| 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 | 44.5 | Very low | 53.3 | Low | 215 Ų | 215 | 156.5 Ų | 156.5 | 100% | 1.059 | 82% | 0.815 | S | S | * | * | 0 | 74.2 | 0 | -72.1 | 176.6 | 147.9 | 0 | 0 | 107.3 | |||||
| 2 | E | 47.1 | Very low | 52.9 | Low | 170 Ų | 170 | 158.9 Ų | 158.9 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | cis | 54.8 | 94.5 | 40 | -51.8 | 155.1 | 125 | 0 | 0 | 112.4 | ||||
| 3 | D | 60.7 | Low | 53 | Low | 158 Ų | 158 | 159.5 Ų | 159.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -127.1 | 81.1 | 155.4 | -83.5 | -68.9 | 0 | 0 | 0 | 107.3 | ||||
| 4 | T | 60.9 | Low | 52.5 | Low | 133 Ų | 133 | 161.5 Ų | 161.5 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | trans | -81.6 | 109.1 | 166 | -56 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 5 | Q | 61.2 | Low | 51.9 | Low | 178 Ų | 178 | 162 Ų | 162 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 120 | 167.8 | -67.1 | -158.5 | -0.7 | 0 | 0 | 109.6 | ||
| 6 | A | 57.8 | Low | 50.9 | Low | 100 Ų | 100 | 163.1 Ų | 163.1 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 127.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 7 | I | 47 | Very low | 50.1 | Low | 158 Ų | 158 | 160 Ų | 160 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 126.2 | 162.2 | 28.4 | 166.5 | 0 | 0 | 0 | 107.5 | ||
| 8 | D | 48.6 | Very low | 49.6 | Very low | 141 Ų | 141 | 159.8 Ų | 159.8 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 133.1 | -177.3 | -157.9 | 17.2 | 0 | 0 | 0 | 110.7 | D10 | D8-D10 VanDerWaalsContact C-N 3.27Å; D8-D10 PolarHBondContact O-N 3.45Å; D8-D10 VanDerWaalsContact O-N 3.15Å |
| 9 | W | 57.2 | Low | 49.2 | Very low | 227 Ų | 227 | 160.9 Ų | 160.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -86.9 | 62.4 | -179.7 | -75.9 | 95.5 | 0 | 0 | 0 | 110.5 | V11 | W9-V11 PolarHBondContact O-N 3.1Š| ||
| 10 | D | 45.2 | Very low | 48.6 | Very low | 129 Ų | 129 | 157.2 Ų | 157.2 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | trans | -79.8 | 80.7 | 160.9 | -81.8 | -52.7 | 0 | 0 | 0 | 108.4 | D8 E12 | D8-D10 VanDerWaalsContact C-N 3.27Å; D8-D10 PolarHBondContact O-N 3.45Å; D8-D10 VanDerWaalsContact O-N 3.15Å; D10-E12 PolarHBondContact O-N 3.31Å | ||
| 11 | V | 55.7 | Low | 48.6 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | trans | -66.3 | 87 | 157.8 | 57.2 | 0 | 0 | 0 | 0 | 107 | W9 E13 | W9-V11 PolarHBondContact O-N 3.1Å; V11-E13 HydrophobicContact CG2-CB 4.35Å; V11-E13 PolarHBondContact O-N 3.12Å | ||
| 12 | E | 49 | Very low | 48.5 | Very low | 186 Ų | 186 | 151.5 Ų | 151.5 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -69.9 | 87.3 | 159.4 | -67.7 | -156.5 | 134.2 | 0 | 0 | 107.3 | D10 E14 | D10-E12 PolarHBondContact O-N 3.31Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.39Å; E12-E14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | E | 53.7 | Low | 48.4 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -70.2 | 80.8 | 170.4 | -172.4 | -171.5 | 152.3 | 0 | 0 | 109.1 | V11 | V11-E13 HydrophobicContact CG2-CB 4.35Å; V11-E13 PolarHBondContact O-N 3.12Å | ||
| 14 | E | 45.9 | Very low | 47.7 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -139.6 | 95.7 | 160.3 | -66.5 | -161.9 | 170.2 | 0 | 0 | 111.4 | E12 | E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.39Å; E12-E14 VanDerWaalsContact O-N 3.1Å | ||
| 15 | E | 43.7 | Very low | 47.3 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 64.1 | 73.3 | 161.5 | -63.5 | -161.9 | 122.8 | 0 | 0 | 118.4 | T17 | E15-T17 PolarHBondContact O-N 3.17Š| ||
| 16 | E | 35.8 | Very low | 46.6 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | -52.4 | 85.8 | 135.9 | -55.8 | -172 | 125.1 | 0 | 0 | 109.6 | E18 | E16-E18 HydrophobicContact CB-CG 4.16Å; E16-E18 PolarHBondContact O-N 3.48Å | ||
| 17 | T | 37.1 | Very low | 46.6 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | trans | -76 | 66.1 | 158 | 32.1 | 0 | 0 | 0 | 0 | 108.5 | E15 Q19 | E15-T17 PolarHBondContact O-N 3.17Å; T17-Q19 PolarHBondContact O-N 3.04Å | ||
| 18 | E | 42 | Very low | 47.7 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -66.3 | 70.6 | 158.8 | -72.3 | -73.9 | 121.3 | 0 | 0 | 108.3 | E16 S20 | E16-E18 HydrophobicContact CB-CG 4.16Å; E16-E18 PolarHBondContact O-N 3.48Å; E18-S20 PolarHBondContact O-N 3.29Å | ||
| 19 | Q | 41.8 | Very low | 49.5 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | -92.6 | 69.3 | 157.4 | -75.3 | -167.1 | -33.8 | 0 | 0 | 108.3 | T17 S21 | T17-Q19 PolarHBondContact O-N 3.04Å; Q19-S21 PolarHBondContact O-N 3.33Å; Q19-S21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | S | 37.6 | Very low | 51.1 | Low | 85 Ų | 85 | 138.7 Ų | 138.7 | 59% | 0.594 | 72% | 0.717 | S | S | * | * | 14.9 | 93.3 | 128.2 | 179.7 | 0 | 0 | 0 | 0 | 113.2 | E18 E22 | E18-S20 PolarHBondContact O-N 3.29Å; S20-E22 PolarHBondContact O-N 3.36Å | |||
| 21 | S | 47.3 | Very low | 53.3 | Low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | 33.2 | 46.4 | 126.1 | 56.8 | 0 | 0 | 0 | 0 | 116.8 | Q19 S23 | Q19-S21 PolarHBondContact O-N 3.33Å; Q19-S21 VanDerWaalsContact O-N 3.16Å; S21-S23 PolarHBondContact O-N 2.93Å | |||
| 22 | E | 43.5 | Very low | 55 | Low | 151 Ų | 151 | 129.2 Ų | 129.2 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -78.8 | 75.1 | 164.2 | -111 | -177.9 | 37.1 | 0 | 0 | 107.1 | S20 L24 | S20-E22 PolarHBondContact O-N 3.36Å; E22-L24 HydrophobicContact CB-CD2 4.5Å; E22-L24 HydrophobicContact CB-CG 3.87Å; E22-L24 VanDerWaalsContact CD-CG 3.49Å; E22-L24 HydrophobicContact CG-CD1 4.23Å; E22-L24 HydrophobicContact CG-CD2 3.65Å; E22-L24 HydrophobicContact CG-CG 3.49Å; E22-L24 VanDerWaalsContact CG-CG 3.49Å; E22-L24 PolarHBondContact O-N 3.24Å; E22-L24 WeakPolarHBondContact OE1-CD1 3.14Å; E22-L24 WeakPolarHBondContact OE1-CG 3.4Å | ||
| 23 | S | 45.4 | Very low | 57.1 | Low | 111 Ų | 111 | 128.1 Ų | 128.1 | 78% | 0.776 | 66% | 0.656 | S | S | * | * | trans | -62.3 | 53.9 | 145.6 | 48.8 | 0 | 0 | 0 | 0 | 109 | S21 R25 | S21-S23 PolarHBondContact O-N 2.93Å; S23-R25 PolarHBondContact O-N 2.76Å | ||
| 24 | L | 45.5 | Very low | 59 | Low | 99 Ų | 99 | 122.2 Ų | 122.2 | 52% | 0.518 | 63% | 0.629 | S | S | . | * | trans | -64.2 | 95.4 | 159.2 | -66.6 | -167.8 | 0 | 0 | 0 | 104.8 | E22 C26 | E22-L24 HydrophobicContact CB-CD2 4.5Å; E22-L24 HydrophobicContact CB-CG 3.87Å; E22-L24 VanDerWaalsContact CD-CG 3.49Å; E22-L24 HydrophobicContact CG-CD1 4.23Å; E22-L24 HydrophobicContact CG-CD2 3.65Å; E22-L24 HydrophobicContact CG-CG 3.49Å; E22-L24 VanDerWaalsContact CG-CG 3.49Å; E22-L24 PolarHBondContact O-N 3.24Å; E22-L24 WeakPolarHBondContact OE1-CD1 3.14Å; E22-L24 WeakPolarHBondContact OE1-CG 3.4Å; L24-C26 VanDerWaalsContact CB-SG 3.5Å; L24-C26 PolarHBondContact O-N 2.77Å; L24-C26 PolarHBondContact O-SG 2.86Å | ||
| 25 | R | 51.4 | Low | 61.4 | Low | 228 Ų | 228 | 116.1 Ų | 116.1 | 86% | 0.86 | 60% | 0.601 | S | S | * | * | trans | -59.1 | 79.1 | 137.7 | -67.9 | -169.5 | 175.6 | -151.6 | 0.6 | 106 | S23 N27 | S23-R25 PolarHBondContact O-N 2.76Å; R25-N27 PolarHBondContact O-N 3.35Å | ||
| 26 | C | 47.2 | Very low | 63.7 | Low | 69 Ų | 69 | 110.3 Ų | 110.3 | 47% | 0.466 | 58% | 0.575 | S | S | . | * | trans | -54 | 109.8 | 166.2 | -42.5 | 0 | 0 | 0 | 0 | 103.7 | L24 V28 | L24-C26 VanDerWaalsContact CB-SG 3.5Å; L24-C26 PolarHBondContact O-N 2.77Å; L24-C26 PolarHBondContact O-SG 2.86Å; C26-V28 HydrophobicContact CB-CB 4.17Å; C26-V28 HydrophobicContact CB-CG2 3.67Å; C26-V28 PolarHBondContact O-N 2.81Å | ||
| 27 | N | 57.1 | Low | 66.4 | Low | 174 Ų | 174 | 109.6 Ų | 109.6 | 93% | 0.93 | 57% | 0.569 | S | S | * | * | trans | -71.6 | 53.1 | 169.1 | -92.1 | -69.4 | 0 | 0 | 0 | 108.4 | R25 | R25-N27 PolarHBondContact O-N 3.35Š| ||
| 28 | V | 71.2 | Confident | 69.1 | Low | 67 Ų | 67 | 108 Ų | 108 | 41% | 0.406 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -97.6 | 130.7 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 105 | C26 H50 | C26-V28 HydrophobicContact CB-CB 4.17Å; C26-V28 HydrophobicContact CB-CG2 3.67Å; C26-V28 PolarHBondContact O-N 2.81Å; V28-H50 HydrophobicContact CG1-CB 4.5Å; V28-H50 PolarHBondContact O-CD2 2.93Å; V28-H50 VanDerWaalsContact O-CD2 3.24Å |
| 29 | E | 86 | Confident | 71.4 | Confident | 171 Ų | 171 | 103 Ų | 103 | 80% | 0.799 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 135 | 176.8 | -79.5 | -178 | 140.6 | 0 | 0 | 109.8 | V31 | E29-V31 PolarHBondContact O-N 2.75Š|
| 30 | P | 90.6 | Very high | 73.6 | Confident | 77 Ų | 77 | 99.4 Ų | 99.4 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 127.6 | 177.7 | 26 | -33.1 | 0 | 0 | 0 | 109.6 | P48 L49 | P30-P48 HydrophobicContact CB-CB 3.7Å; P30-P48 HydrophobicContact CG-CB 4.48Å; P30-L49 CarbonylContact C-O 3.56Å; P30-L49 VanDerWaalsContact CA-O 3.32Å; P30-L49 WeakPolarHBondContact CA-O 3.42Å |
| 31 | V | 91.6 | Very high | 75.9 | Confident | 23 Ų | 23 | 100.8 Ų | 100.8 | 14% | 0.139 | 55% | 0.551 | C | S | . | * | trans | -90 | -10.2 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | E29 L49 L51 I80 W83 | E29-V31 PolarHBondContact O-N 2.75Å; V31-L49 PolarHBondContact N-O 2.82Å; V31-L51 HydrophobicContact CG1-CD1 4.13Å; V31-L51 HydrophobicContact CG1-CD2 4.29Å; V31-L51 HydrophobicContact CG1-CG 3.7Å; V31-L51 HydrophobicContact CG2-CD2 4.43Å; V31-L51 HydrophobicContact CG2-CG 4.24Å; V31-I80 HydrophobicContact CG2-CB 4.46Å; V31-I80 HydrophobicContact CG2-CD1 3.77Å; V31-I80 HydrophobicContact CG2-CG2 3.96Å; V31-W83 HydrophobicContact CB-CE3 3.68Å; V31-W83 HydrophobicContact CB-CZ3 3.96Å; V31-W83 HydrophobicContact CG1-CE3 3.86Å; V31-W83 HydrophobicContact CG1-CZ3 4.33Å; V31-W83 WeakPolarHBondContact O-CZ3 3.33Å | ||
| 32 | G | 90.9 | Very high | 77.9 | Confident | 20 Ų | 20 | 97.5 Ų | 97.5 | 21% | 0.206 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | -176.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L49 | G32-L49 PolarHBondContact N-O 3.36Å; G32-L49 PolarHBondContact O-N 2.8Å |
| 33 | R | 94.1 | Very high | 80.2 | Confident | 163 Ų | 163 | 95.7 Ų | 95.7 | 62% | 0.615 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 130.6 | 178.9 | -166.1 | 166.5 | 74.3 | -163.3 | -5.4 | 110.2 | D46 F47 | R33-D46 WeakPolarHBondContact CD-OD1 2.91Å; R33-D46 HydrophobicContact CG-CB 3.96Å; R33-D46 IonicContact CZ-OD1 3.86Å; R33-D46 IonicContact NE-OD1 3.04Å; R33-D46 PolarHBondContact NE-OD1 3.22Å; R33-F47 CarbonylContact C-O 3.43Å; R33-F47 WeakPolarHBondContact CA-O 3.09Å |
| 34 | L | 94.2 | Very high | 82.5 | Confident | 42 Ų | 42 | 96 Ų | 96 | 22% | 0.22 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.1 | 168.8 | -179.4 | 66.2 | 0 | 0 | 0 | 108.5 | I36 D46 F47 L49 V56 V64 I78 | L34-I36 HydrophobicContact CD2-CD1 4.24Å; L34-I36 HydrophobicContact CG-CD1 4.18Å; L34-D46 CarbonylContact O-C 3.59Å; L34-D46 WeakPolarHBondContact O-CA 3.15Å; L34-F47 HydrophobicContact CB-CB 4.41Å; L34-F47 PolarHBondContact N-O 3.25Å; L34-F47 PolarHBondContact O-N 2.84Å; L34-L49 HydrophobicContact CB-CD1 4.19Å; L34-L49 HydrophobicContact CB-CD2 4.07Å; L34-L49 HydrophobicContact CB-CG 4.13Å; L34-V56 HydrophobicContact CD2-CG2 4.24Å; L34-V64 HydrophobicContact CD2-CB 4.34Å; L34-V64 HydrophobicContact CD2-CG1 3.75Å; L34-V64 HydrophobicContact CD2-CG2 3.94Å; L34-I78 HydrophobicContact CD1-CD1 4.4Å; L34-I78 HydrophobicContact CD2-CD1 4.25Å |
| 35 | H | 94.6 | Very high | 84.8 | Confident | 60 Ų | 60 | 96.3 Ų | 96.3 | 28% | 0.278 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.3 | 178.2 | -171.4 | 78 | 0 | 0 | 0 | 110 | F37 D46 | H35-F37 AromaticContact CD2-CD1 3.64Å; H35-F37 AromaticContact CD2-CE1 3.62Å; H35-F37 AromaticContact NE2-CD1 3.89Å; H35-D46 WeakPolarHBondContact CB-OD1 3.32Å; H35-D46 IonicContact CE1-OD1 2.77Å; H35-D46 IonicContact CE1-OD2 3.35Å; H35-D46 IonicContact CG-OD1 2.75Å; H35-D46 VanDerWaalsContact ND1-CG 3.28Å; H35-D46 IonicContact ND1-OD1 3.48Å; H35-D46 PolarHBondContact ND1-OD1 2.76Å; H35-D46 IonicContact ND1-OD2 3.92Å; H35-D46 PolarHBondContact ND1-OD2 2.86Å |
| 36 | I | 93.1 | Very high | 86.8 | Confident | 47 Ų | 47 | 88.7 Ų | 88.7 | 24% | 0.241 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.5 | 172.5 | -52.4 | -56.6 | 0 | 0 | 0 | 107.3 | L34 E44 K45 F47 L66 | L34-I36 HydrophobicContact CD2-CD1 4.24Å; L34-I36 HydrophobicContact CG-CD1 4.18Å; I36-E44 CarbonylContact O-C 3.46Å; I36-E44 WeakPolarHBondContact O-CA 3.36Å; I36-E44 VanDerWaalsContact O-CB 3.32Å; I36-E44 WeakPolarHBondContact O-CB 3.32Å; I36-K45 HydrophobicContact CB-CB 4.41Å; I36-K45 WeakPolarHBondContact CB-O 3.14Å; I36-K45 PolarHBondContact N-O 2.77Å; I36-K45 PolarHBondContact O-N 3.3Å; I36-F47 HydrophobicContact CG1-CD2 3.98Å; I36-F47 HydrophobicContact CG1-CE2 3.7Å; I36-L66 HydrophobicContact CD1-CD1 4.17Å; I36-L66 HydrophobicContact CD1-CD2 4.33Å; I36-L66 HydrophobicContact CG1-CD2 4.01Å |
| 37 | F | 92.8 | Very high | 89 | Confident | 164 Ų | 164 | 86.3 Ų | 86.3 | 72% | 0.719 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -68 | 150.8 | 178.5 | -63.1 | -72.4 | 0 | 0 | 0 | 111.9 | H35 | H35-F37 AromaticContact CD2-CD1 3.64Å; H35-F37 AromaticContact CD2-CE1 3.62Å; H35-F37 AromaticContact NE2-CD1 3.89Å |
| 38 | S | 93.3 | Very high | 90.7 | Very high | 76 Ų | 76 | 81.2 Ų | 81.2 | 53% | 0.531 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -59 | 142.5 | 171.3 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | G42 | S38-G42 WeakPolarHBondContact CA-O 3.34Š|
| 39 | G | 90.2 | Very high | 91.7 | Very high | 52 Ų | 52 | 78.7 Ų | 78.7 | 54% | 0.536 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -171.8 | -155.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H41 G42 | G39-H41 PolarHBondContact O-N 3.25Å; G39-G42 PolarHBondContact N-O 2.82Å; G39-G42 PolarHBondContact O-N 2.93Å; G39-G42 VanDerWaalsContact O-N 3.09Å |
| 40 | A | 89 | Confident | 92 | Very high | 106 Ų | 106 | 73 Ų | 73 | 88% | 0.876 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 41 | H | 84.8 | Confident | 92 | Very high | 115 Ų | 115 | 73.5 Ų | 73.5 | 53% | 0.532 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -0.7 | -176.9 | -58.3 | -51.2 | 0 | 0 | 0 | 113.7 | G39 F68 | G39-H41 PolarHBondContact O-N 3.25Å; H41-F68 HydrophobicContact CB-CD1 3.98Å; H41-F68 HydrophobicContact CB-CD2 4.29Å; H41-F68 HydrophobicContact CB-CE1 3.67Å; H41-F68 HydrophobicContact CB-CE2 4Å; H41-F68 HydrophobicContact CB-CG 4.28Å; H41-F68 HydrophobicContact CB-CZ 3.68Å; H41-F68 VanDerWaalsContact O-CE1 3.3Å; H41-F68 WeakPolarHBondContact O-CE1 3.48Å; H41-F68 WeakPolarHBondContact O-CZ 3.47Å |
| 42 | G | 88.9 | Confident | 92 | Very high | 32 Ų | 32 | 73.9 Ų | 73.9 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | 129.2 | -167.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | S38 G39 | S38-G42 WeakPolarHBondContact CA-O 3.34Å; G39-G42 PolarHBondContact N-O 2.82Å; G39-G42 PolarHBondContact O-N 2.93Å; G39-G42 VanDerWaalsContact O-N 3.09Å |
| 43 | P | 93.1 | Very high | 92.1 | Very high | 114 Ų | 114 | 78.9 Ų | 78.9 | 74% | 0.74 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -67.1 | 167.6 | 176.1 | 31.2 | -35.8 | 0 | 0 | 0 | 111.4 | ||
| 44 | E | 94.1 | Very high | 92 | Very high | 118 Ų | 118 | 71.2 Ų | 71.2 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | trans | -62 | 151.5 | 173.1 | 64.8 | -166.6 | -151.3 | 0 | 0 | 112 | I36 | I36-E44 CarbonylContact O-C 3.46Å; I36-E44 WeakPolarHBondContact O-CA 3.36Å; I36-E44 VanDerWaalsContact O-CB 3.32Å; I36-E44 WeakPolarHBondContact O-CB 3.32Å | ||
| 45 | K | 93.3 | Very high | 92 | Very high | 104 Ų | 104 | 70.9 Ų | 70.9 | 45% | 0.452 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 135.1 | -176.4 | -171.3 | 173.8 | 173.3 | -171.4 | 0 | 111.2 | I36 F47 | I36-K45 HydrophobicContact CB-CB 4.41Å; I36-K45 WeakPolarHBondContact CB-O 3.14Å; I36-K45 PolarHBondContact N-O 2.77Å; I36-K45 PolarHBondContact O-N 3.3Å; K45-F47 HydrophobicContact CB-CE2 4.12Å; K45-F47 HydrophobicContact CD-CE1 4.29Å; K45-F47 HydrophobicContact CD-CE2 3.58Å; K45-F47 HydrophobicContact CD-CZ 3.43Å; K45-F47 VanDerWaalsContact CD-CZ 3.43Å; K45-F47 HydrophobicContact CG-CD2 4.24Å; K45-F47 HydrophobicContact CG-CE2 3.62Å; K45-F47 HydrophobicContact CG-CZ 3.96Å; K45-F47 VanDerWaalsContact NZ-CZ 3.28Å |
| 46 | D | 93.6 | Very high | 92 | Very high | 69 Ų | 69 | 68.6 Ų | 68.6 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 141.8 | 175.6 | -74.2 | -70 | 0 | 0 | 0 | 112 | R33 L34 H35 | R33-D46 WeakPolarHBondContact CD-OD1 2.91Å; R33-D46 HydrophobicContact CG-CB 3.96Å; R33-D46 IonicContact CZ-OD1 3.86Å; R33-D46 IonicContact NE-OD1 3.04Å; R33-D46 PolarHBondContact NE-OD1 3.22Å; L34-D46 CarbonylContact O-C 3.59Å; L34-D46 WeakPolarHBondContact O-CA 3.15Å; H35-D46 WeakPolarHBondContact CB-OD1 3.32Å; H35-D46 IonicContact CE1-OD1 2.77Å; H35-D46 IonicContact CE1-OD2 3.35Å; H35-D46 IonicContact CG-OD1 2.75Å; H35-D46 VanDerWaalsContact ND1-CG 3.28Å; H35-D46 IonicContact ND1-OD1 3.48Å; H35-D46 PolarHBondContact ND1-OD1 2.76Å; H35-D46 IonicContact ND1-OD2 3.92Å; H35-D46 PolarHBondContact ND1-OD2 2.86Å |
| 47 | F | 92.9 | Very high | 92 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.9 | 174 | -64.1 | -98 | 0 | 0 | 0 | 110.9 | R33 L34 I36 K45 V64 L66 | R33-F47 CarbonylContact C-O 3.43Å; R33-F47 WeakPolarHBondContact CA-O 3.09Å; L34-F47 HydrophobicContact CB-CB 4.41Å; L34-F47 PolarHBondContact N-O 3.25Å; L34-F47 PolarHBondContact O-N 2.84Å; I36-F47 HydrophobicContact CG1-CD2 3.98Å; I36-F47 HydrophobicContact CG1-CE2 3.7Å; K45-F47 HydrophobicContact CB-CE2 4.12Å; K45-F47 HydrophobicContact CD-CE1 4.29Å; K45-F47 HydrophobicContact CD-CE2 3.58Å; K45-F47 HydrophobicContact CD-CZ 3.43Å; K45-F47 VanDerWaalsContact CD-CZ 3.43Å; K45-F47 HydrophobicContact CG-CD2 4.24Å; K45-F47 HydrophobicContact CG-CE2 3.62Å; K45-F47 HydrophobicContact CG-CZ 3.96Å; K45-F47 VanDerWaalsContact NZ-CZ 3.28Å; F47-V64 HydrophobicContact CB-CG1 4.15Å; F47-V64 HydrophobicContact CB-CG2 4.03Å; F47-V64 HydrophobicContact CD1-CB 4.41Å; F47-V64 HydrophobicContact CD1-CG1 3.86Å; F47-V64 HydrophobicContact CD2-CG1 3.81Å; F47-V64 HydrophobicContact CE1-CG1 4.07Å; F47-V64 HydrophobicContact CE2-CG1 4.04Å; F47-V64 HydrophobicContact CG-CB 4.46Å; F47-V64 HydrophobicContact CG-CG1 3.69Å; F47-V64 HydrophobicContact CG-CG2 4.4Å; F47-V64 HydrophobicContact CZ-CG1 4.12Å; F47-L66 HydrophobicContact CE2-CD2 3.61Å; F47-L66 HydrophobicContact CZ-CD2 3.57Å |
| 48 | P | 93.5 | Very high | 92 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 138.2 | 173.7 | 27.2 | -31.7 | 0 | 0 | 0 | 111.1 | P30 | P30-P48 HydrophobicContact CB-CB 3.7Å; P30-P48 HydrophobicContact CG-CB 4.48Å |
| 49 | L | 91.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.8 | 170.9 | -62.5 | 176.7 | 0 | 0 | 0 | 109.5 | P30 V31 G32 L34 N54 V64 I78 I80 | P30-L49 CarbonylContact C-O 3.56Å; P30-L49 VanDerWaalsContact CA-O 3.32Å; P30-L49 WeakPolarHBondContact CA-O 3.42Å; V31-L49 PolarHBondContact N-O 2.82Å; G32-L49 PolarHBondContact N-O 3.36Å; G32-L49 PolarHBondContact O-N 2.8Å; L34-L49 HydrophobicContact CB-CD1 4.19Å; L34-L49 HydrophobicContact CB-CD2 4.07Å; L34-L49 HydrophobicContact CB-CG 4.13Å; L49-N54 HydrophobicContact CD2-CB 3.94Å; L49-V64 HydrophobicContact CD2-CG2 4.3Å; L49-I78 HydrophobicContact CD2-CD1 4.33Å; L49-I80 HydrophobicContact CB-CD1 3.76Å; L49-I80 HydrophobicContact CD1-CD1 4.22Å |
| 50 | H | 91.4 | Very high | 91.8 | Very high | 50 Ų | 50 | 65.7 Ų | 65.7 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | trans | -112.2 | 165.9 | -179.1 | -51.7 | 92 | 0 | 0 | 0 | 110.7 | V28 N54 | V28-H50 HydrophobicContact CG1-CB 4.5Å; V28-H50 PolarHBondContact O-CD2 2.93Å; V28-H50 VanDerWaalsContact O-CD2 3.24Å; H50-N54 PolarHBondContact N-OD1 2.85Å; H50-N54 PolarHBondContact O-ND2 2.77Å | ||
| 51 | L | 91.6 | Very high | 91.8 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 47% | 0.466 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -61.6 | 146.1 | 169.7 | -76.3 | 166.1 | 0 | 0 | 0 | 110.6 | V31 I80 | V31-L51 HydrophobicContact CG1-CD1 4.13Å; V31-L51 HydrophobicContact CG1-CD2 4.29Å; V31-L51 HydrophobicContact CG1-CG 3.7Å; V31-L51 HydrophobicContact CG2-CD2 4.43Å; V31-L51 HydrophobicContact CG2-CG 4.24Å; L51-I80 HydrophobicContact CD2-CG2 4.01Å |
| 52 | G | 91.6 | Very high | 92 | Very high | 31 Ų | 31 | 62.1 Ų | 62.1 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.3 | -146.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N54 E79 I80 | G52-N54 PolarHBondContact O-ND2 2.83Å; G52-E79 WeakPolarHBondContact O-CA 3.45Å; G52-I80 PolarHBondContact N-O 2.82Å; G52-I80 PolarHBondContact O-N 2.87Å |
| 53 | K | 91.9 | Very high | 92.1 | Very high | 124 Ų | 124 | 63.6 Ų | 63.6 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122.1 | -168.2 | -63.1 | 169.9 | 160.2 | -114.9 | 0 | 110.7 | E77 E79 | K53-E77 HydrophobicContact CB-CG 4.38Å; K53-E77 WeakPolarHBondContact CB-OE1 3.32Å; K53-E77 WeakPolarHBondContact CD-OE1 3.16Å; K53-E77 VanDerWaalsContact CE-OE1 3.24Å; K53-E77 WeakPolarHBondContact CE-OE1 3.39Å; K53-E77 WeakPolarHBondContact CG-OE1 3.32Å; K53-E77 IonicContact NZ-OE1 3.96Å; K53-E77 PolarHBondContact NZ-OE1 3.49Å; K53-E77 IonicContact NZ-OE2 3.85Å; K53-E79 HydrophobicContact CG-CG 4.34Å |
| 54 | N | 93.1 | Very high | 92 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.1 | 176.1 | -58.6 | -96.9 | 0 | 0 | 0 | 108.4 | L49 H50 G52 I78 | L49-N54 HydrophobicContact CD2-CB 3.94Å; H50-N54 PolarHBondContact N-OD1 2.85Å; H50-N54 PolarHBondContact O-ND2 2.77Å; G52-N54 PolarHBondContact O-ND2 2.83Å; N54-I78 HydrophobicContact CB-CB 4.3Å; N54-I78 WeakPolarHBondContact CB-O 3.47Å; N54-I78 PolarHBondContact N-O 3.42Å; N54-I78 PolarHBondContact ND2-O 3.13Å; N54-I78 PolarHBondContact O-N 2.84Å |
| 55 | V | 93.6 | Very high | 92 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 128.3 | -178.7 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | C62 S63 V64 Q74 | V55-C62 HydrophobicContact CG1-CB 4.45Å; V55-C62 WeakPolarHBondContact O-CB 3.47Å; V55-S63 PolarHBondContact N-OG 3.18Å; V55-S63 PolarHBondContact O-N 3.24Å; V55-S63 VanDerWaalsContact O-N 3.12Å; V55-V64 PolarHBondContact O-N 2.78Å; V55-Q74 HydrophobicContact CG1-CB 4.37Å; V55-Q74 HydrophobicContact CG1-CG 4.14Å |
| 56 | V | 93.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.7 | 173.4 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | L34 V64 L66 H75 A76 I78 | L34-V56 HydrophobicContact CD2-CG2 4.24Å; V56-V64 HydrophobicContact CB-CB 4.36Å; V56-V64 HydrophobicContact CG1-CB 4.28Å; V56-V64 HydrophobicContact CG1-CG1 4.18Å; V56-V64 HydrophobicContact CG2-CB 4.02Å; V56-V64 HydrophobicContact CG2-CG2 4.23Å; V56-L66 HydrophobicContact CG1-CD1 3.89Å; V56-H75 WeakPolarHBondContact O-CA 3.41Å; V56-H75 WeakPolarHBondContact O-CB 3.46Å; V56-H75 PolarHBondContact O-N 3.24Å; V56-A76 PolarHBondContact N-O 3.44Å; V56-A76 PolarHBondContact O-N 3.18Å; V56-A76 VanDerWaalsContact O-N 3.13Å; V56-I78 HydrophobicContact CG2-CD1 3.99Å; V56-I78 HydrophobicContact CG2-CG1 4.4Å |
| 57 | G | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.4 | 176.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | V64 A65 L66 K73 | G57-V64 PolarHBondContact N-O 2.87Å; G57-V64 VanDerWaalsContact N-O 3.1Å; G57-A65 WeakPolarHBondContact O-CA 3.3Å; G57-L66 PolarHBondContact O-N 2.75Å; G57-K73 CarbonylContact C-O 3.6Å; G57-K73 WeakPolarHBondContact CA-O 3.41Å |
| 58 | R | 92.7 | Very high | 91.6 | Very high | 102 Ų | 102 | 52.5 Ų | 52.5 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -78.1 | -24.3 | 178.8 | -170.8 | 179.7 | 72.5 | -163.2 | 5.1 | 113.1 | L66 F68 I71 S72 K73 | R58-L66 VanDerWaalsContact CA-O 3.32Å; R58-L66 WeakPolarHBondContact CA-O 3.47Å; R58-F68 WeakPolarHBondContact CD-O 3.24Å; R58-I71 HydrophobicContact CB-CB 4.47Å; R58-I71 WeakPolarHBondContact CB-O 3.06Å; R58-S72 WeakPolarHBondContact CB-O 3.49Å; R58-S72 PolarHBondContact N-O 3.09Å; R58-K73 PolarHBondContact N-O 3.02Å |
| 59 | M | 90.9 | Very high | 91.3 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -68 | 142.4 | -179.7 | -73.3 | -178.6 | 58.6 | 0 | 0 | 110.8 | D61 C62 K73 | M59-D61 WeakPolarHBondContact CE-OD2 3.47Å; M59-D61 PolarHBondContact O-N 3.1Å; M59-C62 WeakPolarHBondContact O-CB 3.47Å; M59-C62 PolarHBondContact O-N 2.82Å; M59-K73 HydrophobicContact CG-CB 3.99Å; M59-K73 HydrophobicContact CG-CG 4.26Å; M59-K73 PolarHBondContact N-O 2.94Å; M59-K73 HydrophobicContact SD-CB 3.88Å; M59-K73 HydrophobicContact SD-CD 4.22Å; M59-K73 HydrophobicContact SD-CG 4.26Å |
| 60 | P | 89.3 | Confident | 91 | Very high | 106 Ų | 106 | 56.3 Ų | 56.3 | 69% | 0.688 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.7 | 176.7 | 29.2 | -34.9 | 0 | 0 | 0 | 112.4 | C62 | P60-C62 PolarHBondContact O-N 3.44Š|
| 61 | D | 88.6 | Confident | 90.9 | Very high | 131 Ų | 131 | 55.4 Ų | 55.4 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.6 | -179.3 | -41.7 | -44.7 | 0 | 0 | 0 | 112.2 | M59 | M59-D61 WeakPolarHBondContact CE-OD2 3.47Å; M59-D61 PolarHBondContact O-N 3.1Å |
| 62 | C | 89.8 | Confident | 90.7 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 11% | 0.108 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -72.9 | 146.5 | 175.3 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | V55 M59 P60 V64 K73 | V55-C62 HydrophobicContact CG1-CB 4.45Å; V55-C62 WeakPolarHBondContact O-CB 3.47Å; M59-C62 WeakPolarHBondContact O-CB 3.47Å; M59-C62 PolarHBondContact O-N 2.82Å; P60-C62 PolarHBondContact O-N 3.44Å; C62-V64 PolarHBondContact O-N 2.92Å; C62-K73 PolarHBondContact SG-O 3.12Å |
| 63 | S | 90.4 | Very high | 90.7 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 44% | 0.441 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -55.3 | -39.2 | 173.6 | -42.6 | 0 | 0 | 0 | 0 | 111.8 | V55 | V55-S63 PolarHBondContact N-OG 3.18Å; V55-S63 PolarHBondContact O-N 3.24Å; V55-S63 VanDerWaalsContact O-N 3.12Å |
| 64 | V | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 91.3 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | L34 F47 L49 V55 V56 G57 C62 L66 | L34-V64 HydrophobicContact CD2-CB 4.34Å; L34-V64 HydrophobicContact CD2-CG1 3.75Å; L34-V64 HydrophobicContact CD2-CG2 3.94Å; F47-V64 HydrophobicContact CB-CG1 4.15Å; F47-V64 HydrophobicContact CB-CG2 4.03Å; F47-V64 HydrophobicContact CD1-CB 4.41Å; F47-V64 HydrophobicContact CD1-CG1 3.86Å; F47-V64 HydrophobicContact CD2-CG1 3.81Å; F47-V64 HydrophobicContact CE1-CG1 4.07Å; F47-V64 HydrophobicContact CE2-CG1 4.04Å; F47-V64 HydrophobicContact CG-CB 4.46Å; F47-V64 HydrophobicContact CG-CG1 3.69Å; F47-V64 HydrophobicContact CG-CG2 4.4Å; F47-V64 HydrophobicContact CZ-CG1 4.12Å; L49-V64 HydrophobicContact CD2-CG2 4.3Å; V55-V64 PolarHBondContact O-N 2.78Å; V56-V64 HydrophobicContact CB-CB 4.36Å; V56-V64 HydrophobicContact CG1-CB 4.28Å; V56-V64 HydrophobicContact CG1-CG1 4.18Å; V56-V64 HydrophobicContact CG2-CB 4.02Å; V56-V64 HydrophobicContact CG2-CG2 4.23Å; G57-V64 PolarHBondContact N-O 2.87Å; G57-V64 VanDerWaalsContact N-O 3.1Å; C62-V64 PolarHBondContact O-N 2.92Å; V64-L66 HydrophobicContact CG1-CD2 4.25Å; V64-L66 HydrophobicContact CG1-CG 4.12Å; V64-L66 PolarHBondContact O-N 2.84Å |
| 65 | A | 92.9 | Very high | 90.5 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 21% | 0.207 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 112.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G57 P67 | G57-A65 WeakPolarHBondContact O-CA 3.3Å; A65-P67 WeakPolarHBondContact O-CD 3.49Å |
| 66 | L | 90.9 | Very high | 90.4 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | trans | -114.5 | 89.7 | 174.9 | -60.7 | -179.3 | 0 | 0 | 0 | 109.1 | I36 F47 V56 G57 R58 V64 F68 I71 | I36-L66 HydrophobicContact CD1-CD1 4.17Å; I36-L66 HydrophobicContact CD1-CD2 4.33Å; I36-L66 HydrophobicContact CG1-CD2 4.01Å; F47-L66 HydrophobicContact CE2-CD2 3.61Å; F47-L66 HydrophobicContact CZ-CD2 3.57Å; V56-L66 HydrophobicContact CG1-CD1 3.89Å; G57-L66 PolarHBondContact O-N 2.75Å; R58-L66 VanDerWaalsContact CA-O 3.32Å; R58-L66 WeakPolarHBondContact CA-O 3.47Å; V64-L66 HydrophobicContact CG1-CD2 4.25Å; V64-L66 HydrophobicContact CG1-CG 4.12Å; V64-L66 PolarHBondContact O-N 2.84Å; L66-F68 HydrophobicContact CB-CD2 3.96Å; L66-F68 HydrophobicContact CB-CE2 4.21Å; L66-F68 HydrophobicContact CD2-CE2 4.35Å; L66-F68 PolarHBondContact O-N 2.81Å; L66-I71 HydrophobicContact CB-CG1 4.45Å | ||
| 67 | P | 90.6 | Very high | 90.3 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | trans | -76 | 53.3 | -171.2 | 33.7 | -37.8 | 0 | 0 | 0 | 112.5 | A65 | A65-P67 WeakPolarHBondContact O-CD 3.49Š| ||
| 68 | F | 89.2 | Confident | 90.3 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 24% | 0.237 | 32% | 0.323 | C | S | . | . | trans | -109.7 | 137.4 | 178.7 | -53.9 | -55.9 | 0 | 0 | 0 | 110.2 | H41 R58 L66 S70 I71 | H41-F68 HydrophobicContact CB-CD1 3.98Å; H41-F68 HydrophobicContact CB-CD2 4.29Å; H41-F68 HydrophobicContact CB-CE1 3.67Å; H41-F68 HydrophobicContact CB-CE2 4Å; H41-F68 HydrophobicContact CB-CG 4.28Å; H41-F68 HydrophobicContact CB-CZ 3.68Å; H41-F68 VanDerWaalsContact O-CE1 3.3Å; H41-F68 WeakPolarHBondContact O-CE1 3.48Å; H41-F68 WeakPolarHBondContact O-CZ 3.47Å; R58-F68 WeakPolarHBondContact CD-O 3.24Å; L66-F68 HydrophobicContact CB-CD2 3.96Å; L66-F68 HydrophobicContact CB-CE2 4.21Å; L66-F68 HydrophobicContact CD2-CE2 4.35Å; L66-F68 PolarHBondContact O-N 2.81Å; F68-S70 PolarHBondContact O-N 3.16Å; F68-I71 HydrophobicContact CB-CG1 4.08Å; F68-I71 HydrophobicContact CD2-CG1 4.45Å; F68-I71 PolarHBondContact O-N 2.86Å; F68-I71 VanDerWaalsContact O-N 3.09Å | ||
| 69 | P | 87.5 | Confident | 90.3 | Very high | 113 Ų | 113 | 55.9 Ų | 55.9 | 73% | 0.734 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.6 | -176.6 | 25.7 | -34 | 0 | 0 | 0 | 113.5 | I71 | P69-I71 PolarHBondContact O-N 2.67Š|
| 70 | S | 87.1 | Confident | 90.4 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 33% | 0.329 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.9 | 175.7 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | F68 N96 | F68-S70 PolarHBondContact O-N 3.16Å; S70-N96 PolarHBondContact O-ND2 3.36Å; S70-N96 VanDerWaalsContact O-ND2 3.13Å |
| 71 | I | 88.4 | Confident | 90.4 | Very high | 32 Ų | 32 | 53 Ų | 53 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -98.4 | 136 | 178.9 | -55.1 | -62.7 | 0 | 0 | 0 | 108.8 | R58 L66 F68 P69 H75 | R58-I71 HydrophobicContact CB-CB 4.47Å; R58-I71 WeakPolarHBondContact CB-O 3.06Å; L66-I71 HydrophobicContact CB-CG1 4.45Å; F68-I71 HydrophobicContact CB-CG1 4.08Å; F68-I71 HydrophobicContact CD2-CG1 4.45Å; F68-I71 PolarHBondContact O-N 2.86Å; F68-I71 VanDerWaalsContact O-N 3.09Å; P69-I71 PolarHBondContact O-N 2.67Å; I71-H75 HydrophobicContact CG2-CB 3.71Å |
| 72 | S | 87.9 | Confident | 90.4 | Very high | 27 Ų | 27 | 48 Ų | 48 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | trans | -66.5 | 160.9 | 176.2 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | R58 Q74 | R58-S72 WeakPolarHBondContact CB-O 3.49Å; R58-S72 PolarHBondContact N-O 3.09Å; S72-Q74 VanDerWaalsContact C-N 3.3Å; S72-Q74 WeakPolarHBondContact CB-O 3.06Å; S72-Q74 PolarHBondContact O-N 3.26Å | ||
| 73 | K | 90.1 | Very high | 90.2 | Very high | 134 Ų | 134 | 55.5 Ų | 55.5 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -50.7 | -52.3 | 174.1 | -71 | -176.9 | -177.9 | 179.8 | 0 | 111.2 | G57 R58 M59 C62 | G57-K73 CarbonylContact C-O 3.6Å; G57-K73 WeakPolarHBondContact CA-O 3.41Å; R58-K73 PolarHBondContact N-O 3.02Å; M59-K73 HydrophobicContact CG-CB 3.99Å; M59-K73 HydrophobicContact CG-CG 4.26Å; M59-K73 PolarHBondContact N-O 2.94Å; M59-K73 HydrophobicContact SD-CB 3.88Å; M59-K73 HydrophobicContact SD-CD 4.22Å; M59-K73 HydrophobicContact SD-CG 4.26Å; C62-K73 PolarHBondContact SG-O 3.12Å |
| 74 | Q | 89.7 | Confident | 90 | Very high | 119 Ų | 119 | 58.6 Ų | 58.6 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -120 | 114.9 | 165.2 | -65.8 | 175.8 | -24.4 | 0 | 0 | 106.3 | V55 S72 | V55-Q74 HydrophobicContact CG1-CB 4.37Å; V55-Q74 HydrophobicContact CG1-CG 4.14Å; S72-Q74 VanDerWaalsContact C-N 3.3Å; S72-Q74 WeakPolarHBondContact CB-O 3.06Å; S72-Q74 PolarHBondContact O-N 3.26Å |
| 75 | H | 91 | Very high | 89.9 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 12% | 0.12 | 33% | 0.332 | C | S | . | . | trans | -101.6 | -51.7 | -171.7 | -172.5 | 84.2 | 0 | 0 | 0 | 110.7 | V56 I71 C92 S94 | V56-H75 WeakPolarHBondContact O-CA 3.41Å; V56-H75 WeakPolarHBondContact O-CB 3.46Å; V56-H75 PolarHBondContact O-N 3.24Å; I71-H75 HydrophobicContact CG2-CB 3.71Å; H75-C92 PolarHBondContact O-N 2.84Å; H75-S94 WeakPolarHBondContact CE1-CB 3.2Å; H75-S94 PolarHBondContact CE1-OG 2.73Å; H75-S94 VanDerWaalsContact CE1-OG 3.25Å; H75-S94 WeakPolarHBondContact ND1-CB 3.38Å | ||
| 76 | A | 92.3 | Very high | 89.7 | Confident | 8 Ų | 8 | 67 Ų | 67 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 163.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V56 L89 R90 | V56-A76 PolarHBondContact N-O 3.44Å; V56-A76 PolarHBondContact O-N 3.18Å; V56-A76 VanDerWaalsContact O-N 3.13Å; A76-L89 HydrophobicContact CB-CD1 3.96Å; A76-R90 CarbonylContact C-O 3.49Å; A76-R90 WeakPolarHBondContact CA-O 3.35Å; A76-R90 WeakPolarHBondContact CB-O 3.21Å |
| 77 | E | 92.3 | Very high | 89.8 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.4 | 176.7 | -173.4 | 179.8 | 169.8 | 0 | 0 | 108.8 | K53 R90 | K53-E77 HydrophobicContact CB-CG 4.38Å; K53-E77 WeakPolarHBondContact CB-OE1 3.32Å; K53-E77 WeakPolarHBondContact CD-OE1 3.16Å; K53-E77 VanDerWaalsContact CE-OE1 3.24Å; K53-E77 WeakPolarHBondContact CE-OE1 3.39Å; K53-E77 WeakPolarHBondContact CG-OE1 3.32Å; K53-E77 IonicContact NZ-OE1 3.96Å; K53-E77 PolarHBondContact NZ-OE1 3.49Å; K53-E77 IonicContact NZ-OE2 3.85Å; E77-R90 PolarHBondContact N-O 2.87Å; E77-R90 PolarHBondContact O-N 3.36Å |
| 78 | I | 93.4 | Very high | 89.8 | Confident | 18 Ų | 18 | 68.2 Ų | 68.2 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 109.1 | 173.2 | -60 | 167.6 | 0 | 0 | 0 | 107.7 | L34 L49 N54 V56 I80 P87 I88 L89 | L34-I78 HydrophobicContact CD1-CD1 4.4Å; L34-I78 HydrophobicContact CD2-CD1 4.25Å; L49-I78 HydrophobicContact CD2-CD1 4.33Å; N54-I78 HydrophobicContact CB-CB 4.3Å; N54-I78 WeakPolarHBondContact CB-O 3.47Å; N54-I78 PolarHBondContact N-O 3.42Å; N54-I78 PolarHBondContact ND2-O 3.13Å; N54-I78 PolarHBondContact O-N 2.84Å; V56-I78 HydrophobicContact CG2-CD1 3.99Å; V56-I78 HydrophobicContact CG2-CG1 4.4Å; I78-I80 HydrophobicContact CG2-CG1 4.18Å; I78-P87 HydrophobicContact CG2-CB 4.05Å; I78-I88 WeakPolarHBondContact CA-O 3.2Å; I78-L89 HydrophobicContact CD1-CD1 4.36Å; I78-L89 HydrophobicContact CG1-CD1 3.54Å |
| 79 | E | 92.9 | Very high | 89.9 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.9 | 178.1 | -172.8 | 171.7 | -155.6 | 0 | 0 | 110.4 | G52 K53 L81 P87 I88 | G52-E79 WeakPolarHBondContact O-CA 3.45Å; K53-E79 HydrophobicContact CG-CG 4.34Å; E79-L81 HydrophobicContact CG-CD2 3.91Å; E79-L81 HydrophobicContact CG-CG 4.36Å; E79-P87 WeakPolarHBondContact O-CA 3.3Å; E79-I88 HydrophobicContact CB-CB 4.45Å; E79-I88 PolarHBondContact N-O 2.82Å; E79-I88 PolarHBondContact O-N 3.25Å |
| 80 | I | 92 | Very high | 90.1 | Very high | 10 Ų | 10 | 72.2 Ų | 72.2 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 101.7 | 176.7 | -51.4 | -178.6 | 0 | 0 | 0 | 108.2 | V31 L49 L51 G52 I78 P87 | V31-I80 HydrophobicContact CG2-CB 4.46Å; V31-I80 HydrophobicContact CG2-CD1 3.77Å; V31-I80 HydrophobicContact CG2-CG2 3.96Å; L49-I80 HydrophobicContact CB-CD1 3.76Å; L49-I80 HydrophobicContact CD1-CD1 4.22Å; L51-I80 HydrophobicContact CD2-CG2 4.01Å; G52-I80 PolarHBondContact N-O 2.82Å; G52-I80 PolarHBondContact O-N 2.87Å; I78-I80 HydrophobicContact CG2-CG1 4.18Å; I80-P87 HydrophobicContact CD1-CG 4.48Å; I80-P87 HydrophobicContact CG1-CB 4.07Å; I80-P87 HydrophobicContact CG1-CG 4.21Å |
| 81 | L | 89.3 | Confident | 90.3 | Very high | 105 Ų | 105 | 73.3 Ų | 73.3 | 55% | 0.55 | 37% | 0.368 | S | S | . | . | trans | -75.7 | -35.3 | -176.9 | -62.7 | 175.3 | 0 | 0 | 0 | 112.8 | E79 K85 I88 | E79-L81 HydrophobicContact CG-CD2 3.91Å; E79-L81 HydrophobicContact CG-CG 4.36Å; L81-K85 HydrophobicContact CB-CD 4.42Å; L81-I88 HydrophobicContact CD1-CD1 4.2Å | ||
| 82 | A | 88.9 | Confident | 89.9 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 20% | 0.198 | 38% | 0.38 | C | S | . | . | trans | -161.3 | 160.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D84 K85 | A82-D84 VanDerWaalsContact C-N 3.28Å; A82-D84 WeakPolarHBondContact CB-OD1 3.36Å; A82-D84 PolarHBondContact O-N 2.6Å; A82-K85 HydrophobicContact CB-CB 4.42Å; A82-K85 HydrophobicContact CB-CD 4.23Å; A82-K85 HydrophobicContact CB-CG 4.15Å; A82-K85 PolarHBondContact O-N 3.05Å | ||
| 83 | W | 84.7 | Confident | 88.8 | Confident | 174 Ų | 174 | 76.4 Ų | 76.4 | 66% | 0.659 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -30.3 | -180 | 179.1 | -81.2 | 0 | 0 | 0 | 113.3 | V31 K85 | V31-W83 HydrophobicContact CB-CE3 3.68Å; V31-W83 HydrophobicContact CB-CZ3 3.96Å; V31-W83 HydrophobicContact CG1-CE3 3.86Å; V31-W83 HydrophobicContact CG1-CZ3 4.33Å; V31-W83 WeakPolarHBondContact O-CZ3 3.33Å; W83-K85 VanDerWaalsContact C-N 3.35Å |
| 84 | D | 86.8 | Confident | 87.3 | Confident | 129 Ų | 129 | 70.4 Ų | 70.4 | 69% | 0.69 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -2.8 | -179.5 | 66.8 | -55.1 | 0 | 0 | 0 | 113.6 | A82 | A82-D84 VanDerWaalsContact C-N 3.28Å; A82-D84 WeakPolarHBondContact CB-OD1 3.36Å; A82-D84 PolarHBondContact O-N 2.6Å |
| 85 | K | 89.4 | Confident | 85.7 | Confident | 115 Ų | 115 | 72.6 Ų | 72.6 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -108.6 | 146.8 | -177.8 | -65.6 | -173 | -171.7 | -54.2 | 0 | 111 | L81 A82 W83 | L81-K85 HydrophobicContact CB-CD 4.42Å; A82-K85 HydrophobicContact CB-CB 4.42Å; A82-K85 HydrophobicContact CB-CD 4.23Å; A82-K85 HydrophobicContact CB-CG 4.15Å; A82-K85 PolarHBondContact O-N 3.05Å; W83-K85 VanDerWaalsContact C-N 3.35Å |
| 86 | A | 89.9 | Confident | 83.9 | Confident | 86 Ų | 86 | 76 Ų | 76 | 71% | 0.711 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 134.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 87 | P | 91.6 | Very high | 82.1 | Confident | 59 Ų | 59 | 81.6 Ų | 81.6 | 38% | 0.383 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 142.6 | 171.1 | -25.1 | 35.2 | 0 | 0 | 0 | 112 | I78 E79 I80 | I78-P87 HydrophobicContact CG2-CB 4.05Å; E79-P87 WeakPolarHBondContact O-CA 3.3Å; I80-P87 HydrophobicContact CD1-CG 4.48Å; I80-P87 HydrophobicContact CG1-CB 4.07Å; I80-P87 HydrophobicContact CG1-CG 4.21Å |
| 88 | I | 91.5 | Very high | 80.2 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 40% | 0.4 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.6 | 176.2 | -56.2 | 173.8 | 0 | 0 | 0 | 108 | I78 E79 L81 R90 | I78-I88 WeakPolarHBondContact CA-O 3.2Å; E79-I88 HydrophobicContact CB-CB 4.45Å; E79-I88 PolarHBondContact N-O 2.82Å; E79-I88 PolarHBondContact O-N 3.25Å; L81-I88 HydrophobicContact CD1-CD1 4.2Å; I88-R90 HydrophobicContact CG2-CG 4.07Å |
| 89 | L | 92.4 | Very high | 78.2 | Confident | 105 Ų | 105 | 86.7 Ų | 86.7 | 55% | 0.55 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.6 | 174 | 178.3 | 67.7 | 0 | 0 | 0 | 109.6 | A76 I78 | A76-L89 HydrophobicContact CB-CD1 3.96Å; I78-L89 HydrophobicContact CD1-CD1 4.36Å; I78-L89 HydrophobicContact CG1-CD1 3.54Å |
| 90 | R | 90.8 | Very high | 76.2 | Confident | 147 Ų | 147 | 90.4 Ų | 90.4 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.9 | 176 | -56.2 | -171.6 | 67.8 | -155.5 | -2.8 | 109.6 | A76 E77 I88 | A76-R90 CarbonylContact C-O 3.49Å; A76-R90 WeakPolarHBondContact CA-O 3.35Å; A76-R90 WeakPolarHBondContact CB-O 3.21Å; E77-R90 PolarHBondContact N-O 2.87Å; E77-R90 PolarHBondContact O-N 3.36Å; I88-R90 HydrophobicContact CG2-CG 4.07Å |
| 91 | D | 90.9 | Very high | 73.9 | Confident | 70 Ų | 70 | 93.3 Ų | 93.3 | 37% | 0.374 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 133.2 | 167.9 | -177.8 | 80.1 | 0 | 0 | 0 | 109.2 | G93 S94 P98 | D91-G93 PolarHBondContact O-N 3.33Å; D91-G93 VanDerWaalsContact OD2-CA 3.31Å; D91-G93 WeakPolarHBondContact OD2-CA 3.42Å; D91-G93 PolarHBondContact OD2-N 2.91Å; D91-S94 VanDerWaalsContact OD1-CB 3.3Å; D91-S94 WeakPolarHBondContact OD1-CB 3.16Å; D91-S94 PolarHBondContact OD1-OG 3.34Å; D91-S94 PolarHBondContact OD2-N 3.22Å; D91-P98 HydrophobicContact CB-CG 4.39Å; D91-P98 WeakPolarHBondContact OD1-CD 3.48Å; D91-P98 WeakPolarHBondContact OD1-CG 3.47Å |
| 92 | C | 80.6 | Confident | 72 | Confident | 60 Ų | 60 | 94 Ų | 94 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | trans | -91.6 | 25.7 | -176.8 | -62 | 0 | 0 | 0 | 0 | 112.5 | H75 | H75-C92 PolarHBondContact O-N 2.84Š| ||
| 93 | G | 64.8 | Low | 69.8 | Low | 64 Ų | 64 | 99.6 Ų | 99.6 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | trans | 79.8 | 41.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D91 | D91-G93 PolarHBondContact O-N 3.33Å; D91-G93 VanDerWaalsContact OD2-CA 3.31Å; D91-G93 WeakPolarHBondContact OD2-CA 3.42Å; D91-G93 PolarHBondContact OD2-N 2.91Å | ||
| 94 | S | 58.8 | Low | 67.8 | Low | 8 Ų | 8 | 96.9 Ų | 96.9 | 6% | 0.056 | 59% | 0.589 | C | S | . | * | trans | -65.6 | 139.4 | 177 | 73 | 0 | 0 | 0 | 0 | 110.5 | H75 D91 N96 | H75-S94 WeakPolarHBondContact CE1-CB 3.2Å; H75-S94 PolarHBondContact CE1-OG 2.73Å; H75-S94 VanDerWaalsContact CE1-OG 3.25Å; H75-S94 WeakPolarHBondContact ND1-CB 3.38Å; D91-S94 VanDerWaalsContact OD1-CB 3.3Å; D91-S94 WeakPolarHBondContact OD1-CB 3.16Å; D91-S94 PolarHBondContact OD1-OG 3.34Å; D91-S94 PolarHBondContact OD2-N 3.22Å; S94-N96 PolarHBondContact O-N 3.44Å; S94-N96 PolarHBondContact OG-O 3.09Å | ||
| 95 | L | 55.8 | Low | 65.6 | Low | 164 Ų | 164 | 95 Ų | 95 | 86% | 0.859 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -61.8 | -16.9 | 179.6 | -103.7 | 138.6 | 0 | 0 | 0 | 112.8 | ||
| 96 | N | 53 | Low | 63.5 | Low | 98 Ų | 98 | 96.3 Ų | 96.3 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -119.3 | 91.6 | 177.7 | -68.7 | -37.3 | 0 | 0 | 0 | 108.5 | S70 S94 P98 | S70-N96 PolarHBondContact O-ND2 3.36Å; S70-N96 VanDerWaalsContact O-ND2 3.13Å; S94-N96 PolarHBondContact O-N 3.44Å; S94-N96 PolarHBondContact OG-O 3.09Å; N96-P98 WeakPolarHBondContact O-CD 3.35Å |
| 97 | V | 54.2 | Low | 61.2 | Low | 126 Ų | 126 | 97.9 Ų | 97.9 | 76% | 0.764 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 121.8 | 179.2 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | S99 | V97-S99 PolarHBondContact O-N 3.13Š|
| 98 | P | 52.2 | Low | 59.1 | Low | 59 Ų | 59 | 101 Ų | 101 | 38% | 0.383 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 125 | 171.5 | -17.3 | 30 | 0 | 0 | 0 | 109.4 | D91 N96 | D91-P98 HydrophobicContact CB-CG 4.39Å; D91-P98 WeakPolarHBondContact OD1-CD 3.48Å; D91-P98 WeakPolarHBondContact OD1-CG 3.47Å; N96-P98 WeakPolarHBondContact O-CD 3.35Å |
| 99 | S | 52.8 | Low | 56.9 | Low | 93 Ų | 93 | 103.1 Ų | 103.1 | 65% | 0.65 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 136.6 | -179.9 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | V97 G101 | V97-S99 PolarHBondContact O-N 3.13Å; S99-G101 PolarHBondContact O-N 3.03Å |
| 100 | P | 50.2 | Low | 54.9 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 81% | 0.812 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 9.5 | -173.2 | 25.2 | -33.4 | 0 | 0 | 0 | 115.9 | ||
| 101 | G | 44 | Very low | 53 | Low | 70 Ų | 70 | 99.8 Ų | 99.8 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -2.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S99 | S99-G101 PolarHBondContact O-N 3.03Š|
| 102 | C | 49.1 | Very low | 51.2 | Low | 119 Ų | 119 | 102 Ų | 102 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -104.7 | 32.4 | -171.7 | -127.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 103 | L | 43.3 | Very low | 49.7 | Very low | 143 Ų | 143 | 106.3 Ų | 106.3 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -98 | 11 | -177.7 | -80 | 172.6 | 0 | 0 | 0 | 115.2 | ||
| 104 | S | 42.5 | Very low | 49.1 | Very low | 117 Ų | 117 | 108.7 Ų | 108.7 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -130.2 | 6.7 | -168.1 | -49.5 | 0 | 0 | 0 | 0 | 117.3 | ||
| 105 | A | 41.1 | Very low | 48.4 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | trans | -109.1 | 7 | -174 | 0 | 0 | 0 | 0 | 0 | 116 | C107 | A105-C107 PolarHBondContact O-N 3.06Š| ||
| 106 | L | 44.9 | Very low | 48.1 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | -81.7 | 61.5 | 174 | -61.5 | 179.9 | 0 | 0 | 0 | 111.2 | L108 | L106-L108 PolarHBondContact O-N 2.92Š| ||
| 107 | C | 41.9 | Very low | 47.9 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -81.3 | 92.3 | 158.3 | -85.6 | 0 | 0 | 0 | 0 | 107.8 | A105 P109 | A105-C107 PolarHBondContact O-N 3.06Å; C107-P109 WeakPolarHBondContact O-CD 3.31Å | ||
| 108 | L | 46.9 | Very low | 48 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 121 | 165.1 | -69.3 | 170.2 | 0 | 0 | 0 | 108.3 | L106 G110 | L106-L108 PolarHBondContact O-N 2.92Å; L108-G110 PolarHBondContact O-N 2.9Å |
| 109 | P | 45.6 | Very low | 47.8 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 131.1 | 168.1 | 26.6 | -30 | 0 | 0 | 0 | 109 | C107 | C107-P109 WeakPolarHBondContact O-CD 3.31Š|
| 110 | G | 50 | Low | 47.3 | Very low | 63 Ų | 63 | 130.9 Ų | 130.9 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61 | 165.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | L108 S112 | L108-G110 PolarHBondContact O-N 2.9Å; G110-S112 PolarHBondContact O-N 2.85Å; G110-S112 VanDerWaalsContact O-N 3.17Å |
| 111 | P | 51 | Low | 47.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -69.6 | 113.8 | -173.8 | 28 | -32.6 | 0 | 0 | 0 | 110.6 | D113 | P111-D113 PolarHBondContact O-N 2.91Å; P111-D113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | S | 51.8 | Low | 46.9 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -72.3 | 99.5 | 162.3 | 38.5 | 0 | 0 | 0 | 0 | 108.8 | G110 S114 | G110-S112 PolarHBondContact O-N 2.85Å; G110-S112 VanDerWaalsContact O-N 3.17Å; S112-S114 PolarHBondContact O-N 3.1Å; S112-S114 VanDerWaalsContact O-N 3.1Å | ||
| 113 | D | 50.4 | Low | 47.2 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -57.8 | 100.9 | 172.8 | -149.5 | -30.6 | 0 | 0 | 0 | 109.7 | P111 R115 | P111-D113 PolarHBondContact O-N 2.91Å; P111-D113 VanDerWaalsContact O-N 3.12Å; D113-R115 PolarHBondContact O-N 3.03Å | ||
| 114 | S | 51.3 | Low | 47 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -94.9 | 84.2 | 168.2 | 53.4 | 0 | 0 | 0 | 0 | 108.7 | S112 R116 | S112-S114 PolarHBondContact O-N 3.1Å; S112-S114 VanDerWaalsContact O-N 3.1Å; S114-R116 PolarHBondContact O-N 3.15Å | ||
| 115 | R | 44.1 | Very low | 47.1 | Very low | 214 Ų | 214 | 136 Ų | 136 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -44.9 | 120.7 | 174 | -151.7 | 176.3 | 178.8 | -155 | -1.2 | 110.9 | D113 D117 | D113-R115 PolarHBondContact O-N 3.03Å; R115-D117 PolarHBondContact O-N 3.01Å | ||
| 116 | R | 50.9 | Low | 47.6 | Very low | 226 Ų | 226 | 138.1 Ų | 138.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -66.5 | 119.6 | 173.2 | -77.1 | -179.6 | -80.3 | -134.3 | -5.5 | 110.6 | S114 | S114-R116 PolarHBondContact O-N 3.15Š| ||
| 117 | D | 48.3 | Very low | 48.3 | Very low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -103.6 | 94.6 | 160.1 | -76 | -49.6 | 0 | 0 | 0 | 109.2 | R115 | R115-D117 PolarHBondContact O-N 3.01Š| ||
| 118 | T | 54.9 | Low | 48.4 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -96.1 | 108.3 | 160.6 | 50.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 119 | Q | 49.1 | Very low | 48.1 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -112.2 | 123.4 | 159.7 | -87.9 | -174.5 | 52.4 | 0 | 0 | 110.1 | ||||
| 120 | S | 42.8 | Very low | 48 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -100.3 | 148.6 | -179.3 | 167.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 121 | T | 47.7 | Very low | 48 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | 82.4 | 122.2 | 153 | -55.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 122 | G | 38.1 | Very low | 47.3 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -175.1 | 93 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 123 | R | 53.9 | Low | 46.6 | Very low | 227 Ų | 227 | 137 Ų | 137 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -60.9 | 148.7 | 178.5 | -61.1 | 161.9 | 161.7 | 176.9 | -7.4 | 112.6 | ||||
| 124 | N | 39.6 | Very low | 46.5 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | 163.5 | 142.4 | 109.7 | 59.5 | 20.9 | 0 | 0 | 0 | 114.8 | |||||
| 125 | S | 44.6 | Very low | 46 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | 49 | 132.6 | 142.5 | -42.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 126 | T | 51.1 | Low | 45.8 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | cis | -170.6 | 160.4 | 44.8 | 31.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 127 | P | 59.1 | Low | 45.7 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -99.6 | 166.9 | 173.9 | 38.1 | -30.5 | 0 | 0 | 0 | 114.6 | ||||
| 128 | E | 44 | Very low | 45.6 | Very low | 176 Ų | 176 | 122.7 Ų | 122.7 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 73.6 | 123 | 154.4 | -82.4 | -90.4 | 95.7 | 0 | 0 | 121.5 | ||||
| 129 | A | 41.6 | Very low | 45.5 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | 172.6 | 99 | 142.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 130 | S | 44.1 | Very low | 45.2 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | 63.5 | 113.6 | 70.7 | -126.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 131 | V | 48.7 | Very low | 45.3 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | 58.6 | 130.7 | 148.8 | -80.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 132 | G | 36.2 | Very low | 45.5 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | 97.8 | 132.8 | 146.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 133 | G | 38.3 | Very low | 45.9 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | cis | 167.5 | 164.6 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 134 | L | 48.6 | Very low | 45.5 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 98% | 0.979 | 83% | 0.834 | S | S | * | * | trans | 72.9 | 122.3 | 155.8 | -51.6 | 172 | 0 | 0 | 0 | 119.9 | ||||
| 135 | G | 39.3 | Very low | 45.8 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | trans | 152.3 | 99.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 136 | G | 41.7 | Very low | 45.9 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 88% | 0.876 | 84% | 0.843 | S | S | * | * | trans | 63.3 | 114.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 137 | G | 48.5 | Very low | 45.6 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | cis | 81.1 | 80.6 | 45 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 138 | S | 46.6 | Very low | 44.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 85% | 0.85 | S | S | * | * | trans | -160.3 | 127.1 | 140.6 | -162.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 139 | R | 51.9 | Low | 44.7 | Very low | 228 Ų | 228 | 131.3 Ų | 131.3 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | trans | -120.9 | 121.3 | 177.1 | 13.4 | 176.6 | 165.7 | 153.3 | -2.7 | 104.2 | ||||
| 140 | F | 43.5 | Very low | 44.9 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 83% | 0.825 | 86% | 0.857 | S | S | * | * | trans | -150 | 113.9 | 154.2 | -93.3 | -73.7 | 0 | 0 | 0 | 109.5 | ||||
| 141 | S | 44.5 | Very low | 45 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 87% | 0.873 | S | S | * | * | trans | -83.6 | 141.1 | 155.7 | -54.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 142 | F | 52.5 | Low | 44.7 | Very low | 270 Ų | 270 | 136.7 Ų | 136.7 | 100% | 1.184 | 87% | 0.873 | S | S | * | * | trans | -145.6 | 0 | 136.6 | -91.8 | -73.8 | 0 | 0 | 0 | 107.7 |
Retrieved 142 of 142 residues in 195.4 ms
(Link to these results)