| 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 | 45.2 | Very low | 54.6 | Low | 235 Ų | 235 | 153.6 Ų | 153.6 | 100% | 1.158 | 84% | 0.837 | S | S | * | * | 0 | 86.2 | 0 | -67.8 | 178.6 | 162.3 | 0 | 0 | 105 | |||||
| 2 | S | 50.1 | Low | 54.4 | Low | 116 Ų | 116 | 151.6 Ų | 151.6 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | 78.6 | 135.1 | 90.5 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3 | S | 50.2 | Low | 54.9 | Low | 106 Ų | 106 | 153.8 Ų | 153.8 | 74% | 0.741 | 84% | 0.838 | S | S | * | * | trans | 102 | 126.2 | 170.9 | 75.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 4 | E | 57.4 | Low | 54.4 | Low | 189 Ų | 189 | 151.3 Ų | 151.3 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | cis | -161.7 | 148.4 | 5.3 | -109.6 | 160.3 | 131.7 | 0 | 0 | 107.5 | ||||
| 5 | A | 56.4 | Low | 54.1 | Low | 97 Ų | 97 | 147.3 Ų | 147.3 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -90.1 | 126.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | E | 53.6 | Low | 53.8 | Low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -122.1 | 102.4 | 165 | -159.5 | 173.8 | 124.7 | 0 | 0 | 108.5 | ||||
| 7 | T | 53.3 | Low | 53.4 | Low | 128 Ų | 128 | 145 Ų | 145 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -89.9 | 103.7 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 8 | Q | 61.9 | Low | 53 | Low | 169 Ų | 169 | 142.4 Ų | 142.4 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -88 | 111.1 | 172.8 | -152.2 | 165.7 | 75.9 | 0 | 0 | 109 | ||||
| 9 | Q | 50.6 | Low | 52.4 | Low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 123 | 176.3 | -85.3 | 168.4 | -29.1 | 0 | 0 | 111.4 | ||
| 10 | Q | 58.4 | Low | 52.1 | Low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 143.8 | 160.3 | -88.1 | 179 | -10.7 | 0 | 0 | 110.6 | ||
| 11 | P | 63.7 | Low | 52 | Low | 111 Ų | 111 | 141.6 Ų | 141.6 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 147 | 174.5 | 31 | -33.7 | 0 | 0 | 0 | 111.8 | Q13 | P11-Q13 PolarHBondContact O-N 2.79Š|
| 12 | P | 52.4 | Low | 51.8 | Low | 129 Ų | 129 | 135.1 Ų | 135.1 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 127.9 | 174.5 | 29.3 | -32.4 | 0 | 0 | 0 | 110.9 | ||
| 13 | Q | 60.1 | Low | 52 | Low | 180 Ų | 180 | 135.4 Ų | 135.4 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66 | 147.3 | 169.7 | -66.1 | -114.5 | -20.3 | 0 | 0 | 110.8 | P11 A15 | P11-Q13 PolarHBondContact O-N 2.79Å; Q13-A15 PolarHBondContact O-N 3.37Å |
| 14 | P | 48.6 | Very low | 52.1 | Low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 129.4 | 178.7 | 29.2 | -32.8 | 0 | 0 | 0 | 110.6 | A16 | P14-A16 PolarHBondContact O-N 3.18Å; P14-A16 VanDerWaalsContact O-N 3.15Å |
| 15 | A | 49.3 | Very low | 51.4 | Low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 116.4 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q13 D17 | Q13-A15 PolarHBondContact O-N 3.37Å; A15-D17 PolarHBondContact O-N 3.22Å |
| 16 | A | 49.4 | Very low | 50.8 | Low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -67.8 | 111.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | P14 A18 | P14-A16 PolarHBondContact O-N 3.18Å; P14-A16 VanDerWaalsContact O-N 3.15Å; A16-A18 PolarHBondContact O-N 3.44Å; A16-A18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | D | 46.8 | Very low | 50.3 | Low | 158 Ų | 158 | 128.2 Ų | 128.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -56 | 110.3 | 168.8 | -76.2 | -65.6 | 0 | 0 | 0 | 109.4 | A15 E19 | A15-D17 PolarHBondContact O-N 3.22Å; D17-E19 PolarHBondContact O-N 2.65Å | ||
| 18 | A | 46.8 | Very low | 49.9 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -70.8 | 85.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A16 S20 | A16-A18 PolarHBondContact O-N 3.44Å; A16-A18 VanDerWaalsContact O-N 3.08Å; A18-S20 PolarHBondContact O-N 2.74Å | ||
| 19 | E | 41.2 | Very low | 49.1 | Very low | 184 Ų | 184 | 124.2 Ų | 124.2 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -65.7 | 99.9 | 169.1 | -156.4 | 173.6 | -171.9 | 0 | 0 | 108.4 | D17 P21 | D17-E19 PolarHBondContact O-N 2.65Å; E19-P21 WeakPolarHBondContact O-CD 3.24Å | ||
| 20 | S | 47.1 | Very low | 49.2 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -60.7 | 122.8 | 168.4 | -63.2 | 0 | 0 | 0 | 0 | 108.6 | A18 S22 | A18-S20 PolarHBondContact O-N 2.74Å; S20-S22 VanDerWaalsContact C-N 3.35Å; S20-S22 PolarHBondContact O-N 2.87Å | ||
| 21 | P | 49.1 | Very low | 49 | Very low | 124 Ų | 124 | 113.7 Ų | 113.7 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 95.6 | 174.9 | 28.4 | -32.2 | 0 | 0 | 0 | 108.7 | E19 S23 | E19-P21 WeakPolarHBondContact O-CD 3.24Å; P21-S23 PolarHBondContact O-N 3.14Å; P21-S23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | S | 42.5 | Very low | 49.2 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -61.8 | 106.3 | 163.2 | 54.8 | 0 | 0 | 0 | 0 | 108 | S20 P24 | S20-S22 VanDerWaalsContact C-N 3.35Å; S20-S22 PolarHBondContact O-N 2.87Å; S22-P24 WeakPolarHBondContact O-CD 3.42Å; S22-P24 VanDerWaalsContact O-CG 3.24Å; S22-P24 WeakPolarHBondContact O-CG 3.4Å | ||
| 23 | S | 53.5 | Low | 50.6 | Low | 123 Ų | 123 | 114.4 Ų | 114.4 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -57.9 | 115.9 | 175.4 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | P21 | P21-S23 PolarHBondContact O-N 3.14Å; P21-S23 VanDerWaalsContact O-N 3.12Å | ||
| 24 | P | 52.3 | Low | 52.1 | Low | 119 Ų | 119 | 112.7 Ų | 112.7 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -129.4 | 67.6 | 170.2 | 32.4 | -6.5 | 0 | 0 | 0 | 108.5 | S22 | S22-P24 WeakPolarHBondContact O-CD 3.42Å; S22-P24 VanDerWaalsContact O-CG 3.24Å; S22-P24 WeakPolarHBondContact O-CG 3.4Å | ||
| 25 | A | 42.7 | Very low | 54.2 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | -158.2 | 75.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 26 | A | 42.8 | Very low | 56.3 | Low | 116 Ų | 116 | 110.9 Ų | 110.9 | 96% | 0.959 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -115.5 | 21.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 27 | A | 44.3 | Very low | 58.3 | Low | 88 Ų | 88 | 107.3 Ų | 107.3 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -122.9 | 126 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||
| 28 | A | 44 | Very low | 60.5 | Low | 105 Ų | 105 | 104.3 Ų | 104.3 | 87% | 0.868 | 69% | 0.69 | S | S | * | * | trans | 75.2 | 69.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 29 | S | 45.7 | Very low | 62.7 | Low | 108 Ų | 108 | 106.8 Ų | 106.8 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | trans | -115.1 | 59.2 | 139.4 | 60.2 | 0 | 0 | 0 | 0 | 109.3 | G31 | S29-G31 PolarHBondContact O-N 3.47Š| ||
| 30 | A | 52.6 | Low | 65.2 | Low | 100 Ų | 100 | 98.3 Ų | 98.3 | 83% | 0.826 | 64% | 0.644 | S | S | * | * | trans | -73.9 | 60.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 31 | G | 53.6 | Low | 67.5 | Low | 44 Ų | 44 | 97.1 Ų | 97.1 | 45% | 0.454 | 63% | 0.629 | S | S | . | * | trans | -63 | 151.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | S29 K33 | S29-G31 PolarHBondContact O-N 3.47Å; G31-K33 PolarHBondContact O-N 2.89Å | ||
| 32 | D | 69.4 | Low | 69.8 | Low | 175 Ų | 175 | 91.2 Ų | 91.2 | 94% | 0.936 | 59% | 0.59 | S | S | * | * | trans | -62.9 | 74.4 | 179.7 | -57.1 | -62.9 | 0 | 0 | 0 | 110.4 | K34 | D32-K34 PolarHBondContact O-N 2.67Š| ||
| 33 | K | 81.8 | Confident | 72.3 | Confident | 80 Ų | 80 | 88.8 Ų | 88.8 | 35% | 0.348 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 129.3 | 172.9 | -68.6 | -177.3 | 179.4 | -179.2 | 0 | 106.7 | G31 V35 V95 E102 | G31-K33 PolarHBondContact O-N 2.89Å; K33-V35 PolarHBondContact O-N 2.79Å; K33-V35 VanDerWaalsContact O-N 3.14Å; K33-V95 HydrophobicContact CB-CB 4.1Å; K33-V95 HydrophobicContact CB-CG2 4.38Å; K33-V95 HydrophobicContact CD-CG2 4.18Å; K33-E102 IonicContact NZ-OE1 3.71Å; K33-E102 IonicContact NZ-OE2 2.69Å; K33-E102 PolarHBondContact NZ-OE2 2.77Å |
| 34 | K | 91.3 | Very high | 74.4 | Confident | 144 Ų | 144 | 83 Ų | 83 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 118.4 | -178.7 | -176.8 | 160.2 | 167.8 | -83 | 0 | 109.7 | D32 I36 V95 E96 | D32-K34 PolarHBondContact O-N 2.67Å; K34-I36 PolarHBondContact O-N 2.81Å; K34-V95 CarbonylContact O-C 3.6Å; K34-V95 WeakPolarHBondContact O-CA 3.38Å; K34-E96 HydrophobicContact CB-CB 4.3Å; K34-E96 IonicContact NZ-OE2 3.94Å; K34-E96 PolarHBondContact O-N 3.45Å |
| 35 | V | 92.2 | Very high | 76.5 | Confident | 80 Ų | 80 | 82.9 Ų | 82.9 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 119 | 177 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | K33 A37 T38 V94 V95 | K33-V35 PolarHBondContact O-N 2.79Å; K33-V35 VanDerWaalsContact O-N 3.14Å; V35-A37 WeakPolarHBondContact CG1-O 3.37Å; V35-T38 HydrophobicContact CG1-CG2 3.61Å; V35-V94 CarbonylContact C-O 3.48Å; V35-V95 HydrophobicContact CB-CG1 4.48Å; V35-V95 HydrophobicContact CG2-CG1 4.04Å |
| 36 | I | 92.3 | Very high | 79.1 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -41.5 | -179.8 | -55.4 | 167.9 | 0 | 0 | 0 | 109.9 | K34 V94 E96 | K34-I36 PolarHBondContact O-N 2.81Å; I36-V94 HydrophobicContact CB-CB 4.4Å; I36-V94 HydrophobicContact CB-CG1 4.26Å; I36-V94 HydrophobicContact CD1-CG1 4.2Å; I36-V94 PolarHBondContact N-O 3.5Å; I36-E96 HydrophobicContact CD1-CB 4.05Å; I36-E96 HydrophobicContact CG1-CB 4.35Å |
| 37 | A | 91.8 | Very high | 81.6 | Confident | 22 Ų | 22 | 78 Ų | 78 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 151.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V35 V40 D93 V94 | V35-A37 WeakPolarHBondContact CG1-O 3.37Å; A37-V40 HydrophobicContact CB-CG2 3.62Å; A37-D93 CarbonylContact O-C 3.53Å; A37-D93 WeakPolarHBondContact O-CA 3.44Å; A37-V94 HydrophobicContact CB-CB 4.12Å; A37-V94 HydrophobicContact CB-CG2 4.11Å; A37-V94 PolarHBondContact N-O 2.75Å; A37-V94 PolarHBondContact O-N 3.43Å |
| 38 | T | 93.5 | Very high | 84.1 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.7 | 179.1 | 56.7 | 0 | 0 | 0 | 0 | 111 | V35 V40 D93 | V35-T38 HydrophobicContact CG1-CG2 3.61Å; T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 3.39Å; T38-D93 VanDerWaalsContact CA-OD1 3.24Å; T38-D93 WeakPolarHBondContact CA-OD1 3.03Å |
| 39 | K | 92.8 | Very high | 86.5 | Confident | 150 Ų | 150 | 72.9 Ų | 72.9 | 65% | 0.652 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.5 | 42.3 | 174.1 | -58.6 | -177.5 | -179.3 | 175.6 | 0 | 114.3 | E91 F92 D93 | K39-E91 HydrophobicContact CB-CG 4.28Å; K39-F92 CarbonylContact C-O 3.54Å; K39-F92 PolarHBondContact N-O 2.95Å; K39-D93 PolarHBondContact N-OD1 3.4Å |
| 40 | V | 94.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 78.8 Ų | 78.8 | 4% | 0.042 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 139.3 | 177.3 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | A37 T38 R58 D60 E91 F92 V94 | A37-V40 HydrophobicContact CB-CG2 3.62Å; T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 3.39Å; V40-R58 HydrophobicContact CG1-CG 4.1Å; V40-D60 WeakPolarHBondContact CG1-OD2 3.45Å; V40-E91 WeakPolarHBondContact O-CA 3.31Å; V40-F92 HydrophobicContact CG1-CZ 4.37Å; V40-F92 PolarHBondContact N-O 2.85Å; V40-F92 WeakPolarHBondContact O-CD1 3.38Å; V40-F92 PolarHBondContact O-N 2.82Å; V40-V94 HydrophobicContact CG2-CG2 4.24Å |
| 41 | L | 95.6 | Very high | 90.8 | Very high | 76 Ų | 76 | 77.5 Ų | 77.5 | 40% | 0.398 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 138.3 | 170.6 | -64.2 | 177.4 | 0 | 0 | 0 | 110.7 | N59 V90 E91 | L41-N59 PolarHBondContact O-N 2.85Å; L41-N59 VanDerWaalsContact O-N 3.12Å; L41-V90 WeakPolarHBondContact CA-O 3.19Å; L41-E91 HydrophobicContact CD2-CB 3.85Å; L41-E91 HydrophobicContact CD2-CG 4.14Å |
| 42 | G | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 165.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N57 T89 V90 | G42-N57 CarbonylContact C-O 3.59Å; G42-N57 WeakPolarHBondContact CA-O 3.48Å; G42-T89 CarbonylContact O-C 3.59Å; G42-T89 WeakPolarHBondContact O-CA 3.19Å; G42-V90 PolarHBondContact N-O 3.16Å; G42-V90 PolarHBondContact O-N 3.47Å |
| 43 | T | 96.2 | Very high | 94 | Very high | 49 Ų | 49 | 71.2 Ų | 71.2 | 30% | 0.301 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.2 | 178.9 | -51.5 | 0 | 0 | 0 | 0 | 109 | K45 N57 N59 | T43-K45 PolarHBondContact O-N 3.49Å; T43-K45 VanDerWaalsContact O-N 3.16Å; T43-N57 PolarHBondContact N-O 3.33Å; T43-N57 PolarHBondContact O-N 2.85Å; T43-N59 PolarHBondContact OG1-OD1 2.95Å |
| 44 | V | 96.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 118.5 | 178.5 | 178.4 | 0 | 0 | 0 | 0 | 109 | F47 I56 V84 G85 G87 E88 V90 | V44-F47 HydrophobicContact CG1-CB 4.4Å; V44-I56 HydrophobicContact CG2-CG1 4.19Å; V44-V84 HydrophobicContact CG1-CG2 3.75Å; V44-V84 HydrophobicContact CG2-CB 4Å; V44-V84 HydrophobicContact CG2-CG2 3.92Å; V44-G85 WeakPolarHBondContact CB-O 3.46Å; V44-G85 VanDerWaalsContact CG1-O 3.31Å; V44-G85 WeakPolarHBondContact CG1-O 3.28Å; V44-G87 WeakPolarHBondContact O-CA 3.38Å; V44-G87 PolarHBondContact O-N 3.05Å; V44-E88 HydrophobicContact CG2-CB 4.32Å; V44-E88 WeakPolarHBondContact CG2-O 3.5Å; V44-E88 PolarHBondContact N-O 3.38Å; V44-V90 HydrophobicContact CG2-CG1 4.04Å; V44-V90 HydrophobicContact CG2-CG2 3.94Å |
| 45 | K | 96.1 | Very high | 95 | Very high | 116 Ų | 116 | 63.5 Ų | 63.5 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -50.1 | 178.4 | -166.8 | -176.2 | -173.9 | 170 | 0 | 110.3 | T43 F55 D64 | T43-K45 PolarHBondContact O-N 3.49Å; T43-K45 VanDerWaalsContact O-N 3.16Å; K45-F55 HydrophobicContact CB-CB 4.49Å; K45-F55 WeakPolarHBondContact CB-O 3.14Å; K45-F55 PolarHBondContact N-O 3.15Å; K45-D64 IonicContact NZ-OD1 3.87Å; K45-D64 IonicContact NZ-OD2 2.69Å; K45-D64 PolarHBondContact NZ-OD2 3.02Å |
| 46 | W | 96.6 | Very high | 95.2 | Very high | 95 Ų | 95 | 59.7 Ų | 59.7 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 154 | 173.8 | 55.5 | -95.3 | 0 | 0 | 0 | 110.4 | N48 Y53 G54 F55 D86 | W46-N48 HydrophobicContact CZ3-CB 4.3Å; W46-Y53 AromaticContact CH2-CD2 3.85Å; W46-Y53 HydrophobicContact CH2-CD2 3.85Å; W46-Y53 AromaticContact CH2-CE2 3.65Å; W46-Y53 HydrophobicContact CH2-CE2 3.65Å; W46-Y53 AromaticContact CZ3-CD2 3.83Å; W46-Y53 HydrophobicContact CZ3-CD2 3.83Å; W46-Y53 AromaticContact CZ3-CE2 3.81Å; W46-Y53 HydrophobicContact CZ3-CE2 3.81Å; W46-G54 CarbonylContact O-C 3.58Å; W46-G54 WeakPolarHBondContact O-CA 3.47Å; W46-F55 AromaticContact CE2-CD2 3.66Å; W46-F55 AromaticContact CH2-CD2 3.58Å; W46-F55 HydrophobicContact CH2-CD2 3.58Å; W46-F55 AromaticContact CH2-CE2 3.7Å; W46-F55 HydrophobicContact CH2-CE2 3.7Å; W46-F55 AromaticContact CZ2-CD2 3.15Å; W46-F55 HydrophobicContact CZ2-CD2 3.15Å; W46-F55 AromaticContact CZ2-CE2 3.46Å; W46-F55 HydrophobicContact CZ2-CE2 3.46Å; W46-F55 VanDerWaalsContact CZ2-CE2 3.46Å; W46-F55 HydrophobicContact CZ2-CG 4.32Å; W46-F55 HydrophobicContact CZ3-CD2 4.46Å; W46-F55 PolarHBondContact N-O 3.13Å; W46-F55 PolarHBondContact O-N 3.33Å; W46-D86 WeakPolarHBondContact CA-OD1 3.37Å |
| 47 | F | 96.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 122.9 | 172.2 | -174.5 | -92.9 | 0 | 0 | 0 | 112.3 | V44 V49 V67 Q69 I72 V84 D86 | V44-F47 HydrophobicContact CG1-CB 4.4Å; F47-V49 HydrophobicContact CD1-CG2 4.06Å; F47-V49 HydrophobicContact CE1-CG2 4.28Å; F47-V49 PolarHBondContact O-N 3.12Å; F47-V67 HydrophobicContact CD2-CG1 4.36Å; F47-Q69 HydrophobicContact CZ-CB 4.26Å; F47-I72 HydrophobicContact CZ-CD1 4.45Å; F47-V84 HydrophobicContact CB-CG2 3.57Å; F47-V84 HydrophobicContact CD1-CG2 4.38Å; F47-V84 HydrophobicContact CD2-CG2 3.53Å; F47-V84 HydrophobicContact CE2-CG2 4.3Å; F47-V84 HydrophobicContact CG-CG2 3.57Å; F47-D86 PolarHBondContact N-OD1 2.83Å |
| 48 | N | 96.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 104.3 | 176 | -172.4 | -30.8 | 0 | 0 | 0 | 110.2 | W46 R50 N51 G52 Y53 | W46-N48 HydrophobicContact CZ3-CB 4.3Å; N48-R50 VanDerWaalsContact C-N 3.25Å; N48-R50 PolarHBondContact O-N 3.34Å; N48-R50 WeakPolarHBondContact OD1-CB 3.36Å; N48-R50 PolarHBondContact OD1-N 2.79Å; N48-N51 HydrophobicContact CB-CB 4.33Å; N48-N51 PolarHBondContact ND2-ND2 2.95Å; N48-N51 PolarHBondContact O-N 2.79Å; N48-N51 PolarHBondContact OD1-N 3.38Å; N48-N51 VanDerWaalsContact OD1-N 3.16Å; N48-G52 WeakPolarHBondContact O-CA 3.38Å; N48-G52 PolarHBondContact O-N 2.99Å; N48-Y53 PolarHBondContact N-O 2.99Å; N48-Y53 PolarHBondContact O-N 3.29Å |
| 49 | V | 94.5 | Very high | 95.4 | Very high | 25 Ų | 25 | 57 Ų | 57 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.9 | 180 | -176.3 | 0 | 0 | 0 | 0 | 113.2 | F47 L81 S117 A120 | F47-V49 HydrophobicContact CD1-CG2 4.06Å; F47-V49 HydrophobicContact CE1-CG2 4.28Å; F47-V49 PolarHBondContact O-N 3.12Å; V49-L81 HydrophobicContact CG1-CD1 3.7Å; V49-S117 VanDerWaalsContact CG2-OG 3.32Å; V49-S117 WeakPolarHBondContact CG2-OG 3.45Å; V49-A120 HydrophobicContact CG1-CB 4.1Å; V49-A120 HydrophobicContact CG2-CB 4.46Å |
| 50 | R | 93.3 | Very high | 95.2 | Very high | 233 Ų | 233 | 55.1 Ų | 55.1 | 88% | 0.879 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -42.2 | -179.3 | -176.3 | 179.1 | -179.5 | -175 | -1 | 111.1 | N48 | N48-R50 VanDerWaalsContact C-N 3.25Å; N48-R50 PolarHBondContact O-N 3.34Å; N48-R50 WeakPolarHBondContact OD1-CB 3.36Å; N48-R50 PolarHBondContact OD1-N 2.79Å |
| 51 | N | 94.9 | Very high | 94.9 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -18.8 | -178.8 | -58.7 | -5.8 | 0 | 0 | 0 | 112.5 | N48 Y53 | N48-N51 HydrophobicContact CB-CB 4.33Å; N48-N51 PolarHBondContact ND2-ND2 2.95Å; N48-N51 PolarHBondContact O-N 2.79Å; N48-N51 PolarHBondContact OD1-N 3.38Å; N48-N51 VanDerWaalsContact OD1-N 3.16Å; N51-Y53 HydrophobicContact CB-CD1 3.5Å; N51-Y53 VanDerWaalsContact CB-CD1 3.5Å; N51-Y53 HydrophobicContact CB-CE1 3.18Å; N51-Y53 HydrophobicContact CB-CG 4.42Å; N51-Y53 PolarHBondContact ND2-OH 2.71Å |
| 52 | G | 95.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 22.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N48 H68 Q69 | N48-G52 WeakPolarHBondContact O-CA 3.38Å; N48-G52 PolarHBondContact O-N 2.99Å; G52-H68 CarbonylContact O-C 3.52Å; G52-H68 PolarHBondContact O-CD2 2.86Å; G52-H68 VanDerWaalsContact O-CD2 3.31Å; G52-Q69 WeakPolarHBondContact O-CB 3.42Å; G52-Q69 PolarHBondContact O-N 2.87Å |
| 53 | Y | 95.9 | Very high | 94.5 | Very high | 86 Ų | 86 | 67.2 Ų | 67.2 | 34% | 0.337 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 161.8 | 177.5 | 66 | -102.8 | 0 | 0 | 0 | 112.3 | W46 N48 N51 F66 V67 | W46-Y53 AromaticContact CH2-CD2 3.85Å; W46-Y53 HydrophobicContact CH2-CD2 3.85Å; W46-Y53 AromaticContact CH2-CE2 3.65Å; W46-Y53 HydrophobicContact CH2-CE2 3.65Å; W46-Y53 AromaticContact CZ3-CD2 3.83Å; W46-Y53 HydrophobicContact CZ3-CD2 3.83Å; W46-Y53 AromaticContact CZ3-CE2 3.81Å; W46-Y53 HydrophobicContact CZ3-CE2 3.81Å; N48-Y53 PolarHBondContact N-O 2.99Å; N48-Y53 PolarHBondContact O-N 3.29Å; N51-Y53 HydrophobicContact CB-CD1 3.5Å; N51-Y53 VanDerWaalsContact CB-CD1 3.5Å; N51-Y53 HydrophobicContact CB-CE1 3.18Å; N51-Y53 HydrophobicContact CB-CG 4.42Å; N51-Y53 PolarHBondContact ND2-OH 2.71Å; Y53-F66 HydrophobicContact CD2-CE2 4.29Å; Y53-F66 HydrophobicContact CG-CE2 4.2Å; Y53-V67 CarbonylContact C-O 3.56Å; Y53-V67 VanDerWaalsContact CA-O 3.25Å; Y53-V67 WeakPolarHBondContact CA-O 3.01Å |
| 54 | G | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | -169.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W46 V67 | W46-G54 CarbonylContact O-C 3.58Å; W46-G54 WeakPolarHBondContact O-CA 3.47Å; G54-V67 PolarHBondContact N-O 2.8Å; G54-V67 WeakPolarHBondContact O-CG1 3.4Å; G54-V67 PolarHBondContact O-N 2.98Å |
| 55 | F | 96.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 67.9 Ų | 67.9 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.3 | 172.8 | -72.6 | -97.3 | 0 | 0 | 0 | 110.7 | K45 W46 D64 V65 F66 | K45-F55 HydrophobicContact CB-CB 4.49Å; K45-F55 WeakPolarHBondContact CB-O 3.14Å; K45-F55 PolarHBondContact N-O 3.15Å; W46-F55 AromaticContact CE2-CD2 3.66Å; W46-F55 AromaticContact CH2-CD2 3.58Å; W46-F55 HydrophobicContact CH2-CD2 3.58Å; W46-F55 AromaticContact CH2-CE2 3.7Å; W46-F55 HydrophobicContact CH2-CE2 3.7Å; W46-F55 AromaticContact CZ2-CD2 3.15Å; W46-F55 HydrophobicContact CZ2-CD2 3.15Å; W46-F55 AromaticContact CZ2-CE2 3.46Å; W46-F55 HydrophobicContact CZ2-CE2 3.46Å; W46-F55 VanDerWaalsContact CZ2-CE2 3.46Å; W46-F55 HydrophobicContact CZ2-CG 4.32Å; W46-F55 HydrophobicContact CZ3-CD2 4.46Å; W46-F55 PolarHBondContact N-O 3.13Å; W46-F55 PolarHBondContact O-N 3.33Å; F55-D64 HydrophobicContact CD1-CB 4.09Å; F55-V65 WeakPolarHBondContact CA-O 3.27Å; F55-F66 HydrophobicContact CE1-CB 4.15Å; F55-F66 HydrophobicContact CE1-CD2 4.31Å; F55-F66 HydrophobicContact CE2-CD2 4.35Å; F55-F66 HydrophobicContact CZ-CD2 4.04Å |
| 56 | I | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.3 | 174.8 | -56.2 | 166.2 | 0 | 0 | 0 | 107.1 | V44 V65 V67 V90 F92 A103 V106 | V44-I56 HydrophobicContact CG2-CG1 4.19Å; I56-V65 PolarHBondContact N-O 2.82Å; I56-V65 PolarHBondContact O-N 2.8Å; I56-V67 HydrophobicContact CD1-CB 3.8Å; I56-V67 HydrophobicContact CD1-CG1 3.97Å; I56-V67 HydrophobicContact CD1-CG2 4.06Å; I56-V67 HydrophobicContact CG1-CB 4.13Å; I56-V67 HydrophobicContact CG1-CG1 3.79Å; I56-V90 HydrophobicContact CD1-CG2 3.83Å; I56-V90 HydrophobicContact CG1-CG2 4.3Å; I56-V90 HydrophobicContact CG2-CG2 3.95Å; I56-F92 HydrophobicContact CB-CE1 4.32Å; I56-F92 HydrophobicContact CB-CZ 4.24Å; I56-F92 HydrophobicContact CD1-CD1 4.25Å; I56-F92 HydrophobicContact CD1-CE1 4.36Å; I56-F92 HydrophobicContact CD1-CG 4.46Å; I56-F92 HydrophobicContact CG2-CD1 4.31Å; I56-F92 HydrophobicContact CG2-CE1 3.49Å; I56-F92 VanDerWaalsContact CG2-CE1 3.49Å; I56-F92 HydrophobicContact CG2-CZ 3.77Å; I56-A103 HydrophobicContact CD1-CB 4.22Å; I56-V106 HydrophobicContact CD1-CG1 4.38Å; I56-V106 HydrophobicContact CD1-CG2 4.46Å |
| 57 | N | 96.4 | Very high | 94.5 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123 | 172.1 | -166.1 | -86.7 | 0 | 0 | 0 | 108.8 | G42 T43 K62 D64 | G42-N57 CarbonylContact C-O 3.59Å; G42-N57 WeakPolarHBondContact CA-O 3.48Å; T43-N57 PolarHBondContact N-O 3.33Å; T43-N57 PolarHBondContact O-N 2.85Å; N57-K62 PolarHBondContact ND2-O 3.25Å; N57-D64 PolarHBondContact ND2-OD1 3.19Å |
| 58 | R | 95.2 | Very high | 94.4 | Very high | 25 Ų | 25 | 62.2 Ų | 62.2 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.2 | 176 | -74.9 | 179.2 | 67.7 | 179.4 | 3.9 | 110.1 | V40 D60 K62 E63 V65 F92 | V40-R58 HydrophobicContact CG1-CG 4.1Å; R58-D60 IonicContact NH2-OD2 3.73Å; R58-D60 PolarHBondContact O-N 3.16Å; R58-K62 WeakPolarHBondContact O-CA 2.82Å; R58-K62 PolarHBondContact O-N 3.29Å; R58-E63 PolarHBondContact N-O 2.84Å; R58-E63 IonicContact NH1-OE2 3.66Å; R58-V65 HydrophobicContact CG-CG2 3.64Å; R58-F92 HydrophobicContact CG-CE2 4.35Å; R58-F92 HydrophobicContact CG-CZ 3.8Å |
| 59 | N | 90.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -26 | 176.8 | -64.4 | -16 | 0 | 0 | 0 | 112 | L41 T43 | L41-N59 PolarHBondContact O-N 2.85Å; L41-N59 VanDerWaalsContact O-N 3.12Å; T43-N59 PolarHBondContact OG1-OD1 2.95Å |
| 60 | D | 88 | Confident | 94.4 | Very high | 110 Ų | 110 | 66.3 Ų | 66.3 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -61 | -178.5 | -52.8 | -28.2 | 0 | 0 | 0 | 112.6 | V40 R58 | V40-D60 WeakPolarHBondContact CG1-OD2 3.45Å; R58-D60 IonicContact NH2-OD2 3.73Å; R58-D60 PolarHBondContact O-N 3.16Å |
| 61 | T | 88.9 | Confident | 94.5 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -5.9 | -172.2 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | E63 | T61-E63 WeakPolarHBondContact CB-OE2 3.28Å; T61-E63 PolarHBondContact O-N 2.75Å; T61-E63 VanDerWaalsContact O-N 3.07Å; T61-E63 WeakPolarHBondContact OG1-CG 3.25Å; T61-E63 PolarHBondContact OG1-OE2 2.77Å |
| 62 | K | 91 | Very high | 94.5 | Very high | 164 Ų | 164 | 52.4 Ų | 52.4 | 71% | 0.713 | 26% | 0.261 | S | S | * | . | trans | 57.5 | 12.6 | -172.3 | -59.7 | 178.4 | -178.3 | 172.8 | 0 | 114.6 | N57 R58 | N57-K62 PolarHBondContact ND2-O 3.25Å; R58-K62 WeakPolarHBondContact O-CA 2.82Å; R58-K62 PolarHBondContact O-N 3.29Å | ||
| 63 | E | 92.4 | Very high | 94.4 | Very high | 107 Ų | 107 | 58.7 Ų | 58.7 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 144.4 | 176.4 | -66.3 | 167.2 | 154.1 | 0 | 0 | 110.7 | R58 T61 | R58-E63 PolarHBondContact N-O 2.84Å; R58-E63 IonicContact NH1-OE2 3.66Å; T61-E63 WeakPolarHBondContact CB-OE2 3.28Å; T61-E63 PolarHBondContact O-N 2.75Å; T61-E63 VanDerWaalsContact O-N 3.07Å; T61-E63 WeakPolarHBondContact OG1-CG 3.25Å; T61-E63 PolarHBondContact OG1-OE2 2.77Å |
| 64 | D | 94.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 118.4 | 174.7 | -75.9 | -14.4 | 0 | 0 | 0 | 109.4 | K45 F55 N57 | K45-D64 IonicContact NZ-OD1 3.87Å; K45-D64 IonicContact NZ-OD2 2.69Å; K45-D64 PolarHBondContact NZ-OD2 3.02Å; F55-D64 HydrophobicContact CD1-CB 4.09Å; N57-D64 PolarHBondContact ND2-OD1 3.19Å |
| 65 | V | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.2 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | F55 I56 R58 F92 V94 A101 A103 | F55-V65 WeakPolarHBondContact CA-O 3.27Å; I56-V65 PolarHBondContact N-O 2.82Å; I56-V65 PolarHBondContact O-N 2.8Å; R58-V65 HydrophobicContact CG-CG2 3.64Å; V65-F92 HydrophobicContact CB-CE2 4.06Å; V65-F92 HydrophobicContact CB-CZ 4.47Å; V65-F92 HydrophobicContact CG1-CE2 3.94Å; V65-F92 HydrophobicContact CG2-CE2 4.09Å; V65-F92 HydrophobicContact CG2-CZ 4.43Å; V65-V94 HydrophobicContact CG2-CG1 4.5Å; V65-V94 HydrophobicContact CG2-CG2 4.47Å; V65-A101 HydrophobicContact CG1-CB 4.5Å; V65-A101 HydrophobicContact CG2-CB 4.42Å; V65-A103 HydrophobicContact CG1-CB 3.8Å |
| 66 | F | 96.7 | Very high | 93.8 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 21% | 0.211 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.2 | 177.6 | 175.1 | -106.4 | 0 | 0 | 0 | 110.7 | Y53 F55 H68 A101 E102 A103 | Y53-F66 HydrophobicContact CD2-CE2 4.29Å; Y53-F66 HydrophobicContact CG-CE2 4.2Å; F55-F66 HydrophobicContact CE1-CB 4.15Å; F55-F66 HydrophobicContact CE1-CD2 4.31Å; F55-F66 HydrophobicContact CE2-CD2 4.35Å; F55-F66 HydrophobicContact CZ-CD2 4.04Å; F66-H68 HydrophobicContact CE1-CB 4.03Å; F66-H68 HydrophobicContact CZ-CB 4.3Å; F66-A101 PolarHBondContact N-O 3.26Å; F66-E102 HydrophobicContact CD1-CB 4.48Å; F66-E102 HydrophobicContact CD1-CG 4.09Å; F66-E102 CarbonylContact O-C 3.45Å; F66-E102 WeakPolarHBondContact O-CA 3.48Å; F66-A103 PolarHBondContact O-N 3.31Å |
| 67 | V | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.3 | 174.8 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | F47 Y53 G54 I56 A103 V106 | F47-V67 HydrophobicContact CD2-CG1 4.36Å; Y53-V67 CarbonylContact C-O 3.56Å; Y53-V67 VanDerWaalsContact CA-O 3.25Å; Y53-V67 WeakPolarHBondContact CA-O 3.01Å; G54-V67 PolarHBondContact N-O 2.8Å; G54-V67 WeakPolarHBondContact O-CG1 3.4Å; G54-V67 PolarHBondContact O-N 2.98Å; I56-V67 HydrophobicContact CD1-CB 3.8Å; I56-V67 HydrophobicContact CD1-CG1 3.97Å; I56-V67 HydrophobicContact CD1-CG2 4.06Å; I56-V67 HydrophobicContact CG1-CB 4.13Å; I56-V67 HydrophobicContact CG1-CG1 3.79Å; V67-A103 HydrophobicContact CB-CB 4.17Å; V67-A103 HydrophobicContact CG2-CB 4.39Å; V67-V106 HydrophobicContact CG2-CG2 3.93Å |
| 68 | H | 96.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 71 Ų | 71 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 153.4 | 172.4 | -169.4 | -111.5 | 0 | 0 | 0 | 111.4 | G52 F66 T70 A71 | G52-H68 CarbonylContact O-C 3.52Å; G52-H68 PolarHBondContact O-CD2 2.86Å; G52-H68 VanDerWaalsContact O-CD2 3.31Å; F66-H68 HydrophobicContact CE1-CB 4.03Å; F66-H68 HydrophobicContact CZ-CB 4.3Å; H68-T70 PolarHBondContact ND1-N 2.82Å; H68-T70 PolarHBondContact ND1-OG1 3.03Å; H68-T70 PolarHBondContact O-N 2.97Å; H68-T70 VanDerWaalsContact O-N 3.08Å; H68-A71 VanDerWaalsContact O-CB 3.29Å; H68-A71 WeakPolarHBondContact O-CB 3.42Å; H68-A71 PolarHBondContact O-N 3.45Å |
| 69 | Q | 95.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 70.9 Ų | 70.9 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.8 | -179.3 | 62.5 | 171.1 | 4.7 | 0 | 0 | 113.6 | F47 G52 A71 R82 | F47-Q69 HydrophobicContact CZ-CB 4.26Å; G52-Q69 WeakPolarHBondContact O-CB 3.42Å; G52-Q69 PolarHBondContact O-N 2.87Å; Q69-A71 VanDerWaalsContact C-N 3.34Å; Q69-R82 HydrophobicContact CB-CB 4.3Å; Q69-R82 VanDerWaalsContact O-CD 3.28Å; Q69-R82 WeakPolarHBondContact O-CD 3.1Å |
| 70 | T | 94.8 | Very high | 92.7 | Very high | 102 Ų | 102 | 75 Ų | 75 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -25.2 | 177.4 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | H68 I72 | H68-T70 PolarHBondContact ND1-N 2.82Å; H68-T70 PolarHBondContact ND1-OG1 3.03Å; H68-T70 PolarHBondContact O-N 2.97Å; H68-T70 VanDerWaalsContact O-N 3.08Å; T70-I72 PolarHBondContact O-N 3.07Å |
| 71 | A | 94.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 72.8 Ų | 72.8 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -18.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H68 Q69 K73 A103 N105 V106 | H68-A71 VanDerWaalsContact O-CB 3.29Å; H68-A71 WeakPolarHBondContact O-CB 3.42Å; H68-A71 PolarHBondContact O-N 3.45Å; Q69-A71 VanDerWaalsContact C-N 3.34Å; A71-K73 PolarHBondContact O-N 3.32Å; A71-K73 VanDerWaalsContact O-N 3.09Å; A71-A103 WeakPolarHBondContact CB-O 3.25Å; A71-N105 PolarHBondContact O-N 3.48Å; A71-V106 HydrophobicContact CB-CG2 4.18Å; A71-V106 PolarHBondContact O-N 3.3Å |
| 72 | I | 95.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 104.3 | 178.5 | -55.8 | 171.3 | 0 | 0 | 0 | 109 | F47 T70 R82 V84 V114 | F47-I72 HydrophobicContact CZ-CD1 4.45Å; T70-I72 PolarHBondContact O-N 3.07Å; I72-R82 HydrophobicContact CB-CB 4.39Å; I72-R82 HydrophobicContact CD1-CB 4.1Å; I72-R82 PolarHBondContact O-NH1 2.92Å; I72-V84 HydrophobicContact CD1-CG1 3.93Å; I72-V84 HydrophobicContact CG1-CG1 4.28Å; I72-V114 HydrophobicContact CG2-CG2 4.03Å |
| 73 | K | 93.2 | Very high | 93.3 | Very high | 132 Ų | 132 | 67.3 Ų | 67.3 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | trans | -74.4 | -54.6 | 179 | -91.4 | -169 | 166.6 | 165.7 | 0 | 111.6 | A71 R82 N105 V106 T107 | A71-K73 PolarHBondContact O-N 3.32Å; A71-K73 VanDerWaalsContact O-N 3.09Å; K73-R82 PolarHBondContact O-NH1 2.9Å; K73-N105 HydrophobicContact CD-CB 3.94Å; K73-N105 VanDerWaalsContact CD-OD1 3.25Å; K73-N105 WeakPolarHBondContact CD-OD1 3.32Å; K73-N105 WeakPolarHBondContact CE-OD1 3.2Å; K73-N105 VanDerWaalsContact NZ-CG 3.31Å; K73-N105 PolarHBondContact NZ-OD1 3.04Å; K73-V106 PolarHBondContact N-O 2.74Å; K73-V106 VanDerWaalsContact N-O 3.09Å; K73-T107 HydrophobicContact CB-CG2 4.33Å | ||
| 74 | K | 91.8 | Very high | 93.5 | Very high | 109 Ų | 109 | 62.2 Ų | 62.2 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -104.2 | 92.1 | -175.9 | -65.1 | -176.8 | -177.4 | -177 | 0 | 111.4 | T107 G111 A113 V114 | K74-T107 HydrophobicContact CB-CG2 4.03Å; K74-T107 HydrophobicContact CD-CG2 3.89Å; K74-T107 HydrophobicContact CG-CG2 3.86Å; K74-G111 WeakPolarHBondContact CD-O 3.33Å; K74-G111 WeakPolarHBondContact CE-O 3.43Å; K74-G111 PolarHBondContact NZ-O 2.7Å; K74-A113 HydrophobicContact CB-CB 4.46Å; K74-V114 PolarHBondContact O-N 3.09Å; K74-V114 VanDerWaalsContact O-N 3.11Å |
| 75 | N | 93.2 | Very high | 93.5 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | trans | -79.8 | 151.6 | 176.6 | 178.9 | 52.8 | 0 | 0 | 0 | 112.7 | K79 L81 R82 | N75-K79 PolarHBondContact ND2-O 3.09Å; N75-L81 PolarHBondContact OD1-O 3.48Å; N75-R82 HydrophobicContact CB-CG 4.11Å; N75-R82 WeakPolarHBondContact OD1-CA 3.36Å | ||
| 76 | N | 92.4 | Very high | 93.5 | Very high | 29 Ų | 29 | 63 Ų | 63 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | -59.3 | 122.6 | 172.1 | -164.9 | -36.5 | 0 | 0 | 0 | 111.1 | R78 K79 V114 Q115 | N76-R78 PolarHBondContact O-N 3.44Å; N76-R78 VanDerWaalsContact O-N 3.12Å; N76-R78 VanDerWaalsContact OD1-CB 3.32Å; N76-R78 WeakPolarHBondContact OD1-CB 3.39Å; N76-R78 PolarHBondContact OD1-N 2.95Å; N76-K79 HydrophobicContact CB-CB 4.1Å; N76-K79 HydrophobicContact CB-CG 3.91Å; N76-K79 PolarHBondContact O-N 2.69Å; N76-K79 VanDerWaalsContact O-N 3.09Å; N76-V114 VanDerWaalsContact CB-O 3.27Å; N76-V114 WeakPolarHBondContact CB-O 3.17Å; N76-Q115 PolarHBondContact ND2-O 3.4Å | ||
| 77 | P | 89.3 | Confident | 93.4 | Very high | 96 Ų | 96 | 63.1 Ų | 63.1 | 62% | 0.623 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21 | 178 | 25.6 | -35.1 | 0 | 0 | 0 | 113.3 | R123 | P77-R123 WeakPolarHBondContact O-CD 3.34Š|
| 78 | R | 88.6 | Confident | 93.4 | Very high | 193 Ų | 193 | 64.3 Ų | 64.3 | 73% | 0.728 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22.9 | 177.9 | -62.4 | -177.9 | 168.5 | 160.4 | -1.5 | 113 | N76 D122 R123 | N76-R78 PolarHBondContact O-N 3.44Å; N76-R78 VanDerWaalsContact O-N 3.12Å; N76-R78 VanDerWaalsContact OD1-CB 3.32Å; N76-R78 WeakPolarHBondContact OD1-CB 3.39Å; N76-R78 PolarHBondContact OD1-N 2.95Å; R78-D122 CarbonylContact O-C 3.56Å; R78-D122 WeakPolarHBondContact O-CA 3.42Å; R78-R123 PolarHBondContact O-N 2.93Å |
| 79 | K | 90.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 10% | 0.1 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -95.6 | 139.7 | -178.8 | -63 | -66.9 | -173.5 | -175.4 | 0 | 111.2 | N75 N76 A120 D122 R123 | N75-K79 PolarHBondContact ND2-O 3.09Å; N76-K79 HydrophobicContact CB-CB 4.1Å; N76-K79 HydrophobicContact CB-CG 3.91Å; N76-K79 PolarHBondContact O-N 2.69Å; N76-K79 VanDerWaalsContact O-N 3.09Å; K79-A120 HydrophobicContact CD-CB 4.06Å; K79-A120 WeakPolarHBondContact CD-O 3.37Å; K79-A120 PolarHBondContact NZ-O 3.11Å; K79-D122 WeakPolarHBondContact CD-OD1 3.36Å; K79-D122 WeakPolarHBondContact CE-OD1 3.44Å; K79-D122 IonicContact NZ-OD1 2.7Å; K79-D122 PolarHBondContact NZ-OD1 3.08Å; K79-D122 IonicContact NZ-OD2 3.8Å; K79-R123 PolarHBondContact O-NE 3.02Å; K79-R123 PolarHBondContact O-NH2 2.85Å |
| 80 | Y | 87.6 | Confident | 93.4 | Very high | 167 Ų | 167 | 61.5 Ų | 61.5 | 66% | 0.655 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -74 | -46 | 177.3 | -176 | -98.7 | 0 | 0 | 0 | 111.1 | A121 R123 | Y80-A121 PolarHBondContact N-O 3.15Å; Y80-R123 HydrophobicContact CD2-CG 4.4Å |
| 81 | L | 91.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -89.3 | 146.6 | -178.3 | -61 | 172.2 | 0 | 0 | 0 | 111.4 | V49 N75 S83 | V49-L81 HydrophobicContact CG1-CD1 3.7Å; N75-L81 PolarHBondContact OD1-O 3.48Å; L81-S83 PolarHBondContact O-N 2.75Å |
| 82 | R | 94.4 | Very high | 93.5 | Very high | 115 Ų | 115 | 57.8 Ų | 57.8 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | trans | -74.3 | 114.2 | 168.5 | -61.3 | -175.6 | -177 | -101.6 | -1.7 | 108.1 | Q69 I72 K73 N75 | Q69-R82 HydrophobicContact CB-CB 4.3Å; Q69-R82 VanDerWaalsContact O-CD 3.28Å; Q69-R82 WeakPolarHBondContact O-CD 3.1Å; I72-R82 HydrophobicContact CB-CB 4.39Å; I72-R82 HydrophobicContact CD1-CB 4.1Å; I72-R82 PolarHBondContact O-NH1 2.92Å; K73-R82 PolarHBondContact O-NH1 2.9Å; N75-R82 HydrophobicContact CB-CG 4.11Å; N75-R82 WeakPolarHBondContact OD1-CA 3.36Å | ||
| 83 | S | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -150.5 | 160.2 | -179.8 | 59.4 | 0 | 0 | 0 | 0 | 109.3 | L81 V114 G116 S117 A120 | L81-S83 PolarHBondContact O-N 2.75Å; S83-V114 WeakPolarHBondContact O-CG2 3.19Å; S83-G116 WeakPolarHBondContact O-CA 3.49Å; S83-S117 PolarHBondContact OG-N 3.28Å; S83-A120 WeakPolarHBondContact OG-CB 3.29Å | ||
| 84 | V | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -115.5 | 152.2 | 171.3 | -67.9 | 0 | 0 | 0 | 0 | 109.5 | V44 F47 I72 V106 V114 S117 | V44-V84 HydrophobicContact CG1-CG2 3.75Å; V44-V84 HydrophobicContact CG2-CB 4Å; V44-V84 HydrophobicContact CG2-CG2 3.92Å; F47-V84 HydrophobicContact CB-CG2 3.57Å; F47-V84 HydrophobicContact CD1-CG2 4.38Å; F47-V84 HydrophobicContact CD2-CG2 3.53Å; F47-V84 HydrophobicContact CE2-CG2 4.3Å; F47-V84 HydrophobicContact CG-CG2 3.57Å; I72-V84 HydrophobicContact CD1-CG1 3.93Å; I72-V84 HydrophobicContact CG1-CG1 4.28Å; V84-V106 HydrophobicContact CG1-CG1 4.39Å; V84-V114 HydrophobicContact CG1-CB 4.41Å; V84-V114 HydrophobicContact CG1-CG1 4.23Å; V84-V114 HydrophobicContact CG1-CG2 4.45Å; V84-S117 WeakPolarHBondContact O-CA 3.37Å; V84-S117 WeakPolarHBondContact O-CB 3.27Å; V84-S117 PolarHBondContact O-N 3Å | ||
| 85 | G | 95.3 | Very high | 93.7 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | trans | -76.3 | 141.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V44 E88 | V44-G85 WeakPolarHBondContact CB-O 3.46Å; V44-G85 VanDerWaalsContact CG1-O 3.31Å; V44-G85 WeakPolarHBondContact CG1-O 3.28Å; G85-E88 WeakPolarHBondContact CA-OE2 3.38Å; G85-E88 PolarHBondContact N-OE2 2.86Å; G85-E88 WeakPolarHBondContact O-CB 3.33Å; G85-E88 PolarHBondContact O-N 2.91Å | ||
| 86 | D | 95.3 | Very high | 93.8 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 133.4 | 170.1 | -48.5 | -49.6 | 0 | 0 | 0 | 108.8 | W46 F47 E88 | W46-D86 WeakPolarHBondContact CA-OD1 3.37Å; F47-D86 PolarHBondContact N-OD1 2.83Å; D86-E88 PolarHBondContact O-N 3.23Å |
| 87 | G | 95.1 | Very high | 93.8 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 4.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | V44 | V44-G87 WeakPolarHBondContact O-CA 3.38Å; V44-G87 PolarHBondContact O-N 3.05Å |
| 88 | E | 95.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | trans | -73.3 | 133.6 | 176.4 | -171.7 | 179.9 | 166.9 | 0 | 0 | 110.2 | V44 G85 D86 V90 V114 Q115 G116 | V44-E88 HydrophobicContact CG2-CB 4.32Å; V44-E88 WeakPolarHBondContact CG2-O 3.5Å; V44-E88 PolarHBondContact N-O 3.38Å; G85-E88 WeakPolarHBondContact CA-OE2 3.38Å; G85-E88 PolarHBondContact N-OE2 2.86Å; G85-E88 WeakPolarHBondContact O-CB 3.33Å; G85-E88 PolarHBondContact O-N 2.91Å; D86-E88 PolarHBondContact O-N 3.23Å; E88-V90 HydrophobicContact CG-CG1 4.09Å; E88-V114 VanDerWaalsContact OE1-CA 3.28Å; E88-V114 WeakPolarHBondContact OE1-CA 3.39Å; E88-V114 WeakPolarHBondContact OE1-CB 3.45Å; E88-Q115 PolarHBondContact OE1-N 2.95Å; E88-Q115 PolarHBondContact OE2-N 3.07Å; E88-G116 PolarHBondContact OE2-N 2.94Å | ||
| 89 | T | 95.8 | Very high | 93.7 | Very high | 63 Ų | 63 | 55.1 Ų | 55.1 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 128.7 | 169.1 | -50.1 | 0 | 0 | 0 | 0 | 109.2 | G42 P109 | G42-T89 CarbonylContact O-C 3.59Å; G42-T89 WeakPolarHBondContact O-CA 3.19Å; T89-P109 WeakPolarHBondContact O-CD 3.42Å |
| 90 | V | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.3 | -176.6 | -66.4 | 0 | 0 | 0 | 0 | 110.9 | L41 G42 V44 I56 E88 F92 V106 T107 V114 | L41-V90 WeakPolarHBondContact CA-O 3.19Å; G42-V90 PolarHBondContact N-O 3.16Å; G42-V90 PolarHBondContact O-N 3.47Å; V44-V90 HydrophobicContact CG2-CG1 4.04Å; V44-V90 HydrophobicContact CG2-CG2 3.94Å; I56-V90 HydrophobicContact CD1-CG2 3.83Å; I56-V90 HydrophobicContact CG1-CG2 4.3Å; I56-V90 HydrophobicContact CG2-CG2 3.95Å; E88-V90 HydrophobicContact CG-CG1 4.09Å; V90-F92 HydrophobicContact CG2-CD1 4.11Å; V90-F92 HydrophobicContact CG2-CE1 4.45Å; V90-V106 HydrophobicContact CB-CG1 4.16Å; V90-V106 HydrophobicContact CG1-CG1 4.47Å; V90-V106 HydrophobicContact CG2-CG1 4.31Å; V90-T107 CarbonylContact C-O 3.6Å; V90-T107 WeakPolarHBondContact CA-O 3.19Å; V90-T107 WeakPolarHBondContact CB-O 3.34Å; V90-V114 HydrophobicContact CG1-CG1 4.37Å |
| 91 | E | 96.4 | Very high | 94.1 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.9 | 174.6 | -171.7 | -176.6 | 144.7 | 0 | 0 | 109.2 | K39 V40 L41 T107 G110 | K39-E91 HydrophobicContact CB-CG 4.28Å; V40-E91 WeakPolarHBondContact O-CA 3.31Å; L41-E91 HydrophobicContact CD2-CB 3.85Å; L41-E91 HydrophobicContact CD2-CG 4.14Å; E91-T107 PolarHBondContact N-O 2.85Å; E91-T107 PolarHBondContact O-N 2.85Å; E91-T107 VanDerWaalsContact O-O 3.13Å; E91-T107 PolarHBondContact O-OG1 3.12Å; E91-G110 PolarHBondContact OE2-N 2.79Å |
| 92 | F | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 162.8 | -174.6 | 63.1 | -80.2 | 0 | 0 | 0 | 112.6 | K39 V40 I56 R58 V65 V90 V94 A103 V106 | K39-F92 CarbonylContact C-O 3.54Å; K39-F92 PolarHBondContact N-O 2.95Å; V40-F92 HydrophobicContact CG1-CZ 4.37Å; V40-F92 PolarHBondContact N-O 2.85Å; V40-F92 WeakPolarHBondContact O-CD1 3.38Å; V40-F92 PolarHBondContact O-N 2.82Å; I56-F92 HydrophobicContact CB-CE1 4.32Å; I56-F92 HydrophobicContact CB-CZ 4.24Å; I56-F92 HydrophobicContact CD1-CD1 4.25Å; I56-F92 HydrophobicContact CD1-CE1 4.36Å; I56-F92 HydrophobicContact CD1-CG 4.46Å; I56-F92 HydrophobicContact CG2-CD1 4.31Å; I56-F92 HydrophobicContact CG2-CE1 3.49Å; I56-F92 VanDerWaalsContact CG2-CE1 3.49Å; I56-F92 HydrophobicContact CG2-CZ 3.77Å; R58-F92 HydrophobicContact CG-CE2 4.35Å; R58-F92 HydrophobicContact CG-CZ 3.8Å; V65-F92 HydrophobicContact CB-CE2 4.06Å; V65-F92 HydrophobicContact CB-CZ 4.47Å; V65-F92 HydrophobicContact CG1-CE2 3.94Å; V65-F92 HydrophobicContact CG2-CE2 4.09Å; V65-F92 HydrophobicContact CG2-CZ 4.43Å; V90-F92 HydrophobicContact CG2-CD1 4.11Å; V90-F92 HydrophobicContact CG2-CE1 4.45Å; F92-V94 HydrophobicContact CD2-CG2 4.23Å; F92-V94 HydrophobicContact CE2-CG2 3.79Å; F92-A103 HydrophobicContact CB-CB 4.41Å; F92-A103 HydrophobicContact CD2-CB 3.64Å; F92-A103 HydrophobicContact CE2-CB 4.2Å; F92-A103 HydrophobicContact CG-CB 4.23Å; F92-V106 HydrophobicContact CB-CB 4.35Å; F92-V106 HydrophobicContact CB-CG1 4.5Å; F92-V106 HydrophobicContact CB-CG2 3.89Å |
| 93 | D | 95.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.4 | 171.3 | -57.8 | -34.8 | 0 | 0 | 0 | 109.1 | A37 T38 K39 A103 A104 N105 | A37-D93 CarbonylContact O-C 3.53Å; A37-D93 WeakPolarHBondContact O-CA 3.44Å; T38-D93 VanDerWaalsContact CA-OD1 3.24Å; T38-D93 WeakPolarHBondContact CA-OD1 3.03Å; K39-D93 PolarHBondContact N-OD1 3.4Å; D93-A103 CarbonylContact O-C 3.58Å; D93-A103 WeakPolarHBondContact O-CA 3.37Å; D93-A104 HydrophobicContact CB-CB 4.43Å; D93-A104 PolarHBondContact N-O 2.69Å; D93-A104 PolarHBondContact O-N 2.85Å; D93-N105 WeakPolarHBondContact OD2-CB 3.43Å; D93-N105 PolarHBondContact OD2-ND2 2.8Å |
| 94 | V | 95.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.7 | 175 | -172 | 0 | 0 | 0 | 0 | 107.8 | V35 I36 A37 V40 V65 F92 A101 | V35-V94 CarbonylContact C-O 3.48Å; I36-V94 HydrophobicContact CB-CB 4.4Å; I36-V94 HydrophobicContact CB-CG1 4.26Å; I36-V94 HydrophobicContact CD1-CG1 4.2Å; I36-V94 PolarHBondContact N-O 3.5Å; A37-V94 HydrophobicContact CB-CB 4.12Å; A37-V94 HydrophobicContact CB-CG2 4.11Å; A37-V94 PolarHBondContact N-O 2.75Å; A37-V94 PolarHBondContact O-N 3.43Å; V40-V94 HydrophobicContact CG2-CG2 4.24Å; V65-V94 HydrophobicContact CG2-CG1 4.5Å; V65-V94 HydrophobicContact CG2-CG2 4.47Å; F92-V94 HydrophobicContact CD2-CG2 4.23Å; F92-V94 HydrophobicContact CE2-CG2 3.79Å; V94-A101 HydrophobicContact CG1-CB 3.94Å |
| 95 | V | 94.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 151.9 | 176.6 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | K33 K34 V35 G97 E102 A104 | K33-V95 HydrophobicContact CB-CB 4.1Å; K33-V95 HydrophobicContact CB-CG2 4.38Å; K33-V95 HydrophobicContact CD-CG2 4.18Å; K34-V95 CarbonylContact O-C 3.6Å; K34-V95 WeakPolarHBondContact O-CA 3.38Å; V35-V95 HydrophobicContact CB-CG1 4.48Å; V35-V95 HydrophobicContact CG2-CG1 4.04Å; V95-G97 PolarHBondContact O-N 3.08Å; V95-E102 HydrophobicContact CG2-CB 4.05Å; V95-E102 HydrophobicContact CG2-CG 4.34Å; V95-E102 VanDerWaalsContact CG2-O 3.28Å; V95-E102 WeakPolarHBondContact CG2-O 3.28Å; V95-E102 PolarHBondContact N-O 2.79Å; V95-E102 PolarHBondContact O-N 3.37Å; V95-A104 HydrophobicContact CG1-CB 3.69Å; V95-A104 HydrophobicContact CG2-CB 3.97Å |
| 96 | E | 94.3 | Very high | 94.3 | Very high | 105 Ų | 105 | 45.7 Ų | 45.7 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 112.3 | 172.1 | -163.9 | 170.3 | 177.1 | 0 | 0 | 109.2 | K34 I36 | K34-E96 HydrophobicContact CB-CB 4.3Å; K34-E96 IonicContact NZ-OE2 3.94Å; K34-E96 PolarHBondContact O-N 3.45Å; I36-E96 HydrophobicContact CD1-CB 4.05Å; I36-E96 HydrophobicContact CG1-CB 4.35Å |
| 97 | G | 91.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 43 Ų | 43 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V95 K99 G100 | V95-G97 PolarHBondContact O-N 3.08Å; G97-K99 PolarHBondContact O-N 3.12Å; G97-K99 VanDerWaalsContact O-N 3.13Å; G97-G100 CarbonylContact C-O 3.58Å; G97-G100 VanDerWaalsContact CA-O 3.27Å; G97-G100 WeakPolarHBondContact CA-O 3.38Å; G97-G100 PolarHBondContact N-O 3.09Å; G97-G100 PolarHBondContact O-N 2.88Å; G97-G100 VanDerWaalsContact O-N 3.15Å |
| 98 | E | 89.3 | Confident | 94.4 | Very high | 189 Ų | 189 | 40.7 Ų | 40.7 | 88% | 0.883 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.9 | -177.8 | -61.5 | 173.4 | 178.3 | 0 | 0 | 113.5 | ||
| 99 | K | 88.3 | Confident | 94.3 | Very high | 184 Ų | 184 | 42.9 Ų | 42.9 | 80% | 0.8 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 20.2 | -176.4 | -61.8 | -177.9 | -179.3 | 178.7 | 0 | 112.5 | G97 | G97-K99 PolarHBondContact O-N 3.12Å; G97-K99 VanDerWaalsContact O-N 3.13Å |
| 100 | G | 91.5 | Very high | 94.1 | Very high | 38 Ų | 38 | 43.4 Ų | 43.4 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.8 | -151.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G97 E102 | G97-G100 CarbonylContact C-O 3.58Å; G97-G100 VanDerWaalsContact CA-O 3.27Å; G97-G100 WeakPolarHBondContact CA-O 3.38Å; G97-G100 PolarHBondContact N-O 3.09Å; G97-G100 PolarHBondContact O-N 2.88Å; G97-G100 VanDerWaalsContact O-N 3.15Å; G100-E102 PolarHBondContact O-N 3.41Å |
| 101 | A | 93.9 | Very high | 93.8 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 31% | 0.306 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 118.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V65 F66 V94 | V65-A101 HydrophobicContact CG1-CB 4.5Å; V65-A101 HydrophobicContact CG2-CB 4.42Å; F66-A101 PolarHBondContact N-O 3.26Å; V94-A101 HydrophobicContact CG1-CB 3.94Å |
| 102 | E | 95.6 | Very high | 93.7 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.8 | 177.1 | 177.8 | 177.3 | -171.2 | 0 | 0 | 109.5 | K33 F66 V95 G100 | K33-E102 IonicContact NZ-OE1 3.71Å; K33-E102 IonicContact NZ-OE2 2.69Å; K33-E102 PolarHBondContact NZ-OE2 2.77Å; F66-E102 HydrophobicContact CD1-CB 4.48Å; F66-E102 HydrophobicContact CD1-CG 4.09Å; F66-E102 CarbonylContact O-C 3.45Å; F66-E102 WeakPolarHBondContact O-CA 3.48Å; V95-E102 HydrophobicContact CG2-CB 4.05Å; V95-E102 HydrophobicContact CG2-CG 4.34Å; V95-E102 VanDerWaalsContact CG2-O 3.28Å; V95-E102 WeakPolarHBondContact CG2-O 3.28Å; V95-E102 PolarHBondContact N-O 2.79Å; V95-E102 PolarHBondContact O-N 3.37Å; G100-E102 PolarHBondContact O-N 3.41Å |
| 103 | A | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 132.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | I56 V65 F66 V67 A71 F92 D93 V106 | I56-A103 HydrophobicContact CD1-CB 4.22Å; V65-A103 HydrophobicContact CG1-CB 3.8Å; F66-A103 PolarHBondContact O-N 3.31Å; V67-A103 HydrophobicContact CB-CB 4.17Å; V67-A103 HydrophobicContact CG2-CB 4.39Å; A71-A103 WeakPolarHBondContact CB-O 3.25Å; F92-A103 HydrophobicContact CB-CB 4.41Å; F92-A103 HydrophobicContact CD2-CB 3.64Å; F92-A103 HydrophobicContact CE2-CB 4.2Å; F92-A103 HydrophobicContact CG-CB 4.23Å; D93-A103 CarbonylContact O-C 3.58Å; D93-A103 WeakPolarHBondContact O-CA 3.37Å; A103-V106 HydrophobicContact CB-CG2 3.85Å |
| 104 | A | 95.2 | Very high | 93.7 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 159.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | D93 V95 V106 | D93-A104 HydrophobicContact CB-CB 4.43Å; D93-A104 PolarHBondContact N-O 2.69Å; D93-A104 PolarHBondContact O-N 2.85Å; V95-A104 HydrophobicContact CG1-CB 3.69Å; V95-A104 HydrophobicContact CG2-CB 3.97Å; A104-V106 VanDerWaalsContact C-N 3.26Å; A104-V106 PolarHBondContact O-N 3.28Å; A104-V106 VanDerWaalsContact O-N 3.16Å |
| 105 | N | 94.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.8 | 36.1 | 171.5 | -56.7 | -27.7 | 0 | 0 | 0 | 114.9 | A71 K73 D93 T107 | A71-N105 PolarHBondContact O-N 3.48Å; K73-N105 HydrophobicContact CD-CB 3.94Å; K73-N105 VanDerWaalsContact CD-OD1 3.25Å; K73-N105 WeakPolarHBondContact CD-OD1 3.32Å; K73-N105 WeakPolarHBondContact CE-OD1 3.2Å; K73-N105 VanDerWaalsContact NZ-CG 3.31Å; K73-N105 PolarHBondContact NZ-OD1 3.04Å; D93-N105 WeakPolarHBondContact OD2-CB 3.43Å; D93-N105 PolarHBondContact OD2-ND2 2.8Å; N105-T107 PolarHBondContact O-N 3.02Å |
| 106 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 126.4 | -174.7 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | I56 V67 A71 K73 V84 V90 F92 A103 A104 | I56-V106 HydrophobicContact CD1-CG1 4.38Å; I56-V106 HydrophobicContact CD1-CG2 4.46Å; V67-V106 HydrophobicContact CG2-CG2 3.93Å; A71-V106 HydrophobicContact CB-CG2 4.18Å; A71-V106 PolarHBondContact O-N 3.3Å; K73-V106 PolarHBondContact N-O 2.74Å; K73-V106 VanDerWaalsContact N-O 3.09Å; V84-V106 HydrophobicContact CG1-CG1 4.39Å; V90-V106 HydrophobicContact CB-CG1 4.16Å; V90-V106 HydrophobicContact CG1-CG1 4.47Å; V90-V106 HydrophobicContact CG2-CG1 4.31Å; F92-V106 HydrophobicContact CB-CB 4.35Å; F92-V106 HydrophobicContact CB-CG1 4.5Å; F92-V106 HydrophobicContact CB-CG2 3.89Å; A103-V106 HydrophobicContact CB-CG2 3.85Å; A104-V106 VanDerWaalsContact C-N 3.26Å; A104-V106 PolarHBondContact O-N 3.28Å; A104-V106 VanDerWaalsContact O-N 3.16Å |
| 107 | T | 96.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 166.3 | 178 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | K73 K74 V90 E91 N105 | K73-T107 HydrophobicContact CB-CG2 4.33Å; K74-T107 HydrophobicContact CB-CG2 4.03Å; K74-T107 HydrophobicContact CD-CG2 3.89Å; K74-T107 HydrophobicContact CG-CG2 3.86Å; V90-T107 CarbonylContact C-O 3.6Å; V90-T107 WeakPolarHBondContact CA-O 3.19Å; V90-T107 WeakPolarHBondContact CB-O 3.34Å; E91-T107 PolarHBondContact N-O 2.85Å; E91-T107 PolarHBondContact O-N 2.85Å; E91-T107 VanDerWaalsContact O-O 3.13Å; E91-T107 PolarHBondContact O-OG1 3.12Å; N105-T107 PolarHBondContact O-N 3.02Å |
| 108 | G | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -70.6 | 169.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111 | G110 G111 V112 | G108-G110 PolarHBondContact O-N 2.87Å; G108-G111 WeakPolarHBondContact O-CA 3.13Å; G108-G111 PolarHBondContact O-N 3.16Å; G108-V112 WeakPolarHBondContact CA-O 3.24Å; G108-V112 PolarHBondContact N-O 3.48Å; G108-V112 PolarHBondContact O-N 2.84Å |
| 109 | P | 93.7 | Very high | 93.4 | Very high | 70 Ų | 70 | 54 Ų | 54 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -56.7 | 134.2 | -179 | 24.9 | -34.3 | 0 | 0 | 0 | 110.8 | T89 G111 V112 | T89-P109 WeakPolarHBondContact O-CD 3.42Å; P109-G111 PolarHBondContact O-N 3.3Å; P109-V112 WeakPolarHBondContact O-CG2 2.88Å; P109-V112 PolarHBondContact O-N 3.38Å |
| 110 | G | 91.2 | Very high | 93.6 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 75% | 0.753 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | 70.6 | 20.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E91 G108 V112 | E91-G110 PolarHBondContact OE2-N 2.79Å; G108-G110 PolarHBondContact O-N 2.87Å; G110-V112 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 2.77Å |
| 111 | G | 90.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | 70.5 | 22.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K74 G108 P109 | K74-G111 WeakPolarHBondContact CD-O 3.33Å; K74-G111 WeakPolarHBondContact CE-O 3.43Å; K74-G111 PolarHBondContact NZ-O 2.7Å; G108-G111 WeakPolarHBondContact O-CA 3.13Å; G108-G111 PolarHBondContact O-N 3.16Å; P109-G111 PolarHBondContact O-N 3.3Å |
| 112 | V | 94.2 | Very high | 93.3 | Very high | 93 Ų | 93 | 46.7 Ų | 46.7 | 56% | 0.564 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 161.8 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | G108 P109 G110 | G108-V112 WeakPolarHBondContact CA-O 3.24Å; G108-V112 PolarHBondContact N-O 3.48Å; G108-V112 PolarHBondContact O-N 2.84Å; P109-V112 WeakPolarHBondContact O-CG2 2.88Å; P109-V112 PolarHBondContact O-N 3.38Å; G110-V112 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 2.77Å |
| 113 | A | 94.1 | Very high | 92.7 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 35% | 0.347 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 139.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | K74 | K74-A113 HydrophobicContact CB-CB 4.46Š|
| 114 | V | 95.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 147 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | I72 K74 N76 S83 V84 E88 V90 G116 | I72-V114 HydrophobicContact CG2-CG2 4.03Å; K74-V114 PolarHBondContact O-N 3.09Å; K74-V114 VanDerWaalsContact O-N 3.11Å; N76-V114 VanDerWaalsContact CB-O 3.27Å; N76-V114 WeakPolarHBondContact CB-O 3.17Å; S83-V114 WeakPolarHBondContact O-CG2 3.19Å; V84-V114 HydrophobicContact CG1-CB 4.41Å; V84-V114 HydrophobicContact CG1-CG1 4.23Å; V84-V114 HydrophobicContact CG1-CG2 4.45Å; E88-V114 VanDerWaalsContact OE1-CA 3.28Å; E88-V114 WeakPolarHBondContact OE1-CA 3.39Å; E88-V114 WeakPolarHBondContact OE1-CB 3.45Å; V90-V114 HydrophobicContact CG1-CG1 4.37Å; V114-G116 VanDerWaalsContact C-N 3.31Å |
| 115 | Q | 92.4 | Very high | 90.1 | Very high | 143 Ų | 143 | 63.6 Ų | 63.6 | 67% | 0.668 | 34% | 0.337 | S | S | * | . | trans | -65.8 | -40.1 | 176.5 | -175.2 | 173.1 | -23.6 | 0 | 0 | 110.4 | N76 E88 | N76-Q115 PolarHBondContact ND2-O 3.4Å; E88-Q115 PolarHBondContact OE1-N 2.95Å; E88-Q115 PolarHBondContact OE2-N 3.07Å | ||
| 116 | G | 93.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 6% | 0.062 | 36% | 0.363 | C | S | . | . | trans | 82.3 | 162.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S83 E88 V114 | S83-G116 WeakPolarHBondContact O-CA 3.49Å; E88-G116 PolarHBondContact OE2-N 2.94Å; V114-G116 VanDerWaalsContact C-N 3.31Å | ||
| 117 | S | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | trans | -65.3 | 142.2 | -171.9 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | V49 S83 V84 Y119 A120 | V49-S117 VanDerWaalsContact CG2-OG 3.32Å; V49-S117 WeakPolarHBondContact CG2-OG 3.45Å; S83-S117 PolarHBondContact OG-N 3.28Å; V84-S117 WeakPolarHBondContact O-CA 3.37Å; V84-S117 WeakPolarHBondContact O-CB 3.27Å; V84-S117 PolarHBondContact O-N 3Å; S117-Y119 PolarHBondContact O-N 3.16Å; S117-Y119 VanDerWaalsContact O-N 3.16Å; S117-Y119 WeakPolarHBondContact OG-CD2 3.47Å; S117-Y119 PolarHBondContact OG-N 3.21Å; S117-A120 WeakPolarHBondContact O-CB 3.32Å; S117-A120 PolarHBondContact O-N 3.47Å | ||
| 118 | K | 90.9 | Very high | 84.5 | Confident | 155 Ų | 155 | 91.1 Ų | 91.1 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.4 | 170.2 | 68.9 | -174.2 | -175.1 | -174.5 | 0 | 112.7 | ||
| 119 | Y | 90.1 | Very high | 82.3 | Confident | 154 Ų | 154 | 100.7 Ų | 100.7 | 60% | 0.604 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -14 | 179.9 | -53.3 | -68.5 | 0 | 0 | 0 | 113.4 | S117 | S117-Y119 PolarHBondContact O-N 3.16Å; S117-Y119 VanDerWaalsContact O-N 3.16Å; S117-Y119 WeakPolarHBondContact OG-CD2 3.47Å; S117-Y119 PolarHBondContact OG-N 3.21Å |
| 120 | A | 91.3 | Very high | 80.6 | Confident | 2 Ų | 2 | 102.2 Ų | 102.2 | 2% | 0.017 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -72.5 | 138.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | V49 K79 S83 S117 D122 | V49-A120 HydrophobicContact CG1-CB 4.1Å; V49-A120 HydrophobicContact CG2-CB 4.46Å; K79-A120 HydrophobicContact CD-CB 4.06Å; K79-A120 WeakPolarHBondContact CD-O 3.37Å; K79-A120 PolarHBondContact NZ-O 3.11Å; S83-A120 WeakPolarHBondContact OG-CB 3.29Å; S117-A120 WeakPolarHBondContact O-CB 3.32Å; S117-A120 PolarHBondContact O-N 3.47Å; A120-D122 PolarHBondContact O-N 3.25Å |
| 121 | A | 89.6 | Confident | 78.9 | Confident | 36 Ų | 36 | 110 Ų | 110 | 30% | 0.298 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 131.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y80 | Y80-A121 PolarHBondContact N-O 3.15Š|
| 122 | D | 89.5 | Confident | 77.1 | Confident | 67 Ų | 67 | 120.6 Ų | 120.6 | 36% | 0.358 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 139.6 | 172.3 | -59.6 | -47.3 | 0 | 0 | 0 | 111.8 | R78 K79 A120 N124 | R78-D122 CarbonylContact O-C 3.56Å; R78-D122 WeakPolarHBondContact O-CA 3.42Å; K79-D122 WeakPolarHBondContact CD-OD1 3.36Å; K79-D122 WeakPolarHBondContact CE-OD1 3.44Å; K79-D122 IonicContact NZ-OD1 2.7Å; K79-D122 PolarHBondContact NZ-OD1 3.08Å; K79-D122 IonicContact NZ-OD2 3.8Å; A120-D122 PolarHBondContact O-N 3.25Å; D122-N124 VanDerWaalsContact C-N 3.25Å; D122-N124 PolarHBondContact O-N 3.16Å |
| 123 | R | 83.4 | Confident | 75.2 | Confident | 132 Ų | 132 | 127.7 Ų | 127.7 | 50% | 0.498 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -65.2 | -28.5 | 175.1 | -63.7 | -173.4 | -172.5 | -163.9 | -7 | 112.6 | P77 R78 K79 Y80 | P77-R123 WeakPolarHBondContact O-CD 3.34Å; R78-R123 PolarHBondContact O-N 2.93Å; K79-R123 PolarHBondContact O-NE 3.02Å; K79-R123 PolarHBondContact O-NH2 2.85Å; Y80-R123 HydrophobicContact CD2-CG 4.4Å |
| 124 | N | 75.3 | Confident | 73.3 | Confident | 105 Ų | 105 | 128 Ų | 128 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -87.4 | 0.5 | -171.2 | -102.4 | 11.9 | 0 | 0 | 0 | 115.5 | D122 Y126 R127 | D122-N124 VanDerWaalsContact C-N 3.25Å; D122-N124 PolarHBondContact O-N 3.16Å; N124-Y126 PolarHBondContact O-N 3.08Å; N124-Y126 VanDerWaalsContact O-N 3.08Å; N124-R127 PolarHBondContact O-N 3.37Å; N124-R127 VanDerWaalsContact O-N 3.16Å |
| 125 | R | 61.6 | Low | 71.6 | Confident | 166 Ų | 166 | 133.6 Ų | 133.6 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -60.2 | -21.8 | 179.2 | -89.2 | -165.6 | -82.4 | -157.3 | -2.6 | 113.9 | ||
| 126 | Y | 54.3 | Low | 69.8 | Low | 217 Ų | 217 | 132.6 Ų | 132.6 | 85% | 0.851 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -95.5 | -10 | 179.2 | -76.3 | -81.8 | 0 | 0 | 0 | 115.5 | N124 | N124-Y126 PolarHBondContact O-N 3.08Å; N124-Y126 VanDerWaalsContact O-N 3.08Å |
| 127 | R | 58.5 | Low | 68.1 | Low | 212 Ų | 212 | 144.3 Ų | 144.3 | 80% | 0.8 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -3.5 | 176.7 | -70.9 | -171.4 | -176.5 | -178.9 | 2.6 | 113.7 | N124 | N124-R127 PolarHBondContact O-N 3.37Å; N124-R127 VanDerWaalsContact O-N 3.16Å |
| 128 | R | 56.3 | Low | 66.2 | Low | 222 Ų | 222 | 147.8 Ų | 147.8 | 84% | 0.838 | 67% | 0.669 | S | S | * | * | trans | -97.6 | 14.4 | -176 | -134.1 | -178.1 | -153.7 | -111.9 | 4.9 | 114.8 | P130 | R128-P130 WeakPolarHBondContact O-CD 3.18Š| ||
| 129 | Y | 48.7 | Very low | 64.1 | Low | 204 Ų | 204 | 143.2 Ų | 143.2 | 80% | 0.8 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -88.5 | 101.5 | 146.5 | -84.5 | -87.6 | 0 | 0 | 0 | 106.2 | R131 | Y129-R131 VanDerWaalsContact C-N 3.34Å; Y129-R131 PolarHBondContact O-N 3.44Å |
| 130 | P | 59.4 | Low | 62.1 | Low | 102 Ų | 102 | 143.4 Ų | 143.4 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | trans | -51.6 | 116.2 | 152.1 | 23.9 | -29.6 | 0 | 0 | 0 | 104.3 | R128 R132 | R128-P130 WeakPolarHBondContact O-CD 3.18Å; P130-R132 VanDerWaalsContact C-N 3.27Å; P130-R132 PolarHBondContact O-N 3.48Å | ||
| 131 | R | 53.8 | Low | 59.5 | Low | 235 Ų | 235 | 154.2 Ų | 154.2 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | trans | -49.2 | 112 | 158.6 | -70.8 | -171.4 | -178.6 | -173.2 | 1 | 102.7 | Y129 R133 | Y129-R131 VanDerWaalsContact C-N 3.34Å; Y129-R131 PolarHBondContact O-N 3.44Å; R131-R133 PolarHBondContact O-N 2.66Å | ||
| 132 | R | 53.3 | Low | 57.5 | Low | 238 Ų | 238 | 158.4 Ų | 158.4 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | trans | -57.3 | 94 | 163.4 | -80.7 | -148.6 | -167.4 | -97.6 | 8.5 | 103.4 | P130 G134 | P130-R132 VanDerWaalsContact C-N 3.27Å; P130-R132 PolarHBondContact O-N 3.48Å; R132-G134 PolarHBondContact O-N 2.93Å | ||
| 133 | R | 55.5 | Low | 55.3 | Low | 243 Ų | 243 | 164.5 Ų | 164.5 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -51 | 108.8 | 154 | -166.1 | 168.8 | -173.7 | 164.1 | -0.7 | 101.3 | R131 | R131-R133 PolarHBondContact O-N 2.66Š| ||
| 134 | G | 52.6 | Low | 53.1 | Low | 47 Ų | 47 | 164.3 Ų | 164.3 | 49% | 0.485 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -50 | 159.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R132 | R132-G134 PolarHBondContact O-N 2.93Š|
| 135 | P | 59.5 | Low | 51.3 | Low | 120 Ų | 120 | 170.6 Ų | 170.6 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -46.7 | 131.5 | 178.5 | 20.1 | -31 | 0 | 0 | 0 | 108.9 | R137 | P135-R137 PolarHBondContact O-N 2.81Š|
| 136 | P | 54.6 | Low | 50.1 | Low | 121 Ų | 121 | 170.8 Ų | 170.8 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 116.7 | -178.2 | 21.2 | -30.2 | 0 | 0 | 0 | 108.2 | G138 | P136-G138 PolarHBondContact O-N 3.44Š|
| 137 | R | 58.8 | Low | 49 | Very low | 253 Ų | 253 | 166 Ų | 166 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -71.6 | 111.4 | 163.5 | -96.6 | -173.5 | 172.4 | 169.7 | -3.3 | 106.2 | P135 | P135-R137 PolarHBondContact O-N 2.81Š|
| 138 | G | 52.7 | Low | 47.9 | Very low | 73 Ų | 73 | 162.6 Ų | 162.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 96.2 | 123.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P136 | P136-G138 PolarHBondContact O-N 3.44Š| ||
| 139 | G | 47.7 | Very low | 46.8 | Very low | 58 Ų | 58 | 160.1 Ų | 160.1 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | trans | 148.2 | 83.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 140 | D | 47.1 | Very low | 46 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 72.8 | 87.1 | 141.8 | -38.9 | -52.1 | 0 | 0 | 0 | 117.7 | ||||
| 141 | Y | 36.7 | Very low | 44.5 | Very low | 230 Ų | 230 | 158.2 Ų | 158.2 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -75.5 | 126 | 150.7 | -91.2 | -95.6 | 0 | 0 | 0 | 107.9 | E143 | Y141-E143 PolarHBondContact O-N 3.02Š| ||
| 142 | P | 48.5 | Very low | 44 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -70.3 | 113.7 | 166.8 | 27 | -29.5 | 0 | 0 | 0 | 109.1 | N144 | P142-N144 PolarHBondContact O-N 3.26Š| ||
| 143 | E | 42.2 | Very low | 43.1 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -65 | 99.1 | 167 | -177 | 163.5 | -161.5 | 0 | 0 | 108.9 | Y141 | Y141-E143 PolarHBondContact O-N 3.02Š| ||
| 144 | N | 38.1 | Very low | 42 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | -161.5 | 93.7 | 155.7 | -157.3 | 8.5 | 0 | 0 | 0 | 110.8 | P142 | P142-N144 PolarHBondContact O-N 3.26Š| ||
| 145 | Y | 37.6 | Very low | 41 | Very low | 237 Ų | 237 | 140 Ų | 140 | 93% | 0.929 | 81% | 0.806 | S | S | * | * | trans | -153.5 | 103.8 | 140.3 | -103.2 | -78.7 | 0 | 0 | 0 | 108.1 | ||||
| 146 | Q | 36.1 | Very low | 39.8 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | 9 | 123.4 | 151.1 | -138.1 | 103.6 | -31.3 | 0 | 0 | 117.9 | ||||
| 147 | S | 30.8 | Very low | 38.6 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -55.1 | 139.1 | 169.4 | -45 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 148 | D | 34.9 | Very low | 37.2 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -160.2 | 124.2 | 145 | -143.1 | -132.1 | 0 | 0 | 0 | 108.8 | ||||
| 149 | E | 33.5 | Very low | 36.4 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 66.2 | 108 | 159.9 | -37.1 | -64.5 | 97.3 | 0 | 0 | 121.6 | ||
| 150 | G | 32.2 | Very low | 35.6 | Very low | 82 Ų | 82 | 144.8 Ų | 144.8 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 112.9 | 98.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 151 | E | 29.3 | Very low | 34.9 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -33.7 | 175.6 | 159.7 | -83.7 | -109.2 | 129.8 | 0 | 0 | 119.6 | ||||
| 152 | P | 41.9 | Very low | 34.7 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | cis | -135.5 | -175.4 | -43.5 | 37.9 | -19.3 | 0 | 0 | 0 | 113.3 | ||||
| 153 | G | 33.8 | Very low | 33.8 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -62.7 | 155.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | G155 | G153-G155 PolarHBondContact O-N 3.3Š| ||
| 154 | S | 33.8 | Very low | 33.3 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -76.6 | 113 | 166.6 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 155 | G | 32.2 | Very low | 32.9 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -160.4 | 118.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G153 | G153-G155 PolarHBondContact O-N 3.3Š| ||
| 156 | G | 32.6 | Very low | 32.7 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 91.6 | 100.6 | 150 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 157 | R | 30.2 | Very low | 32.4 | Very low | 250 Ų | 250 | 130.8 Ų | 130.8 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | trans | -74.1 | 132.1 | 147.7 | -75.6 | 174.6 | 179.7 | 169.8 | -1 | 108.5 | ||||
| 158 | D | 30.3 | Very low | 33 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 66% | 0.658 | 79% | 0.787 | S | S | * | * | -174 | 143.2 | 115.3 | -146.7 | -5.2 | 0 | 0 | 0 | 112.7 | |||||
| 159 | K | 35 | Very low | 32.8 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | 50.7 | 118.9 | 148.3 | -87.3 | 160.4 | -153.9 | 144.1 | 0 | 124.6 | ||||
| 160 | S | 31.4 | Very low | 32.7 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | 90.2 | 115.8 | 115.5 | 71.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 161 | R | 31.6 | Very low | 32.8 | Very low | 204 Ų | 204 | 132.3 Ų | 132.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | 104.2 | 121.9 | 118.7 | -163.4 | 169.7 | -176.1 | 173.5 | -0.4 | 119.5 | |||||
| 162 | E | 32.7 | Very low | 33.1 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | 82.6 | 122.1 | 147.7 | -84.4 | 162.9 | -168.2 | 0 | 0 | 123.2 | ||||
| 163 | G | 30.3 | Very low | 32.9 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | 80.2 | 131.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 164 | G | 32.1 | Very low | 33.3 | Very low | 67 Ų | 67 | 136.2 Ų | 136.2 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | cis | 161.7 | 140.7 | 5.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 165 | E | 29.2 | Very low | 33.7 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | 76.5 | 99 | 152.3 | -50.1 | 179 | 166.7 | 0 | 0 | 120.2 | ||||
| 166 | N | 32.9 | Very low | 34.1 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | 171.3 | 132.6 | 104.4 | -87.7 | -69.2 | 0 | 0 | 0 | 110.9 | |||||
| 167 | A | 29.1 | Very low | 34.2 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -95 | -178.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 168 | P | 44.8 | Very low | 34.4 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | cis | -148 | -170.8 | 17.4 | 41.3 | -17.9 | 0 | 0 | 0 | 117.3 | ||||
| 169 | E | 29.5 | Very low | 34.7 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | 89.8 | 112.7 | 156.7 | -69.5 | 175 | -176.8 | 0 | 0 | 119.6 | ||||
| 170 | G | 32.2 | Very low | 34.9 | Very low | 81 Ų | 81 | 144.7 Ų | 144.7 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 159.2 | 102.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 171 | D | 34.5 | Very low | 35.2 | Very low | 159 Ų | 159 | 150.7 Ų | 150.7 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -48.7 | 143.3 | -167 | -91.6 | -52.5 | 0 | 0 | 0 | 121.4 | ||||
| 172 | S | 35 | Very low | 35.7 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | 23.3 | 117.3 | 144.9 | 66.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 173 | Q | 37 | Very low | 36.4 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | 18.5 | 115.4 | 126.1 | -61.3 | 176.5 | 17.4 | 0 | 0 | 118.8 | |||||
| 174 | Q | 43 | Very low | 36.9 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | -171.1 | 104.4 | 110.3 | -102.4 | 170.7 | 43.4 | 0 | 0 | 111.7 | |||||
| 175 | Q | 42.2 | Very low | 37.7 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -69.6 | 119 | 162 | -67.7 | 167.2 | 13.7 | 0 | 0 | 109.1 | ||||
| 176 | Q | 40.8 | Very low | 38.1 | Very low | 145 Ų | 145 | 160.6 Ų | 160.6 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | trans | -142.3 | 102.6 | 157.6 | -68.8 | -161.7 | 47.4 | 0 | 0 | 112.9 | ||||
| 177 | R | 33.6 | Very low | 38.3 | Very low | 227 Ų | 227 | 163 Ų | 163 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | 84.2 | 99.8 | 143.8 | -52.7 | -160.6 | -176.5 | -129.7 | 0.2 | 120.6 | ||||
| 178 | R | 36.5 | Very low | 39.1 | Very low | 243 Ų | 243 | 163.8 Ų | 163.8 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 141.7 | 147.1 | -67.8 | 179.3 | 169.5 | -173.2 | -3.9 | 110.6 | ||
| 179 | P | 35.9 | Very low | 39.1 | Very low | 123 Ų | 123 | 163.9 Ų | 163.9 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 122 | 157.6 | -10.1 | 26.8 | 0 | 0 | 0 | 110.2 | ||
| 180 | G | 37.8 | Very low | 39.7 | Very low | 71 Ų | 71 | 163.9 Ų | 163.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 130.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P182 | G180-P182 WeakPolarHBondContact O-CD 3.35Š|
| 181 | Y | 38.1 | Very low | 40.3 | Very low | 233 Ų | 233 | 168.9 Ų | 168.9 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66 | 120.4 | 167.5 | -79.6 | -92.4 | 0 | 0 | 0 | 110.1 | G183 | Y181-G183 PolarHBondContact O-N 3.2Š|
| 182 | P | 42.7 | Very low | 40.7 | Very low | 125 Ų | 125 | 168.4 Ų | 168.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -87.9 | 102.6 | 172.8 | 32.8 | -26.1 | 0 | 0 | 0 | 108.7 | G180 R184 | G180-P182 WeakPolarHBondContact O-CD 3.35Å; P182-R184 PolarHBondContact O-N 2.98Å | ||
| 183 | G | 46.5 | Very low | 40.9 | Very low | 53 Ų | 53 | 175.1 Ų | 175.1 | 55% | 0.546 | 82% | 0.815 | S | S | . | * | trans | -70.1 | 121.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y181 | Y181-G183 PolarHBondContact O-N 3.2Š| ||
| 184 | R | 41.1 | Very low | 40.8 | Very low | 238 Ų | 238 | 178.4 Ų | 178.4 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -154 | 128.3 | 150 | -80.3 | -51.5 | 175.8 | -100.4 | 8 | 112.1 | P182 | P182-R184 PolarHBondContact O-N 2.98Š| ||
| 185 | R | 49.6 | Very low | 40.4 | Very low | 244 Ų | 244 | 181.2 Ų | 181.2 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -32.7 | 134.8 | 154.9 | -62.2 | 172.3 | 175 | -147.2 | -2.4 | 112 | ||||
| 186 | R | 38.3 | Very low | 40.3 | Very low | 240 Ų | 240 | 183 Ų | 183 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -126 | 106.9 | 164.9 | -150.5 | 174.3 | -121.3 | -135.1 | 1.2 | 109.3 | ||||
| 187 | Y | 37 | Very low | 40.2 | Very low | 214 Ų | 214 | 179.7 Ų | 179.7 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146.8 | 160.5 | -113.7 | -102.4 | 0 | 0 | 0 | 109.2 | P189 | Y187-P189 WeakPolarHBondContact O-CD 3.37Š|
| 188 | P | 45.7 | Very low | 40.4 | Very low | 108 Ų | 108 | 180.2 Ų | 180.2 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 122.7 | 173.7 | 29.2 | -29.6 | 0 | 0 | 0 | 110 | ||
| 189 | P | 44.9 | Very low | 40.5 | Very low | 109 Ų | 109 | 179.6 Ų | 179.6 | 71% | 0.708 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 128.9 | 166.4 | 32.3 | -29.3 | 0 | 0 | 0 | 109 | Y187 | Y187-P189 WeakPolarHBondContact O-CD 3.37Š|
| 190 | Y | 40.5 | Very low | 40.7 | Very low | 194 Ų | 194 | 179.4 Ų | 179.4 | 76% | 0.761 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 145.8 | 161 | 40.1 | -98.8 | 0 | 0 | 0 | 111.2 | ||
| 191 | F | 45.4 | Very low | 41.1 | Very low | 186 Ų | 186 | 181.5 Ų | 181.5 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | trans | 66.1 | 101.4 | 164.2 | -52.6 | -71.8 | 0 | 0 | 0 | 119.4 | ||||
| 192 | V | 44.2 | Very low | 41 | Very low | 149 Ų | 149 | 181.3 Ų | 181.3 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | trans | -126.3 | 126.1 | 136.7 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 193 | R | 37.7 | Very low | 40.8 | Very low | 237 Ų | 237 | 181.5 Ų | 181.5 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | trans | -62.1 | 127.7 | -178.7 | -64.2 | 163.8 | 174.1 | -102.6 | 0.8 | 110.6 | ||||
| 194 | R | 35.4 | Very low | 40.4 | Very low | 251 Ų | 251 | 186.8 Ų | 186.8 | 95% | 0.947 | 84% | 0.842 | S | S | * | * | trans | -85.8 | 114.8 | 167.9 | -167.9 | 171.8 | -101.2 | -119.1 | 0.4 | 108.6 | ||||
| 195 | R | 34.9 | Very low | 40.4 | Very low | 224 Ų | 224 | 180 Ų | 180 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | -73.2 | 144.2 | 171.9 | -175.5 | 179.6 | -86.5 | -110.2 | 2.2 | 109.3 | ||||
| 196 | Y | 39.3 | Very low | 40.2 | Very low | 228 Ų | 228 | 174.1 Ų | 174.1 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | trans | -32.8 | 146 | -175.8 | -59.8 | -94 | 0 | 0 | 0 | 119.7 | ||||
| 197 | G | 39.6 | Very low | 40 | Very low | 76 Ų | 76 | 174.6 Ų | 174.6 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | 120.7 | 96.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 198 | R | 37.4 | Very low | 39.9 | Very low | 239 Ų | 239 | 167.9 Ų | 167.9 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | 163.3 | 118.9 | 128.5 | -102.1 | -174 | 170.7 | -93.5 | 2.7 | 111.5 | |||||
| 199 | R | 37.9 | Very low | 39.3 | Very low | 229 Ų | 229 | 171.3 Ų | 171.3 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 145.6 | 162.3 | -83.7 | 167.7 | 138.6 | -177.8 | -7.3 | 109.9 | ||
| 200 | P | 40.5 | Very low | 39.2 | Very low | 120 Ų | 120 | 173.7 Ų | 173.7 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -76 | 144.1 | 166.4 | -7.1 | 24.1 | 0 | 0 | 0 | 111.2 | ||
| 201 | P | 47.3 | Very low | 39 | Very low | 115 Ų | 115 | 171.3 Ų | 171.3 | 75% | 0.747 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 138.8 | 176.9 | 32 | -31.8 | 0 | 0 | 0 | 111.5 | ||
| 202 | Y | 35.5 | Very low | 38.8 | Very low | 229 Ų | 229 | 171.8 Ų | 171.8 | 90% | 0.898 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 127.6 | 165.7 | -118.4 | -99.8 | 0 | 0 | 0 | 108.6 | ||
| 203 | T | 38.8 | Very low | 38.3 | Very low | 129 Ų | 129 | 168.4 Ų | 168.4 | 79% | 0.791 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 125.1 | 172.5 | 42 | 0 | 0 | 0 | 0 | 110.2 | ||
| 204 | N | 37.8 | Very low | 38 | Very low | 164 Ų | 164 | 160.4 Ų | 160.4 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 147.4 | 170.2 | -76.1 | -41.6 | 0 | 0 | 0 | 111.5 | ||
| 205 | A | 39.8 | Very low | 37.9 | Very low | 94 Ų | 94 | 158.2 Ų | 158.2 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | trans | -124 | 160.4 | 162 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 206 | P | 45.6 | Very low | 37.8 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | trans | -102.7 | 154.1 | -132.8 | 37.3 | -35.9 | 0 | 0 | 0 | 117.3 | ||||
| 207 | R | 35.2 | Very low | 37.6 | Very low | 250 Ų | 250 | 148 Ų | 148 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | trans | 23.5 | 117.6 | 141.7 | -164.3 | 180 | -173.9 | 155 | 1.9 | 119.9 | ||||
| 208 | G | 34 | Very low | 37.6 | Very low | 72 Ų | 72 | 152.5 Ų | 152.5 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | 127.3 | 105.3 | 124.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 209 | E | 33.1 | Very low | 37.7 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | -168.6 | 130.9 | 124.8 | -142.6 | 164.6 | 177.8 | 0 | 0 | 110.1 | |||||
| 210 | M | 42.1 | Very low | 37.6 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 79% | 0.788 | 83% | 0.829 | S | S | * | * | trans | -60.7 | 140.4 | 173.9 | 44 | -122 | 151.3 | 0 | 0 | 113.1 | ||||
| 211 | T | 38.3 | Very low | 37.3 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | -173 | 116.7 | 132.5 | -68.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 212 | E | 39.4 | Very low | 36.6 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -87.8 | 136.4 | 169.5 | 178.3 | 177.7 | 179.3 | 0 | 0 | 108.5 | ||||
| 213 | G | 34.2 | Very low | 37.4 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | 172.4 | 122.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 214 | G | 32 | Very low | 37.2 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | 102.3 | 91.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 215 | E | 33 | Very low | 37.3 | Very low | 205 Ų | 205 | 136.3 Ų | 136.3 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | 55.1 | 121.2 | 79.9 | -62 | -173.7 | 148.9 | 0 | 0 | 113.6 | |||||
| 216 | G | 32.8 | Very low | 37 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | 149.8 | 90.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 217 | D | 36 | Very low | 36.7 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | 92.6 | 134.4 | 122.9 | -151.2 | -131 | 0 | 0 | 0 | 121.4 | |||||
| 218 | E | 39 | Very low | 37.1 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | -90.3 | 143.6 | -168.5 | -52.5 | 177.9 | 151.8 | 0 | 0 | 110.5 | ||||
| 219 | G | 38.8 | Very low | 37.5 | Very low | 79 Ų | 79 | 136 Ų | 136 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -160.6 | 87.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 220 | Q | 36.2 | Very low | 38.3 | Very low | 195 Ų | 195 | 133.7 Ų | 133.7 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -62.6 | 148.4 | 174.9 | -62.8 | 166.8 | 40.2 | 0 | 0 | 112.4 | ||||
| 221 | G | 33.4 | Very low | 38.2 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 172.8 | 107.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 222 | G | 32.9 | Very low | 38.2 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -71 | -168 | -167.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 223 | P | 52.3 | Low | 38.1 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -99.5 | 141.2 | -155.6 | 36.5 | -29.9 | 0 | 0 | 0 | 113.1 | ||||
| 224 | D | 35.5 | Very low | 38.2 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | trans | -155.4 | 153 | 149.5 | -153.1 | 14.2 | 0 | 0 | 0 | 113.7 | ||||
| 225 | Q | 39.9 | Very low | 38.6 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -67.7 | 154.6 | -164.9 | -60.4 | 153 | 64.2 | 0 | 0 | 113.9 | ||||
| 226 | G | 32.6 | Very low | 38.9 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 162.6 | 88.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 227 | N | 39.5 | Very low | 39.3 | Very low | 153 Ų | 153 | 149.7 Ų | 149.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 46.6 | 101.2 | 140.1 | -93.2 | -30.6 | 0 | 0 | 0 | 119.9 | ||||
| 228 | K | 43.5 | Very low | 39.3 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -139 | 99 | 141.9 | -68.8 | -174.7 | -177 | 172.9 | 0 | 110.5 | V230 | K228-V230 PolarHBondContact O-N 2.94Š| ||
| 229 | P | 43.1 | Very low | 39.5 | Very low | 106 Ų | 106 | 152.8 Ų | 152.8 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | trans | -76.9 | 121.8 | 167.6 | 29.7 | -29.3 | 0 | 0 | 0 | 109.7 | R231 | P229-R231 PolarHBondContact O-N 3.18Š| ||
| 230 | V | 49.6 | Very low | 39.9 | Very low | 130 Ų | 130 | 155.2 Ų | 155.2 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | trans | -41.4 | 119.4 | 160.5 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | K228 | K228-V230 PolarHBondContact O-N 2.94Š| ||
| 231 | R | 39.2 | Very low | 40 | Very low | 237 Ų | 237 | 151.3 Ų | 151.3 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | -113.4 | 107.9 | 162.6 | -80.8 | -164.4 | 177.9 | -115 | 1.4 | 111.1 | P229 | P229-R231 PolarHBondContact O-N 3.18Š| ||
| 232 | Q | 40.2 | Very low | 40.9 | Very low | 146 Ų | 146 | 159.5 Ų | 159.5 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | trans | -49.9 | 135.3 | 169.7 | -69.9 | 156.3 | -10.4 | 0 | 0 | 112.1 | Y234 | Q232-Y234 HydrophobicContact CB-CE2 4.43Å; Q232-Y234 PolarHBondContact O-N 3.2Å | ||
| 233 | N | 36.9 | Very low | 41.6 | Very low | 163 Ų | 163 | 158.9 Ų | 158.9 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -52.5 | 113.4 | 160 | -102.2 | 14.3 | 0 | 0 | 0 | 110.5 | ||||
| 234 | Y | 34.8 | Very low | 41.9 | Very low | 196 Ų | 196 | 158.5 Ų | 158.5 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -106.2 | 108.3 | 155.5 | -85.5 | -86.8 | 0 | 0 | 0 | 109.2 | Q232 R236 | Q232-Y234 HydrophobicContact CB-CE2 4.43Å; Q232-Y234 PolarHBondContact O-N 3.2Å; Y234-R236 PolarHBondContact O-N 3.2Å | ||
| 235 | Y | 42.2 | Very low | 42.3 | Very low | 234 Ų | 234 | 157.9 Ų | 157.9 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | trans | -59.4 | 101.7 | 159.7 | -134.2 | -98.6 | 0 | 0 | 0 | 107.5 | ||||
| 236 | R | 37.8 | Very low | 42.8 | Very low | 213 Ų | 213 | 160.5 Ų | 160.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -120.2 | 103.4 | 171.9 | -147.8 | 177 | -149.8 | -135 | 4.6 | 107.9 | Y234 F238 | Y234-R236 PolarHBondContact O-N 3.2Å; R236-F238 PolarHBondContact O-N 3.37Å | ||
| 237 | G | 42.3 | Very low | 43.5 | Very low | 74 Ų | 74 | 163 Ų | 163 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | -57.3 | 132 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 238 | F | 34.7 | Very low | 43.7 | Very low | 175 Ų | 175 | 166.9 Ų | 166.9 | 77% | 0.768 | 82% | 0.815 | S | S | * | * | trans | -128.7 | 116.1 | 176 | -143.8 | -98.4 | 0 | 0 | 0 | 109.9 | R236 | R236-F238 PolarHBondContact O-N 3.37Š| ||
| 239 | R | 44.4 | Very low | 43.6 | Very low | 223 Ų | 223 | 163.3 Ų | 163.3 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -67 | 139.8 | 167.6 | -66.7 | 174.7 | 176.5 | -161.6 | -1.5 | 108.6 | S241 | R239-S241 PolarHBondContact O-N 3.4Å; R239-S241 VanDerWaalsContact O-N 3.09Å | ||
| 240 | P | 45.9 | Very low | 43.6 | Very low | 131 Ų | 131 | 164.2 Ų | 164.2 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -77.7 | 99.7 | 169.8 | 29.4 | -28.7 | 0 | 0 | 0 | 109.4 | R242 | P240-R242 PolarHBondContact O-N 3.21Š| ||
| 241 | S | 39.9 | Very low | 43.1 | Very low | 112 Ų | 112 | 169.8 Ų | 169.8 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -68.7 | 122 | 159 | -107 | 0 | 0 | 0 | 0 | 108.6 | R239 G243 | R239-S241 PolarHBondContact O-N 3.4Å; R239-S241 VanDerWaalsContact O-N 3.09Å; S241-G243 PolarHBondContact O-N 3.49Å | ||
| 242 | R | 52 | Low | 42.9 | Very low | 251 Ų | 251 | 165 Ų | 165 | 95% | 0.947 | 82% | 0.815 | S | S | * | * | trans | -62.3 | 109.1 | 166.1 | -72.2 | 173.5 | 175.1 | 163.6 | -2.9 | 108.6 | P240 | P240-R242 PolarHBondContact O-N 3.21Š| ||
| 243 | G | 47.6 | Very low | 42.8 | Very low | 63 Ų | 63 | 163 Ų | 163 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 155.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S241 | S241-G243 PolarHBondContact O-N 3.49Š|
| 244 | P | 57.8 | Low | 42.7 | Very low | 123 Ų | 123 | 164.3 Ų | 164.3 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 157.4 | -179.3 | 30.9 | -33.6 | 0 | 0 | 0 | 111.6 | ||
| 245 | P | 45 | Very low | 43 | Very low | 130 Ų | 130 | 163.8 Ų | 163.8 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 142.3 | -172.8 | 29.6 | -33.5 | 0 | 0 | 0 | 112.1 | ||
| 246 | R | 50.5 | Low | 42.9 | Very low | 236 Ų | 236 | 160.6 Ų | 160.6 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 144.4 | 172.9 | -69.8 | -179.4 | 165.9 | -176.2 | -5.9 | 111 | ||
| 247 | P | 46.9 | Very low | 43.3 | Very low | 125 Ų | 125 | 159.6 Ų | 159.6 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 152.6 | 172.7 | 30.9 | -31.7 | 0 | 0 | 0 | 111.5 | ||
| 248 | R | 43 | Very low | 43 | Very low | 233 Ų | 233 | 165 Ų | 165 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 149 | 179.4 | -66.3 | 179 | 175.8 | 174.2 | -1.9 | 110.8 | ||
| 249 | P | 41 | Very low | 43 | Very low | 129 Ų | 129 | 164.5 Ų | 164.5 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 142.5 | 175.9 | 29.6 | -32.2 | 0 | 0 | 0 | 111.6 | ||
| 250 | V | 43.5 | Very low | 42.8 | Very low | 124 Ų | 124 | 163 Ų | 163 | 75% | 0.752 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 137.8 | 174.4 | -179 | 0 | 0 | 0 | 0 | 108.7 | ||
| 251 | R | 39.4 | Very low | 42.1 | Very low | 247 Ų | 247 | 160.8 Ų | 160.8 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | trans | -103.6 | 101.3 | 175.3 | -160.5 | -178.5 | -162.7 | -175.6 | 2.3 | 106.6 | ||||
| 252 | D | 35.7 | Very low | 41.7 | Very low | 137 Ų | 137 | 159 Ų | 159 | 73% | 0.733 | 84% | 0.836 | S | S | * | * | trans | -77.5 | 128.2 | 167 | -69.7 | -38.2 | 0 | 0 | 0 | 108.3 | ||||
| 253 | S | 36.8 | Very low | 40.8 | Very low | 105 Ų | 105 | 156.8 Ų | 156.8 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | trans | 177.3 | 130.1 | 132.3 | -67 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 254 | E | 36.1 | Very low | 40.1 | Very low | 190 Ų | 190 | 157.7 Ų | 157.7 | 89% | 0.888 | 85% | 0.846 | S | S | * | * | trans | 101.5 | 110.6 | 152.4 | -68.9 | 155.6 | 173.5 | 0 | 0 | 118 | ||||
| 255 | E | 40.8 | Very low | 38.9 | Very low | 184 Ų | 184 | 155.2 Ų | 155.2 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | trans | -56.8 | 135.3 | 172.5 | -60.2 | 168 | 135 | 0 | 0 | 111 | ||||
| 256 | D | 39.9 | Very low | 38.4 | Very low | 167 Ų | 167 | 157.9 Ų | 157.9 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | -158.2 | 140.3 | 126.9 | -97 | -34.4 | 0 | 0 | 0 | 110 | |||||
| 257 | K | 45.3 | Very low | 37.9 | Very low | 192 Ų | 192 | 154 Ų | 154 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -76.4 | 171.1 | -169.5 | -69.9 | 172.1 | 176.9 | 166.6 | 0 | 112.1 | ||||
| 258 | E | 36.6 | Very low | 37.8 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | trans | 83.6 | 113.3 | 168.3 | -51.9 | 179.3 | 167 | 0 | 0 | 113.2 | ||||
| 259 | N | 34.8 | Very low | 37.6 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 87% | 0.872 | 84% | 0.842 | S | S | * | * | cis | -164.2 | 145.1 | 49.8 | -156.1 | -8.9 | 0 | 0 | 0 | 110.1 | ||||
| 260 | Q | 39.6 | Very low | 37.7 | Very low | 192 Ų | 192 | 154.2 Ų | 154.2 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | trans | -87 | 156.2 | 177.8 | -71.6 | 179.1 | 8 | 0 | 0 | 112.2 | ||||
| 261 | G | 31.4 | Very low | 37.6 | Very low | 84 Ų | 84 | 159.9 Ų | 159.9 | 87% | 0.866 | 85% | 0.849 | S | S | * | * | trans | 117 | 132.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 262 | G | 31.7 | Very low | 37.8 | Very low | 74 Ų | 74 | 157 Ų | 157 | 76% | 0.763 | 85% | 0.847 | S | S | * | * | cis | 175.7 | 145 | 5.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 263 | E | 33.6 | Very low | 38.1 | Very low | 206 Ų | 206 | 161.8 Ų | 161.8 | 96% | 0.963 | 85% | 0.854 | S | S | * | * | trans | 0.4 | 141.5 | 164 | -60.6 | 174.5 | 129.4 | 0 | 0 | 121.7 | ||||
| 264 | G | 32.8 | Very low | 38.1 | Very low | 81 Ų | 81 | 167.5 Ų | 167.5 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | trans | 137 | 94.2 | 135.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 265 | G | 32.5 | Very low | 38 | Very low | 72 Ų | 72 | 169.2 Ų | 169.2 | 74% | 0.742 | 86% | 0.86 | S | S | * | * | 89.8 | 121 | 124.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 266 | Q | 35.7 | Very low | 38 | Very low | 185 Ų | 185 | 171.4 Ų | 171.4 | 86% | 0.864 | 86% | 0.86 | S | S | * | * | trans | 91.3 | 82.1 | 134.6 | -53 | -176.9 | -0.5 | 0 | 0 | 120.6 | ||||
| 267 | N | 39.8 | Very low | 37.8 | Very low | 155 Ų | 155 | 173.1 Ų | 173.1 | 83% | 0.829 | 85% | 0.854 | S | S | * | * | 34.5 | 96.6 | 112.2 | -158.1 | 15.9 | 0 | 0 | 0 | 118.9 | |||||
| 268 | Q | 43.3 | Very low | 37.3 | Very low | 191 Ų | 191 | 171 Ų | 171 | 89% | 0.893 | 85% | 0.852 | S | S | * | * | trans | -145 | 135.3 | 151.1 | -66.3 | -168.3 | 37.1 | 0 | 0 | 112.3 | ||||
| 269 | Q | 40 | Very low | 37.2 | Very low | 174 Ų | 174 | 170.4 Ų | 170.4 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 156.4 | -173.8 | -64.4 | 177.7 | -6.3 | 0 | 0 | 114.4 | R271 | Q269-R271 PolarHBondContact O-N 3.48Š|
| 270 | P | 42.3 | Very low | 37.7 | Very low | 127 Ų | 127 | 168.9 Ų | 168.9 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 120.3 | -174.5 | 30.3 | -33.1 | 0 | 0 | 0 | 112.7 | Q272 | P270-Q272 PolarHBondContact O-N 3.09Š|
| 271 | R | 41.8 | Very low | 37.7 | Very low | 243 Ų | 243 | 171 Ų | 171 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -71 | 119.5 | 169.9 | -71.2 | -167.9 | 173.4 | -166.1 | -0.6 | 110.5 | Q269 R273 | Q269-R271 PolarHBondContact O-N 3.48Å; R271-R273 PolarHBondContact O-N 3.05Å |
| 272 | Q | 43.9 | Very low | 38.2 | Very low | 187 Ų | 187 | 178.4 Ų | 178.4 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -61.3 | 113.8 | 175.7 | -62.1 | -168.5 | 7.4 | 0 | 0 | 111.5 | P270 R274 | P270-Q272 PolarHBondContact O-N 3.09Å; Q272-R274 PolarHBondContact O-N 3.42Å | ||
| 273 | R | 41.1 | Very low | 38.6 | Very low | 237 Ų | 237 | 185.1 Ų | 185.1 | 89% | 0.894 | 84% | 0.84 | S | S | * | * | trans | -73.1 | 103.8 | 169.9 | -92.4 | -178.5 | 173.1 | -168.6 | -1.5 | 109.9 | R271 Y275 | R271-R273 PolarHBondContact O-N 3.05Å; R273-Y275 PolarHBondContact O-N 3.21Å | ||
| 274 | R | 37.8 | Very low | 38.8 | Very low | 225 Ų | 225 | 184.5 Ų | 184.5 | 85% | 0.849 | 83% | 0.829 | S | S | * | * | trans | -65.8 | 111.6 | 164.6 | -69.6 | -174.6 | -179.6 | -158.7 | 1.7 | 109.2 | Q272 R276 | Q272-R274 PolarHBondContact O-N 3.42Å; R274-R276 PolarHBondContact O-N 3.29Å | ||
| 275 | Y | 33.8 | Very low | 39 | Very low | 226 Ų | 226 | 191.9 Ų | 191.9 | 89% | 0.886 | 83% | 0.831 | S | S | * | * | trans | -66.8 | 96.8 | 165 | -85.8 | -91.8 | 0 | 0 | 0 | 109.5 | R273 R277 | R273-Y275 PolarHBondContact O-N 3.21Å; Y275-R277 PolarHBondContact O-N 3.38Å | ||
| 276 | R | 41.2 | Very low | 39.3 | Very low | 230 Ų | 230 | 196.6 Ų | 196.6 | 87% | 0.868 | 83% | 0.834 | S | S | * | * | trans | -83.9 | 100.5 | 160.6 | -79.3 | -170.1 | 171.7 | -165.7 | -0.7 | 108.1 | R274 N278 | R274-R276 PolarHBondContact O-N 3.29Å; R276-N278 PolarHBondContact O-N 3.41Å | ||
| 277 | R | 36 | Very low | 39.4 | Very low | 203 Ų | 203 | 196.6 Ų | 196.6 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | trans | -84.3 | 104.7 | 171.9 | -164.5 | 162.5 | -141.5 | 177.7 | 1 | 108.6 | Y275 Y279 | Y275-R277 PolarHBondContact O-N 3.38Å; R277-Y279 HydrophobicContact CG-CD2 3.78Å; R277-Y279 HydrophobicContact CG-CE2 4Å | ||
| 278 | N | 33 | Very low | 39.4 | Very low | 148 Ų | 148 | 196.2 Ų | 196.2 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | trans | -94.6 | 103.7 | 172.9 | -151.7 | 22.9 | 0 | 0 | 0 | 108.3 | R276 | R276-N278 PolarHBondContact O-N 3.41Š| ||
| 279 | Y | 36.2 | Very low | 39 | Very low | 175 Ų | 175 | 190.9 Ų | 190.9 | 69% | 0.686 | 83% | 0.834 | S | S | * | * | trans | -113.1 | 102.7 | 165.8 | -90.5 | -67.5 | 0 | 0 | 0 | 108.1 | R277 | R277-Y279 HydrophobicContact CG-CD2 3.78Å; R277-Y279 HydrophobicContact CG-CE2 4Å | ||
| 280 | N | 45.3 | Very low | 38.7 | Very low | 131 Ų | 131 | 186.3 Ų | 186.3 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | trans | -139.5 | 90.2 | 161.7 | -89.9 | -26.6 | 0 | 0 | 0 | 108.8 | ||||
| 281 | Y | 37.8 | Very low | 38.8 | Very low | 236 Ų | 236 | 190.2 Ų | 190.2 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | trans | -123.9 | 85.9 | 150.4 | -80.3 | -71.3 | 0 | 0 | 0 | 108.4 | ||||
| 282 | R | 43.1 | Very low | 38.8 | Very low | 241 Ų | 241 | 184.6 Ų | 184.6 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | trans | -108.1 | 90 | 163.4 | -153.5 | -176.5 | -138.3 | -173.7 | 5.7 | 107.1 | ||||
| 283 | R | 38.9 | Very low | 38.4 | Very low | 215 Ų | 215 | 179 Ų | 179 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | trans | -176.6 | 136.8 | 163.6 | -106.8 | 178.5 | -162 | -142.8 | 2.8 | 105.5 | ||||
| 284 | R | 39.7 | Very low | 38.3 | Very low | 193 Ų | 193 | 177 Ų | 177 | 73% | 0.728 | 83% | 0.826 | S | S | * | * | cis | -166.2 | 122.4 | 21.4 | 166.1 | 179.7 | -88.8 | -139.4 | -5.2 | 107.1 | ||||
| 285 | R | 35.3 | Very low | 38.2 | Very low | 235 Ų | 235 | 175.1 Ų | 175.1 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -79.1 | 116.4 | 166.5 | -174.3 | 177.8 | -170.4 | -120.3 | 2.5 | 106.8 | Q287 | R285-Q287 PolarHBondContact O-N 3.32Š| ||
| 286 | Q | 39.4 | Very low | 38.3 | Very low | 172 Ų | 172 | 172.4 Ų | 172.4 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -73.1 | 124.1 | 170.7 | -65.1 | -159.3 | 35 | 0 | 0 | 108.6 | ||||
| 287 | Q | 38 | Very low | 38.4 | Very low | 184 Ų | 184 | 170.3 Ų | 170.3 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -77.4 | 114.7 | 170.8 | -68 | 172.1 | -5.8 | 0 | 0 | 107.1 | R285 | R285-Q287 PolarHBondContact O-N 3.32Š| ||
| 288 | T | 39.6 | Very low | 38.4 | Very low | 148 Ų | 148 | 169.1 Ų | 169.1 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | trans | -88.3 | 108.2 | 161.5 | 45.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 289 | G | 35.4 | Very low | 38.6 | Very low | 79 Ų | 79 | 167.4 Ų | 167.4 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | -161.3 | 103 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 290 | G | 33.5 | Very low | 38.8 | Very low | 78 Ų | 78 | 168.4 Ų | 168.4 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -179.7 | 99.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 291 | K | 43.8 | Very low | 38.3 | Very low | 208 Ų | 208 | 169 Ų | 169 | 90% | 0.904 | 85% | 0.851 | S | S | * | * | trans | -70.1 | 161.5 | 165.2 | -69.8 | 177.7 | 173.5 | -179.2 | 0 | 110.2 | ||||
| 292 | P | 43.1 | Very low | 38.1 | Very low | 126 Ų | 126 | 161.7 Ų | 161.7 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | -133.4 | 149 | 125.9 | 25.7 | -8.4 | 0 | 0 | 0 | 113.9 | |||||
| 293 | G | 34.5 | Very low | 37.6 | Very low | 68 Ų | 68 | 154.1 Ų | 154.1 | 70% | 0.701 | 84% | 0.844 | S | S | * | * | trans | -70.1 | 146.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 294 | Q | 39.1 | Very low | 37.6 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | 59.5 | 95.4 | 88.8 | -79 | -167.6 | -14.9 | 0 | 0 | 114.6 | |||||
| 295 | E | 35.8 | Very low | 38.5 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | trans | -167.5 | 116.8 | 140.1 | -110.2 | 172.8 | -170.9 | 0 | 0 | 109.5 | ||||
| 296 | N | 35.7 | Very low | 38.4 | Very low | 169 Ų | 169 | 142 Ų | 142 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | trans | 179.5 | 126.6 | 132.1 | -90.4 | -26.9 | 0 | 0 | 0 | 111.3 | ||||
| 297 | K | 43.1 | Very low | 38.6 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -87.8 | 142.3 | 176.6 | -81 | -179 | 173.3 | -179.4 | 0 | 111.3 | ||||
| 298 | E | 36.7 | Very low | 38.7 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 84% | 0.837 | S | S | * | * | trans | 39.8 | 115.9 | 136.3 | -61.3 | 173.4 | 147.8 | 0 | 0 | 120.5 | ||||
| 299 | A | 37.1 | Very low | 38.8 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | -147.8 | 137.9 | 128.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 300 | K | 40 | Very low | 39.1 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 84% | 0.837 | S | S | * | * | trans | -103 | 159.3 | -169.1 | 178.5 | 178.3 | -177.9 | 177.8 | 0 | 109.4 | ||||
| 301 | T | 35.5 | Very low | 39.5 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 89% | 0.89 | 84% | 0.839 | S | S | * | * | trans | 112.6 | 124.2 | 168.3 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 302 | G | 33.3 | Very low | 39.8 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | cis | 154.7 | 144.5 | 7.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 303 | G | 31.4 | Very low | 40.6 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | 102.8 | 93.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 304 | D | 39.3 | Very low | 40.7 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 88% | 0.877 | 84% | 0.838 | S | S | * | * | trans | -76.2 | 172.8 | 136.8 | -89.5 | -49 | 0 | 0 | 0 | 109 | ||||
| 305 | P | 58.4 | Low | 41.2 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 84% | 0.837 | S | S | * | * | cis | -136.7 | 173.7 | 5.5 | 32.6 | -11.8 | 0 | 0 | 0 | 114.5 | ||||
| 306 | S | 34.3 | Very low | 41.7 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | 163.8 | 114 | 126.1 | -72 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 307 | A | 43.2 | Very low | 42.4 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | 22.9 | 149.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 308 | E | 39 | Very low | 42.8 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 81% | 0.808 | 84% | 0.836 | S | S | * | * | trans | 77.8 | 135.1 | 159.2 | -44 | -164.4 | 148.4 | 0 | 0 | 116.6 | ||||
| 309 | K | 42.6 | Very low | 43.5 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | cis | -151.1 | 142.5 | 37.1 | -81.6 | 177.6 | 174.5 | 174.7 | 0 | 113.4 | ||||
| 310 | T | 41.1 | Very low | 44.4 | Very low | 144 Ų | 144 | 130 Ų | 130 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -77.9 | 148.8 | 166.3 | 39 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 311 | S | 42.4 | Very low | 44.7 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | trans | -78.2 | 146.2 | 178.3 | 18.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 312 | A | 49.3 | Very low | 45.2 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 81% | 0.81 | 84% | 0.844 | S | S | * | * | trans | -157.6 | 137.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 313 | P | 60.4 | Low | 45.8 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 85% | 0.845 | S | S | * | * | trans | -103.1 | 136.4 | 174.1 | 35.5 | -27.2 | 0 | 0 | 0 | 113.6 | ||||
| 314 | E | 37.7 | Very low | 46.6 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 78% | 0.78 | 84% | 0.844 | S | S | * | * | 30.6 | 114.5 | 129.6 | -149.8 | 170.2 | 169.3 | 0 | 0 | 119.9 | |||||
| 315 | A | 48.4 | Very low | 47.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 90% | 0.901 | 84% | 0.842 | S | S | * | * | trans | -136.8 | 128.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 316 | Q | 47.3 | Very low | 46.3 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 78% | 0.776 | 85% | 0.85 | S | S | * | * | trans | -117.7 | 129.1 | -170.7 | -149.6 | 170.6 | 47.7 | 0 | 0 | 108.2 | ||||
| 317 | Q | 51.1 | Low | 47.1 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 85% | 0.853 | S | S | * | * | trans | -176.8 | 108.8 | 161.1 | -98.4 | 163.3 | 37.9 | 0 | 0 | 103.5 | ||||
| 318 | G | 50.6 | Low | 47.4 | Very low | 83 Ų | 83 | 143.8 Ų | 143.8 | 86% | 0.856 | 86% | 0.861 | S | S | * | * | 67.7 | 117.6 | 61.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 319 | G | 51.8 | Low | 48.1 | Very low | 72 Ų | 72 | 141.5 Ų | 141.5 | 74% | 0.742 | 87% | 0.865 | S | S | * | * | cis | 176 | 171 | 3.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 320 | A | 56.3 | Low | 48.5 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 84% | 0.843 | 87% | 0.868 | S | S | * | * | trans | 33.9 | 131.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 321 | E | 46.1 | Very low | 49.2 | Very low | 268 Ų | 268 | 137 Ų | 137 | 100% | 1.252 | 87% | 0.867 | S | S | * | * | cis | -162.9 | 0 | 30.3 | -111.8 | 173.6 | 148.3 | 0 | 0 | 107.5 |
Retrieved 321 of 321 residues in 265 ms
(Link to these results)