| 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 | 36.8 | Very low | 40.2 | Very low | 232 Ų | 232 | 144.7 Ų | 144.7 | 100% | 1.143 | 82% | 0.817 | S | S | * | * | 0 | 115.1 | 0 | -89 | 75.8 | 159.3 | 0 | 0 | 107.5 | |||||
| 2 | R | 35.4 | Very low | 40 | Very low | 223 Ų | 223 | 143.2 Ų | 143.2 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | 47 | 128.7 | 76.2 | -80.2 | -174 | 141.7 | 167 | -3.2 | 110.6 | |||||
| 3 | Q | 38.4 | Very low | 39.1 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | cis | -174.2 | 165.2 | 24.6 | -116.8 | -176 | 75.2 | 0 | 0 | 108.6 | ||||
| 4 | S | 41 | Very low | 38.4 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 23.6 | 145.3 | 139.2 | -48.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 5 | G | 35.3 | Very low | 38 | Very low | 70 Ų | 70 | 147.5 Ų | 147.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | 150.9 | 155.4 | 18.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | A | 47.8 | Very low | 37.9 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | 49.1 | 123.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 7 | S | 33.9 | Very low | 37.9 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | -168 | 126.1 | 122.5 | -142.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 8 | Q | 49.1 | Very low | 38.1 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -68.5 | 162.5 | 164.1 | -69.6 | -81.3 | 15.6 | 0 | 0 | 109.7 | ||||
| 9 | P | 44 | Very low | 39.4 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | -147.8 | 138.8 | 104.5 | 32.8 | -14 | 0 | 0 | 0 | 116.6 | |||||
| 10 | L | 44.6 | Very low | 39.3 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | 11.2 | 135.5 | 136.5 | -48 | -176.3 | 0 | 0 | 0 | 121.1 | ||||
| 11 | L | 36 | Very low | 39.1 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | 170.8 | 103.8 | 128.1 | -89.9 | 158.5 | 0 | 0 | 0 | 107.4 | |||||
| 12 | I | 37.5 | Very low | 39.1 | Very low | 126 Ų | 126 | 134 Ų | 134 | 65% | 0.646 | 76% | 0.759 | S | S | * | * | 59.7 | 101.4 | 70.3 | -56.1 | 161.1 | 0 | 0 | 0 | 113.3 | |||||
| 13 | N | 27.9 | Very low | 39.4 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | 178.7 | 114.4 | 118.6 | -117.6 | 18.8 | 0 | 0 | 0 | 109.7 | |||||
| 14 | M | 30.6 | Very low | 39.6 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 64% | 0.64 | 76% | 0.757 | S | S | * | * | 74.3 | 102.5 | 85.8 | -76.9 | -92.1 | 84.7 | 0 | 0 | 113.7 | L16 | M14-L16 HydrophobicContact CE-CB 3.78Å; M14-L16 HydrophobicContact SD-CB 4.42Å | |||
| 15 | Y | 32.4 | Very low | 39.4 | Very low | 223 Ų | 223 | 131.4 Ų | 131.4 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | -140.8 | 97.7 | 123 | -148.5 | -98.7 | 0 | 0 | 0 | 109.9 | |||||
| 16 | L | 35.1 | Very low | 39.4 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 48% | 0.482 | 77% | 0.77 | S | S | . | * | trans | -69.9 | 149.1 | 157.2 | -176.9 | 65.1 | 0 | 0 | 0 | 108.4 | M14 D18 | M14-L16 HydrophobicContact CE-CB 3.78Å; M14-L16 HydrophobicContact SD-CB 4.42Å; L16-D18 HydrophobicContact CD1-CB 4.08Å; L16-D18 HydrophobicContact CD2-CB 4.17Å; L16-D18 HydrophobicContact CG-CB 4.14Å | ||
| 17 | P | 39.4 | Very low | 39.1 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | -125.5 | 120.4 | 127.4 | 32.2 | -23.7 | 0 | 0 | 0 | 111 | |||||
| 18 | D | 40.7 | Very low | 39.9 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | -138 | 156.9 | 156.9 | -93.7 | -54.2 | 0 | 0 | 0 | 103.6 | L16 | L16-D18 HydrophobicContact CD1-CB 4.08Å; L16-D18 HydrophobicContact CD2-CB 4.17Å; L16-D18 HydrophobicContact CG-CB 4.14Å | ||
| 19 | P | 63.4 | Low | 39.3 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | cis | -140.2 | 176 | 18.9 | 32.7 | -10.2 | 0 | 0 | 0 | 114.4 | ||||
| 20 | V | 37.1 | Very low | 38.8 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | 171.5 | 121.9 | 122.6 | 157.7 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 21 | G | 33.8 | Very low | 38.8 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | 156.1 | 56.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 22 | D | 38.1 | Very low | 38.9 | Very low | 172 Ų | 172 | 137 Ų | 137 | 92% | 0.92 | 75% | 0.753 | S | S | * | * | trans | -50.1 | 143.1 | 166 | -99.5 | -77.3 | 0 | 0 | 0 | 112.8 | ||||
| 23 | G | 41.3 | Very low | 39.6 | Very low | 68 Ų | 68 | 137.6 Ų | 137.6 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | 106.1 | 128.8 | 145.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 24 | L | 42.8 | Very low | 40.4 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | trans | 84.9 | 77.1 | 142.5 | -162.1 | 74.5 | 0 | 0 | 0 | 116.5 | ||||
| 25 | F | 36.9 | Very low | 41.3 | Very low | 207 Ų | 207 | 132 Ų | 132 | 91% | 0.908 | 73% | 0.734 | S | S | * | * | -151.8 | 96.1 | 126 | -85.8 | -67.7 | 0 | 0 | 0 | 110.5 | |||||
| 26 | K | 35.4 | Very low | 42 | Very low | 199 Ų | 199 | 126.7 Ų | 126.7 | 87% | 0.865 | 72% | 0.72 | S | S | * | * | trans | -6.7 | 124.7 | 150 | -129.9 | 170.8 | 177.4 | 178.6 | 0 | 115.3 | G28 | K26-G28 PolarHBondContact O-N 2.73Š| ||
| 27 | E | 41.4 | Very low | 42.6 | Very low | 205 Ų | 205 | 126.4 Ų | 126.4 | 96% | 0.958 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -2.4 | 110.3 | 154.2 | -163.3 | 150.5 | 87.2 | 0 | 0 | 115.8 | ||
| 28 | G | 50.9 | Low | 42.9 | Very low | 58 Ų | 58 | 125.2 Ų | 125.2 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | trans | 148.2 | 98.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K26 | K26-G28 PolarHBondContact O-N 2.73Š| ||
| 29 | K | 36.8 | Very low | 43.1 | Very low | 214 Ų | 214 | 122.2 Ų | 122.2 | 93% | 0.93 | 71% | 0.71 | S | S | * | * | trans | -172.7 | 115 | 144.7 | -102 | 140.8 | -172.6 | 170.9 | 0 | 112.5 | ||||
| 30 | N | 32.8 | Very low | 42.7 | Very low | 135 Ų | 135 | 122.7 Ų | 122.7 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | 69.6 | 122 | 157.3 | -119.9 | -9.3 | 0 | 0 | 0 | 117.8 | S32 | N30-S32 PolarHBondContact O-N 3.3Š| ||
| 31 | P | 44.1 | Very low | 43.2 | Very low | 81 Ų | 81 | 122 Ų | 122 | 53% | 0.526 | 70% | 0.699 | S | S | . | * | trans | -65.5 | 90.8 | 155 | 29 | -29 | 0 | 0 | 0 | 106.7 | W33 | P31-W33 VanDerWaalsContact C-N 3.26Å; P31-W33 VanDerWaalsContact O-CD1 3.24Å; P31-W33 PolarHBondContact O-N 2.81Å | ||
| 32 | S | 39.8 | Very low | 43.7 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | -61.4 | 94.1 | 170.7 | -173.5 | 0 | 0 | 0 | 0 | 107 | N30 G34 | N30-S32 PolarHBondContact O-N 3.3Å; S32-G34 PolarHBondContact O-N 3.47Å | ||
| 33 | W | 51.4 | Low | 44.4 | Very low | 139 Ų | 139 | 122.8 Ų | 122.8 | 53% | 0.527 | 69% | 0.689 | S | S | . | * | trans | -70.5 | 78.8 | 159.9 | -62.7 | 94.7 | 0 | 0 | 0 | 105.5 | P31 W87 | P31-W33 VanDerWaalsContact C-N 3.26Å; P31-W33 VanDerWaalsContact O-CD1 3.24Å; P31-W33 PolarHBondContact O-N 2.81Å; W33-W87 HydrophobicContact CH2-CZ2 4.28Å | ||
| 34 | G | 44.3 | Very low | 45.1 | Very low | 27 Ų | 27 | 121.2 Ų | 121.2 | 28% | 0.278 | 67% | 0.668 | S | S | . | * | trans | -58.5 | 156.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S32 L36 | S32-G34 PolarHBondContact O-N 3.47Å; G34-L36 PolarHBondContact O-N 3.1Å | ||
| 35 | P | 48.8 | Very low | 46.3 | Very low | 128 Ų | 128 | 116.1 Ų | 116.1 | 83% | 0.831 | 65% | 0.651 | S | S | * | * | trans | -66.9 | 106.6 | 173.2 | 27.5 | -29.8 | 0 | 0 | 0 | 107.7 | ||||
| 36 | L | 47.8 | Very low | 48.5 | Very low | 111 Ų | 111 | 111.2 Ų | 111.2 | 58% | 0.581 | 63% | 0.631 | S | S | * | * | trans | -115.5 | 135.7 | -174.7 | -69.2 | 179 | 0 | 0 | 0 | 112.1 | G34 | G34-L36 PolarHBondContact O-N 3.1Š| ||
| 37 | S | 47.7 | Very low | 51.1 | Low | 86 Ų | 86 | 102.6 Ų | 102.6 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | trans | -62.8 | 162.3 | -162.2 | -30.4 | 0 | 0 | 0 | 0 | 115.5 | A39 | S37-A39 PolarHBondContact O-N 3.13Š| ||
| 38 | P | 46.5 | Very low | 53.6 | Low | 88 Ų | 88 | 95.9 Ų | 95.9 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -89.8 | 93.5 | -171.6 | 36.7 | -31.8 | 0 | 0 | 0 | 110.9 | P137 | P38-P137 HydrophobicContact CB-CB 3.61Å; P38-P137 HydrophobicContact CB-CG 4.47Å; P38-P137 HydrophobicContact CG-CB 3.66Å |
| 39 | A | 44.6 | Very low | 55.7 | Low | 64 Ų | 64 | 93.1 Ų | 93.1 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | trans | -148.6 | 95.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | S37 Q41 | S37-A39 PolarHBondContact O-N 3.13Å; A39-Q41 HydrophobicContact CB-CG 4.3Å; A39-Q41 PolarHBondContact O-N 3.37Å | ||
| 40 | V | 54.5 | Low | 58.5 | Low | 121 Ų | 121 | 83.3 Ų | 83.3 | 73% | 0.733 | 49% | 0.491 | S | S | * | . | trans | -67.4 | 78.4 | 168.7 | 67.4 | 0 | 0 | 0 | 0 | 108 | K42 | V40-K42 PolarHBondContact O-N 2.91Š| ||
| 41 | Q | 47.6 | Very low | 61.5 | Low | 132 Ų | 132 | 79 Ų | 79 | 62% | 0.617 | 47% | 0.467 | S | S | * | . | trans | -75.7 | 110.5 | 169 | -68.9 | -82.3 | -19.2 | 0 | 0 | 105.7 | A39 G43 S44 | A39-Q41 HydrophobicContact CB-CG 4.3Å; A39-Q41 PolarHBondContact O-N 3.37Å; Q41-G43 PolarHBondContact O-N 3.37Å; Q41-S44 PolarHBondContact O-N 3.47Å | ||
| 42 | K | 45.2 | Very low | 64 | Low | 203 Ų | 203 | 75.3 Ų | 75.3 | 88% | 0.883 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 99 | 175.1 | -162.7 | -179.1 | -174.1 | -172.6 | 0 | 108 | V40 | V40-K42 PolarHBondContact O-N 2.91Š|
| 43 | G | 52.3 | Low | 66.7 | Low | 58 Ų | 58 | 70.2 Ų | 70.2 | 60% | 0.598 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.5 | 0.8 | -178 | 0 | 0 | 0 | 0 | 0 | 117 | Q41 | Q41-G43 PolarHBondContact O-N 3.37Š|
| 44 | S | 57 | Low | 68.8 | Low | 35 Ų | 35 | 65.8 Ų | 65.8 | 25% | 0.245 | 39% | 0.393 | C | S | . | . | trans | -72.4 | 141.9 | 169.6 | 79.9 | 0 | 0 | 0 | 0 | 109.8 | Q41 Q46 I47 | Q41-S44 PolarHBondContact O-N 3.47Å; S44-Q46 PolarHBondContact O-N 2.91Å; S44-Q46 PolarHBondContact OG-N 3Å; S44-I47 PolarHBondContact O-N 2.88Å | ||
| 45 | G | 65.9 | Low | 71.3 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 5.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K91 | G45-K91 WeakPolarHBondContact O-CD 3.4Å; G45-K91 WeakPolarHBondContact O-CE 3.4Å; G45-K91 PolarHBondContact O-NZ 3.34Å |
| 46 | Q | 84.1 | Confident | 73.5 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 19.9 | 179 | -162.4 | 168 | -13.6 | 0 | 0 | 112.9 | S44 | S44-Q46 PolarHBondContact O-N 2.91Å; S44-Q46 PolarHBondContact OG-N 3Å |
| 47 | I | 90.8 | Very high | 75.8 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 9% | 0.087 | 33% | 0.334 | C | S | . | . | trans | -72.1 | 143.8 | 172.2 | -171.1 | 167.6 | 0 | 0 | 0 | 111.6 | S44 Q51 F52 E55 W87 R90 | S44-I47 PolarHBondContact O-N 2.88Å; I47-Q51 HydrophobicContact CD1-CB 4.05Å; I47-Q51 HydrophobicContact CG1-CB 3.69Å; I47-F52 HydrophobicContact CD1-CB 3.94Å; I47-F52 HydrophobicContact CG1-CB 4.22Å; I47-E55 VanDerWaalsContact CD1-OE2 3.3Å; I47-E55 WeakPolarHBondContact CD1-OE2 3.36Å; I47-W87 HydrophobicContact CG2-CH2 4.47Å; I47-W87 HydrophobicContact CG2-CZ3 3.95Å; I47-W87 WeakPolarHBondContact O-CH2 3.43Å; I47-R90 HydrophobicContact CG2-CG 3.46Å; I47-R90 VanDerWaalsContact CG2-CG 3.46Å | ||
| 48 | Q | 93.4 | Very high | 78.1 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | trans | -85.7 | 155.7 | 172.8 | -67 | 176.4 | 69.6 | 0 | 0 | 111.5 | W50 Q51 F52 | Q48-W50 VanDerWaalsContact C-N 3.34Å; Q48-W50 HydrophobicContact CB-CG 4.49Å; Q48-W50 VanDerWaalsContact CD-NE1 3.32Å; Q48-W50 PolarHBondContact O-N 3.45Å; Q48-Q51 HydrophobicContact CB-CG 4.3Å; Q48-Q51 VanDerWaalsContact N-OE1 3.17Å; Q48-Q51 WeakPolarHBondContact O-CB 3.39Å; Q48-Q51 PolarHBondContact O-N 2.82Å; Q48-Q51 VanDerWaalsContact O-N 3.16Å; Q48-F52 PolarHBondContact O-N 3.44Å | ||
| 49 | L | 95.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.5 | -44 | -178.2 | 177 | 61.8 | 0 | 0 | 0 | 112 | Q51 F52 L53 W87 L101 A104 L105 Y108 | L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 2.99Å; L49-F52 HydrophobicContact CD1-CD1 4.21Å; L49-F52 PolarHBondContact O-N 3.1Å; L49-L53 HydrophobicContact CD1-CD1 4.29Å; L49-L53 HydrophobicContact CD1-CD2 4.3Å; L49-L53 HydrophobicContact CD1-CG 4.04Å; L49-L53 HydrophobicContact CG-CD1 4.23Å; L49-L53 HydrophobicContact CG-CG 4.38Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 3.02Å; L49-W87 HydrophobicContact CB-CH2 4.15Å; L49-W87 HydrophobicContact CB-CZ2 3.97Å; L49-W87 HydrophobicContact CD1-CD2 3.88Å; L49-W87 HydrophobicContact CD1-CE3 4.23Å; L49-W87 HydrophobicContact CD1-CG 4.14Å; L49-W87 HydrophobicContact CD1-CZ2 4.39Å; L49-L101 HydrophobicContact CD1-CD1 4.06Å; L49-L101 HydrophobicContact CD1-CG 4.08Å; L49-L101 HydrophobicContact CD2-CD2 4.35Å; L49-L101 HydrophobicContact CD2-CG 4.09Å; L49-A104 HydrophobicContact CD2-CB 3.57Å; L49-L105 HydrophobicContact CD2-CD2 3.59Å; L49-L105 HydrophobicContact CD2-CG 4.04Å; L49-L105 HydrophobicContact CG-CD2 4.13Å; L49-Y108 HydrophobicContact CB-CE2 4.11Å; L49-Y108 HydrophobicContact CD2-CE2 4.29Å; L49-Y108 HydrophobicContact CG-CE2 4.36Å |
| 50 | W | 95.4 | Very high | 82.6 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 178.6 | 69.7 | -98.6 | 0 | 0 | 0 | 112.5 | Q48 L54 Y108 I113 M114 F126 L131 A134 C135 | Q48-W50 VanDerWaalsContact C-N 3.34Å; Q48-W50 HydrophobicContact CB-CG 4.49Å; Q48-W50 VanDerWaalsContact CD-NE1 3.32Å; Q48-W50 PolarHBondContact O-N 3.45Å; W50-L54 HydrophobicContact CE3-CD1 3.84Å; W50-L54 HydrophobicContact CZ3-CD1 3.96Å; W50-L54 WeakPolarHBondContact O-CG 2.99Å; W50-L54 PolarHBondContact O-N 2.91Å; W50-L54 VanDerWaalsContact O-N 3.15Å; W50-Y108 HydrophobicContact CB-CE2 4.03Å; W50-Y108 AromaticContact CD1-CZ 3.81Å; W50-I113 HydrophobicContact CB-CG2 3.94Å; W50-I113 HydrophobicContact CG-CG2 4.13Å; W50-M114 HydrophobicContact CB-CE 4.1Å; W50-F126 HydrophobicContact CB-CE1 4.14Å; W50-L131 HydrophobicContact CD2-CD1 4Å; W50-L131 HydrophobicContact CE3-CD1 3.29Å; W50-L131 HydrophobicContact CH2-CD1 4.34Å; W50-L131 HydrophobicContact CZ3-CD1 3.49Å; W50-L131 VanDerWaalsContact CZ3-CD1 3.49Å; W50-L131 HydrophobicContact CZ3-CG 4.42Å; W50-A134 HydrophobicContact CZ2-CB 4Å; W50-C135 WeakPolarHBondContact CH2-SG 3.35Å |
| 51 | Q | 95 | Very high | 84.5 | Confident | 43 Ų | 43 | 61 Ų | 61 | 20% | 0.201 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 176.3 | -68.1 | 172.4 | -28 | 0 | 0 | 111 | I47 Q48 L49 L53 L54 E55 | I47-Q51 HydrophobicContact CD1-CB 4.05Å; I47-Q51 HydrophobicContact CG1-CB 3.69Å; Q48-Q51 HydrophobicContact CB-CG 4.3Å; Q48-Q51 VanDerWaalsContact N-OE1 3.17Å; Q48-Q51 WeakPolarHBondContact O-CB 3.39Å; Q48-Q51 PolarHBondContact O-N 2.82Å; Q48-Q51 VanDerWaalsContact O-N 3.16Å; L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 2.99Å; Q51-L53 PolarHBondContact O-N 3.49Å; Q51-L54 PolarHBondContact O-N 3.24Å; Q51-E55 WeakPolarHBondContact O-CB 3.3Å; Q51-E55 PolarHBondContact O-N 2.94Å |
| 52 | F | 96.5 | Very high | 86.7 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 178 | 168.7 | -101.2 | 0 | 0 | 0 | 112.3 | I47 Q48 L49 E55 L56 V83 R86 W87 R90 | I47-F52 HydrophobicContact CD1-CB 3.94Å; I47-F52 HydrophobicContact CG1-CB 4.22Å; Q48-F52 PolarHBondContact O-N 3.44Å; L49-F52 HydrophobicContact CD1-CD1 4.21Å; L49-F52 PolarHBondContact O-N 3.1Å; F52-E55 WeakPolarHBondContact O-CB 3.47Å; F52-E55 PolarHBondContact O-N 3.17Å; F52-L56 HydrophobicContact CD1-CD1 4.37Å; F52-L56 HydrophobicContact CE1-CD1 3.61Å; F52-L56 HydrophobicContact CE1-CG 4.25Å; F52-L56 HydrophobicContact CE2-CD1 4.29Å; F52-L56 HydrophobicContact CE2-CD2 4.3Å; F52-L56 HydrophobicContact CE2-CG 4.2Å; F52-L56 HydrophobicContact CZ-CD1 3.57Å; F52-L56 HydrophobicContact CZ-CD2 4.29Å; F52-L56 HydrophobicContact CZ-CG 3.99Å; F52-L56 PolarHBondContact O-N 3.14Å; F52-V83 HydrophobicContact CE1-CG1 4.43Å; F52-R86 HydrophobicContact CZ-CB 3.86Å; F52-W87 HydrophobicContact CB-CE3 3.8Å; F52-W87 HydrophobicContact CB-CZ3 3.54Å; F52-W87 HydrophobicContact CD1-CB 4.3Å; F52-W87 HydrophobicContact CD1-CD2 4.19Å; F52-W87 AromaticContact CD1-CE3 3.44Å; F52-W87 HydrophobicContact CD1-CE3 3.44Å; F52-W87 VanDerWaalsContact CD1-CE3 3.44Å; F52-W87 HydrophobicContact CD1-CZ3 4.1Å; F52-W87 HydrophobicContact CD2-CE3 4.01Å; F52-W87 HydrophobicContact CD2-CZ3 4.34Å; F52-W87 HydrophobicContact CE1-CB 3.72Å; F52-W87 HydrophobicContact CE1-CD2 4.47Å; F52-W87 AromaticContact CE1-CE3 3.95Å; F52-W87 HydrophobicContact CE1-CE3 3.95Å; F52-W87 HydrophobicContact CE1-CG 4.44Å; F52-W87 HydrophobicContact CE2-CE3 4.45Å; F52-W87 AromaticContact CG-CE3 3.46Å; F52-W87 HydrophobicContact CG-CE3 3.46Å; F52-W87 VanDerWaalsContact CG-CE3 3.46Å; F52-W87 AromaticContact CG-CZ3 3.74Å; F52-W87 HydrophobicContact CG-CZ3 3.74Å; F52-W87 HydrophobicContact CZ-CB 4.17Å; F52-W87 HydrophobicContact CZ-CE3 4.41Å; F52-R90 HydrophobicContact CD2-CB 4.37Å; F52-R90 HydrophobicContact CD2-CG 4.11Å; F52-R90 HydrophobicContact CE2-CB 4.15Å; F52-R90 HydrophobicContact CE2-CG 4.37Å |
| 53 | L | 97 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 176.7 | -66.8 | 179.2 | 0 | 0 | 0 | 111.7 | L49 Q51 E55 L56 L57 I66 F75 L77 V83 L105 M114 F126 | L49-L53 HydrophobicContact CD1-CD1 4.29Å; L49-L53 HydrophobicContact CD1-CD2 4.3Å; L49-L53 HydrophobicContact CD1-CG 4.04Å; L49-L53 HydrophobicContact CG-CD1 4.23Å; L49-L53 HydrophobicContact CG-CG 4.38Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 3.02Å; Q51-L53 PolarHBondContact O-N 3.49Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 3.28Å; L53-L56 PolarHBondContact O-N 3.33Å; L53-L57 VanDerWaalsContact O-CB 3.28Å; L53-L57 WeakPolarHBondContact O-CB 3.11Å; L53-L57 WeakPolarHBondContact O-CD1 3.43Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.1Å; L53-L57 PolarHBondContact O-N 3.48Å; L53-I66 HydrophobicContact CB-CD1 4.35Å; L53-I66 HydrophobicContact CD2-CD1 3.82Å; L53-F75 HydrophobicContact CD1-CE2 4.34Å; L53-F75 HydrophobicContact CD1-CZ 4.15Å; L53-L77 HydrophobicContact CD2-CD2 4.47Å; L53-V83 HydrophobicContact CD2-CG1 3.75Å; L53-L105 HydrophobicContact CD1-CD2 3.61Å; L53-M114 HydrophobicContact CD1-CE 4.4Å; L53-F126 HydrophobicContact CB-CZ 4.3Å |
| 54 | L | 95.6 | Very high | 91.1 | Very high | 46 Ų | 46 | 48.4 Ų | 48.4 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 173.1 | -76.4 | 174.8 | 0 | 0 | 0 | 112.3 | W50 Q51 L57 A58 W68 F126 L131 | W50-L54 HydrophobicContact CE3-CD1 3.84Å; W50-L54 HydrophobicContact CZ3-CD1 3.96Å; W50-L54 WeakPolarHBondContact O-CG 2.99Å; W50-L54 PolarHBondContact O-N 2.91Å; W50-L54 VanDerWaalsContact O-N 3.15Å; Q51-L54 PolarHBondContact O-N 3.24Å; L54-L57 PolarHBondContact O-N 3.15Å; L54-A58 WeakPolarHBondContact O-CB 3.41Å; L54-A58 PolarHBondContact O-N 3.35Å; L54-W68 HydrophobicContact CD2-CH2 3.73Å; L54-W68 HydrophobicContact CD2-CZ2 3.96Å; L54-F126 HydrophobicContact CD1-CE1 4.5Å; L54-F126 HydrophobicContact CD2-CD2 4Å; L54-F126 HydrophobicContact CD2-CE1 4.48Å; L54-F126 HydrophobicContact CD2-CE2 3.67Å; L54-F126 HydrophobicContact CD2-CZ 3.94Å; L54-F126 HydrophobicContact CG-CE1 4.21Å; L54-F126 HydrophobicContact CG-CE2 4.02Å; L54-F126 HydrophobicContact CG-CZ 3.76Å; L54-L131 HydrophobicContact CD1-CD1 4.12Å; L54-L131 HydrophobicContact CD1-CD2 3.96Å |
| 55 | E | 95.5 | Very high | 93 | Very high | 77 Ų | 77 | 47 Ų | 47 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.5 | -167.9 | -172.9 | 137.6 | 0 | 0 | 111.3 | I47 Q51 F52 L53 A58 R90 | I47-E55 VanDerWaalsContact CD1-OE2 3.3Å; I47-E55 WeakPolarHBondContact CD1-OE2 3.36Å; Q51-E55 WeakPolarHBondContact O-CB 3.3Å; Q51-E55 PolarHBondContact O-N 2.94Å; F52-E55 WeakPolarHBondContact O-CB 3.47Å; F52-E55 PolarHBondContact O-N 3.17Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 3.28Å; E55-A58 PolarHBondContact O-N 2.99Å; E55-R90 IonicContact OE1-CZ 2.78Å; E55-R90 IonicContact OE1-NH1 3.58Å; E55-R90 PolarHBondContact OE1-NH1 2.9Å; E55-R90 IonicContact OE1-NH2 3.68Å; E55-R90 PolarHBondContact OE1-NH2 3.45Å; E55-R90 IonicContact OE2-CZ 3.54Å; E55-R90 IonicContact OE2-NH1 3.52Å; E55-R90 PolarHBondContact OE2-NH1 2.98Å; E55-R90 IonicContact OE2-NH2 3.6Å |
| 56 | L | 96.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.1 | -67.3 | -176.1 | 0 | 0 | 0 | 111.9 | F52 L53 A58 D59 N62 I66 V83 | F52-L56 HydrophobicContact CD1-CD1 4.37Å; F52-L56 HydrophobicContact CE1-CD1 3.61Å; F52-L56 HydrophobicContact CE1-CG 4.25Å; F52-L56 HydrophobicContact CE2-CD1 4.29Å; F52-L56 HydrophobicContact CE2-CD2 4.3Å; F52-L56 HydrophobicContact CE2-CG 4.2Å; F52-L56 HydrophobicContact CZ-CD1 3.57Å; F52-L56 HydrophobicContact CZ-CD2 4.29Å; F52-L56 HydrophobicContact CZ-CG 3.99Å; F52-L56 PolarHBondContact O-N 3.14Å; L53-L56 PolarHBondContact O-N 3.33Å; L56-A58 VanDerWaalsContact C-N 3.27Å; L56-A58 PolarHBondContact O-N 3.5Å; L56-D59 PolarHBondContact O-N 3.22Å; L56-D59 VanDerWaalsContact O-O 3.1Å; L56-N62 WeakPolarHBondContact O-CB 3.36Å; L56-N62 PolarHBondContact O-ND2 3.35Å; L56-I66 HydrophobicContact CB-CG2 3.55Å; L56-I66 HydrophobicContact CD1-CG2 4Å; L56-I66 HydrophobicContact CG-CG2 4.43Å; L56-V83 HydrophobicContact CD1-CG1 4.31Å |
| 57 | L | 96.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.6 | -20.4 | -179.7 | -81.4 | 168 | 0 | 0 | 0 | 114.1 | L53 L54 D59 I66 W68 F75 F126 | L53-L57 VanDerWaalsContact O-CB 3.28Å; L53-L57 WeakPolarHBondContact O-CB 3.11Å; L53-L57 WeakPolarHBondContact O-CD1 3.43Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.1Å; L53-L57 PolarHBondContact O-N 3.48Å; L54-L57 PolarHBondContact O-N 3.15Å; L57-D59 VanDerWaalsContact C-N 3.29Å; L57-I66 HydrophobicContact CD1-CD1 4.01Å; L57-I66 HydrophobicContact CD1-CG1 4.45Å; L57-I66 HydrophobicContact CD2-CD1 4.17Å; L57-I66 HydrophobicContact CD2-CG1 3.74Å; L57-I66 HydrophobicContact CG-CD1 3.76Å; L57-I66 HydrophobicContact CG-CG1 3.9Å; L57-W68 HydrophobicContact CB-CD2 4.43Å; L57-W68 HydrophobicContact CB-CH2 4.47Å; L57-W68 HydrophobicContact CB-CZ2 3.64Å; L57-W68 HydrophobicContact CD1-CD2 4.36Å; L57-W68 HydrophobicContact CD1-CE3 4.33Å; L57-W68 HydrophobicContact CD1-CH2 3.75Å; L57-W68 HydrophobicContact CD1-CZ2 3.77Å; L57-W68 HydrophobicContact CD1-CZ3 4.03Å; L57-W68 HydrophobicContact CD2-CD2 3.92Å; L57-W68 HydrophobicContact CD2-CE3 4.44Å; L57-W68 HydrophobicContact CD2-CG 4.01Å; L57-W68 HydrophobicContact CG-CD2 4.48Å; L57-W68 HydrophobicContact CG-CZ2 4.18Å; L57-W68 PolarHBondContact O-NE1 3.4Å; L57-F75 HydrophobicContact CD1-CB 3.88Å; L57-F75 HydrophobicContact CD1-CD1 4.12Å; L57-F75 HydrophobicContact CD1-CD2 3.97Å; L57-F75 HydrophobicContact CD1-CG 3.73Å; L57-F75 HydrophobicContact CD2-CB 3.92Å; L57-F126 HydrophobicContact CD1-CE2 3.99Å |
| 58 | A | 94.6 | Very high | 95.4 | Very high | 84 Ų | 84 | 44.1 Ų | 44.1 | 69% | 0.694 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.5 | -29.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L54 E55 L56 | L54-A58 WeakPolarHBondContact O-CB 3.41Å; L54-A58 PolarHBondContact O-N 3.35Å; E55-A58 PolarHBondContact O-N 2.99Å; L56-A58 VanDerWaalsContact C-N 3.27Å; L56-A58 PolarHBondContact O-N 3.5Å |
| 59 | D | 94.3 | Very high | 95.4 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | trans | -104 | 119.5 | 178.8 | -174 | -4 | 0 | 0 | 0 | 111.4 | L56 L57 A61 N62 | L56-D59 PolarHBondContact O-N 3.22Å; L56-D59 VanDerWaalsContact O-O 3.1Å; L57-D59 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 2.99Å; D59-A61 WeakPolarHBondContact OD1-CB 3.25Å; D59-A61 PolarHBondContact OD1-N 2.89Å; D59-N62 PolarHBondContact O-N 3.04Å; D59-N62 VanDerWaalsContact O-N 3.14Å | ||
| 60 | R | 91.8 | Very high | 95 | Very high | 172 Ų | 172 | 47.5 Ų | 47.5 | 65% | 0.649 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -66 | -19.4 | 179.4 | -65.2 | -66.3 | 178.9 | 172.8 | -2.6 | 113 | N62 A63 | R60-N62 PolarHBondContact O-N 2.88Å; R60-A63 VanDerWaalsContact O-CB 3.25Å; R60-A63 WeakPolarHBondContact O-CB 3.39Å; R60-A63 PolarHBondContact O-N 2.94Å; R60-A63 VanDerWaalsContact O-N 3.1Å |
| 61 | A | 94.6 | Very high | 94.8 | Very high | 84 Ų | 84 | 49.1 Ų | 49.1 | 69% | 0.694 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -60.5 | -22.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D59 A63 | D59-A61 PolarHBondContact O-N 2.99Å; D59-A61 WeakPolarHBondContact OD1-CB 3.25Å; D59-A61 PolarHBondContact OD1-N 2.89Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 2.95Å |
| 62 | N | 94.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.112 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -84.2 | 3.3 | 178.1 | -60.6 | -49.7 | 0 | 0 | 0 | 114.1 | L56 D59 R60 G64 C65 I66 R86 | L56-N62 WeakPolarHBondContact O-CB 3.36Å; L56-N62 PolarHBondContact O-ND2 3.35Å; D59-N62 PolarHBondContact O-N 3.04Å; D59-N62 VanDerWaalsContact O-N 3.14Å; R60-N62 PolarHBondContact O-N 2.88Å; N62-G64 PolarHBondContact O-N 2.8Å; N62-C65 PolarHBondContact O-N 2.79Å; N62-C65 PolarHBondContact O-SG 3.29Å; N62-C65 VanDerWaalsContact O-SG 3.35Å; N62-I66 CarbonylContact C-O 3.59Å; N62-I66 HydrophobicContact CB-CG2 4.25Å; N62-I66 PolarHBondContact O-N 2.94Å; N62-R86 PolarHBondContact OD1-NH1 3.49Å |
| 63 | A | 94.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 55.4 Ų | 55.4 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -55.6 | -25 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R60 A61 C65 I66 A67 T78 | R60-A63 VanDerWaalsContact O-CB 3.25Å; R60-A63 WeakPolarHBondContact O-CB 3.39Å; R60-A63 PolarHBondContact O-N 2.94Å; R60-A63 VanDerWaalsContact O-N 3.1Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 2.95Å; A63-C65 VanDerWaalsContact C-N 3.25Å; A63-C65 PolarHBondContact O-N 2.95Å; A63-I66 WeakPolarHBondContact CA-O 3.32Å; A63-A67 HydrophobicContact CB-CB 4.35Å; A63-T78 PolarHBondContact O-OG1 3.46Å |
| 64 | G | 95.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -63 | -26.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N62 T78 | N62-G64 PolarHBondContact O-N 2.8Å; G64-T78 WeakPolarHBondContact O-CB 3.4Å |
| 65 | C | 96.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -31.3 | 178.9 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | N62 A63 L77 T78 D79 E82 V83 | N62-C65 PolarHBondContact O-N 2.79Å; N62-C65 PolarHBondContact O-SG 3.29Å; N62-C65 VanDerWaalsContact O-SG 3.35Å; A63-C65 VanDerWaalsContact C-N 3.25Å; A63-C65 PolarHBondContact O-N 2.95Å; C65-L77 CarbonylContact O-C 3.41Å; C65-L77 WeakPolarHBondContact O-CA 3.13Å; C65-T78 PolarHBondContact O-N 2.89Å; C65-D79 HydrophobicContact CB-CB 3.99Å; C65-D79 PolarHBondContact O-N 2.82Å; C65-D79 VanDerWaalsContact O-N 3.1Å; C65-E82 HydrophobicContact CB-CB 3.96Å; C65-E82 HydrophobicContact CB-CG 3.77Å; C65-V83 HydrophobicContact CB-CG2 3.95Å; C65-V83 WeakPolarHBondContact O-CG2 3.28Å |
| 66 | I | 98.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 134.4 | 176.8 | -171.2 | 174.6 | 0 | 0 | 0 | 111 | L53 L56 L57 N62 A63 F75 K76 L77 V83 | L53-I66 HydrophobicContact CB-CD1 4.35Å; L53-I66 HydrophobicContact CD2-CD1 3.82Å; L56-I66 HydrophobicContact CB-CG2 3.55Å; L56-I66 HydrophobicContact CD1-CG2 4Å; L56-I66 HydrophobicContact CG-CG2 4.43Å; L57-I66 HydrophobicContact CD1-CD1 4.01Å; L57-I66 HydrophobicContact CD1-CG1 4.45Å; L57-I66 HydrophobicContact CD2-CD1 4.17Å; L57-I66 HydrophobicContact CD2-CG1 3.74Å; L57-I66 HydrophobicContact CG-CD1 3.76Å; L57-I66 HydrophobicContact CG-CG1 3.9Å; N62-I66 CarbonylContact C-O 3.59Å; N62-I66 HydrophobicContact CB-CG2 4.25Å; N62-I66 PolarHBondContact O-N 2.94Å; A63-I66 WeakPolarHBondContact CA-O 3.32Å; I66-F75 HydrophobicContact CD1-CD2 3.92Å; I66-F75 HydrophobicContact CD1-CE2 4.04Å; I66-F75 HydrophobicContact CG1-CD2 4.09Å; I66-K76 WeakPolarHBondContact CA-O 3.4Å; I66-L77 HydrophobicContact CB-CD2 4.36Å; I66-L77 HydrophobicContact CD1-CD2 3.77Å; I66-L77 HydrophobicContact CG1-CD2 4.01Å; I66-V83 HydrophobicContact CB-CG2 3.99Å; I66-V83 HydrophobicContact CG2-CG2 4.43Å |
| 67 | A | 97.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A63 E69 F75 K76 | A63-A67 HydrophobicContact CB-CB 4.35Å; A67-E69 PolarHBondContact O-N 3.37Å; A67-F75 CarbonylContact O-C 3.57Å; A67-F75 VanDerWaalsContact O-CA 3.3Å; A67-F75 WeakPolarHBondContact O-CA 3.42Å; A67-F75 WeakPolarHBondContact O-CB 3.47Å; A67-K76 PolarHBondContact N-O 2.91Å; A67-K76 PolarHBondContact O-N 3.11Å |
| 68 | W | 96.8 | Very high | 94.7 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 30% | 0.295 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 128.8 | 163.4 | -64.2 | 109.3 | 0 | 0 | 0 | 109.1 | L54 L57 F75 F126 | L54-W68 HydrophobicContact CD2-CH2 3.73Å; L54-W68 HydrophobicContact CD2-CZ2 3.96Å; L57-W68 HydrophobicContact CB-CD2 4.43Å; L57-W68 HydrophobicContact CB-CH2 4.47Å; L57-W68 HydrophobicContact CB-CZ2 3.64Å; L57-W68 HydrophobicContact CD1-CD2 4.36Å; L57-W68 HydrophobicContact CD1-CE3 4.33Å; L57-W68 HydrophobicContact CD1-CH2 3.75Å; L57-W68 HydrophobicContact CD1-CZ2 3.77Å; L57-W68 HydrophobicContact CD1-CZ3 4.03Å; L57-W68 HydrophobicContact CD2-CD2 3.92Å; L57-W68 HydrophobicContact CD2-CE3 4.44Å; L57-W68 HydrophobicContact CD2-CG 4.01Å; L57-W68 HydrophobicContact CG-CD2 4.48Å; L57-W68 HydrophobicContact CG-CZ2 4.18Å; L57-W68 PolarHBondContact O-NE1 3.4Å; W68-F75 HydrophobicContact CE3-CB 3.86Å; W68-F75 HydrophobicContact CZ3-CB 4.15Å; W68-F75 HydrophobicContact CZ3-CD1 4.31Å; W68-F126 AromaticContact CH2-CD2 3.87Å; W68-F126 HydrophobicContact CH2-CD2 3.87Å; W68-F126 HydrophobicContact CH2-CE2 4.2Å; W68-F126 HydrophobicContact CZ3-CD2 4.01Å |
| 69 | E | 93.6 | Very high | 94.9 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | trans | -134.9 | 132.9 | 179.3 | -171.7 | -173.4 | 127.9 | 0 | 0 | 108.4 | A67 E74 K76 K120 | A67-E69 PolarHBondContact O-N 3.37Å; E69-E74 PolarHBondContact N-O 3.39Å; E69-E74 CarbonylContact O-C 3.42Å; E69-E74 WeakPolarHBondContact O-CB 3.48Å; E69-E74 WeakPolarHBondContact O-CG 3.45Å; E69-K76 HydrophobicContact CB-CB 4.3Å; E69-K76 WeakPolarHBondContact OE2-CD 3.46Å; E69-K120 IonicContact OE1-NZ 2.81Å; E69-K120 PolarHBondContact OE1-NZ 2.75Å | ||
| 70 | G | 87.1 | Confident | 95 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 72% | 0.722 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 74.8 | -150.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 71 | G | 89.6 | Confident | 95.3 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 43% | 0.433 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -121.6 | 171.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G73 E74 | G71-G73 PolarHBondContact O-N 2.91Å; G71-E74 WeakPolarHBondContact O-CB 3.32Å; G71-E74 PolarHBondContact O-N 3.34Å |
| 72 | H | 89.7 | Confident | 95.5 | Very high | 167 Ų | 167 | 48.2 Ų | 48.2 | 77% | 0.773 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 42.5 | 172.2 | -58.3 | -95.4 | 0 | 0 | 0 | 115.1 | E74 R125 | H72-E74 VanDerWaalsContact C-N 3.34Å; H72-E74 PolarHBondContact O-N 3.29Å; H72-R125 WeakPolarHBondContact O-CG 3.48Å |
| 73 | G | 93.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 17.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | G71 R125 F126 | G71-G73 PolarHBondContact O-N 2.91Å; G73-R125 WeakPolarHBondContact O-CA 3.49Å; G73-F126 PolarHBondContact O-N 3.16Å |
| 74 | E | 97.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 45 Ų | 45 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 135.7 | 168.4 | -178.9 | 176.5 | 143.9 | 0 | 0 | 111 | E69 G71 H72 V117 K120 Y124 R125 | E69-E74 PolarHBondContact N-O 3.39Å; E69-E74 CarbonylContact O-C 3.42Å; E69-E74 WeakPolarHBondContact O-CB 3.48Å; E69-E74 WeakPolarHBondContact O-CG 3.45Å; G71-E74 WeakPolarHBondContact O-CB 3.32Å; G71-E74 PolarHBondContact O-N 3.34Å; H72-E74 VanDerWaalsContact C-N 3.34Å; H72-E74 PolarHBondContact O-N 3.29Å; E74-V117 HydrophobicContact CG-CG2 3.95Å; E74-K120 IonicContact OE1-NZ 2.73Å; E74-K120 PolarHBondContact OE1-NZ 3.13Å; E74-Y124 CarbonylContact C-O 3.58Å; E74-Y124 WeakPolarHBondContact CA-O 3.49Å; E74-R125 HydrophobicContact CB-CB 4.41Å; E74-R125 HydrophobicContact CB-CG 4.32Å |
| 75 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 160.4 | 178.3 | 71.5 | -86.6 | 0 | 0 | 0 | 110.6 | L53 L57 I66 A67 W68 A123 Y124 F126 | L53-F75 HydrophobicContact CD1-CE2 4.34Å; L53-F75 HydrophobicContact CD1-CZ 4.15Å; L57-F75 HydrophobicContact CD1-CB 3.88Å; L57-F75 HydrophobicContact CD1-CD1 4.12Å; L57-F75 HydrophobicContact CD1-CD2 3.97Å; L57-F75 HydrophobicContact CD1-CG 3.73Å; L57-F75 HydrophobicContact CD2-CB 3.92Å; I66-F75 HydrophobicContact CD1-CD2 3.92Å; I66-F75 HydrophobicContact CD1-CE2 4.04Å; I66-F75 HydrophobicContact CG1-CD2 4.09Å; A67-F75 CarbonylContact O-C 3.57Å; A67-F75 VanDerWaalsContact O-CA 3.3Å; A67-F75 WeakPolarHBondContact O-CA 3.42Å; A67-F75 WeakPolarHBondContact O-CB 3.47Å; W68-F75 HydrophobicContact CE3-CB 3.86Å; W68-F75 HydrophobicContact CZ3-CB 4.15Å; W68-F75 HydrophobicContact CZ3-CD1 4.31Å; F75-A123 WeakPolarHBondContact O-CA 3.42Å; F75-Y124 WeakPolarHBondContact CD1-O 3.44Å; F75-Y124 HydrophobicContact CE2-CD2 4.24Å; F75-Y124 HydrophobicContact CZ-CD2 4.38Å; F75-Y124 HydrophobicContact CZ-CG 4.22Å; F75-Y124 PolarHBondContact N-O 2.73Å; F75-Y124 PolarHBondContact O-N 2.77Å; F75-F126 AromaticContact CD1-CD2 3.65Å; F75-F126 HydrophobicContact CD1-CD2 3.65Å; F75-F126 AromaticContact CD1-CE2 3.68Å; F75-F126 HydrophobicContact CD1-CE2 3.68Å; F75-F126 AromaticContact CE1-CD2 3.46Å; F75-F126 HydrophobicContact CE1-CD2 3.46Å; F75-F126 VanDerWaalsContact CE1-CD2 3.46Å; F75-F126 AromaticContact CE1-CE2 3.27Å; F75-F126 HydrophobicContact CE1-CE2 3.27Å; F75-F126 HydrophobicContact CE1-CG 4.32Å; F75-F126 HydrophobicContact CE1-CZ 4.01Å; F75-F126 AromaticContact CZ-CE2 3.93Å; F75-F126 HydrophobicContact CZ-CE2 3.93Å; F75-F126 HydrophobicContact CZ-CZ 4.35Å |
| 76 | K | 97.4 | Very high | 96 | Very high | 72 Ų | 72 | 51.1 Ų | 51.1 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.1 | 178.2 | -176.8 | -178.7 | 173.2 | -170.4 | 0 | 110.8 | I66 A67 E69 T78 | I66-K76 WeakPolarHBondContact CA-O 3.4Å; A67-K76 PolarHBondContact N-O 2.91Å; A67-K76 PolarHBondContact O-N 3.11Å; E69-K76 HydrophobicContact CB-CB 4.3Å; E69-K76 WeakPolarHBondContact OE2-CD 3.46Å; K76-T78 PolarHBondContact O-N 2.72Å |
| 77 | L | 97.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 103 | 166.8 | -52.8 | 158 | 0 | 0 | 0 | 107.4 | L53 C65 I66 P80 V83 Y98 Y122 Y124 | L53-L77 HydrophobicContact CD2-CD2 4.47Å; C65-L77 CarbonylContact O-C 3.41Å; C65-L77 WeakPolarHBondContact O-CA 3.13Å; I66-L77 HydrophobicContact CB-CD2 4.36Å; I66-L77 HydrophobicContact CD1-CD2 3.77Å; I66-L77 HydrophobicContact CG1-CD2 4.01Å; L77-P80 HydrophobicContact CB-CB 4.27Å; L77-V83 HydrophobicContact CD2-CB 3.96Å; L77-V83 HydrophobicContact CD2-CG1 3.73Å; L77-V83 HydrophobicContact CD2-CG2 3.72Å; L77-Y98 HydrophobicContact CD1-CD2 4.43Å; L77-Y98 HydrophobicContact CD1-CE2 3.77Å; L77-Y122 PolarHBondContact N-O 3.27Å; L77-Y124 HydrophobicContact CD1-CD2 4.29Å; L77-Y124 HydrophobicContact CD1-CE2 3.73Å |
| 78 | T | 97.6 | Very high | 95.8 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -67.2 | -42.9 | 175.9 | -50 | 0 | 0 | 0 | 0 | 110.3 | A63 G64 C65 K76 | A63-T78 PolarHBondContact O-OG1 3.46Å; G64-T78 WeakPolarHBondContact O-CB 3.4Å; C65-T78 PolarHBondContact O-N 2.89Å; K76-T78 PolarHBondContact O-N 2.72Å |
| 79 | D | 98 | Very high | 95.8 | Very high | 68 Ų | 68 | 52.7 Ų | 52.7 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -124 | 91.7 | 173.7 | -171.5 | -23 | 0 | 0 | 0 | 108.7 | C65 D81 E82 V83 | C65-D79 HydrophobicContact CB-CB 3.99Å; C65-D79 PolarHBondContact O-N 2.82Å; C65-D79 VanDerWaalsContact O-N 3.1Å; D79-D81 PolarHBondContact O-N 3.08Å; D79-D81 PolarHBondContact OD1-N 3.45Å; D79-D81 VanDerWaalsContact OD1-N 3.15Å; D79-E82 HydrophobicContact CB-CB 4.03Å; D79-E82 PolarHBondContact O-N 3.31Å; D79-E82 PolarHBondContact OD1-N 3.48Å; D79-V83 WeakPolarHBondContact O-CG2 3.29Å; D79-V83 PolarHBondContact O-N 3.19Å |
| 80 | P | 97.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -26.9 | -177.9 | 25.7 | -33.1 | 0 | 0 | 0 | 113.2 | L77 A84 Y98 Y122 | L77-P80 HydrophobicContact CB-CB 4.27Å; P80-A84 WeakPolarHBondContact O-CB 3.28Å; P80-A84 PolarHBondContact O-N 2.85Å; P80-A84 VanDerWaalsContact O-N 3.08Å; P80-Y98 HydrophobicContact CB-CD2 3.46Å; P80-Y98 VanDerWaalsContact CB-CD2 3.46Å; P80-Y98 HydrophobicContact CB-CE2 3.94Å; P80-Y98 HydrophobicContact CB-CG 3.83Å; P80-Y122 HydrophobicContact CB-CD1 4.35Å; P80-Y122 HydrophobicContact CG-CD1 4.35Å; P80-Y122 HydrophobicContact CG-CD2 4.28Å; P80-Y122 HydrophobicContact CG-CE1 4.27Å; P80-Y122 HydrophobicContact CG-CE2 4.22Å; P80-Y122 HydrophobicContact CG-CG 4.35Å |
| 81 | D | 98.1 | Very high | 96 | Very high | 106 Ų | 106 | 52.6 Ų | 52.6 | 57% | 0.567 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -76.2 | -42.1 | -179 | -68.3 | -44.1 | 0 | 0 | 0 | 110.7 | D79 V83 A84 R85 | D79-D81 PolarHBondContact O-N 3.08Å; D79-D81 PolarHBondContact OD1-N 3.45Å; D79-D81 VanDerWaalsContact OD1-N 3.15Å; D81-V83 VanDerWaalsContact C-N 3.34Å; D81-V83 PolarHBondContact O-N 3.23Å; D81-A84 PolarHBondContact O-N 2.78Å; D81-R85 WeakPolarHBondContact O-CB 3.48Å; D81-R85 PolarHBondContact O-N 3.01Å |
| 82 | E | 97.9 | Very high | 96.1 | Very high | 44 Ų | 44 | 55.7 Ų | 55.7 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 174.3 | 177.6 | 56.9 | -165.5 | 0 | 0 | 111.9 | C65 D79 A84 R85 R86 | C65-E82 HydrophobicContact CB-CB 3.96Å; C65-E82 HydrophobicContact CB-CG 3.77Å; D79-E82 HydrophobicContact CB-CB 4.03Å; D79-E82 PolarHBondContact O-N 3.31Å; D79-E82 PolarHBondContact OD1-N 3.48Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 2.78Å; E82-R85 PolarHBondContact O-N 3.24Å; E82-R85 IonicContact OE1-CZ 3.59Å; E82-R85 IonicContact OE1-NE 3.56Å; E82-R85 IonicContact OE1-NH2 2.78Å; E82-R85 PolarHBondContact OE1-NH2 3.48Å; E82-R85 IonicContact OE2-CZ 3.61Å; E82-R85 IonicContact OE2-NE 2.78Å; E82-R85 PolarHBondContact OE2-NE 3.15Å; E82-R85 IonicContact OE2-NH2 3.55Å; E82-R86 WeakPolarHBondContact O-CG 3.37Å; E82-R86 PolarHBondContact O-N 3.34Å; E82-R86 WeakPolarHBondContact OE1-CG 3.46Å; E82-R86 IonicContact OE1-CZ 3.4Å; E82-R86 IonicContact OE1-NE 2.84Å; E82-R86 PolarHBondContact OE1-NE 3.28Å; E82-R86 IonicContact OE1-NH2 2.71Å |
| 83 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 174 | 176.2 | 0 | 0 | 0 | 0 | 111 | F52 L53 L56 C65 I66 L77 D79 D81 W87 L101 | F52-V83 HydrophobicContact CE1-CG1 4.43Å; L53-V83 HydrophobicContact CD2-CG1 3.75Å; L56-V83 HydrophobicContact CD1-CG1 4.31Å; C65-V83 HydrophobicContact CB-CG2 3.95Å; C65-V83 WeakPolarHBondContact O-CG2 3.28Å; I66-V83 HydrophobicContact CB-CG2 3.99Å; I66-V83 HydrophobicContact CG2-CG2 4.43Å; L77-V83 HydrophobicContact CD2-CB 3.96Å; L77-V83 HydrophobicContact CD2-CG1 3.73Å; L77-V83 HydrophobicContact CD2-CG2 3.72Å; D79-V83 WeakPolarHBondContact O-CG2 3.29Å; D79-V83 PolarHBondContact O-N 3.19Å; D81-V83 VanDerWaalsContact C-N 3.34Å; D81-V83 PolarHBondContact O-N 3.23Å; V83-W87 WeakPolarHBondContact O-CB 3.46Å; V83-W87 PolarHBondContact O-N 2.78Å; V83-L101 HydrophobicContact CG1-CD1 4.15Å |
| 84 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | P80 D81 E82 W87 G88 M96 L101 | P80-A84 WeakPolarHBondContact O-CB 3.28Å; P80-A84 PolarHBondContact O-N 2.85Å; P80-A84 VanDerWaalsContact O-N 3.08Å; D81-A84 PolarHBondContact O-N 2.78Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 2.78Å; A84-W87 PolarHBondContact O-N 2.95Å; A84-G88 PolarHBondContact O-N 2.95Å; A84-M96 HydrophobicContact CB-CG 4.46Å; A84-M96 WeakPolarHBondContact O-CG 3.43Å; A84-L101 HydrophobicContact CB-CD1 4.21Å |
| 85 | R | 97.8 | Very high | 95.9 | Very high | 117 Ų | 117 | 62.4 Ų | 62.4 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 175.6 | -169.1 | -162.2 | 66.5 | 70.8 | 1.6 | 111 | D81 E82 W87 G88 E89 | D81-R85 WeakPolarHBondContact O-CB 3.48Å; D81-R85 PolarHBondContact O-N 3.01Å; E82-R85 PolarHBondContact O-N 3.24Å; E82-R85 IonicContact OE1-CZ 3.59Å; E82-R85 IonicContact OE1-NE 3.56Å; E82-R85 IonicContact OE1-NH2 2.78Å; E82-R85 PolarHBondContact OE1-NH2 3.48Å; E82-R85 IonicContact OE2-CZ 3.61Å; E82-R85 IonicContact OE2-NE 2.78Å; E82-R85 PolarHBondContact OE2-NE 3.15Å; E82-R85 IonicContact OE2-NH2 3.55Å; R85-W87 VanDerWaalsContact C-N 3.3Å; R85-W87 PolarHBondContact O-N 2.86Å; R85-G88 CarbonylContact O-C 3.59Å; R85-G88 WeakPolarHBondContact O-CA 3.45Å; R85-G88 PolarHBondContact O-N 2.98Å; R85-G88 VanDerWaalsContact O-N 3.09Å; R85-E89 IonicContact CZ-OE2 3.76Å; R85-E89 IonicContact NH1-OE2 2.85Å; R85-E89 PolarHBondContact NH1-OE2 3.3Å; R85-E89 IonicContact NH2-OE2 3.81Å; R85-E89 PolarHBondContact O-N 3.43Å |
| 86 | R | 97 | Very high | 95.9 | Very high | 78 Ų | 78 | 63.6 Ų | 63.6 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 177.5 | -69.5 | -176 | -177.4 | -155.9 | 3.4 | 112.5 | F52 N62 E82 E89 R90 | F52-R86 HydrophobicContact CZ-CB 3.86Å; N62-R86 PolarHBondContact OD1-NH1 3.49Å; E82-R86 WeakPolarHBondContact O-CG 3.37Å; E82-R86 PolarHBondContact O-N 3.34Å; E82-R86 WeakPolarHBondContact OE1-CG 3.46Å; E82-R86 IonicContact OE1-CZ 3.4Å; E82-R86 IonicContact OE1-NE 2.84Å; E82-R86 PolarHBondContact OE1-NE 3.28Å; E82-R86 IonicContact OE1-NH2 2.71Å; R86-E89 PolarHBondContact O-N 3Å; R86-R90 WeakPolarHBondContact O-CB 3.16Å; R86-R90 PolarHBondContact O-N 2.92Å |
| 87 | W | 96.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 2% | 0.023 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 172.7 | 177.5 | -123.1 | 0 | 0 | 0 | 111.9 | W33 I47 L49 F52 V83 A84 R85 R90 K91 L101 | W33-W87 HydrophobicContact CH2-CZ2 4.28Å; I47-W87 HydrophobicContact CG2-CH2 4.47Å; I47-W87 HydrophobicContact CG2-CZ3 3.95Å; I47-W87 WeakPolarHBondContact O-CH2 3.43Å; L49-W87 HydrophobicContact CB-CH2 4.15Å; L49-W87 HydrophobicContact CB-CZ2 3.97Å; L49-W87 HydrophobicContact CD1-CD2 3.88Å; L49-W87 HydrophobicContact CD1-CE3 4.23Å; L49-W87 HydrophobicContact CD1-CG 4.14Å; L49-W87 HydrophobicContact CD1-CZ2 4.39Å; F52-W87 HydrophobicContact CB-CE3 3.8Å; F52-W87 HydrophobicContact CB-CZ3 3.54Å; F52-W87 HydrophobicContact CD1-CB 4.3Å; F52-W87 HydrophobicContact CD1-CD2 4.19Å; F52-W87 AromaticContact CD1-CE3 3.44Å; F52-W87 HydrophobicContact CD1-CE3 3.44Å; F52-W87 VanDerWaalsContact CD1-CE3 3.44Å; F52-W87 HydrophobicContact CD1-CZ3 4.1Å; F52-W87 HydrophobicContact CD2-CE3 4.01Å; F52-W87 HydrophobicContact CD2-CZ3 4.34Å; F52-W87 HydrophobicContact CE1-CB 3.72Å; F52-W87 HydrophobicContact CE1-CD2 4.47Å; F52-W87 AromaticContact CE1-CE3 3.95Å; F52-W87 HydrophobicContact CE1-CE3 3.95Å; F52-W87 HydrophobicContact CE1-CG 4.44Å; F52-W87 HydrophobicContact CE2-CE3 4.45Å; F52-W87 AromaticContact CG-CE3 3.46Å; F52-W87 HydrophobicContact CG-CE3 3.46Å; F52-W87 VanDerWaalsContact CG-CE3 3.46Å; F52-W87 AromaticContact CG-CZ3 3.74Å; F52-W87 HydrophobicContact CG-CZ3 3.74Å; F52-W87 HydrophobicContact CZ-CB 4.17Å; F52-W87 HydrophobicContact CZ-CE3 4.41Å; V83-W87 WeakPolarHBondContact O-CB 3.46Å; V83-W87 PolarHBondContact O-N 2.78Å; A84-W87 PolarHBondContact O-N 2.95Å; R85-W87 VanDerWaalsContact C-N 3.3Å; R85-W87 PolarHBondContact O-N 2.86Å; W87-R90 HydrophobicContact CE3-CB 4.45Å; W87-R90 HydrophobicContact CZ3-CG 4.43Å; W87-R90 PolarHBondContact O-N 3.4Å; W87-K91 HydrophobicContact CD2-CG 4.21Å; W87-K91 HydrophobicContact CE3-CG 4.24Å; W87-K91 HydrophobicContact CH2-CD 4.09Å; W87-K91 HydrophobicContact CH2-CG 3.64Å; W87-K91 HydrophobicContact CZ2-CD 4.29Å; W87-K91 HydrophobicContact CZ2-CG 3.57Å; W87-K91 HydrophobicContact CZ3-CG 3.98Å; W87-K91 WeakPolarHBondContact O-CB 3.48Å; W87-K91 PolarHBondContact O-N 3.2Å; W87-L101 HydrophobicContact CB-CD1 3.96Å; W87-L101 HydrophobicContact CG-CD1 4.13Å |
| 88 | G | 95.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.9 | -48.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A84 R85 K91 S92 K93 M96 | A84-G88 PolarHBondContact O-N 2.95Å; R85-G88 CarbonylContact O-C 3.59Å; R85-G88 WeakPolarHBondContact O-CA 3.45Å; R85-G88 PolarHBondContact O-N 2.98Å; R85-G88 VanDerWaalsContact O-N 3.09Å; G88-K91 CarbonylContact O-C 3.5Å; G88-K91 PolarHBondContact O-N 3.42Å; G88-S92 CarbonylContact O-C 3.52Å; G88-S92 WeakPolarHBondContact O-CA 3.36Å; G88-S92 PolarHBondContact O-N 3.37Å; G88-K93 WeakPolarHBondContact CA-O 3.5Å; G88-K93 PolarHBondContact O-N 3.03Å; G88-M96 VanDerWaalsContact CA-CB 3.48Å |
| 89 | E | 95.3 | Very high | 95.9 | Very high | 127 Ų | 127 | 66.1 Ų | 66.1 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.1 | -49.8 | 175.8 | -175.3 | 171.6 | -169.2 | 0 | 0 | 111.8 | R85 R86 K91 S92 | R85-E89 IonicContact CZ-OE2 3.76Å; R85-E89 IonicContact NH1-OE2 2.85Å; R85-E89 PolarHBondContact NH1-OE2 3.3Å; R85-E89 IonicContact NH2-OE2 3.81Å; R85-E89 PolarHBondContact O-N 3.43Å; R86-E89 PolarHBondContact O-N 3Å; E89-K91 PolarHBondContact O-N 2.96Å; E89-S92 PolarHBondContact O-N 3.42Å; E89-S92 VanDerWaalsContact O-N 3.16Å |
| 90 | R | 93.8 | Very high | 95.8 | Very high | 61 Ų | 61 | 68.3 Ų | 68.3 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.2 | -32.6 | 178.3 | -179.4 | 63 | 70.8 | 96.5 | 2.1 | 113.3 | I47 F52 E55 R86 W87 | I47-R90 HydrophobicContact CG2-CG 3.46Å; I47-R90 VanDerWaalsContact CG2-CG 3.46Å; F52-R90 HydrophobicContact CD2-CB 4.37Å; F52-R90 HydrophobicContact CD2-CG 4.11Å; F52-R90 HydrophobicContact CE2-CB 4.15Å; F52-R90 HydrophobicContact CE2-CG 4.37Å; E55-R90 IonicContact OE1-CZ 2.78Å; E55-R90 IonicContact OE1-NH1 3.58Å; E55-R90 PolarHBondContact OE1-NH1 2.9Å; E55-R90 IonicContact OE1-NH2 3.68Å; E55-R90 PolarHBondContact OE1-NH2 3.45Å; E55-R90 IonicContact OE2-CZ 3.54Å; E55-R90 IonicContact OE2-NH1 3.52Å; E55-R90 PolarHBondContact OE2-NH1 2.98Å; E55-R90 IonicContact OE2-NH2 3.6Å; R86-R90 WeakPolarHBondContact O-CB 3.16Å; R86-R90 PolarHBondContact O-N 2.92Å; W87-R90 HydrophobicContact CE3-CB 4.45Å; W87-R90 HydrophobicContact CZ3-CG 4.43Å; W87-R90 PolarHBondContact O-N 3.4Å |
| 91 | K | 91.2 | Very high | 95.8 | Very high | 71 Ų | 71 | 67.7 Ų | 67.7 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -100.8 | 1.8 | -179 | -81.1 | -58.8 | -40.5 | -176.9 | 0 | 114.2 | G45 W87 G88 E89 K93 | G45-K91 WeakPolarHBondContact O-CD 3.4Å; G45-K91 WeakPolarHBondContact O-CE 3.4Å; G45-K91 PolarHBondContact O-NZ 3.34Å; W87-K91 HydrophobicContact CD2-CG 4.21Å; W87-K91 HydrophobicContact CE3-CG 4.24Å; W87-K91 HydrophobicContact CH2-CD 4.09Å; W87-K91 HydrophobicContact CH2-CG 3.64Å; W87-K91 HydrophobicContact CZ2-CD 4.29Å; W87-K91 HydrophobicContact CZ2-CG 3.57Å; W87-K91 HydrophobicContact CZ3-CG 3.98Å; W87-K91 WeakPolarHBondContact O-CB 3.48Å; W87-K91 PolarHBondContact O-N 3.2Å; G88-K91 CarbonylContact O-C 3.5Å; G88-K91 PolarHBondContact O-N 3.42Å; E89-K91 PolarHBondContact O-N 2.96Å; K91-K93 VanDerWaalsContact C-N 3.29Å; K91-K93 HydrophobicContact CB-CD 4.09Å; K91-K93 HydrophobicContact CB-CG 4.06Å; K91-K93 PolarHBondContact O-N 3.09Å |
| 92 | S | 91.6 | Very high | 95.8 | Very high | 108 Ų | 108 | 62.7 Ų | 62.7 | 76% | 0.755 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42.8 | -170.8 | -52 | 0 | 0 | 0 | 0 | 113.7 | G88 E89 P94 | G88-S92 CarbonylContact O-C 3.52Å; G88-S92 WeakPolarHBondContact O-CA 3.36Å; G88-S92 PolarHBondContact O-N 3.37Å; E89-S92 PolarHBondContact O-N 3.42Å; E89-S92 VanDerWaalsContact O-N 3.16Å; S92-P94 WeakPolarHBondContact O-CD 3.4Å |
| 93 | K | 92 | Very high | 95.8 | Very high | 102 Ų | 102 | 66.1 Ų | 66.1 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | trans | -113 | 91.2 | 178.5 | -64.8 | -177.5 | 73.5 | 171.9 | 0 | 109.6 | G88 K91 N95 M96 | G88-K93 WeakPolarHBondContact CA-O 3.5Å; G88-K93 PolarHBondContact O-N 3.03Å; K91-K93 VanDerWaalsContact C-N 3.29Å; K91-K93 HydrophobicContact CB-CD 4.09Å; K91-K93 HydrophobicContact CB-CG 4.06Å; K91-K93 PolarHBondContact O-N 3.09Å; K93-N95 VanDerWaalsContact C-N 3.27Å; K93-N95 PolarHBondContact O-N 3.23Å; K93-M96 HydrophobicContact CB-CB 4.44Å; K93-M96 HydrophobicContact CB-CE 3.99Å; K93-M96 HydrophobicContact CD-CE 3.7Å; K93-M96 HydrophobicContact CG-CE 4.43Å; K93-M96 VanDerWaalsContact O-CB 3.28Å; K93-M96 WeakPolarHBondContact O-CB 3.32Å; K93-M96 PolarHBondContact O-N 3.29Å | ||
| 94 | P | 89.3 | Confident | 95.6 | Very high | 121 Ų | 121 | 66.7 Ų | 66.7 | 79% | 0.786 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.2 | -172.5 | 25.2 | -34.5 | 0 | 0 | 0 | 113.4 | S92 M96 | S92-P94 WeakPolarHBondContact O-CD 3.4Å; P94-M96 PolarHBondContact O-N 3.09Å |
| 95 | N | 94.5 | Very high | 95.5 | Very high | 128 Ų | 128 | 66.7 Ų | 66.7 | 68% | 0.684 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 29.7 | 178.4 | -60.1 | -25.9 | 0 | 0 | 0 | 112.4 | K93 K100 | K93-N95 VanDerWaalsContact C-N 3.27Å; K93-N95 PolarHBondContact O-N 3.23Å; N95-K100 WeakPolarHBondContact O-CD 3.33Å; N95-K100 PolarHBondContact O-NZ 3.37Å |
| 96 | M | 97.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 66.6 Ų | 66.6 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | trans | -78.2 | 137.4 | 175.4 | -171.8 | 60.5 | 68.8 | 0 | 0 | 110.2 | A84 G88 K93 P94 K100 | A84-M96 HydrophobicContact CB-CG 4.46Å; A84-M96 WeakPolarHBondContact O-CG 3.43Å; G88-M96 VanDerWaalsContact CA-CB 3.48Å; K93-M96 HydrophobicContact CB-CB 4.44Å; K93-M96 HydrophobicContact CB-CE 3.99Å; K93-M96 HydrophobicContact CD-CE 3.7Å; K93-M96 HydrophobicContact CG-CE 4.43Å; K93-M96 VanDerWaalsContact O-CB 3.28Å; K93-M96 WeakPolarHBondContact O-CB 3.32Å; K93-M96 PolarHBondContact O-N 3.29Å; P94-M96 PolarHBondContact O-N 3.09Å; M96-K100 HydrophobicContact SD-CB 3.99Å | ||
| 97 | N | 98.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | trans | -146.9 | 173.6 | 177.3 | 66.1 | 11.5 | 0 | 0 | 0 | 110.2 | D99 K100 L101 | N97-D99 VanDerWaalsContact C-N 3.34Å; N97-D99 PolarHBondContact O-N 2.98Å; N97-D99 PolarHBondContact OD1-N 3.38Å; N97-K100 PolarHBondContact O-N 3.33Å; N97-K100 WeakPolarHBondContact OD1-CB 3.09Å; N97-K100 VanDerWaalsContact OD1-CG 3.26Å; N97-K100 WeakPolarHBondContact OD1-CG 3.14Å; N97-K100 PolarHBondContact OD1-N 3.14Å; N97-L101 WeakPolarHBondContact O-CB 3.48Å; N97-L101 PolarHBondContact O-N 3.39Å | ||
| 98 | Y | 98 | Very high | 95.3 | Very high | 36 Ų | 36 | 68.1 Ų | 68.1 | 14% | 0.141 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -36.5 | -178.5 | 177 | -103 | 0 | 0 | 0 | 112.9 | L77 P80 K100 L101 S102 Y122 Y124 | L77-Y98 HydrophobicContact CD1-CD2 4.43Å; L77-Y98 HydrophobicContact CD1-CE2 3.77Å; P80-Y98 HydrophobicContact CB-CD2 3.46Å; P80-Y98 VanDerWaalsContact CB-CD2 3.46Å; P80-Y98 HydrophobicContact CB-CE2 3.94Å; P80-Y98 HydrophobicContact CB-CG 3.83Å; Y98-K100 VanDerWaalsContact C-N 3.32Å; Y98-K100 PolarHBondContact O-N 3.09Å; Y98-L101 PolarHBondContact O-N 3.48Å; Y98-S102 WeakPolarHBondContact O-CB 3.3Å; Y98-S102 PolarHBondContact O-N 2.84Å; Y98-S102 PolarHBondContact O-OG 3.38Å; Y98-S102 VanDerWaalsContact O-OG 3.11Å; Y98-Y122 HydrophobicContact CD1-CE1 4.17Å; Y98-Y122 AromaticContact CE1-CD1 3.84Å; Y98-Y122 HydrophobicContact CE1-CD1 3.84Å; Y98-Y122 AromaticContact CE1-CE1 3.55Å; Y98-Y122 HydrophobicContact CE1-CE1 3.55Å; Y98-Y122 HydrophobicContact CE2-CD1 4.07Å; Y98-Y122 HydrophobicContact CE2-CE1 4.5Å; Y98-Y122 AromaticContact CZ-CD1 3.49Å; Y98-Y122 VanDerWaalsContact CZ-CD1 3.49Å; Y98-Y122 AromaticContact CZ-CE1 3.74Å; Y98-Y122 WeakPolarHBondContact OH-CD1 3.49Å; Y98-Y124 PolarHBondContact OH-OH 3.05Å |
| 99 | D | 97.5 | Very high | 95.3 | Very high | 115 Ų | 115 | 71 Ų | 71 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.2 | -45.6 | 177.2 | -66.8 | -72.6 | 0 | 0 | 0 | 112.2 | N97 S102 R103 | N97-D99 VanDerWaalsContact C-N 3.34Å; N97-D99 PolarHBondContact O-N 2.98Å; N97-D99 PolarHBondContact OD1-N 3.38Å; D99-S102 PolarHBondContact O-OG 3.24Å; D99-R103 PolarHBondContact O-N 2.85Å; D99-R103 VanDerWaalsContact O-N 3.09Å |
| 100 | K | 96.5 | Very high | 95.1 | Very high | 115 Ų | 115 | 71.9 Ų | 71.9 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 178.2 | -68.4 | 170.3 | -170.4 | 175.2 | 0 | 111.9 | N95 M96 N97 Y98 R103 A104 | N95-K100 WeakPolarHBondContact O-CD 3.33Å; N95-K100 PolarHBondContact O-NZ 3.37Å; M96-K100 HydrophobicContact SD-CB 3.99Å; N97-K100 PolarHBondContact O-N 3.33Å; N97-K100 WeakPolarHBondContact OD1-CB 3.09Å; N97-K100 VanDerWaalsContact OD1-CG 3.26Å; N97-K100 WeakPolarHBondContact OD1-CG 3.14Å; N97-K100 PolarHBondContact OD1-N 3.14Å; Y98-K100 VanDerWaalsContact C-N 3.32Å; Y98-K100 PolarHBondContact O-N 3.09Å; K100-R103 WeakPolarHBondContact O-CB 3.38Å; K100-R103 PolarHBondContact O-N 3.09Å; K100-A104 PolarHBondContact O-N 3.39Å |
| 101 | L | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 177.1 | -175.5 | 153.1 | 0 | 0 | 0 | 110.8 | L49 V83 A84 W87 N97 Y98 R103 A104 L105 | L49-L101 HydrophobicContact CD1-CD1 4.06Å; L49-L101 HydrophobicContact CD1-CG 4.08Å; L49-L101 HydrophobicContact CD2-CD2 4.35Å; L49-L101 HydrophobicContact CD2-CG 4.09Å; V83-L101 HydrophobicContact CG1-CD1 4.15Å; A84-L101 HydrophobicContact CB-CD1 4.21Å; W87-L101 HydrophobicContact CB-CD1 3.96Å; W87-L101 HydrophobicContact CG-CD1 4.13Å; N97-L101 WeakPolarHBondContact O-CB 3.48Å; N97-L101 PolarHBondContact O-N 3.39Å; Y98-L101 PolarHBondContact O-N 3.48Å; L101-R103 PolarHBondContact O-N 3.04Å; L101-A104 WeakPolarHBondContact O-CA 3.32Å; L101-A104 WeakPolarHBondContact O-CB 3.43Å; L101-A104 PolarHBondContact O-N 2.92Å; L101-L105 HydrophobicContact CD2-CD1 3.56Å; L101-L105 HydrophobicContact CD2-CD2 4.44Å; L101-L105 HydrophobicContact CD2-CG 3.88Å; L101-L105 PolarHBondContact O-N 3.23Å |
| 102 | S | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.1 | -29.1 | 178.2 | 76.2 | 0 | 0 | 0 | 0 | 111.8 | Y98 D99 A104 L105 R106 | Y98-S102 WeakPolarHBondContact O-CB 3.3Å; Y98-S102 PolarHBondContact O-N 2.84Å; Y98-S102 PolarHBondContact O-OG 3.38Å; Y98-S102 VanDerWaalsContact O-OG 3.11Å; D99-S102 PolarHBondContact O-OG 3.24Å; S102-A104 VanDerWaalsContact C-N 3.34Å; S102-L105 PolarHBondContact O-N 3.05Å; S102-R106 WeakPolarHBondContact O-CG 3.41Å; S102-R106 PolarHBondContact O-N 3.31Å; S102-R106 VanDerWaalsContact O-N 3.09Å; S102-R106 PolarHBondContact O-NH1 3.38Å; S102-R106 VanDerWaalsContact O-NH1 3.09Å; S102-R106 PolarHBondContact OG-NH1 3.44Å |
| 103 | R | 97.1 | Very high | 95.1 | Very high | 116 Ų | 116 | 71.2 Ų | 71.2 | 44% | 0.438 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 172.4 | -171.5 | 66.1 | -171.2 | 93.4 | -12.1 | 111.8 | D99 K100 L101 R106 Y107 | D99-R103 PolarHBondContact O-N 2.85Å; D99-R103 VanDerWaalsContact O-N 3.09Å; K100-R103 WeakPolarHBondContact O-CB 3.38Å; K100-R103 PolarHBondContact O-N 3.09Å; L101-R103 PolarHBondContact O-N 3.04Å; R103-R106 PolarHBondContact O-N 3.38Å; R103-Y107 HydrophobicContact CG-CE2 3.99Å; R103-Y107 VanDerWaalsContact NH1-CE2 3.34Å; R103-Y107 PolarHBondContact NH2-OH 3.36Å; R103-Y107 VanDerWaalsContact NH2-OH 3.13Å; R103-Y107 WeakPolarHBondContact O-CD2 3.5Å |
| 104 | A | 94.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L49 K100 L101 S102 R106 Y107 | L49-A104 HydrophobicContact CD2-CB 3.57Å; K100-A104 PolarHBondContact O-N 3.39Å; L101-A104 WeakPolarHBondContact O-CA 3.32Å; L101-A104 WeakPolarHBondContact O-CB 3.43Å; L101-A104 PolarHBondContact O-N 2.92Å; S102-A104 VanDerWaalsContact C-N 3.34Å; A104-R106 VanDerWaalsContact C-N 3.3Å; A104-R106 PolarHBondContact O-N 3.35Å; A104-Y107 WeakPolarHBondContact O-CB 3.26Å; A104-Y107 PolarHBondContact O-N 3.24Å; A104-Y107 VanDerWaalsContact O-N 3.14Å |
| 105 | L | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 176 | -62 | 178.3 | 0 | 0 | 0 | 112.7 | L49 L53 L101 S102 Y107 Y108 Y109 M114 Y124 | L49-L105 HydrophobicContact CD2-CD2 3.59Å; L49-L105 HydrophobicContact CD2-CG 4.04Å; L49-L105 HydrophobicContact CG-CD2 4.13Å; L53-L105 HydrophobicContact CD1-CD2 3.61Å; L101-L105 HydrophobicContact CD2-CD1 3.56Å; L101-L105 HydrophobicContact CD2-CD2 4.44Å; L101-L105 HydrophobicContact CD2-CG 3.88Å; L101-L105 PolarHBondContact O-N 3.23Å; S102-L105 PolarHBondContact O-N 3.05Å; L105-Y107 VanDerWaalsContact C-N 3.26Å; L105-Y107 PolarHBondContact O-N 2.94Å; L105-Y108 HydrophobicContact CD2-CD2 4.36Å; L105-Y108 WeakPolarHBondContact O-CB 3.49Å; L105-Y108 PolarHBondContact O-N 3.05Å; L105-Y109 WeakPolarHBondContact O-CE1 3.34Å; L105-M114 HydrophobicContact CB-SD 4.36Å; L105-M114 HydrophobicContact CD2-CE 4.04Å; L105-M114 HydrophobicContact CD2-SD 3.57Å; L105-M114 VanDerWaalsContact CD2-SD 3.57Å; L105-Y124 HydrophobicContact CB-CE1 4.13Å; L105-Y124 HydrophobicContact CD1-CD1 4.37Å; L105-Y124 HydrophobicContact CD1-CD2 4.39Å; L105-Y124 HydrophobicContact CD1-CE1 3.81Å; L105-Y124 HydrophobicContact CD1-CE2 3.87Å |
| 106 | R | 96.5 | Very high | 95.8 | Very high | 115 Ų | 115 | 60.9 Ų | 60.9 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -32.4 | 177.2 | -70.7 | 179.8 | -169.4 | 92 | -11.1 | 112.8 | S102 R103 A104 Y108 Y109 | S102-R106 WeakPolarHBondContact O-CG 3.41Å; S102-R106 PolarHBondContact O-N 3.31Å; S102-R106 VanDerWaalsContact O-N 3.09Å; S102-R106 PolarHBondContact O-NH1 3.38Å; S102-R106 VanDerWaalsContact O-NH1 3.09Å; S102-R106 PolarHBondContact OG-NH1 3.44Å; R103-R106 PolarHBondContact O-N 3.38Å; A104-R106 VanDerWaalsContact C-N 3.3Å; A104-R106 PolarHBondContact O-N 3.35Å; R106-Y108 PolarHBondContact O-N 3.16Å; R106-Y109 HydrophobicContact CB-CD2 4.44Å; R106-Y109 HydrophobicContact CB-CE2 4.08Å; R106-Y109 HydrophobicContact CG-CE2 3.81Å; R106-Y109 PolarHBondContact O-N 2.92Å |
| 107 | Y | 95.2 | Very high | 95.7 | Very high | 100 Ų | 100 | 60.8 Ų | 60.8 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -13.2 | 176.1 | -68 | -60.6 | 0 | 0 | 0 | 113.5 | R103 A104 L105 K111 | R103-Y107 HydrophobicContact CG-CE2 3.99Å; R103-Y107 VanDerWaalsContact NH1-CE2 3.34Å; R103-Y107 PolarHBondContact NH2-OH 3.36Å; R103-Y107 VanDerWaalsContact NH2-OH 3.13Å; R103-Y107 WeakPolarHBondContact O-CD2 3.5Å; A104-Y107 WeakPolarHBondContact O-CB 3.26Å; A104-Y107 PolarHBondContact O-N 3.24Å; A104-Y107 VanDerWaalsContact O-N 3.14Å; L105-Y107 VanDerWaalsContact C-N 3.26Å; L105-Y107 PolarHBondContact O-N 2.94Å; Y107-K111 WeakPolarHBondContact O-CG 3.17Å |
| 108 | Y | 95.7 | Very high | 95.6 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -10.6 | 177.4 | -67.1 | -41.7 | 0 | 0 | 0 | 114.2 | L49 W50 L105 R106 K111 N112 I113 M114 | L49-Y108 HydrophobicContact CB-CE2 4.11Å; L49-Y108 HydrophobicContact CD2-CE2 4.29Å; L49-Y108 HydrophobicContact CG-CE2 4.36Å; W50-Y108 HydrophobicContact CB-CE2 4.03Å; W50-Y108 AromaticContact CD1-CZ 3.81Å; L105-Y108 HydrophobicContact CD2-CD2 4.36Å; L105-Y108 WeakPolarHBondContact O-CB 3.49Å; L105-Y108 PolarHBondContact O-N 3.05Å; R106-Y108 PolarHBondContact O-N 3.16Å; Y108-K111 HydrophobicContact CD1-CD 4.44Å; Y108-K111 PolarHBondContact O-N 2.84Å; Y108-N112 PolarHBondContact O-N 3.35Å; Y108-I113 HydrophobicContact CD1-CB 4.29Å; Y108-I113 HydrophobicContact CD1-CD1 3.76Å; Y108-I113 HydrophobicContact CD1-CG2 4.41Å; Y108-I113 HydrophobicContact CE1-CD1 4.09Å; Y108-I113 HydrophobicContact CG-CB 4.34Å; Y108-I113 HydrophobicContact CG-CG2 4.35Å; Y108-I113 PolarHBondContact O-N 3.33Å; Y108-M114 CarbonylContact C-O 3.58Å; Y108-M114 HydrophobicContact CD2-CE 3.64Å; Y108-M114 HydrophobicContact CD2-CG 4.24Å; Y108-M114 HydrophobicContact CD2-SD 3.9Å; Y108-M114 HydrophobicContact CE2-CE 4.19Å; Y108-M114 HydrophobicContact CG-CE 4.43Å; Y108-M114 HydrophobicContact CG-CG 4.33Å |
| 109 | Y | 94.9 | Very high | 95.4 | Very high | 65 Ų | 65 | 68.2 Ų | 68.2 | 26% | 0.255 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -51.8 | -179.8 | -59 | -12.7 | 0 | 0 | 0 | 110.9 | L105 R106 K111 N112 M114 K116 Y124 | L105-Y109 WeakPolarHBondContact O-CE1 3.34Å; R106-Y109 HydrophobicContact CB-CD2 4.44Å; R106-Y109 HydrophobicContact CB-CE2 4.08Å; R106-Y109 HydrophobicContact CG-CE2 3.81Å; R106-Y109 PolarHBondContact O-N 2.92Å; Y109-K111 PolarHBondContact O-N 3.3Å; Y109-N112 PolarHBondContact O-N 2.71Å; Y109-M114 WeakPolarHBondContact CA-O 3.15Å; Y109-M114 WeakPolarHBondContact CD1-O 3.28Å; Y109-K116 HydrophobicContact CE1-CB 4.29Å; Y109-K116 HydrophobicContact CE2-CB 4.32Å; Y109-K116 WeakPolarHBondContact OH-CB 3.49Å; Y109-Y124 HydrophobicContact CE1-CD1 4.48Å; Y109-Y124 WeakPolarHBondContact OH-CE1 3.48Å |
| 110 | D | 91.3 | Very high | 95.3 | Very high | 145 Ų | 145 | 66.7 Ų | 66.7 | 78% | 0.775 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -16.1 | -179.4 | -52.9 | -26.2 | 0 | 0 | 0 | 112.6 | N112 | D110-N112 VanDerWaalsContact C-N 3.31Š|
| 111 | K | 89.7 | Confident | 95.2 | Very high | 125 Ų | 125 | 69.7 Ų | 69.7 | 54% | 0.543 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.9 | 177.7 | -62.8 | -172.8 | 67.7 | 173.5 | 0 | 113 | Y107 Y108 Y109 I113 | Y107-K111 WeakPolarHBondContact O-CG 3.17Å; Y108-K111 HydrophobicContact CD1-CD 4.44Å; Y108-K111 PolarHBondContact O-N 2.84Å; Y109-K111 PolarHBondContact O-N 3.3Å; K111-I113 HydrophobicContact CB-CD1 3.97Å; K111-I113 HydrophobicContact CB-CG1 4.12Å; K111-I113 HydrophobicContact CD-CD1 4.46Å; K111-I113 PolarHBondContact O-N 2.94Å |
| 112 | N | 93.4 | Very high | 95.2 | Very high | 96 Ų | 96 | 73 Ų | 73 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 27.3 | -176 | -57.8 | 94.2 | 0 | 0 | 0 | 113.4 | Y108 Y109 D110 D127 G130 | Y108-N112 PolarHBondContact O-N 3.35Å; Y109-N112 PolarHBondContact O-N 2.71Å; D110-N112 VanDerWaalsContact C-N 3.31Å; N112-D127 VanDerWaalsContact O-CB 3.3Å; N112-D127 WeakPolarHBondContact O-CB 3.49Å; N112-G130 CarbonylContact O-C 3.2Å; N112-G130 WeakPolarHBondContact O-CA 3.46Å; N112-G130 PolarHBondContact O-N 3.4Å |
| 113 | I | 94.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -87.3 | -39.4 | 177.7 | -68.6 | 169.4 | 0 | 0 | 0 | 109.5 | W50 Y108 K111 D127 L131 A134 | W50-I113 HydrophobicContact CB-CG2 3.94Å; W50-I113 HydrophobicContact CG-CG2 4.13Å; Y108-I113 HydrophobicContact CD1-CB 4.29Å; Y108-I113 HydrophobicContact CD1-CD1 3.76Å; Y108-I113 HydrophobicContact CD1-CG2 4.41Å; Y108-I113 HydrophobicContact CE1-CD1 4.09Å; Y108-I113 HydrophobicContact CG-CB 4.34Å; Y108-I113 HydrophobicContact CG-CG2 4.35Å; Y108-I113 PolarHBondContact O-N 3.33Å; K111-I113 HydrophobicContact CB-CD1 3.97Å; K111-I113 HydrophobicContact CB-CG1 4.12Å; K111-I113 HydrophobicContact CD-CD1 4.46Å; K111-I113 PolarHBondContact O-N 2.94Å; I113-D127 PolarHBondContact O-N 3.29Å; I113-L131 HydrophobicContact CG2-CD1 4.18Å; I113-A134 HydrophobicContact CD1-CB 3.75Å; I113-A134 HydrophobicContact CG1-CB 3.9Å |
| 114 | M | 95.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 166.8 | 175.1 | 64.2 | 177.8 | 69.8 | 0 | 0 | 110.8 | W50 L53 L105 Y108 Y109 R125 F126 | W50-M114 HydrophobicContact CB-CE 4.1Å; L53-M114 HydrophobicContact CD1-CE 4.4Å; L105-M114 HydrophobicContact CB-SD 4.36Å; L105-M114 HydrophobicContact CD2-CE 4.04Å; L105-M114 HydrophobicContact CD2-SD 3.57Å; L105-M114 VanDerWaalsContact CD2-SD 3.57Å; Y108-M114 CarbonylContact C-O 3.58Å; Y108-M114 HydrophobicContact CD2-CE 3.64Å; Y108-M114 HydrophobicContact CD2-CG 4.24Å; Y108-M114 HydrophobicContact CD2-SD 3.9Å; Y108-M114 HydrophobicContact CE2-CE 4.19Å; Y108-M114 HydrophobicContact CG-CE 4.43Å; Y108-M114 HydrophobicContact CG-CG 4.33Å; Y109-M114 WeakPolarHBondContact CA-O 3.15Å; Y109-M114 WeakPolarHBondContact CD1-O 3.28Å; M114-R125 CarbonylContact C-O 3.58Å; M114-R125 WeakPolarHBondContact CA-O 3.3Å; M114-R125 VanDerWaalsContact CB-O 3.29Å; M114-R125 WeakPolarHBondContact CB-O 3.47Å; M114-F126 HydrophobicContact CB-CD1 4.24Å; M114-F126 HydrophobicContact CE-CD1 4.19Å; M114-F126 HydrophobicContact CE-CE1 3.5Å; M114-F126 VanDerWaalsContact CE-CE1 3.5Å; M114-F126 HydrophobicContact CE-CZ 3.88Å |
| 115 | S | 96.7 | Very high | 95.4 | Very high | 36 Ų | 36 | 72.8 Ų | 72.8 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 159.4 | 177.6 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | Y124 R125 | S115-Y124 CarbonylContact O-C 3.5Å; S115-Y124 VanDerWaalsContact O-CA 3.32Å; S115-Y124 WeakPolarHBondContact O-CA 3.41Å; S115-R125 PolarHBondContact N-O 3.41Å; S115-R125 PolarHBondContact O-N 3.4Å; S115-R125 PolarHBondContact OG-O 2.87Å |
| 116 | K | 96.3 | Very high | 95.4 | Very high | 96 Ų | 96 | 73 Ų | 73 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 135.8 | 171.8 | -168.4 | 172.7 | 176.7 | -178.4 | 0 | 109.9 | Y109 H118 | Y109-K116 HydrophobicContact CE1-CB 4.29Å; Y109-K116 HydrophobicContact CE2-CB 4.32Å; Y109-K116 WeakPolarHBondContact OH-CB 3.49Å; K116-H118 PolarHBondContact O-CD2 3.36Å; K116-H118 PolarHBondContact O-N 3.08Å |
| 117 | V | 96.8 | Very high | 95.3 | Very high | 23 Ų | 23 | 70.2 Ų | 70.2 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | trans | -84.8 | 113.8 | 167.2 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | E74 K120 A123 R125 | E74-V117 HydrophobicContact CG-CG2 3.95Å; V117-K120 HydrophobicContact CG1-CB 4.31Å; V117-K120 HydrophobicContact CG1-CD 4.16Å; V117-K120 HydrophobicContact CG1-CG 4.37Å; V117-A123 HydrophobicContact CB-CB 3.87Å; V117-A123 HydrophobicContact CG1-CB 4.41Å; V117-A123 HydrophobicContact CG2-CB 4.46Å; V117-A123 PolarHBondContact N-O 3.18Å; V117-R125 HydrophobicContact CG2-CB 4Å | ||
| 118 | H | 95.1 | Very high | 95.1 | Very high | 157 Ų | 157 | 71.2 Ų | 71.2 | 73% | 0.727 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 150.3 | 177.2 | -65.8 | -91.2 | 0 | 0 | 0 | 110.5 | K116 K120 | K116-H118 PolarHBondContact O-CD2 3.36Å; K116-H118 PolarHBondContact O-N 3.08Å; H118-K120 PolarHBondContact O-N 3.33Å |
| 119 | G | 94.6 | Very high | 94.8 | Very high | 92 Ų | 92 | 77.1 Ų | 77.1 | 95% | 0.948 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -12.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 120 | K | 94.3 | Very high | 94.5 | Very high | 82 Ų | 82 | 74.4 Ų | 74.4 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -119.1 | 137 | 175.3 | -67.1 | -173.9 | -177.9 | -173.8 | 0 | 111.6 | E69 E74 V117 H118 A123 | E69-K120 IonicContact OE1-NZ 2.81Å; E69-K120 PolarHBondContact OE1-NZ 2.75Å; E74-K120 IonicContact OE1-NZ 2.73Å; E74-K120 PolarHBondContact OE1-NZ 3.13Å; V117-K120 HydrophobicContact CG1-CB 4.31Å; V117-K120 HydrophobicContact CG1-CD 4.16Å; V117-K120 HydrophobicContact CG1-CG 4.37Å; H118-K120 PolarHBondContact O-N 3.33Å; K120-A123 HydrophobicContact CB-CB 3.52Å; K120-A123 HydrophobicContact CD-CB 4.2Å |
| 121 | R | 96.3 | Very high | 94.4 | Very high | 179 Ų | 179 | 68.3 Ų | 68.3 | 68% | 0.675 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 134.2 | 175.1 | -68.3 | -176.3 | 65.7 | -171.6 | 0.2 | 109.9 | A123 | R121-A123 PolarHBondContact O-N 3.31Å; R121-A123 VanDerWaalsContact O-N 3.13Å |
| 122 | Y | 97.6 | Very high | 94.4 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 28% | 0.275 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 24.6 | 175.2 | -44.5 | -62.4 | 0 | 0 | 0 | 115 | L77 P80 Y98 Y124 | L77-Y122 PolarHBondContact N-O 3.27Å; P80-Y122 HydrophobicContact CB-CD1 4.35Å; P80-Y122 HydrophobicContact CG-CD1 4.35Å; P80-Y122 HydrophobicContact CG-CD2 4.28Å; P80-Y122 HydrophobicContact CG-CE1 4.27Å; P80-Y122 HydrophobicContact CG-CE2 4.22Å; P80-Y122 HydrophobicContact CG-CG 4.35Å; Y98-Y122 HydrophobicContact CD1-CE1 4.17Å; Y98-Y122 AromaticContact CE1-CD1 3.84Å; Y98-Y122 HydrophobicContact CE1-CD1 3.84Å; Y98-Y122 AromaticContact CE1-CE1 3.55Å; Y98-Y122 HydrophobicContact CE1-CE1 3.55Å; Y98-Y122 HydrophobicContact CE2-CD1 4.07Å; Y98-Y122 HydrophobicContact CE2-CE1 4.5Å; Y98-Y122 AromaticContact CZ-CD1 3.49Å; Y98-Y122 VanDerWaalsContact CZ-CD1 3.49Å; Y98-Y122 AromaticContact CZ-CE1 3.74Å; Y98-Y122 WeakPolarHBondContact OH-CD1 3.49Å; Y122-Y124 WeakPolarHBondContact O-CD2 3.39Å |
| 123 | A | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 139.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F75 V117 K120 R121 | F75-A123 WeakPolarHBondContact O-CA 3.42Å; V117-A123 HydrophobicContact CB-CB 3.87Å; V117-A123 HydrophobicContact CG1-CB 4.41Å; V117-A123 HydrophobicContact CG2-CB 4.46Å; V117-A123 PolarHBondContact N-O 3.18Å; K120-A123 HydrophobicContact CB-CB 3.52Å; K120-A123 HydrophobicContact CD-CB 4.2Å; R121-A123 PolarHBondContact O-N 3.31Å; R121-A123 VanDerWaalsContact O-N 3.13Å |
| 124 | Y | 97.7 | Very high | 93.6 | Very high | 6 Ų | 6 | 67.3 Ų | 67.3 | 2% | 0.024 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 159.7 | -175 | -59.8 | -91.7 | 0 | 0 | 0 | 109.4 | E74 F75 L77 Y98 L105 Y109 S115 Y122 | E74-Y124 CarbonylContact C-O 3.58Å; E74-Y124 WeakPolarHBondContact CA-O 3.49Å; F75-Y124 WeakPolarHBondContact CD1-O 3.44Å; F75-Y124 HydrophobicContact CE2-CD2 4.24Å; F75-Y124 HydrophobicContact CZ-CD2 4.38Å; F75-Y124 HydrophobicContact CZ-CG 4.22Å; F75-Y124 PolarHBondContact N-O 2.73Å; F75-Y124 PolarHBondContact O-N 2.77Å; L77-Y124 HydrophobicContact CD1-CD2 4.29Å; L77-Y124 HydrophobicContact CD1-CE2 3.73Å; Y98-Y124 PolarHBondContact OH-OH 3.05Å; L105-Y124 HydrophobicContact CB-CE1 4.13Å; L105-Y124 HydrophobicContact CD1-CD1 4.37Å; L105-Y124 HydrophobicContact CD1-CD2 4.39Å; L105-Y124 HydrophobicContact CD1-CE1 3.81Å; L105-Y124 HydrophobicContact CD1-CE2 3.87Å; Y109-Y124 HydrophobicContact CE1-CD1 4.48Å; Y109-Y124 WeakPolarHBondContact OH-CE1 3.48Å; S115-Y124 CarbonylContact O-C 3.5Å; S115-Y124 VanDerWaalsContact O-CA 3.32Å; S115-Y124 WeakPolarHBondContact O-CA 3.41Å; Y122-Y124 WeakPolarHBondContact O-CD2 3.39Å |
| 125 | R | 97 | Very high | 93 | Very high | 119 Ų | 119 | 70.8 Ų | 70.8 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 125.1 | 179.1 | -175.4 | -179.5 | 67.5 | -173 | 2.2 | 110.2 | H72 G73 E74 M114 S115 V117 | H72-R125 WeakPolarHBondContact O-CG 3.48Å; G73-R125 WeakPolarHBondContact O-CA 3.49Å; E74-R125 HydrophobicContact CB-CB 4.41Å; E74-R125 HydrophobicContact CB-CG 4.32Å; M114-R125 CarbonylContact C-O 3.58Å; M114-R125 WeakPolarHBondContact CA-O 3.3Å; M114-R125 VanDerWaalsContact CB-O 3.29Å; M114-R125 WeakPolarHBondContact CB-O 3.47Å; S115-R125 PolarHBondContact N-O 3.41Å; S115-R125 PolarHBondContact O-N 3.4Å; S115-R125 PolarHBondContact OG-O 2.87Å; V117-R125 HydrophobicContact CG2-CB 4Å |
| 126 | F | 97 | Very high | 92.1 | Very high | 3 Ų | 3 | 74.9 Ų | 74.9 | 1% | 0.013 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 140 | 170.4 | -79.2 | -75.4 | 0 | 0 | 0 | 110.6 | W50 L53 L54 L57 W68 G73 F75 M114 L131 | W50-F126 HydrophobicContact CB-CE1 4.14Å; L53-F126 HydrophobicContact CB-CZ 4.3Å; L54-F126 HydrophobicContact CD1-CE1 4.5Å; L54-F126 HydrophobicContact CD2-CD2 4Å; L54-F126 HydrophobicContact CD2-CE1 4.48Å; L54-F126 HydrophobicContact CD2-CE2 3.67Å; L54-F126 HydrophobicContact CD2-CZ 3.94Å; L54-F126 HydrophobicContact CG-CE1 4.21Å; L54-F126 HydrophobicContact CG-CE2 4.02Å; L54-F126 HydrophobicContact CG-CZ 3.76Å; L57-F126 HydrophobicContact CD1-CE2 3.99Å; W68-F126 AromaticContact CH2-CD2 3.87Å; W68-F126 HydrophobicContact CH2-CD2 3.87Å; W68-F126 HydrophobicContact CH2-CE2 4.2Å; W68-F126 HydrophobicContact CZ3-CD2 4.01Å; G73-F126 PolarHBondContact O-N 3.16Å; F75-F126 AromaticContact CD1-CD2 3.65Å; F75-F126 HydrophobicContact CD1-CD2 3.65Å; F75-F126 AromaticContact CD1-CE2 3.68Å; F75-F126 HydrophobicContact CD1-CE2 3.68Å; F75-F126 AromaticContact CE1-CD2 3.46Å; F75-F126 HydrophobicContact CE1-CD2 3.46Å; F75-F126 VanDerWaalsContact CE1-CD2 3.46Å; F75-F126 AromaticContact CE1-CE2 3.27Å; F75-F126 HydrophobicContact CE1-CE2 3.27Å; F75-F126 HydrophobicContact CE1-CG 4.32Å; F75-F126 HydrophobicContact CE1-CZ 4.01Å; F75-F126 AromaticContact CZ-CE2 3.93Å; F75-F126 HydrophobicContact CZ-CE2 3.93Å; F75-F126 HydrophobicContact CZ-CZ 4.35Å; M114-F126 HydrophobicContact CB-CD1 4.24Å; M114-F126 HydrophobicContact CE-CD1 4.19Å; M114-F126 HydrophobicContact CE-CE1 3.5Å; M114-F126 VanDerWaalsContact CE-CE1 3.5Å; M114-F126 HydrophobicContact CE-CZ 3.88Å; F126-L131 HydrophobicContact CD1-CD1 4.15Å; F126-L131 HydrophobicContact CD1-CD2 4.34Å; F126-L131 HydrophobicContact CE1-CD1 4.34Å |
| 127 | D | 94.9 | Very high | 90.4 | Very high | 57 Ų | 57 | 72.3 Ų | 72.3 | 31% | 0.305 | 37% | 0.374 | S | S | . | . | trans | -101.9 | 108.6 | 169.5 | 177.2 | -9.6 | 0 | 0 | 0 | 107.6 | N112 I113 Q129 G130 L131 | N112-D127 VanDerWaalsContact O-CB 3.3Å; N112-D127 WeakPolarHBondContact O-CB 3.49Å; I113-D127 PolarHBondContact O-N 3.29Å; D127-Q129 PolarHBondContact O-N 3.21Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.33Å; D127-Q129 PolarHBondContact OD1-N 2.95Å; D127-G130 PolarHBondContact O-N 3.35Å; D127-L131 WeakPolarHBondContact O-CB 3.19Å; D127-L131 PolarHBondContact O-N 2.78Å | ||
| 128 | F | 90.1 | Very high | 88.3 | Confident | 122 Ų | 122 | 73.8 Ų | 73.8 | 54% | 0.535 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.5 | -27.9 | -175.7 | -64.9 | -73 | 0 | 0 | 0 | 112.7 | A132 | F128-A132 VanDerWaalsContact O-CB 3.32Å; F128-A132 WeakPolarHBondContact O-CB 3.47Å; F128-A132 PolarHBondContact O-N 3.45Å |
| 129 | Q | 89.6 | Confident | 86.1 | Confident | 139 Ų | 139 | 72.4 Ų | 72.4 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.2 | -52.8 | -179.6 | -172.6 | 66 | 27.4 | 0 | 0 | 110.9 | D127 A132 Q133 | D127-Q129 PolarHBondContact O-N 3.21Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.33Å; D127-Q129 PolarHBondContact OD1-N 2.95Å; Q129-A132 PolarHBondContact O-N 2.83Å; Q129-Q133 PolarHBondContact O-N 2.84Å |
| 130 | G | 89.5 | Confident | 84.1 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 9% | 0.093 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -77.7 | -23.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | N112 D127 Q133 A134 | N112-G130 CarbonylContact O-C 3.2Å; N112-G130 WeakPolarHBondContact O-CA 3.46Å; N112-G130 PolarHBondContact O-N 3.4Å; D127-G130 PolarHBondContact O-N 3.35Å; G130-Q133 WeakPolarHBondContact O-CB 3.37Å; G130-Q133 PolarHBondContact O-N 3.06Å; G130-A134 PolarHBondContact O-N 3.33Å |
| 131 | L | 89.1 | Confident | 81.9 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 9% | 0.089 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 168.6 | -172.2 | 68.4 | 0 | 0 | 0 | 111.5 | W50 L54 I113 F126 D127 Q133 A134 C135 | W50-L131 HydrophobicContact CD2-CD1 4Å; W50-L131 HydrophobicContact CE3-CD1 3.29Å; W50-L131 HydrophobicContact CH2-CD1 4.34Å; W50-L131 HydrophobicContact CZ3-CD1 3.49Å; W50-L131 VanDerWaalsContact CZ3-CD1 3.49Å; W50-L131 HydrophobicContact CZ3-CG 4.42Å; L54-L131 HydrophobicContact CD1-CD1 4.12Å; L54-L131 HydrophobicContact CD1-CD2 3.96Å; I113-L131 HydrophobicContact CG2-CD1 4.18Å; F126-L131 HydrophobicContact CD1-CD1 4.15Å; F126-L131 HydrophobicContact CD1-CD2 4.34Å; F126-L131 HydrophobicContact CE1-CD1 4.34Å; D127-L131 WeakPolarHBondContact O-CB 3.19Å; D127-L131 PolarHBondContact O-N 2.78Å; L131-Q133 PolarHBondContact O-N 3.4Å; L131-A134 PolarHBondContact O-N 3.41Å; L131-A134 VanDerWaalsContact O-N 3.08Å; L131-C135 PolarHBondContact O-N 2.8Å; L131-C135 PolarHBondContact O-SG 3.25Å; L131-C135 VanDerWaalsContact O-SG 3.33Å |
| 132 | A | 88.4 | Confident | 79.7 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | F128 Q129 Q136 | F128-A132 VanDerWaalsContact O-CB 3.32Å; F128-A132 WeakPolarHBondContact O-CB 3.47Å; F128-A132 PolarHBondContact O-N 3.45Å; Q129-A132 PolarHBondContact O-N 2.83Å; A132-Q136 WeakPolarHBondContact O-CG 3.39Å; A132-Q136 PolarHBondContact O-NE2 2.63Å |
| 133 | Q | 87.1 | Confident | 77.4 | Confident | 129 Ų | 129 | 71.8 Ų | 71.8 | 60% | 0.603 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.6 | -39.5 | 173 | -62.7 | -62.4 | -53 | 0 | 0 | 112.2 | Q129 G130 L131 C135 Q136 | Q129-Q133 PolarHBondContact O-N 2.84Å; G130-Q133 WeakPolarHBondContact O-CB 3.37Å; G130-Q133 PolarHBondContact O-N 3.06Å; L131-Q133 PolarHBondContact O-N 3.4Å; Q133-C135 VanDerWaalsContact C-N 3.27Å; Q133-C135 PolarHBondContact O-N 3.02Å; Q133-Q136 WeakPolarHBondContact O-CB 3.46Å; Q133-Q136 PolarHBondContact O-N 3.48Å |
| 134 | A | 84.6 | Confident | 75.2 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 23% | 0.231 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.1 | -24.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W50 I113 G130 L131 Q136 | W50-A134 HydrophobicContact CZ2-CB 4Å; I113-A134 HydrophobicContact CD1-CB 3.75Å; I113-A134 HydrophobicContact CG1-CB 3.9Å; G130-A134 PolarHBondContact O-N 3.33Å; L131-A134 PolarHBondContact O-N 3.41Å; L131-A134 VanDerWaalsContact O-N 3.08Å; A134-Q136 VanDerWaalsContact C-N 3.29Å |
| 135 | C | 84 | Confident | 73 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.5 | 170.6 | -68.8 | 0 | 0 | 0 | 0 | 113 | W50 L131 Q133 | W50-C135 WeakPolarHBondContact CH2-SG 3.35Å; L131-C135 PolarHBondContact O-N 2.8Å; L131-C135 PolarHBondContact O-SG 3.25Å; L131-C135 VanDerWaalsContact O-SG 3.33Å; Q133-C135 VanDerWaalsContact C-N 3.27Å; Q133-C135 PolarHBondContact O-N 3.02Å |
| 136 | Q | 76.8 | Confident | 70.7 | Confident | 121 Ų | 121 | 74 Ų | 74 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -72.1 | 141 | 177.4 | -61.1 | -54.4 | -57.1 | 0 | 0 | 110.1 | A132 Q133 A134 | A132-Q136 WeakPolarHBondContact O-CG 3.39Å; A132-Q136 PolarHBondContact O-NE2 2.63Å; Q133-Q136 WeakPolarHBondContact O-CB 3.46Å; Q133-Q136 PolarHBondContact O-N 3.48Å; A134-Q136 VanDerWaalsContact C-N 3.29Å |
| 137 | P | 60.5 | Low | 68.6 | Low | 43 Ų | 43 | 76.7 Ų | 76.7 | 28% | 0.279 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 146.1 | 173.5 | -0.9 | 15.3 | 0 | 0 | 0 | 109.2 | P38 H141 | P38-P137 HydrophobicContact CB-CB 3.61Å; P38-P137 HydrophobicContact CB-CG 4.47Å; P38-P137 HydrophobicContact CG-CB 3.66Å; P137-H141 WeakPolarHBondContact CB-CE1 3.29Å; P137-H141 WeakPolarHBondContact CG-CE1 3.35Å; P137-H141 WeakPolarHBondContact CG-NE2 3.32Å; P137-H141 PolarHBondContact O-CE1 2.85Å |
| 138 | P | 52.7 | Low | 66.6 | Low | 54 Ų | 54 | 77 Ų | 77 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 145.1 | 173.2 | -21.5 | 29.7 | 0 | 0 | 0 | 109.8 | A140 H141 | P138-A140 PolarHBondContact O-N 2.69Å; P138-H141 PolarHBondContact O-CE1 3.29Å; P138-H141 PolarHBondContact O-ND1 3.36Å |
| 139 | P | 49.3 | Very low | 64.7 | Low | 127 Ų | 127 | 74.2 Ų | 74.2 | 83% | 0.825 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 62.8 | 178.5 | 31.3 | -35.3 | 0 | 0 | 0 | 111 | ||
| 140 | A | 51.5 | Low | 62.8 | Low | 99 Ų | 99 | 70.4 Ų | 70.4 | 82% | 0.818 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 2.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P138 | P138-A140 PolarHBondContact O-N 2.69Š|
| 141 | H | 48.9 | Very low | 61 | Low | 63 Ų | 63 | 73 Ų | 73 | 29% | 0.292 | 49% | 0.493 | S | S | . | . | trans | -131.4 | 26.4 | -172.3 | 76.6 | -68.8 | 0 | 0 | 0 | 113.4 | P137 P138 H143 A144 A145 | P137-H141 WeakPolarHBondContact CB-CE1 3.29Å; P137-H141 WeakPolarHBondContact CG-CE1 3.35Å; P137-H141 WeakPolarHBondContact CG-NE2 3.32Å; P137-H141 PolarHBondContact O-CE1 2.85Å; P138-H141 PolarHBondContact O-CE1 3.29Å; P138-H141 PolarHBondContact O-ND1 3.36Å; H141-H143 PolarHBondContact O-N 3.35Å; H141-A144 HydrophobicContact CB-CB 4.08Å; H141-A144 PolarHBondContact O-N 3.43Å; H141-A145 PolarHBondContact O-N 3.1Å | ||
| 142 | A | 49.4 | Very low | 59.2 | Low | 76 Ų | 76 | 75.2 Ų | 75.2 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -50.3 | -24.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A146 | A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 2.89Å |
| 143 | H | 49.8 | Very low | 57.3 | Low | 172 Ų | 172 | 76.2 Ų | 76.2 | 80% | 0.796 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.4 | -28.8 | 171.4 | -80.6 | -76.7 | 0 | 0 | 0 | 116 | H141 A147 | H141-H143 PolarHBondContact O-N 3.35Å; H143-A147 WeakPolarHBondContact O-CB 3.49Å; H143-A147 PolarHBondContact O-N 2.97Å; H143-A147 VanDerWaalsContact O-N 3.09Å |
| 144 | A | 52.2 | Low | 55.3 | Low | 60 Ų | 60 | 73.7 Ų | 73.7 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -83.8 | -38.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H141 A147 A148 | H141-A144 HydrophobicContact CB-CB 4.08Å; H141-A144 PolarHBondContact O-N 3.43Å; A144-A147 PolarHBondContact O-N 3.35Å; A144-A148 PolarHBondContact O-N 2.8Å; A144-A148 VanDerWaalsContact O-N 3.1Å |
| 145 | A | 51.1 | Low | 53.5 | Low | 59 Ų | 59 | 76.4 Ų | 76.4 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.3 | -36.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H141 A147 A148 A149 | H141-A145 PolarHBondContact O-N 3.1Å; A145-A147 VanDerWaalsContact C-N 3.34Å; A145-A148 PolarHBondContact O-N 3.03Å; A145-A149 WeakPolarHBondContact O-CB 3.21Å; A145-A149 PolarHBondContact O-N 3.36Å |
| 146 | A | 49.3 | Very low | 51.9 | Low | 54 Ų | 54 | 81 Ų | 81 | 45% | 0.446 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.2 | -34.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A142 A149 A150 | A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 2.89Å; A146-A149 PolarHBondContact O-N 3.46Å; A146-A150 WeakPolarHBondContact O-CB 3.34Å; A146-A150 PolarHBondContact O-N 3.33Å |
| 147 | A | 51.3 | Low | 50.2 | Low | 59 Ų | 59 | 81.2 Ų | 81.2 | 49% | 0.488 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.7 | -37.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H143 A144 A145 A150 A151 | H143-A147 WeakPolarHBondContact O-CB 3.49Å; H143-A147 PolarHBondContact O-N 2.97Å; H143-A147 VanDerWaalsContact O-N 3.09Å; A144-A147 PolarHBondContact O-N 3.35Å; A145-A147 VanDerWaalsContact C-N 3.34Å; A147-A150 PolarHBondContact O-N 3.46Å; A147-A151 WeakPolarHBondContact O-CB 3.12Å; A147-A151 PolarHBondContact O-N 3.35Å |
| 148 | A | 52.8 | Low | 49.7 | Very low | 65 Ų | 65 | 83.3 Ų | 83.3 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.3 | -38.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A144 A145 A151 A152 | A144-A148 PolarHBondContact O-N 2.8Å; A144-A148 VanDerWaalsContact O-N 3.1Å; A145-A148 PolarHBondContact O-N 3.03Å; A148-A151 PolarHBondContact O-N 2.98Å; A148-A152 PolarHBondContact O-N 3.37Å |
| 149 | A | 51.7 | Low | 49.1 | Very low | 62 Ų | 62 | 83.5 Ų | 83.5 | 51% | 0.512 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69 | -36.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A145 A146 A152 A153 | A145-A149 WeakPolarHBondContact O-CB 3.21Å; A145-A149 PolarHBondContact O-N 3.36Å; A146-A149 PolarHBondContact O-N 3.46Å; A149-A152 PolarHBondContact O-N 3.38Å; A149-A153 PolarHBondContact O-N 3.41Å |
| 150 | A | 49.9 | Very low | 49.1 | Very low | 60 Ų | 60 | 85.3 Ų | 85.3 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69 | -35.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A146 A147 A153 A154 | A146-A150 WeakPolarHBondContact O-CB 3.34Å; A146-A150 PolarHBondContact O-N 3.33Å; A147-A150 PolarHBondContact O-N 3.46Å; A150-A153 PolarHBondContact O-N 2.79Å; A150-A154 PolarHBondContact O-N 2.99Å |
| 151 | A | 50.8 | Low | 48.5 | Very low | 63 Ų | 63 | 90.5 Ų | 90.5 | 52% | 0.521 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.8 | -34.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A147 A148 A154 A155 | A147-A151 WeakPolarHBondContact O-CB 3.12Å; A147-A151 PolarHBondContact O-N 3.35Å; A148-A151 PolarHBondContact O-N 2.98Å; A151-A154 PolarHBondContact O-N 3.33Å; A151-A155 PolarHBondContact O-N 3.35Å |
| 152 | A | 50.8 | Low | 47.9 | Very low | 64 Ų | 64 | 96.8 Ų | 96.8 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.2 | -34.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A148 A149 A155 | A148-A152 PolarHBondContact O-N 3.37Å; A149-A152 PolarHBondContact O-N 3.38Å; A152-A155 PolarHBondContact O-N 3.1Å |
| 153 | A | 48.4 | Very low | 47.6 | Very low | 67 Ų | 67 | 101.2 Ų | 101.2 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.1 | -33.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A149 A150 A155 Q156 | A149-A153 PolarHBondContact O-N 3.41Å; A150-A153 PolarHBondContact O-N 2.79Å; A153-A155 VanDerWaalsContact C-N 3.27Å; A153-A155 PolarHBondContact O-N 2.89Å; A153-Q156 PolarHBondContact O-N 2.83Å |
| 154 | A | 45.4 | Very low | 47.1 | Very low | 76 Ų | 76 | 98.5 Ų | 98.5 | 63% | 0.628 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.2 | -16.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A150 A151 Q156 | A150-A154 PolarHBondContact O-N 2.99Å; A151-A154 PolarHBondContact O-N 3.33Å; A154-Q156 VanDerWaalsContact C-N 3.35Å |
| 155 | A | 48 | Very low | 47 | Very low | 84 Ų | 84 | 100.9 Ų | 100.9 | 69% | 0.694 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -6.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A151 A152 A153 | A151-A155 PolarHBondContact O-N 3.35Å; A152-A155 PolarHBondContact O-N 3.1Å; A153-A155 VanDerWaalsContact C-N 3.27Å; A153-A155 PolarHBondContact O-N 2.89Å |
| 156 | Q | 49.2 | Very low | 46.6 | Very low | 172 Ų | 172 | 101.4 Ų | 101.4 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -93.3 | -9.8 | -179.8 | -72.3 | -86.7 | -62.2 | 0 | 0 | 114 | A153 A154 | A153-Q156 PolarHBondContact O-N 2.83Å; A154-Q156 VanDerWaalsContact C-N 3.35Å |
| 157 | D | 42.4 | Very low | 46.5 | Very low | 127 Ų | 127 | 107.5 Ų | 107.5 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | trans | -112.4 | 73.2 | -178.2 | -155.1 | -104.5 | 0 | 0 | 0 | 112.2 | ||||
| 158 | G | 49.1 | Very low | 46.2 | Very low | 86 Ų | 86 | 108.7 Ų | 108.7 | 89% | 0.887 | 70% | 0.703 | S | S | * | * | trans | -88.8 | 37.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 159 | A | 40.4 | Very low | 46 | Very low | 58 Ų | 58 | 111.4 Ų | 111.4 | 48% | 0.479 | 72% | 0.715 | S | S | . | * | trans | -131.2 | 81.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y161 | A159-Y161 PolarHBondContact O-N 3.09Å; A159-Y161 VanDerWaalsContact O-N 3.1Å | ||
| 160 | L | 49.3 | Very low | 45.7 | Very low | 166 Ų | 166 | 115.7 Ų | 115.7 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | trans | 0.2 | 97.3 | 137.4 | 179 | 76.6 | 0 | 0 | 0 | 114.6 | ||||
| 161 | Y | 38.8 | Very low | 45.3 | Very low | 207 Ų | 207 | 117.9 Ų | 117.9 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | 176.1 | 124.4 | 122.3 | 51.6 | -108.7 | 0 | 0 | 0 | 113.7 | A159 | A159-Y161 PolarHBondContact O-N 3.09Å; A159-Y161 VanDerWaalsContact O-N 3.1Å | |||
| 162 | K | 36.9 | Very low | 45.1 | Very low | 195 Ų | 195 | 124.5 Ų | 124.5 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | 62.7 | 97.7 | 132.4 | -151.5 | 165 | -179.2 | 179.1 | 0 | 119.1 | ||||
| 163 | L | 43.1 | Very low | 44.5 | Very low | 169 Ų | 169 | 127.6 Ų | 127.6 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -59.1 | 144 | 152.1 | -73.8 | 117.7 | 0 | 0 | 0 | 110.7 | ||||
| 164 | P | 38.7 | Very low | 44.4 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -115.4 | 132.6 | 135.9 | 26.8 | -13.3 | 0 | 0 | 0 | 110.4 | G166 | P164-G166 PolarHBondContact O-N 2.98Š| ||
| 165 | A | 49.5 | Very low | 44.6 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -51.8 | 128.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 166 | G | 42.9 | Very low | 44.3 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -161.7 | 69.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P164 A168 | P164-G166 PolarHBondContact O-N 2.98Å; G166-A168 PolarHBondContact O-N 3.11Å; G166-A168 VanDerWaalsContact O-N 3.11Å | ||
| 167 | L | 46.6 | Very low | 43.9 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | -63.2 | 106.3 | 167.5 | -74.4 | 167.1 | 0 | 0 | 0 | 108.3 | ||||
| 168 | A | 46.5 | Very low | 44.4 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | trans | -98.7 | 113.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | G166 L170 | G166-A168 PolarHBondContact O-N 3.11Å; G166-A168 VanDerWaalsContact O-N 3.11Å; A168-L170 PolarHBondContact O-N 3.39Å | ||
| 169 | P | 47.2 | Very low | 44.1 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 116.3 | 171.1 | 24.8 | -18.2 | 0 | 0 | 0 | 108.3 | ||
| 170 | L | 45.3 | Very low | 44.4 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 137.2 | 167.3 | -70.3 | -175.5 | 0 | 0 | 0 | 110.5 | A168 | A168-L170 PolarHBondContact O-N 3.39Š|
| 171 | P | 43.1 | Very low | 43.8 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 69% | 0.688 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 125.3 | -171.2 | 34.2 | -31.6 | 0 | 0 | 0 | 110.7 | ||
| 172 | F | 45 | Very low | 43.8 | Very low | 203 Ų | 203 | 139 Ų | 139 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -124.2 | 120.1 | 153.1 | -75.3 | -71.4 | 0 | 0 | 0 | 109.3 | ||||
| 173 | P | 39.1 | Very low | 43.8 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -81 | 137.3 | 177.3 | 32.5 | -30 | 0 | 0 | 0 | 109.7 | ||||
| 174 | G | 46.7 | Very low | 43.6 | Very low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 118.2 | 78.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 175 | L | 48.8 | Very low | 43.6 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | -165.5 | 116.3 | 121 | -105.1 | 150.6 | 0 | 0 | 0 | 109 | |||||
| 176 | S | 42 | Very low | 43.2 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -73.8 | 154.1 | -177.4 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 177 | K | 41.4 | Very low | 43.1 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | 71 | 108.4 | 157.4 | -76.9 | 169.6 | 167.6 | 165.3 | 0 | 116.2 | ||||
| 178 | L | 52.1 | Low | 43.1 | Very low | 173 Ų | 173 | 129 Ų | 129 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | -170.3 | 119.1 | 93.8 | -91.9 | 156.5 | 0 | 0 | 0 | 109.9 | |||||
| 179 | N | 42.9 | Very low | 43.2 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -84.2 | 127.4 | 168.8 | -165.4 | 32.2 | 0 | 0 | 0 | 107 | ||||
| 180 | L | 47.6 | Very low | 42.9 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | trans | -151.7 | 90.7 | 157.3 | -147.6 | 71.6 | 0 | 0 | 0 | 112.2 | ||||
| 181 | M | 36.8 | Very low | 42.6 | Very low | 161 Ų | 161 | 126.5 Ų | 126.5 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | 26.5 | 120 | 129.5 | -156.7 | 72.7 | -173.7 | 0 | 0 | 118 | |||||
| 182 | A | 38.3 | Very low | 42.6 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | -51.4 | 141.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 183 | A | 36 | Very low | 42.7 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -150.8 | 122.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 184 | S | 39.8 | Very low | 43.7 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -71.9 | 166.8 | 172.6 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 185 | A | 37.1 | Very low | 43.5 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | 86 | 137.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 186 | G | 41 | Very low | 43.3 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -97.5 | -179 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 187 | V | 41.7 | Very low | 43.2 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 92% | 0.915 | 81% | 0.808 | S | S | * | * | trans | -171.1 | 146.8 | 151.4 | 113.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 188 | A | 45.8 | Very low | 43.6 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 169.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 189 | P | 48.6 | Very low | 43.2 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 126.1 | 162.3 | 33.9 | -24.7 | 0 | 0 | 0 | 112.5 | ||
| 190 | A | 40.9 | Very low | 43.9 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 153.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 191 | G | 40.7 | Very low | 43.4 | Very low | 72 Ų | 72 | 122.4 Ų | 122.4 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -73.9 | 177.7 | -158.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 192 | F | 43.2 | Very low | 43.3 | Very low | 214 Ų | 214 | 118.7 Ų | 118.7 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -162.5 | 124.6 | 134.6 | -131.4 | -96.8 | 0 | 0 | 0 | 109.6 | ||||
| 193 | S | 45.9 | Very low | 43.1 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -88.4 | 140.6 | 173 | -62.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 194 | Y | 60 | Low | 42.9 | Very low | 167 Ų | 167 | 120.9 Ų | 120.9 | 66% | 0.655 | 80% | 0.803 | S | S | * | * | trans | -159 | 106.3 | 154.5 | 178.2 | -94.2 | 0 | 0 | 0 | 107.8 | ||||
| 195 | W | 42.6 | Very low | 42.5 | Very low | 234 Ų | 234 | 120 Ų | 120 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -162 | 136.1 | 133.9 | -57.1 | 102.5 | 0 | 0 | 0 | 108.1 | ||||
| 196 | P | 45.4 | Very low | 42.2 | Very low | 104 Ų | 104 | 120 Ų | 120 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | trans | -88.6 | 141.8 | -173.8 | 34.3 | -31.2 | 0 | 0 | 0 | 111.7 | ||||
| 197 | G | 39.9 | Very low | 41.9 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -82.5 | 170.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 198 | P | 48.2 | Very low | 41.7 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | -123.8 | 138.4 | 128.2 | 5.4 | 15.2 | 0 | 0 | 0 | 111.3 | |||||
| 199 | G | 44.5 | Very low | 41.3 | Very low | 76 Ų | 76 | 120.8 Ų | 120.8 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -85.1 | -164.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 200 | P | 58.2 | Low | 40.8 | Very low | 125 Ų | 125 | 118.7 Ų | 118.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -108.2 | 156.8 | -156.2 | 39.5 | -32 | 0 | 0 | 0 | 114.1 | ||||
| 201 | T | 36.6 | Very low | 40.7 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -160.6 | 152.4 | 158.3 | 49.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 202 | A | 34.8 | Very low | 40.6 | Very low | 83 Ų | 83 | 128.7 Ų | 128.7 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | cis | -168.3 | 147.5 | -18.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 203 | T | 33.8 | Very low | 41 | Very low | 141 Ų | 141 | 124.2 Ų | 124.2 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | 37.1 | 132.2 | 148 | 4.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 204 | A | 32.3 | Very low | 40.9 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 99.5 | 125.4 | 131 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 205 | A | 30.4 | Very low | 40.4 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | 80.1 | 120.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 206 | A | 31.5 | Very low | 40.2 | Very low | 103 Ų | 103 | 116.3 Ų | 116.3 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | 54.4 | 121.8 | 137.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 207 | A | 34.8 | Very low | 40.1 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | 172.9 | 143.7 | 112 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 208 | T | 38.5 | Very low | 40.9 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -53.5 | 143.6 | 172.3 | -43.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 209 | A | 36.7 | Very low | 41.3 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | 164.8 | 106.3 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 210 | A | 38.7 | Very low | 42.1 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | 52.7 | 111.3 | 84.7 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 211 | L | 37 | Very low | 41.8 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | 146.8 | 102.5 | 127.8 | -76.2 | 157.4 | 0 | 0 | 0 | 111.9 | |||||
| 212 | Y | 38.6 | Very low | 42.5 | Very low | 218 Ų | 218 | 122.8 Ų | 122.8 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -63.7 | 147.8 | 154.4 | -94 | -92 | 0 | 0 | 0 | 109.8 | ||||
| 213 | P | 51.8 | Low | 43.7 | Very low | 120 Ų | 120 | 124 Ų | 124 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -125.8 | 125 | 131.9 | 1.7 | 19.7 | 0 | 0 | 0 | 112.1 | ||||
| 214 | S | 45.3 | Very low | 44.4 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -73 | 146.7 | 161.4 | -67 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 215 | P | 48 | Very low | 45 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -112.9 | 116.8 | 155.5 | 12.6 | 7.6 | 0 | 0 | 0 | 111.2 | ||||
| 216 | S | 39.5 | Very low | 45.9 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 134.5 | 171 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 217 | L | 42.8 | Very low | 46.6 | Very low | 178 Ų | 178 | 129 Ų | 129 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 118.6 | 167.3 | -79.3 | 163.5 | 0 | 0 | 0 | 110 | ||
| 218 | Q | 55.9 | Low | 46.9 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 130.7 | 172.1 | -171.8 | 177.1 | -37 | 0 | 0 | 108.8 | ||
| 219 | P | 58 | Low | 47.1 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 154.5 | 175.3 | 31.4 | -31.1 | 0 | 0 | 0 | 112.6 | ||
| 220 | P | 61.4 | Low | 47.4 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 156 | -172.7 | 32.6 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 221 | P | 51.7 | Low | 48 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 130.2 | 177.9 | 34.3 | -29.7 | 0 | 0 | 0 | 111 | ||
| 222 | G | 50.4 | Low | 48.5 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -116.9 | 133.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 223 | P | 59.8 | Low | 48.9 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | trans | -86.2 | 170.7 | 176 | 34.6 | -29.3 | 0 | 0 | 0 | 110.7 | ||||
| 224 | F | 49.8 | Very low | 48.5 | Very low | 209 Ų | 209 | 123.1 Ų | 123.1 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | 106.3 | 109.6 | 170 | -63.2 | -75.6 | 0 | 0 | 0 | 116.9 | ||||
| 225 | G | 44.2 | Very low | 48.6 | Very low | 77 Ų | 77 | 121.2 Ų | 121.2 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | 115.2 | 71.8 | 127.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | V227 | G225-V227 PolarHBondContact O-N 3.42Š| |||
| 226 | A | 49.3 | Very low | 49 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | -68.4 | 120.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 227 | V | 46.4 | Very low | 49.4 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -154.7 | 142.1 | 153.7 | 71 | 0 | 0 | 0 | 0 | 111.4 | G225 | G225-V227 PolarHBondContact O-N 3.42Š| ||
| 228 | A | 40.5 | Very low | 50.2 | Low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | trans | 81.9 | 82.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 229 | A | 43.1 | Very low | 49.9 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -81.9 | 108.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 230 | A | 43.6 | Very low | 49.4 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -104.7 | 102 | 165 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 231 | S | 51.3 | Low | 48.8 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | trans | -90.1 | 142.4 | 172.4 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 232 | H | 47.6 | Very low | 48.6 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 71% | 0.708 | 83% | 0.828 | S | S | * | * | trans | -61.4 | 161.8 | -177.2 | 72.1 | -21.6 | 0 | 0 | 0 | 116.5 | ||||
| 233 | L | 47.7 | Very low | 48.5 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | 61.5 | 122.1 | 136.8 | -77.4 | 158.5 | 0 | 0 | 0 | 120.8 | ||||
| 234 | G | 42.7 | Very low | 47.7 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | 176.4 | 88.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 235 | G | 48 | Very low | 47.6 | Very low | 64 Ų | 64 | 132.8 Ų | 132.8 | 66% | 0.66 | 84% | 0.837 | S | S | * | * | trans | -69 | 147.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 236 | H | 56 | Low | 47.9 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.875 | 84% | 0.841 | S | S | * | * | trans | -149.1 | 109.6 | 160.6 | -120.9 | 72.3 | 0 | 0 | 0 | 108.8 | ||||
| 237 | Y | 48.1 | Very low | 47.7 | Very low | 225 Ų | 225 | 139.2 Ų | 139.2 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | trans | -110.5 | 111.5 | 160.3 | -64.6 | -93.8 | 0 | 0 | 0 | 105.8 | ||||
| 238 | H | 58.1 | Low | 47.9 | Very low | 254 Ų | 254 | 139.1 Ų | 139.1 | 100% | 1.176 | 83% | 0.832 | S | S | * | * | trans | -165.6 | 0 | 143.6 | -134.2 | -75.6 | 0 | 0 | 0 | 110.6 |
Retrieved 238 of 238 residues in 678.6 ms
(Link to these results)