBondContact O-N 3.09Å; L479-K482 PolarHBondContact O-N 2.9Å; L479-F483 WeakPolarHBondContact O-CB 3.45Å; L479-F483 PolarHBondContact O-N 3.37Å |
| 480 | R | 79.4 | Confident | 79.9 | Confident | 182 Ų | 182 | 113 Ų | 113 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.3 | -40 | 178.4 | -167.9 | 174.3 | 179.7 | 170.7 | -0.5 | 112.1 | E476 N477 F483 L484 | E476-R480 WeakPolarHBondContact O-CB 3.39Å; E476-R480 PolarHBondContact O-N 3.11Å; N477-R480 PolarHBondContact O-N 3.14Å; R480-F483 PolarHBondContact O-N 3.06Å; R480-L484 WeakPolarHBondContact O-CG 3.43Å; R480-L484 PolarHBondContact O-N 3.31Å |
| 481 | L | 84.6 | Confident | 81.8 | Confident | 106 Ų | 106 | 113.4 Ų | 113.4 | 56% | 0.555 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | 177 | -153.8 | 96.7 | 0 | 0 | 0 | 111.8 | N477 E478 L479 L484 K485 | N477-L481 WeakPolarHBondContact O-CB 3.49Å; N477-L481 PolarHBondContact O-N 3.49Å; E478-L481 PolarHBondContact O-N 3.31Å; L479-L481 PolarHBondContact O-N 3.09Å; L481-L484 PolarHBondContact O-N 2.6Å; L481-K485 WeakPolarHBondContact O-CG 3.42Å; L481-K485 PolarHBondContact O-N 3.09Å |
| 482 | K | 84.3 | Confident | 83.5 | Confident | 77 Ų | 77 | 117.3 Ų | 117.3 | 34% | 0.335 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 174.7 | -78.3 | -167.1 | 175.4 | -169.6 | 0 | 111.8 | S471 P473 E478 L479 K485 Q486 | S471-K482 PolarHBondContact O-NZ 3.07Å; P473-K482 HydrophobicContact CB-CD 4.4Å; P473-K482 HydrophobicContact CG-CD 4.35Å; E478-K482 PolarHBondContact O-N 3.46Å; L479-K482 PolarHBondContact O-N 2.9Å; K482-K485 PolarHBondContact O-N 3.37Å; K482-Q486 WeakPolarHBondContact O-CG 3.24Å; K482-Q486 PolarHBondContact O-N 3.5Å |
| 483 | F | 87.2 | Confident | 85 | Confident | 128 Ų | 128 | 117 Ų | 117 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.3 | -46.8 | 176.1 | -179.6 | -95.3 | 0 | 0 | 0 | 112 | L479 R480 K485 Q486 Q487 | L479-F483 WeakPolarHBondContact O-CB 3.45Å; L479-F483 PolarHBondContact O-N 3.37Å; R480-F483 PolarHBondContact O-N 3.06Å; F483-K485 PolarHBondContact O-N 3.34Å; F483-Q486 PolarHBondContact O-N 3.28Å; F483-Q487 WeakPolarHBondContact O-CB 3.28Å; F483-Q487 PolarHBondContact O-N 2.82Å |
| 484 | L | 88.1 | Confident | 85.9 | Confident | 95 Ų | 95 | 123.6 Ų | 123.6 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.8 | -41.5 | 177.3 | -70.3 | 171.9 | 0 | 0 | 0 | 112.1 | R480 L481 Q487 E488 | R480-L484 WeakPolarHBondContact O-CG 3.43Å; R480-L484 PolarHBondContact O-N 3.31Å; L481-L484 PolarHBondContact O-N 2.6Å; L484-Q487 PolarHBondContact O-N 3.48Å; L484-E488 PolarHBondContact O-N 2.81Å |
| 485 | K | 87.5 | Confident | 86.9 | Confident | 149 Ų | 149 | 118.6 Ų | 118.6 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 174.7 | -77.9 | -173.9 | 176 | -172.5 | 0 | 112.2 | L481 K482 F483 Q487 E488 E489 | L481-K485 WeakPolarHBondContact O-CG 3.42Å; L481-K485 PolarHBondContact O-N 3.09Å; K482-K485 PolarHBondContact O-N 3.37Å; F483-K485 PolarHBondContact O-N 3.34Å; K485-Q487 VanDerWaalsContact C-N 3.33Å; K485-Q487 PolarHBondContact O-N 3.48Å; K485-E488 PolarHBondContact O-N 3.44Å; K485-E489 PolarHBondContact O-N 2.85Å |
| 486 | Q | 89.8 | Confident | 87.4 | Confident | 129 Ų | 129 | 118.4 Ų | 118.4 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -39 | 175.2 | -79.3 | -177.3 | -20.3 | 0 | 0 | 112 | K482 F483 E488 E489 I490 | K482-Q486 WeakPolarHBondContact O-CG 3.24Å; K482-Q486 PolarHBondContact O-N 3.5Å; F483-Q486 PolarHBondContact O-N 3.28Å; Q486-E488 VanDerWaalsContact C-N 3.33Å; Q486-E488 PolarHBondContact O-N 3.33Å; Q486-E489 PolarHBondContact O-N 3.36Å; Q486-I490 WeakPolarHBondContact O-CB 3.31Å; Q486-I490 VanDerWaalsContact O-CG1 3.23Å; Q486-I490 WeakPolarHBondContact O-CG1 3.46Å; Q486-I490 PolarHBondContact O-N 2.83Å |
| 487 | Q | 88.4 | Confident | 88 | Confident | 99 Ų | 99 | 115.7 Ų | 115.7 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 178.8 | -163.6 | 177.9 | 4.4 | 0 | 0 | 111.9 | F483 L484 K485 R491 | F483-Q487 WeakPolarHBondContact O-CB 3.28Å; F483-Q487 PolarHBondContact O-N 2.82Å; L484-Q487 PolarHBondContact O-N 3.48Å; K485-Q487 VanDerWaalsContact C-N 3.33Å; K485-Q487 PolarHBondContact O-N 3.48Å; Q487-R491 PolarHBondContact O-N 3.39Å; Q487-R491 VanDerWaalsContact O-N 3.09Å |
| 488 | E | 90.2 | Very high | 88.4 | Confident | 102 Ų | 102 | 114.8 Ų | 114.8 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.6 | -41.7 | 176.2 | -158.9 | 59.8 | -136.8 | 0 | 0 | 112 | L484 K485 Q486 I490 R491 R492 | L484-E488 PolarHBondContact O-N 2.81Å; K485-E488 PolarHBondContact O-N 3.44Å; Q486-E488 VanDerWaalsContact C-N 3.33Å; Q486-E488 PolarHBondContact O-N 3.33Å; E488-I490 VanDerWaalsContact C-N 3.34Å; E488-I490 PolarHBondContact O-N 3.2Å; E488-R491 WeakPolarHBondContact O-CB 3.44Å; E488-R491 PolarHBondContact O-N 2.62Å; E488-R491 VanDerWaalsContact O-N 3.12Å; E488-R491 IonicContact OE1-CZ 2.71Å; E488-R491 IonicContact OE1-NH1 3.99Å; E488-R491 PolarHBondContact OE1-NH1 3.4Å; E488-R491 IonicContact OE2-CZ 3.18Å; E488-R491 IonicContact OE2-NH1 2.79Å; E488-R491 PolarHBondContact OE2-NH1 3.37Å; E488-R492 PolarHBondContact O-N 2.9Å |
| 489 | E | 90.6 | Very high | 88.8 | Confident | 87 Ų | 87 | 116 Ų | 116 | 41% | 0.407 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 177.4 | -171.5 | 59.1 | -160.3 | 0 | 0 | 111.6 | K485 Q486 R491 R492 L493 | K485-E489 PolarHBondContact O-N 2.85Å; Q486-E489 PolarHBondContact O-N 3.36Å; E489-R491 VanDerWaalsContact C-N 3.31Å; E489-R491 PolarHBondContact O-N 2.94Å; E489-R492 PolarHBondContact O-N 3.26Å; E489-R492 IonicContact OE2-NH1 3.33Å; E489-L493 HydrophobicContact CG-CD1 4.18Å; E489-L493 HydrophobicContact CG-CG 4.47Å; E489-L493 WeakPolarHBondContact O-CB 3.37Å; E489-L493 VanDerWaalsContact O-CG 3.29Å; E489-L493 WeakPolarHBondContact O-CG 3.4Å; E489-L493 PolarHBondContact O-N 3.15Å |
| 490 | I | 90.3 | Very high | 89.3 | Confident | 86 Ų | 86 | 119.1 Ų | 119.1 | 44% | 0.441 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 173.1 | -69.9 | 166.5 | 0 | 0 | 0 | 110.9 | Q486 E488 R494 | Q486-I490 WeakPolarHBondContact O-CB 3.31Å; Q486-I490 VanDerWaalsContact O-CG1 3.23Å; Q486-I490 WeakPolarHBondContact O-CG1 3.46Å; Q486-I490 PolarHBondContact O-N 2.83Å; E488-I490 VanDerWaalsContact C-N 3.34Å; E488-I490 PolarHBondContact O-N 3.2Å; I490-R494 WeakPolarHBondContact O-CB 3.48Å; I490-R494 VanDerWaalsContact O-CG 3.26Å; I490-R494 WeakPolarHBondContact O-CG 3.37Å; I490-R494 PolarHBondContact O-N 3.16Å |
| 491 | R | 91.6 | Very high | 89.9 | Confident | 137 Ų | 137 | 113.9 Ų | 113.9 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 175.8 | -174.3 | -172.1 | -74.3 | 137.6 | -1.9 | 110.6 | Q487 E488 E489 L493 R494 E495 | Q487-R491 PolarHBondContact O-N 3.39Å; Q487-R491 VanDerWaalsContact O-N 3.09Å; E488-R491 WeakPolarHBondContact O-CB 3.44Å; E488-R491 PolarHBondContact O-N 2.62Å; E488-R491 VanDerWaalsContact O-N 3.12Å; E488-R491 IonicContact OE1-CZ 2.71Å; E488-R491 IonicContact OE1-NH1 3.99Å; E488-R491 PolarHBondContact OE1-NH1 3.4Å; E488-R491 IonicContact OE2-CZ 3.18Å; E488-R491 IonicContact OE2-NH1 2.79Å; E488-R491 PolarHBondContact OE2-NH1 3.37Å; E489-R491 VanDerWaalsContact C-N 3.31Å; E489-R491 PolarHBondContact O-N 2.94Å; R491-L493 PolarHBondContact O-N 3.5Å; R491-R494 WeakPolarHBondContact O-CB 3.47Å; R491-R494 PolarHBondContact O-N 3.04Å; R491-E495 PolarHBondContact O-N 3.43Å; R491-E495 VanDerWaalsContact O-N 3.1Å |
| 492 | R | 93.4 | Very high | 90.4 | Very high | 153 Ų | 153 | 113.1 Ų | 113.1 | 58% | 0.577 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 178.7 | -171.8 | -174.2 | -179.2 | -161.7 | 2.2 | 112.3 | E488 E489 R494 E495 L496 | E488-R492 PolarHBondContact O-N 2.9Å; E489-R492 PolarHBondContact O-N 3.26Å; E489-R492 IonicContact OE2-NH1 3.33Å; R492-R494 VanDerWaalsContact C-N 3.34Å; R492-R494 PolarHBondContact O-N 3.43Å; R492-E495 PolarHBondContact O-N 2.98Å; R492-L496 PolarHBondContact O-N 3.38Å |
| 493 | L | 88.8 | Confident | 90.7 | Very high | 94 Ų | 94 | 115.3 Ų | 115.3 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 178.2 | -72.8 | 172.3 | 0 | 0 | 0 | 112.2 | E489 R491 E495 L496 L497 | E489-L493 HydrophobicContact CG-CD1 4.18Å; E489-L493 HydrophobicContact CG-CG 4.47Å; E489-L493 WeakPolarHBondContact O-CB 3.37Å; E489-L493 VanDerWaalsContact O-CG 3.29Å; E489-L493 WeakPolarHBondContact O-CG 3.4Å; E489-L493 PolarHBondContact O-N 3.15Å; R491-L493 PolarHBondContact O-N 3.5Å; L493-E495 VanDerWaalsContact C-N 3.34Å; L493-L496 PolarHBondContact O-N 2.94Å; L493-L497 WeakPolarHBondContact O-CB 3.39Å; L493-L497 PolarHBondContact O-N 3Å |
| 494 | R | 89.8 | Confident | 91 | Very high | 181 Ų | 181 | 113.3 Ų | 113.3 | 68% | 0.683 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -40.1 | 174.8 | -75.9 | 173.3 | 178.5 | -169.3 | 0.6 | 112.1 | I490 R491 R492 L497 N498 | I490-R494 WeakPolarHBondContact O-CB 3.48Å; I490-R494 VanDerWaalsContact O-CG 3.26Å; I490-R494 WeakPolarHBondContact O-CG 3.37Å; I490-R494 PolarHBondContact O-N 3.16Å; R491-R494 WeakPolarHBondContact O-CB 3.47Å; R491-R494 PolarHBondContact O-N 3.04Å; R492-R494 VanDerWaalsContact C-N 3.34Å; R492-R494 PolarHBondContact O-N 3.43Å; R494-L497 PolarHBondContact O-N 3Å; R494-N498 WeakPolarHBondContact O-CB 3.41Å; R494-N498 PolarHBondContact O-N 3Å |
| 495 | E | 92.1 | Very high | 91.2 | Very high | 120 Ų | 120 | 115.8 Ų | 115.8 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.7 | -42.2 | 178.5 | -167.6 | 154.3 | -162.5 | 0 | 0 | 111.8 | R491 R492 L493 L497 N498 Q499 | R491-E495 PolarHBondContact O-N 3.43Å; R491-E495 VanDerWaalsContact O-N 3.1Å; R492-E495 PolarHBondContact O-N 2.98Å; L493-E495 VanDerWaalsContact C-N 3.34Å; E495-L497 VanDerWaalsContact C-N 3.32Å; E495-L497 PolarHBondContact O-N 3.37Å; E495-N498 PolarHBondContact O-N 3.43Å; E495-Q499 WeakPolarHBondContact O-CG 3.5Å; E495-Q499 PolarHBondContact O-N 3.27Å |
| 496 | L | 92.6 | Very high | 91.3 | Very high | 68 Ų | 68 | 113.5 Ų | 113.5 | 36% | 0.356 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 171.5 | -99.4 | 161.3 | 0 | 0 | 0 | 112.6 | R492 L493 Q499 R500 | R492-L496 PolarHBondContact O-N 3.38Å; L493-L496 PolarHBondContact O-N 2.94Å; L496-Q499 PolarHBondContact O-N 3.27Å; L496-R500 WeakPolarHBondContact O-CG 3.29Å; L496-R500 PolarHBondContact O-N 3.47Å |
| 497 | L | 91.3 | Very high | 91.4 | Very high | 109 Ų | 109 | 110.7 Ų | 110.7 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 178.2 | -160.4 | 127.8 | 0 | 0 | 0 | 110.9 | L493 R494 E495 Q499 R500 D501 | L493-L497 WeakPolarHBondContact O-CB 3.39Å; L493-L497 PolarHBondContact O-N 3Å; R494-L497 PolarHBondContact O-N 3Å; E495-L497 VanDerWaalsContact C-N 3.32Å; E495-L497 PolarHBondContact O-N 3.37Å; L497-Q499 VanDerWaalsContact C-N 3.35Å; L497-Q499 PolarHBondContact O-N 3.1Å; L497-R500 PolarHBondContact O-N 3.25Å; L497-R500 VanDerWaalsContact O-N 3.16Å; L497-D501 PolarHBondContact O-N 3.06Å |
| 498 | N | 92.3 | Very high | 91.6 | Very high | 107 Ų | 107 | 111.7 Ų | 111.7 | 57% | 0.572 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 177.4 | -155 | 20.2 | 0 | 0 | 0 | 112 | R494 E495 R500 D501 V502 | R494-N498 WeakPolarHBondContact O-CB 3.41Å; R494-N498 PolarHBondContact O-N 3Å; E495-N498 PolarHBondContact O-N 3.43Å; N498-R500 PolarHBondContact O-N 3.47Å; N498-D501 PolarHBondContact O-N 3.47Å; N498-V502 WeakPolarHBondContact O-CG2 3.26Å; N498-V502 PolarHBondContact O-N 2.87Å; N498-V502 VanDerWaalsContact O-N 3.09Å |
| 499 | Q | 91.9 | Very high | 91.6 | Very high | 120 Ų | 120 | 111.9 Ų | 111.9 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -41.2 | 173.7 | -71.8 | 175.6 | 4.5 | 0 | 0 | 112.1 | E495 L496 L497 V502 R503 | E495-Q499 WeakPolarHBondContact O-CG 3.5Å; E495-Q499 PolarHBondContact O-N 3.27Å; L496-Q499 PolarHBondContact O-N 3.27Å; L497-Q499 VanDerWaalsContact C-N 3.35Å; L497-Q499 PolarHBondContact O-N 3.1Å; Q499-V502 PolarHBondContact O-N 2.9Å; Q499-R503 PolarHBondContact O-N 2.94Å; Q499-R503 VanDerWaalsContact O-N 3.11Å |
| 500 | R | 91.4 | Very high | 91.6 | Very high | 173 Ų | 173 | 111.9 Ų | 111.9 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -40.6 | 176.2 | -73.2 | -179.4 | 178.2 | -179.1 | 0.8 | 112 | L496 L497 N498 V502 R503 I504 | L496-R500 WeakPolarHBondContact O-CG 3.29Å; L496-R500 PolarHBondContact O-N 3.47Å; L497-R500 PolarHBondContact O-N 3.25Å; L497-R500 VanDerWaalsContact O-N 3.16Å; N498-R500 PolarHBondContact O-N 3.47Å; R500-V502 VanDerWaalsContact C-N 3.34Å; R500-V502 PolarHBondContact O-N 3.28Å; R500-R503 WeakPolarHBondContact O-CB 3.5Å; R500-R503 PolarHBondContact O-N 3.45Å; R500-R503 VanDerWaalsContact O-N 3.14Å; R500-I504 WeakPolarHBondContact O-CG1 3.47Å; R500-I504 PolarHBondContact O-N 3.43Å |
| 501 | D | 91.9 | Very high | 91.6 | Very high | 71 Ų | 71 | 112.4 Ų | 112.4 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 177.6 | -72.9 | -19.4 | 0 | 0 | 0 | 112.1 | L497 N498 R503 I504 K505 | L497-D501 PolarHBondContact O-N 3.06Å; N498-D501 PolarHBondContact O-N 3.47Å; D501-R503 VanDerWaalsContact C-N 3.34Å; D501-I504 PolarHBondContact O-N 3.09Å; D501-K505 WeakPolarHBondContact O-CG 3.42Å; D501-K505 PolarHBondContact O-N 3.04Å |
| 502 | V | 94.1 | Very high | 91.5 | Very high | 90 Ų | 90 | 112.4 Ų | 112.4 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 173 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | N498 Q499 R500 I504 K505 Q506 | N498-V502 WeakPolarHBondContact O-CG2 3.26Å; N498-V502 PolarHBondContact O-N 2.87Å; N498-V502 VanDerWaalsContact O-N 3.09Å; Q499-V502 PolarHBondContact O-N 2.9Å; R500-V502 VanDerWaalsContact C-N 3.34Å; R500-V502 PolarHBondContact O-N 3.28Å; V502-I504 PolarHBondContact O-N 3.16Å; V502-K505 PolarHBondContact O-N 3.39Å; V502-Q506 PolarHBondContact O-N 3.4Å |
| 503 | R | 90.9 | Very high | 91.2 | Very high | 123 Ų | 123 | 109.6 Ų | 109.6 | 46% | 0.464 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 178.6 | -174.7 | 59.2 | 178.8 | 160.7 | 5.1 | 112.3 | Q499 R500 D501 Q506 L507 | Q499-R503 PolarHBondContact O-N 2.94Å; Q499-R503 VanDerWaalsContact O-N 3.11Å; R500-R503 WeakPolarHBondContact O-CB 3.5Å; R500-R503 PolarHBondContact O-N 3.45Å; R500-R503 VanDerWaalsContact O-N 3.14Å; D501-R503 VanDerWaalsContact C-N 3.34Å; R503-Q506 PolarHBondContact O-N 3.5Å; R503-L507 HydrophobicContact CG-CD1 4.27Å; R503-L507 WeakPolarHBondContact O-CG 3.46Å; R503-L507 PolarHBondContact O-N 3.34Å |
| 504 | I | 94.1 | Very high | 91.1 | Very high | 86 Ų | 86 | 109.7 Ų | 109.7 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 176.2 | -70.8 | 165.5 | 0 | 0 | 0 | 110.1 | R500 D501 V502 Q506 L507 E508 | R500-I504 WeakPolarHBondContact O-CG1 3.47Å; R500-I504 PolarHBondContact O-N 3.43Å; D501-I504 PolarHBondContact O-N 3.09Å; V502-I504 PolarHBondContact O-N 3.16Å; I504-Q506 VanDerWaalsContact C-N 3.25Å; I504-Q506 PolarHBondContact O-N 3.12Å; I504-L507 PolarHBondContact O-N 3.48Å; I504-L507 VanDerWaalsContact O-N 3.15Å; I504-E508 HydrophobicContact CG2-CG 4.33Å; I504-E508 WeakPolarHBondContact O-CG 3.23Å; I504-E508 PolarHBondContact O-N 3.03Å |
| 505 | K | 91.6 | Very high | 90.7 | Very high | 147 Ų | 147 | 107.5 Ų | 107.5 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.6 | -37.6 | 177.2 | -74.4 | 178 | 178.9 | 175.4 | 0 | 112.8 | D501 V502 L509 | D501-K505 WeakPolarHBondContact O-CG 3.42Å; D501-K505 PolarHBondContact O-N 3.04Å; V502-K505 PolarHBondContact O-N 3.39Å; K505-L509 WeakPolarHBondContact O-CB 3.48Å; K505-L509 PolarHBondContact O-N 3.24Å; K505-L509 VanDerWaalsContact O-N 3.14Å |
| 506 | Q | 91 | Very high | 90 | Very high | 101 Ų | 101 | 106 Ų | 106 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 177.6 | -164.9 | 175.4 | 12.2 | 0 | 0 | 111.6 | V502 R503 I504 L509 E510 | V502-Q506 PolarHBondContact O-N 3.4Å; R503-Q506 PolarHBondContact O-N 3.5Å; I504-Q506 VanDerWaalsContact C-N 3.25Å; I504-Q506 PolarHBondContact O-N 3.12Å; Q506-L509 WeakPolarHBondContact O-CB 3.42Å; Q506-L509 PolarHBondContact O-N 2.92Å; Q506-E510 PolarHBondContact O-N 2.93Å |
| 507 | L | 91.7 | Very high | 89.2 | Confident | 70 Ų | 70 | 106.2 Ų | 106.2 | 37% | 0.366 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 176.2 | -70.9 | 170.6 | 0 | 0 | 0 | 112.2 | R503 I504 L509 E510 I511 | R503-L507 HydrophobicContact CG-CD1 4.27Å; R503-L507 WeakPolarHBondContact O-CG 3.46Å; R503-L507 PolarHBondContact O-N 3.34Å; I504-L507 PolarHBondContact O-N 3.48Å; I504-L507 VanDerWaalsContact O-N 3.15Å; L507-L509 VanDerWaalsContact C-N 3.25Å; L507-L509 PolarHBondContact O-N 3.31Å; L507-E510 PolarHBondContact O-N 3.49Å; L507-I511 VanDerWaalsContact O-CG1 3.28Å; L507-I511 WeakPolarHBondContact O-CG1 3.41Å; L507-I511 PolarHBondContact O-N 3.35Å |
| 508 | E | 91.6 | Very high | 88.1 | Confident | 120 Ų | 120 | 107.4 Ų | 107.4 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.9 | -38.2 | 173.9 | -74.3 | 177.1 | 165 | 0 | 0 | 111.8 | I504 K512 | I504-E508 HydrophobicContact CG2-CG 4.33Å; I504-E508 WeakPolarHBondContact O-CG 3.23Å; I504-E508 PolarHBondContact O-N 3.03Å; E508-K512 WeakPolarHBondContact O-CB 3.46Å; E508-K512 PolarHBondContact O-N 2.96Å |
| 509 | L | 91.3 | Very high | 86.7 | Confident | 106 Ų | 106 | 107.6 Ų | 107.6 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.2 | -39.4 | 178.4 | -153.3 | 133.3 | 0 | 0 | 0 | 111.7 | K505 Q506 L507 K512 N513 | K505-L509 WeakPolarHBondContact O-CB 3.48Å; K505-L509 PolarHBondContact O-N 3.24Å; K505-L509 VanDerWaalsContact O-N 3.14Å; Q506-L509 WeakPolarHBondContact O-CB 3.42Å; Q506-L509 PolarHBondContact O-N 2.92Å; L507-L509 VanDerWaalsContact C-N 3.25Å; L507-L509 PolarHBondContact O-N 3.31Å; L509-K512 PolarHBondContact O-N 2.71Å; L509-N513 VanDerWaalsContact O-CG 3.3Å; L509-N513 PolarHBondContact O-N 3.06Å |
| 510 | E | 89.8 | Confident | 84.9 | Confident | 88 Ų | 88 | 110.5 Ų | 110.5 | 41% | 0.411 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 172 | -75.6 | 175.4 | -172.8 | 0 | 0 | 111.8 | Q506 L507 K512 N513 I514 | Q506-E510 PolarHBondContact O-N 2.93Å; L507-E510 PolarHBondContact O-N 3.49Å; E510-K512 VanDerWaalsContact C-N 3.28Å; E510-K512 PolarHBondContact O-N 3.39Å; E510-N513 PolarHBondContact O-N 2.75Å; E510-I514 WeakPolarHBondContact O-CG1 3.5Å; E510-I514 PolarHBondContact O-N 3.46Å |
| 511 | I | 91.2 | Very high | 82.8 | Confident | 96 Ų | 96 | 109.4 Ų | 109.4 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.2 | -40.6 | 176 | -69.5 | 167.4 | 0 | 0 | 0 | 110.8 | L507 I514 K515 | L507-I511 VanDerWaalsContact O-CG1 3.28Å; L507-I511 WeakPolarHBondContact O-CG1 3.41Å; L507-I511 PolarHBondContact O-N 3.35Å; I511-I514 PolarHBondContact O-N 3.06Å; I511-K515 HydrophobicContact CG2-CD 4.43Å; I511-K515 WeakPolarHBondContact O-CG 3.49Å; I511-K515 PolarHBondContact O-N 3.42Å |
| 512 | K | 89.1 | Confident | 82.4 | Confident | 138 Ų | 138 | 111.3 Ų | 111.3 | 60% | 0.6 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.4 | -39.8 | 177.8 | -168.6 | 175.6 | -178.7 | 179.4 | 0 | 112 | E508 L509 E510 K515 N516 | E508-K512 WeakPolarHBondContact O-CB 3.46Å; E508-K512 PolarHBondContact O-N 2.96Å; L509-K512 PolarHBondContact O-N 2.71Å; E510-K512 VanDerWaalsContact C-N 3.28Å; E510-K512 PolarHBondContact O-N 3.39Å; K512-K515 PolarHBondContact O-N 2.9Å; K512-N516 VanDerWaalsContact O-CG 3.31Å; K512-N516 PolarHBondContact O-N 2.95Å |
| 513 | N | 87.1 | Confident | 81.8 | Confident | 94 Ų | 94 | 112.4 Ų | 112.4 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.3 | -40.4 | 176.8 | -72.5 | -14.2 | 0 | 0 | 0 | 112.2 | L509 E510 N516 S517 | L509-N513 VanDerWaalsContact O-CG 3.3Å; L509-N513 PolarHBondContact O-N 3.06Å; E510-N513 PolarHBondContact O-N 2.75Å; N513-N516 PolarHBondContact O-N 3.33Å; N513-S517 PolarHBondContact O-N 2.87Å; N513-S517 PolarHBondContact O-OG 3.44Å |
| 514 | I | 86.9 | Confident | 81.3 | Confident | 95 Ų | 95 | 111.8 Ų | 111.8 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.8 | -41.1 | 175.2 | -66.3 | 165.2 | 0 | 0 | 0 | 111.1 | E510 I511 N516 S517 Q518 | E510-I514 WeakPolarHBondContact O-CG1 3.5Å; E510-I514 PolarHBondContact O-N 3.46Å; I511-I514 PolarHBondContact O-N 3.06Å; I514-N516 VanDerWaalsContact C-N 3.32Å; I514-N516 PolarHBondContact O-N 3.39Å; I514-S517 PolarHBondContact O-N 3.01Å; I514-S517 PolarHBondContact O-OG 2.98Å; I514-Q518 WeakPolarHBondContact O-CG 3.32Å; I514-Q518 PolarHBondContact O-N 3.4Å; I514-Q518 VanDerWaalsContact O-N 3.16Å |
| 515 | K | 80.8 | Confident | 80.5 | Confident | 136 Ų | 136 | 113.4 Ų | 113.4 | 59% | 0.591 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.9 | -41.7 | 174.9 | -78.8 | -177.3 | 176.1 | -177.9 | 0 | 111.7 | I511 K512 Q518 T519 | I511-K515 HydrophobicContact CG2-CD 4.43Å; I511-K515 WeakPolarHBondContact O-CG 3.49Å; I511-K515 PolarHBondContact O-N 3.42Å; K512-K515 PolarHBondContact O-N 2.9Å; K515-Q518 PolarHBondContact O-N 3.06Å; K515-T519 PolarHBondContact O-N 3.16Å; K515-T519 PolarHBondContact O-OG1 3.29Å |
| 516 | N | 77.5 | Confident | 79.8 | Confident | 88 Ų | 88 | 111.3 Ų | 111.3 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.3 | -30.5 | 179.4 | -73.8 | -13.9 | 0 | 0 | 0 | 113.5 | K512 N513 I514 | K512-N516 VanDerWaalsContact O-CG 3.31Å; K512-N516 PolarHBondContact O-N 2.95Å; N513-N516 PolarHBondContact O-N 3.33Å; I514-N516 VanDerWaalsContact C-N 3.32Å; I514-N516 PolarHBondContact O-N 3.39Å |
| 517 | S | 75.6 | Confident | 79.1 | Confident | 73 Ų | 73 | 111.9 Ų | 111.9 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75.6 | -29.9 | 175.3 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | N513 I514 Q520 | N513-S517 PolarHBondContact O-N 2.87Å; N513-S517 PolarHBondContact O-OG 3.44Å; I514-S517 PolarHBondContact O-N 3.01Å; I514-S517 PolarHBondContact O-OG 2.98Å; S517-Q520 PolarHBondContact O-N 3.47Å |
| 518 | Q | 69.3 | Low | 78.2 | Confident | 134 Ų | 134 | 114.9 Ų | 114.9 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.9 | -21.4 | 174.4 | -73.2 | -177.7 | -13.1 | 0 | 0 | 113.9 | I514 K515 S521 | I514-Q518 WeakPolarHBondContact O-CG 3.32Å; I514-Q518 PolarHBondContact O-N 3.4Å; I514-Q518 VanDerWaalsContact O-N 3.16Å; K515-Q518 PolarHBondContact O-N 3.06Å; Q518-S521 PolarHBondContact O-OG 3.38Å |
| 519 | T | 61.3 | Low | 77.1 | Confident | 111 Ų | 111 | 114.5 Ų | 114.5 | 68% | 0.681 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -8.2 | 174.5 | -3.1 | 0 | 0 | 0 | 0 | 113.9 | K515 | K515-T519 PolarHBondContact O-N 3.16Å; K515-T519 PolarHBondContact O-OG1 3.29Å |
| 520 | Q | 54 | Low | 76 | Confident | 180 Ų | 180 | 115.3 Ų | 115.3 | 84% | 0.841 | 61% | 0.605 | S | S | * | * | trans | -105.6 | -0.7 | -179.5 | -71.1 | -171.1 | -11.5 | 0 | 0 | 113.9 | S517 | S517-Q520 PolarHBondContact O-N 3.47Š| ||
| 521 | S | 49 | Very low | 74.7 | Confident | 150 Ų | 150 | 117.7 Ų | 117.7 | 100% | 1.049 | 62% | 0.623 | S | S | * | * | trans | -101.3 | 0 | 166 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | Q518 | Q518-S521 PolarHBondContact O-OG 3.38Š|
Retrieved 521 of 521 residues in 211.8 ms
(Link to these results)