| 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 | 37.2 | Very low | 46.2 | Very low | 242 Ų | 242 | 147.6 Ų | 147.6 | 100% | 1.192 | 85% | 0.847 | S | S | * | * | 0 | 88.7 | 0 | -66 | 161.1 | 169.6 | 0 | 0 | 105.9 | |||||
| 2 | A | 37.7 | Very low | 46.4 | Very low | 106 Ų | 106 | 148 Ų | 148 | 88% | 0.876 | 84% | 0.843 | S | S | * | * | 63.3 | 74.5 | 71.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 3 | G | 39.5 | Very low | 46.7 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | trans | 49.5 | -174.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 4 | P | 55 | Low | 47 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | cis | -140.1 | 175.9 | -25.4 | 37.5 | -19.1 | 0 | 0 | 0 | 114.1 | ||||
| 5 | G | 41.3 | Very low | 46.8 | Very low | 69 Ų | 69 | 141.8 Ų | 141.8 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | trans | 110.5 | 143.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 6 | W | 48.3 | Very low | 46.9 | Very low | 249 Ų | 249 | 139.1 Ų | 139.1 | 94% | 0.943 | 83% | 0.825 | S | S | * | * | cis | -151.5 | 150 | 9.6 | -99 | 30.1 | 0 | 0 | 0 | 109.7 | ||||
| 7 | T | 48.8 | Very low | 46.9 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 69% | 0.693 | 83% | 0.826 | S | S | * | * | trans | -5.5 | 136.5 | 158.8 | 51.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 8 | M | 49.8 | Very low | 46.6 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -144.9 | 116.9 | 130.2 | -120.4 | -58.9 | -158.6 | 0 | 0 | 110.8 | ||||
| 9 | L | 53.5 | Low | 46.3 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | trans | -69.7 | 132.3 | 170.5 | -108.1 | 82.5 | 0 | 0 | 0 | 109.7 | ||||
| 10 | L | 48.3 | Very low | 45.9 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -135.7 | 93.3 | 156.6 | -93.1 | 158.7 | 0 | 0 | 0 | 109.7 | ||||
| 11 | L | 49.3 | Very low | 45.6 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | 4 | 123.3 | 150.2 | -64.6 | 150.9 | 0 | 0 | 0 | 118.3 | ||||
| 12 | L | 47.6 | Very low | 45.6 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 157.3 | 156.6 | -76.9 | 97.2 | 0 | 0 | 0 | 111.1 | ||||
| 13 | P | 50.3 | Low | 45.8 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | -121.2 | 137 | 123.6 | 29.2 | -18.3 | 0 | 0 | 0 | 111.8 | G15 | P13-G15 PolarHBondContact O-N 3.43Å; P13-G15 VanDerWaalsContact O-N 3.15Å | |||
| 14 | L | 51.6 | Low | 45.9 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -49.8 | 111.8 | 163 | -84.2 | 65.7 | 0 | 0 | 0 | 109.7 | ||||
| 15 | G | 43.4 | Very low | 45.3 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -107.9 | 68.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | P13 L17 | P13-G15 PolarHBondContact O-N 3.43Å; P13-G15 VanDerWaalsContact O-N 3.15Å; G15-L17 PolarHBondContact O-N 3.29Å | ||
| 16 | S | 48.2 | Very low | 45.3 | Very low | 98 Ų | 98 | 144.9 Ų | 144.9 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -66.4 | 108.1 | 166.6 | -45.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 17 | L | 47.6 | Very low | 45.1 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -146.7 | 93.3 | 150 | -81.8 | -174.2 | 0 | 0 | 0 | 110.9 | G15 | G15-L17 PolarHBondContact O-N 3.29Š| ||
| 18 | V | 42.1 | Very low | 45.2 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 62% | 0.618 | 77% | 0.769 | S | S | * | * | trans | 58.7 | 89.4 | 132.6 | -172 | 0 | 0 | 0 | 0 | 113.6 | Y20 | V18-Y20 PolarHBondContact O-N 3.02Å; V18-Y20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | G | 40.9 | Very low | 45.5 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | trans | -48.1 | 121.4 | 147.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | G21 | G19-G21 PolarHBondContact O-N 3.29Š| ||
| 20 | Y | 38.5 | Very low | 45.9 | Very low | 228 Ų | 228 | 133.9 Ų | 133.9 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | trans | -66.6 | 68.4 | 157.3 | -67.2 | -87.4 | 0 | 0 | 0 | 106.5 | V18 L22 | V18-Y20 PolarHBondContact O-N 3.02Å; V18-Y20 VanDerWaalsContact O-N 3.09Å; Y20-L22 VanDerWaalsContact C-N 3.28Å; Y20-L22 PolarHBondContact O-N 2.93Å | ||
| 21 | G | 38.4 | Very low | 47.2 | Very low | 61 Ų | 61 | 131 Ų | 131 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | -55 | 109.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 103.4 | G19 Q23 | G19-G21 PolarHBondContact O-N 3.29Å; G21-Q23 PolarHBondContact O-N 2.86Å | ||
| 22 | L | 37.4 | Very low | 49 | Very low | 160 Ų | 160 | 127 Ų | 127 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | trans | -55 | 90.2 | 161.4 | -157.2 | 92.9 | 0 | 0 | 0 | 104.3 | Y20 K24 | Y20-L22 VanDerWaalsContact C-N 3.28Å; Y20-L22 PolarHBondContact O-N 2.93Å; L22-K24 PolarHBondContact O-N 2.73Å | ||
| 23 | Q | 41.3 | Very low | 50.9 | Low | 169 Ų | 169 | 124 Ų | 124 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | -71.9 | 74.4 | 174.3 | -168.3 | 168.5 | -10.8 | 0 | 0 | 103.9 | G21 Q25 | G21-Q23 PolarHBondContact O-N 2.86Å; Q23-Q25 PolarHBondContact O-N 3.25Å | ||
| 24 | K | 41.7 | Very low | 52.6 | Low | 180 Ų | 180 | 123.5 Ų | 123.5 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | trans | -52.4 | 100.4 | 144.9 | -99.5 | -170.4 | 172.2 | -176.2 | 0 | 102.2 | L22 Q26 | L22-K24 PolarHBondContact O-N 2.73Å; K24-Q26 PolarHBondContact O-N 2.97Å | ||
| 25 | Q | 42.7 | Very low | 54.1 | Low | 140 Ų | 140 | 118.6 Ų | 118.6 | 65% | 0.654 | 67% | 0.667 | S | S | * | * | trans | -47.1 | 100.7 | 161.9 | -76.4 | 175.2 | -19 | 0 | 0 | 104.1 | Q23 M27 | Q23-Q25 PolarHBondContact O-N 3.25Å; Q25-M27 HydrophobicContact CB-CG 4.25Å; Q25-M27 PolarHBondContact O-N 2.95Å | ||
| 26 | Q | 42.5 | Very low | 56.2 | Low | 167 Ų | 167 | 118.7 Ų | 118.7 | 78% | 0.78 | 65% | 0.646 | S | S | * | * | trans | -70.4 | 73.4 | 161.4 | -168.9 | 166.5 | -14.6 | 0 | 0 | 102.8 | K24 N28 | K24-Q26 PolarHBondContact O-N 2.97Å; Q26-N28 PolarHBondContact O-N 3.08Å | ||
| 27 | M | 44 | Very low | 58.2 | Low | 128 Ų | 128 | 118.2 Ų | 118.2 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | trans | -54.7 | 106.1 | 156.8 | -73.2 | -164 | -179.4 | 0 | 0 | 102.3 | Q25 L29 | Q25-M27 HydrophobicContact CB-CG 4.25Å; Q25-M27 PolarHBondContact O-N 2.95Å; M27-L29 HydrophobicContact CB-CB 4.35Å; M27-L29 PolarHBondContact O-N 3.29Å | ||
| 28 | N | 49.1 | Very low | 60.1 | Low | 144 Ų | 144 | 110.7 Ų | 110.7 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | trans | -62.1 | 63.7 | 155.6 | -81.4 | -43.8 | 0 | 0 | 0 | 106.8 | Q26 S30 | Q26-N28 PolarHBondContact O-N 3.08Å; N28-S30 PolarHBondContact O-N 2.6Å; N28-S30 VanDerWaalsContact O-N 3.08Å | ||
| 29 | L | 57.2 | Low | 62.3 | Low | 71 Ų | 71 | 117.1 Ų | 117.1 | 37% | 0.372 | 61% | 0.614 | S | S | . | * | trans | -75 | 95.3 | 163.2 | -147.6 | 73.1 | 0 | 0 | 0 | 101.3 | M27 H31 E43 | M27-L29 HydrophobicContact CB-CB 4.35Å; M27-L29 PolarHBondContact O-N 3.29Å; L29-H31 PolarHBondContact O-N 2.02Å; L29-E43 HydrophobicContact CD2-CB 4.31Å; L29-E43 HydrophobicContact CD2-CG 3.99Å | ||
| 30 | S | 61.3 | Low | 64.4 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | trans | -47.9 | 102.7 | 163.1 | -70.9 | 0 | 0 | 0 | 0 | 105.3 | N28 K32 | N28-S30 PolarHBondContact O-N 2.6Å; N28-S30 VanDerWaalsContact O-N 3.08Å; S30-K32 PolarHBondContact O-N 2.73Å | ||
| 31 | H | 77.2 | Confident | 66.8 | Low | 106 Ų | 106 | 109.4 Ų | 109.4 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -63 | 121 | -171 | -79.8 | -74.4 | 0 | 0 | 0 | 106.6 | L29 V33 E42 E43 H45 | L29-H31 PolarHBondContact O-N 2.02Å; H31-V33 PolarHBondContact O-N 3.08Å; H31-E42 PolarHBondContact ND1-O 2.83Å; H31-E43 CarbonylContact C-O 3.52Å; H31-E43 WeakPolarHBondContact CA-O 3.46Å; H31-H45 HydrophobicContact CB-CB 3.8Å |
| 32 | K | 86.5 | Confident | 69.3 | Low | 67 Ų | 67 | 113.6 Ų | 113.6 | 29% | 0.291 | 58% | 0.576 | S | S | . | * | B | Isolated β-bridge | trans | -60.4 | 137.1 | -179.8 | -71 | -176.5 | -178.1 | 169 | 0 | 109.6 | S30 E36 P37 E43 C44 H45 C60 | S30-K32 PolarHBondContact O-N 2.73Å; K32-E36 WeakPolarHBondContact CA-OE2 3.41Å; K32-E36 HydrophobicContact CB-CB 4Å; K32-E36 WeakPolarHBondContact CB-OE2 2.95Å; K32-E36 HydrophobicContact CD-CB 4.35Å; K32-E36 HydrophobicContact CG-CB 4.43Å; K32-E36 WeakPolarHBondContact CG-OE2 2.97Å; K32-P37 WeakPolarHBondContact CD-O 3.48Å; K32-P37 WeakPolarHBondContact CE-O 3.11Å; K32-P37 PolarHBondContact NZ-O 3.29Å; K32-E43 WeakPolarHBondContact CB-O 3.34Å; K32-E43 HydrophobicContact CD-CB 4.3Å; K32-E43 PolarHBondContact N-O 3.42Å; K32-E43 IonicContact NZ-OE2 3.73Å; K32-E43 PolarHBondContact NZ-OE2 2.91Å; K32-C44 WeakPolarHBondContact O-CA 3.28Å; K32-H45 PolarHBondContact O-N 3.26Å; K32-C60 VanDerWaalsContact CB-SG 3.59Å |
| 33 | V | 87.8 | Confident | 71.7 | Confident | 90 Ų | 90 | 107.4 Ų | 107.4 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 166.2 | -179.1 | -63.3 | 0 | 0 | 0 | 0 | 110.6 | H31 G35 E36 C60 | H31-V33 PolarHBondContact O-N 3.08Å; V33-G35 PolarHBondContact O-N 2.91Å; V33-E36 HydrophobicContact CG2-CG 3.83Å; V33-E36 PolarHBondContact N-OE2 3.14Å; V33-E36 WeakPolarHBondContact O-CB 3.35Å; V33-E36 PolarHBondContact O-N 3.28Å; V33-E36 VanDerWaalsContact O-N 3.13Å; V33-C60 VanDerWaalsContact O-CB 3.26Å; V33-C60 WeakPolarHBondContact O-CB 3.27Å |
| 34 | I | 86.1 | Confident | 73.9 | Confident | 110 Ų | 110 | 99.5 Ų | 99.5 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 132.5 | 178.7 | -63.3 | 165.9 | 0 | 0 | 0 | 109.6 | C60 P62 | I34-C60 CarbonylContact C-O 3.51Å; I34-C60 WeakPolarHBondContact CA-O 3.29Å; I34-P62 HydrophobicContact CD1-CB 3.85Å; I34-P62 HydrophobicContact CD1-CG 4.28Å |
| 35 | G | 83.1 | Confident | 76.2 | Confident | 47 Ų | 47 | 98 Ų | 98 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -7.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V33 C60 | V33-G35 PolarHBondContact O-N 2.91Å; G35-C60 PolarHBondContact N-O 3.17Å |
| 36 | E | 87.4 | Confident | 78.3 | Confident | 82 Ų | 82 | 92.5 Ų | 92.5 | 38% | 0.383 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -81.9 | 146.8 | 174.3 | -71.1 | -169.6 | 133.6 | 0 | 0 | 112.3 | K32 V33 L59 C60 | K32-E36 WeakPolarHBondContact CA-OE2 3.41Å; K32-E36 HydrophobicContact CB-CB 4Å; K32-E36 WeakPolarHBondContact CB-OE2 2.95Å; K32-E36 HydrophobicContact CD-CB 4.35Å; K32-E36 HydrophobicContact CG-CB 4.43Å; K32-E36 WeakPolarHBondContact CG-OE2 2.97Å; V33-E36 HydrophobicContact CG2-CG 3.83Å; V33-E36 PolarHBondContact N-OE2 3.14Å; V33-E36 WeakPolarHBondContact O-CB 3.35Å; V33-E36 PolarHBondContact O-N 3.28Å; V33-E36 VanDerWaalsContact O-N 3.13Å; E36-L59 CarbonylContact O-C 3.56Å; E36-L59 VanDerWaalsContact O-CA 3.31Å; E36-L59 WeakPolarHBondContact O-CA 3.41Å; E36-C60 PolarHBondContact O-N 2.59Å |
| 37 | P | 88.7 | Confident | 80.5 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | B | Isolated β-bridge | trans | -68.2 | 134.5 | 178.5 | 28.3 | -34.4 | 0 | 0 | 0 | 111.6 | K32 T58 L59 | K32-P37 WeakPolarHBondContact CD-O 3.48Å; K32-P37 WeakPolarHBondContact CE-O 3.11Å; K32-P37 PolarHBondContact NZ-O 3.29Å; P37-T58 VanDerWaalsContact CA-O 3.29Å; P37-T58 WeakPolarHBondContact CA-O 3.49Å; P37-L59 HydrophobicContact CB-CD2 4.24Å |
| 38 | C | 88.1 | Confident | 82.7 | Confident | 3 Ų | 3 | 82 Ų | 82 | 2% | 0.02 | 43% | 0.43 | C | S | . | . | trans | -134 | 154.7 | -175.6 | 58 | 0 | 0 | 0 | 0 | 111 | E43 C44 C49 T58 L59 C60 | C38-E43 HydrophobicContact CB-CB 4.47Å; C38-C44 VanDerWaalsContact CB-SG 3.57Å; C38-C49 HydrophobicContact CB-CB 3.82Å; C38-C49 WeakPolarHBondContact CB-SG 3.24Å; C38-C49 PolarHBondContact O-SG 3.2Å; C38-C49 VanDerWaalsContact O-SG 3.35Å; C38-C49 WeakPolarHBondContact SG-CA 3.19Å; C38-C49 WeakPolarHBondContact SG-CB 3.32Å; C38-C49 CovalentContact SG-SG 2.02Å; C38-C49 PolarHBondContact SG-SG 3.01Å; C38-T58 PolarHBondContact N-O 3.37Å; C38-T58 VanDerWaalsContact O-CB 3.29Å; C38-T58 WeakPolarHBondContact O-CB 3.02Å; C38-T58 PolarHBondContact O-OG1 3.18Å; C38-L59 PolarHBondContact SG-O 3.3Å; C38-C60 PolarHBondContact SG-N 3.07Å | ||
| 39 | R | 88.2 | Confident | 84.6 | Confident | 236 Ų | 236 | 75.8 Ų | 75.8 | 89% | 0.891 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -111.1 | -29.3 | 171.2 | -62.6 | -177.7 | 179.4 | -178.7 | -0.1 | 112.4 | E43 | R39-E43 WeakPolarHBondContact CB-OE1 3.02Å; R39-E43 PolarHBondContact N-OE1 2.83Å; R39-E43 PolarHBondContact N-OE2 3.18Å |
| 40 | S | 86.1 | Confident | 86.1 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -129.6 | 154.5 | 179.7 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | E42 E43 C49 | S40-E42 VanDerWaalsContact C-N 3.27Å; S40-E42 PolarHBondContact O-N 3.45Å; S40-E43 PolarHBondContact N-OE1 3.48Å; S40-E43 WeakPolarHBondContact O-CB 3.14Å; S40-E43 PolarHBondContact O-N 3.08Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-OE1 3.36Å; S40-C49 WeakPolarHBondContact O-CB 3.15Å |
| 41 | H | 88.6 | Confident | 87.2 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -58.8 | -39.4 | 178.6 | -76 | -86.4 | 0 | 0 | 0 | 112.2 | E43 C44 N47 C48 C49 | H41-E43 PolarHBondContact O-N 2.75Å; H41-C44 PolarHBondContact O-N 3.28Å; H41-N47 VanDerWaalsContact CB-OD1 3.32Å; H41-N47 WeakPolarHBondContact CB-OD1 3.46Å; H41-N47 PolarHBondContact ND1-O 3.24Å; H41-N47 VanDerWaalsContact ND1-O 3.15Å; H41-N47 CarbonylContact O-C 3.57Å; H41-N47 VanDerWaalsContact O-CA 3.29Å; H41-N47 WeakPolarHBondContact O-CA 3.33Å; H41-N47 PolarHBondContact O-OD1 3.44Å; H41-C48 WeakPolarHBondContact ND1-CA 2.96Å; H41-C49 PolarHBondContact CE1-O 3.25Å; H41-C49 PolarHBondContact ND1-N 3.23Å; H41-C49 VanDerWaalsContact ND1-N 3.18Å |
| 42 | E | 89.8 | Confident | 87 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -67.5 | -19.6 | -174.1 | -53 | -159.9 | -153.5 | 0 | 0 | 113.4 | H31 S40 C44 N47 | H31-E42 PolarHBondContact ND1-O 2.83Å; S40-E42 VanDerWaalsContact C-N 3.27Å; S40-E42 PolarHBondContact O-N 3.45Å; E42-C44 VanDerWaalsContact C-N 3.27Å; E42-C44 PolarHBondContact O-N 3.31Å; E42-N47 PolarHBondContact N-OD1 2.92Å |
| 43 | E | 88.9 | Confident | 85.9 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -64.7 | -30.2 | 171.8 | -73.3 | 166.7 | -117.9 | 0 | 0 | 112.9 | L29 H31 K32 C38 R39 S40 H41 | L29-E43 HydrophobicContact CD2-CB 4.31Å; L29-E43 HydrophobicContact CD2-CG 3.99Å; H31-E43 CarbonylContact C-O 3.52Å; H31-E43 WeakPolarHBondContact CA-O 3.46Å; K32-E43 WeakPolarHBondContact CB-O 3.34Å; K32-E43 HydrophobicContact CD-CB 4.3Å; K32-E43 PolarHBondContact N-O 3.42Å; K32-E43 IonicContact NZ-OE2 3.73Å; K32-E43 PolarHBondContact NZ-OE2 2.91Å; C38-E43 HydrophobicContact CB-CB 4.47Å; R39-E43 WeakPolarHBondContact CB-OE1 3.02Å; R39-E43 PolarHBondContact N-OE1 2.83Å; R39-E43 PolarHBondContact N-OE2 3.18Å; S40-E43 PolarHBondContact N-OE1 3.48Å; S40-E43 WeakPolarHBondContact O-CB 3.14Å; S40-E43 PolarHBondContact O-N 3.08Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-OE1 3.36Å; H41-E43 PolarHBondContact O-N 2.75Å |
| 44 | C | 88.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -90.9 | 141.3 | -173.8 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | K32 C38 H41 E42 S46 N47 C48 C60 | K32-C44 WeakPolarHBondContact O-CA 3.28Å; C38-C44 VanDerWaalsContact CB-SG 3.57Å; H41-C44 PolarHBondContact O-N 3.28Å; E42-C44 VanDerWaalsContact C-N 3.27Å; E42-C44 PolarHBondContact O-N 3.31Å; C44-S46 PolarHBondContact O-N 3.08Å; C44-N47 WeakPolarHBondContact O-CA 3.24Å; C44-N47 PolarHBondContact O-N 2.02Å; C44-C48 PolarHBondContact SG-O 3.06Å; C44-C48 VanDerWaalsContact SG-O 3.35Å; C44-C60 VanDerWaalsContact CA-SG 3.51Å; C44-C60 HydrophobicContact CB-CB 3.69Å; C44-C60 WeakPolarHBondContact CB-SG 3.34Å; C44-C60 WeakPolarHBondContact SG-CA 3.01Å; C44-C60 WeakPolarHBondContact SG-CB 3.29Å; C44-C60 CovalentContact SG-SG 2.03Å; C44-C60 PolarHBondContact SG-SG 2.95Å |
| 45 | H | 89.3 | Confident | 83.8 | Confident | 150 Ų | 150 | 65.1 Ų | 65.1 | 69% | 0.694 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -35.3 | 174.2 | -176.3 | 67.3 | 0 | 0 | 0 | 112.4 | H31 K32 N47 | H31-H45 HydrophobicContact CB-CB 3.8Å; K32-H45 PolarHBondContact O-N 3.26Å; H45-N47 PolarHBondContact O-N 2.79Å |
| 46 | S | 85.6 | Confident | 83.3 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.8 | 174.8 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | C44 C48 T61 K63 | C44-S46 PolarHBondContact O-N 3.08Å; S46-C48 PolarHBondContact O-N 3.17Å; S46-C48 PolarHBondContact OG-N 3.14Å; S46-T61 WeakPolarHBondContact CB-O 3.47Å; S46-T61 PolarHBondContact OG-O 3.42Å; S46-K63 WeakPolarHBondContact O-CD 3.31Å; S46-K63 WeakPolarHBondContact O-CE 3.36Å |
| 47 | N | 89.4 | Confident | 83 | Confident | 74 Ų | 74 | 69.8 Ų | 69.8 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 54.6 | 31.4 | -166.5 | -155.8 | 8.9 | 0 | 0 | 0 | 113.1 | H41 E42 C44 H45 C69 | H41-N47 VanDerWaalsContact CB-OD1 3.32Å; H41-N47 WeakPolarHBondContact CB-OD1 3.46Å; H41-N47 PolarHBondContact ND1-O 3.24Å; H41-N47 VanDerWaalsContact ND1-O 3.15Å; H41-N47 CarbonylContact O-C 3.57Å; H41-N47 VanDerWaalsContact O-CA 3.29Å; H41-N47 WeakPolarHBondContact O-CA 3.33Å; H41-N47 PolarHBondContact O-OD1 3.44Å; E42-N47 PolarHBondContact N-OD1 2.92Å; C44-N47 WeakPolarHBondContact O-CA 3.24Å; C44-N47 PolarHBondContact O-N 2.02Å; H45-N47 PolarHBondContact O-N 2.79Å; N47-C69 PolarHBondContact O-SG 3.07Å |
| 48 | C | 90.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -131.1 | 108.8 | -179.7 | -71.9 | 0 | 0 | 0 | 0 | 111.3 | H41 C44 S46 C60 T61 K63 C69 | H41-C48 WeakPolarHBondContact ND1-CA 2.96Å; C44-C48 PolarHBondContact SG-O 3.06Å; C44-C48 VanDerWaalsContact SG-O 3.35Å; S46-C48 PolarHBondContact O-N 3.17Å; S46-C48 PolarHBondContact OG-N 3.14Å; C48-C60 CarbonylContact O-C 3.57Å; C48-C60 WeakPolarHBondContact O-CA 3.49Å; C48-T61 VanDerWaalsContact CB-O 3.26Å; C48-T61 WeakPolarHBondContact CB-O 3.45Å; C48-T61 PolarHBondContact O-N 2.88Å; C48-K63 WeakPolarHBondContact SG-CG 3.44Å; C48-C69 WeakPolarHBondContact CA-SG 3.46Å; C48-C69 HydrophobicContact CB-CB 3.7Å; C48-C69 WeakPolarHBondContact CB-SG 3.34Å; C48-C69 WeakPolarHBondContact SG-CA 3.25Å; C48-C69 WeakPolarHBondContact SG-CB 3.39Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 3.45Å | ||
| 49 | C | 90.3 | Very high | 83 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 10% | 0.095 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 115.9 | 172.1 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | C38 S40 H41 | C38-C49 HydrophobicContact CB-CB 3.82Å; C38-C49 WeakPolarHBondContact CB-SG 3.24Å; C38-C49 PolarHBondContact O-SG 3.2Å; C38-C49 VanDerWaalsContact O-SG 3.35Å; C38-C49 WeakPolarHBondContact SG-CA 3.19Å; C38-C49 WeakPolarHBondContact SG-CB 3.32Å; C38-C49 CovalentContact SG-SG 2.02Å; C38-C49 PolarHBondContact SG-SG 3.01Å; S40-C49 WeakPolarHBondContact O-CB 3.15Å; H41-C49 PolarHBondContact CE1-O 3.25Å; H41-C49 PolarHBondContact ND1-N 3.23Å; H41-C49 VanDerWaalsContact ND1-N 3.18Å |
| 50 | T | 88.2 | Confident | 83 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.7 | -174.1 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | L59 T61 C69 | T50-L59 PolarHBondContact N-O 3.31Å; T50-L59 PolarHBondContact O-N 3.49Å; T50-T61 WeakPolarHBondContact OG1-CG2 3.02Å; T50-T61 PolarHBondContact OG1-OG1 3.17Å; T50-C69 HydrophobicContact CG2-CB 4.09Å |
| 51 | T | 83.1 | Confident | 83.1 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 140.1 | 176.1 | -44.7 | 0 | 0 | 0 | 0 | 111.3 | T58 P71 | T51-T58 WeakPolarHBondContact OG1-CG2 3.38Å; T51-P71 VanDerWaalsContact O-CB 3.31Å; T51-P71 WeakPolarHBondContact O-CB 3.41Å |
| 52 | N | 73.1 | Confident | 83 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 19% | 0.193 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 135.3 | 172.1 | -172.5 | -23.3 | 0 | 0 | 0 | 110.1 | L54 D55 H57 | N52-L54 PolarHBondContact O-N 2.84Å; N52-L54 PolarHBondContact OD1-N 2.87Å; N52-D55 CarbonylContact C-O 3.52Å; N52-D55 WeakPolarHBondContact CB-O 3.03Å; N52-D55 CarbonylContact O-C 3.43Å; N52-D55 PolarHBondContact O-N 2.72Å; N52-H57 PolarHBondContact N-O 3.39Å |
| 53 | S | 64.5 | Low | 82.8 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.7 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 113.9 | W72 | S53-W72 PolarHBondContact N-O 2.79Š|
| 54 | L | 64.3 | Low | 82.6 | Confident | 99 Ų | 99 | 54.3 Ų | 54.3 | 52% | 0.518 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -22.1 | 178.6 | -72.9 | 168.2 | 0 | 0 | 0 | 113.7 | N52 W72 | N52-L54 PolarHBondContact O-N 2.84Å; N52-L54 PolarHBondContact OD1-N 2.87Å; L54-W72 HydrophobicContact CB-CZ3 4.47Å; L54-W72 HydrophobicContact CD1-CE3 4.47Å; L54-W72 HydrophobicContact CD1-CH2 3.35Å; L54-W72 HydrophobicContact CD1-CZ2 4.27Å; L54-W72 HydrophobicContact CD1-CZ3 3.5Å; L54-W72 VanDerWaalsContact CD1-CZ3 3.5Å; L54-W72 HydrophobicContact CG-CH2 3.95Å; L54-W72 HydrophobicContact CG-CZ3 3.59Å |
| 55 | D | 65.5 | Low | 82.3 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 34% | 0.342 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 120.2 | -169.5 | -179.2 | 19.5 | 0 | 0 | 0 | 108.8 | N52 H57 | N52-D55 CarbonylContact C-O 3.52Å; N52-D55 WeakPolarHBondContact CB-O 3.03Å; N52-D55 CarbonylContact O-C 3.43Å; N52-D55 PolarHBondContact O-N 2.72Å; D55-H57 VanDerWaalsContact CG-CD2 3.45Å; D55-H57 PolarHBondContact O-N 2.04Å; D55-H57 IonicContact OD1-CD2 3.55Å; D55-H57 PolarHBondContact OD1-CD2 3.08Å; D55-H57 IonicContact OD1-CG 2.76Å; D55-H57 IonicContact OD1-NE2 2.59Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 PolarHBondContact OD2-CD2 2.74Å; D55-H57 IonicContact OD2-CG 3.05Å |
| 56 | P | 72.4 | Confident | 82.2 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 72% | 0.721 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 1 | -174.7 | 25.9 | -36.6 | 0 | 0 | 0 | 114.8 | ||
| 57 | H | 81.4 | Confident | 82.1 | Confident | 117 Ų | 117 | 66.7 Ų | 66.7 | 54% | 0.542 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136 | 173.6 | -63.4 | -48.8 | 0 | 0 | 0 | 112.5 | N52 D55 | N52-H57 PolarHBondContact N-O 3.39Å; D55-H57 VanDerWaalsContact CG-CD2 3.45Å; D55-H57 PolarHBondContact O-N 2.04Å; D55-H57 IonicContact OD1-CD2 3.55Å; D55-H57 PolarHBondContact OD1-CD2 3.08Å; D55-H57 IonicContact OD1-CG 2.76Å; D55-H57 IonicContact OD1-NE2 2.59Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 PolarHBondContact OD2-CD2 2.74Å; D55-H57 IonicContact OD2-CG 3.05Å |
| 58 | T | 86.4 | Confident | 81.9 | Confident | 52 Ų | 52 | 67.9 Ų | 67.9 | 32% | 0.319 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 121.7 | 174.3 | 40.7 | 0 | 0 | 0 | 0 | 109.5 | P37 C38 T51 | P37-T58 VanDerWaalsContact CA-O 3.29Å; P37-T58 WeakPolarHBondContact CA-O 3.49Å; C38-T58 PolarHBondContact N-O 3.37Å; C38-T58 VanDerWaalsContact O-CB 3.29Å; C38-T58 WeakPolarHBondContact O-CB 3.02Å; C38-T58 PolarHBondContact O-OG1 3.18Å; T51-T58 WeakPolarHBondContact OG1-CG2 3.38Å |
| 59 | L | 89.6 | Confident | 81.7 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 20% | 0.204 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.4 | -177.3 | -56.8 | 175.1 | 0 | 0 | 0 | 110.5 | E36 P37 C38 T50 T61 | E36-L59 CarbonylContact O-C 3.56Å; E36-L59 VanDerWaalsContact O-CA 3.31Å; E36-L59 WeakPolarHBondContact O-CA 3.41Å; P37-L59 HydrophobicContact CB-CD2 4.24Å; C38-L59 PolarHBondContact SG-O 3.3Å; T50-L59 PolarHBondContact N-O 3.31Å; T50-L59 PolarHBondContact O-N 3.49Å; L59-T61 PolarHBondContact O-N 3.35Å |
| 60 | C | 88.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 125.6 | 171.5 | -68.9 | 0 | 0 | 0 | 0 | 110.2 | K32 V33 I34 G35 E36 C38 C44 C48 | K32-C60 VanDerWaalsContact CB-SG 3.59Å; V33-C60 VanDerWaalsContact O-CB 3.26Å; V33-C60 WeakPolarHBondContact O-CB 3.27Å; I34-C60 CarbonylContact C-O 3.51Å; I34-C60 WeakPolarHBondContact CA-O 3.29Å; G35-C60 PolarHBondContact N-O 3.17Å; E36-C60 PolarHBondContact O-N 2.59Å; C38-C60 PolarHBondContact SG-N 3.07Å; C44-C60 VanDerWaalsContact CA-SG 3.51Å; C44-C60 HydrophobicContact CB-CB 3.69Å; C44-C60 WeakPolarHBondContact CB-SG 3.34Å; C44-C60 WeakPolarHBondContact SG-CA 3.01Å; C44-C60 WeakPolarHBondContact SG-CB 3.29Å; C44-C60 CovalentContact SG-SG 2.03Å; C44-C60 PolarHBondContact SG-SG 2.95Å; C48-C60 CarbonylContact O-C 3.57Å; C48-C60 WeakPolarHBondContact O-CA 3.49Å |
| 61 | T | 87.3 | Confident | 80.8 | Confident | 20 Ų | 20 | 75.6 Ų | 75.6 | 12% | 0.123 | 42% | 0.415 | C | S | . | . | trans | -120.6 | 152.4 | -179.5 | 52 | 0 | 0 | 0 | 0 | 111.2 | S46 C48 T50 L59 | S46-T61 WeakPolarHBondContact CB-O 3.47Å; S46-T61 PolarHBondContact OG-O 3.42Å; C48-T61 VanDerWaalsContact CB-O 3.26Å; C48-T61 WeakPolarHBondContact CB-O 3.45Å; C48-T61 PolarHBondContact O-N 2.88Å; T50-T61 WeakPolarHBondContact OG1-CG2 3.02Å; T50-T61 PolarHBondContact OG1-OG1 3.17Å; L59-T61 PolarHBondContact O-N 3.35Å | ||
| 62 | P | 86.6 | Confident | 80.6 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 47% | 0.474 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 153.2 | 173.3 | 28 | -33.1 | 0 | 0 | 0 | 111.1 | I34 | I34-P62 HydrophobicContact CD1-CB 3.85Å; I34-P62 HydrophobicContact CD1-CG 4.28Å |
| 63 | K | 86.8 | Confident | 81.1 | Confident | 87 Ų | 87 | 78.3 Ų | 78.3 | 38% | 0.378 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 145.7 | 165.9 | -81 | 178.7 | 171.9 | 170.5 | 0 | 110.2 | S46 C48 L67 | S46-K63 WeakPolarHBondContact O-CD 3.31Å; S46-K63 WeakPolarHBondContact O-CE 3.36Å; C48-K63 WeakPolarHBondContact SG-CG 3.44Å; K63-L67 HydrophobicContact CD-CB 4.39Å; K63-L67 HydrophobicContact CD-CD2 4.21Å |
| 64 | T | 84 | Confident | 82.1 | Confident | 47 Ų | 47 | 77.4 Ų | 77.4 | 29% | 0.288 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -68 | 169.9 | 166 | 67.3 | 0 | 0 | 0 | 0 | 110.6 | L66 L67 Q68 L70 | T64-L66 PolarHBondContact O-N 3.34Å; T64-L66 VanDerWaalsContact O-N 3.09Å; T64-L66 PolarHBondContact OG1-N 3.29Å; T64-L67 WeakPolarHBondContact O-CA 3.37Å; T64-L67 PolarHBondContact O-N 2.54Å; T64-Q68 PolarHBondContact N-O 3.44Å; T64-Q68 PolarHBondContact OG1-N 2.74Å; T64-L70 HydrophobicContact CG2-CB 4.47Å; T64-L70 HydrophobicContact CG2-CD1 3.68Å; T64-L70 HydrophobicContact CG2-CG 3.96Å |
| 65 | I | 82.6 | Confident | 83 | Confident | 176 Ų | 176 | 74.6 Ų | 74.6 | 90% | 0.903 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -26.5 | 172.4 | -65.1 | 164.9 | 0 | 0 | 0 | 111.4 | L67 | I65-L67 VanDerWaalsContact C-N 3.25Å; I65-L67 PolarHBondContact O-N 3.31Å |
| 66 | L | 85.8 | Confident | 84 | Confident | 130 Ų | 130 | 75.9 Ų | 75.9 | 68% | 0.681 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 12.1 | 176 | -57.6 | 178.7 | 0 | 0 | 0 | 113.4 | T64 Q68 | T64-L66 PolarHBondContact O-N 3.34Å; T64-L66 VanDerWaalsContact O-N 3.09Å; T64-L66 PolarHBondContact OG1-N 3.29Å; L66-Q68 HydrophobicContact CB-CG 4.21Å; L66-Q68 PolarHBondContact O-N 3.4Å |
| 67 | L | 83.8 | Confident | 84.3 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 68% | 0.681 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 59.8 | 21 | -177.3 | -56.3 | 174.4 | 0 | 0 | 0 | 114.6 | K63 T64 I65 | K63-L67 HydrophobicContact CD-CB 4.39Å; K63-L67 HydrophobicContact CD-CD2 4.21Å; T64-L67 WeakPolarHBondContact O-CA 3.37Å; T64-L67 PolarHBondContact O-N 2.54Å; I65-L67 VanDerWaalsContact C-N 3.25Å; I65-L67 PolarHBondContact O-N 3.31Å |
| 68 | Q | 85 | Confident | 84.5 | Confident | 99 Ų | 99 | 73.1 Ų | 73.1 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | trans | -88.7 | 140.8 | 178.7 | -63.4 | 177.8 | -8.1 | 0 | 0 | 111.2 | T64 L66 L70 | T64-Q68 PolarHBondContact N-O 3.44Å; T64-Q68 PolarHBondContact OG1-N 2.74Å; L66-Q68 HydrophobicContact CB-CG 4.21Å; L66-Q68 PolarHBondContact O-N 3.4Å; Q68-L70 HydrophobicContact CB-CD2 4.43Å; Q68-L70 HydrophobicContact CB-CG 4.36Å | ||
| 69 | C | 85.4 | Confident | 84.5 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 28% | 0.284 | 40% | 0.402 | S | S | . | . | trans | -86.1 | 105.7 | 167 | -57.3 | 0 | 0 | 0 | 0 | 108.3 | N47 C48 T50 | N47-C69 PolarHBondContact O-SG 3.07Å; C48-C69 WeakPolarHBondContact CA-SG 3.46Å; C48-C69 HydrophobicContact CB-CB 3.7Å; C48-C69 WeakPolarHBondContact CB-SG 3.34Å; C48-C69 WeakPolarHBondContact SG-CA 3.25Å; C48-C69 WeakPolarHBondContact SG-CB 3.39Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 3.45Å; T50-C69 HydrophobicContact CG2-CB 4.09Å | ||
| 70 | L | 81.3 | Confident | 84.3 | Confident | 90 Ų | 90 | 76.3 Ų | 76.3 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | trans | -106.3 | 134.1 | 175.5 | -63.8 | -177.5 | 0 | 0 | 0 | 109.4 | T64 Q68 | T64-L70 HydrophobicContact CG2-CB 4.47Å; T64-L70 HydrophobicContact CG2-CD1 3.68Å; T64-L70 HydrophobicContact CG2-CG 3.96Å; Q68-L70 HydrophobicContact CB-CD2 4.43Å; Q68-L70 HydrophobicContact CB-CG 4.36Å | ||
| 71 | P | 79.1 | Confident | 84.3 | Confident | 60 Ų | 60 | 81.1 Ų | 81.1 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | trans | -59.8 | 146.2 | 170.1 | 27.2 | -32.9 | 0 | 0 | 0 | 109.3 | T51 K73 | T51-P71 VanDerWaalsContact O-CB 3.31Å; T51-P71 WeakPolarHBondContact O-CB 3.41Å; P71-K73 PolarHBondContact O-N 2.03Å | ||
| 72 | W | 78.6 | Confident | 84.2 | Confident | 92 Ų | 92 | 84.1 Ų | 84.1 | 35% | 0.348 | 44% | 0.444 | S | S | . | . | trans | -62.5 | 128.7 | 172.5 | -175.9 | 95.3 | 0 | 0 | 0 | 108.9 | S53 L54 K74 P75 | S53-W72 PolarHBondContact N-O 2.79Å; L54-W72 HydrophobicContact CB-CZ3 4.47Å; L54-W72 HydrophobicContact CD1-CE3 4.47Å; L54-W72 HydrophobicContact CD1-CH2 3.35Å; L54-W72 HydrophobicContact CD1-CZ2 4.27Å; L54-W72 HydrophobicContact CD1-CZ3 3.5Å; L54-W72 VanDerWaalsContact CD1-CZ3 3.5Å; L54-W72 HydrophobicContact CG-CH2 3.95Å; L54-W72 HydrophobicContact CG-CZ3 3.59Å; W72-K74 HydrophobicContact CH2-CB 4.36Å; W72-K74 HydrophobicContact CH2-CG 4.07Å; W72-K74 HydrophobicContact CZ3-CB 4.33Å; W72-K74 HydrophobicContact CZ3-CG 3.76Å; W72-P75 HydrophobicContact CZ2-CG 4.44Å | ||
| 73 | K | 84.5 | Confident | 84.2 | Confident | 69 Ų | 69 | 84.2 Ų | 84.2 | 30% | 0.3 | 44% | 0.44 | S | S | . | . | trans | -118.4 | 151 | 177 | -66.8 | -170.9 | 177.1 | -162.9 | 0 | 109.9 | P71 S84 E85 C86 Q87 | P71-K73 PolarHBondContact O-N 2.03Å; K73-S84 WeakPolarHBondContact CD-O 3.33Å; K73-S84 VanDerWaalsContact CE-O 3.27Å; K73-S84 WeakPolarHBondContact CE-O 3.28Å; K73-S84 PolarHBondContact NZ-O 3.09Å; K73-E85 CarbonylContact C-O 3.6Å; K73-E85 WeakPolarHBondContact CB-O 3.48Å; K73-C86 WeakPolarHBondContact CD-O 3.48Å; K73-Q87 HydrophobicContact CB-CB 4.13Å | ||
| 74 | K | 84.2 | Confident | 84.1 | Confident | 27 Ų | 27 | 83.4 Ų | 83.4 | 12% | 0.117 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -60.8 | 129 | -178.7 | -66.6 | 177.8 | -176.7 | 176.2 | 0 | 111 | W72 Y78 R79 E85 C86 Q87 | W72-K74 HydrophobicContact CH2-CB 4.36Å; W72-K74 HydrophobicContact CH2-CG 4.07Å; W72-K74 HydrophobicContact CZ3-CB 4.33Å; W72-K74 HydrophobicContact CZ3-CG 3.76Å; K74-Y78 HydrophobicContact CB-CG 4.49Å; K74-R79 VanDerWaalsContact CD-O 3.32Å; K74-R79 WeakPolarHBondContact CD-O 3.19Å; K74-R79 PolarHBondContact NZ-O 3.24Å; K74-E85 WeakPolarHBondContact CB-O 3.05Å; K74-E85 HydrophobicContact CD-CB 4.22Å; K74-E85 WeakPolarHBondContact CE-OE2 3.5Å; K74-E85 PolarHBondContact N-O 2.85Å; K74-E85 IonicContact NZ-OE2 2.79Å; K74-E85 PolarHBondContact NZ-OE2 3.48Å; K74-C86 WeakPolarHBondContact O-CA 3.35Å; K74-Q87 PolarHBondContact O-N 2.9Å |
| 75 | P | 84.6 | Confident | 84.2 | Confident | 41 Ų | 41 | 82.8 Ų | 82.8 | 27% | 0.266 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 172.9 | 174.8 | 31.6 | -33 | 0 | 0 | 0 | 110.7 | W72 Y78 C102 | W72-P75 HydrophobicContact CZ2-CG 4.44Å; P75-Y78 HydrophobicContact CG-CD2 3.54Å; P75-Y78 HydrophobicContact CG-CE2 3.38Å; P75-Y78 HydrophobicContact CG-CG 4.46Å; P75-Y78 WeakPolarHBondContact O-CD2 3.47Å; P75-Y78 PolarHBondContact O-N 3.05Å; P75-C102 WeakPolarHBondContact O-CB 3.33Å |
| 76 | N | 85.3 | Confident | 84.4 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 141.1 | -178.4 | -62.1 | -30.4 | 0 | 0 | 0 | 111.9 | C102 T103 S104 | N76-C102 CarbonylContact C-O 3.5Å; N76-C102 VanDerWaalsContact CA-O 3.31Å; N76-C102 WeakPolarHBondContact CA-O 3.43Å; N76-T103 PolarHBondContact OD1-O 2.98Å; N76-S104 PolarHBondContact OD1-N 3.18Å |
| 77 | G | 79.7 | Confident | 84.5 | Confident | 55 Ų | 55 | 75 Ų | 75 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -11 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F101 C102 | G77-F101 WeakPolarHBondContact O-CD1 3.39Å; G77-C102 PolarHBondContact N-O 2.74Å |
| 78 | Y | 84.6 | Confident | 84.6 | Confident | 115 Ų | 115 | 69.9 Ų | 69.9 | 45% | 0.451 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -78.5 | 149.1 | 173.4 | -78.3 | -107.8 | 0 | 0 | 0 | 111.3 | K74 P75 F101 C102 | K74-Y78 HydrophobicContact CB-CG 4.49Å; P75-Y78 HydrophobicContact CG-CD2 3.54Å; P75-Y78 HydrophobicContact CG-CE2 3.38Å; P75-Y78 HydrophobicContact CG-CG 4.46Å; P75-Y78 WeakPolarHBondContact O-CD2 3.47Å; P75-Y78 PolarHBondContact O-N 3.05Å; Y78-F101 CarbonylContact O-C 3.5Å; Y78-F101 VanDerWaalsContact O-CA 3.22Å; Y78-F101 WeakPolarHBondContact O-CA 3.36Å; Y78-C102 PolarHBondContact O-N 3.26Å |
| 79 | R | 86.2 | Confident | 84.8 | Confident | 149 Ų | 149 | 67.7 Ų | 67.7 | 56% | 0.562 | 37% | 0.366 | S | S | * | . | B | Isolated β-bridge | trans | -69.3 | 136.5 | 175.1 | -68.4 | 177.7 | 68.7 | -174.5 | -1.9 | 110.6 | K74 E100 F101 | K74-R79 VanDerWaalsContact CD-O 3.32Å; K74-R79 WeakPolarHBondContact CD-O 3.19Å; K74-R79 PolarHBondContact NZ-O 3.24Å; R79-E100 WeakPolarHBondContact CA-O 3.25Å; R79-F101 HydrophobicContact CG-CD1 3.82Å; R79-F101 HydrophobicContact CG-CE1 3.48Å; R79-F101 VanDerWaalsContact CG-CE1 3.48Å; R79-F101 HydrophobicContact CG-CZ 4.29Å |
| 80 | C | 86.3 | Confident | 85 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.054 | 35% | 0.353 | C | S | . | . | trans | -134 | 159.7 | 178.3 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | E85 C86 C91 E100 F101 C102 | C80-E85 WeakPolarHBondContact CA-OE2 3.37Å; C80-E85 HydrophobicContact CB-CB 4.43Å; C80-C86 VanDerWaalsContact CB-SG 3.6Å; C80-C86 VanDerWaalsContact SG-SG 3.69Å; C80-C91 HydrophobicContact CB-CB 3.84Å; C80-C91 WeakPolarHBondContact CB-SG 3.22Å; C80-C91 WeakPolarHBondContact SG-CA 3.36Å; C80-C91 WeakPolarHBondContact SG-CB 3.24Å; C80-C91 CovalentContact SG-SG 2.02Å; C80-C91 PolarHBondContact SG-SG 2.94Å; C80-E100 PolarHBondContact N-O 2.6Å; C80-F101 VanDerWaalsContact SG-CA 3.58Å; C80-C102 PolarHBondContact SG-N 3.3Å; C80-C102 VanDerWaalsContact SG-N 3.44Å | ||
| 81 | S | 88.1 | Confident | 85.4 | Confident | 102 Ų | 102 | 62 Ų | 62 | 71% | 0.713 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -118.6 | -26 | 169.8 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | E85 | S81-E85 WeakPolarHBondContact CA-OE1 3.15Å; S81-E85 WeakPolarHBondContact CB-OE1 3.02Å; S81-E85 PolarHBondContact N-OE1 3.28Å |
| 82 | D | 85.5 | Confident | 85.8 | Confident | 84 Ų | 84 | 60.4 Ų | 60.4 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -128.5 | 152.6 | 173.7 | -173.6 | -99.9 | 0 | 0 | 0 | 112.3 | S84 E85 | D82-S84 VanDerWaalsContact C-N 3.26Å; D82-S84 PolarHBondContact O-N 2.04Å; D82-S84 WeakPolarHBondContact OD1-CB 3.19Å; D82-S84 PolarHBondContact OD1-N 2.8Å; D82-S84 PolarHBondContact OD1-OG 2.83Å; D82-E85 HydrophobicContact CB-CG 4.41Å; D82-E85 PolarHBondContact N-OE1 3.38Å; D82-E85 WeakPolarHBondContact O-CB 2.99Å; D82-E85 PolarHBondContact O-N 3.44Å |
| 83 | N | 87.2 | Confident | 85.9 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -58.3 | -37.2 | 177 | -78.6 | -23.9 | 0 | 0 | 0 | 112.5 | E85 C86 S89 C91 | N83-E85 PolarHBondContact O-N 2.88Å; N83-C86 PolarHBondContact O-N 2.94Å; N83-C86 VanDerWaalsContact O-N 3.1Å; N83-S89 WeakPolarHBondContact CB-O 3.05Å; N83-S89 CarbonylContact O-C 3.55Å; N83-S89 VanDerWaalsContact O-CA 3.25Å; N83-S89 WeakPolarHBondContact O-CA 3.41Å; N83-C91 WeakPolarHBondContact OD1-CA 3.02Å; N83-C91 WeakPolarHBondContact OD1-CB 3.36Å; N83-C91 PolarHBondContact OD1-N 3.02Å; N83-C91 PolarHBondContact OD1-O 3.45Å |
| 84 | S | 84.9 | Confident | 85.2 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -64.4 | -22.6 | -175.8 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | K73 D82 C86 | K73-S84 WeakPolarHBondContact CD-O 3.33Å; K73-S84 VanDerWaalsContact CE-O 3.27Å; K73-S84 WeakPolarHBondContact CE-O 3.28Å; K73-S84 PolarHBondContact NZ-O 3.09Å; D82-S84 VanDerWaalsContact C-N 3.26Å; D82-S84 PolarHBondContact O-N 2.04Å; D82-S84 WeakPolarHBondContact OD1-CB 3.19Å; D82-S84 PolarHBondContact OD1-N 2.8Å; D82-S84 PolarHBondContact OD1-OG 2.83Å; S84-C86 VanDerWaalsContact C-N 3.26Å; S84-C86 PolarHBondContact O-N 3.22Å |
| 85 | E | 85.9 | Confident | 84 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 16% | 0.164 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -68 | -26.8 | 176.4 | -61.8 | 177.1 | -135.9 | 0 | 0 | 112.3 | K73 K74 C80 S81 D82 N83 | K73-E85 CarbonylContact C-O 3.6Å; K73-E85 WeakPolarHBondContact CB-O 3.48Å; K74-E85 WeakPolarHBondContact CB-O 3.05Å; K74-E85 HydrophobicContact CD-CB 4.22Å; K74-E85 WeakPolarHBondContact CE-OE2 3.5Å; K74-E85 PolarHBondContact N-O 2.85Å; K74-E85 IonicContact NZ-OE2 2.79Å; K74-E85 PolarHBondContact NZ-OE2 3.48Å; C80-E85 WeakPolarHBondContact CA-OE2 3.37Å; C80-E85 HydrophobicContact CB-CB 4.43Å; S81-E85 WeakPolarHBondContact CA-OE1 3.15Å; S81-E85 WeakPolarHBondContact CB-OE1 3.02Å; S81-E85 PolarHBondContact N-OE1 3.28Å; D82-E85 HydrophobicContact CB-CG 4.41Å; D82-E85 PolarHBondContact N-OE1 3.38Å; D82-E85 WeakPolarHBondContact O-CB 2.99Å; D82-E85 PolarHBondContact O-N 3.44Å; N83-E85 PolarHBondContact O-N 2.88Å |
| 86 | C | 87.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -90.8 | 140.4 | -174.5 | -59 | 0 | 0 | 0 | 0 | 111.6 | K73 K74 C80 N83 S84 S88 S89 C90 C102 | K73-C86 WeakPolarHBondContact CD-O 3.48Å; K74-C86 WeakPolarHBondContact O-CA 3.35Å; C80-C86 VanDerWaalsContact CB-SG 3.6Å; C80-C86 VanDerWaalsContact SG-SG 3.69Å; N83-C86 PolarHBondContact O-N 2.94Å; N83-C86 VanDerWaalsContact O-N 3.1Å; S84-C86 VanDerWaalsContact C-N 3.26Å; S84-C86 PolarHBondContact O-N 3.22Å; C86-S88 PolarHBondContact O-N 3.2Å; C86-S89 PolarHBondContact O-N 3Å; C86-C90 PolarHBondContact SG-O 2.95Å; C86-C90 VanDerWaalsContact SG-O 3.41Å; C86-C102 VanDerWaalsContact CA-SG 3.5Å; C86-C102 HydrophobicContact CB-CB 3.67Å; C86-C102 WeakPolarHBondContact CB-SG 3.11Å; C86-C102 WeakPolarHBondContact SG-CA 2.95Å; C86-C102 WeakPolarHBondContact SG-CB 3.49Å; C86-C102 CovalentContact SG-SG 2.04Å; C86-C102 PolarHBondContact SG-SG 3.44Å |
| 87 | Q | 87.3 | Confident | 81.5 | Confident | 143 Ų | 143 | 69 Ų | 69 | 67% | 0.668 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -36.7 | 176.3 | -174.9 | -179.3 | 7.6 | 0 | 0 | 111.8 | K73 K74 S89 | K73-Q87 HydrophobicContact CB-CB 4.13Å; K74-Q87 PolarHBondContact O-N 2.9Å; Q87-S89 VanDerWaalsContact C-N 3.26Å; Q87-S89 PolarHBondContact O-N 3.1Å |
| 88 | S | 86.4 | Confident | 80.9 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.5 | 174.6 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | C86 C90 T103 Q105 | C86-S88 PolarHBondContact O-N 3.2Å; S88-C90 PolarHBondContact O-N 2.02Å; S88-C90 PolarHBondContact O-SG 2.77Å; S88-T103 WeakPolarHBondContact CB-O 3.44Å; S88-T103 PolarHBondContact OG-O 3.41Å; S88-Q105 VanDerWaalsContact O-CG 3.25Å; S88-Q105 WeakPolarHBondContact O-CG 3.28Å; S88-Q105 PolarHBondContact O-NE2 2.87Å |
| 89 | S | 89 | Confident | 80.5 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 54.1 | 25.6 | -173.4 | -56.1 | 0 | 0 | 0 | 0 | 114.5 | N83 C86 Q87 | N83-S89 WeakPolarHBondContact CB-O 3.05Å; N83-S89 CarbonylContact O-C 3.55Å; N83-S89 VanDerWaalsContact O-CA 3.25Å; N83-S89 WeakPolarHBondContact O-CA 3.41Å; C86-S89 PolarHBondContact O-N 3Å; Q87-S89 VanDerWaalsContact C-N 3.26Å; Q87-S89 PolarHBondContact O-N 3.1Å |
| 90 | C | 89.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -129.8 | 107.5 | -176.3 | -74.4 | 0 | 0 | 0 | 0 | 111.4 | C86 S88 C102 T103 Q105 C111 | C86-C90 PolarHBondContact SG-O 2.95Å; C86-C90 VanDerWaalsContact SG-O 3.41Å; S88-C90 PolarHBondContact O-N 2.02Å; S88-C90 PolarHBondContact O-SG 2.77Å; C90-C102 CarbonylContact O-C 3.59Å; C90-C102 VanDerWaalsContact O-CA 3.24Å; C90-C102 WeakPolarHBondContact O-CA 3.36Å; C90-T103 WeakPolarHBondContact CB-O 3.39Å; C90-T103 PolarHBondContact O-N 3.33Å; C90-Q105 HydrophobicContact CB-CG 4.48Å; C90-Q105 WeakPolarHBondContact SG-CG 3.07Å; C90-Q105 PolarHBondContact SG-NE2 3.24Å; C90-Q105 VanDerWaalsContact SG-NE2 3.44Å; C90-C111 VanDerWaalsContact CA-SG 3.54Å; C90-C111 HydrophobicContact CB-CB 3.68Å; C90-C111 WeakPolarHBondContact CB-SG 3.31Å; C90-C111 WeakPolarHBondContact SG-CA 3.4Å; C90-C111 WeakPolarHBondContact SG-CB 3.04Å; C90-C111 CovalentContact SG-SG 2.03Å; C90-C111 PolarHBondContact SG-SG 2.94Å | ||
| 91 | C | 89.4 | Confident | 80.6 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 10% | 0.095 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 107.7 | 171.5 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | C80 N83 E100 | C80-C91 HydrophobicContact CB-CB 3.84Å; C80-C91 WeakPolarHBondContact CB-SG 3.22Å; C80-C91 WeakPolarHBondContact SG-CA 3.36Å; C80-C91 WeakPolarHBondContact SG-CB 3.24Å; C80-C91 CovalentContact SG-SG 2.02Å; C80-C91 PolarHBondContact SG-SG 2.94Å; N83-C91 WeakPolarHBondContact OD1-CA 3.02Å; N83-C91 WeakPolarHBondContact OD1-CB 3.36Å; N83-C91 PolarHBondContact OD1-N 3.02Å; N83-C91 PolarHBondContact OD1-O 3.45Å; C91-E100 VanDerWaalsContact SG-CB 3.55Å |
| 92 | V | 87.3 | Confident | 80.6 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.8 | -173.7 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | E100 F101 T103 C111 | V92-E100 WeakPolarHBondContact O-CA 3.39Å; V92-F101 PolarHBondContact N-O 3.44Å; V92-F101 PolarHBondContact O-N 2.03Å; V92-T103 HydrophobicContact CG2-CG2 3.2Å; V92-T103 WeakPolarHBondContact CG2-OG1 3.07Å; V92-C111 HydrophobicContact CG1-CB 3.86Å |
| 93 | R | 80.9 | Confident | 80.7 | Confident | 155 Ų | 155 | 60.4 Ų | 60.4 | 59% | 0.585 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 135.5 | 177.7 | -166.3 | 169.7 | -64.2 | 151.7 | 6.2 | 110.8 | E100 | R93-E100 HydrophobicContact CB-CG 4.05Å; R93-E100 HydrophobicContact CG-CG 4.44Å; R93-E100 IonicContact CZ-OE1 2.65Å; R93-E100 IonicContact NE-OE1 3.81Å; R93-E100 IonicContact NH2-OE1 3.19Å; R93-E100 PolarHBondContact NH2-OE1 3.34Å |
| 94 | N | 69.2 | Low | 80.6 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | trans | -80.5 | 131.8 | 167.3 | -172.6 | -17.2 | 0 | 0 | 0 | 109.1 | K96 S97 F101 W114 | N94-K96 PolarHBondContact O-N 3.34Å; N94-K96 PolarHBondContact OD1-N 2.81Å; N94-S97 PolarHBondContact O-N 3.47Å; N94-F101 HydrophobicContact CB-CD2 4.42Å; N94-F101 HydrophobicContact CB-CE2 4.48Å; N94-W114 VanDerWaalsContact CG-CE3 3.42Å; N94-W114 WeakPolarHBondContact ND2-CZ3 3.32Å; N94-W114 WeakPolarHBondContact OD1-CZ3 3.44Å | ||
| 95 | N | 60.2 | Low | 80.7 | Confident | 134 Ų | 134 | 59.5 Ų | 59.5 | 72% | 0.717 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -22.9 | -177.3 | -160.6 | -0.2 | 0 | 0 | 0 | 113.6 | ||
| 96 | K | 59.3 | Low | 80.5 | Confident | 152 Ų | 152 | 60.1 Ų | 60.1 | 66% | 0.661 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -9.7 | 179.9 | -71.8 | -169.8 | 168.1 | -172.5 | 0 | 115.9 | N94 K116 | N94-K96 PolarHBondContact O-N 3.34Å; N94-K96 PolarHBondContact OD1-N 2.81Å; K96-K116 VanDerWaalsContact CE-NZ 3.31Å |
| 97 | S | 58.1 | Low | 80.3 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | trans | -140.4 | 141 | -176.3 | 65.2 | 0 | 0 | 0 | 0 | 111 | N94 K99 | N94-S97 PolarHBondContact O-N 3.47Å; S97-K99 PolarHBondContact O-N 2.76Å | ||
| 98 | P | 66.5 | Low | 80.3 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 75% | 0.747 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -65.3 | -5.1 | 175.2 | 28.7 | -35.3 | 0 | 0 | 0 | 113.2 | ||
| 99 | K | 76.4 | Confident | 80.1 | Confident | 100 Ų | 100 | 73 Ų | 73 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | trans | -85.4 | 135.5 | -177 | -61.7 | 178.3 | -178.2 | 176.9 | 0 | 110.5 | S97 F101 | S97-K99 PolarHBondContact O-N 2.76Å; K99-F101 HydrophobicContact CB-CE2 3.73Å; K99-F101 HydrophobicContact CB-CZ 3.81Å; K99-F101 WeakPolarHBondContact O-CD2 3.25Å; K99-F101 VanDerWaalsContact O-CE2 3.3Å; K99-F101 WeakPolarHBondContact O-CE2 2.99Å | ||
| 100 | E | 85.8 | Confident | 79.9 | Confident | 51 Ų | 51 | 76.7 Ų | 76.7 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 143.9 | 176.3 | -63.6 | 173.4 | -175 | 0 | 0 | 110.4 | R79 C80 C91 V92 R93 | R79-E100 WeakPolarHBondContact CA-O 3.25Å; C80-E100 PolarHBondContact N-O 2.6Å; C91-E100 VanDerWaalsContact SG-CB 3.55Å; V92-E100 WeakPolarHBondContact O-CA 3.39Å; R93-E100 HydrophobicContact CB-CG 4.05Å; R93-E100 HydrophobicContact CG-CG 4.44Å; R93-E100 IonicContact CZ-OE1 2.65Å; R93-E100 IonicContact NE-OE1 3.81Å; R93-E100 IonicContact NH2-OE1 3.19Å; R93-E100 PolarHBondContact NH2-OE1 3.34Å |
| 101 | F | 87.4 | Confident | 79.7 | Confident | 53 Ų | 53 | 79.1 Ų | 79.1 | 23% | 0.232 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.8 | -176.4 | -58.6 | -90 | 0 | 0 | 0 | 111 | G77 Y78 R79 C80 V92 N94 K99 T103 | G77-F101 WeakPolarHBondContact O-CD1 3.39Å; Y78-F101 CarbonylContact O-C 3.5Å; Y78-F101 VanDerWaalsContact O-CA 3.22Å; Y78-F101 WeakPolarHBondContact O-CA 3.36Å; R79-F101 HydrophobicContact CG-CD1 3.82Å; R79-F101 HydrophobicContact CG-CE1 3.48Å; R79-F101 VanDerWaalsContact CG-CE1 3.48Å; R79-F101 HydrophobicContact CG-CZ 4.29Å; C80-F101 VanDerWaalsContact SG-CA 3.58Å; V92-F101 PolarHBondContact N-O 3.44Å; V92-F101 PolarHBondContact O-N 2.03Å; N94-F101 HydrophobicContact CB-CD2 4.42Å; N94-F101 HydrophobicContact CB-CE2 4.48Å; K99-F101 HydrophobicContact CB-CE2 3.73Å; K99-F101 HydrophobicContact CB-CZ 3.81Å; K99-F101 WeakPolarHBondContact O-CD2 3.25Å; K99-F101 VanDerWaalsContact O-CE2 3.3Å; K99-F101 WeakPolarHBondContact O-CE2 2.99Å; F101-T103 PolarHBondContact O-N 2.65Å |
| 102 | C | 88.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 130.1 | 173.8 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | P75 N76 G77 Y78 C80 C86 C90 | P75-C102 WeakPolarHBondContact O-CB 3.33Å; N76-C102 CarbonylContact C-O 3.5Å; N76-C102 VanDerWaalsContact CA-O 3.31Å; N76-C102 WeakPolarHBondContact CA-O 3.43Å; G77-C102 PolarHBondContact N-O 2.74Å; Y78-C102 PolarHBondContact O-N 3.26Å; C80-C102 PolarHBondContact SG-N 3.3Å; C80-C102 VanDerWaalsContact SG-N 3.44Å; C86-C102 VanDerWaalsContact CA-SG 3.5Å; C86-C102 HydrophobicContact CB-CB 3.67Å; C86-C102 WeakPolarHBondContact CB-SG 3.11Å; C86-C102 WeakPolarHBondContact SG-CA 2.95Å; C86-C102 WeakPolarHBondContact SG-CB 3.49Å; C86-C102 CovalentContact SG-SG 2.04Å; C86-C102 PolarHBondContact SG-SG 3.44Å; C90-C102 CarbonylContact O-C 3.59Å; C90-C102 VanDerWaalsContact O-CA 3.24Å; C90-C102 WeakPolarHBondContact O-CA 3.36Å |
| 103 | T | 88.2 | Confident | 78.7 | Confident | 12 Ų | 12 | 81.7 Ų | 81.7 | 7% | 0.074 | 42% | 0.417 | C | S | . | . | trans | -130.3 | 161.9 | 177.1 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | N76 S88 C90 V92 F101 V112 W114 | N76-T103 PolarHBondContact OD1-O 2.98Å; S88-T103 WeakPolarHBondContact CB-O 3.44Å; S88-T103 PolarHBondContact OG-O 3.41Å; C90-T103 WeakPolarHBondContact CB-O 3.39Å; C90-T103 PolarHBondContact O-N 3.33Å; V92-T103 HydrophobicContact CG2-CG2 3.2Å; V92-T103 WeakPolarHBondContact CG2-OG1 3.07Å; F101-T103 PolarHBondContact O-N 2.65Å; T103-V112 WeakPolarHBondContact CB-O 3.26Å; T103-V112 PolarHBondContact OG1-O 2.92Å; T103-W114 HydrophobicContact CG2-CB 4.32Å | ||
| 104 | S | 85.8 | Confident | 78.4 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 42% | 0.42 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 154.2 | 177.7 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | N76 V112 | N76-S104 PolarHBondContact OD1-N 3.18Å; S104-V112 PolarHBondContact O-N 2.57Å; S104-V112 VanDerWaalsContact O-N 3.08Å |
| 105 | Q | 86.8 | Confident | 78.9 | Confident | 65 Ų | 65 | 82 Ų | 82 | 30% | 0.304 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -91 | 153.3 | 164.9 | -76.5 | -176.3 | -5.5 | 0 | 0 | 111.3 | S88 C90 L109 Q110 | S88-Q105 VanDerWaalsContact O-CG 3.25Å; S88-Q105 WeakPolarHBondContact O-CG 3.28Å; S88-Q105 PolarHBondContact O-NE2 2.87Å; C90-Q105 HydrophobicContact CB-CG 4.48Å; C90-Q105 WeakPolarHBondContact SG-CG 3.07Å; C90-Q105 PolarHBondContact SG-NE2 3.24Å; C90-Q105 VanDerWaalsContact SG-NE2 3.44Å; Q105-L109 VanDerWaalsContact OE1-CD2 3.3Å; Q105-Q110 CarbonylContact C-O 3.52Å; Q105-Q110 WeakPolarHBondContact CA-O 3.43Å |
| 106 | T | 81.9 | Confident | 79.9 | Confident | 48 Ų | 48 | 76.3 Ų | 76.3 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 170.9 | 164.1 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | F108 L109 Q110 V112 | T106-F108 PolarHBondContact O-N 2.87Å; T106-F108 PolarHBondContact OG1-N 2.93Å; T106-L109 PolarHBondContact O-N 3.39Å; T106-Q110 HydrophobicContact CG2-CB 4.39Å; T106-Q110 PolarHBondContact N-O 3.36Å; T106-Q110 WeakPolarHBondContact OG1-CB 3.42Å; T106-Q110 PolarHBondContact OG1-N 2.93Å; T106-V112 HydrophobicContact CG2-CG2 3.41Å; T106-V112 VanDerWaalsContact CG2-CG2 3.41Å |
| 107 | I | 82 | Confident | 81.1 | Confident | 153 Ų | 153 | 72.5 Ų | 72.5 | 79% | 0.785 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.8 | 170.8 | 61.8 | 169.9 | 0 | 0 | 0 | 113.3 | L109 | I107-L109 VanDerWaalsContact C-N 3.35Š|
| 108 | F | 86.8 | Confident | 82.4 | Confident | 152 Ų | 152 | 74.9 Ų | 74.9 | 67% | 0.667 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 17.4 | 177.2 | -56.2 | -69.1 | 0 | 0 | 0 | 112.7 | T106 Q110 | T106-F108 PolarHBondContact O-N 2.87Å; T106-F108 PolarHBondContact OG1-N 2.93Å; F108-Q110 HydrophobicContact CB-CG 4.42Å; F108-Q110 PolarHBondContact O-N 3.35Å; F108-Q110 VanDerWaalsContact O-N 3.17Å |
| 109 | L | 83.1 | Confident | 83.3 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 69% | 0.686 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 60.2 | 23.2 | -179.9 | -52.3 | 174.4 | 0 | 0 | 0 | 114.1 | Q105 T106 I107 | Q105-L109 VanDerWaalsContact OE1-CD2 3.3Å; T106-L109 PolarHBondContact O-N 3.39Å; I107-L109 VanDerWaalsContact C-N 3.35Å |
| 110 | Q | 84.9 | Confident | 83.8 | Confident | 129 Ų | 129 | 69.9 Ų | 69.9 | 60% | 0.603 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 132.5 | 176.4 | -63.5 | 177.8 | -11.8 | 0 | 0 | 110.3 | Q105 T106 F108 V112 | Q105-Q110 CarbonylContact C-O 3.52Å; Q105-Q110 WeakPolarHBondContact CA-O 3.43Å; T106-Q110 HydrophobicContact CG2-CB 4.39Å; T106-Q110 PolarHBondContact N-O 3.36Å; T106-Q110 WeakPolarHBondContact OG1-CB 3.42Å; T106-Q110 PolarHBondContact OG1-N 2.93Å; F108-Q110 HydrophobicContact CB-CG 4.42Å; F108-Q110 PolarHBondContact O-N 3.35Å; F108-Q110 VanDerWaalsContact O-N 3.17Å; Q110-V112 PolarHBondContact O-N 2.84Å |
| 111 | C | 85.9 | Confident | 84 | Confident | 52 Ų | 52 | 72.9 Ų | 72.9 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -65.2 | 126.2 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | C90 V92 P113 | C90-C111 VanDerWaalsContact CA-SG 3.54Å; C90-C111 HydrophobicContact CB-CB 3.68Å; C90-C111 WeakPolarHBondContact CB-SG 3.31Å; C90-C111 WeakPolarHBondContact SG-CA 3.4Å; C90-C111 WeakPolarHBondContact SG-CB 3.04Å; C90-C111 CovalentContact SG-SG 2.03Å; C90-C111 PolarHBondContact SG-SG 2.94Å; V92-C111 HydrophobicContact CG1-CB 3.86Å; C111-P113 WeakPolarHBondContact O-CD 3.44Å |
| 112 | V | 79.6 | Confident | 84 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 22% | 0.218 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 119.3 | 175.5 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | T103 S104 T106 Q110 | T103-V112 WeakPolarHBondContact CB-O 3.26Å; T103-V112 PolarHBondContact OG1-O 2.92Å; S104-V112 PolarHBondContact O-N 2.57Å; S104-V112 VanDerWaalsContact O-N 3.08Å; T106-V112 HydrophobicContact CG2-CG2 3.41Å; T106-V112 VanDerWaalsContact CG2-CG2 3.41Å; Q110-V112 PolarHBondContact O-N 2.84Å |
| 113 | P | 75 | Confident | 83.9 | Confident | 56 Ų | 56 | 76.1 Ų | 76.1 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -61 | 143.6 | 171.4 | 25.3 | -31.9 | 0 | 0 | 0 | 109.1 | C111 R115 | C111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-R115 WeakPolarHBondContact O-CG 3.38Å; P113-R115 PolarHBondContact O-N 3.33Å |
| 114 | W | 74.9 | Confident | 83.7 | Confident | 123 Ų | 123 | 77.8 Ų | 77.8 | 47% | 0.466 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -59 | 132.4 | 173 | -179.4 | 91.9 | 0 | 0 | 0 | 109.5 | N94 T103 K116 | N94-W114 VanDerWaalsContact CG-CE3 3.42Å; N94-W114 WeakPolarHBondContact ND2-CZ3 3.32Å; N94-W114 WeakPolarHBondContact OD1-CZ3 3.44Å; T103-W114 HydrophobicContact CG2-CB 4.32Å; W114-K116 HydrophobicContact CH2-CB 4.49Å; W114-K116 HydrophobicContact CH2-CG 3.91Å; W114-K116 HydrophobicContact CZ3-CG 3.83Å |
| 115 | R | 79.4 | Confident | 83.7 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 25% | 0.249 | 42% | 0.421 | C | S | . | . | trans | -128.9 | 148.9 | 178.9 | -56.7 | -164.7 | -179.6 | 107.7 | 0.2 | 110.3 | P113 Q126 E127 C128 | P113-R115 WeakPolarHBondContact O-CG 3.38Å; P113-R115 PolarHBondContact O-N 3.33Å; R115-Q126 VanDerWaalsContact CD-O 3.25Å; R115-Q126 WeakPolarHBondContact CD-O 3.3Å; R115-Q126 PolarHBondContact NE-O 3.17Å; R115-E127 CarbonylContact C-O 3.55Å; R115-E127 WeakPolarHBondContact CA-O 3.41Å; R115-C128 VanDerWaalsContact CB-C 3.5Å; R115-C128 WeakPolarHBondContact CD-O 3.39Å | ||
| 116 | K | 80.9 | Confident | 83.4 | Confident | 14 Ų | 14 | 83.6 Ų | 83.6 | 6% | 0.061 | 44% | 0.441 | C | S | . | . | B | Isolated β-bridge | trans | -63.8 | 139.3 | -179.1 | -64.4 | 174.8 | -177.9 | 173.1 | 0 | 111.2 | K96 W114 N120 F121 E127 S129 | K96-K116 VanDerWaalsContact CE-NZ 3.31Å; W114-K116 HydrophobicContact CH2-CB 4.49Å; W114-K116 HydrophobicContact CH2-CG 3.91Å; W114-K116 HydrophobicContact CZ3-CG 3.83Å; K116-N120 HydrophobicContact CB-CB 4.06Å; K116-N120 HydrophobicContact CD-CB 4.29Å; K116-F121 VanDerWaalsContact CD-O 3.31Å; K116-F121 WeakPolarHBondContact CD-O 3.27Å; K116-F121 PolarHBondContact NZ-O 3.18Å; K116-E127 WeakPolarHBondContact CB-O 3.31Å; K116-E127 HydrophobicContact CD-CB 4.34Å; K116-E127 WeakPolarHBondContact CE-OE2 3.32Å; K116-E127 PolarHBondContact N-O 3.35Å; K116-E127 IonicContact NZ-OE2 3.54Å; K116-E127 PolarHBondContact NZ-OE2 2.72Å; K116-S129 WeakPolarHBondContact O-CB 3.29Å; K116-S129 PolarHBondContact O-N 2.85Å |
| 117 | P | 84.3 | Confident | 83.4 | Confident | 71 Ų | 71 | 82.7 Ų | 82.7 | 46% | 0.461 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 163.3 | 173.1 | 22.7 | -23.3 | 0 | 0 | 0 | 111.9 | N120 | P117-N120 VanDerWaalsContact CD-ND2 3.29Å; P117-N120 WeakPolarHBondContact CD-ND2 3.14Å; P117-N120 VanDerWaalsContact CG-ND2 3.27Å; P117-N120 WeakPolarHBondContact CG-ND2 3.43Å; P117-N120 WeakPolarHBondContact O-CB 3.49Å; P117-N120 PolarHBondContact O-N 3.15Å; P117-N120 PolarHBondContact O-ND2 3.19Å |
| 118 | N | 86.8 | Confident | 83.4 | Confident | 84 Ų | 84 | 75.4 Ų | 75.4 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 145.7 | 179.2 | -59.5 | -35.1 | 0 | 0 | 0 | 111.8 | N120 C144 | N118-N120 VanDerWaalsContact C-N 3.32Å; N118-N120 PolarHBondContact O-N 3.03Å; N118-C144 CarbonylContact C-O 3.47Å; N118-C144 WeakPolarHBondContact CA-O 3.46Å |
| 119 | G | 85.7 | Confident | 83.3 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | -19.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R143 C144 | G119-R143 PolarHBondContact O-NH1 3.33Å; G119-C144 PolarHBondContact N-O 2.71Å |
| 120 | N | 87.1 | Confident | 83.3 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -73.2 | 148.5 | 177.6 | -78.3 | -73.2 | 0 | 0 | 0 | 112.8 | K116 P117 N118 R143 C144 | K116-N120 HydrophobicContact CB-CB 4.06Å; K116-N120 HydrophobicContact CD-CB 4.29Å; P117-N120 VanDerWaalsContact CD-ND2 3.29Å; P117-N120 WeakPolarHBondContact CD-ND2 3.14Å; P117-N120 VanDerWaalsContact CG-ND2 3.27Å; P117-N120 WeakPolarHBondContact CG-ND2 3.43Å; P117-N120 WeakPolarHBondContact O-CB 3.49Å; P117-N120 PolarHBondContact O-N 3.15Å; P117-N120 PolarHBondContact O-ND2 3.19Å; N118-N120 VanDerWaalsContact C-N 3.32Å; N118-N120 PolarHBondContact O-N 3.03Å; N120-R143 CarbonylContact O-C 3.47Å; N120-R143 VanDerWaalsContact O-CA 3.24Å; N120-R143 WeakPolarHBondContact O-CA 3.03Å; N120-C144 PolarHBondContact O-N 2.71Å |
| 121 | F | 89.3 | Confident | 83.3 | Confident | 114 Ų | 114 | 63.8 Ų | 63.8 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -63.3 | 139.1 | 172.3 | -57.4 | -64.6 | 0 | 0 | 0 | 111.7 | K116 P141 F142 R143 | K116-F121 VanDerWaalsContact CD-O 3.31Å; K116-F121 WeakPolarHBondContact CD-O 3.27Å; K116-F121 PolarHBondContact NZ-O 3.18Å; F121-P141 HydrophobicContact CD1-CB 3.82Å; F121-P141 HydrophobicContact CD1-CG 3.91Å; F121-P141 HydrophobicContact CE1-CB 3.77Å; F121-P141 HydrophobicContact CE1-CG 3.35Å; F121-P141 HydrophobicContact CZ-CG 4.38Å; F121-F142 WeakPolarHBondContact CA-O 3.26Å; F121-R143 HydrophobicContact CD1-CG 4.1Å; F121-R143 HydrophobicContact CE1-CG 4.44Å; F121-R143 VanDerWaalsContact CZ-NH2 3.32Å |
| 122 | C | 86.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 5% | 0.054 | 34% | 0.335 | C | S | . | . | trans | -141 | 155.6 | -179.4 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | C128 C133 F142 R143 C144 | C122-C128 WeakPolarHBondContact CB-SG 3.32Å; C122-C128 VanDerWaalsContact SG-SG 3.64Å; C122-C133 HydrophobicContact CB-CB 3.87Å; C122-C133 WeakPolarHBondContact CB-SG 3.46Å; C122-C133 PolarHBondContact O-SG 3.09Å; C122-C133 WeakPolarHBondContact SG-CA 3.47Å; C122-C133 WeakPolarHBondContact SG-CB 3.46Å; C122-C133 CovalentContact SG-SG 2.02Å; C122-C133 PolarHBondContact SG-SG 3.35Å; C122-F142 PolarHBondContact N-O 3.19Å; C122-F142 WeakPolarHBondContact O-CB 3.41Å; C122-R143 VanDerWaalsContact SG-CA 3.59Å; C122-C144 PolarHBondContact SG-N 2.9Å | ||
| 123 | S | 87.3 | Confident | 83.7 | Confident | 114 Ų | 114 | 60 Ų | 60 | 80% | 0.797 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -113.9 | -21.5 | 171.5 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | E127 | S123-E127 WeakPolarHBondContact CA-OE1 3.03Å; S123-E127 WeakPolarHBondContact CB-OE1 3.38Å; S123-E127 PolarHBondContact N-OE1 3.47Å |
| 124 | S | 84.9 | Confident | 84.3 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -134.9 | 148 | 178.5 | 162.4 | 0 | 0 | 0 | 0 | 111.8 | Q126 E127 | S124-Q126 PolarHBondContact O-N 3Å; S124-Q126 PolarHBondContact OG-N 3.35Å; S124-E127 PolarHBondContact N-OE1 2.91Å; S124-E127 WeakPolarHBondContact O-CB 3.44Å; S124-E127 PolarHBondContact O-N 3.49Å; S124-E127 VanDerWaalsContact O-N 3.14Å |
| 125 | H | 84.6 | Confident | 84.8 | Confident | 92 Ų | 92 | 56.3 Ų | 56.3 | 43% | 0.426 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -52.2 | -39 | 172.3 | -71.7 | -83 | 0 | 0 | 0 | 112.5 | E127 C128 Q131 C133 | H125-E127 PolarHBondContact O-N 2.95Å; H125-E127 VanDerWaalsContact O-N 3.17Å; H125-C128 PolarHBondContact O-N 2.94Å; H125-C128 VanDerWaalsContact O-N 3.08Å; H125-Q131 PolarHBondContact ND1-O 3.48Å; H125-Q131 CarbonylContact O-C 3.53Å; H125-Q131 VanDerWaalsContact O-CA 3.24Å; H125-Q131 WeakPolarHBondContact O-CA 3.34Å; H125-C133 PolarHBondContact CE1-O 3.28Å; H125-C133 PolarHBondContact ND1-N 3.36Å; H125-C133 VanDerWaalsContact ND1-N 3.18Å |
| 126 | Q | 80.2 | Confident | 84.7 | Confident | 155 Ų | 155 | 58.3 Ų | 58.3 | 72% | 0.724 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -67.3 | -18.7 | -175.5 | -60.8 | 178 | 18.1 | 0 | 0 | 113.2 | R115 S124 C128 | R115-Q126 VanDerWaalsContact CD-O 3.25Å; R115-Q126 WeakPolarHBondContact CD-O 3.3Å; R115-Q126 PolarHBondContact NE-O 3.17Å; S124-Q126 PolarHBondContact O-N 3Å; S124-Q126 PolarHBondContact OG-N 3.35Å; Q126-C128 VanDerWaalsContact C-N 3.28Å |
| 127 | E | 81.4 | Confident | 84.6 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -74.4 | -19.6 | 176.1 | -64.3 | 176.8 | -126.3 | 0 | 0 | 112.8 | R115 K116 S123 S124 H125 | R115-E127 CarbonylContact C-O 3.55Å; R115-E127 WeakPolarHBondContact CA-O 3.41Å; K116-E127 WeakPolarHBondContact CB-O 3.31Å; K116-E127 HydrophobicContact CD-CB 4.34Å; K116-E127 WeakPolarHBondContact CE-OE2 3.32Å; K116-E127 PolarHBondContact N-O 3.35Å; K116-E127 IonicContact NZ-OE2 3.54Å; K116-E127 PolarHBondContact NZ-OE2 2.72Å; S123-E127 WeakPolarHBondContact CA-OE1 3.03Å; S123-E127 WeakPolarHBondContact CB-OE1 3.38Å; S123-E127 PolarHBondContact N-OE1 3.47Å; S124-E127 PolarHBondContact N-OE1 2.91Å; S124-E127 WeakPolarHBondContact O-CB 3.44Å; S124-E127 PolarHBondContact O-N 3.49Å; S124-E127 VanDerWaalsContact O-N 3.14Å; H125-E127 PolarHBondContact O-N 2.95Å; H125-E127 VanDerWaalsContact O-N 3.17Å |
| 128 | C | 83.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -97.8 | 139.1 | -173 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | R115 C122 H125 Q126 S130 Q131 C132 C144 | R115-C128 VanDerWaalsContact CB-C 3.5Å; R115-C128 WeakPolarHBondContact CD-O 3.39Å; C122-C128 WeakPolarHBondContact CB-SG 3.32Å; C122-C128 VanDerWaalsContact SG-SG 3.64Å; H125-C128 PolarHBondContact O-N 2.94Å; H125-C128 VanDerWaalsContact O-N 3.08Å; Q126-C128 VanDerWaalsContact C-N 3.28Å; C128-S130 PolarHBondContact O-N 3.41Å; C128-Q131 WeakPolarHBondContact O-CA 3.44Å; C128-Q131 PolarHBondContact O-N 3.13Å; C128-C132 PolarHBondContact SG-O 2.72Å; C128-C132 VanDerWaalsContact SG-O 3.36Å; C128-C144 WeakPolarHBondContact CA-SG 3.02Å; C128-C144 HydrophobicContact CB-CB 3.61Å; C128-C144 WeakPolarHBondContact CB-SG 2.94Å; C128-C144 WeakPolarHBondContact SG-CA 3.44Å; C128-C144 WeakPolarHBondContact SG-CB 3.48Å; C128-C144 CovalentContact SG-SG 2.04Å; C128-C144 PolarHBondContact SG-SG 2.76Å |
| 129 | S | 83.4 | Confident | 84.1 | Confident | 78 Ų | 78 | 76.8 Ų | 76.8 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -39.2 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | K116 Q131 | K116-S129 WeakPolarHBondContact O-CB 3.29Å; K116-S129 PolarHBondContact O-N 2.85Å; S129-Q131 PolarHBondContact O-N 2.83Å |
| 130 | S | 82.6 | Confident | 83.9 | Confident | 18 Ų | 18 | 76.3 Ų | 76.3 | 13% | 0.126 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -5.6 | 171.4 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | C128 C132 T145 R147 | C128-S130 PolarHBondContact O-N 3.41Å; S130-C132 PolarHBondContact O-N 2.74Å; S130-C132 VanDerWaalsContact O-N 3.14Å; S130-C132 PolarHBondContact OG-N 3.06Å; S130-C132 PolarHBondContact OG-O 2.03Å; S130-T145 WeakPolarHBondContact CB-O 3.29Å; S130-T145 PolarHBondContact OG-O 3.26Å; S130-R147 WeakPolarHBondContact O-CD 3.45Å; S130-R147 VanDerWaalsContact O-CG 3.29Å; S130-R147 WeakPolarHBondContact O-CG 3.21Å; S130-R147 PolarHBondContact O-NE 2.76Å |
| 131 | Q | 84.8 | Confident | 83.9 | Confident | 72 Ų | 72 | 76 Ų | 76 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 50.7 | 31.4 | -168.1 | -67.1 | -178.7 | -15.6 | 0 | 0 | 113.2 | H125 C128 S129 R147 | H125-Q131 PolarHBondContact ND1-O 3.48Å; H125-Q131 CarbonylContact O-C 3.53Å; H125-Q131 VanDerWaalsContact O-CA 3.24Å; H125-Q131 WeakPolarHBondContact O-CA 3.34Å; C128-Q131 WeakPolarHBondContact O-CA 3.44Å; C128-Q131 PolarHBondContact O-N 3.13Å; S129-Q131 PolarHBondContact O-N 2.83Å; Q131-R147 PolarHBondContact O-NH2 2.85Å; Q131-R147 VanDerWaalsContact OE1-NH2 3.17Å |
| 132 | C | 86.6 | Confident | 83.9 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | trans | -132.2 | 112.3 | -177.6 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | C128 S130 C144 T145 R147 C154 | C128-C132 PolarHBondContact SG-O 2.72Å; C128-C132 VanDerWaalsContact SG-O 3.36Å; S130-C132 PolarHBondContact O-N 2.74Å; S130-C132 VanDerWaalsContact O-N 3.14Å; S130-C132 PolarHBondContact OG-N 3.06Å; S130-C132 PolarHBondContact OG-O 2.03Å; C132-C144 VanDerWaalsContact O-CA 3.28Å; C132-C144 WeakPolarHBondContact O-CA 3.31Å; C132-T145 WeakPolarHBondContact CB-O 3.29Å; C132-T145 PolarHBondContact O-N 3.08Å; C132-T145 VanDerWaalsContact O-N 3.08Å; C132-T145 PolarHBondContact SG-OG1 2.79Å; C132-R147 HydrophobicContact CB-CG 4.23Å; C132-C154 WeakPolarHBondContact CA-SG 3.39Å; C132-C154 HydrophobicContact CB-CB 3.62Å; C132-C154 WeakPolarHBondContact CB-SG 3.11Å; C132-C154 WeakPolarHBondContact SG-CB 3.49Å; C132-C154 CovalentContact SG-SG 2.02Å; C132-C154 PolarHBondContact SG-SG 2.99Å | ||
| 133 | C | 88.1 | Confident | 84.1 | Confident | 7 Ų | 7 | 79.5 Ų | 79.5 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 108.8 | 177 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | C122 H125 | C122-C133 HydrophobicContact CB-CB 3.87Å; C122-C133 WeakPolarHBondContact CB-SG 3.46Å; C122-C133 PolarHBondContact O-SG 3.09Å; C122-C133 WeakPolarHBondContact SG-CA 3.47Å; C122-C133 WeakPolarHBondContact SG-CB 3.46Å; C122-C133 CovalentContact SG-SG 2.02Å; C122-C133 PolarHBondContact SG-SG 3.35Å; H125-C133 PolarHBondContact CE1-O 3.28Å; H125-C133 PolarHBondContact ND1-N 3.36Å; H125-C133 VanDerWaalsContact ND1-N 3.18Å |
| 134 | I | 87.4 | Confident | 84.2 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 162.1 | -174.4 | 62.9 | 175.3 | 0 | 0 | 0 | 111.4 | L136 F142 R143 T145 Q153 | I134-L136 HydrophobicContact CD1-CD2 4.3Å; I134-F142 WeakPolarHBondContact O-CA 3.17Å; I134-R143 PolarHBondContact N-O 2.67Å; I134-R143 VanDerWaalsContact N-O 3.08Å; I134-R143 PolarHBondContact O-N 2.83Å; I134-T145 HydrophobicContact CD1-CG2 3.86Å; I134-T145 WeakPolarHBondContact CD1-OG1 3.44Å; I134-T145 HydrophobicContact CG1-CG2 3.54Å; I134-T145 WeakPolarHBondContact CG1-OG1 3.47Å; I134-Q153 HydrophobicContact CD1-CB 3.64Å; I134-Q153 HydrophobicContact CD1-CG 4.35Å |
| 135 | Q | 86.6 | Confident | 84.3 | Confident | 79 Ų | 79 | 72.8 Ų | 72.8 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | trans | -97.2 | 125.1 | 173.4 | -166.2 | -177.3 | 27.6 | 0 | 0 | 108.9 | R137 E138 S140 F142 | Q135-R137 VanDerWaalsContact CD-O 3.24Å; Q135-R137 WeakPolarHBondContact CG-O 3.01Å; Q135-R137 PolarHBondContact NE2-O 3.37Å; Q135-E138 VanDerWaalsContact NE2-C 3.35Å; Q135-E138 PolarHBondContact NE2-O 2.95Å; Q135-S140 WeakPolarHBondContact CG-O 3.47Å; Q135-S140 WeakPolarHBondContact CG-OG 3.5Å; Q135-S140 PolarHBondContact NE2-O 2.73Å; Q135-F142 HydrophobicContact CB-CD1 4.1Å; Q135-F142 HydrophobicContact CB-CE1 3.94Å; Q135-F142 HydrophobicContact CB-CZ 4.21Å | ||
| 136 | L | 76.2 | Confident | 84.2 | Confident | 109 Ų | 109 | 71.4 Ų | 71.4 | 57% | 0.571 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -85.2 | -21.8 | -176.4 | -69.2 | 172.6 | 0 | 0 | 0 | 113.2 | I134 S140 T145 | I134-L136 HydrophobicContact CD1-CD2 4.3Å; L136-S140 PolarHBondContact N-OG 3.43Å; L136-T145 HydrophobicContact CD2-CG2 4.21Å |
| 137 | R | 79.1 | Confident | 84.1 | Confident | 202 Ų | 202 | 69 Ų | 69 | 76% | 0.762 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -147.5 | 149.1 | 178.1 | -59.8 | -174.1 | 178.6 | -156.1 | -1.7 | 109.2 | Q135 D139 S140 | Q135-R137 VanDerWaalsContact CD-O 3.24Å; Q135-R137 WeakPolarHBondContact CG-O 3.01Å; Q135-R137 PolarHBondContact NE2-O 3.37Å; R137-D139 PolarHBondContact O-N 2.02Å; R137-S140 PolarHBondContact N-OG 3.37Å; R137-S140 WeakPolarHBondContact O-CB 3.5Å; R137-S140 PolarHBondContact O-N 3.35Å; R137-S140 PolarHBondContact O-OG 2.6Å |
| 138 | E | 77.9 | Confident | 83.5 | Confident | 194 Ų | 194 | 73 Ų | 73 | 91% | 0.907 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -28.9 | -176 | -74.6 | 175.2 | 154.4 | 0 | 0 | 115.1 | Q135 | Q135-E138 VanDerWaalsContact NE2-C 3.35Å; Q135-E138 PolarHBondContact NE2-O 2.95Å |
| 139 | D | 81.8 | Confident | 82.3 | Confident | 160 Ų | 160 | 75.9 Ų | 75.9 | 86% | 0.856 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 12.7 | 179 | -163.5 | 29.7 | 0 | 0 | 0 | 114 | R137 | R137-D139 PolarHBondContact O-N 2.02Š|
| 140 | S | 82.1 | Confident | 81 | Confident | 28 Ų | 28 | 80.7 Ų | 80.7 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -91.9 | 149.8 | 177.8 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | Q135 L136 R137 | Q135-S140 WeakPolarHBondContact CG-O 3.47Å; Q135-S140 WeakPolarHBondContact CG-OG 3.5Å; Q135-S140 PolarHBondContact NE2-O 2.73Å; L136-S140 PolarHBondContact N-OG 3.43Å; R137-S140 PolarHBondContact N-OG 3.37Å; R137-S140 WeakPolarHBondContact O-CB 3.5Å; R137-S140 PolarHBondContact O-N 3.35Å; R137-S140 PolarHBondContact O-OG 2.6Å |
| 141 | P | 88.4 | Confident | 79.7 | Confident | 68 Ų | 68 | 87.1 Ų | 87.1 | 44% | 0.442 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -70 | 150 | 169.2 | 27.8 | -36 | 0 | 0 | 0 | 111.7 | F121 | F121-P141 HydrophobicContact CD1-CB 3.82Å; F121-P141 HydrophobicContact CD1-CG 3.91Å; F121-P141 HydrophobicContact CE1-CB 3.77Å; F121-P141 HydrophobicContact CE1-CG 3.35Å; F121-P141 HydrophobicContact CZ-CG 4.38Å |
| 142 | F | 88.9 | Confident | 78.5 | Confident | 105 Ų | 105 | 86.2 Ų | 86.2 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 134 | 174.7 | -73.7 | -92.1 | 0 | 0 | 0 | 111.9 | F121 C122 I134 Q135 | F121-F142 WeakPolarHBondContact CA-O 3.26Å; C122-F142 PolarHBondContact N-O 3.19Å; C122-F142 WeakPolarHBondContact O-CB 3.41Å; I134-F142 WeakPolarHBondContact O-CA 3.17Å; Q135-F142 HydrophobicContact CB-CD1 4.1Å; Q135-F142 HydrophobicContact CB-CE1 3.94Å; Q135-F142 HydrophobicContact CB-CZ 4.21Å |
| 143 | R | 89.8 | Confident | 77.5 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 34% | 0.336 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 152.4 | -179.5 | -67.6 | 176.6 | -175.7 | -91.8 | 6.1 | 111.9 | G119 N120 F121 C122 I134 T145 | G119-R143 PolarHBondContact O-NH1 3.33Å; N120-R143 CarbonylContact O-C 3.47Å; N120-R143 VanDerWaalsContact O-CA 3.24Å; N120-R143 WeakPolarHBondContact O-CA 3.03Å; F121-R143 HydrophobicContact CD1-CG 4.1Å; F121-R143 HydrophobicContact CE1-CG 4.44Å; F121-R143 VanDerWaalsContact CZ-NH2 3.32Å; C122-R143 VanDerWaalsContact SG-CA 3.59Å; I134-R143 PolarHBondContact N-O 2.67Å; I134-R143 VanDerWaalsContact N-O 3.08Å; I134-R143 PolarHBondContact O-N 2.83Å; R143-T145 PolarHBondContact O-N 2.81Å |
| 144 | C | 88.6 | Confident | 76.8 | Confident | 2 Ų | 2 | 92.9 Ų | 92.9 | 1% | 0.014 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 124.6 | 171 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | N118 G119 N120 C122 C128 C132 | N118-C144 CarbonylContact C-O 3.47Å; N118-C144 WeakPolarHBondContact CA-O 3.46Å; G119-C144 PolarHBondContact N-O 2.71Å; N120-C144 PolarHBondContact O-N 2.71Å; C122-C144 PolarHBondContact SG-N 2.9Å; C128-C144 WeakPolarHBondContact CA-SG 3.02Å; C128-C144 HydrophobicContact CB-CB 3.61Å; C128-C144 WeakPolarHBondContact CB-SG 2.94Å; C128-C144 WeakPolarHBondContact SG-CA 3.44Å; C128-C144 WeakPolarHBondContact SG-CB 3.48Å; C128-C144 CovalentContact SG-SG 2.04Å; C128-C144 PolarHBondContact SG-SG 2.76Å; C132-C144 VanDerWaalsContact O-CA 3.28Å; C132-C144 WeakPolarHBondContact O-CA 3.31Å |
| 145 | T | 87.3 | Confident | 75.5 | Confident | 17 Ų | 17 | 98.5 Ų | 98.5 | 10% | 0.104 | 51% | 0.512 | C | S | . | . | trans | -122.9 | 149.4 | 179.8 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | S130 C132 I134 L136 R143 | S130-T145 WeakPolarHBondContact CB-O 3.29Å; S130-T145 PolarHBondContact OG-O 3.26Å; C132-T145 WeakPolarHBondContact CB-O 3.29Å; C132-T145 PolarHBondContact O-N 3.08Å; C132-T145 VanDerWaalsContact O-N 3.08Å; C132-T145 PolarHBondContact SG-OG1 2.79Å; I134-T145 HydrophobicContact CD1-CG2 3.86Å; I134-T145 WeakPolarHBondContact CD1-OG1 3.44Å; I134-T145 HydrophobicContact CG1-CG2 3.54Å; I134-T145 WeakPolarHBondContact CG1-OG1 3.47Å; L136-T145 HydrophobicContact CD2-CG2 4.21Å; R143-T145 PolarHBondContact O-N 2.81Å | ||
| 146 | P | 83.8 | Confident | 74.1 | Confident | 64 Ų | 64 | 99.3 Ų | 99.3 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | trans | -67.7 | 146 | 177.8 | 28.6 | -34.4 | 0 | 0 | 0 | 111.4 | T148 | P146-T148 PolarHBondContact O-N 3.17Š| ||
| 147 | R | 78.2 | Confident | 73.1 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 39% | 0.392 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -79.9 | 49.3 | 169.7 | -74.1 | -177.9 | 172.7 | 163.4 | 1 | 111.4 | S130 Q131 C132 C154 | S130-R147 WeakPolarHBondContact O-CD 3.45Å; S130-R147 VanDerWaalsContact O-CG 3.29Å; S130-R147 WeakPolarHBondContact O-CG 3.21Å; S130-R147 PolarHBondContact O-NE 2.76Å; Q131-R147 PolarHBondContact O-NH2 2.85Å; Q131-R147 VanDerWaalsContact OE1-NH2 3.17Å; C132-R147 HydrophobicContact CB-CG 4.23Å; R147-C154 HydrophobicContact CG-CB 4.29Å |
| 148 | T | 69 | Low | 72.8 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 70% | 0.699 | 55% | 0.548 | S | S | * | . | trans | -131.3 | 130.7 | -177.3 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | P146 | P146-T148 PolarHBondContact O-N 3.17Š| ||
| 149 | G | 58.4 | Low | 72.5 | Confident | 60 Ų | 60 | 96 Ų | 96 | 62% | 0.619 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 138 | 164.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L151 | G149-L151 PolarHBondContact O-N 2.76Š|
| 150 | I | 55.9 | Low | 72 | Confident | 180 Ų | 180 | 92.4 Ų | 92.4 | 92% | 0.923 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -69.6 | -23.4 | 179.2 | -62.2 | 166.7 | 0 | 0 | 0 | 111.5 | ||
| 151 | L | 54.8 | Low | 71.4 | Confident | 152 Ų | 152 | 96.2 Ų | 96.2 | 80% | 0.796 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -109.5 | 73.2 | 174.1 | -66.4 | 167.1 | 0 | 0 | 0 | 109 | G149 Q153 | G149-L151 PolarHBondContact O-N 2.76Å; L151-Q153 PolarHBondContact O-N 3.05Å |
| 152 | A | 58.8 | Low | 70.3 | Confident | 54 Ų | 54 | 98 Ų | 98 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | trans | -65.1 | 98.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | C154 | A152-C154 PolarHBondContact O-N 3.15Š| ||
| 153 | Q | 65.8 | Low | 69.1 | Low | 134 Ų | 134 | 97.5 Ų | 97.5 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -71.6 | -10.6 | 175.7 | -72.2 | 164.2 | -7.8 | 0 | 0 | 112.7 | I134 L151 | I134-Q153 HydrophobicContact CD1-CB 3.64Å; I134-Q153 HydrophobicContact CD1-CG 4.35Å; L151-Q153 PolarHBondContact O-N 3.05Å |
| 154 | C | 73.9 | Confident | 67.6 | Low | 13 Ų | 13 | 98.1 Ų | 98.1 | 9% | 0.088 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -126.7 | 108.5 | 168.6 | -76 | 0 | 0 | 0 | 0 | 109.1 | C132 R147 A152 | C132-C154 WeakPolarHBondContact CA-SG 3.39Å; C132-C154 HydrophobicContact CB-CB 3.62Å; C132-C154 WeakPolarHBondContact CB-SG 3.11Å; C132-C154 WeakPolarHBondContact SG-CB 3.49Å; C132-C154 CovalentContact SG-SG 2.02Å; C132-C154 PolarHBondContact SG-SG 2.99Å; R147-C154 HydrophobicContact CG-CB 4.29Å; A152-C154 PolarHBondContact O-N 3.15Å |
| 155 | L | 59.9 | Low | 66 | Low | 140 Ų | 140 | 105.5 Ų | 105.5 | 73% | 0.733 | 60% | 0.596 | S | S | * | * | trans | -73.6 | 139.1 | 169.2 | -75.8 | 152.3 | 0 | 0 | 0 | 109.3 | L157 | L155-L157 PolarHBondContact O-N 3.26Š| ||
| 156 | P | 57 | Low | 64.2 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 62% | 0.623 | 64% | 0.637 | S | S | * | * | trans | -65 | 119.6 | 163 | 27.2 | -28.7 | 0 | 0 | 0 | 107.9 | ||||
| 157 | L | 55.3 | Low | 62.4 | Low | 244 Ų | 244 | 117.4 Ų | 117.4 | 100% | 1.277 | 66% | 0.657 | S | S | * | * | trans | -74 | 0 | 163.8 | -74.7 | 167.6 | 0 | 0 | 0 | 109.4 | L155 | L155-L157 PolarHBondContact O-N 3.26Š|
Retrieved 157 of 157 residues in 29.6 ms
(Link to these results)