| 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 | 49.6 | Very low | 49.4 | Very low | 253 Ų | 253 | 144.2 Ų | 144.2 | 100% | 1.246 | 84% | 0.84 | S | S | * | * | 0 | 123 | 0 | -77.4 | 155.2 | 146.4 | 0 | 0 | 107.4 | |||||
| 2 | G | 42.3 | Very low | 49.3 | Very low | 68 Ų | 68 | 143.3 Ų | 143.3 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | trans | 90.5 | 96.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3 | S | 48.8 | Very low | 49 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | 60.7 | 118.9 | 66.4 | -45.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 4 | V | 54.6 | Low | 48.5 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 79% | 0.788 | 83% | 0.834 | S | S | * | * | -167.9 | 133.1 | 50.2 | -77 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 5 | S | 56.5 | Low | 48.2 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | 77.3 | 116.9 | 111.5 | -65.2 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 6 | N | 44.9 | Very low | 48.3 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | -27.9 | 141 | 157.6 | -69.1 | 1.8 | 0 | 0 | 0 | 116.2 | ||||
| 7 | Q | 54 | Low | 48.3 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -127.9 | 99.6 | 154 | -68.3 | -178.6 | 74.4 | 0 | 0 | 108.4 | ||||
| 8 | E | 52.2 | Low | 48.2 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -114.2 | 143 | 147.8 | -74.8 | -174.3 | 87.1 | 0 | 0 | 106.3 | ||||
| 9 | F | 46.3 | Very low | 48.4 | Very low | 202 Ų | 202 | 146.5 Ų | 146.5 | 89% | 0.886 | 82% | 0.822 | S | S | * | * | trans | 167.9 | 158.3 | 130.7 | -80.5 | -48.8 | 0 | 0 | 0 | 112 | ||||
| 10 | P | 55.6 | Low | 48.1 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -102.6 | 178 | -153.9 | 41.1 | -34.6 | 0 | 0 | 0 | 113.7 | ||||
| 11 | G | 39.1 | Very low | 48.3 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 124.3 | 147 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 12 | V | 48.3 | Very low | 47.6 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | cis | -166.9 | 149.1 | 10.3 | 128.5 | 0 | 0 | 0 | 0 | 105 | ||||
| 13 | C | 44.4 | Very low | 47.8 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -53 | 135.5 | 170.2 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 14 | K | 42.8 | Very low | 48.1 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -135.3 | 97.1 | 150.8 | -79.7 | -168.5 | 166.8 | 178.9 | 0 | 109.6 | E16 | K14-E16 PolarHBondContact O-N 2.85Š| ||
| 15 | T | 44 | Very low | 48 | Very low | 120 Ų | 120 | 141 Ų | 141 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -57.1 | 116.6 | 154.3 | -49.4 | 0 | 0 | 0 | 0 | 107.4 | V17 | T15-V17 VanDerWaalsContact C-N 3.32Å; T15-V17 HydrophobicContact CG2-CG2 3.83Å; T15-V17 PolarHBondContact O-N 3.49Å; T15-V17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | E | 49.4 | Very low | 47.7 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -78.4 | 91.5 | 167 | -57.6 | -172.8 | 127.6 | 0 | 0 | 106.5 | K14 D18 | K14-E16 PolarHBondContact O-N 2.85Å; E16-D18 PolarHBondContact O-N 2.87Å | ||
| 17 | V | 47.8 | Very low | 48.5 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | -79.6 | 105.4 | 162.3 | 179.8 | 0 | 0 | 0 | 0 | 105.3 | T15 E19 | T15-V17 VanDerWaalsContact C-N 3.32Å; T15-V17 HydrophobicContact CG2-CG2 3.83Å; T15-V17 PolarHBondContact O-N 3.49Å; T15-V17 VanDerWaalsContact O-N 3.11Å; V17-E19 VanDerWaalsContact C-N 3.29Å; V17-E19 HydrophobicContact CG1-CG 4.43Å; V17-E19 PolarHBondContact O-N 2.96Å | ||
| 18 | D | 47.8 | Very low | 49.7 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | -69.2 | 91.4 | 168.2 | -168.6 | -119.9 | 0 | 0 | 0 | 108 | E16 G20 | E16-D18 PolarHBondContact O-N 2.87Å; D18-G20 PolarHBondContact O-N 3.06Å; D18-G20 VanDerWaalsContact O-N 3.12Å | ||
| 19 | E | 51.9 | Low | 51.4 | Low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -68.9 | 89.8 | 165.9 | -83.7 | -100 | 104.9 | 0 | 0 | 108.9 | V17 | V17-E19 VanDerWaalsContact C-N 3.29Å; V17-E19 HydrophobicContact CG1-CG 4.43Å; V17-E19 PolarHBondContact O-N 2.96Å | ||
| 20 | G | 41.5 | Very low | 53.5 | Low | 49 Ų | 49 | 122.7 Ų | 122.7 | 51% | 0.505 | 70% | 0.701 | S | S | . | * | trans | -84.4 | 124.9 | 160 | 0 | 0 | 0 | 0 | 0 | 110.1 | D18 S22 | D18-G20 PolarHBondContact O-N 3.06Å; D18-G20 VanDerWaalsContact O-N 3.12Å; G20-S22 PolarHBondContact O-N 2.87Å | ||
| 21 | P | 51.7 | Low | 55.3 | Low | 124 Ų | 124 | 120.9 Ų | 120.9 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | trans | -75.8 | 92.2 | 174.8 | 31.3 | -31.2 | 0 | 0 | 0 | 108.6 | T23 | P21-T23 VanDerWaalsContact C-N 3.31Å; P21-T23 PolarHBondContact O-N 3.07Å | ||
| 22 | S | 36.7 | Very low | 57.9 | Low | 113 Ų | 113 | 117.6 Ų | 117.6 | 79% | 0.79 | 65% | 0.647 | S | S | * | * | trans | -80.6 | 85.6 | 171.2 | 62.2 | 0 | 0 | 0 | 0 | 109.4 | G20 E24 | G20-S22 PolarHBondContact O-N 2.87Å; S22-E24 PolarHBondContact O-N 3.01Å | ||
| 23 | T | 46.6 | Very low | 60.1 | Low | 110 Ų | 110 | 112.8 Ų | 112.8 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | trans | 30.2 | 91.6 | 153 | -44.9 | 0 | 0 | 0 | 0 | 115.6 | P21 E25 | P21-T23 VanDerWaalsContact C-N 3.31Å; P21-T23 PolarHBondContact O-N 3.07Å; T23-E25 HydrophobicContact CG2-CB 4.49Å; T23-E25 HydrophobicContact CG2-CG 4.08Å; T23-E25 PolarHBondContact O-N 3.43Å | ||
| 24 | E | 54.4 | Low | 62.5 | Low | 196 Ų | 196 | 107.5 Ų | 107.5 | 92% | 0.916 | 58% | 0.584 | S | S | * | * | trans | -57.3 | 76.6 | 154 | 55.3 | -164.1 | 113.6 | 0 | 0 | 111.6 | S22 | S22-E24 PolarHBondContact O-N 3.01Š| ||
| 25 | E | 51.6 | Low | 65 | Low | 153 Ų | 153 | 100.9 Ų | 100.9 | 72% | 0.715 | 56% | 0.56 | S | S | * | * | trans | -102.9 | 98.5 | 153.7 | -84 | -164.5 | 96.6 | 0 | 0 | 107.1 | T23 T27 | T23-E25 HydrophobicContact CG2-CB 4.49Å; T23-E25 HydrophobicContact CG2-CG 4.08Å; T23-E25 PolarHBondContact O-N 3.43Å; E25-T27 PolarHBondContact O-N 2.89Å; E25-T27 PolarHBondContact O-OG1 2.97Å | ||
| 26 | D | 51.2 | Low | 67.5 | Low | 158 Ų | 158 | 95.2 Ų | 95.2 | 85% | 0.845 | 53% | 0.526 | S | S | * | . | trans | -61.6 | 72.8 | 168.2 | -170.2 | -111.6 | 0 | 0 | 0 | 109.4 | Q28 | D26-Q28 PolarHBondContact O-N 3.5Š| ||
| 27 | T | 62.1 | Low | 69.7 | Low | 59 Ų | 59 | 90.4 Ų | 90.4 | 36% | 0.362 | 50% | 0.502 | S | S | . | . | trans | -82 | 96.4 | 171.6 | -55.2 | 0 | 0 | 0 | 0 | 105.3 | E25 S29 K90 | E25-T27 PolarHBondContact O-N 2.89Å; E25-T27 PolarHBondContact O-OG1 2.97Å; T27-S29 PolarHBondContact O-N 3.19Å; T27-S29 PolarHBondContact O-OG 3.4Å; T27-K90 HydrophobicContact CG2-CB 4.11Å; T27-K90 HydrophobicContact CG2-CD 3.76Å | ||
| 28 | Q | 78.4 | Confident | 71.9 | Confident | 133 Ų | 133 | 90 Ų | 90 | 62% | 0.621 | 49% | 0.489 | S | S | * | . | trans | -40.9 | 102 | 179.7 | -149.8 | 175.5 | 9.2 | 0 | 0 | 111.1 | D26 F30 | D26-Q28 PolarHBondContact O-N 3.5Å; Q28-F30 HydrophobicContact CB-CE2 4.11Å; Q28-F30 HydrophobicContact CB-CZ 4.34Å; Q28-F30 VanDerWaalsContact CD-CZ 3.47Å; Q28-F30 HydrophobicContact CG-CE1 4.31Å; Q28-F30 HydrophobicContact CG-CE2 3.85Å; Q28-F30 HydrophobicContact CG-CZ 3.59Å | ||
| 29 | S | 87 | Confident | 74.2 | Confident | 62 Ų | 62 | 83.6 Ų | 83.6 | 43% | 0.434 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.8 | -174.6 | -64.6 | 0 | 0 | 0 | 0 | 107.6 | T27 Q99 | T27-S29 PolarHBondContact O-N 3.19Å; T27-S29 PolarHBondContact O-OG 3.4Å; S29-Q99 PolarHBondContact OG-NE2 3.37Å |
| 30 | F | 91 | Very high | 76.2 | Confident | 29 Ų | 29 | 78.2 Ų | 78.2 | 13% | 0.127 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 151 | -178.2 | -62.6 | -84.3 | 0 | 0 | 0 | 110.1 | Q28 E54 T88 F89 | Q28-F30 HydrophobicContact CB-CE2 4.11Å; Q28-F30 HydrophobicContact CB-CZ 4.34Å; Q28-F30 VanDerWaalsContact CD-CZ 3.47Å; Q28-F30 HydrophobicContact CG-CE1 4.31Å; Q28-F30 HydrophobicContact CG-CE2 3.85Å; Q28-F30 HydrophobicContact CG-CZ 3.59Å; F30-E54 WeakPolarHBondContact CD1-OE1 3.27Å; F30-T88 CarbonylContact O-C 3.57Å; F30-T88 VanDerWaalsContact O-CA 3.24Å; F30-T88 WeakPolarHBondContact O-CA 3.25Å; F30-F89 HydrophobicContact CB-CD1 4.12Å; F30-F89 HydrophobicContact CB-CD2 4.21Å; F30-F89 HydrophobicContact CB-CE1 3.6Å; F30-F89 HydrophobicContact CB-CE2 3.7Å; F30-F89 HydrophobicContact CB-CG 4.41Å; F30-F89 HydrophobicContact CB-CZ 3.38Å; F30-F89 HydrophobicContact CD2-CE2 4.13Å; F30-F89 HydrophobicContact CG-CE2 4.17Å; F30-F89 HydrophobicContact CG-CZ 4.14Å; F30-F89 PolarHBondContact N-O 3.16Å; F30-F89 WeakPolarHBondContact O-CD1 3.39Å; F30-F89 PolarHBondContact O-N 2.94Å |
| 31 | H | 93.3 | Very high | 78.6 | Confident | 86 Ų | 86 | 77.3 Ų | 77.3 | 40% | 0.398 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 139.6 | 172.6 | -174.5 | 73.2 | 0 | 0 | 0 | 110.8 | E54 F87 | H31-E54 PolarHBondContact O-N 3.19Å; H31-F87 PolarHBondContact ND1-O 3.24Å |
| 32 | G | 93.6 | Very high | 80.3 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | N52 F87 | G32-N52 CarbonylContact C-O 3.49Å; G32-N52 VanDerWaalsContact CA-O 3.27Å; G32-N52 WeakPolarHBondContact CA-O 3.28Å; G32-F87 PolarHBondContact N-O 2.83Å; G32-F87 PolarHBondContact O-N 2.95Å; G32-F87 VanDerWaalsContact O-O 3.04Å |
| 33 | S | 95.3 | Very high | 82.9 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 23% | 0.231 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153 | 171.5 | 67.1 | 0 | 0 | 0 | 0 | 109.4 | T51 N52 V85 | S33-T51 PolarHBondContact O-N 2.72Å; S33-T51 PolarHBondContact O-OG1 3.18Å; S33-N52 PolarHBondContact N-O 3.47Å; S33-N52 PolarHBondContact O-N 2.78Å; S33-N52 WeakPolarHBondContact OG-CB 3.47Å; S33-N52 PolarHBondContact OG-ND2 3.27Å; S33-V85 WeakPolarHBondContact CA-O 3.24Å |
| 34 | G | 94.9 | Very high | 85.1 | Confident | 6 Ų | 6 | 77.6 Ų | 77.6 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -155 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S49 V85 | G34-S49 CarbonylContact C-O 3.48Å; G34-S49 VanDerWaalsContact CA-O 3.23Å; G34-S49 WeakPolarHBondContact CA-O 3.44Å; G34-V85 PolarHBondContact N-O 3.16Å; G34-V85 PolarHBondContact O-N 3.16Å |
| 35 | V | 95.5 | Very high | 87.1 | Confident | 56 Ų | 56 | 71 Ų | 71 | 34% | 0.339 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150 | -179.4 | -65 | 0 | 0 | 0 | 0 | 111 | K37 L48 S49 E83 | V35-K37 PolarHBondContact O-N 2.94Å; V35-L48 CarbonylContact O-C 3.58Å; V35-L48 WeakPolarHBondContact O-CA 3.35Å; V35-S49 PolarHBondContact N-O 2.86Å; V35-S49 PolarHBondContact O-N 3.3Å; V35-E83 CarbonylContact C-O 3.58Å; V35-E83 VanDerWaalsContact CA-O 3.25Å; V35-E83 WeakPolarHBondContact CA-O 3.2Å |
| 36 | C | 95.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 117.2 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | L48 L79 K80 G82 E83 | C36-L48 HydrophobicContact CB-CD2 3.96Å; C36-L79 HydrophobicContact CB-CB 4.18Å; C36-L79 HydrophobicContact CB-CD1 4.27Å; C36-K80 VanDerWaalsContact CB-O 3.25Å; C36-K80 WeakPolarHBondContact CB-O 3.38Å; C36-G82 PolarHBondContact O-N 3.33Å; C36-E83 HydrophobicContact CB-CB 4.49Å; C36-E83 PolarHBondContact N-O 3.43Å |
| 37 | K | 95.3 | Very high | 91.3 | Very high | 90 Ų | 90 | 59 Ų | 59 | 39% | 0.391 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -48.5 | 178.7 | -169.1 | -180 | -173.4 | 160.8 | 0 | 110.8 | V35 F47 D63 E81 | V35-K37 PolarHBondContact O-N 2.94Å; K37-F47 WeakPolarHBondContact CB-O 3.43Å; K37-F47 PolarHBondContact N-O 2.87Å; K37-D63 VanDerWaalsContact CD-OD1 3.31Å; K37-D63 WeakPolarHBondContact CD-OD1 3.32Å; K37-D63 IonicContact NZ-OD1 2.77Å; K37-D63 PolarHBondContact NZ-OD1 2.85Å; K37-D63 IonicContact NZ-OD2 2.72Å; K37-D63 PolarHBondContact NZ-OD2 2.89Å; K37-E81 WeakPolarHBondContact O-CG 3.26Å |
| 38 | W | 94.6 | Very high | 92.9 | Very high | 98 Ų | 98 | 56.2 Ų | 56.2 | 37% | 0.371 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 153.1 | 172.1 | 58.1 | -95.5 | 0 | 0 | 0 | 109.9 | N40 F45 G46 F47 | W38-N40 HydrophobicContact CZ3-CB 4.27Å; W38-F45 HydrophobicContact CH2-CD2 4.07Å; W38-F45 AromaticContact CH2-CE2 3.83Å; W38-F45 HydrophobicContact CH2-CE2 3.83Å; W38-F45 HydrophobicContact CZ3-CD2 4.06Å; W38-F45 AromaticContact CZ3-CE2 3.99Å; W38-F45 HydrophobicContact CZ3-CE2 3.99Å; W38-G46 CarbonylContact O-C 3.59Å; W38-G46 WeakPolarHBondContact O-CA 3.45Å; W38-F47 HydrophobicContact CD2-CD2 4.47Å; W38-F47 AromaticContact CE2-CD2 3.55Å; W38-F47 AromaticContact CH2-CD2 3.61Å; W38-F47 HydrophobicContact CH2-CD2 3.61Å; W38-F47 AromaticContact CH2-CE2 3.81Å; W38-F47 HydrophobicContact CH2-CE2 3.81Å; W38-F47 AromaticContact CZ2-CD2 3.09Å; W38-F47 HydrophobicContact CZ2-CD2 3.09Å; W38-F47 AromaticContact CZ2-CE2 3.47Å; W38-F47 HydrophobicContact CZ2-CE2 3.47Å; W38-F47 VanDerWaalsContact CZ2-CE2 3.47Å; W38-F47 HydrophobicContact CZ2-CG 4.19Å; W38-F47 HydrophobicContact CZ3-CD2 4.47Å; W38-F47 PolarHBondContact N-O 2.85Å; W38-F47 AromaticContact NE1-CD2 3.96Å; W38-F47 PolarHBondContact O-N 3.48Å |
| 39 | F | 95.6 | Very high | 93.8 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 11% | 0.114 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 123.2 | 176.4 | -170.7 | -92.4 | 0 | 0 | 0 | 111.1 | V41 V66 Q68 L71 L79 | F39-V41 HydrophobicContact CD1-CG2 4.03Å; F39-V41 PolarHBondContact O-N 2.77Å; F39-V66 HydrophobicContact CD2-CG1 4.39Å; F39-Q68 HydrophobicContact CZ-CB 4.12Å; F39-L71 HydrophobicContact CE2-CD1 3.98Å; F39-L71 HydrophobicContact CZ-CD1 4.02Å; F39-L79 HydrophobicContact CB-CB 4.03Å; F39-L79 HydrophobicContact CD2-CB 4.15Å; F39-L79 HydrophobicContact CD2-CD1 4.35Å; F39-L79 HydrophobicContact CD2-CG 4.49Å; F39-L79 HydrophobicContact CG-CB 4.06Å |
| 40 | N | 93.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 48 Ų | 48 | 33% | 0.326 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 98.4 | 174.7 | -170 | -35.8 | 0 | 0 | 0 | 109.8 | W38 R42 M43 G44 F45 | W38-N40 HydrophobicContact CZ3-CB 4.27Å; N40-R42 PolarHBondContact O-N 2.91Å; N40-R42 WeakPolarHBondContact OD1-CB 3.36Å; N40-R42 PolarHBondContact OD1-N 3.11Å; N40-M43 HydrophobicContact CB-CB 4.27Å; N40-M43 PolarHBondContact O-N 2.94Å; N40-M43 PolarHBondContact OD1-N 2.83Å; N40-M43 VanDerWaalsContact OD1-N 3.08Å; N40-G44 PolarHBondContact O-N 2.76Å; N40-F45 PolarHBondContact N-O 3.46Å |
| 41 | V | 91.2 | Very high | 94.3 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31.4 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 113.5 | F39 F76 S112 | F39-V41 HydrophobicContact CD1-CG2 4.03Å; F39-V41 PolarHBondContact O-N 2.77Å; V41-F76 HydrophobicContact CG1-CE1 3.3Å; V41-F76 HydrophobicContact CG1-CZ 3.36Å; V41-S112 VanDerWaalsContact CG2-OG 3.28Å; V41-S112 WeakPolarHBondContact CG2-OG 3.26Å |
| 42 | R | 88.4 | Confident | 94.3 | Very high | 238 Ų | 238 | 47.5 Ų | 47.5 | 90% | 0.898 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -38.3 | -179.6 | -179.6 | 177.1 | 174.7 | 172 | -2.9 | 111.8 | N40 | N40-R42 PolarHBondContact O-N 2.91Å; N40-R42 WeakPolarHBondContact OD1-CB 3.36Å; N40-R42 PolarHBondContact OD1-N 3.11Å |
| 43 | M | 91.9 | Very high | 94.1 | Very high | 116 Ų | 116 | 52.1 Ų | 52.1 | 57% | 0.571 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -17.1 | -179.5 | -57.5 | -164.2 | 81.2 | 0 | 0 | 113.2 | N40 F45 | N40-M43 HydrophobicContact CB-CB 4.27Å; N40-M43 PolarHBondContact O-N 2.94Å; N40-M43 PolarHBondContact OD1-N 2.83Å; N40-M43 VanDerWaalsContact OD1-N 3.08Å; M43-F45 HydrophobicContact CB-CD1 3.54Å; M43-F45 HydrophobicContact CB-CE1 3.25Å; M43-F45 HydrophobicContact CB-CG 4.49Å; M43-F45 HydrophobicContact CB-CZ 3.98Å; M43-F45 HydrophobicContact CE-CE1 3.72Å; M43-F45 HydrophobicContact CE-CZ 4.13Å; M43-F45 HydrophobicContact CG-CE1 3.99Å; M43-F45 HydrophobicContact CG-CZ 4.4Å; M43-F45 HydrophobicContact SD-CE1 3.57Å; M43-F45 VanDerWaalsContact SD-CE1 3.57Å; M43-F45 HydrophobicContact SD-CZ 3.57Å; M43-F45 VanDerWaalsContact SD-CZ 3.57Å |
| 44 | G | 93.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 26.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N40 Q68 | N40-G44 PolarHBondContact O-N 2.76Å; G44-Q68 VanDerWaalsContact O-CB 3.26Å; G44-Q68 WeakPolarHBondContact O-CB 3.37Å; G44-Q68 WeakPolarHBondContact O-CG 3.49Å; G44-Q68 PolarHBondContact O-N 2.74Å |
| 45 | F | 94.8 | Very high | 93.1 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 25% | 0.25 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 162.1 | 175.1 | 67 | -102.6 | 0 | 0 | 0 | 111.5 | W38 N40 M43 F65 V66 | W38-F45 HydrophobicContact CH2-CD2 4.07Å; W38-F45 AromaticContact CH2-CE2 3.83Å; W38-F45 HydrophobicContact CH2-CE2 3.83Å; W38-F45 HydrophobicContact CZ3-CD2 4.06Å; W38-F45 AromaticContact CZ3-CE2 3.99Å; W38-F45 HydrophobicContact CZ3-CE2 3.99Å; N40-F45 PolarHBondContact N-O 3.46Å; M43-F45 HydrophobicContact CB-CD1 3.54Å; M43-F45 HydrophobicContact CB-CE1 3.25Å; M43-F45 HydrophobicContact CB-CG 4.49Å; M43-F45 HydrophobicContact CB-CZ 3.98Å; M43-F45 HydrophobicContact CE-CE1 3.72Å; M43-F45 HydrophobicContact CE-CZ 4.13Å; M43-F45 HydrophobicContact CG-CE1 3.99Å; M43-F45 HydrophobicContact CG-CZ 4.4Å; M43-F45 HydrophobicContact SD-CE1 3.57Å; M43-F45 VanDerWaalsContact SD-CE1 3.57Å; M43-F45 HydrophobicContact SD-CZ 3.57Å; M43-F45 VanDerWaalsContact SD-CZ 3.57Å; F45-F65 HydrophobicContact CB-CE2 3.95Å; F45-F65 HydrophobicContact CB-CZ 3.99Å; F45-F65 HydrophobicContact CD2-CE2 4.17Å; F45-F65 HydrophobicContact CG-CE2 4.27Å; F45-V66 CarbonylContact C-O 3.58Å; F45-V66 VanDerWaalsContact CA-O 3.27Å; F45-V66 WeakPolarHBondContact CA-O 3.41Å; F45-V66 WeakPolarHBondContact CB-O 3.49Å |
| 46 | G | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | -167.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W38 V66 | W38-G46 CarbonylContact O-C 3.59Å; W38-G46 WeakPolarHBondContact O-CA 3.45Å; G46-V66 VanDerWaalsContact C-CG1 3.4Å; G46-V66 PolarHBondContact N-O 3.39Å; G46-V66 WeakPolarHBondContact O-CG1 3.19Å; G46-V66 PolarHBondContact O-N 3.22Å |
| 47 | F | 96.6 | Very high | 92.4 | Very high | 59 Ų | 59 | 65.7 Ų | 65.7 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.3 | 173.2 | -75.1 | -100.7 | 0 | 0 | 0 | 110.7 | K37 W38 D63 V64 F65 | K37-F47 WeakPolarHBondContact CB-O 3.43Å; K37-F47 PolarHBondContact N-O 2.87Å; W38-F47 HydrophobicContact CD2-CD2 4.47Å; W38-F47 AromaticContact CE2-CD2 3.55Å; W38-F47 AromaticContact CH2-CD2 3.61Å; W38-F47 HydrophobicContact CH2-CD2 3.61Å; W38-F47 AromaticContact CH2-CE2 3.81Å; W38-F47 HydrophobicContact CH2-CE2 3.81Å; W38-F47 AromaticContact CZ2-CD2 3.09Å; W38-F47 HydrophobicContact CZ2-CD2 3.09Å; W38-F47 AromaticContact CZ2-CE2 3.47Å; W38-F47 HydrophobicContact CZ2-CE2 3.47Å; W38-F47 VanDerWaalsContact CZ2-CE2 3.47Å; W38-F47 HydrophobicContact CZ2-CG 4.19Å; W38-F47 HydrophobicContact CZ3-CD2 4.47Å; W38-F47 PolarHBondContact N-O 2.85Å; W38-F47 AromaticContact NE1-CD2 3.96Å; W38-F47 PolarHBondContact O-N 3.48Å; F47-D63 HydrophobicContact CD1-CB 4.07Å; F47-V64 CarbonylContact C-O 3.48Å; F47-V64 WeakPolarHBondContact CA-O 3.42Å; F47-F65 HydrophobicContact CD1-CB 4.48Å; F47-F65 HydrophobicContact CE1-CB 4.11Å; F47-F65 HydrophobicContact CE1-CD2 4.33Å; F47-F65 HydrophobicContact CE2-CD2 4.07Å; F47-F65 AromaticContact CZ-CD2 3.92Å; F47-F65 HydrophobicContact CZ-CD2 3.92Å |
| 48 | L | 96 | Very high | 92 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 140.9 | 171.6 | -51 | 179.2 | 0 | 0 | 0 | 108.2 | V35 C36 D63 V64 V66 L79 V85 F87 V101 | V35-L48 CarbonylContact O-C 3.58Å; V35-L48 WeakPolarHBondContact O-CA 3.35Å; C36-L48 HydrophobicContact CB-CD2 3.96Å; L48-D63 CarbonylContact O-C 3.57Å; L48-D63 WeakPolarHBondContact O-CA 3.48Å; L48-V64 HydrophobicContact CB-CB 4.37Å; L48-V64 PolarHBondContact N-O 2.92Å; L48-V64 PolarHBondContact O-N 2.85Å; L48-V66 HydrophobicContact CD1-CB 4.2Å; L48-V66 HydrophobicContact CD1-CG1 4.49Å; L48-V66 HydrophobicContact CD2-CB 4.44Å; L48-V66 HydrophobicContact CD2-CG1 3.86Å; L48-V66 HydrophobicContact CG-CB 4.03Å; L48-V66 HydrophobicContact CG-CG1 3.83Å; L48-L79 HydrophobicContact CD2-CD1 3.61Å; L48-V85 HydrophobicContact CD1-CG2 4.11Å; L48-V85 HydrophobicContact CD2-CG2 4.02Å; L48-F87 HydrophobicContact CB-CE1 4.12Å; L48-F87 HydrophobicContact CB-CZ 4.33Å; L48-F87 HydrophobicContact CD1-CB 4.4Å; L48-F87 HydrophobicContact CD1-CD1 3.51Å; L48-F87 HydrophobicContact CD1-CD2 4.39Å; L48-F87 HydrophobicContact CD1-CE1 3.77Å; L48-F87 HydrophobicContact CD1-CG 3.84Å; L48-F87 HydrophobicContact CD1-CZ 4.32Å; L48-V101 HydrophobicContact CD1-CG1 4.14Å; L48-V101 HydrophobicContact CD1-CG2 4Å |
| 49 | S | 95.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 68.1 Ų | 68.1 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 104 | 171.3 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | G34 V35 T51 P61 | G34-S49 CarbonylContact C-O 3.48Å; G34-S49 VanDerWaalsContact CA-O 3.23Å; G34-S49 WeakPolarHBondContact CA-O 3.44Å; V35-S49 PolarHBondContact N-O 2.86Å; V35-S49 PolarHBondContact O-N 3.3Å; S49-T51 PolarHBondContact O-N 2.77Å; S49-P61 WeakPolarHBondContact OG-CB 3.38Å |
| 50 | M | 95.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.02 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120.1 | -179.7 | -173.9 | 172.3 | 53.9 | 0 | 0 | 109.8 | N52 R53 L58 P61 V62 V64 F87 F89 L96 | M50-N52 WeakPolarHBondContact CG-O 3.49Å; M50-R53 HydrophobicContact CE-CB 4.41Å; M50-R53 HydrophobicContact SD-CB 4.13Å; M50-L58 HydrophobicContact CE-CD1 3.79Å; M50-L58 HydrophobicContact CG-CD1 3.97Å; M50-L58 HydrophobicContact SD-CD1 4.35Å; M50-P61 WeakPolarHBondContact O-CA 3.09Å; M50-V62 HydrophobicContact CB-CB 4.49Å; M50-V62 WeakPolarHBondContact CB-O 3.23Å; M50-V62 HydrophobicContact CE-CB 3.83Å; M50-V62 HydrophobicContact CE-CG1 4.37Å; M50-V62 HydrophobicContact CE-CG2 4.24Å; M50-V62 PolarHBondContact N-O 2.91Å; M50-V62 PolarHBondContact O-N 2.83Å; M50-V64 HydrophobicContact CB-CG2 4.11Å; M50-V64 HydrophobicContact CE-CG2 4.47Å; M50-F87 HydrophobicContact CB-CZ 3.87Å; M50-F87 HydrophobicContact CG-CE2 4.43Å; M50-F87 HydrophobicContact CG-CZ 3.92Å; M50-F87 HydrophobicContact SD-CE2 4.24Å; M50-F87 HydrophobicContact SD-CZ 4.34Å; M50-F89 HydrophobicContact CE-CE1 4.28Å; M50-F89 HydrophobicContact CE-CZ 3.95Å; M50-F89 HydrophobicContact SD-CD1 4.17Å; M50-F89 HydrophobicContact SD-CE1 3.41Å; M50-F89 WeakPolarHBondContact SD-CE1 3.33Å; M50-F89 HydrophobicContact SD-CZ 3.7Å; M50-L96 HydrophobicContact CE-CD1 4.26Å |
| 51 | T | 94.3 | Very high | 91.1 | Very high | 54 Ų | 54 | 74.4 Ų | 74.4 | 33% | 0.331 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -27.2 | 178.2 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | S33 S49 L58 | S33-T51 PolarHBondContact O-N 2.72Å; S33-T51 PolarHBondContact O-OG1 3.18Å; S49-T51 PolarHBondContact O-N 2.77Å; T51-L58 PolarHBondContact O-N 3.46Å |
| 52 | N | 92.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 75.4 Ų | 75.4 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.3 | 174 | -45.3 | -86 | 0 | 0 | 0 | 110.5 | G32 S33 M50 V56 P57 | G32-N52 CarbonylContact C-O 3.49Å; G32-N52 VanDerWaalsContact CA-O 3.27Å; G32-N52 WeakPolarHBondContact CA-O 3.28Å; S33-N52 PolarHBondContact N-O 3.47Å; S33-N52 PolarHBondContact O-N 2.78Å; S33-N52 WeakPolarHBondContact OG-CB 3.47Å; S33-N52 PolarHBondContact OG-ND2 3.27Å; M50-N52 WeakPolarHBondContact CG-O 3.49Å; N52-V56 CarbonylContact C-O 3.55Å; N52-V56 VanDerWaalsContact CA-O 3.28Å; N52-V56 WeakPolarHBondContact CA-O 3.25Å; N52-P57 WeakPolarHBondContact OD1-CA 3.32Å |
| 53 | R | 90.7 | Very high | 91.5 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 36% | 0.362 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.4 | 174 | 178.3 | 179.9 | -177.8 | -170.3 | 0.3 | 108.9 | M50 G55 V56 L58 F89 | M50-R53 HydrophobicContact CE-CB 4.41Å; M50-R53 HydrophobicContact SD-CB 4.13Å; R53-G55 PolarHBondContact O-N 3.16Å; R53-V56 PolarHBondContact N-O 3.02Å; R53-V56 WeakPolarHBondContact O-CB 3.44Å; R53-V56 PolarHBondContact O-N 2.71Å; R53-L58 HydrophobicContact CB-CD1 3.91Å; R53-L58 HydrophobicContact CB-CG 4.34Å; R53-F89 HydrophobicContact CG-CZ 4.24Å |
| 54 | E | 86.3 | Confident | 91.7 | Very high | 121 Ų | 121 | 61.8 Ų | 61.8 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 33.6 | 179.5 | -59.5 | -175.7 | 143.9 | 0 | 0 | 113.6 | F30 H31 V56 | F30-E54 WeakPolarHBondContact CD1-OE1 3.27Å; H31-E54 PolarHBondContact O-N 3.19Å; E54-V56 VanDerWaalsContact C-N 3.32Å |
| 55 | G | 81 | Confident | 91.8 | Very high | 69 Ų | 69 | 65 Ų | 65 | 71% | 0.711 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -1.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R53 | R53-G55 PolarHBondContact O-N 3.16Š|
| 56 | V | 88.4 | Confident | 91.8 | Very high | 96 Ų | 96 | 62.2 Ų | 62.2 | 58% | 0.582 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.8 | 174.6 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | N52 R53 E54 | N52-V56 CarbonylContact C-O 3.55Å; N52-V56 VanDerWaalsContact CA-O 3.28Å; N52-V56 WeakPolarHBondContact CA-O 3.25Å; R53-V56 PolarHBondContact N-O 3.02Å; R53-V56 WeakPolarHBondContact O-CB 3.44Å; R53-V56 PolarHBondContact O-N 2.71Å; E54-V56 VanDerWaalsContact C-N 3.32Å |
| 57 | P | 88.9 | Confident | 91.9 | Very high | 95 Ų | 95 | 65.4 Ų | 65.4 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 138.6 | 174 | 27.7 | -32.4 | 0 | 0 | 0 | 110.3 | N52 | N52-P57 WeakPolarHBondContact OD1-CA 3.32Å |
| 58 | L | 87.3 | Confident | 91.7 | Very high | 60 Ų | 60 | 66 Ų | 66 | 31% | 0.314 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.3 | 176.5 | -69.7 | 151.4 | 0 | 0 | 0 | 109.4 | M50 T51 R53 E60 V62 | M50-L58 HydrophobicContact CE-CD1 3.79Å; M50-L58 HydrophobicContact CG-CD1 3.97Å; M50-L58 HydrophobicContact SD-CD1 4.35Å; T51-L58 PolarHBondContact O-N 3.46Å; R53-L58 HydrophobicContact CB-CD1 3.91Å; R53-L58 HydrophobicContact CB-CG 4.34Å; L58-E60 VanDerWaalsContact C-N 3.28Å; L58-E60 PolarHBondContact O-N 2.8Å; L58-V62 HydrophobicContact CD1-CG2 4.43Å |
| 59 | D | 85.4 | Confident | 91.6 | Very high | 180 Ų | 180 | 69.4 Ų | 69.4 | 96% | 0.963 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | -33.1 | 172.8 | -73.9 | -45.7 | 0 | 0 | 0 | 112 | ||
| 60 | E | 89.7 | Confident | 91.6 | Very high | 149 Ų | 149 | 72.4 Ų | 72.4 | 70% | 0.696 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.8 | 177.4 | -166.5 | 176.6 | 114.3 | 0 | 0 | 111 | L58 V62 | L58-E60 VanDerWaalsContact C-N 3.28Å; L58-E60 PolarHBondContact O-N 2.8Å; E60-V62 PolarHBondContact O-N 2.93Å |
| 61 | P | 90.2 | Very high | 91.5 | Very high | 69 Ų | 69 | 72.3 Ų | 72.3 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 123.9 | 176.5 | 24.2 | -30.8 | 0 | 0 | 0 | 111.1 | S49 M50 | S49-P61 WeakPolarHBondContact OG-CB 3.38Å; M50-P61 WeakPolarHBondContact O-CA 3.09Å |
| 62 | V | 93 | Very high | 91.5 | Very high | 50 Ų | 50 | 73 Ų | 73 | 30% | 0.303 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.6 | -179.3 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | M50 L58 E60 L96 | M50-V62 HydrophobicContact CB-CB 4.49Å; M50-V62 WeakPolarHBondContact CB-O 3.23Å; M50-V62 HydrophobicContact CE-CB 3.83Å; M50-V62 HydrophobicContact CE-CG1 4.37Å; M50-V62 HydrophobicContact CE-CG2 4.24Å; M50-V62 PolarHBondContact N-O 2.91Å; M50-V62 PolarHBondContact O-N 2.83Å; L58-V62 HydrophobicContact CD1-CG2 4.43Å; E60-V62 PolarHBondContact O-N 2.93Å; V62-L96 HydrophobicContact CG1-CD1 3.6Å |
| 63 | D | 94.7 | Very high | 91.4 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 124.3 | 178.4 | -74.5 | -15.3 | 0 | 0 | 0 | 111.4 | K37 F47 L48 | K37-D63 VanDerWaalsContact CD-OD1 3.31Å; K37-D63 WeakPolarHBondContact CD-OD1 3.32Å; K37-D63 IonicContact NZ-OD1 2.77Å; K37-D63 PolarHBondContact NZ-OD1 2.85Å; K37-D63 IonicContact NZ-OD2 2.72Å; K37-D63 PolarHBondContact NZ-OD2 2.89Å; F47-D63 HydrophobicContact CD1-CB 4.07Å; L48-D63 CarbonylContact O-C 3.57Å; L48-D63 WeakPolarHBondContact O-CA 3.48Å |
| 64 | V | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.9 | 178 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | F47 L48 M50 F87 F89 L96 | F47-V64 CarbonylContact C-O 3.48Å; F47-V64 WeakPolarHBondContact CA-O 3.42Å; L48-V64 HydrophobicContact CB-CB 4.37Å; L48-V64 PolarHBondContact N-O 2.92Å; L48-V64 PolarHBondContact O-N 2.85Å; M50-V64 HydrophobicContact CB-CG2 4.11Å; M50-V64 HydrophobicContact CE-CG2 4.47Å; V64-F87 HydrophobicContact CB-CE2 4.15Å; V64-F87 HydrophobicContact CB-CZ 4.47Å; V64-F87 HydrophobicContact CG1-CD2 4.39Å; V64-F87 HydrophobicContact CG1-CE2 4.03Å; V64-F87 HydrophobicContact CG2-CE2 3.9Å; V64-F87 HydrophobicContact CG2-CZ 4.22Å; V64-F89 HydrophobicContact CG1-CB 3.94Å; V64-L96 HydrophobicContact CB-CB 4.44Å; V64-L96 HydrophobicContact CG1-CB 4.26Å; V64-L96 HydrophobicContact CG2-CB 4.05Å; V64-L96 HydrophobicContact CG2-CD1 4.1Å |
| 65 | F | 96.1 | Very high | 91.2 | Very high | 67 Ų | 67 | 72.2 Ų | 72.2 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 132.8 | 178.5 | 177.3 | -104.9 | 0 | 0 | 0 | 110.9 | F45 F47 H67 L96 E97 S98 | F45-F65 HydrophobicContact CB-CE2 3.95Å; F45-F65 HydrophobicContact CB-CZ 3.99Å; F45-F65 HydrophobicContact CD2-CE2 4.17Å; F45-F65 HydrophobicContact CG-CE2 4.27Å; F47-F65 HydrophobicContact CD1-CB 4.48Å; F47-F65 HydrophobicContact CE1-CB 4.11Å; F47-F65 HydrophobicContact CE1-CD2 4.33Å; F47-F65 HydrophobicContact CE2-CD2 4.07Å; F47-F65 AromaticContact CZ-CD2 3.92Å; F47-F65 HydrophobicContact CZ-CD2 3.92Å; F65-H67 HydrophobicContact CE1-CB 4.24Å; F65-L96 WeakPolarHBondContact CB-O 3.08Å; F65-L96 PolarHBondContact N-O 2.83Å; F65-E97 HydrophobicContact CD1-CG 4.17Å; F65-S98 WeakPolarHBondContact O-CB 3.49Å; F65-S98 PolarHBondContact O-N 2.73Å; F65-S98 PolarHBondContact O-OG 2.88Å |
| 66 | V | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 135 | 176.6 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | F39 F45 G46 L48 L71 L79 S98 V101 | F39-V66 HydrophobicContact CD2-CG1 4.39Å; F45-V66 CarbonylContact C-O 3.58Å; F45-V66 VanDerWaalsContact CA-O 3.27Å; F45-V66 WeakPolarHBondContact CA-O 3.41Å; F45-V66 WeakPolarHBondContact CB-O 3.49Å; G46-V66 VanDerWaalsContact C-CG1 3.4Å; G46-V66 PolarHBondContact N-O 3.39Å; G46-V66 WeakPolarHBondContact O-CG1 3.19Å; G46-V66 PolarHBondContact O-N 3.22Å; L48-V66 HydrophobicContact CD1-CB 4.2Å; L48-V66 HydrophobicContact CD1-CG1 4.49Å; L48-V66 HydrophobicContact CD2-CB 4.44Å; L48-V66 HydrophobicContact CD2-CG1 3.86Å; L48-V66 HydrophobicContact CG-CB 4.03Å; L48-V66 HydrophobicContact CG-CG1 3.83Å; V66-L71 HydrophobicContact CG2-CD2 4.37Å; V66-L71 HydrophobicContact CG2-CG 4.48Å; V66-L79 HydrophobicContact CG1-CD1 4.33Å; V66-L79 HydrophobicContact CG2-CD1 4.38Å; V66-S98 WeakPolarHBondContact CA-OG 3.35Å; V66-V101 HydrophobicContact CG2-CG2 3.8Å |
| 67 | H | 95.9 | Very high | 91.7 | Very high | 67 Ų | 67 | 71.6 Ų | 71.6 | 31% | 0.31 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 146.3 | 173.3 | -174.4 | -100.8 | 0 | 0 | 0 | 110.8 | F65 S69 K70 | F65-H67 HydrophobicContact CE1-CB 4.24Å; H67-S69 WeakPolarHBondContact ND1-CB 3.37Å; H67-S69 PolarHBondContact ND1-N 2.87Å; H67-S69 PolarHBondContact ND1-OG 2.75Å; H67-S69 PolarHBondContact O-N 2.82Å; H67-S69 VanDerWaalsContact O-N 3.08Å; H67-K70 HydrophobicContact CB-CG 4.44Å; H67-K70 WeakPolarHBondContact O-CB 3.4Å; H67-K70 PolarHBondContact O-N 2.82Å |
| 68 | Q | 93.9 | Very high | 91.9 | Very high | 72 Ų | 72 | 67.2 Ų | 67.2 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -57 | -30.6 | -175.8 | 65 | 167.3 | 19.5 | 0 | 0 | 113.4 | F39 G44 K70 L71 R77 | F39-Q68 HydrophobicContact CZ-CB 4.12Å; G44-Q68 VanDerWaalsContact O-CB 3.26Å; G44-Q68 WeakPolarHBondContact O-CB 3.37Å; G44-Q68 WeakPolarHBondContact O-CG 3.49Å; G44-Q68 PolarHBondContact O-N 2.74Å; Q68-K70 PolarHBondContact O-N 3.48Å; Q68-L71 PolarHBondContact O-N 3.22Å; Q68-R77 HydrophobicContact CB-CB 4.26Å; Q68-R77 WeakPolarHBondContact O-CB 3.47Å; Q68-R77 WeakPolarHBondContact O-CD 3.06Å |
| 69 | S | 93.9 | Very high | 92.2 | Very high | 71 Ų | 71 | 64.5 Ų | 64.5 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -67.9 | -17.4 | -179.5 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | H67 | H67-S69 WeakPolarHBondContact ND1-CB 3.37Å; H67-S69 PolarHBondContact ND1-N 2.87Å; H67-S69 PolarHBondContact ND1-OG 2.75Å; H67-S69 PolarHBondContact O-N 2.82Å; H67-S69 VanDerWaalsContact O-N 3.08Å |
| 70 | K | 94.6 | Very high | 92.5 | Very high | 81 Ų | 81 | 60.4 Ų | 60.4 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -94.8 | -6.4 | -178.2 | -50.8 | -50.9 | -161.2 | 167.3 | 0 | 112.9 | H67 Q68 Q99 V101 | H67-K70 HydrophobicContact CB-CG 4.44Å; H67-K70 WeakPolarHBondContact O-CB 3.4Å; H67-K70 PolarHBondContact O-N 2.82Å; Q68-K70 PolarHBondContact O-N 3.48Å; K70-Q99 WeakPolarHBondContact CB-O 3.47Å; K70-Q99 WeakPolarHBondContact CD-O 3.28Å; K70-V101 PolarHBondContact O-N 3.23Å |
| 71 | L | 94.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -77.9 | 125.8 | 179.1 | -72.4 | 168.9 | 0 | 0 | 0 | 111.8 | F39 V66 Q68 M73 R77 L79 V101 | F39-L71 HydrophobicContact CE2-CD1 3.98Å; F39-L71 HydrophobicContact CZ-CD1 4.02Å; V66-L71 HydrophobicContact CG2-CD2 4.37Å; V66-L71 HydrophobicContact CG2-CG 4.48Å; Q68-L71 PolarHBondContact O-N 3.22Å; L71-M73 PolarHBondContact O-N 2.93Å; L71-R77 HydrophobicContact CB-CB 4.12Å; L71-R77 HydrophobicContact CD1-CB 4.15Å; L71-R77 PolarHBondContact O-NH1 3.28Å; L71-L79 HydrophobicContact CD1-CG 4.02Å; L71-L79 HydrophobicContact CD2-CD1 3.56Å; L71-L79 HydrophobicContact CD2-CD2 3.56Å; L71-L79 HydrophobicContact CD2-CG 3.41Å; L71-L79 VanDerWaalsContact CD2-CG 3.41Å; L71-L79 HydrophobicContact CG-CG 4.38Å; L71-V101 HydrophobicContact CD2-CB 3.87Å; L71-V101 HydrophobicContact CD2-CG1 3.8Å |
| 72 | H | 92.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | trans | -83.5 | 90 | 174.2 | -163.5 | 61.1 | 0 | 0 | 0 | 110.2 | R100 V101 T102 H108 C109 | H72-R100 PolarHBondContact NE2-NH2 3.08Å; H72-V101 VanDerWaalsContact CB-O 3.23Å; H72-V101 WeakPolarHBondContact CB-O 3.31Å; H72-V101 PolarHBondContact N-O 3.44Å; H72-T102 HydrophobicContact CB-CG2 3.56Å; H72-H108 WeakPolarHBondContact O-CA 3.47Å; H72-C109 PolarHBondContact O-N 3.08Å | ||
| 73 | M | 90.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 58 Ų | 58 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | trans | -152.2 | 157.7 | 178 | -68.8 | -177.4 | 69.5 | 0 | 0 | 109.7 | L71 R77 C109 | L71-M73 PolarHBondContact O-N 2.93Å; M73-R77 PolarHBondContact O-NH1 2.83Å; M73-C109 WeakPolarHBondContact CE-O 3.45Å; M73-C109 HydrophobicContact CG-CB 3.52Å; M73-C109 WeakPolarHBondContact CG-O 3.46Å; M73-C109 HydrophobicContact SD-CB 3.54Å; M73-C109 VanDerWaalsContact SD-CB 3.54Å | ||
| 74 | E | 86.5 | Confident | 92.9 | Very high | 164 Ų | 164 | 57.2 Ų | 57.2 | 77% | 0.766 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -90.2 | 147.7 | 167.3 | -64.2 | -172.9 | 168.4 | 0 | 0 | 111.3 | ||
| 75 | G | 87.4 | Confident | 92.9 | Very high | 66 Ų | 66 | 57.4 Ų | 57.4 | 68% | 0.68 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 74 | -126.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R77 | G75-R77 PolarHBondContact O-N 2.94Š|
| 76 | F | 87.4 | Confident | 92.9 | Very high | 56 Ų | 56 | 57 Ų | 57 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -87 | 104.9 | -173 | -179.2 | -100.6 | 0 | 0 | 0 | 110.6 | V41 S78 R115 P116 | V41-F76 HydrophobicContact CG1-CE1 3.3Å; V41-F76 HydrophobicContact CG1-CZ 3.36Å; F76-S78 PolarHBondContact O-N 2.82Å; F76-R115 HydrophobicContact CD1-CG 4.27Å; F76-P116 HydrophobicContact CE2-CG 4.41Å; F76-P116 HydrophobicContact CZ-CG 4.06Å |
| 77 | R | 91.5 | Very high | 92.9 | Very high | 96 Ų | 96 | 57 Ų | 57 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | trans | -74.5 | 112 | -173.8 | -59.5 | 179.4 | -163.8 | -79.3 | -9.6 | 110.7 | Q68 L71 M73 G75 | Q68-R77 HydrophobicContact CB-CB 4.26Å; Q68-R77 WeakPolarHBondContact O-CB 3.47Å; Q68-R77 WeakPolarHBondContact O-CD 3.06Å; L71-R77 HydrophobicContact CB-CB 4.12Å; L71-R77 HydrophobicContact CD1-CB 4.15Å; L71-R77 PolarHBondContact O-NH1 3.28Å; M73-R77 PolarHBondContact O-NH1 2.83Å; G75-R77 PolarHBondContact O-N 2.94Å | ||
| 78 | S | 93.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | trans | -149.5 | 168.3 | 174.8 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | F76 G111 S112 | F76-S78 PolarHBondContact O-N 2.82Å; S78-G111 WeakPolarHBondContact O-CA 3.43Å; S78-S112 PolarHBondContact OG-N 3.46Å; S78-S112 PolarHBondContact OG-OG 3.11Å | ||
| 79 | L | 93.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | trans | -122.6 | 149 | 172.6 | -74.5 | 172.1 | 0 | 0 | 0 | 110.4 | C36 F39 L48 V66 L71 V85 C109 | C36-L79 HydrophobicContact CB-CB 4.18Å; C36-L79 HydrophobicContact CB-CD1 4.27Å; F39-L79 HydrophobicContact CB-CB 4.03Å; F39-L79 HydrophobicContact CD2-CB 4.15Å; F39-L79 HydrophobicContact CD2-CD1 4.35Å; F39-L79 HydrophobicContact CD2-CG 4.49Å; F39-L79 HydrophobicContact CG-CB 4.06Å; L48-L79 HydrophobicContact CD2-CD1 3.61Å; V66-L79 HydrophobicContact CG1-CD1 4.33Å; V66-L79 HydrophobicContact CG2-CD1 4.38Å; L71-L79 HydrophobicContact CD1-CG 4.02Å; L71-L79 HydrophobicContact CD2-CD1 3.56Å; L71-L79 HydrophobicContact CD2-CD2 3.56Å; L71-L79 HydrophobicContact CD2-CG 3.41Å; L71-L79 VanDerWaalsContact CD2-CG 3.41Å; L71-L79 HydrophobicContact CG-CG 4.38Å; L79-V85 HydrophobicContact CD2-CG1 3.95Å; L79-C109 HydrophobicContact CD2-CB 3.76Å | ||
| 80 | K | 92.8 | Very high | 92.8 | Very high | 93 Ų | 93 | 52.4 Ų | 52.4 | 40% | 0.404 | 28% | 0.281 | S | S | . | . | trans | -89.3 | 139.7 | 168.8 | 179.6 | 174.1 | 175.7 | 169.3 | 0 | 109.5 | C36 G82 E83 E113 | C36-K80 VanDerWaalsContact CB-O 3.25Å; C36-K80 WeakPolarHBondContact CB-O 3.38Å; K80-G82 PolarHBondContact O-N 2.85Å; K80-E83 HydrophobicContact CB-CB 4.22Å; K80-E83 PolarHBondContact N-OE2 2.67Å; K80-E83 WeakPolarHBondContact O-CB 3.34Å; K80-E83 PolarHBondContact O-N 3.29Å; K80-E83 VanDerWaalsContact O-N 3.11Å; K80-E113 IonicContact NZ-OE1 2.77Å; K80-E113 PolarHBondContact NZ-OE1 3.18Å | ||
| 81 | E | 93.6 | Very high | 92.7 | Very high | 147 Ų | 147 | 56.7 Ų | 56.7 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 132.9 | 172.3 | -179 | 175.4 | 173.1 | 0 | 0 | 110.6 | K37 E83 | K37-E81 WeakPolarHBondContact O-CG 3.26Å; E81-E83 VanDerWaalsContact C-N 3.28Å; E81-E83 PolarHBondContact O-N 2.8Å |
| 82 | G | 93.3 | Very high | 92.5 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 4.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C36 K80 | C36-G82 PolarHBondContact O-N 3.33Å; K80-G82 PolarHBondContact O-N 2.85Å |
| 83 | E | 93.8 | Very high | 92.4 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | trans | -69.5 | 130.4 | 175.9 | -173.7 | -179.3 | 155.7 | 0 | 0 | 111.2 | V35 C36 K80 E81 V85 C109 V110 G111 | V35-E83 CarbonylContact C-O 3.58Å; V35-E83 VanDerWaalsContact CA-O 3.25Å; V35-E83 WeakPolarHBondContact CA-O 3.2Å; C36-E83 HydrophobicContact CB-CB 4.49Å; C36-E83 PolarHBondContact N-O 3.43Å; K80-E83 HydrophobicContact CB-CB 4.22Å; K80-E83 PolarHBondContact N-OE2 2.67Å; K80-E83 WeakPolarHBondContact O-CB 3.34Å; K80-E83 PolarHBondContact O-N 3.29Å; K80-E83 VanDerWaalsContact O-N 3.11Å; E81-E83 VanDerWaalsContact C-N 3.28Å; E81-E83 PolarHBondContact O-N 2.8Å; E83-V85 HydrophobicContact CG-CG1 4.39Å; E83-C109 WeakPolarHBondContact OE1-CA 3.45Å; E83-C109 VanDerWaalsContact OE1-CB 3.26Å; E83-C109 WeakPolarHBondContact OE1-CB 2.99Å; E83-V110 HydrophobicContact CG-CB 4.43Å; E83-V110 HydrophobicContact CG-CG2 4.3Å; E83-V110 PolarHBondContact OE1-N 3.19Å; E83-G111 PolarHBondContact OE2-N 3.37Å; E83-G111 VanDerWaalsContact OE2-N 3.16Å | ||
| 84 | A | 94.7 | Very high | 92.2 | Very high | 51 Ų | 51 | 70.7 Ų | 70.7 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 129.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P104 | A84-P104 WeakPolarHBondContact O-CD 3.5Å |
| 85 | V | 95.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.024 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 146.5 | -175.5 | -68 | 0 | 0 | 0 | 0 | 111.4 | S33 G34 L48 L79 E83 F87 V101 T102 | S33-V85 WeakPolarHBondContact CA-O 3.24Å; G34-V85 PolarHBondContact N-O 3.16Å; G34-V85 PolarHBondContact O-N 3.16Å; L48-V85 HydrophobicContact CD1-CG2 4.11Å; L48-V85 HydrophobicContact CD2-CG2 4.02Å; L79-V85 HydrophobicContact CD2-CG1 3.95Å; E83-V85 HydrophobicContact CG-CG1 4.39Å; V85-F87 HydrophobicContact CG2-CD1 3.94Å; V85-F87 HydrophobicContact CG2-CE1 4.12Å; V85-V101 HydrophobicContact CB-CG1 4.05Å; V85-V101 HydrophobicContact CG1-CG1 4.15Å; V85-T102 CarbonylContact C-O 3.51Å; V85-T102 WeakPolarHBondContact CA-O 3.1Å; V85-T102 WeakPolarHBondContact CB-O 3.39Å |
| 86 | E | 95.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 63.4 Ų | 63.4 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.3 | 168.4 | -72.5 | 172.4 | -164.2 | 0 | 0 | 108.2 | T102 P104 G105 | E86-T102 PolarHBondContact N-O 3.4Å; E86-T102 PolarHBondContact O-N 3.23Å; E86-T102 VanDerWaalsContact O-O 3.04Å; E86-T102 PolarHBondContact O-OG1 2.97Å; E86-P104 WeakPolarHBondContact OE1-CA 3.48Å; E86-G105 VanDerWaalsContact CD-N 3.34Å; E86-G105 PolarHBondContact OE1-N 3.33Å; E86-G105 PolarHBondContact OE2-N 2.8Å |
| 87 | F | 95.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 153.7 | -175.6 | 53.5 | -90.6 | 0 | 0 | 0 | 112.7 | H31 G32 L48 M50 V64 V85 F89 R100 V101 | H31-F87 PolarHBondContact ND1-O 3.24Å; G32-F87 PolarHBondContact N-O 2.83Å; G32-F87 PolarHBondContact O-N 2.95Å; G32-F87 VanDerWaalsContact O-O 3.04Å; L48-F87 HydrophobicContact CB-CE1 4.12Å; L48-F87 HydrophobicContact CB-CZ 4.33Å; L48-F87 HydrophobicContact CD1-CB 4.4Å; L48-F87 HydrophobicContact CD1-CD1 3.51Å; L48-F87 HydrophobicContact CD1-CD2 4.39Å; L48-F87 HydrophobicContact CD1-CE1 3.77Å; L48-F87 HydrophobicContact CD1-CG 3.84Å; L48-F87 HydrophobicContact CD1-CZ 4.32Å; M50-F87 HydrophobicContact CB-CZ 3.87Å; M50-F87 HydrophobicContact CG-CE2 4.43Å; M50-F87 HydrophobicContact CG-CZ 3.92Å; M50-F87 HydrophobicContact SD-CE2 4.24Å; M50-F87 HydrophobicContact SD-CZ 4.34Å; V64-F87 HydrophobicContact CB-CE2 4.15Å; V64-F87 HydrophobicContact CB-CZ 4.47Å; V64-F87 HydrophobicContact CG1-CD2 4.39Å; V64-F87 HydrophobicContact CG1-CE2 4.03Å; V64-F87 HydrophobicContact CG2-CE2 3.9Å; V64-F87 HydrophobicContact CG2-CZ 4.22Å; V85-F87 HydrophobicContact CG2-CD1 3.94Å; V85-F87 HydrophobicContact CG2-CE1 4.12Å; F87-F89 HydrophobicContact CD2-CB 4.23Å; F87-F89 AromaticContact CD2-CD1 3.97Å; F87-F89 HydrophobicContact CD2-CD1 3.97Å; F87-F89 HydrophobicContact CE2-CB 4.45Å; F87-F89 AromaticContact CE2-CD1 3.79Å; F87-F89 HydrophobicContact CE2-CD1 3.79Å; F87-F89 HydrophobicContact CE2-CE1 4.48Å; F87-F89 HydrophobicContact CE2-CG 4.41Å; F87-R100 CarbonylContact C-O 3.52Å; F87-R100 WeakPolarHBondContact CA-O 3.35Å; F87-R100 WeakPolarHBondContact CB-O 3.39Å; F87-V101 HydrophobicContact CB-CB 4.24Å; F87-V101 HydrophobicContact CB-CG1 4.35Å; F87-V101 HydrophobicContact CB-CG2 3.82Å |
| 88 | T | 94.7 | Very high | 93.3 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139 | 163.8 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | F30 S98 Q99 R100 | F30-T88 CarbonylContact O-C 3.57Å; F30-T88 VanDerWaalsContact O-CA 3.24Å; F30-T88 WeakPolarHBondContact O-CA 3.25Å; T88-S98 CarbonylContact O-C 3.58Å; T88-S98 WeakPolarHBondContact O-CA 3.39Å; T88-Q99 PolarHBondContact O-N 2.83Å; T88-R100 PolarHBondContact N-O 3.5Å; T88-R100 PolarHBondContact O-N 3.28Å; T88-R100 PolarHBondContact OG1-N 2.88Å |
| 89 | F | 94.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.009 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154.8 | -179.8 | 68 | -86.4 | 0 | 0 | 0 | 111.2 | F30 M50 R53 V64 F87 L96 E97 | F30-F89 HydrophobicContact CB-CD1 4.12Å; F30-F89 HydrophobicContact CB-CD2 4.21Å; F30-F89 HydrophobicContact CB-CE1 3.6Å; F30-F89 HydrophobicContact CB-CE2 3.7Å; F30-F89 HydrophobicContact CB-CG 4.41Å; F30-F89 HydrophobicContact CB-CZ 3.38Å; F30-F89 HydrophobicContact CD2-CE2 4.13Å; F30-F89 HydrophobicContact CG-CE2 4.17Å; F30-F89 HydrophobicContact CG-CZ 4.14Å; F30-F89 PolarHBondContact N-O 3.16Å; F30-F89 WeakPolarHBondContact O-CD1 3.39Å; F30-F89 PolarHBondContact O-N 2.94Å; M50-F89 HydrophobicContact CE-CE1 4.28Å; M50-F89 HydrophobicContact CE-CZ 3.95Å; M50-F89 HydrophobicContact SD-CD1 4.17Å; M50-F89 HydrophobicContact SD-CE1 3.41Å; M50-F89 WeakPolarHBondContact SD-CE1 3.33Å; M50-F89 HydrophobicContact SD-CZ 3.7Å; R53-F89 HydrophobicContact CG-CZ 4.24Å; V64-F89 HydrophobicContact CG1-CB 3.94Å; F87-F89 HydrophobicContact CD2-CB 4.23Å; F87-F89 AromaticContact CD2-CD1 3.97Å; F87-F89 HydrophobicContact CD2-CD1 3.97Å; F87-F89 HydrophobicContact CE2-CB 4.45Å; F87-F89 AromaticContact CE2-CD1 3.79Å; F87-F89 HydrophobicContact CE2-CD1 3.79Å; F87-F89 HydrophobicContact CE2-CE1 4.48Å; F87-F89 HydrophobicContact CE2-CG 4.41Å; F89-L96 HydrophobicContact CD2-CB 4.23Å; F89-L96 HydrophobicContact CD2-CD1 4.23Å; F89-L96 HydrophobicContact CD2-CD2 3.94Å; F89-L96 HydrophobicContact CD2-CG 4.36Å; F89-L96 HydrophobicContact CE2-CD1 3.97Å; F89-L96 HydrophobicContact CE2-CD2 3.92Å; F89-L96 HydrophobicContact CE2-CG 4.43Å; F89-E97 CarbonylContact C-O 3.55Å; F89-E97 WeakPolarHBondContact CA-O 3.17Å; F89-E97 WeakPolarHBondContact CB-O 3.2Å |
| 90 | K | 93.8 | Very high | 93.4 | Very high | 65 Ų | 65 | 67 Ų | 67 | 28% | 0.283 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 158.2 | 172.4 | 57.1 | 171.5 | -177.8 | 178.1 | 0 | 110.6 | T27 E97 Q99 | T27-K90 HydrophobicContact CG2-CB 4.11Å; T27-K90 HydrophobicContact CG2-CD 3.76Å; K90-E97 PolarHBondContact N-O 2.84Å; K90-E97 PolarHBondContact O-N 3.07Å; K90-Q99 HydrophobicContact CB-CG 4.46Å; K90-Q99 HydrophobicContact CD-CG 4.28Å; K90-Q99 HydrophobicContact CG-CG 4Å |
| 91 | K | 91.8 | Very high | 93.6 | Very high | 171 Ų | 171 | 62.6 Ų | 62.6 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122.9 | 167.5 | -167 | 172.8 | -178 | 176.8 | 0 | 108.9 | L96 | K91-L96 HydrophobicContact CB-CD2 4.45Å |
| 92 | S | 90.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 56 Ų | 56 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 169.4 | 178.4 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | K94 G95 | S92-K94 PolarHBondContact O-N 3.08Å; S92-K94 VanDerWaalsContact O-N 3.08Å; S92-G95 WeakPolarHBondContact CA-O 3.42Å; S92-G95 WeakPolarHBondContact CB-O 3.23Å; S92-G95 PolarHBondContact N-O 2.77Å; S92-G95 PolarHBondContact O-N 3.37Å; S92-G95 VanDerWaalsContact O-N 3.07Å |
| 93 | S | 90.1 | Very high | 93.7 | Very high | 133 Ų | 133 | 53.5 Ų | 53.5 | 93% | 0.93 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.9 | 179.3 | -45.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 94 | K | 87.9 | Confident | 93.6 | Very high | 210 Ų | 210 | 56 Ų | 56 | 91% | 0.913 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.4 | -179.9 | -64 | -176 | 179 | 176.9 | 0 | 114.1 | S92 | S92-K94 PolarHBondContact O-N 3.08Å; S92-K94 VanDerWaalsContact O-N 3.08Å |
| 95 | G | 91.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 37% | 0.371 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 116.2 | -156.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S92 | S92-G95 WeakPolarHBondContact CA-O 3.42Å; S92-G95 WeakPolarHBondContact CB-O 3.23Å; S92-G95 PolarHBondContact N-O 2.77Å; S92-G95 PolarHBondContact O-N 3.37Å; S92-G95 VanDerWaalsContact O-N 3.07Å |
| 96 | L | 94.2 | Very high | 93 | Very high | 42 Ų | 42 | 58.3 Ų | 58.3 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.6 | 179.6 | -58.2 | -178 | 0 | 0 | 0 | 110.5 | M50 V62 V64 F65 F89 K91 | M50-L96 HydrophobicContact CE-CD1 4.26Å; V62-L96 HydrophobicContact CG1-CD1 3.6Å; V64-L96 HydrophobicContact CB-CB 4.44Å; V64-L96 HydrophobicContact CG1-CB 4.26Å; V64-L96 HydrophobicContact CG2-CB 4.05Å; V64-L96 HydrophobicContact CG2-CD1 4.1Å; F65-L96 WeakPolarHBondContact CB-O 3.08Å; F65-L96 PolarHBondContact N-O 2.83Å; F89-L96 HydrophobicContact CD2-CB 4.23Å; F89-L96 HydrophobicContact CD2-CD1 4.23Å; F89-L96 HydrophobicContact CD2-CD2 3.94Å; F89-L96 HydrophobicContact CD2-CG 4.36Å; F89-L96 HydrophobicContact CE2-CD1 3.97Å; F89-L96 HydrophobicContact CE2-CD2 3.92Å; F89-L96 HydrophobicContact CE2-CG 4.43Å; K91-L96 HydrophobicContact CB-CD2 4.45Å |
| 97 | E | 94.9 | Very high | 92.8 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.2 | -179.1 | 173.2 | 178.6 | -169.5 | 0 | 0 | 110.4 | F65 F89 K90 | F65-E97 HydrophobicContact CD1-CG 4.17Å; F89-E97 CarbonylContact C-O 3.55Å; F89-E97 WeakPolarHBondContact CA-O 3.17Å; F89-E97 WeakPolarHBondContact CB-O 3.2Å; K90-E97 PolarHBondContact N-O 2.84Å; K90-E97 PolarHBondContact O-N 3.07Å |
| 98 | S | 95.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 134.6 | 175.1 | 71.4 | 0 | 0 | 0 | 0 | 111.3 | F65 V66 T88 | F65-S98 WeakPolarHBondContact O-CB 3.49Å; F65-S98 PolarHBondContact O-N 2.73Å; F65-S98 PolarHBondContact O-OG 2.88Å; V66-S98 WeakPolarHBondContact CA-OG 3.35Å; T88-S98 CarbonylContact O-C 3.58Å; T88-S98 WeakPolarHBondContact O-CA 3.39Å |
| 99 | Q | 94.9 | Very high | 92.5 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -40.2 | 170 | -65.2 | -165.8 | 18.9 | 0 | 0 | 112.8 | S29 K70 T88 K90 | S29-Q99 PolarHBondContact OG-NE2 3.37Å; K70-Q99 WeakPolarHBondContact CB-O 3.47Å; K70-Q99 WeakPolarHBondContact CD-O 3.28Å; T88-Q99 PolarHBondContact O-N 2.83Å; K90-Q99 HydrophobicContact CB-CG 4.46Å; K90-Q99 HydrophobicContact CD-CG 4.28Å; K90-Q99 HydrophobicContact CG-CG 4Å |
| 100 | R | 94.3 | Very high | 92.3 | Very high | 120 Ų | 120 | 68.7 Ų | 68.7 | 45% | 0.453 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 133.6 | 177.8 | -175.1 | 176.3 | -175.8 | -108.1 | -2.4 | 108.7 | H72 F87 T88 | H72-R100 PolarHBondContact NE2-NH2 3.08Å; F87-R100 CarbonylContact C-O 3.52Å; F87-R100 WeakPolarHBondContact CA-O 3.35Å; F87-R100 WeakPolarHBondContact CB-O 3.39Å; T88-R100 PolarHBondContact N-O 3.5Å; T88-R100 PolarHBondContact O-N 3.28Å; T88-R100 PolarHBondContact OG1-N 2.88Å |
| 101 | V | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.1 | 179.4 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | L48 V66 K70 L71 H72 V85 F87 | L48-V101 HydrophobicContact CD1-CG1 4.14Å; L48-V101 HydrophobicContact CD1-CG2 4Å; V66-V101 HydrophobicContact CG2-CG2 3.8Å; K70-V101 PolarHBondContact O-N 3.23Å; L71-V101 HydrophobicContact CD2-CB 3.87Å; L71-V101 HydrophobicContact CD2-CG1 3.8Å; H72-V101 VanDerWaalsContact CB-O 3.23Å; H72-V101 WeakPolarHBondContact CB-O 3.31Å; H72-V101 PolarHBondContact N-O 3.44Å; V85-V101 HydrophobicContact CB-CG1 4.05Å; V85-V101 HydrophobicContact CG1-CG1 4.15Å; F87-V101 HydrophobicContact CB-CB 4.24Å; F87-V101 HydrophobicContact CB-CG1 4.35Å; F87-V101 HydrophobicContact CB-CG2 3.82Å |
| 102 | T | 95.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 164.6 | 178.1 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | H72 V85 E86 | H72-T102 HydrophobicContact CB-CG2 3.56Å; V85-T102 CarbonylContact C-O 3.51Å; V85-T102 WeakPolarHBondContact CA-O 3.1Å; V85-T102 WeakPolarHBondContact CB-O 3.39Å; E86-T102 PolarHBondContact N-O 3.4Å; E86-T102 PolarHBondContact O-N 3.23Å; E86-T102 VanDerWaalsContact O-O 3.04Å; E86-T102 PolarHBondContact O-OG1 2.97Å |
| 103 | G | 94.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | trans | -68.9 | 176.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G105 G106 I107 | G103-G105 PolarHBondContact O-N 2.68Å; G103-G106 PolarHBondContact O-N 2.78Å; G103-G106 VanDerWaalsContact O-N 3.16Å; G103-I107 WeakPolarHBondContact CA-O 3.49Å; G103-I107 PolarHBondContact N-O 2.78Å | ||
| 104 | P | 91.7 | Very high | 89.8 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -57.8 | 136.4 | 177 | 25.4 | -34.6 | 0 | 0 | 0 | 110.9 | A84 E86 G106 I107 | A84-P104 WeakPolarHBondContact O-CD 3.5Å; E86-P104 WeakPolarHBondContact OE1-CA 3.48Å; P104-G106 VanDerWaalsContact C-N 3.26Å; P104-G106 PolarHBondContact O-N 3.04Å; P104-I107 WeakPolarHBondContact O-CD1 3.47Å; P104-I107 WeakPolarHBondContact O-CG1 3.27Å |
| 105 | G | 88 | Confident | 88.8 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 71% | 0.711 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | 67.1 | 23.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E86 G103 I107 | E86-G105 VanDerWaalsContact CD-N 3.34Å; E86-G105 PolarHBondContact OE1-N 3.33Å; E86-G105 PolarHBondContact OE2-N 2.8Å; G103-G105 PolarHBondContact O-N 2.68Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 3.19Å |
| 106 | G | 89 | Confident | 87.3 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | 76.8 | 10.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G103 P104 | G103-G106 PolarHBondContact O-N 2.78Å; G103-G106 VanDerWaalsContact O-N 3.16Å; P104-G106 VanDerWaalsContact C-N 3.26Å; P104-G106 PolarHBondContact O-N 3.04Å |
| 107 | I | 92.3 | Very high | 85.6 | Confident | 110 Ų | 110 | 74 Ų | 74 | 56% | 0.564 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 159.8 | 178.4 | -57.3 | 171.2 | 0 | 0 | 0 | 110 | G103 P104 G105 | G103-I107 WeakPolarHBondContact CA-O 3.49Å; G103-I107 PolarHBondContact N-O 2.78Å; P104-I107 WeakPolarHBondContact O-CD1 3.47Å; P104-I107 WeakPolarHBondContact O-CG1 3.27Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 3.19Å |
| 108 | H | 92.1 | Very high | 83.7 | Confident | 94 Ų | 94 | 74.9 Ų | 74.9 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 142.3 | 169.6 | -61.1 | 96 | 0 | 0 | 0 | 111.1 | H72 | H72-H108 WeakPolarHBondContact O-CA 3.47Š|
| 109 | C | 91.4 | Very high | 81.9 | Confident | 7 Ų | 7 | 83.9 Ų | 83.9 | 5% | 0.047 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 152.9 | 176 | -38.1 | 0 | 0 | 0 | 0 | 110.1 | H72 M73 L79 E83 | H72-C109 PolarHBondContact O-N 3.08Å; M73-C109 WeakPolarHBondContact CE-O 3.45Å; M73-C109 HydrophobicContact CG-CB 3.52Å; M73-C109 WeakPolarHBondContact CG-O 3.46Å; M73-C109 HydrophobicContact SD-CB 3.54Å; M73-C109 VanDerWaalsContact SD-CB 3.54Å; L79-C109 HydrophobicContact CD2-CB 3.76Å; E83-C109 WeakPolarHBondContact OE1-CA 3.45Å; E83-C109 VanDerWaalsContact OE1-CB 3.26Å; E83-C109 WeakPolarHBondContact OE1-CB 2.99Å |
| 110 | V | 88.4 | Confident | 79.8 | Confident | 114 Ų | 114 | 88.9 Ų | 88.9 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | trans | -71.7 | -47 | -179.4 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | E83 | E83-V110 HydrophobicContact CG-CB 4.43Å; E83-V110 HydrophobicContact CG-CG2 4.3Å; E83-V110 PolarHBondContact OE1-N 3.19Å | ||
| 111 | G | 86.4 | Confident | 77.9 | Confident | 5 Ų | 5 | 89 Ų | 89 | 5% | 0.052 | 47% | 0.473 | C | S | . | . | trans | 75.4 | 170.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S78 E83 | S78-G111 WeakPolarHBondContact O-CA 3.43Å; E83-G111 PolarHBondContact OE2-N 3.37Å; E83-G111 VanDerWaalsContact OE2-N 3.16Å | ||
| 112 | S | 84.1 | Confident | 76 | Confident | 24 Ų | 24 | 96.4 Ų | 96.4 | 17% | 0.168 | 51% | 0.508 | C | S | . | . | trans | -74.7 | 136.1 | -172.5 | 84.8 | 0 | 0 | 0 | 0 | 111.6 | V41 S78 R114 | V41-S112 VanDerWaalsContact CG2-OG 3.28Å; V41-S112 WeakPolarHBondContact CG2-OG 3.26Å; S78-S112 PolarHBondContact OG-N 3.46Å; S78-S112 PolarHBondContact OG-OG 3.11Å; S112-R114 PolarHBondContact O-N 2.99Å; S112-R114 VanDerWaalsContact O-N 3.16Å; S112-R114 PolarHBondContact OG-O 2.99Å | ||
| 113 | E | 75.5 | Confident | 74 | Confident | 159 Ų | 159 | 104.3 Ų | 104.3 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -61.9 | -21.1 | 169.7 | -65 | 166.1 | -154.8 | 0 | 0 | 111.9 | K80 R115 | K80-E113 IonicContact NZ-OE1 2.77Å; K80-E113 PolarHBondContact NZ-OE1 3.18Å; E113-R115 VanDerWaalsContact C-N 3.27Å; E113-R115 PolarHBondContact O-N 3.12Å; E113-R115 VanDerWaalsContact O-N 3.16Å |
| 114 | R | 69.1 | Low | 72.1 | Confident | 208 Ų | 208 | 114.2 Ų | 114.2 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | trans | -87.9 | 60.8 | 175.1 | -58.7 | -132.4 | -127.1 | -82.8 | 3.3 | 110.7 | S112 P116 | S112-R114 PolarHBondContact O-N 2.99Å; S112-R114 VanDerWaalsContact O-N 3.16Å; S112-R114 PolarHBondContact OG-O 2.99Å; R114-P116 WeakPolarHBondContact O-CD 3.47Å; R114-P116 VanDerWaalsContact O-N 3.15Å | ||
| 115 | R | 65.8 | Low | 70.4 | Confident | 162 Ų | 162 | 119.2 Ų | 119.2 | 61% | 0.611 | 59% | 0.588 | S | S | * | * | trans | -53.8 | 126.3 | 154.2 | -169.8 | 173 | -174.2 | 128.3 | -2.5 | 105.6 | F76 E113 K117 | F76-R115 HydrophobicContact CD1-CG 4.27Å; E113-R115 VanDerWaalsContact C-N 3.27Å; E113-R115 PolarHBondContact O-N 3.12Å; E113-R115 VanDerWaalsContact O-N 3.16Å; R115-K117 PolarHBondContact O-N 3.04Å | ||
| 116 | P | 60.6 | Low | 69.1 | Low | 78 Ų | 78 | 120.2 Ų | 120.2 | 51% | 0.506 | 58% | 0.584 | S | S | . | * | trans | -56.1 | 104.9 | 168.4 | 22 | -28.9 | 0 | 0 | 0 | 103.7 | F76 R114 G118 | F76-P116 HydrophobicContact CE2-CG 4.41Å; F76-P116 HydrophobicContact CZ-CG 4.06Å; R114-P116 WeakPolarHBondContact O-CD 3.47Å; R114-P116 VanDerWaalsContact O-N 3.15Å; P116-G118 PolarHBondContact O-N 2.84Å | ||
| 117 | K | 58.8 | Low | 67.8 | Low | 177 Ų | 177 | 127 Ų | 127 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | trans | -59.9 | 89.6 | 166.8 | -76.5 | 177.1 | 176.9 | 170 | 0 | 100.7 | R115 K119 | R115-K117 PolarHBondContact O-N 3.04Å; K117-K119 VanDerWaalsContact C-N 3.32Å; K117-K119 WeakPolarHBondContact O-CA 3.16Å; K117-K119 PolarHBondContact O-N 2.76Å | ||
| 118 | G | 54.8 | Low | 66.2 | Low | 65 Ų | 65 | 123.5 Ų | 123.5 | 67% | 0.67 | 60% | 0.595 | S | S | * | * | trans | -45.1 | 111.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 102.2 | P116 K120 | P116-G118 PolarHBondContact O-N 2.84Å; G118-K120 PolarHBondContact O-N 2.64Å | ||
| 119 | K | 56.2 | Low | 65.3 | Low | 189 Ų | 189 | 122.1 Ų | 122.1 | 82% | 0.822 | 59% | 0.591 | S | S | * | * | trans | -33.9 | 114.5 | -153.9 | -77.3 | 178.1 | 180 | 174.4 | 0 | 103.7 | K117 V121 | K117-K119 VanDerWaalsContact C-N 3.32Å; K117-K119 WeakPolarHBondContact O-CA 3.16Å; K117-K119 PolarHBondContact O-N 2.76Å; K119-V121 PolarHBondContact O-N 2.72Å | ||
| 120 | K | 50.4 | Low | 65 | Low | 171 Ų | 171 | 125.3 Ų | 125.3 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | trans | -49.6 | 106.2 | 171.2 | -78.9 | -170.4 | -178.9 | -173.5 | 0 | 100.3 | G118 Q122 | G118-K120 PolarHBondContact O-N 2.64Å; K120-Q122 HydrophobicContact CB-CG 4.37Å; K120-Q122 PolarHBondContact O-N 2.67Å | ||
| 121 | V | 55.8 | Low | 64.8 | Low | 123 Ų | 123 | 120 Ų | 120 | 75% | 0.745 | 57% | 0.57 | S | S | * | * | trans | -69 | 83.3 | 161.6 | 177.7 | 0 | 0 | 0 | 0 | 95.4 | K119 K123 | K119-V121 PolarHBondContact O-N 2.72Å; V121-K123 HydrophobicContact CG1-CB 4.17Å; V121-K123 PolarHBondContact O-N 2.64Å | ||
| 122 | Q | 55.8 | Low | 64.8 | Low | 155 Ų | 155 | 126.5 Ų | 126.5 | 72% | 0.724 | 59% | 0.594 | S | S | * | * | trans | -49.9 | 79.5 | 133.1 | -64.4 | -173.8 | -36 | 0 | 0 | 101.2 | K120 R124 | K120-Q122 HydrophobicContact CB-CG 4.37Å; K120-Q122 PolarHBondContact O-N 2.67Å; Q122-R124 PolarHBondContact O-N 2.69Å | ||
| 123 | K | 53.9 | Low | 64.9 | Low | 174 Ų | 174 | 126.6 Ų | 126.6 | 76% | 0.757 | 59% | 0.592 | S | S | * | * | trans | -50.5 | 81.2 | 130.4 | -148.2 | 176.5 | -173.8 | 177.8 | 0 | 99.1 | V121 R125 | V121-K123 HydrophobicContact CG1-CB 4.17Å; V121-K123 PolarHBondContact O-N 2.64Å; K123-R125 PolarHBondContact O-N 2.55Å | ||
| 124 | R | 53.4 | Low | 65.4 | Low | 210 Ų | 210 | 121.1 Ų | 121.1 | 79% | 0.792 | 57% | 0.571 | S | S | * | * | trans | -44.8 | 96.5 | 144.1 | -80.6 | -175.6 | 162.4 | -162.5 | -3.9 | 98.5 | Q122 S126 | Q122-R124 PolarHBondContact O-N 2.69Å; R124-S126 WeakPolarHBondContact O-CA 3.44Å; R124-S126 PolarHBondContact O-N 3.35Å | ||
| 125 | R | 57.1 | Low | 66 | Low | 176 Ų | 176 | 112.8 Ų | 112.8 | 66% | 0.664 | 55% | 0.55 | S | S | * | . | trans | -51.2 | 109.1 | 165.4 | -78.5 | -157.3 | 176.8 | -163 | 5.6 | 100.6 | K123 K127 D129 | K123-R125 PolarHBondContact O-N 2.55Å; R125-K127 PolarHBondContact O-N 3.15Å; R125-K127 VanDerWaalsContact O-N 3.09Å; R125-D129 IonicContact NH1-OD2 3.99Å | ||
| 126 | S | 59.8 | Low | 66.9 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | trans | -47.1 | 127.9 | -165.7 | -45 | 0 | 0 | 0 | 0 | 105.1 | R124 G128 D129 | R124-S126 WeakPolarHBondContact O-CA 3.44Å; R124-S126 PolarHBondContact O-N 3.35Å; S126-G128 CarbonylContact O-C 3.48Å; S126-G128 VanDerWaalsContact O-CA 3.27Å; S126-G128 WeakPolarHBondContact O-CA 3.47Å; S126-G128 PolarHBondContact O-N 2.99Å; S126-D129 PolarHBondContact O-N 3.35Å | ||
| 127 | K | 61.2 | Low | 67.9 | Low | 176 Ų | 176 | 107.8 Ų | 107.8 | 77% | 0.765 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 71.5 | -175.1 | -177.6 | -177.1 | 175.3 | 179.2 | 0 | 110.6 | R125 | R125-K127 PolarHBondContact O-N 3.15Å; R125-K127 VanDerWaalsContact O-N 3.09Å |
| 128 | G | 60 | Low | 69 | Low | 35 Ų | 35 | 106.9 Ų | 106.9 | 36% | 0.361 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 166.3 | -16.2 | -150.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | S126 R130 | S126-G128 CarbonylContact O-C 3.48Å; S126-G128 VanDerWaalsContact O-CA 3.27Å; S126-G128 WeakPolarHBondContact O-CA 3.47Å; S126-G128 PolarHBondContact O-N 2.99Å; G128-R130 PolarHBondContact O-N 3.32Å |
| 129 | D | 73.2 | Confident | 70.5 | Confident | 65 Ų | 65 | 106.4 Ų | 106.4 | 35% | 0.348 | 52% | 0.52 | S | S | . | . | trans | -82.1 | 56.5 | 170.9 | -161.9 | 22.8 | 0 | 0 | 0 | 111.2 | R125 S126 H140 | R125-D129 IonicContact NH1-OD2 3.99Å; S126-D129 PolarHBondContact O-N 3.35Å; D129-H140 IonicContact OD1-CE1 3.47Å; D129-H140 PolarHBondContact OD1-CE1 3.09Å; D129-H140 IonicContact OD1-NE2 3.12Å; D129-H140 PolarHBondContact OD1-NE2 2.74Å; D129-H140 VanDerWaalsContact OD1-NE2 3.12Å | ||
| 130 | R | 83.8 | Confident | 71.9 | Confident | 74 Ų | 74 | 101.8 Ų | 101.8 | 28% | 0.279 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -119.9 | 144.2 | 176.2 | -66.5 | -170 | -75.4 | 174 | -1.7 | 108.3 | G128 Y132 L137 H154 | G128-R130 PolarHBondContact O-N 3.32Å; R130-Y132 PolarHBondContact O-N 3.08Å; R130-Y132 VanDerWaalsContact O-N 3.13Å; R130-L137 HydrophobicContact CG-CD2 3.78Å; R130-H154 PolarHBondContact NH2-O 3.41Å |
| 131 | C | 86.2 | Confident | 73.7 | Confident | 3 Ų | 3 | 95.6 Ų | 95.6 | 2% | 0.02 | 48% | 0.482 | C | S | . | . | trans | -54.3 | 121 | 172.6 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | N133 C134 G135 G136 H139 | C131-N133 PolarHBondContact O-N 3.37Å; C131-N133 VanDerWaalsContact O-N 3.16Å; C131-N133 PolarHBondContact SG-N 3.35Å; C131-N133 VanDerWaalsContact SG-N 3.38Å; C131-C134 PolarHBondContact SG-N 2.98Å; C131-G135 VanDerWaalsContact O-CA 3.26Å; C131-G135 WeakPolarHBondContact O-CA 3.34Å; C131-G135 PolarHBondContact O-N 3.25Å; C131-G136 PolarHBondContact N-O 3.46Å; C131-H139 WeakPolarHBondContact CB-O 3.5Å | ||
| 132 | Y | 85.3 | Confident | 75.2 | Confident | 142 Ų | 142 | 99.6 Ų | 99.6 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -15.1 | 179.8 | -59.7 | -61.2 | 0 | 0 | 0 | 114.5 | R130 A141 H154 | R130-Y132 PolarHBondContact O-N 3.08Å; R130-Y132 VanDerWaalsContact O-N 3.13Å; Y132-A141 HydrophobicContact CD2-CB 4.47Å; Y132-H154 AromaticContact CD1-CE1 3.16Å; Y132-H154 WeakPolarHBondContact CD1-CE1 3.5Å; Y132-H154 AromaticContact CD1-ND1 3.36Å; Y132-H154 WeakPolarHBondContact CD1-ND1 3.27Å; Y132-H154 AromaticContact CE1-CE1 3.55Å; Y132-H154 AromaticContact CE1-ND1 3.53Å |
| 133 | N | 86 | Confident | 76.7 | Confident | 25 Ų | 25 | 98.4 Ų | 98.4 | 13% | 0.134 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -52.6 | 176.1 | -162.5 | 35.9 | 0 | 0 | 0 | 112.8 | C131 A141 C144 L146 P147 Q149 | C131-N133 PolarHBondContact O-N 3.37Å; C131-N133 VanDerWaalsContact O-N 3.16Å; C131-N133 PolarHBondContact SG-N 3.35Å; C131-N133 VanDerWaalsContact SG-N 3.38Å; N133-A141 HydrophobicContact CB-CB 4.33Å; N133-C144 HydrophobicContact CB-CB 4.09Å; N133-L146 PolarHBondContact ND2-O 3.12Å; N133-L146 VanDerWaalsContact ND2-O 3.09Å; N133-P147 PolarHBondContact ND2-O 3.47Å; N133-Q149 WeakPolarHBondContact OD1-CB 3.26Å; N133-Q149 PolarHBondContact OD1-N 3.05Å |
| 134 | C | 86.1 | Confident | 78.3 | Confident | 45 Ų | 45 | 91.1 Ų | 91.1 | 30% | 0.304 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -11.9 | -173 | 73 | 0 | 0 | 0 | 0 | 115.9 | C131 G136 H139 C144 L146 | C131-C134 PolarHBondContact SG-N 2.98Å; C134-G136 PolarHBondContact SG-N 3.28Å; C134-H139 VanDerWaalsContact SG-CE1 3.56Å; C134-H139 PolarHBondContact SG-NE2 3.39Å; C134-C144 VanDerWaalsContact SG-SG 3.65Å; C134-L146 HydrophobicContact CB-CD1 3.7Å |
| 135 | G | 81.7 | Confident | 80 | Confident | 33 Ų | 33 | 91.1 Ų | 91.1 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | trans | 84.1 | 1.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | C131 | C131-G135 VanDerWaalsContact O-CA 3.26Å; C131-G135 WeakPolarHBondContact O-CA 3.34Å; C131-G135 PolarHBondContact O-N 3.25Å | ||
| 136 | G | 84.3 | Confident | 81.4 | Confident | 23 Ų | 23 | 87.3 Ų | 87.3 | 24% | 0.237 | 45% | 0.452 | C | S | . | . | trans | -60.8 | 151.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C131 C134 | C131-G136 PolarHBondContact N-O 3.46Å; C134-G136 PolarHBondContact SG-N 3.28Å | ||
| 137 | L | 81.5 | Confident | 82.7 | Confident | 112 Ų | 112 | 87.1 Ų | 87.1 | 59% | 0.586 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -92.8 | -14.4 | -176.5 | -59.2 | -179.3 | 0 | 0 | 0 | 113.9 | R130 | R130-L137 HydrophobicContact CG-CD2 3.78Š|
| 138 | D | 82.6 | Confident | 83.9 | Confident | 158 Ų | 158 | 84.6 Ų | 84.6 | 85% | 0.845 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -105.3 | 4.9 | -168.9 | -60.5 | -45.3 | 0 | 0 | 0 | 113.9 | ||
| 139 | H | 85.9 | Confident | 85.2 | Confident | 54 Ų | 54 | 86.5 Ų | 86.5 | 25% | 0.25 | 45% | 0.45 | C | S | . | . | trans | -158.1 | 162 | 177.5 | 61 | -84.5 | 0 | 0 | 0 | 112.1 | C131 C134 E143 C144 | C131-H139 WeakPolarHBondContact CB-O 3.5Å; C134-H139 VanDerWaalsContact SG-CE1 3.56Å; C134-H139 PolarHBondContact SG-NE2 3.39Å; H139-E143 HydrophobicContact CB-CB 4.17Å; H139-C144 PolarHBondContact NE2-SG 3.23Å | ||
| 140 | H | 86.9 | Confident | 85.8 | Confident | 92 Ų | 92 | 87.1 Ų | 87.1 | 43% | 0.426 | 46% | 0.458 | S | S | . | . | trans | -94 | 163.9 | 169.8 | -73.7 | 92.1 | 0 | 0 | 0 | 111.4 | D129 K142 E143 C144 | D129-H140 IonicContact OD1-CE1 3.47Å; D129-H140 PolarHBondContact OD1-CE1 3.09Å; D129-H140 IonicContact OD1-NE2 3.12Å; D129-H140 PolarHBondContact OD1-NE2 2.74Å; D129-H140 VanDerWaalsContact OD1-NE2 3.12Å; H140-K142 PolarHBondContact O-N 3.33Å; H140-E143 PolarHBondContact O-N 3.34Å; H140-C144 PolarHBondContact O-N 2.8Å | ||
| 141 | A | 86.7 | Confident | 85.9 | Confident | 42 Ų | 42 | 91.8 Ų | 91.8 | 35% | 0.347 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -56.2 | -24.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y132 N133 E143 C144 | Y132-A141 HydrophobicContact CD2-CB 4.47Å; N133-A141 HydrophobicContact CB-CB 4.33Å; A141-E143 VanDerWaalsContact C-N 3.25Å; A141-E143 PolarHBondContact O-N 2.86Å; A141-C144 PolarHBondContact O-N 3.16Å |
| 142 | K | 87.8 | Confident | 86 | Confident | 206 Ų | 206 | 96.9 Ų | 96.9 | 90% | 0.896 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -68.8 | -23.8 | 176.1 | -59 | -178.5 | -179.4 | -176.1 | 0 | 113.3 | H140 | H140-K142 PolarHBondContact O-N 3.33Š|
| 143 | E | 86.8 | Confident | 86 | Confident | 131 Ų | 131 | 90.1 Ų | 90.1 | 61% | 0.612 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -111.4 | 7.7 | -176.5 | -65.7 | 161.3 | -142.9 | 0 | 0 | 111.2 | H139 H140 A141 K145 | H139-E143 HydrophobicContact CB-CB 4.17Å; H140-E143 PolarHBondContact O-N 3.34Å; A141-E143 VanDerWaalsContact C-N 3.25Å; A141-E143 PolarHBondContact O-N 2.86Å; E143-K145 PolarHBondContact O-N 3.13Å |
| 144 | C | 89.3 | Confident | 86 | Confident | 21 Ų | 21 | 94 Ų | 94 | 14% | 0.142 | 49% | 0.49 | C | S | . | . | trans | -75.3 | 121.7 | -179 | -166.1 | 0 | 0 | 0 | 0 | 110.4 | N133 C134 H139 H140 A141 L146 | N133-C144 HydrophobicContact CB-CB 4.09Å; C134-C144 VanDerWaalsContact SG-SG 3.65Å; H139-C144 PolarHBondContact NE2-SG 3.23Å; H140-C144 PolarHBondContact O-N 2.8Å; A141-C144 PolarHBondContact O-N 3.16Å; C144-L146 PolarHBondContact O-N 2.97Å | ||
| 145 | K | 89.1 | Confident | 85.8 | Confident | 209 Ų | 209 | 94.3 Ų | 94.3 | 91% | 0.909 | 49% | 0.486 | S | S | * | . | trans | -75.4 | -10 | -179.9 | -57.7 | 178.4 | -176 | -178.7 | 0 | 113.6 | E143 | E143-K145 PolarHBondContact O-N 3.13Š| ||
| 146 | L | 85.4 | Confident | 86 | Confident | 97 Ų | 97 | 94.8 Ų | 94.8 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -81.6 | 146.6 | 177.4 | -64.3 | -175.6 | 0 | 0 | 0 | 110.4 | N133 C134 C144 | N133-L146 PolarHBondContact ND2-O 3.12Å; N133-L146 VanDerWaalsContact ND2-O 3.09Å; C134-L146 HydrophobicContact CB-CD1 3.7Å; C144-L146 PolarHBondContact O-N 2.97Å |
| 147 | P | 87.2 | Confident | 86 | Confident | 86 Ų | 86 | 98.8 Ų | 98.8 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 154.9 | 171.1 | 24.8 | -32.5 | 0 | 0 | 0 | 110.3 | N133 Q149 | N133-P147 PolarHBondContact ND2-O 3.47Å; P147-Q149 WeakPolarHBondContact O-CG 3.26Å; P147-Q149 PolarHBondContact O-N 2.79Å; P147-Q149 VanDerWaalsContact O-N 3.09Å; P147-Q149 PolarHBondContact O-NE2 2.85Å |
| 148 | P | 87.3 | Confident | 86.3 | Confident | 124 Ų | 124 | 94.7 Ų | 94.7 | 81% | 0.805 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 118.2 | -178.5 | 23.4 | -32.9 | 0 | 0 | 0 | 110.4 | ||
| 149 | Q | 86 | Confident | 86.5 | Confident | 75 Ų | 75 | 92 Ų | 92 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 155.2 | 179.5 | -62 | -56.3 | -60.5 | 0 | 0 | 110.3 | N133 P147 K151 | N133-Q149 WeakPolarHBondContact OD1-CB 3.26Å; N133-Q149 PolarHBondContact OD1-N 3.05Å; P147-Q149 WeakPolarHBondContact O-CG 3.26Å; P147-Q149 PolarHBondContact O-N 2.79Å; P147-Q149 VanDerWaalsContact O-N 3.09Å; P147-Q149 PolarHBondContact O-NE2 2.85Å; Q149-K151 PolarHBondContact O-N 3.28Å |
| 150 | P | 86.6 | Confident | 86.7 | Confident | 78 Ų | 78 | 96.1 Ų | 96.1 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 137.6 | 173.8 | 23.5 | -34 | 0 | 0 | 0 | 110.6 | R152 I159 | P150-R152 PolarHBondContact O-N 2.98Å; P150-I159 HydrophobicContact CG-CG2 4.2Å |
| 151 | K | 85.1 | Confident | 86.7 | Confident | 172 Ų | 172 | 93.6 Ų | 93.6 | 75% | 0.748 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 131.8 | -177.5 | -66.4 | -174.8 | -179.4 | 178.5 | 0 | 109.7 | Q149 | Q149-K151 PolarHBondContact O-N 3.28Š|
| 152 | R | 88.1 | Confident | 86.9 | Confident | 109 Ų | 109 | 97.6 Ų | 97.6 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | trans | -108.1 | 150.6 | 179.7 | -65 | 178 | -171.1 | -173.2 | 1.9 | 111 | P150 H154 Q157 S158 I159 | P150-R152 PolarHBondContact O-N 2.98Å; R152-H154 PolarHBondContact O-N 2.94Å; R152-Q157 WeakPolarHBondContact CD-O 3.24Å; R152-S158 CarbonylContact C-O 3.51Å; R152-S158 VanDerWaalsContact CA-O 3.24Å; R152-S158 WeakPolarHBondContact CA-O 3.35Å; R152-I159 HydrophobicContact CG-CG2 3.73Å | ||
| 153 | C | 86.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 90 Ų | 90 | 1% | 0.007 | 46% | 0.457 | C | S | . | . | trans | -55.7 | 120.8 | 167.5 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | F155 Q157 S158 H161 | C153-F155 PolarHBondContact O-N 2.56Å; C153-F155 PolarHBondContact SG-N 2.98Å; C153-Q157 WeakPolarHBondContact O-CA 3.37Å; C153-Q157 PolarHBondContact O-N 3.33Å; C153-S158 PolarHBondContact N-O 3.19Å; C153-H161 WeakPolarHBondContact CB-O 3.19Å | ||
| 154 | H | 84.5 | Confident | 86.9 | Confident | 107 Ų | 107 | 88.2 Ų | 88.2 | 50% | 0.495 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.3 | 179.6 | -60.8 | -76.1 | 0 | 0 | 0 | 114.2 | R130 Y132 R152 | R130-H154 PolarHBondContact NH2-O 3.41Å; Y132-H154 AromaticContact CD1-CE1 3.16Å; Y132-H154 WeakPolarHBondContact CD1-CE1 3.5Å; Y132-H154 AromaticContact CD1-ND1 3.36Å; Y132-H154 WeakPolarHBondContact CD1-ND1 3.27Å; Y132-H154 AromaticContact CE1-CE1 3.55Å; Y132-H154 AromaticContact CE1-ND1 3.53Å; R152-H154 PolarHBondContact O-N 2.94Å |
| 155 | F | 83.3 | Confident | 86.9 | Confident | 51 Ų | 51 | 91.6 Ų | 91.6 | 22% | 0.224 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -60.3 | -178.8 | -171.3 | -99.2 | 0 | 0 | 0 | 112.8 | C153 V163 V168 K169 Q172 | C153-F155 PolarHBondContact O-N 2.56Å; C153-F155 PolarHBondContact SG-N 2.98Å; F155-V163 HydrophobicContact CB-CG2 3.96Å; F155-V168 HydrophobicContact CD1-CB 4.18Å; F155-V168 HydrophobicContact CD1-CG1 4.36Å; F155-V168 HydrophobicContact CE1-CB 3.95Å; F155-V168 HydrophobicContact CE1-CG1 3.78Å; F155-K169 HydrophobicContact CD1-CB 3.84Å; F155-K169 HydrophobicContact CD2-CB 4.48Å; F155-K169 HydrophobicContact CD2-CD 4.49Å; F155-K169 HydrophobicContact CD2-CG 4.31Å; F155-K169 HydrophobicContact CE1-CB 3.92Å; F155-K169 HydrophobicContact CE2-CG 4.3Å; F155-K169 HydrophobicContact CG-CB 4.09Å; F155-K169 HydrophobicContact CG-CG 4.37Å; F155-K169 HydrophobicContact CZ-CB 4.23Å; F155-K169 HydrophobicContact CZ-CG 4.35Å; F155-Q172 HydrophobicContact CZ-CB 4.42Å; F155-Q172 HydrophobicContact CZ-CG 4.4Å |
| 156 | C | 85.3 | Confident | 86.9 | Confident | 42 Ų | 42 | 81.8 Ų | 81.8 | 28% | 0.284 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -3.6 | -176.4 | 68.2 | 0 | 0 | 0 | 0 | 114.5 | S158 H161 C166 V168 | C156-S158 PolarHBondContact O-N 3.29Å; C156-H161 PolarHBondContact SG-NE2 3.35Å; C156-C166 PolarHBondContact SG-SG 3.13Å; C156-V168 HydrophobicContact CB-CB 4.34Å; C156-V168 HydrophobicContact CB-CG2 4.01Å |
| 157 | Q | 83.9 | Confident | 87 | Confident | 107 Ų | 107 | 80.4 Ų | 80.4 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | trans | 67.8 | 9.9 | 179.2 | -55.7 | 160.5 | 69.1 | 0 | 0 | 115.9 | R152 C153 | R152-Q157 WeakPolarHBondContact CD-O 3.24Å; C153-Q157 WeakPolarHBondContact O-CA 3.37Å; C153-Q157 PolarHBondContact O-N 3.33Å | ||
| 158 | S | 87.3 | Confident | 86.9 | Confident | 27 Ų | 27 | 79 Ų | 79 | 19% | 0.189 | 43% | 0.433 | C | S | . | . | trans | -63.9 | 147.1 | 171.3 | 164.9 | 0 | 0 | 0 | 0 | 111.9 | R152 C153 C156 D160 H161 | R152-S158 CarbonylContact C-O 3.51Å; R152-S158 VanDerWaalsContact CA-O 3.24Å; R152-S158 WeakPolarHBondContact CA-O 3.35Å; C153-S158 PolarHBondContact N-O 3.19Å; C156-S158 PolarHBondContact O-N 3.29Å; S158-D160 PolarHBondContact OG-N 3.34Å; S158-D160 VanDerWaalsContact OG-N 3.13Å; S158-D160 PolarHBondContact OG-OD2 3.04Å; S158-H161 WeakPolarHBondContact CB-CE1 3.3Å; S158-H161 PolarHBondContact OG-CE1 3.48Å; S158-H161 PolarHBondContact OG-ND1 3.46Å | ||
| 159 | I | 86.8 | Confident | 86.8 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 52% | 0.523 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -88.8 | -15 | 175.5 | 54.7 | 170.2 | 0 | 0 | 0 | 113.1 | P150 R152 | P150-I159 HydrophobicContact CG-CG2 4.2Å; R152-I159 HydrophobicContact CG-CG2 3.73Å |
| 160 | D | 90.4 | Very high | 86.6 | Confident | 140 Ų | 140 | 77.1 Ų | 77.1 | 75% | 0.749 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -83.4 | -23.6 | -170 | -49.6 | -72.8 | 0 | 0 | 0 | 112.8 | S158 | S158-D160 PolarHBondContact OG-N 3.34Å; S158-D160 VanDerWaalsContact OG-N 3.13Å; S158-D160 PolarHBondContact OG-OD2 3.04Å |
| 161 | H | 87.7 | Confident | 86.2 | Confident | 39 Ų | 39 | 80.3 Ų | 80.3 | 18% | 0.181 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -143.1 | 155.9 | -177.4 | 62.4 | -90.9 | 0 | 0 | 0 | 111.6 | C153 C156 S158 C166 | C153-H161 WeakPolarHBondContact CB-O 3.19Å; C156-H161 PolarHBondContact SG-NE2 3.35Å; S158-H161 WeakPolarHBondContact CB-CE1 3.3Å; S158-H161 PolarHBondContact OG-CE1 3.48Å; S158-H161 PolarHBondContact OG-ND1 3.46Å; H161-C166 WeakPolarHBondContact CD2-CA 3.48Å; H161-C166 WeakPolarHBondContact NE2-CA 3.36Å; H161-C166 PolarHBondContact NE2-SG 3.36Å |
| 162 | M | 89.4 | Confident | 85.4 | Confident | 125 Ų | 125 | 78.4 Ų | 78.4 | 62% | 0.616 | 43% | 0.425 | S | S | * | . | trans | -91.2 | 169 | 170.4 | -68.6 | -171.8 | -71.2 | 0 | 0 | 111.2 | A164 S165 C166 | M162-A164 PolarHBondContact O-N 3.4Å; M162-S165 PolarHBondContact O-N 3.46Å; M162-C166 PolarHBondContact O-N 3.31Å | ||
| 163 | V | 87.9 | Confident | 84.1 | Confident | 46 Ų | 46 | 77.4 Ų | 77.4 | 28% | 0.279 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -56.8 | -23.9 | -176.2 | 77.1 | 0 | 0 | 0 | 0 | 114.2 | F155 S165 K169 | F155-V163 HydrophobicContact CB-CG2 3.96Å; V163-S165 VanDerWaalsContact C-N 3.31Å; V163-K169 HydrophobicContact CG2-CD 3.63Å |
| 164 | A | 87.4 | Confident | 82.1 | Confident | 94 Ų | 94 | 81 Ų | 81 | 78% | 0.777 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -68 | -29.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M162 | M162-A164 PolarHBondContact O-N 3.4Š|
| 165 | S | 89.5 | Confident | 80.5 | Confident | 93 Ų | 93 | 81.4 Ų | 81.4 | 65% | 0.65 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -116.2 | 23.2 | -178 | -50.9 | 0 | 0 | 0 | 0 | 111.5 | M162 V163 P167 | M162-S165 PolarHBondContact O-N 3.46Å; V163-S165 VanDerWaalsContact C-N 3.31Å; S165-P167 VanDerWaalsContact O-CD 3.3Å; S165-P167 WeakPolarHBondContact O-CD 3.43Å |
| 166 | C | 88.8 | Confident | 78.6 | Confident | 3 Ų | 3 | 85.7 Ų | 85.7 | 2% | 0.02 | 50% | 0.502 | C | S | . | . | trans | -77.5 | 114.4 | -175.8 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | C156 H161 M162 V168 K169 A170 | C156-C166 PolarHBondContact SG-SG 3.13Å; H161-C166 WeakPolarHBondContact CD2-CA 3.48Å; H161-C166 WeakPolarHBondContact NE2-CA 3.36Å; H161-C166 PolarHBondContact NE2-SG 3.36Å; M162-C166 PolarHBondContact O-N 3.31Å; C166-V168 VanDerWaalsContact C-N 3.27Å; C166-V168 PolarHBondContact O-N 3.48Å; C166-K169 HydrophobicContact CB-CB 3.79Å; C166-K169 PolarHBondContact O-N 2.88Å; C166-K169 VanDerWaalsContact O-N 3.08Å; C166-A170 PolarHBondContact O-N 2.93Å | ||
| 167 | P | 88.1 | Confident | 77 | Confident | 68 Ų | 68 | 88 Ų | 88 | 44% | 0.442 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | -178.1 | 25.7 | -33.2 | 0 | 0 | 0 | 111.3 | S165 K169 A170 Q171 | S165-P167 VanDerWaalsContact O-CD 3.3Å; S165-P167 WeakPolarHBondContact O-CD 3.43Å; P167-K169 VanDerWaalsContact C-N 3.3Å; P167-K169 PolarHBondContact O-N 2.99Å; P167-A170 PolarHBondContact O-N 3.09Å; P167-Q171 VanDerWaalsContact O-CG 3.26Å; P167-Q171 WeakPolarHBondContact O-CG 3.16Å; P167-Q171 PolarHBondContact O-N 3.18Å |
| 168 | V | 86 | Confident | 75.3 | Confident | 55 Ų | 55 | 92.2 Ų | 92.2 | 33% | 0.333 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 177.3 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | F155 C156 C166 Q172 | F155-V168 HydrophobicContact CD1-CB 4.18Å; F155-V168 HydrophobicContact CD1-CG1 4.36Å; F155-V168 HydrophobicContact CE1-CB 3.95Å; F155-V168 HydrophobicContact CE1-CG1 3.78Å; C156-V168 HydrophobicContact CB-CB 4.34Å; C156-V168 HydrophobicContact CB-CG2 4.01Å; C166-V168 VanDerWaalsContact C-N 3.27Å; C166-V168 PolarHBondContact O-N 3.48Å; V168-Q172 WeakPolarHBondContact O-CG 3.36Å; V168-Q172 PolarHBondContact O-N 2.76Å |
| 169 | K | 84.7 | Confident | 72.7 | Confident | 94 Ų | 94 | 94.5 Ų | 94.5 | 41% | 0.409 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.2 | -40.2 | 178.1 | -170.9 | 179.4 | 171.9 | -166.5 | 0 | 111.3 | F155 V163 C166 P167 Q171 Q172 S173 | F155-K169 HydrophobicContact CD1-CB 3.84Å; F155-K169 HydrophobicContact CD2-CB 4.48Å; F155-K169 HydrophobicContact CD2-CD 4.49Å; F155-K169 HydrophobicContact CD2-CG 4.31Å; F155-K169 HydrophobicContact CE1-CB 3.92Å; F155-K169 HydrophobicContact CE2-CG 4.3Å; F155-K169 HydrophobicContact CG-CB 4.09Å; F155-K169 HydrophobicContact CG-CG 4.37Å; F155-K169 HydrophobicContact CZ-CB 4.23Å; F155-K169 HydrophobicContact CZ-CG 4.35Å; V163-K169 HydrophobicContact CG2-CD 3.63Å; C166-K169 HydrophobicContact CB-CB 3.79Å; C166-K169 PolarHBondContact O-N 2.88Å; C166-K169 VanDerWaalsContact O-N 3.08Å; P167-K169 VanDerWaalsContact C-N 3.3Å; P167-K169 PolarHBondContact O-N 2.99Å; K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 3.38Å; K169-Q172 PolarHBondContact O-N 3.19Å; K169-S173 PolarHBondContact O-N 2.95Å; K169-S173 PolarHBondContact O-OG 2.99Å |
| 170 | A | 81.9 | Confident | 70.6 | Confident | 67 Ų | 67 | 99.3 Ų | 99.3 | 55% | 0.554 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.6 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C166 P167 S173 | C166-A170 PolarHBondContact O-N 2.93Å; P167-A170 PolarHBondContact O-N 3.09Å; A170-S173 PolarHBondContact O-OG 3.09Å |
| 171 | Q | 77.8 | Confident | 68.1 | Low | 145 Ų | 145 | 98.8 Ų | 98.8 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.1 | -25.3 | 176.7 | -71.7 | 170.6 | -10 | 0 | 0 | 113.9 | P167 K169 S174 | P167-Q171 VanDerWaalsContact O-CG 3.26Å; P167-Q171 WeakPolarHBondContact O-CG 3.16Å; P167-Q171 PolarHBondContact O-N 3.18Å; K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 3.38Å; Q171-S174 PolarHBondContact O-OG 3.38Å |
| 172 | Q | 68.9 | Low | 65.8 | Low | 131 Ų | 131 | 102.1 Ų | 102.1 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -5.7 | 178.6 | -71 | -174.5 | 21.8 | 0 | 0 | 113.9 | F155 V168 K169 | F155-Q172 HydrophobicContact CZ-CB 4.42Å; F155-Q172 HydrophobicContact CZ-CG 4.4Å; V168-Q172 WeakPolarHBondContact O-CG 3.36Å; V168-Q172 PolarHBondContact O-N 2.76Å; K169-Q172 PolarHBondContact O-N 3.19Å |
| 173 | S | 60.6 | Low | 63.8 | Low | 88 Ų | 88 | 102 Ų | 102 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | trans | -98.6 | 6.4 | -179.2 | 49.7 | 0 | 0 | 0 | 0 | 115.1 | K169 A170 | K169-S173 PolarHBondContact O-N 2.95Å; K169-S173 PolarHBondContact O-OG 2.99Å; A170-S173 PolarHBondContact O-OG 3.09Å | ||
| 174 | S | 44.5 | Very low | 61.9 | Low | 78 Ų | 78 | 108 Ų | 108 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -74.9 | 130.1 | 172.1 | 41 | 0 | 0 | 0 | 0 | 110.8 | Q171 V176 | Q171-S174 PolarHBondContact O-OG 3.38Å; S174-V176 PolarHBondContact O-N 3.43Å; S174-V176 VanDerWaalsContact O-N 3.15Å |
| 175 | P | 50.8 | Low | 59.6 | Low | 114 Ų | 114 | 113.6 Ų | 113.6 | 74% | 0.74 | 66% | 0.661 | S | S | * | * | trans | -75.4 | 103.7 | 171.5 | 30.1 | -28.7 | 0 | 0 | 0 | 108.3 | S177 | P175-S177 PolarHBondContact O-N 3.42Š| ||
| 176 | V | 44 | Very low | 57.2 | Low | 141 Ų | 141 | 112.8 Ų | 112.8 | 86% | 0.855 | 67% | 0.667 | S | S | * | * | trans | -71.2 | 90.1 | 157.2 | 168.7 | 0 | 0 | 0 | 0 | 106.7 | S174 | S174-V176 PolarHBondContact O-N 3.43Å; S174-V176 VanDerWaalsContact O-N 3.15Å | ||
| 177 | S | 51.2 | Low | 54.8 | Low | 92 Ų | 92 | 119.1 Ų | 119.1 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | trans | -75.2 | 121.2 | 164.7 | -75.7 | 0 | 0 | 0 | 0 | 109.3 | P175 | P175-S177 PolarHBondContact O-N 3.42Š| ||
| 178 | Q | 46.9 | Very low | 52.5 | Low | 194 Ų | 194 | 124.4 Ų | 124.4 | 91% | 0.907 | 72% | 0.72 | S | S | * | * | trans | 76.6 | 115.4 | 146.6 | -59.5 | -179.5 | -25.4 | 0 | 0 | 119.6 | ||||
| 179 | G | 33.6 | Very low | 50.1 | Low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | -175.5 | 69.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 180 | K | 41.8 | Very low | 47.7 | Very low | 202 Ų | 202 | 129.1 Ų | 129.1 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | trans | -75.9 | 128.4 | 169.4 | -77.8 | 176.3 | 171.9 | 178.1 | 0 | 108.5 | ||||
| 181 | P | 39.6 | Very low | 45.7 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | trans | -85.3 | 111.2 | 156.2 | 29.8 | -23.4 | 0 | 0 | 0 | 108.2 | ||||
| 182 | S | 39.3 | Very low | 43.8 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -83.4 | 146.4 | 168.7 | 38.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 183 | P | 45.7 | Very low | 43.2 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -83 | 147.2 | -178.7 | 33.9 | -32 | 0 | 0 | 0 | 112.2 | ||||
| 184 | L | 48.5 | Very low | 42.6 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -17.9 | 130.5 | 165.4 | -56.6 | 165.4 | 0 | 0 | 0 | 116.8 | ||||
| 185 | K | 39 | Very low | 43.1 | Very low | 210 Ų | 210 | 136.4 Ų | 136.4 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -141.5 | 118.6 | 144.4 | -108.7 | -178.4 | 174.6 | -172.2 | 0 | 107.6 | ||||
| 186 | G | 39.7 | Very low | 43.7 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -75.4 | 156.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 187 | D | 38.2 | Very low | 44.8 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | -177.8 | 132.9 | 128.4 | -150.2 | -147.5 | 0 | 0 | 0 | 109.9 | |||||
| 188 | E | 40.5 | Very low | 45.8 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | 47 | 133.4 | 149.1 | -60.1 | 180 | 146 | 0 | 0 | 120.4 | ||||
| 189 | G | 34 | Very low | 46.5 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | 173.6 | 174.7 | 5.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 190 | E | 35.7 | Very low | 47.7 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 90.3 | 135.1 | 156.4 | -121.4 | -178.5 | 63.7 | 0 | 0 | 122.7 | ||||
| 191 | H | 40.3 | Very low | 48.5 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 70% | 0.704 | 80% | 0.8 | S | S | * | * | trans | 80.7 | 88.6 | 158.2 | -84.8 | 93.2 | 0 | 0 | 0 | 120 | ||||
| 192 | S | 37.9 | Very low | 49 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | 156.3 | 121.7 | 94.5 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 193 | Q | 54.5 | Low | 49.5 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | -73.4 | 162.3 | 160.3 | -60.4 | -175.1 | -35.4 | 0 | 0 | 109.6 | ||||
| 194 | P | 48.5 | Very low | 49.7 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | -135.4 | 165.2 | 85.7 | 23.7 | -3.2 | 0 | 0 | 0 | 115.1 | |||||
| 195 | A | 55.1 | Low | 49.7 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 159.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 196 | P | 63.9 | Low | 50.4 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 153.4 | 164.1 | 34.9 | -32.6 | 0 | 0 | 0 | 112.2 | ||
| 197 | P | 67.8 | Low | 51 | Low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 150.3 | 171.5 | 32.8 | -33.3 | 0 | 0 | 0 | 111.1 | ||
| 198 | P | 70.7 | Confident | 51.9 | Low | 128 Ų | 128 | 141.5 Ų | 141.5 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 138.9 | 173.4 | 30.8 | -32.1 | 0 | 0 | 0 | 111.7 | ||
| 199 | E | 61.8 | Low | 52.7 | Low | 186 Ų | 186 | 138.9 Ų | 138.9 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 157.5 | 170.1 | -66.2 | -117.9 | 99 | 0 | 0 | 111.7 | ||
| 200 | T | 59.8 | Low | 54.2 | Low | 123 Ų | 123 | 143.9 Ų | 143.9 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 150.3 | -171 | 62.9 | 0 | 0 | 0 | 0 | 116 | ||
| 201 | S | 57.7 | Low | 55.7 | Low | 119 Ų | 119 | 141.3 Ų | 141.3 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | 175.5 | 132.3 | 126.7 | -75.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 202 | D | 50.4 | Low | 57.1 | Low | 247 Ų | 247 | 140.4 Ų | 140.4 | 100% | 1.321 | 84% | 0.844 | S | S | * | * | trans | 66.6 | 0 | 170.5 | -132 | -110.8 | 0 | 0 | 0 | 119.5 |
Retrieved 202 of 202 residues in 71.2 ms
(Link to these results)