| 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 | 52.8 | Low | 48.1 | Very low | 250 Ų | 250 | 126.2 Ų | 126.2 | 100% | 1.232 | 89% | 0.894 | S | S | * | * | 0 | 127.9 | 0 | -69.8 | 178 | 174 | 0 | 0 | 106.6 | |||||
| 2 | A | 50.8 | Low | 47.4 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 89% | 0.886 | S | S | * | * | trans | -80.8 | 141.5 | -160.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3 | E | 49.6 | Very low | 47.3 | Very low | 195 Ų | 195 | 120.8 Ų | 120.8 | 91% | 0.911 | 88% | 0.884 | S | S | * | * | trans | 30.8 | 125.4 | 132 | -53.3 | -95 | 88.1 | 0 | 0 | 118.9 | ||||
| 4 | G | 45.2 | Very low | 46.6 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 92% | 0.918 | 88% | 0.881 | S | S | * | * | trans | 176.5 | 86.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 5 | G | 48 | Very low | 46.6 | Very low | 71 Ų | 71 | 114.3 Ų | 114.3 | 73% | 0.732 | 87% | 0.866 | S | S | * | * | trans | -156.6 | 173.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 6 | P | 57.9 | Low | 46.8 | Very low | 135 Ų | 135 | 118.9 Ų | 118.9 | 88% | 0.877 | 87% | 0.867 | S | S | * | * | cis | -126.9 | 176.2 | -22.9 | 37.6 | -21.1 | 0 | 0 | 0 | 113 | ||||
| 7 | G | 48.6 | Very low | 47.2 | Very low | 79 Ų | 79 | 120.1 Ų | 120.1 | 81% | 0.814 | 86% | 0.859 | S | S | * | * | trans | 74 | 100.6 | 140.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 8 | K | 49.3 | Very low | 47.5 | Very low | 222 Ų | 222 | 120.1 Ų | 120.1 | 97% | 0.965 | 86% | 0.855 | S | S | * | * | trans | -122 | 104.3 | 154.8 | -103.1 | 166.3 | 65.5 | -178.2 | 0 | 108.9 | ||||
| 9 | G | 45.6 | Very low | 47.7 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | -134.8 | 133.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | G | 41.6 | Very low | 47.5 | Very low | 87 Ų | 87 | 121 Ų | 121 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | 91.8 | 83.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 11 | G | 39.3 | Very low | 47.7 | Very low | 84 Ų | 84 | 118.9 Ų | 118.9 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | -116.2 | 130.4 | 139.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 12 | G | 39.4 | Very low | 48 | Very low | 78 Ų | 78 | 111.2 Ų | 111.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | 111.1 | 83.4 | 25.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 13 | A | 46.8 | Very low | 48.3 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 45.4 | 98 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 14 | G | 37.8 | Very low | 48.6 | Very low | 81 Ų | 81 | 112.3 Ų | 112.3 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -98.7 | 89.9 | 149 | 0 | 0 | 0 | 0 | 0 | 108.5 | E16 | G14-E16 PolarHBondContact O-N 3.17Š| ||
| 15 | G | 45.6 | Very low | 49 | Very low | 64 Ų | 64 | 115 Ų | 115 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | trans | -68.3 | 118.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | D17 | G15-D17 PolarHBondContact O-N 3.35Š| ||
| 16 | E | 50.3 | Low | 49.6 | Very low | 188 Ų | 188 | 118.4 Ų | 118.4 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -82.3 | 93 | 162.1 | 48.1 | -172.6 | 90 | 0 | 0 | 107.5 | G14 P18 | G14-E16 PolarHBondContact O-N 3.17Å; E16-P18 VanDerWaalsContact O-CD 3.27Å; E16-P18 WeakPolarHBondContact O-CD 3.27Å | ||
| 17 | D | 54.2 | Low | 49.6 | Very low | 139 Ų | 139 | 121.9 Ų | 121.9 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -61.8 | 118 | 174.8 | -71 | -77.1 | 0 | 0 | 0 | 111.2 | G15 A19 | G15-D17 PolarHBondContact O-N 3.35Å; D17-A19 PolarHBondContact O-N 3.38Å; D17-A19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | P | 51.7 | Low | 49.9 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 31.6 | 175.7 | 35.9 | -35.3 | 0 | 0 | 0 | 112.5 | E16 | E16-P18 VanDerWaalsContact O-CD 3.27Å; E16-P18 WeakPolarHBondContact O-CD 3.27Å |
| 19 | A | 51.3 | Low | 50.3 | Low | 67 Ų | 67 | 119.9 Ų | 119.9 | 55% | 0.554 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 2.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D17 | D17-A19 PolarHBondContact O-N 3.38Å; D17-A19 VanDerWaalsContact O-N 3.12Å |
| 20 | K | 43.3 | Very low | 51 | Low | 191 Ų | 191 | 119.7 Ų | 119.7 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -98.4 | 15.7 | -176.8 | -151.5 | 176.1 | 179.9 | 177.2 | 0 | 114.8 | ||
| 21 | S | 52.8 | Low | 52.7 | Low | 77 Ų | 77 | 120.3 Ų | 120.3 | 54% | 0.538 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -108.8 | -22.7 | -178.3 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | E25 | S21-E25 WeakPolarHBondContact O-CB 3.48Š|
| 22 | T | 59.8 | Low | 55.1 | Low | 88 Ų | 88 | 120 Ų | 120 | 54% | 0.54 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -81.7 | -44 | -169.6 | 39.3 | 0 | 0 | 0 | 0 | 113.7 | Q24 E25 E26 | T22-Q24 PolarHBondContact O-N 3.12Å; T22-E25 PolarHBondContact O-N 3.11Å; T22-E26 PolarHBondContact O-N 3.34Å; T22-E26 VanDerWaalsContact O-N 3.1Å |
| 23 | E | 56.7 | Low | 57.6 | Low | 160 Ų | 160 | 118.7 Ų | 118.7 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.8 | -30.5 | -176.2 | -60 | -171.2 | 122.7 | 0 | 0 | 113.3 | R27 | E23-R27 PolarHBondContact O-N 3.32Å |
| 24 | Q | 54.8 | Low | 59.9 | Low | 155 Ų | 155 | 116.4 Ų | 116.4 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75 | -29.7 | 178.3 | -161.9 | 168.2 | 10.8 | 0 | 0 | 111.9 | T22 A28 | T22-Q24 PolarHBondContact O-N 3.12Å; Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.1Å |
| 25 | E | 54.9 | Low | 62.6 | Low | 145 Ų | 145 | 113 Ų | 113 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.8 | -34.7 | 174.5 | -172.4 | 152.1 | 91.8 | 0 | 0 | 112.1 | S21 T22 A28 R29 | S21-E25 WeakPolarHBondContact O-CB 3.48Å; T22-E25 PolarHBondContact O-N 3.11Å; E25-A28 PolarHBondContact O-N 3.28Å; E25-R29 PolarHBondContact O-N 3.39Å; E25-R29 VanDerWaalsContact O-N 3.11Å |
| 26 | E | 59 | Low | 65 | Low | 143 Ų | 143 | 111.5 Ų | 111.5 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.7 | -41.3 | 177.3 | -155.8 | 174.5 | 148.2 | 0 | 0 | 112.3 | T22 A28 R29 A30 | T22-E26 PolarHBondContact O-N 3.34Å; T22-E26 VanDerWaalsContact O-N 3.1Å; E26-A28 VanDerWaalsContact C-N 3.25Å; E26-A28 PolarHBondContact O-N 3.46Å; E26-R29 PolarHBondContact O-N 3.19Å; E26-A30 PolarHBondContact O-N 3.44Å |
| 27 | R | 58.2 | Low | 67.2 | Low | 208 Ų | 208 | 102.6 Ų | 102.6 | 79% | 0.785 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.4 | -27.1 | 172.3 | -165.5 | 172.8 | -175.1 | -175.9 | 2.5 | 112.8 | E23 A30 | E23-R27 PolarHBondContact O-N 3.32Å; R27-A30 PolarHBondContact O-N 3.28Å |
| 28 | A | 55.2 | Low | 69.3 | Low | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.3 | -24.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q24 E25 E26 A30 | Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.1Å; E25-A28 PolarHBondContact O-N 3.28Å; E26-A28 VanDerWaalsContact C-N 3.25Å; E26-A28 PolarHBondContact O-N 3.46Å; A28-A30 VanDerWaalsContact C-N 3.33Å |
| 29 | R | 58.5 | Low | 71.4 | Confident | 205 Ų | 205 | 94.7 Ų | 94.7 | 77% | 0.774 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -74.9 | -21.7 | 169.9 | -73 | 176.6 | 96.3 | 176.3 | 5.8 | 112.9 | E25 E26 Q31 | E25-R29 PolarHBondContact O-N 3.39Å; E25-R29 VanDerWaalsContact O-N 3.11Å; E26-R29 PolarHBondContact O-N 3.19Å; R29-Q31 VanDerWaalsContact C-N 3.3Å; R29-Q31 PolarHBondContact O-N 2.73Å |
| 30 | A | 60.3 | Low | 73.6 | Confident | 77 Ų | 77 | 95.8 Ų | 95.8 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | E26 R27 A28 | E26-A30 PolarHBondContact O-N 3.44Å; R27-A30 PolarHBondContact O-N 3.28Å; A28-A30 VanDerWaalsContact C-N 3.33Å |
| 31 | Q | 77.1 | Confident | 76.1 | Confident | 99 Ų | 99 | 91.4 Ų | 91.4 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | 54 | 179.3 | -62 | -178 | 13.1 | 0 | 0 | 111.4 | R29 L33 K93 | R29-Q31 VanDerWaalsContact C-N 3.3Å; R29-Q31 PolarHBondContact O-N 2.73Å; Q31-L33 HydrophobicContact CB-CD1 4.21Å; Q31-L33 WeakPolarHBondContact O-CD1 3.37Å; Q31-K93 WeakPolarHBondContact O-CA 3.46Å |
| 32 | V | 89.4 | Confident | 78.2 | Confident | 77 Ų | 77 | 88.9 Ų | 88.9 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.8 | 166.1 | 178.9 | 0 | 0 | 0 | 0 | 107 | I91 L102 | V32-I91 HydrophobicContact CG1-CG2 3.19Å; V32-L102 HydrophobicContact CG1-CD1 4.07Å; V32-L102 HydrophobicContact CG2-CD1 3.94Å |
| 33 | L | 92.6 | Very high | 79.9 | Confident | 52 Ų | 52 | 87.3 Ų | 87.3 | 27% | 0.272 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 156.9 | 179.5 | -60.1 | 101.2 | 0 | 0 | 0 | 110.1 | Q31 E57 I91 Y92 | Q31-L33 HydrophobicContact CB-CD1 4.21Å; Q31-L33 WeakPolarHBondContact O-CD1 3.37Å; L33-E57 HydrophobicContact CB-CG 4.39Å; L33-E57 HydrophobicContact CD2-CG 4.04Å; L33-I91 CarbonylContact O-C 3.56Å; L33-I91 VanDerWaalsContact O-CA 3.27Å; L33-I91 WeakPolarHBondContact O-CA 3.33Å; L33-I91 WeakPolarHBondContact O-CG2 3.35Å; L33-Y92 HydrophobicContact CB-CD1 4.31Å; L33-Y92 HydrophobicContact CB-CE1 3.73Å; L33-Y92 HydrophobicContact CB-CE2 4.06Å; L33-Y92 HydrophobicContact CD1-CE2 4.08Å; L33-Y92 PolarHBondContact N-O 2.9Å; L33-Y92 PolarHBondContact O-N 2.94Å |
| 34 | S | 94.4 | Very high | 81.7 | Confident | 55 Ų | 55 | 81 Ų | 81 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 147.5 | 172.6 | 67.7 | 0 | 0 | 0 | 0 | 111 | E57 F90 | S34-E57 WeakPolarHBondContact CA-OE1 3.44Å; S34-E57 WeakPolarHBondContact CB-OE1 3.39Å; S34-E57 PolarHBondContact N-OE1 2.61Å; S34-E57 PolarHBondContact O-N 2.91Å; S34-E57 PolarHBondContact OG-OE1 2.89Å; S34-F90 CarbonylContact C-O 3.59Å; S34-F90 WeakPolarHBondContact CA-O 3.43Å |
| 35 | G | 95.1 | Very high | 83.4 | Confident | 10 Ų | 10 | 84.1 Ų | 84.1 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 166.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N55 F90 | G35-N55 CarbonylContact C-O 3.57Å; G35-N55 WeakPolarHBondContact CA-O 3.02Å; G35-F90 PolarHBondContact N-O 3.12Å; G35-F90 PolarHBondContact O-N 2.85Å |
| 36 | S | 96.5 | Very high | 85.2 | Confident | 32 Ų | 32 | 82.2 Ų | 82.2 | 22% | 0.224 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154 | 172.8 | 69 | 0 | 0 | 0 | 0 | 110.5 | T54 N55 V88 | S36-T54 PolarHBondContact O-N 2.87Å; S36-T54 PolarHBondContact O-OG1 3.42Å; S36-N55 PolarHBondContact N-O 3.44Å; S36-N55 PolarHBondContact O-N 3.45Å; S36-N55 WeakPolarHBondContact OG-CB 3.45Å; S36-V88 WeakPolarHBondContact CA-O 3.36Å |
| 37 | G | 96.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | -155.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S52 Q87 V88 | G37-S52 VanDerWaalsContact CA-O 3.26Å; G37-S52 WeakPolarHBondContact CA-O 3.45Å; G37-Q87 WeakPolarHBondContact O-CA 3.49Å; G37-V88 PolarHBondContact N-O 3.37Å; G37-V88 PolarHBondContact O-N 3.5Å |
| 38 | F | 96.9 | Very high | 88.8 | Confident | 90 Ų | 90 | 68.1 Ų | 68.1 | 40% | 0.395 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 141.3 | -177.7 | -57.6 | -85.6 | 0 | 0 | 0 | 110.7 | K40 I51 S52 T54 E86 Q87 | F38-K40 PolarHBondContact O-N 3.09Å; F38-I51 CarbonylContact O-C 3.5Å; F38-I51 WeakPolarHBondContact O-CA 3.4Å; F38-I51 WeakPolarHBondContact O-CG2 3.16Å; F38-S52 PolarHBondContact N-O 3.34Å; F38-S52 PolarHBondContact O-N 2.97Å; F38-T54 HydrophobicContact CD2-CG2 3.98Å; F38-T54 HydrophobicContact CE2-CG2 4.09Å; F38-E86 CarbonylContact C-O 3.49Å; F38-E86 VanDerWaalsContact CA-O 3.29Å; F38-E86 WeakPolarHBondContact CA-O 3.42Å; F38-Q87 HydrophobicContact CD1-CB 4.09Å; F38-Q87 HydrophobicContact CE1-CB 3.92Å; F38-Q87 HydrophobicContact CE1-CG 4.15Å |
| 39 | C | 97.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 112.3 | 172.2 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | L82 K83 G85 E86 | C39-L82 HydrophobicContact CB-CB 4.07Å; C39-L82 HydrophobicContact CB-CD1 4.17Å; C39-L82 VanDerWaalsContact SG-CB 3.56Å; C39-K83 WeakPolarHBondContact CB-O 3.16Å; C39-G85 PolarHBondContact O-N 3.4Å; C39-E86 HydrophobicContact CB-CB 4.38Å; C39-E86 PolarHBondContact N-O 3.25Å |
| 40 | K | 96.7 | Very high | 92.6 | Very high | 91 Ų | 91 | 58.7 Ų | 58.7 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -46.5 | 179.4 | -170.4 | -178 | -175.3 | 166 | 0 | 110.7 | F38 F50 D66 | F38-K40 PolarHBondContact O-N 3.09Å; K40-F50 WeakPolarHBondContact CB-O 3.35Å; K40-F50 PolarHBondContact N-O 2.84Å; K40-D66 VanDerWaalsContact CD-OD1 3.31Å; K40-D66 WeakPolarHBondContact CD-OD1 3.26Å; K40-D66 IonicContact NZ-OD1 2.86Å; K40-D66 PolarHBondContact NZ-OD1 3.26Å; K40-D66 IonicContact NZ-OD2 3.38Å; K40-D66 PolarHBondContact NZ-OD2 3.1Å |
| 41 | W | 96.3 | Very high | 94.4 | Very high | 99 Ų | 99 | 55 Ų | 55 | 38% | 0.375 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 153.5 | 171.8 | 56.4 | -96.8 | 0 | 0 | 0 | 109.8 | N43 F48 G49 F50 | W41-N43 HydrophobicContact CZ3-CB 4.36Å; W41-F48 HydrophobicContact CH2-CD2 4.1Å; W41-F48 AromaticContact CH2-CE2 3.87Å; W41-F48 HydrophobicContact CH2-CE2 3.87Å; W41-F48 HydrophobicContact CZ3-CD2 4.02Å; W41-F48 AromaticContact CZ3-CE2 3.98Å; W41-F48 HydrophobicContact CZ3-CE2 3.98Å; W41-G49 CarbonylContact O-C 3.58Å; W41-G49 WeakPolarHBondContact O-CA 3.27Å; W41-F50 HydrophobicContact CD2-CD2 4.48Å; W41-F50 AromaticContact CE2-CD2 3.59Å; W41-F50 AromaticContact CH2-CD2 3.53Å; W41-F50 HydrophobicContact CH2-CD2 3.53Å; W41-F50 AromaticContact CH2-CE2 3.75Å; W41-F50 HydrophobicContact CH2-CE2 3.75Å; W41-F50 AromaticContact CZ2-CD2 3.08Å; W41-F50 HydrophobicContact CZ2-CD2 3.08Å; W41-F50 AromaticContact CZ2-CE2 3.47Å; W41-F50 HydrophobicContact CZ2-CE2 3.47Å; W41-F50 VanDerWaalsContact CZ2-CE2 3.47Å; W41-F50 HydrophobicContact CZ2-CG 4.15Å; W41-F50 HydrophobicContact CZ3-CD2 4.39Å; W41-F50 PolarHBondContact N-O 2.87Å; W41-F50 PolarHBondContact O-N 3.39Å |
| 42 | F | 96.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 51.7 Ų | 51.7 | 10% | 0.101 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 121.4 | 175.6 | -168.7 | -90.6 | 0 | 0 | 0 | 110.7 | V44 V69 Q71 L74 L82 | F42-V44 HydrophobicContact CD1-CG2 4.03Å; F42-V44 PolarHBondContact O-N 2.82Å; F42-V69 HydrophobicContact CD2-CG1 4.31Å; F42-Q71 HydrophobicContact CZ-CB 4.14Å; F42-L74 HydrophobicContact CE2-CD1 4.04Å; F42-L74 HydrophobicContact CZ-CD1 4.05Å; F42-L82 HydrophobicContact CB-CB 4.07Å; F42-L82 HydrophobicContact CD2-CB 4.09Å; F42-L82 HydrophobicContact CD2-CD1 4.3Å; F42-L82 HydrophobicContact CD2-CG 4.29Å; F42-L82 HydrophobicContact CG-CB 4.1Å |
| 43 | N | 95.4 | Very high | 95.7 | Very high | 56 Ų | 56 | 48 Ų | 48 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 97.7 | 173.7 | -170.2 | -39.2 | 0 | 0 | 0 | 109.4 | W41 R45 M46 G47 F48 | W41-N43 HydrophobicContact CZ3-CB 4.36Å; N43-R45 PolarHBondContact O-N 2.94Å; N43-R45 WeakPolarHBondContact OD1-CB 3.27Å; N43-R45 PolarHBondContact OD1-N 2.83Å; N43-M46 HydrophobicContact CB-CB 4.16Å; N43-M46 HydrophobicContact CB-CG 4.47Å; N43-M46 PolarHBondContact O-N 3.34Å; N43-M46 VanDerWaalsContact O-N 3.15Å; N43-M46 PolarHBondContact OD1-N 3.21Å; N43-G47 PolarHBondContact O-N 2.8Å; N43-F48 PolarHBondContact N-O 2.87Å |
| 44 | V | 93.2 | Very high | 95.9 | Very high | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.17 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.1 | -177.6 | -171.9 | 0 | 0 | 0 | 0 | 113.2 | F42 F79 S115 P119 | F42-V44 HydrophobicContact CD1-CG2 4.03Å; F42-V44 PolarHBondContact O-N 2.82Å; V44-F79 HydrophobicContact CG1-CE1 3.29Å; V44-F79 HydrophobicContact CG1-CZ 3.32Å; V44-S115 WeakPolarHBondContact CG2-OG 3.24Å; V44-P119 VanDerWaalsContact CG1-CD 3.48Å; V44-P119 HydrophobicContact CG1-CG 3.9Å |
| 45 | R | 90.3 | Very high | 95.9 | Very high | 219 Ų | 219 | 47.1 Ų | 47.1 | 83% | 0.826 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -38.4 | 178.4 | -172.5 | 178.6 | 75.8 | -178.9 | 3.4 | 111.8 | N43 | N43-R45 PolarHBondContact O-N 2.94Å; N43-R45 WeakPolarHBondContact OD1-CB 3.27Å; N43-R45 PolarHBondContact OD1-N 2.83Å |
| 46 | M | 93.8 | Very high | 95.7 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 52% | 0.517 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -16.1 | -178.7 | -60 | -171.1 | 75.7 | 0 | 0 | 113.3 | N43 F48 | N43-M46 HydrophobicContact CB-CB 4.16Å; N43-M46 HydrophobicContact CB-CG 4.47Å; N43-M46 PolarHBondContact O-N 3.34Å; N43-M46 VanDerWaalsContact O-N 3.15Å; N43-M46 PolarHBondContact OD1-N 3.21Å; M46-F48 HydrophobicContact CB-CD1 3.62Å; M46-F48 HydrophobicContact CB-CE1 3.34Å; M46-F48 HydrophobicContact CB-CZ 4.01Å; M46-F48 HydrophobicContact CE-CE1 3.36Å; M46-F48 HydrophobicContact CE-CZ 3.6Å; M46-F48 HydrophobicContact CG-CE1 4.1Å; M46-F48 HydrophobicContact CG-CZ 4.45Å; M46-F48 HydrophobicContact SD-CE1 3.7Å; M46-F48 HydrophobicContact SD-CZ 3.58Å; M46-F48 VanDerWaalsContact SD-CZ 3.58Å |
| 47 | G | 95.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 27.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | N43 H70 Q71 | N43-G47 PolarHBondContact O-N 2.8Å; G47-H70 PolarHBondContact O-CD2 2.93Å; G47-Q71 WeakPolarHBondContact O-CB 3.35Å; G47-Q71 WeakPolarHBondContact O-CG 3.4Å; G47-Q71 PolarHBondContact O-N 2.72Å |
| 48 | F | 96.6 | Very high | 94.7 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 163.1 | 174.9 | 67.2 | -103.5 | 0 | 0 | 0 | 112.1 | W41 N43 M46 F68 V69 | W41-F48 HydrophobicContact CH2-CD2 4.1Å; W41-F48 AromaticContact CH2-CE2 3.87Å; W41-F48 HydrophobicContact CH2-CE2 3.87Å; W41-F48 HydrophobicContact CZ3-CD2 4.02Å; W41-F48 AromaticContact CZ3-CE2 3.98Å; W41-F48 HydrophobicContact CZ3-CE2 3.98Å; N43-F48 PolarHBondContact N-O 2.87Å; M46-F48 HydrophobicContact CB-CD1 3.62Å; M46-F48 HydrophobicContact CB-CE1 3.34Å; M46-F48 HydrophobicContact CB-CZ 4.01Å; M46-F48 HydrophobicContact CE-CE1 3.36Å; M46-F48 HydrophobicContact CE-CZ 3.6Å; M46-F48 HydrophobicContact CG-CE1 4.1Å; M46-F48 HydrophobicContact CG-CZ 4.45Å; M46-F48 HydrophobicContact SD-CE1 3.7Å; M46-F48 HydrophobicContact SD-CZ 3.58Å; M46-F48 VanDerWaalsContact SD-CZ 3.58Å; F48-F68 HydrophobicContact CB-CE2 3.92Å; F48-F68 HydrophobicContact CB-CZ 3.97Å; F48-F68 HydrophobicContact CD2-CE2 4.1Å; F48-F68 HydrophobicContact CG-CE2 4.19Å; F48-F68 HydrophobicContact CG-CZ 4.48Å; F48-V69 CarbonylContact C-O 3.55Å; F48-V69 WeakPolarHBondContact CA-O 3.41Å; F48-V69 WeakPolarHBondContact CB-O 3.37Å |
| 49 | G | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | -166.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W41 V69 | W41-G49 CarbonylContact O-C 3.58Å; W41-G49 WeakPolarHBondContact O-CA 3.27Å; G49-V69 VanDerWaalsContact C-CG1 3.43Å; G49-V69 PolarHBondContact N-O 3.25Å; G49-V69 WeakPolarHBondContact O-CG1 3.18Å; G49-V69 PolarHBondContact O-N 3.29Å |
| 50 | F | 97.9 | Very high | 94 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 26% | 0.263 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145.5 | 172.2 | -75.9 | -100.3 | 0 | 0 | 0 | 110.9 | K40 W41 D66 V67 F68 | K40-F50 WeakPolarHBondContact CB-O 3.35Å; K40-F50 PolarHBondContact N-O 2.84Å; W41-F50 HydrophobicContact CD2-CD2 4.48Å; W41-F50 AromaticContact CE2-CD2 3.59Å; W41-F50 AromaticContact CH2-CD2 3.53Å; W41-F50 HydrophobicContact CH2-CD2 3.53Å; W41-F50 AromaticContact CH2-CE2 3.75Å; W41-F50 HydrophobicContact CH2-CE2 3.75Å; W41-F50 AromaticContact CZ2-CD2 3.08Å; W41-F50 HydrophobicContact CZ2-CD2 3.08Å; W41-F50 AromaticContact CZ2-CE2 3.47Å; W41-F50 HydrophobicContact CZ2-CE2 3.47Å; W41-F50 VanDerWaalsContact CZ2-CE2 3.47Å; W41-F50 HydrophobicContact CZ2-CG 4.15Å; W41-F50 HydrophobicContact CZ3-CD2 4.39Å; W41-F50 PolarHBondContact N-O 2.87Å; W41-F50 PolarHBondContact O-N 3.39Å; F50-D66 HydrophobicContact CD1-CB 3.95Å; F50-V67 CarbonylContact C-O 3.54Å; F50-V67 VanDerWaalsContact CA-O 3.32Å; F50-V67 WeakPolarHBondContact CA-O 3.45Å; F50-F68 HydrophobicContact CD1-CB 4.47Å; F50-F68 HydrophobicContact CE1-CB 4.08Å; F50-F68 HydrophobicContact CE1-CD2 4.37Å; F50-F68 HydrophobicContact CE2-CD2 4.05Å; F50-F68 HydrophobicContact CZ-CB 4.45Å; F50-F68 AromaticContact CZ-CD2 3.94Å; F50-F68 HydrophobicContact CZ-CD2 3.94Å |
| 51 | I | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.2 | 173.4 | -61.6 | 164.2 | 0 | 0 | 0 | 107.2 | F38 M53 V67 V69 L82 V88 F90 V104 | F38-I51 CarbonylContact O-C 3.5Å; F38-I51 WeakPolarHBondContact O-CA 3.4Å; F38-I51 WeakPolarHBondContact O-CG2 3.16Å; I51-M53 PolarHBondContact O-N 2.79Å; I51-V67 HydrophobicContact CB-CB 4.44Å; I51-V67 PolarHBondContact N-O 2.84Å; I51-V67 PolarHBondContact O-N 2.89Å; I51-V69 HydrophobicContact CD1-CB 3.93Å; I51-V69 HydrophobicContact CD1-CG1 4.08Å; I51-V69 HydrophobicContact CD1-CG2 4.23Å; I51-V69 HydrophobicContact CG1-CB 4.31Å; I51-V69 HydrophobicContact CG1-CG1 3.93Å; I51-L82 HydrophobicContact CD1-CD1 4.32Å; I51-L82 HydrophobicContact CG1-CD1 4.29Å; I51-V88 HydrophobicContact CD1-CG2 3.97Å; I51-V88 HydrophobicContact CG1-CG2 4.14Å; I51-V88 HydrophobicContact CG2-CG2 3.61Å; I51-F90 HydrophobicContact CB-CE1 4.43Å; I51-F90 HydrophobicContact CD1-CD1 4.13Å; I51-F90 HydrophobicContact CD1-CG 4.41Å; I51-F90 HydrophobicContact CG2-CD1 4.01Å; I51-F90 HydrophobicContact CG2-CE1 3.44Å; I51-F90 VanDerWaalsContact CG2-CE1 3.44Å; I51-F90 HydrophobicContact CG2-CZ 4Å; I51-V104 HydrophobicContact CD1-CG1 3.99Å; I51-V104 HydrophobicContact CD1-CG2 4Å |
| 52 | S | 97.3 | Very high | 93.5 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 106.2 | 169.6 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | G37 F38 P64 | G37-S52 VanDerWaalsContact CA-O 3.26Å; G37-S52 WeakPolarHBondContact CA-O 3.45Å; F38-S52 PolarHBondContact N-O 3.34Å; F38-S52 PolarHBondContact O-N 2.97Å; S52-P64 VanDerWaalsContact OG-CB 3.26Å; S52-P64 WeakPolarHBondContact OG-CB 3.28Å |
| 53 | M | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.1 | -180 | -175.7 | 166.8 | 66.4 | 0 | 0 | 110.1 | I51 N55 P64 L65 V67 F90 Y92 L99 | I51-M53 PolarHBondContact O-N 2.79Å; M53-N55 WeakPolarHBondContact CG-O 3.43Å; M53-P64 VanDerWaalsContact O-CA 3.28Å; M53-P64 WeakPolarHBondContact O-CA 3.49Å; M53-L65 HydrophobicContact CB-CB 4.47Å; M53-L65 WeakPolarHBondContact CB-O 3.37Å; M53-L65 HydrophobicContact CE-CB 3.87Å; M53-L65 HydrophobicContact CE-CD1 3.77Å; M53-L65 HydrophobicContact CE-CG 4.34Å; M53-L65 PolarHBondContact N-O 3.32Å; M53-L65 PolarHBondContact O-N 3.39Å; M53-V67 HydrophobicContact CB-CG2 3.98Å; M53-V67 HydrophobicContact CE-CG2 4.49Å; M53-V67 HydrophobicContact SD-CG2 4.26Å; M53-F90 HydrophobicContact CB-CZ 3.85Å; M53-F90 HydrophobicContact CG-CE2 4.37Å; M53-F90 HydrophobicContact CG-CZ 3.75Å; M53-F90 HydrophobicContact SD-CE2 3.94Å; M53-F90 HydrophobicContact SD-CZ 3.94Å; M53-Y92 HydrophobicContact CE-CE1 4.33Å; M53-Y92 HydrophobicContact CE-CE2 4.47Å; M53-Y92 HydrophobicContact SD-CD1 4.16Å; M53-Y92 HydrophobicContact SD-CE1 3.49Å; M53-Y92 WeakPolarHBondContact SD-CE1 3.19Å; M53-L99 HydrophobicContact CE-CD1 4.05Å |
| 54 | T | 96 | Very high | 93.1 | Very high | 50 Ų | 50 | 62.9 Ų | 62.9 | 31% | 0.307 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -20.9 | 178.1 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | S36 F38 P60 V61 | S36-T54 PolarHBondContact O-N 2.87Å; S36-T54 PolarHBondContact O-OG1 3.42Å; F38-T54 HydrophobicContact CD2-CG2 3.98Å; F38-T54 HydrophobicContact CE2-CG2 4.09Å; T54-P60 WeakPolarHBondContact O-CA 3.29Å; T54-V61 PolarHBondContact O-N 3.23Å |
| 55 | N | 94.1 | Very high | 93.1 | Very high | 38 Ų | 38 | 65.1 Ų | 65.1 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 138 | 178.1 | -169.4 | -74.7 | 0 | 0 | 0 | 110.3 | G35 S36 M53 G58 S59 | G35-N55 CarbonylContact C-O 3.57Å; G35-N55 WeakPolarHBondContact CA-O 3.02Å; S36-N55 PolarHBondContact N-O 3.44Å; S36-N55 PolarHBondContact O-N 3.45Å; S36-N55 WeakPolarHBondContact OG-CB 3.45Å; M53-N55 WeakPolarHBondContact CG-O 3.43Å; N55-G58 VanDerWaalsContact ND2-C 3.26Å; N55-G58 PolarHBondContact ND2-O 2.87Å; N55-G58 WeakPolarHBondContact OD1-CA 3.43Å; N55-G58 PolarHBondContact OD1-N 2.94Å; N55-S59 CarbonylContact C-O 3.47Å; N55-S59 VanDerWaalsContact CA-O 3.29Å; N55-S59 WeakPolarHBondContact CA-O 3.44Å; N55-S59 VanDerWaalsContact ND2-C 3.26Å; N55-S59 PolarHBondContact ND2-O 2.9Å; N55-S59 PolarHBondContact OD1-N 3.37Å |
| 56 | S | 92.4 | Very high | 93.4 | Very high | 22 Ų | 22 | 58.1 Ų | 58.1 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 124.8 | 177.7 | 168.8 | 0 | 0 | 0 | 0 | 108.3 | G58 S59 Y92 | S56-G58 PolarHBondContact O-N 2.85Å; S56-G58 VanDerWaalsContact O-N 3.09Å; S56-S59 PolarHBondContact N-O 2.76Å; S56-S59 PolarHBondContact O-N 3.07Å; S56-Y92 PolarHBondContact OG-OH 2.86Å |
| 57 | E | 88.1 | Confident | 93.6 | Very high | 114 Ų | 114 | 53.1 Ų | 53.1 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 35.2 | 178.4 | -61.1 | -77 | 105.6 | 0 | 0 | 113.3 | L33 S34 S59 | L33-E57 HydrophobicContact CB-CG 4.39Å; L33-E57 HydrophobicContact CD2-CG 4.04Å; S34-E57 WeakPolarHBondContact CA-OE1 3.44Å; S34-E57 WeakPolarHBondContact CB-OE1 3.39Å; S34-E57 PolarHBondContact N-OE1 2.61Å; S34-E57 PolarHBondContact O-N 2.91Å; S34-E57 PolarHBondContact OG-OE1 2.89Å; E57-S59 VanDerWaalsContact C-N 3.32Å; E57-S59 PolarHBondContact O-N 3.05Å |
| 58 | G | 82.8 | Confident | 93.7 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -10.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | N55 S56 | N55-G58 VanDerWaalsContact ND2-C 3.26Å; N55-G58 PolarHBondContact ND2-O 2.87Å; N55-G58 WeakPolarHBondContact OD1-CA 3.43Å; N55-G58 PolarHBondContact OD1-N 2.94Å; S56-G58 PolarHBondContact O-N 2.85Å; S56-G58 VanDerWaalsContact O-N 3.09Å |
| 59 | S | 89.4 | Confident | 93.7 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 53% | 0.531 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.3 | 178.3 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | N55 S56 E57 | N55-S59 CarbonylContact C-O 3.47Å; N55-S59 VanDerWaalsContact CA-O 3.29Å; N55-S59 WeakPolarHBondContact CA-O 3.44Å; N55-S59 VanDerWaalsContact ND2-C 3.26Å; N55-S59 PolarHBondContact ND2-O 2.9Å; N55-S59 PolarHBondContact OD1-N 3.37Å; S56-S59 PolarHBondContact N-O 2.76Å; S56-S59 PolarHBondContact O-N 3.07Å; E57-S59 VanDerWaalsContact C-N 3.32Å; E57-S59 PolarHBondContact O-N 3.05Å |
| 60 | P | 91.4 | Very high | 93.7 | Very high | 116 Ų | 116 | 56.9 Ų | 56.9 | 75% | 0.753 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 142 | 174.4 | 26.8 | -32.2 | 0 | 0 | 0 | 111 | T54 | T54-P60 WeakPolarHBondContact O-CA 3.29Å |
| 61 | V | 91.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 57.5 Ų | 57.5 | 21% | 0.212 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.3 | -178.9 | -174.1 | 0 | 0 | 0 | 0 | 109 | T54 L65 | T54-V61 PolarHBondContact O-N 3.23Å; V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 3.89Å |
| 62 | D | 89.7 | Confident | 93.6 | Very high | 153 Ų | 153 | 61 Ų | 61 | 82% | 0.818 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 120.1 | 175.1 | -174 | 25.4 | 0 | 0 | 0 | 109.2 | ||
| 63 | P | 91.2 | Very high | 93.5 | Very high | 93 Ų | 93 | 63 Ų | 63 | 60% | 0.604 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -72.6 | 155.1 | 0.9 | 30.5 | -35.7 | 0 | 0 | 0 | 113.6 | L65 | P63-L65 PolarHBondContact O-N 2.77Å |
| 64 | P | 92.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 63 Ų | 63 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 135.3 | 175.1 | -21.9 | 31.5 | 0 | 0 | 0 | 111.6 | S52 M53 | S52-P64 VanDerWaalsContact OG-CB 3.26Å; S52-P64 WeakPolarHBondContact OG-CB 3.28Å; M53-P64 VanDerWaalsContact O-CA 3.28Å; M53-P64 WeakPolarHBondContact O-CA 3.49Å |
| 65 | L | 94.3 | Very high | 93.4 | Very high | 75 Ų | 75 | 62.7 Ų | 62.7 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 138.7 | -178.8 | -64.7 | 176.3 | 0 | 0 | 0 | 111 | M53 V61 P63 L99 | M53-L65 HydrophobicContact CB-CB 4.47Å; M53-L65 WeakPolarHBondContact CB-O 3.37Å; M53-L65 HydrophobicContact CE-CB 3.87Å; M53-L65 HydrophobicContact CE-CD1 3.77Å; M53-L65 HydrophobicContact CE-CG 4.34Å; M53-L65 PolarHBondContact N-O 3.32Å; M53-L65 PolarHBondContact O-N 3.39Å; V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 3.89Å; P63-L65 PolarHBondContact O-N 2.77Å; L65-L99 HydrophobicContact CB-CD1 4.14Å; L65-L99 HydrophobicContact CD1-CD1 4.19Å |
| 66 | D | 96.1 | Very high | 93.4 | Very high | 72 Ų | 72 | 62 Ų | 62 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.9 | 177.5 | -77.7 | -20.3 | 0 | 0 | 0 | 110.6 | K40 F50 | K40-D66 VanDerWaalsContact CD-OD1 3.31Å; K40-D66 WeakPolarHBondContact CD-OD1 3.26Å; K40-D66 IonicContact NZ-OD1 2.86Å; K40-D66 PolarHBondContact NZ-OD1 3.26Å; K40-D66 IonicContact NZ-OD2 3.38Å; K40-D66 PolarHBondContact NZ-OD2 3.1Å; F50-D66 HydrophobicContact CD1-CB 3.95Å |
| 67 | V | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123 | 178 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | F50 I51 M53 F90 L99 | F50-V67 CarbonylContact C-O 3.54Å; F50-V67 VanDerWaalsContact CA-O 3.32Å; F50-V67 WeakPolarHBondContact CA-O 3.45Å; I51-V67 HydrophobicContact CB-CB 4.44Å; I51-V67 PolarHBondContact N-O 2.84Å; I51-V67 PolarHBondContact O-N 2.89Å; M53-V67 HydrophobicContact CB-CG2 3.98Å; M53-V67 HydrophobicContact CE-CG2 4.49Å; M53-V67 HydrophobicContact SD-CG2 4.26Å; V67-F90 HydrophobicContact CB-CE2 4.23Å; V67-F90 HydrophobicContact CG1-CD2 4.3Å; V67-F90 HydrophobicContact CG1-CE2 4.05Å; V67-F90 HydrophobicContact CG2-CE2 3.87Å; V67-F90 HydrophobicContact CG2-CZ 4.17Å; V67-L99 HydrophobicContact CB-CB 4.41Å; V67-L99 HydrophobicContact CG1-CB 4.32Å; V67-L99 HydrophobicContact CG2-CB 4.01Å; V67-L99 HydrophobicContact CG2-CD1 4.03Å |
| 68 | F | 97.6 | Very high | 93.2 | Very high | 66 Ų | 66 | 67.5 Ų | 67.5 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.5 | 177.9 | 177.3 | -104.3 | 0 | 0 | 0 | 111.3 | F48 F50 H70 L99 E100 S101 | F48-F68 HydrophobicContact CB-CE2 3.92Å; F48-F68 HydrophobicContact CB-CZ 3.97Å; F48-F68 HydrophobicContact CD2-CE2 4.1Å; F48-F68 HydrophobicContact CG-CE2 4.19Å; F48-F68 HydrophobicContact CG-CZ 4.48Å; F50-F68 HydrophobicContact CD1-CB 4.47Å; F50-F68 HydrophobicContact CE1-CB 4.08Å; F50-F68 HydrophobicContact CE1-CD2 4.37Å; F50-F68 HydrophobicContact CE2-CD2 4.05Å; F50-F68 HydrophobicContact CZ-CB 4.45Å; F50-F68 AromaticContact CZ-CD2 3.94Å; F50-F68 HydrophobicContact CZ-CD2 3.94Å; F68-H70 HydrophobicContact CE1-CB 4.22Å; F68-L99 WeakPolarHBondContact CB-O 3.44Å; F68-L99 PolarHBondContact N-O 3.05Å; F68-E100 HydrophobicContact CD1-CG 4.21Å; F68-S101 WeakPolarHBondContact O-CB 3.29Å; F68-S101 PolarHBondContact O-N 2.85Å; F68-S101 PolarHBondContact O-OG 2.76Å |
| 69 | V | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.8 | 176.7 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | F42 F48 G49 I51 L74 L82 S101 V104 | F42-V69 HydrophobicContact CD2-CG1 4.31Å; F48-V69 CarbonylContact C-O 3.55Å; F48-V69 WeakPolarHBondContact CA-O 3.41Å; F48-V69 WeakPolarHBondContact CB-O 3.37Å; G49-V69 VanDerWaalsContact C-CG1 3.43Å; G49-V69 PolarHBondContact N-O 3.25Å; G49-V69 WeakPolarHBondContact O-CG1 3.18Å; G49-V69 PolarHBondContact O-N 3.29Å; I51-V69 HydrophobicContact CD1-CB 3.93Å; I51-V69 HydrophobicContact CD1-CG1 4.08Å; I51-V69 HydrophobicContact CD1-CG2 4.23Å; I51-V69 HydrophobicContact CG1-CB 4.31Å; I51-V69 HydrophobicContact CG1-CG1 3.93Å; V69-L74 HydrophobicContact CG2-CD2 3.6Å; V69-L74 HydrophobicContact CG2-CG 4.46Å; V69-L82 HydrophobicContact CG1-CD1 4.12Å; V69-L82 HydrophobicContact CG2-CD1 4.3Å; V69-S101 VanDerWaalsContact CA-OG 3.26Å; V69-S101 WeakPolarHBondContact CA-OG 3.06Å; V69-S101 WeakPolarHBondContact CB-OG 3.35Å; V69-V104 HydrophobicContact CG2-CG2 3.76Å |
| 70 | H | 97.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 68 Ų | 68 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 146.5 | 173.7 | -174.2 | -98.5 | 0 | 0 | 0 | 110.3 | G47 F68 S72 K73 | G47-H70 PolarHBondContact O-CD2 2.93Å; F68-H70 HydrophobicContact CE1-CB 4.22Å; H70-S72 WeakPolarHBondContact ND1-CB 3.36Å; H70-S72 PolarHBondContact ND1-N 2.85Å; H70-S72 PolarHBondContact ND1-OG 2.82Å; H70-S72 PolarHBondContact O-N 2.83Å; H70-K73 HydrophobicContact CB-CG 4.38Å; H70-K73 WeakPolarHBondContact O-CB 3.47Å; H70-K73 PolarHBondContact O-N 3.19Å |
| 71 | Q | 95.8 | Very high | 94 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -55 | -30.3 | -176.4 | 64 | 160.4 | 32.3 | 0 | 0 | 113.3 | F42 G47 K73 L74 R80 | F42-Q71 HydrophobicContact CZ-CB 4.14Å; G47-Q71 WeakPolarHBondContact O-CB 3.35Å; G47-Q71 WeakPolarHBondContact O-CG 3.4Å; G47-Q71 PolarHBondContact O-N 2.72Å; Q71-K73 PolarHBondContact O-N 3.21Å; Q71-L74 PolarHBondContact O-N 2.83Å; Q71-R80 HydrophobicContact CB-CB 4.14Å; Q71-R80 WeakPolarHBondContact O-CB 3.26Å; Q71-R80 WeakPolarHBondContact O-CD 3.28Å |
| 72 | S | 96.1 | Very high | 94.2 | Very high | 73 Ų | 73 | 61 Ų | 61 | 51% | 0.51 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -69.6 | -15.6 | -179.5 | 64 | 0 | 0 | 0 | 0 | 113.4 | H70 | H70-S72 WeakPolarHBondContact ND1-CB 3.36Å; H70-S72 PolarHBondContact ND1-N 2.85Å; H70-S72 PolarHBondContact ND1-OG 2.82Å; H70-S72 PolarHBondContact O-N 2.83Å |
| 73 | K | 96.4 | Very high | 94.4 | Very high | 69 Ų | 69 | 58.3 Ų | 58.3 | 30% | 0.3 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -94.7 | -10 | -179.6 | -48.8 | -54.7 | -168.4 | 172 | 0 | 112.4 | H70 Q71 L102 R103 V104 | H70-K73 HydrophobicContact CB-CG 4.38Å; H70-K73 WeakPolarHBondContact O-CB 3.47Å; H70-K73 PolarHBondContact O-N 3.19Å; Q71-K73 PolarHBondContact O-N 3.21Å; K73-L102 WeakPolarHBondContact CD-O 3.48Å; K73-R103 WeakPolarHBondContact O-CA 3.2Å; K73-V104 PolarHBondContact O-N 2.79Å |
| 74 | L | 96.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -77.3 | 125.3 | 179.6 | -56.8 | -178.1 | 0 | 0 | 0 | 110.8 | F42 V69 Q71 M76 R80 L82 V104 | F42-L74 HydrophobicContact CE2-CD1 4.04Å; F42-L74 HydrophobicContact CZ-CD1 4.05Å; V69-L74 HydrophobicContact CG2-CD2 3.6Å; V69-L74 HydrophobicContact CG2-CG 4.46Å; Q71-L74 PolarHBondContact O-N 2.83Å; L74-M76 HydrophobicContact CB-CG 4.39Å; L74-M76 HydrophobicContact CB-SD 4.35Å; L74-M76 HydrophobicContact CD1-SD 4.41Å; L74-M76 PolarHBondContact O-N 2.98Å; L74-R80 HydrophobicContact CB-CB 4.25Å; L74-R80 HydrophobicContact CD1-CB 4.21Å; L74-R80 PolarHBondContact O-NH1 3.32Å; L74-L82 HydrophobicContact CD1-CD2 4.36Å; L74-L82 HydrophobicContact CD1-CG 3.94Å; L74-L82 HydrophobicContact CD2-CD1 3.78Å; L74-L82 HydrophobicContact CD2-CD2 3.84Å; L74-L82 HydrophobicContact CD2-CG 3.71Å; L74-L82 HydrophobicContact CG-CG 4.5Å; L74-V104 HydrophobicContact CD2-CB 3.73Å; L74-V104 HydrophobicContact CD2-CG1 3.96Å; L74-V104 HydrophobicContact CD2-CG2 4.13Å |
| 75 | V | 94.4 | Very high | 94.8 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | trans | -86.2 | 94.2 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | R103 V104 T105 P111 C112 | V75-R103 HydrophobicContact CG2-CG 3.64Å; V75-V104 WeakPolarHBondContact CB-O 3.36Å; V75-V104 WeakPolarHBondContact CG2-O 3.34Å; V75-V104 PolarHBondContact N-O 2.93Å; V75-T105 HydrophobicContact CB-CG2 3.69Å; V75-T105 HydrophobicContact CG1-CG2 4.08Å; V75-T105 HydrophobicContact CG2-CG2 3.72Å; V75-P111 VanDerWaalsContact O-CA 3.28Å; V75-P111 WeakPolarHBondContact O-CA 3.46Å; V75-C112 PolarHBondContact O-N 2.9Å; V75-C112 VanDerWaalsContact O-N 3.1Å | ||
| 76 | M | 92.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | trans | -160.1 | 164.5 | 173.5 | 61.1 | -169.3 | -63.1 | 0 | 0 | 110.1 | L74 F79 R80 S81 C112 | L74-M76 HydrophobicContact CB-CG 4.39Å; L74-M76 HydrophobicContact CB-SD 4.35Å; L74-M76 HydrophobicContact CD1-SD 4.41Å; L74-M76 PolarHBondContact O-N 2.98Å; M76-F79 VanDerWaalsContact CE-O 3.25Å; M76-F79 WeakPolarHBondContact CE-O 3.37Å; M76-R80 HydrophobicContact CG-CB 4.14Å; M76-R80 HydrophobicContact CG-CG 3.81Å; M76-R80 VanDerWaalsContact O-CZ 3.3Å; M76-R80 PolarHBondContact O-NH1 2.98Å; M76-R80 WeakPolarHBondContact SD-CA 3.46Å; M76-R80 HydrophobicContact SD-CB 4.16Å; M76-R80 HydrophobicContact SD-CG 4.47Å; M76-S81 PolarHBondContact SD-N 2.84Å; M76-S81 VanDerWaalsContact SD-N 3.37Å; M76-C112 HydrophobicContact CB-CB 4.47Å; M76-C112 HydrophobicContact SD-CB 4.07Å | ||
| 77 | E | 88.8 | Confident | 94.9 | Very high | 184 Ų | 184 | 58.9 Ų | 58.9 | 86% | 0.86 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -92.2 | 150.2 | 175.3 | -64.6 | -173.9 | 174.2 | 0 | 0 | 111.5 | F79 | E77-F79 PolarHBondContact O-N 3.47Š|
| 78 | G | 89.1 | Confident | 94.9 | Very high | 68 Ų | 68 | 58.9 Ų | 58.9 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 73.1 | -127.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 79 | F | 89.6 | Confident | 94.8 | Very high | 55 Ų | 55 | 59.1 Ų | 59.1 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -84.7 | 116.5 | -174.1 | 177.8 | -99.3 | 0 | 0 | 0 | 110.2 | V44 M76 E77 R118 P119 | V44-F79 HydrophobicContact CG1-CE1 3.29Å; V44-F79 HydrophobicContact CG1-CZ 3.32Å; M76-F79 VanDerWaalsContact CE-O 3.25Å; M76-F79 WeakPolarHBondContact CE-O 3.37Å; E77-F79 PolarHBondContact O-N 3.47Å; F79-R118 HydrophobicContact CD1-CG 4.25Å; F79-R118 HydrophobicContact CG-CG 4.46Å; F79-P119 VanDerWaalsContact CE1-CD 3.46Å; F79-P119 HydrophobicContact CE1-CG 4.22Å; F79-P119 HydrophobicContact CE2-CG 4.02Å; F79-P119 HydrophobicContact CZ-CG 3.6Å |
| 80 | R | 94.1 | Very high | 94.8 | Very high | 93 Ų | 93 | 59.4 Ų | 59.4 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | trans | -87.5 | 109.8 | -170.5 | -60 | -179.4 | -164.2 | -85 | -11.5 | 111.9 | Q71 L74 M76 | Q71-R80 HydrophobicContact CB-CB 4.14Å; Q71-R80 WeakPolarHBondContact O-CB 3.26Å; Q71-R80 WeakPolarHBondContact O-CD 3.28Å; L74-R80 HydrophobicContact CB-CB 4.25Å; L74-R80 HydrophobicContact CD1-CB 4.21Å; L74-R80 PolarHBondContact O-NH1 3.32Å; M76-R80 HydrophobicContact CG-CB 4.14Å; M76-R80 HydrophobicContact CG-CG 3.81Å; M76-R80 VanDerWaalsContact O-CZ 3.3Å; M76-R80 PolarHBondContact O-NH1 2.98Å; M76-R80 WeakPolarHBondContact SD-CA 3.46Å; M76-R80 HydrophobicContact SD-CB 4.16Å; M76-R80 HydrophobicContact SD-CG 4.47Å | ||
| 81 | S | 95.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | trans | -148.4 | 170.1 | 173.3 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | M76 G114 S115 | M76-S81 PolarHBondContact SD-N 2.84Å; M76-S81 VanDerWaalsContact SD-N 3.37Å; S81-G114 WeakPolarHBondContact O-CA 3.05Å; S81-S115 WeakPolarHBondContact OG-CB 3.38Å; S81-S115 PolarHBondContact OG-N 3.2Å; S81-S115 PolarHBondContact OG-OG 3.06Å | ||
| 82 | L | 95.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | trans | -118.3 | 148.2 | 171.6 | -68.2 | 175.8 | 0 | 0 | 0 | 110 | C39 F42 I51 V69 L74 V88 C112 | C39-L82 HydrophobicContact CB-CB 4.07Å; C39-L82 HydrophobicContact CB-CD1 4.17Å; C39-L82 VanDerWaalsContact SG-CB 3.56Å; F42-L82 HydrophobicContact CB-CB 4.07Å; F42-L82 HydrophobicContact CD2-CB 4.09Å; F42-L82 HydrophobicContact CD2-CD1 4.3Å; F42-L82 HydrophobicContact CD2-CG 4.29Å; F42-L82 HydrophobicContact CG-CB 4.1Å; I51-L82 HydrophobicContact CD1-CD1 4.32Å; I51-L82 HydrophobicContact CG1-CD1 4.29Å; V69-L82 HydrophobicContact CG1-CD1 4.12Å; V69-L82 HydrophobicContact CG2-CD1 4.3Å; L74-L82 HydrophobicContact CD1-CD2 4.36Å; L74-L82 HydrophobicContact CD1-CG 3.94Å; L74-L82 HydrophobicContact CD2-CD1 3.78Å; L74-L82 HydrophobicContact CD2-CD2 3.84Å; L74-L82 HydrophobicContact CD2-CG 3.71Å; L74-L82 HydrophobicContact CG-CG 4.5Å; L82-V88 HydrophobicContact CD2-CG1 3.97Å; L82-C112 HydrophobicContact CD2-CB 3.83Å | ||
| 83 | K | 94.8 | Very high | 94.6 | Very high | 95 Ų | 95 | 55.5 Ų | 55.5 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | trans | -87 | 140.7 | 168.7 | 172.4 | 175.4 | 176.7 | 165.6 | 0 | 109.9 | C39 G85 E86 E116 | C39-K83 WeakPolarHBondContact CB-O 3.16Å; K83-G85 PolarHBondContact O-N 3.27Å; K83-E86 HydrophobicContact CB-CB 4.12Å; K83-E86 PolarHBondContact N-OE2 2.82Å; K83-E86 WeakPolarHBondContact O-CB 3.48Å; K83-E86 PolarHBondContact O-N 3.42Å; K83-E116 WeakPolarHBondContact CD-OE2 3.48Å; K83-E116 VanDerWaalsContact CE-OE2 3.24Å; K83-E116 WeakPolarHBondContact CE-OE2 3.41Å; K83-E116 IonicContact NZ-OE2 3.95Å; K83-E116 PolarHBondContact NZ-OE2 3.02Å | ||
| 84 | E | 95.5 | Very high | 94.4 | Very high | 149 Ų | 149 | 59.4 Ų | 59.4 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 131.9 | 173.1 | -175 | 176 | 168.2 | 0 | 0 | 110.8 | E86 | E84-E86 VanDerWaalsContact C-N 3.26Å; E84-E86 PolarHBondContact O-N 3.03Å |
| 85 | G | 95.5 | Very high | 94.1 | Very high | 50 Ų | 50 | 61.1 Ų | 61.1 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | C39 K83 Q87 | C39-G85 PolarHBondContact O-N 3.4Å; K83-G85 PolarHBondContact O-N 3.27Å; G85-Q87 PolarHBondContact O-N 3.48Å |
| 86 | E | 95.5 | Very high | 93.9 | Very high | 20 Ų | 20 | 65 Ų | 65 | 9% | 0.093 | 35% | 0.346 | C | S | . | . | trans | -66.3 | 128.9 | 175.5 | -175.1 | -179.7 | 156.7 | 0 | 0 | 110.9 | F38 C39 K83 E84 V88 C112 A113 G114 | F38-E86 CarbonylContact C-O 3.49Å; F38-E86 VanDerWaalsContact CA-O 3.29Å; F38-E86 WeakPolarHBondContact CA-O 3.42Å; C39-E86 HydrophobicContact CB-CB 4.38Å; C39-E86 PolarHBondContact N-O 3.25Å; K83-E86 HydrophobicContact CB-CB 4.12Å; K83-E86 PolarHBondContact N-OE2 2.82Å; K83-E86 WeakPolarHBondContact O-CB 3.48Å; K83-E86 PolarHBondContact O-N 3.42Å; E84-E86 VanDerWaalsContact C-N 3.26Å; E84-E86 PolarHBondContact O-N 3.03Å; E86-V88 HydrophobicContact CG-CG1 4.28Å; E86-C112 WeakPolarHBondContact OE1-CA 3.43Å; E86-C112 WeakPolarHBondContact OE1-CB 3.17Å; E86-A113 HydrophobicContact CG-CB 4.43Å; E86-A113 PolarHBondContact OE1-N 3.06Å; E86-G114 PolarHBondContact OE2-N 3.21Å; E86-G114 VanDerWaalsContact OE2-N 3.12Å | ||
| 87 | Q | 96.6 | Very high | 93.7 | Very high | 99 Ų | 99 | 73.7 Ų | 73.7 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 131.1 | 173.2 | -173.3 | 173.7 | -0.1 | 0 | 0 | 110.1 | G37 F38 G85 P107 | G37-Q87 WeakPolarHBondContact O-CA 3.49Å; F38-Q87 HydrophobicContact CD1-CB 4.09Å; F38-Q87 HydrophobicContact CE1-CB 3.92Å; F38-Q87 HydrophobicContact CE1-CG 4.15Å; G85-Q87 PolarHBondContact O-N 3.48Å; Q87-P107 WeakPolarHBondContact O-CD 3.49Å |
| 88 | V | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 147.1 | -175.8 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | S36 G37 I51 L82 E86 F90 V104 T105 | S36-V88 WeakPolarHBondContact CA-O 3.36Å; G37-V88 PolarHBondContact N-O 3.37Å; G37-V88 PolarHBondContact O-N 3.5Å; I51-V88 HydrophobicContact CD1-CG2 3.97Å; I51-V88 HydrophobicContact CG1-CG2 4.14Å; I51-V88 HydrophobicContact CG2-CG2 3.61Å; L82-V88 HydrophobicContact CD2-CG1 3.97Å; E86-V88 HydrophobicContact CG-CG1 4.28Å; V88-F90 HydrophobicContact CG2-CD1 4.03Å; V88-F90 HydrophobicContact CG2-CE1 4.34Å; V88-V104 HydrophobicContact CB-CG1 3.91Å; V88-V104 HydrophobicContact CG1-CG1 4.05Å; V88-V104 HydrophobicContact CG2-CG1 4.46Å; V88-T105 WeakPolarHBondContact CA-O 3.26Å |
| 89 | E | 96.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 65.2 Ų | 65.2 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137.7 | 167.9 | -71.2 | 171.2 | -162.2 | 0 | 0 | 108 | T105 G108 G109 | E89-T105 PolarHBondContact N-O 3.15Å; E89-T105 PolarHBondContact O-N 2.77Å; E89-T105 VanDerWaalsContact O-O 3.13Å; E89-T105 PolarHBondContact O-OG1 2.97Å; E89-G108 PolarHBondContact OE1-N 2.77Å; E89-G108 PolarHBondContact OE2-N 2.95Å; E89-G109 PolarHBondContact OE2-N 2.72Å |
| 90 | F | 96.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 156 | -174.4 | 55.2 | -88.6 | 0 | 0 | 0 | 112.6 | S34 G35 I51 M53 V67 V88 Y92 R103 V104 | S34-F90 CarbonylContact C-O 3.59Å; S34-F90 WeakPolarHBondContact CA-O 3.43Å; G35-F90 PolarHBondContact N-O 3.12Å; G35-F90 PolarHBondContact O-N 2.85Å; I51-F90 HydrophobicContact CB-CE1 4.43Å; I51-F90 HydrophobicContact CD1-CD1 4.13Å; I51-F90 HydrophobicContact CD1-CG 4.41Å; I51-F90 HydrophobicContact CG2-CD1 4.01Å; I51-F90 HydrophobicContact CG2-CE1 3.44Å; I51-F90 VanDerWaalsContact CG2-CE1 3.44Å; I51-F90 HydrophobicContact CG2-CZ 4Å; M53-F90 HydrophobicContact CB-CZ 3.85Å; M53-F90 HydrophobicContact CG-CE2 4.37Å; M53-F90 HydrophobicContact CG-CZ 3.75Å; M53-F90 HydrophobicContact SD-CE2 3.94Å; M53-F90 HydrophobicContact SD-CZ 3.94Å; V67-F90 HydrophobicContact CB-CE2 4.23Å; V67-F90 HydrophobicContact CG1-CD2 4.3Å; V67-F90 HydrophobicContact CG1-CE2 4.05Å; V67-F90 HydrophobicContact CG2-CE2 3.87Å; V67-F90 HydrophobicContact CG2-CZ 4.17Å; V88-F90 HydrophobicContact CG2-CD1 4.03Å; V88-F90 HydrophobicContact CG2-CE1 4.34Å; F90-Y92 AromaticContact CD2-CD1 3.85Å; F90-Y92 HydrophobicContact CD2-CD1 3.85Å; F90-Y92 HydrophobicContact CD2-CG 4.41Å; F90-Y92 AromaticContact CE2-CD1 3.62Å; F90-Y92 HydrophobicContact CE2-CD1 3.62Å; F90-Y92 HydrophobicContact CE2-CE1 4.28Å; F90-Y92 HydrophobicContact CE2-CG 4.25Å; F90-R103 CarbonylContact C-O 3.53Å; F90-R103 WeakPolarHBondContact CA-O 3.48Å; F90-R103 VanDerWaalsContact CB-O 3.27Å; F90-R103 WeakPolarHBondContact CB-O 3.31Å; F90-V104 HydrophobicContact CB-CB 4.27Å; F90-V104 HydrophobicContact CB-CG1 4.3Å; F90-V104 HydrophobicContact CB-CG2 3.87Å |
| 91 | I | 95.9 | Very high | 94.7 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.3 | 169.1 | -59.7 | 174.6 | 0 | 0 | 0 | 106.4 | V32 L33 S101 L102 R103 | V32-I91 HydrophobicContact CG1-CG2 3.19Å; L33-I91 CarbonylContact O-C 3.56Å; L33-I91 VanDerWaalsContact O-CA 3.27Å; L33-I91 WeakPolarHBondContact O-CA 3.33Å; L33-I91 WeakPolarHBondContact O-CG2 3.35Å; I91-S101 CarbonylContact O-C 3.49Å; I91-S101 WeakPolarHBondContact O-CA 3.32Å; I91-L102 HydrophobicContact CG2-CB 4.32Å; I91-L102 HydrophobicContact CG2-CD1 4.26Å; I91-L102 PolarHBondContact O-N 3.44Å; I91-R103 PolarHBondContact N-O 2.8Å; I91-R103 PolarHBondContact O-N 3.44Å |
| 92 | Y | 95.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 62.9 Ų | 62.9 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 162.2 | -179.9 | 69.6 | -83.8 | 0 | 0 | 0 | 111.8 | L33 M53 S56 F90 L99 E100 | L33-Y92 HydrophobicContact CB-CD1 4.31Å; L33-Y92 HydrophobicContact CB-CE1 3.73Å; L33-Y92 HydrophobicContact CB-CE2 4.06Å; L33-Y92 HydrophobicContact CD1-CE2 4.08Å; L33-Y92 PolarHBondContact N-O 2.9Å; L33-Y92 PolarHBondContact O-N 2.94Å; M53-Y92 HydrophobicContact CE-CE1 4.33Å; M53-Y92 HydrophobicContact CE-CE2 4.47Å; M53-Y92 HydrophobicContact SD-CD1 4.16Å; M53-Y92 HydrophobicContact SD-CE1 3.49Å; M53-Y92 WeakPolarHBondContact SD-CE1 3.19Å; S56-Y92 PolarHBondContact OG-OH 2.86Å; F90-Y92 AromaticContact CD2-CD1 3.85Å; F90-Y92 HydrophobicContact CD2-CD1 3.85Å; F90-Y92 HydrophobicContact CD2-CG 4.41Å; F90-Y92 AromaticContact CE2-CD1 3.62Å; F90-Y92 HydrophobicContact CE2-CD1 3.62Å; F90-Y92 HydrophobicContact CE2-CE1 4.28Å; F90-Y92 HydrophobicContact CE2-CG 4.25Å; Y92-L99 HydrophobicContact CD2-CB 4.3Å; Y92-L99 HydrophobicContact CD2-CD1 4.39Å; Y92-L99 HydrophobicContact CD2-CD2 3.96Å; Y92-L99 HydrophobicContact CD2-CG 4.44Å; Y92-L99 HydrophobicContact CE2-CD1 4.16Å; Y92-L99 HydrophobicContact CE2-CD2 3.91Å; Y92-E100 CarbonylContact C-O 3.54Å; Y92-E100 WeakPolarHBondContact CA-O 3.14Å; Y92-E100 WeakPolarHBondContact CB-O 3.38Å |
| 93 | K | 94.2 | Very high | 94.7 | Very high | 59 Ų | 59 | 68.2 Ų | 68.2 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 160 | 173.3 | 64 | 168.7 | 178.5 | 179.5 | 0 | 110.7 | Q31 E100 L102 | Q31-K93 WeakPolarHBondContact O-CA 3.46Å; K93-E100 PolarHBondContact N-O 2.75Å; K93-E100 PolarHBondContact O-N 2.9Å; K93-L102 HydrophobicContact CB-CD1 4.14Å; K93-L102 HydrophobicContact CB-CG 4.41Å; K93-L102 HydrophobicContact CD-CD1 4.35Å; K93-L102 HydrophobicContact CD-CD2 3.79Å; K93-L102 HydrophobicContact CD-CG 4.32Å; K93-L102 HydrophobicContact CG-CD1 4.22Å; K93-L102 HydrophobicContact CG-CD2 3.96Å; K93-L102 HydrophobicContact CG-CG 4.04Å |
| 94 | K | 92.3 | Very high | 94.8 | Very high | 150 Ų | 150 | 63.7 Ų | 63.7 | 65% | 0.652 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.4 | 168 | -164.6 | 171.2 | -174.7 | 173.7 | 0 | 109.7 | ||
| 95 | S | 90.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 57 Ų | 57 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 170.8 | 177.8 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | K97 G98 E100 | S95-K97 PolarHBondContact O-N 2.89Å; S95-G98 WeakPolarHBondContact CA-O 3.4Å; S95-G98 WeakPolarHBondContact CB-O 3.43Å; S95-G98 PolarHBondContact N-O 2.86Å; S95-G98 PolarHBondContact O-N 3.29Å; S95-E100 PolarHBondContact OG-OE2 2.78Å |
| 96 | S | 90.1 | Very high | 94.9 | Very high | 126 Ų | 126 | 54.7 Ų | 54.7 | 88% | 0.881 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.3 | 177.5 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 97 | K | 89.6 | Confident | 94.8 | Very high | 205 Ų | 205 | 57.2 Ų | 57.2 | 89% | 0.891 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 5 | 179.7 | -62.5 | -176.5 | 179.3 | 177 | 0 | 114.2 | S95 | S95-K97 PolarHBondContact O-N 2.89Š|
| 98 | G | 92.9 | Very high | 94.6 | Very high | 37 Ų | 37 | 56 Ų | 56 | 38% | 0.381 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.2 | -156.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S95 | S95-G98 WeakPolarHBondContact CA-O 3.4Å; S95-G98 WeakPolarHBondContact CB-O 3.43Å; S95-G98 PolarHBondContact N-O 2.86Å; S95-G98 PolarHBondContact O-N 3.29Å |
| 99 | L | 95.3 | Very high | 94.3 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 20% | 0.199 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.5 | 179.6 | -58.4 | -179.5 | 0 | 0 | 0 | 110.2 | M53 L65 V67 F68 Y92 | M53-L99 HydrophobicContact CE-CD1 4.05Å; L65-L99 HydrophobicContact CB-CD1 4.14Å; L65-L99 HydrophobicContact CD1-CD1 4.19Å; V67-L99 HydrophobicContact CB-CB 4.41Å; V67-L99 HydrophobicContact CG1-CB 4.32Å; V67-L99 HydrophobicContact CG2-CB 4.01Å; V67-L99 HydrophobicContact CG2-CD1 4.03Å; F68-L99 WeakPolarHBondContact CB-O 3.44Å; F68-L99 PolarHBondContact N-O 3.05Å; Y92-L99 HydrophobicContact CD2-CB 4.3Å; Y92-L99 HydrophobicContact CD2-CD1 4.39Å; Y92-L99 HydrophobicContact CD2-CD2 3.96Å; Y92-L99 HydrophobicContact CD2-CG 4.44Å; Y92-L99 HydrophobicContact CE2-CD1 4.16Å; Y92-L99 HydrophobicContact CE2-CD2 3.91Å |
| 100 | E | 96.1 | Very high | 94.2 | Very high | 46 Ų | 46 | 55.7 Ų | 55.7 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.6 | -178.9 | 173.5 | -179.9 | -172.9 | 0 | 0 | 110.2 | F68 Y92 K93 S95 | F68-E100 HydrophobicContact CD1-CG 4.21Å; Y92-E100 CarbonylContact C-O 3.54Å; Y92-E100 WeakPolarHBondContact CA-O 3.14Å; Y92-E100 WeakPolarHBondContact CB-O 3.38Å; K93-E100 PolarHBondContact N-O 2.75Å; K93-E100 PolarHBondContact O-N 2.9Å; S95-E100 PolarHBondContact OG-OE2 2.78Å |
| 101 | S | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 137.2 | 173.7 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | F68 V69 I91 | F68-S101 WeakPolarHBondContact O-CB 3.29Å; F68-S101 PolarHBondContact O-N 2.85Å; F68-S101 PolarHBondContact O-OG 2.76Å; V69-S101 VanDerWaalsContact CA-OG 3.26Å; V69-S101 WeakPolarHBondContact CA-OG 3.06Å; V69-S101 WeakPolarHBondContact CB-OG 3.35Å; I91-S101 CarbonylContact O-C 3.49Å; I91-S101 WeakPolarHBondContact O-CA 3.32Å |
| 102 | L | 96.1 | Very high | 94 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -33.8 | 173.6 | -67.1 | 179.6 | 0 | 0 | 0 | 111.9 | V32 K73 I91 K93 | V32-L102 HydrophobicContact CG1-CD1 4.07Å; V32-L102 HydrophobicContact CG2-CD1 3.94Å; K73-L102 WeakPolarHBondContact CD-O 3.48Å; I91-L102 HydrophobicContact CG2-CB 4.32Å; I91-L102 HydrophobicContact CG2-CD1 4.26Å; I91-L102 PolarHBondContact O-N 3.44Å; K93-L102 HydrophobicContact CB-CD1 4.14Å; K93-L102 HydrophobicContact CB-CG 4.41Å; K93-L102 HydrophobicContact CD-CD1 4.35Å; K93-L102 HydrophobicContact CD-CD2 3.79Å; K93-L102 HydrophobicContact CD-CG 4.32Å; K93-L102 HydrophobicContact CG-CD1 4.22Å; K93-L102 HydrophobicContact CG-CD2 3.96Å; K93-L102 HydrophobicContact CG-CG 4.04Å |
| 103 | R | 96.1 | Very high | 93.8 | Very high | 115 Ų | 115 | 60.8 Ų | 60.8 | 43% | 0.434 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 136.2 | 179.4 | -173.2 | 175.6 | -176.9 | -94 | -0.8 | 108.7 | K73 V75 F90 I91 T105 | K73-R103 WeakPolarHBondContact O-CA 3.2Å; V75-R103 HydrophobicContact CG2-CG 3.64Å; F90-R103 CarbonylContact C-O 3.53Å; F90-R103 WeakPolarHBondContact CA-O 3.48Å; F90-R103 VanDerWaalsContact CB-O 3.27Å; F90-R103 WeakPolarHBondContact CB-O 3.31Å; I91-R103 PolarHBondContact N-O 2.8Å; I91-R103 PolarHBondContact O-N 3.44Å; R103-T105 VanDerWaalsContact NH1-CG2 3.35Å |
| 104 | V | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | I51 V69 K73 L74 V75 V88 F90 | I51-V104 HydrophobicContact CD1-CG1 3.99Å; I51-V104 HydrophobicContact CD1-CG2 4Å; V69-V104 HydrophobicContact CG2-CG2 3.76Å; K73-V104 PolarHBondContact O-N 2.79Å; L74-V104 HydrophobicContact CD2-CB 3.73Å; L74-V104 HydrophobicContact CD2-CG1 3.96Å; L74-V104 HydrophobicContact CD2-CG2 4.13Å; V75-V104 WeakPolarHBondContact CB-O 3.36Å; V75-V104 WeakPolarHBondContact CG2-O 3.34Å; V75-V104 PolarHBondContact N-O 2.93Å; V88-V104 HydrophobicContact CB-CG1 3.91Å; V88-V104 HydrophobicContact CG1-CG1 4.05Å; V88-V104 HydrophobicContact CG2-CG1 4.46Å; F90-V104 HydrophobicContact CB-CB 4.27Å; F90-V104 HydrophobicContact CB-CG1 4.3Å; F90-V104 HydrophobicContact CB-CG2 3.87Å |
| 105 | T | 97.2 | Very high | 93.4 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 164.8 | 177.2 | 44.4 | 0 | 0 | 0 | 0 | 110.1 | V75 V88 E89 R103 G110 | V75-T105 HydrophobicContact CB-CG2 3.69Å; V75-T105 HydrophobicContact CG1-CG2 4.08Å; V75-T105 HydrophobicContact CG2-CG2 3.72Å; V88-T105 WeakPolarHBondContact CA-O 3.26Å; E89-T105 PolarHBondContact N-O 3.15Å; E89-T105 PolarHBondContact O-N 2.77Å; E89-T105 VanDerWaalsContact O-O 3.13Å; E89-T105 PolarHBondContact O-OG1 2.97Å; R103-T105 VanDerWaalsContact NH1-CG2 3.35Å; T105-G110 WeakPolarHBondContact CB-O 3.25Å |
| 106 | G | 95.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | trans | -68.8 | 178.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G109 G110 | G106-G109 PolarHBondContact O-N 3.41Å; G106-G110 PolarHBondContact N-O 2.75Å | ||
| 107 | P | 93.1 | Very high | 92 | Very high | 74 Ų | 74 | 61.9 Ų | 61.9 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -58.8 | 139.9 | 176.5 | 26.2 | -34.3 | 0 | 0 | 0 | 111 | Q87 G109 | Q87-P107 WeakPolarHBondContact O-CD 3.49Å; P107-G109 VanDerWaalsContact C-N 3.26Å; P107-G109 PolarHBondContact O-N 3.04Å |
| 108 | G | 91.6 | Very high | 91 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 75% | 0.753 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 67.9 | 22.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E89 G110 | E89-G108 PolarHBondContact OE1-N 2.77Å; E89-G108 PolarHBondContact OE2-N 2.95Å; G108-G110 VanDerWaalsContact C-N 3.27Å; G108-G110 PolarHBondContact O-N 2.84Å |
| 109 | G | 92.3 | Very high | 89.6 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | 74.4 | 8.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | E89 G106 P107 | E89-G109 PolarHBondContact OE2-N 2.72Å; G106-G109 PolarHBondContact O-N 3.41Å; P107-G109 VanDerWaalsContact C-N 3.26Å; P107-G109 PolarHBondContact O-N 3.04Å |
| 110 | G | 93.6 | Very high | 87.9 | Confident | 26 Ų | 26 | 69 Ų | 69 | 27% | 0.268 | 38% | 0.377 | S | S | . | . | trans | -67.3 | 174.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T105 G106 G108 | T105-G110 WeakPolarHBondContact CB-O 3.25Å; G106-G110 PolarHBondContact N-O 2.75Å; G108-G110 VanDerWaalsContact C-N 3.27Å; G108-G110 PolarHBondContact O-N 2.84Å | ||
| 111 | P | 94.3 | Very high | 85.9 | Confident | 98 Ų | 98 | 69.1 Ų | 69.1 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | trans | -67.1 | 147.5 | 173.4 | 29.5 | -33.9 | 0 | 0 | 0 | 111.2 | V75 | V75-P111 VanDerWaalsContact O-CA 3.28Å; V75-P111 WeakPolarHBondContact O-CA 3.46Å | ||
| 112 | C | 94.2 | Very high | 84.1 | Confident | 8 Ų | 8 | 78.7 Ų | 78.7 | 5% | 0.054 | 43% | 0.431 | C | S | . | . | trans | -63.3 | 143.3 | 171.6 | -58 | 0 | 0 | 0 | 0 | 110.8 | V75 M76 L82 E86 | V75-C112 PolarHBondContact O-N 2.9Å; V75-C112 VanDerWaalsContact O-N 3.1Å; M76-C112 HydrophobicContact CB-CB 4.47Å; M76-C112 HydrophobicContact SD-CB 4.07Å; L82-C112 HydrophobicContact CD2-CB 3.83Å; E86-C112 WeakPolarHBondContact OE1-CA 3.43Å; E86-C112 WeakPolarHBondContact OE1-CB 3.17Å | ||
| 113 | A | 91.2 | Very high | 82.3 | Confident | 82 Ų | 82 | 81.6 Ų | 81.6 | 68% | 0.678 | 45% | 0.451 | S | S | * | . | trans | -69 | -42.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E86 | E86-A113 HydrophobicContact CG-CB 4.43Å; E86-A113 PolarHBondContact OE1-N 3.06Å | ||
| 114 | G | 89.7 | Confident | 80.2 | Confident | 10 Ų | 10 | 80.6 Ų | 80.6 | 10% | 0.103 | 46% | 0.459 | C | S | . | . | trans | 76.7 | 166.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | S81 E86 | S81-G114 WeakPolarHBondContact O-CA 3.05Å; E86-G114 PolarHBondContact OE2-N 3.21Å; E86-G114 VanDerWaalsContact OE2-N 3.12Å | ||
| 115 | S | 87.3 | Confident | 78.4 | Confident | 23 Ų | 23 | 88.2 Ų | 88.2 | 16% | 0.161 | 50% | 0.499 | C | S | . | . | trans | -73.3 | 130.2 | -173.4 | 70.2 | 0 | 0 | 0 | 0 | 112 | V44 S81 R117 | V44-S115 WeakPolarHBondContact CG2-OG 3.24Å; S81-S115 WeakPolarHBondContact OG-CB 3.38Å; S81-S115 PolarHBondContact OG-N 3.2Å; S81-S115 PolarHBondContact OG-OG 3.06Å; S115-R117 PolarHBondContact O-N 3.02Å; S115-R117 VanDerWaalsContact O-N 3.15Å; S115-R117 PolarHBondContact OG-O 3.24Å | ||
| 116 | E | 79.7 | Confident | 76.7 | Confident | 153 Ų | 153 | 95.1 Ų | 95.1 | 72% | 0.715 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -58.6 | -28.1 | 170.3 | -69.6 | 148.8 | 66.3 | 0 | 0 | 112.3 | K83 R118 | K83-E116 WeakPolarHBondContact CD-OE2 3.48Å; K83-E116 VanDerWaalsContact CE-OE2 3.24Å; K83-E116 WeakPolarHBondContact CE-OE2 3.41Å; K83-E116 IonicContact NZ-OE2 3.95Å; K83-E116 PolarHBondContact NZ-OE2 3.02Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.15Å |
| 117 | R | 73.3 | Confident | 74.9 | Confident | 210 Ų | 210 | 103 Ų | 103 | 79% | 0.792 | 57% | 0.569 | S | S | * | * | trans | -82 | 73.4 | 171.4 | -64.1 | -146.1 | -98.6 | -86.8 | 6.8 | 110.2 | S115 P119 | S115-R117 PolarHBondContact O-N 3.02Å; S115-R117 VanDerWaalsContact O-N 3.15Å; S115-R117 PolarHBondContact OG-O 3.24Å; R117-P119 VanDerWaalsContact O-N 3.12Å | ||
| 118 | R | 68.4 | Low | 73 | Confident | 170 Ų | 170 | 110.3 Ų | 110.3 | 64% | 0.642 | 59% | 0.587 | S | S | * | * | trans | -53.7 | 122.6 | 155 | -166.7 | 178.8 | -175 | 109.6 | -2.2 | 105.3 | F79 E116 K120 | F79-R118 HydrophobicContact CD1-CG 4.25Å; F79-R118 HydrophobicContact CG-CG 4.46Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.15Å; R118-K120 PolarHBondContact O-N 2.94Å | ||
| 119 | P | 62.2 | Low | 71.5 | Confident | 49 Ų | 49 | 114.9 Ų | 114.9 | 32% | 0.318 | 59% | 0.586 | S | S | . | * | trans | -56.4 | 126 | 172.4 | 24.2 | -22.4 | 0 | 0 | 0 | 102.4 | V44 F79 R117 G121 | V44-P119 VanDerWaalsContact CG1-CD 3.48Å; V44-P119 HydrophobicContact CG1-CG 3.9Å; F79-P119 VanDerWaalsContact CE1-CD 3.46Å; F79-P119 HydrophobicContact CE1-CG 4.22Å; F79-P119 HydrophobicContact CE2-CG 4.02Å; F79-P119 HydrophobicContact CZ-CG 3.6Å; R117-P119 VanDerWaalsContact O-N 3.12Å; P119-G121 PolarHBondContact O-N 2.6Å | ||
| 120 | K | 60.9 | Low | 70 | Confident | 211 Ų | 211 | 118 Ų | 118 | 92% | 0.917 | 60% | 0.6 | S | S | * | * | trans | -61 | 81.9 | 161 | -94.1 | 116.7 | 171.5 | 174.6 | 0 | 103.3 | R118 K122 | R118-K120 PolarHBondContact O-N 2.94Å; K120-K122 PolarHBondContact O-N 3.22Å | ||
| 121 | G | 54.2 | Low | 68.6 | Low | 48 Ų | 48 | 127.1 Ų | 127.1 | 50% | 0.495 | 63% | 0.632 | S | S | . | * | trans | -46.5 | 133.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 102.2 | P119 V123 | P119-G121 PolarHBondContact O-N 2.6Å; G121-V123 PolarHBondContact O-N 2.58Å | ||
| 122 | K | 58.1 | Low | 67.2 | Low | 202 Ų | 202 | 124.2 Ų | 124.2 | 88% | 0.878 | 62% | 0.62 | S | S | * | * | trans | -48.3 | 89.2 | 146.6 | -55.2 | 176.2 | -172.9 | -175.6 | 0 | 103.5 | K120 P124 | K120-K122 PolarHBondContact O-N 3.22Å; K122-P124 WeakPolarHBondContact O-CD 3.37Å | ||
| 123 | V | 58.6 | Low | 66.2 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 70% | 0.697 | 64% | 0.637 | S | S | * | * | trans | -39.3 | 122.2 | 143.4 | -76.5 | 0 | 0 | 0 | 0 | 101.2 | G121 L125 | G121-V123 PolarHBondContact O-N 2.58Å; V123-L125 PolarHBondContact O-N 2.97Å | ||
| 124 | P | 51.6 | Low | 65.9 | Low | 94 Ų | 94 | 128 Ų | 128 | 61% | 0.61 | 62% | 0.621 | S | S | * | * | trans | -40.5 | 127.8 | 164.4 | -28.8 | 36.1 | 0 | 0 | 0 | 104.6 | K122 L126 | K122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-L126 HydrophobicContact CB-CB 4.32Å; P124-L126 HydrophobicContact CB-CD1 3.8Å; P124-L126 HydrophobicContact CB-CG 3.67Å; P124-L126 PolarHBondContact O-N 2.82Å | ||
| 125 | L | 59.3 | Low | 65.8 | Low | 160 Ų | 160 | 127.6 Ų | 127.6 | 84% | 0.838 | 62% | 0.617 | S | S | * | * | trans | -62.5 | 38.2 | 173 | -98.6 | 158.1 | 0 | 0 | 0 | 109.4 | V123 K127 | V123-L125 PolarHBondContact O-N 2.97Å; L125-K127 PolarHBondContact O-N 2.62Å | ||
| 126 | L | 61.8 | Low | 65.8 | Low | 152 Ų | 152 | 133.1 Ų | 133.1 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -70 | 80 | 161.9 | -61.6 | 178.5 | 0 | 0 | 0 | 105.8 | P124 | P124-L126 HydrophobicContact CB-CB 4.32Å; P124-L126 HydrophobicContact CB-CD1 3.8Å; P124-L126 HydrophobicContact CB-CG 3.67Å; P124-L126 PolarHBondContact O-N 2.82Å |
| 127 | K | 58.3 | Low | 66.2 | Low | 166 Ų | 166 | 127 Ų | 127 | 72% | 0.722 | 61% | 0.607 | S | S | * | * | trans | 63.4 | 78.3 | 159.2 | -119.9 | 105.5 | 171.3 | -177.9 | 0 | 114.1 | L125 K129 | L125-K127 PolarHBondContact O-N 2.62Å; K127-K129 HydrophobicContact CG-CB 4.05Å; K127-K129 HydrophobicContact CG-CG 4.05Å; K127-K129 PolarHBondContact O-N 3.09Å | ||
| 128 | R | 52.9 | Low | 66.9 | Low | 228 Ų | 228 | 119 Ų | 119 | 86% | 0.86 | 58% | 0.583 | S | S | * | * | -65 | 83.3 | 126.1 | -70.3 | -171.1 | 82.4 | 135.3 | 1.5 | 105.1 | P130 | R128-P130 WeakPolarHBondContact O-CD 3.5Š| |||
| 129 | K | 60.3 | Low | 67.6 | Low | 169 Ų | 169 | 112 Ų | 112 | 74% | 0.735 | 56% | 0.563 | S | S | * | * | trans | -47 | 117.7 | 168.9 | -143.6 | 163 | 170.6 | 177.4 | 0 | 104.1 | K127 K131 | K127-K129 HydrophobicContact CG-CB 4.05Å; K127-K129 HydrophobicContact CG-CG 4.05Å; K127-K129 PolarHBondContact O-N 3.09Å; K129-K131 PolarHBondContact O-N 2.84Å; K129-K131 VanDerWaalsContact O-N 3.09Å | ||
| 130 | P | 60.5 | Low | 68.7 | Low | 105 Ų | 105 | 110.8 Ų | 110.8 | 68% | 0.682 | 56% | 0.56 | S | S | * | * | trans | -53.2 | 127.3 | -179.5 | 20.6 | -30.6 | 0 | 0 | 0 | 106.6 | R128 G132 | R128-P130 WeakPolarHBondContact O-CD 3.5Å; P130-G132 VanDerWaalsContact C-N 3.28Å; P130-G132 PolarHBondContact O-N 3.19Å | ||
| 131 | K | 63.3 | Low | 69.9 | Low | 217 Ų | 217 | 106.6 Ų | 106.6 | 94% | 0.943 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 94 | -176.7 | -176.9 | 175.1 | 179 | 177 | 0 | 107.9 | K129 | K129-K131 PolarHBondContact O-N 2.84Å; K129-K131 VanDerWaalsContact O-N 3.09Å |
| 132 | G | 64.9 | Low | 71.4 | Confident | 37 Ų | 37 | 111.9 Ų | 111.9 | 38% | 0.381 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 79.9 | 76.5 | 163 | 0 | 0 | 0 | 0 | 0 | 115 | P130 R134 | P130-G132 VanDerWaalsContact C-N 3.28Å; P130-G132 PolarHBondContact O-N 3.19Å; G132-R134 PolarHBondContact O-N 3.47Å |
| 133 | D | 73.4 | Confident | 72.8 | Confident | 78 Ų | 78 | 104.7 Ų | 104.7 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | trans | -77.6 | 69.4 | 144.7 | -162.2 | 6.3 | 0 | 0 | 0 | 108.7 | H144 | D133-H144 VanDerWaalsContact CG-NE2 3.26Å; D133-H144 IonicContact OD1-CD2 3.61Å; D133-H144 PolarHBondContact OD1-CD2 3.19Å; D133-H144 IonicContact OD1-CE1 2.75Å; D133-H144 IonicContact OD1-NE2 2.76Å; D133-H144 PolarHBondContact OD1-NE2 3.25Å; D133-H144 IonicContact OD2-CE1 2.95Å; D133-H144 PolarHBondContact OD2-CE1 2.98Å; D133-H144 IonicContact OD2-ND1 2.94Å; D133-H144 IonicContact OD2-NE2 2.72Å; D133-H144 PolarHBondContact OD2-NE2 3.26Å | ||
| 134 | R | 85.7 | Confident | 74.2 | Confident | 92 Ų | 92 | 102.4 Ų | 102.4 | 35% | 0.347 | 52% | 0.515 | S | S | . | . | trans | -88.8 | 136 | 178.7 | -78.1 | -176.6 | -65.1 | 175.4 | 2.5 | 107.8 | G132 Y136 G139 G140 L141 | G132-R134 PolarHBondContact O-N 3.47Å; R134-Y136 PolarHBondContact O-N 3Å; R134-Y136 VanDerWaalsContact O-N 3.11Å; R134-G139 WeakPolarHBondContact CG-O 3.16Å; R134-G140 CarbonylContact C-O 3.55Å; R134-G140 WeakPolarHBondContact CA-O 3.13Å; R134-L141 HydrophobicContact CG-CD2 3.48Å; R134-L141 VanDerWaalsContact CG-CD2 3.48Å; R134-L141 HydrophobicContact CG-CG 4.49Å | ||
| 135 | C | 87.5 | Confident | 76 | Confident | 1 Ų | 1 | 99.9 Ų | 99.9 | 1% | 0.007 | 50% | 0.502 | C | S | . | . | trans | -46.9 | 120.4 | 169.6 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | N137 C138 G139 G140 H143 C148 | C135-N137 PolarHBondContact O-N 2.79Å; C135-N137 VanDerWaalsContact O-N 3.15Å; C135-N137 PolarHBondContact SG-N 3.25Å; C135-N137 VanDerWaalsContact SG-N 3.44Å; C135-C138 PolarHBondContact SG-N 2.82Å; C135-C138 VanDerWaalsContact SG-N 3.43Å; C135-G139 WeakPolarHBondContact O-CA 3.47Å; C135-G139 PolarHBondContact O-N 3.47Å; C135-G140 PolarHBondContact N-O 3.5Å; C135-H143 VanDerWaalsContact CB-O 3.32Å; C135-H143 WeakPolarHBondContact CB-O 3.4Å; C135-H143 VanDerWaalsContact SG-CD2 3.59Å; C135-H143 PolarHBondContact SG-NE2 2.98Å; C135-H143 VanDerWaalsContact SG-NE2 3.41Å; C135-C148 VanDerWaalsContact SG-SG 3.65Å | ||
| 136 | Y | 86.6 | Confident | 77.5 | Confident | 139 Ų | 139 | 100 Ų | 100 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15 | -179.8 | -60.2 | -60.7 | 0 | 0 | 0 | 113.7 | R134 H158 | R134-Y136 PolarHBondContact O-N 3Å; R134-Y136 VanDerWaalsContact O-N 3.11Å; Y136-H158 AromaticContact CD1-CE1 3.29Å; Y136-H158 WeakPolarHBondContact CD1-CE1 3.38Å; Y136-H158 AromaticContact CD1-ND1 3.59Å; Y136-H158 AromaticContact CE1-CE1 3.88Å; Y136-H158 AromaticContact CE1-ND1 3.94Å |
| 137 | N | 87.8 | Confident | 78.8 | Confident | 25 Ų | 25 | 98.2 Ų | 98.2 | 13% | 0.134 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -61.7 | 177.4 | -162.5 | 35.9 | 0 | 0 | 0 | 111.4 | C135 A145 C148 L150 P151 Q153 | C135-N137 PolarHBondContact O-N 2.79Å; C135-N137 VanDerWaalsContact O-N 3.15Å; C135-N137 PolarHBondContact SG-N 3.25Å; C135-N137 VanDerWaalsContact SG-N 3.44Å; N137-A145 HydrophobicContact CB-CB 4.23Å; N137-C148 HydrophobicContact CB-CB 4.11Å; N137-L150 PolarHBondContact ND2-O 3.04Å; N137-P151 PolarHBondContact ND2-O 2.77Å; N137-Q153 WeakPolarHBondContact OD1-CB 3.39Å; N137-Q153 PolarHBondContact OD1-N 3.43Å |
| 138 | C | 87.8 | Confident | 80.4 | Confident | 41 Ų | 41 | 91.2 Ų | 91.2 | 28% | 0.277 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -24.5 | -174.6 | 73.4 | 0 | 0 | 0 | 0 | 114.2 | C135 G140 H143 L150 K156 | C135-C138 PolarHBondContact SG-N 2.82Å; C135-C138 VanDerWaalsContact SG-N 3.43Å; C138-G140 PolarHBondContact SG-N 3.25Å; C138-H143 PolarHBondContact SG-CE1 2.83Å; C138-H143 PolarHBondContact SG-NE2 3.2Å; C138-L150 HydrophobicContact CB-CD1 3.64Å; C138-L150 HydrophobicContact CB-CG 4.49Å; C138-K156 PolarHBondContact O-NZ 3.38Å |
| 139 | G | 83.9 | Confident | 82.2 | Confident | 22 Ų | 22 | 84.4 Ų | 84.4 | 23% | 0.227 | 46% | 0.455 | C | S | . | . | trans | 91 | 2.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R134 C135 | R134-G139 WeakPolarHBondContact CG-O 3.16Å; C135-G139 WeakPolarHBondContact O-CA 3.47Å; C135-G139 PolarHBondContact O-N 3.47Å | ||
| 140 | G | 85.9 | Confident | 83.5 | Confident | 24 Ų | 24 | 80.8 Ų | 80.8 | 25% | 0.247 | 44% | 0.444 | C | S | . | . | trans | -60.6 | 153.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | R134 C135 C138 | R134-G140 CarbonylContact C-O 3.55Å; R134-G140 WeakPolarHBondContact CA-O 3.13Å; C135-G140 PolarHBondContact N-O 3.5Å; C138-G140 PolarHBondContact SG-N 3.25Å | ||
| 141 | L | 85.8 | Confident | 84.9 | Confident | 124 Ų | 124 | 80 Ų | 80 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -95.8 | -11.7 | -174.5 | -66.4 | 170.4 | 0 | 0 | 0 | 113.7 | R134 | R134-L141 HydrophobicContact CG-CD2 3.48Å; R134-L141 VanDerWaalsContact CG-CD2 3.48Å; R134-L141 HydrophobicContact CG-CG 4.49Å |
| 142 | D | 84.8 | Confident | 86.2 | Confident | 158 Ų | 158 | 75.7 Ų | 75.7 | 85% | 0.845 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -105.4 | 2.6 | -168.2 | -53.5 | -66.8 | 0 | 0 | 0 | 113.5 | ||
| 143 | H | 87.9 | Confident | 87.4 | Confident | 51 Ų | 51 | 78.2 Ų | 78.2 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | trans | -155.5 | 161.1 | 177.9 | 62.3 | -86.8 | 0 | 0 | 0 | 111.7 | C135 C138 E147 C148 | C135-H143 VanDerWaalsContact CB-O 3.32Å; C135-H143 WeakPolarHBondContact CB-O 3.4Å; C135-H143 VanDerWaalsContact SG-CD2 3.59Å; C135-H143 PolarHBondContact SG-NE2 2.98Å; C135-H143 VanDerWaalsContact SG-NE2 3.41Å; C138-H143 PolarHBondContact SG-CE1 2.83Å; C138-H143 PolarHBondContact SG-NE2 3.2Å; H143-E147 HydrophobicContact CB-CB 4.17Å; H143-C148 PolarHBondContact NE2-SG 3.21Å | ||
| 144 | H | 89.3 | Confident | 88.1 | Confident | 68 Ų | 68 | 78.5 Ų | 78.5 | 32% | 0.315 | 44% | 0.441 | S | S | . | . | trans | -92.3 | 163.6 | 169.4 | -78.4 | 92.7 | 0 | 0 | 0 | 111.5 | D133 K146 E147 C148 | D133-H144 VanDerWaalsContact CG-NE2 3.26Å; D133-H144 IonicContact OD1-CD2 3.61Å; D133-H144 PolarHBondContact OD1-CD2 3.19Å; D133-H144 IonicContact OD1-CE1 2.75Å; D133-H144 IonicContact OD1-NE2 2.76Å; D133-H144 PolarHBondContact OD1-NE2 3.25Å; D133-H144 IonicContact OD2-CE1 2.95Å; D133-H144 PolarHBondContact OD2-CE1 2.98Å; D133-H144 IonicContact OD2-ND1 2.94Å; D133-H144 IonicContact OD2-NE2 2.72Å; D133-H144 PolarHBondContact OD2-NE2 3.26Å; H144-K146 HydrophobicContact CB-CG 4.15Å; H144-K146 PolarHBondContact O-N 3.18Å; H144-E147 PolarHBondContact O-N 3.33Å; H144-C148 PolarHBondContact O-N 3.29Å | ||
| 145 | A | 89.1 | Confident | 88.1 | Confident | 41 Ų | 41 | 81.7 Ų | 81.7 | 34% | 0.339 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -54.1 | -28.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N137 E147 C148 | N137-A145 HydrophobicContact CB-CB 4.23Å; A145-E147 PolarHBondContact O-N 3.32Å; A145-C148 WeakPolarHBondContact O-CB 3.43Å; A145-C148 PolarHBondContact O-N 3.29Å |
| 146 | K | 90.3 | Very high | 88.3 | Confident | 163 Ų | 163 | 83.9 Ų | 83.9 | 71% | 0.709 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -66.7 | -22.1 | 176.4 | 70.7 | -177.3 | -161.9 | -65.8 | 0 | 114.5 | H144 | H144-K146 HydrophobicContact CB-CG 4.15Å; H144-K146 PolarHBondContact O-N 3.18Å |
| 147 | E | 89.4 | Confident | 88.4 | Confident | 113 Ų | 113 | 77.3 Ų | 77.3 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -111.6 | 7.4 | -179.5 | -71.9 | 146.3 | -131.9 | 0 | 0 | 111.3 | H143 H144 A145 G149 | H143-E147 HydrophobicContact CB-CB 4.17Å; H144-E147 PolarHBondContact O-N 3.33Å; A145-E147 PolarHBondContact O-N 3.32Å; E147-G149 PolarHBondContact O-N 3.02Å |
| 148 | C | 90.4 | Very high | 88.3 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 14% | 0.135 | 46% | 0.455 | C | S | . | . | trans | -76.8 | 116.7 | -177.9 | -167 | 0 | 0 | 0 | 0 | 110.1 | C135 N137 H143 H144 A145 L150 | C135-C148 VanDerWaalsContact SG-SG 3.65Å; N137-C148 HydrophobicContact CB-CB 4.11Å; H143-C148 PolarHBondContact NE2-SG 3.21Å; H144-C148 PolarHBondContact O-N 3.29Å; A145-C148 WeakPolarHBondContact O-CB 3.43Å; A145-C148 PolarHBondContact O-N 3.29Å; C148-L150 PolarHBondContact O-N 3.01Å | ||
| 149 | G | 91.2 | Very high | 88.1 | Confident | 84 Ų | 84 | 84.2 Ų | 84.2 | 87% | 0.866 | 46% | 0.464 | S | S | * | . | trans | -72.3 | -5.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E147 | E147-G149 PolarHBondContact O-N 3.02Š| ||
| 150 | L | 88.4 | Confident | 88.3 | Confident | 94 Ų | 94 | 85.1 Ų | 85.1 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -79.8 | 144.4 | 172.7 | -63.3 | -172.2 | 0 | 0 | 0 | 110.3 | N137 C138 C148 | N137-L150 PolarHBondContact ND2-O 3.04Å; C138-L150 HydrophobicContact CB-CD1 3.64Å; C138-L150 HydrophobicContact CB-CG 4.49Å; C148-L150 PolarHBondContact O-N 3.01Å |
| 151 | P | 89.7 | Confident | 88.3 | Confident | 87 Ų | 87 | 89 Ų | 89 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | trans | -57.4 | 154.9 | 171.6 | 25.8 | -33.3 | 0 | 0 | 0 | 110.2 | N137 Q153 | N137-P151 PolarHBondContact ND2-O 2.77Å; P151-Q153 WeakPolarHBondContact O-CG 3.32Å; P151-Q153 PolarHBondContact O-N 3.41Å; P151-Q153 PolarHBondContact O-NE2 3.44Å | ||
| 152 | P | 90.8 | Very high | 88.5 | Confident | 127 Ų | 127 | 84.7 Ų | 84.7 | 83% | 0.825 | 46% | 0.458 | S | S | * | . | trans | -52.6 | 115.1 | 179.1 | -26.7 | 34.8 | 0 | 0 | 0 | 111.8 | ||||
| 153 | Q | 88.9 | Confident | 88.7 | Confident | 90 Ų | 90 | 82.9 Ų | 82.9 | 42% | 0.421 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 153.7 | 178.9 | -63.3 | -56.6 | -57.3 | 0 | 0 | 110.2 | N137 P151 K155 | N137-Q153 WeakPolarHBondContact OD1-CB 3.39Å; N137-Q153 PolarHBondContact OD1-N 3.43Å; P151-Q153 WeakPolarHBondContact O-CG 3.32Å; P151-Q153 PolarHBondContact O-N 3.41Å; P151-Q153 PolarHBondContact O-NE2 3.44Å; Q153-K155 PolarHBondContact O-N 2.95Å |
| 154 | P | 88.5 | Confident | 88.9 | Confident | 84 Ų | 84 | 86.5 Ų | 86.5 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 136.7 | 173.8 | 24 | -33.7 | 0 | 0 | 0 | 110.6 | K156 I163 | P154-K156 PolarHBondContact O-N 2.94Å; P154-I163 HydrophobicContact CG-CG2 4.39Å |
| 155 | K | 86.7 | Confident | 88.9 | Confident | 160 Ų | 160 | 84.9 Ų | 84.9 | 70% | 0.696 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 127.9 | -177.5 | -66.6 | -174.4 | -179.2 | 175.1 | 0 | 109.8 | Q153 | Q153-K155 PolarHBondContact O-N 2.95Š|
| 156 | K | 90.6 | Very high | 88.9 | Confident | 47 Ų | 47 | 87.6 Ų | 87.6 | 20% | 0.204 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 149.7 | 176.8 | 61.2 | -172.5 | 172.8 | -169.4 | 0 | 111.7 | C138 P154 H158 Q161 S162 I163 | C138-K156 PolarHBondContact O-NZ 3.38Å; P154-K156 PolarHBondContact O-N 2.94Å; K156-H158 PolarHBondContact O-N 2.86Å; K156-Q161 HydrophobicContact CD-CB 4.38Å; K156-S162 CarbonylContact C-O 3.58Å; K156-S162 VanDerWaalsContact CA-O 3.27Å; K156-S162 WeakPolarHBondContact CA-O 3.29Å; K156-I163 HydrophobicContact CB-CG2 4.44Å |
| 157 | C | 88.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 121.9 | 168.1 | 178 | 0 | 0 | 0 | 0 | 110.3 | Y159 C160 Q161 S162 H165 | C157-Y159 PolarHBondContact O-N 3.15Å; C157-Y159 VanDerWaalsContact O-N 3.12Å; C157-Y159 PolarHBondContact SG-N 3.11Å; C157-Y159 VanDerWaalsContact SG-N 3.43Å; C157-C160 VanDerWaalsContact SG-SG 3.65Å; C157-Q161 WeakPolarHBondContact O-CA 3.37Å; C157-Q161 PolarHBondContact O-N 3.16Å; C157-S162 PolarHBondContact N-O 3.43Å; C157-H165 WeakPolarHBondContact CB-O 3.27Å |
| 158 | H | 86 | Confident | 88.9 | Confident | 92 Ų | 92 | 81.3 Ų | 81.3 | 43% | 0.426 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12.9 | 179.5 | -58.9 | -73.6 | 0 | 0 | 0 | 113.8 | Y136 K156 | Y136-H158 AromaticContact CD1-CE1 3.29Å; Y136-H158 WeakPolarHBondContact CD1-CE1 3.38Å; Y136-H158 AromaticContact CD1-ND1 3.59Å; Y136-H158 AromaticContact CE1-CE1 3.88Å; Y136-H158 AromaticContact CE1-ND1 3.94Å; K156-H158 PolarHBondContact O-N 2.86Å |
| 159 | Y | 84.3 | Confident | 88.9 | Confident | 119 Ų | 119 | 87.2 Ų | 87.2 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -63.9 | 177.7 | -170.2 | -92.8 | 0 | 0 | 0 | 111.8 | C157 H172 | C157-Y159 PolarHBondContact O-N 3.15Å; C157-Y159 VanDerWaalsContact O-N 3.12Å; C157-Y159 PolarHBondContact SG-N 3.11Å; C157-Y159 VanDerWaalsContact SG-N 3.43Å; Y159-H172 HydrophobicContact CD1-CB 3.89Å; Y159-H172 HydrophobicContact CE1-CB 3.61Å; Y159-H172 WeakPolarHBondContact CE1-O 3.31Å |
| 160 | C | 87.6 | Confident | 88.8 | Confident | 41 Ų | 41 | 83.5 Ų | 83.5 | 28% | 0.277 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -1.3 | -175.5 | 68.5 | 0 | 0 | 0 | 0 | 115 | C157 S162 H165 C170 | C157-C160 VanDerWaalsContact SG-SG 3.65Å; C160-S162 PolarHBondContact O-N 2.78Å; C160-H165 VanDerWaalsContact SG-CE1 3.59Å; C160-H165 PolarHBondContact SG-NE2 3.29Å; C160-C170 PolarHBondContact SG-SG 3.22Å |
| 161 | Q | 86.5 | Confident | 88.8 | Confident | 107 Ų | 107 | 83 Ų | 83 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | trans | 66.8 | 11.4 | -179.9 | -57.3 | 157 | 72 | 0 | 0 | 115.5 | K156 C157 | K156-Q161 HydrophobicContact CD-CB 4.38Å; C157-Q161 WeakPolarHBondContact O-CA 3.37Å; C157-Q161 PolarHBondContact O-N 3.16Å | ||
| 162 | S | 89.8 | Confident | 88.5 | Confident | 33 Ų | 33 | 84.3 Ų | 84.3 | 23% | 0.231 | 45% | 0.452 | C | S | . | . | trans | -63.4 | 140.9 | 171.3 | 179 | 0 | 0 | 0 | 0 | 111.9 | K156 C157 C160 T164 H165 | K156-S162 CarbonylContact C-O 3.58Å; K156-S162 VanDerWaalsContact CA-O 3.27Å; K156-S162 WeakPolarHBondContact CA-O 3.29Å; C157-S162 PolarHBondContact N-O 3.43Å; C160-S162 PolarHBondContact O-N 2.78Å; S162-T164 PolarHBondContact OG-N 3.12Å; S162-T164 VanDerWaalsContact OG-N 3.16Å; S162-H165 WeakPolarHBondContact CB-CE1 3.47Å; S162-H165 PolarHBondContact OG-CE1 3.46Å; S162-H165 PolarHBondContact OG-ND1 3.33Å | ||
| 163 | I | 88.4 | Confident | 88 | Confident | 119 Ų | 119 | 84 Ų | 84 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -87 | -10.5 | 172.7 | 59.6 | 169.3 | 0 | 0 | 0 | 113.2 | P154 K156 | P154-I163 HydrophobicContact CG-CG2 4.39Å; K156-I163 HydrophobicContact CB-CG2 4.44Å |
| 164 | T | 92.7 | Very high | 87 | Confident | 128 Ų | 128 | 84.2 Ų | 84.2 | 79% | 0.785 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -84.6 | -24.5 | -172.2 | -42.9 | 0 | 0 | 0 | 0 | 112.5 | S162 | S162-T164 PolarHBondContact OG-N 3.12Å; S162-T164 VanDerWaalsContact OG-N 3.16Å |
| 165 | H | 89 | Confident | 85.8 | Confident | 33 Ų | 33 | 87.8 Ų | 87.8 | 15% | 0.153 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -142.2 | 157.1 | -178.5 | 62.1 | -94.6 | 0 | 0 | 0 | 111.2 | C157 C160 S162 Q169 C170 | C157-H165 WeakPolarHBondContact CB-O 3.27Å; C160-H165 VanDerWaalsContact SG-CE1 3.59Å; C160-H165 PolarHBondContact SG-NE2 3.29Å; S162-H165 WeakPolarHBondContact CB-CE1 3.47Å; S162-H165 PolarHBondContact OG-CE1 3.46Å; S162-H165 PolarHBondContact OG-ND1 3.33Å; H165-Q169 HydrophobicContact CB-CB 4.25Å; H165-C170 VanDerWaalsContact CD2-CA 3.4Å; H165-C170 WeakPolarHBondContact CD2-CA 3.4Å; H165-C170 WeakPolarHBondContact NE2-CA 3.47Å; H165-C170 PolarHBondContact NE2-SG 3.4Å |
| 166 | M | 90.3 | Very high | 84.4 | Confident | 99 Ų | 99 | 82.6 Ų | 82.6 | 49% | 0.488 | 46% | 0.455 | S | S | . | . | trans | -90.1 | 166.6 | 170.7 | -67 | -172 | 68.8 | 0 | 0 | 111.1 | A168 Q169 C170 | M166-A168 PolarHBondContact O-N 3.4Å; M166-Q169 CarbonylContact O-C 3.58Å; M166-Q169 PolarHBondContact O-N 3.33Å; M166-C170 PolarHBondContact O-N 2.9Å | ||
| 167 | V | 90.1 | Very high | 82.4 | Confident | 51 Ų | 51 | 86.3 Ų | 86.3 | 31% | 0.309 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -54.3 | -27.9 | -177.7 | 66.5 | 0 | 0 | 0 | 0 | 114.1 | Q169 C170 K173 | V167-Q169 PolarHBondContact O-N 3.36Å; V167-C170 PolarHBondContact O-N 3.03Å; V167-K173 HydrophobicContact CG2-CD 3.91Å |
| 168 | A | 88.8 | Confident | 80.2 | Confident | 93 Ų | 93 | 91.3 Ų | 91.3 | 77% | 0.769 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -64.7 | -26.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M166 | M166-A168 PolarHBondContact O-N 3.4Š|
| 169 | Q | 89.6 | Confident | 78.4 | Confident | 144 Ų | 144 | 91.9 Ų | 91.9 | 67% | 0.673 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -116.1 | 19.9 | -177.6 | -66.2 | 147.8 | -11.8 | 0 | 0 | 111 | H165 M166 V167 P171 | H165-Q169 HydrophobicContact CB-CB 4.25Å; M166-Q169 CarbonylContact O-C 3.58Å; M166-Q169 PolarHBondContact O-N 3.33Å; V167-Q169 PolarHBondContact O-N 3.36Å; Q169-P171 VanDerWaalsContact O-CD 3.24Å; Q169-P171 WeakPolarHBondContact O-CD 3.24Å |
| 170 | C | 90.2 | Very high | 76.6 | Confident | 6 Ų | 6 | 89.4 Ų | 89.4 | 4% | 0.041 | 56% | 0.556 | C | S | . | * | trans | -74.5 | 114.5 | -176.5 | -172.4 | 0 | 0 | 0 | 0 | 110.8 | C160 H165 M166 V167 H172 K173 | C160-C170 PolarHBondContact SG-SG 3.22Å; H165-C170 VanDerWaalsContact CD2-CA 3.4Å; H165-C170 WeakPolarHBondContact CD2-CA 3.4Å; H165-C170 WeakPolarHBondContact NE2-CA 3.47Å; H165-C170 PolarHBondContact NE2-SG 3.4Å; M166-C170 PolarHBondContact O-N 2.9Å; V167-C170 PolarHBondContact O-N 3.03Å; C170-H172 PolarHBondContact O-N 2.96Å; C170-K173 HydrophobicContact CB-CB 3.96Å; C170-K173 WeakPolarHBondContact O-CB 3.49Å; C170-K173 PolarHBondContact O-N 3.41Å | ||
| 171 | P | 88.3 | Confident | 74.8 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.4 | -26.7 | -179.4 | 26.7 | -33.9 | 0 | 0 | 0 | 111.5 | Q169 K173 | Q169-P171 VanDerWaalsContact O-CD 3.24Å; Q169-P171 WeakPolarHBondContact O-CD 3.24Å; P171-K173 VanDerWaalsContact C-N 3.34Å; P171-K173 PolarHBondContact O-N 2.73Å |
| 172 | H | 83.8 | Confident | 72.7 | Confident | 113 Ų | 113 | 97.6 Ų | 97.6 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -76.1 | -18.3 | 176.6 | -58 | -82.1 | 0 | 0 | 0 | 113.7 | Y159 C170 | Y159-H172 HydrophobicContact CD1-CB 3.89Å; Y159-H172 HydrophobicContact CE1-CB 3.61Å; Y159-H172 WeakPolarHBondContact CE1-O 3.31Å; C170-H172 PolarHBondContact O-N 2.96Å |
| 173 | K | 79.3 | Confident | 70.3 | Confident | 122 Ų | 122 | 102.2 Ų | 102.2 | 53% | 0.53 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -79.4 | -28.8 | 178.2 | -176.9 | 171.6 | 178.2 | -81.3 | 0 | 112.1 | V167 C170 P171 L175 | V167-K173 HydrophobicContact CG2-CD 3.91Å; C170-K173 HydrophobicContact CB-CB 3.96Å; C170-K173 WeakPolarHBondContact O-CB 3.49Å; C170-K173 PolarHBondContact O-N 3.41Å; P171-K173 VanDerWaalsContact C-N 3.34Å; P171-K173 PolarHBondContact O-N 2.73Å; K173-L175 VanDerWaalsContact C-N 3.34Å |
| 174 | A | 67.4 | Low | 68.6 | Low | 93 Ų | 93 | 103.4 Ų | 103.4 | 77% | 0.769 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76.9 | -18.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 175 | L | 65.2 | Low | 66.4 | Low | 160 Ų | 160 | 105.2 Ų | 105.2 | 84% | 0.838 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 6.3 | -177.2 | -145.7 | 74.9 | 0 | 0 | 0 | 113.9 | K173 | K173-L175 VanDerWaalsContact C-N 3.34Š|
| 176 | A | 57.3 | Low | 64 | Low | 50 Ų | 50 | 107.6 Ų | 107.6 | 41% | 0.413 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -78.2 | 133.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A178 | A176-A178 PolarHBondContact O-N 2.9Š|
| 177 | P | 47.1 | Very low | 61.6 | Low | 126 Ų | 126 | 108.1 Ų | 108.1 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -62.4 | 122.8 | 177.7 | 24.7 | -32 | 0 | 0 | 0 | 109.6 | A179 | P177-A179 PolarHBondContact O-N 3.36Š| ||
| 178 | A | 43.7 | Very low | 59.4 | Low | 104 Ų | 104 | 112 Ų | 112 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | trans | -67.5 | 98.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A176 G180 | A176-A178 PolarHBondContact O-N 2.9Å; A178-G180 PolarHBondContact O-N 3.01Å | ||
| 179 | A | 46.7 | Very low | 57.1 | Low | 104 Ų | 104 | 113.5 Ų | 113.5 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -81.2 | 93.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P177 | P177-A179 PolarHBondContact O-N 3.36Š| ||
| 180 | G | 46.3 | Very low | 54.8 | Low | 67 Ų | 67 | 111.1 Ų | 111.1 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | trans | 66.5 | 111.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | A178 | A178-G180 PolarHBondContact O-N 3.01Š| ||
| 181 | S | 50.1 | Low | 52.2 | Low | 121 Ų | 121 | 116.8 Ų | 116.8 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | 170.2 | 114.3 | 124.3 | -99.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 182 | Q | 41.9 | Very low | 49.9 | Very low | 199 Ų | 199 | 117.2 Ų | 117.2 | 93% | 0.93 | 75% | 0.752 | S | S | * | * | trans | -170.7 | 116.7 | 133.8 | -102.9 | 161.1 | -1.2 | 0 | 0 | 110.8 | ||||
| 183 | D | 40.5 | Very low | 48.4 | Very low | 131 Ų | 131 | 117.9 Ų | 117.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -98 | 149.1 | 165.5 | 177.3 | -131.2 | 0 | 0 | 0 | 107.4 | ||||
| 184 | Q | 51.9 | Low | 46.3 | Very low | 143 Ų | 143 | 115.3 Ų | 115.3 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | 77 | 138.7 | 167.4 | -39.2 | -169.4 | 57.9 | 0 | 0 | 117 | ||||
| 185 | Q | 46.9 | Very low | 44.8 | Very low | 167 Ų | 167 | 118 Ų | 118 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | cis | -167.9 | 140.2 | 26.6 | -141 | 157.7 | -15.3 | 0 | 0 | 112.7 | ||||
| 186 | A | 38.3 | Very low | 43.3 | Very low | 83 Ų | 83 | 113.7 Ų | 113.7 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | 43.5 | 133.1 | 135 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 187 | S | 40.3 | Very low | 43.6 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | -176.7 | 108 | 115.5 | 12 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 188 | T | 44.8 | Very low | 42.9 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | 64.1 | 112.8 | 90.2 | 63.1 | 0 | 0 | 0 | 0 | 117 | |||||
| 189 | S | 39.1 | Very low | 42.5 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | -171.2 | 129.2 | 123 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 190 | A | 41.7 | Very low | 41.6 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -77.4 | 162.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 191 | S | 35.9 | Very low | 40.9 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | 168.8 | 126.6 | 118.7 | -67.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 192 | A | 39.4 | Very low | 41.1 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -104.9 | 174.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 193 | P | 52.4 | Low | 40.8 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -136.8 | 160.7 | 34.9 | 31.8 | -7.6 | 0 | 0 | 0 | 115.2 | ||||
| 194 | G | 35.5 | Very low | 40.5 | Very low | 69 Ų | 69 | 124.5 Ų | 124.5 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | 81.3 | 110.7 | 96.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 195 | T | 35.5 | Very low | 39.7 | Very low | 150 Ų | 150 | 127 Ų | 127 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | -176.2 | 135.9 | 101 | -53 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 196 | G | 34.4 | Very low | 39.2 | Very low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -81.8 | -149.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 197 | P | 62.2 | Low | 39.2 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | cis | -134.4 | -170.1 | -9.6 | 39.7 | -20.7 | 0 | 0 | 0 | 113.3 | ||||
| 198 | H | 33.3 | Very low | 38.9 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | 128.3 | 141.4 | 140.5 | -149.4 | -99.3 | 0 | 0 | 0 | 117.7 | ||||
| 199 | L | 36.3 | Very low | 38.3 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -75.2 | 156.3 | -164.8 | -58.9 | 156.6 | 0 | 0 | 0 | 114.3 | ||||
| 200 | C | 27.6 | Very low | 38.3 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | 155.9 | 135.3 | 121.5 | -82.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 201 | L | 30.4 | Very low | 38.3 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -62.9 | -173.7 | 163.8 | -75.8 | 141.8 | 0 | 0 | 0 | 112.4 | ||||
| 202 | P | 54.8 | Low | 39 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 57% | 0.565 | 77% | 0.772 | S | S | * | * | -130.4 | -175.5 | -55.6 | 37.8 | -21.2 | 0 | 0 | 0 | 111.3 | |||||
| 203 | E | 35.2 | Very low | 39 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 58.5 | 133.4 | 147.4 | -80.6 | 162.4 | 107.5 | 0 | 0 | 117.7 | ||||
| 204 | E | 34.4 | Very low | 38.2 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | -167.9 | 164.8 | 54.5 | -65.3 | -82.8 | 46.2 | 0 | 0 | 108.8 | |||||
| 205 | E | 34.3 | Very low | 38.1 | Very low | 195 Ų | 195 | 132.9 Ų | 132.9 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | 116.5 | 126.7 | 135.8 | -147.8 | 149 | 89.5 | 0 | 0 | 117.4 | ||||
| 206 | E | 36.6 | Very low | 37.9 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -113.9 | 155.6 | -152.6 | -144.7 | -87.2 | 97.5 | 0 | 0 | 108.7 | ||||
| 207 | R | 38.4 | Very low | 37.9 | Very low | 200 Ų | 200 | 133.7 Ų | 133.7 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 69.9 | 114.9 | 152.4 | -124.8 | 161.4 | 100.2 | -130.5 | 5.2 | 119.4 | ||||
| 208 | S | 34.3 | Very low | 36.7 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | 165.8 | 125.3 | 118 | -72.5 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 209 | G | 33.3 | Very low | 37.1 | Very low | 65 Ų | 65 | 130.8 Ų | 130.8 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | cis | 118.4 | 139.1 | 47.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 210 | S | 37.3 | Very low | 38.4 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | 77.1 | 116.9 | 166.3 | 53 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 211 | S | 42.1 | Very low | 38.8 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -53.1 | 164.6 | 159.9 | -46.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 212 | P | 51.5 | Low | 39.3 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | -150.9 | 136 | 104.6 | 25.4 | -1.9 | 0 | 0 | 0 | 117.2 | |||||
| 213 | L | 39.1 | Very low | 39.5 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 45.1 | 149.1 | 131.9 | 62.7 | 117 | 0 | 0 | 0 | 126.1 | ||||
| 214 | E | 36.4 | Very low | 39.4 | Very low | 175 Ų | 175 | 132.8 Ų | 132.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 66.2 | 145.6 | 161.8 | -36.4 | -63.4 | 74.7 | 0 | 0 | 118.6 | ||||
| 215 | G | 31.8 | Very low | 39.7 | Very low | 62 Ų | 62 | 131.3 Ų | 131.3 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | cis | -173.3 | 142 | 5.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 216 | S | 33.1 | Very low | 40 | Very low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | 85.6 | 134.1 | 98 | -67.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 217 | S | 34.4 | Very low | 40 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 75.3 | 109.7 | 159 | -74.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 218 | S | 36.3 | Very low | 40 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | 85.1 | 122 | 71.3 | -70.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 219 | S | 42.2 | Very low | 40.2 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -39.9 | -170.6 | 168.7 | -49.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 220 | P | 62.3 | Low | 40.6 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -129.6 | -176.3 | -16.3 | 21.3 | 3.9 | 0 | 0 | 0 | 112.3 | ||||
| 221 | E | 35.9 | Very low | 41.1 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | 164.2 | 136.5 | 121.9 | -83.3 | -167.6 | 98.3 | 0 | 0 | 112.8 | |||||
| 222 | E | 41.1 | Very low | 41.2 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -84.6 | -158.5 | 173.5 | -77.9 | -95.9 | 102.1 | 0 | 0 | 110 | ||||
| 223 | P | 59.5 | Low | 41 | Very low | 82 Ų | 82 | 144.2 Ų | 144.2 | 53% | 0.532 | 77% | 0.77 | S | S | . | * | -125 | -170.3 | -60.8 | 29 | -10.9 | 0 | 0 | 0 | 111.3 | |||||
| 224 | H | 33.4 | Very low | 41 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 137.2 | 114.2 | 137.5 | -72 | -73.1 | 0 | 0 | 0 | 116.6 | ||||
| 225 | T | 40.5 | Very low | 41.7 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | 53.3 | 119.1 | 129.6 | 69 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 226 | H | 40.4 | Very low | 42.5 | Very low | 169 Ų | 169 | 158.1 Ų | 158.1 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -165.9 | 104.5 | 130.5 | -154.3 | -108 | 0 | 0 | 0 | 109.6 | ||||
| 227 | R | 37.5 | Very low | 43.7 | Very low | 203 Ų | 203 | 161.2 Ų | 161.2 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | 59.6 | 99.7 | 88 | -163.2 | 168.5 | -173 | -116.8 | 3.6 | 115.5 | |||||
| 228 | S | 36.6 | Very low | 44.1 | Very low | 99 Ų | 99 | 163.7 Ų | 163.7 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | 57.1 | 131.6 | 125.8 | -53.5 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 229 | S | 39.3 | Very low | 44.5 | Very low | 113 Ų | 113 | 166.1 Ų | 166.1 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 84.9 | 122.3 | 134 | -64 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 230 | R | 42.4 | Very low | 44.7 | Very low | 218 Ų | 218 | 168.8 Ų | 168.8 | 82% | 0.823 | 81% | 0.814 | S | S | * | * | 163.9 | 101.9 | 115.7 | -173.7 | 172 | -67.2 | -115.7 | 0.9 | 109.9 | |||||
| 231 | I | 47.7 | Very low | 43.6 | Very low | 140 Ų | 140 | 172.1 Ų | 172.1 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | 44.4 | 119.2 | 106.5 | -51.5 | 170 | 0 | 0 | 0 | 115 | |||||
| 232 | Q | 43.6 | Very low | 44.1 | Very low | 174 Ų | 174 | 170.9 Ų | 170.9 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | 177.2 | 104.8 | 130 | -94.4 | 167.2 | 57.6 | 0 | 0 | 107.2 | |||||
| 233 | R | 46.9 | Very low | 44.3 | Very low | 222 Ų | 222 | 170.6 Ų | 170.6 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | 56.1 | 101.6 | 74.9 | -156.8 | -172.4 | -76.5 | -176.1 | -1.6 | 112.7 | |||||
| 234 | W | 38.9 | Very low | 43.2 | Very low | 255 Ų | 255 | 176.9 Ų | 176.9 | 97% | 0.966 | 83% | 0.834 | S | S | * | * | trans | -129.6 | 126.5 | 157.1 | -132.2 | -49.4 | 0 | 0 | 0 | 110.2 | ||||
| 235 | R | 51.6 | Low | 44 | Very low | 217 Ų | 217 | 178.3 Ų | 178.3 | 82% | 0.819 | 84% | 0.841 | S | S | * | * | trans | -97.8 | 158.8 | 169.8 | -81 | -175.5 | 165.9 | -137.4 | 0.5 | 109.8 | ||||
| 236 | K | 49.4 | Very low | 44.3 | Very low | 197 Ų | 197 | 182.9 Ų | 182.9 | 86% | 0.857 | 85% | 0.848 | S | S | * | * | trans | 135.8 | 141.7 | 142.4 | -82.6 | 160.2 | 161.6 | -179.2 | 0 | 109.1 | ||||
| 237 | S | 57.1 | Low | 44.6 | Very low | 188 Ų | 188 | 184.2 Ų | 184.2 | 100% | 1.315 | 85% | 0.854 | S | S | * | * | cis | -164.9 | 0 | -10.2 | -121.6 | 0 | 0 | 0 | 0 | 105.5 |
Retrieved 237 of 237 residues in 48.9 ms
(Link to these results)