| 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 | 39.3 | Very low | 41.2 | Very low | 245 Ų | 245 | 162 Ų | 162 | 100% | 1.207 | 84% | 0.841 | S | S | * | * | 0 | 103.8 | 0 | -66.5 | 167.1 | 179.6 | 0 | 0 | 104.5 | |||||
| 2 | E | 36.7 | Very low | 41.2 | Very low | 184 Ų | 184 | 154.7 Ų | 154.7 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | cis | -151.2 | 153 | 33.8 | -76.4 | -125.9 | 96.8 | 0 | 0 | 110.2 | ||||
| 3 | R | 41 | Very low | 41.9 | Very low | 235 Ų | 235 | 151.2 Ų | 151.2 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | trans | -117 | 146.3 | 152.2 | -80.9 | -174.5 | 178.3 | -162.7 | 0.4 | 104.5 | ||||
| 4 | P | 47.5 | Very low | 42.5 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | -147.6 | -168.5 | 64.7 | 35.7 | -11.5 | 0 | 0 | 0 | 111.5 | |||||
| 5 | S | 40.1 | Very low | 42.9 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | cis | -159 | 153.9 | 23.5 | -163.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 6 | L | 43 | Very low | 43.5 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 80% | 0.801 | 83% | 0.833 | S | S | * | * | trans | -80.8 | 132.7 | 165.9 | -80.8 | 123.8 | 0 | 0 | 0 | 110.6 | ||||
| 7 | H | 43.7 | Very low | 43.7 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | trans | -155.8 | 94.4 | 147.1 | -99.4 | -57 | 0 | 0 | 0 | 105 | ||||
| 8 | A | 39.1 | Very low | 44.1 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 57% | 0.57 | 82% | 0.824 | S | S | * | * | 61.8 | 105.5 | 64.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 9 | L | 40.2 | Very low | 44.4 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | 77.4 | 113.3 | 162.5 | -69.5 | 91.8 | 0 | 0 | 0 | 119.1 | ||||
| 10 | L | 37.4 | Very low | 44.6 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | -167.8 | 107.4 | 118.3 | -98.2 | 141.8 | 0 | 0 | 0 | 110.8 | |||||
| 11 | L | 44.7 | Very low | 44.7 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | 32.2 | 121 | 137.4 | -72.2 | 134.5 | 0 | 0 | 0 | 119.6 | ||||
| 12 | G | 41.3 | Very low | 45 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -178.5 | 85.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A14 | G12-A14 PolarHBondContact O-N 3.31Š| ||
| 13 | A | 50.4 | Low | 45.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -63.7 | 99.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G15 | A13-G15 PolarHBondContact O-N 3.16Š| ||
| 14 | A | 50 | Low | 45.6 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -82 | 90.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | G12 L16 | G12-A14 PolarHBondContact O-N 3.31Å; A14-L16 PolarHBondContact O-N 3.3Å | ||
| 15 | G | 48.9 | Very low | 45.5 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -58.8 | 129.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A13 L17 | A13-G15 PolarHBondContact O-N 3.16Å; G15-L17 VanDerWaalsContact C-N 3.29Å; G15-L17 PolarHBondContact O-N 3.11Å | ||
| 16 | L | 51.9 | Low | 45.7 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -66.1 | 85.6 | 170.8 | -168.8 | 77.7 | 0 | 0 | 0 | 108.9 | A14 L18 | A14-L16 PolarHBondContact O-N 3.3Å; L16-L18 HydrophobicContact CD2-CD1 3.89Å; L16-L18 HydrophobicContact CG-CD1 4.22Å; L16-L18 PolarHBondContact O-N 3.45Å; L16-L18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | L | 48.1 | Very low | 45.8 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -79.2 | 87.5 | 172.6 | -161 | 76.8 | 0 | 0 | 0 | 108.3 | G15 L19 | G15-L17 VanDerWaalsContact C-N 3.29Å; G15-L17 PolarHBondContact O-N 3.11Å; L17-L19 PolarHBondContact O-N 3.49Å | ||
| 18 | L | 51 | Low | 46.3 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | trans | -59.5 | 104.9 | 161.6 | -96.1 | 112.4 | 0 | 0 | 0 | 107.8 | L16 L20 | L16-L18 HydrophobicContact CD2-CD1 3.89Å; L16-L18 HydrophobicContact CG-CD1 4.22Å; L16-L18 PolarHBondContact O-N 3.45Å; L16-L18 VanDerWaalsContact O-N 3.1Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 3.15Å | ||
| 19 | L | 48.8 | Very low | 46.9 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -62.7 | 92.3 | 166.2 | -84.3 | 151.3 | 0 | 0 | 0 | 108.4 | L17 L21 | L17-L19 PolarHBondContact O-N 3.49Å; L19-L21 PolarHBondContact O-N 2.68Å | ||
| 20 | L | 49.3 | Very low | 47.9 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -65.3 | 88.5 | 158.8 | -71 | 166.9 | 0 | 0 | 0 | 107.1 | L18 P22 | L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 3.15Å; L20-P22 WeakPolarHBondContact O-CD 3.45Å | ||
| 21 | L | 46.6 | Very low | 49.6 | Very low | 144 Ų | 144 | 121.6 Ų | 121.6 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -58.3 | 118.6 | 162.8 | -79.9 | 156.3 | 0 | 0 | 0 | 106.9 | L19 L23 | L19-L21 PolarHBondContact O-N 2.68Å; L21-L23 PolarHBondContact O-N 3.2Å | ||
| 22 | P | 44.9 | Very low | 51.3 | Low | 105 Ų | 105 | 117 Ų | 117 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -64.5 | 115.3 | 171 | 26.8 | -29.6 | 0 | 0 | 0 | 106.4 | L20 S24 | L20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-S24 PolarHBondContact O-N 3.23Å | ||
| 23 | L | 47 | Very low | 53.5 | Low | 159 Ų | 159 | 116.4 Ų | 116.4 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -63.1 | 91.9 | 156.6 | -91.5 | 81 | 0 | 0 | 0 | 105.5 | L21 S25 | L21-L23 PolarHBondContact O-N 3.2Å; L23-S25 PolarHBondContact O-N 2.99Å; L23-S25 PolarHBondContact O-OG 3.23Å | ||
| 24 | S | 44.2 | Very low | 55.4 | Low | 105 Ų | 105 | 117 Ų | 117 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -58 | 92.9 | 165.2 | -62.1 | 0 | 0 | 0 | 0 | 106.6 | P22 S26 | P22-S24 PolarHBondContact O-N 3.23Å; S24-S26 VanDerWaalsContact C-N 3.27Å; S24-S26 PolarHBondContact O-N 3.23Å | ||
| 25 | S | 45.1 | Very low | 57.3 | Low | 105 Ų | 105 | 115.4 Ų | 115.4 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -67.6 | 95.5 | 168.7 | -54.8 | 0 | 0 | 0 | 0 | 104.5 | L23 S27 | L23-S25 PolarHBondContact O-N 2.99Å; L23-S25 PolarHBondContact O-OG 3.23Å; S25-S27 PolarHBondContact O-N 3Å | ||
| 26 | S | 44.3 | Very low | 59.4 | Low | 115 Ų | 115 | 118.5 Ų | 118.5 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -67.8 | 78.4 | 167.8 | 44.9 | 0 | 0 | 0 | 0 | 107.5 | S24 S28 | S24-S26 VanDerWaalsContact C-N 3.27Å; S24-S26 PolarHBondContact O-N 3.23Å; S26-S28 VanDerWaalsContact C-N 3.26Å; S26-S28 PolarHBondContact O-N 3.07Å | ||
| 27 | S | 45.3 | Very low | 61.2 | Low | 104 Ų | 104 | 115.5 Ų | 115.5 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -62.4 | 98.7 | 159 | 58 | 0 | 0 | 0 | 0 | 105.6 | S25 S29 | S25-S27 PolarHBondContact O-N 3Å; S27-S29 PolarHBondContact O-N 3.31Å | ||
| 28 | S | 54.1 | Low | 63.3 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | trans | -61.1 | 93.2 | 168.4 | 56.3 | 0 | 0 | 0 | 0 | 107 | S26 | S26-S28 VanDerWaalsContact C-N 3.26Å; S26-S28 PolarHBondContact O-N 3.07Å | ||
| 29 | S | 51.8 | Low | 65.2 | Low | 78 Ų | 78 | 110.6 Ų | 110.6 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | trans | -58 | 137.1 | 167.2 | 47.8 | 0 | 0 | 0 | 0 | 107.7 | S27 T31 | S27-S29 PolarHBondContact O-N 3.31Å; S29-T31 WeakPolarHBondContact CB-OG1 3.43Å; S29-T31 PolarHBondContact O-N 3.2Å; S29-T31 PolarHBondContact OG-OG1 3.06Å | ||
| 30 | D | 59.7 | Low | 67.2 | Low | 146 Ų | 146 | 104.6 Ų | 104.6 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -66.3 | 39.5 | 171.9 | -79.4 | -56.9 | 0 | 0 | 0 | 111.7 | R78 | D30-R78 IonicContact OD1-NH2 3.8Š|
| 31 | T | 73.9 | Confident | 69 | Low | 104 Ų | 104 | 101.3 Ų | 101.3 | 64% | 0.638 | 66% | 0.662 | S | S | * | * | trans | -108.6 | 111.4 | -177.7 | 51 | 0 | 0 | 0 | 0 | 108.8 | S29 G33 | S29-T31 WeakPolarHBondContact CB-OG1 3.43Å; S29-T31 PolarHBondContact O-N 3.2Å; S29-T31 PolarHBondContact OG-OG1 3.06Å; T31-G33 PolarHBondContact O-N 2.81Å | ||
| 32 | C | 81.4 | Confident | 71 | Confident | 70 Ų | 70 | 100.5 Ų | 100.5 | 47% | 0.473 | 67% | 0.665 | S | S | . | * | trans | -64 | 131.6 | 174 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | C57 | C32-C57 HydrophobicContact CB-CB 3.53Å; C32-C57 WeakPolarHBondContact CB-SG 3.34Å; C32-C57 WeakPolarHBondContact SG-CA 3.48Å; C32-C57 WeakPolarHBondContact SG-CB 3.39Å; C32-C57 CovalentContact SG-SG 2.04Å; C32-C57 PolarHBondContact SG-SG 2.8Å | ||
| 33 | G | 86.2 | Confident | 73 | Confident | 60 Ų | 60 | 97.9 Ų | 97.9 | 62% | 0.619 | 65% | 0.645 | S | S | * | * | trans | -78.3 | -177.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T31 | T31-G33 PolarHBondContact O-N 2.81Š| ||
| 34 | P | 90.3 | Very high | 74.9 | Confident | 122 Ų | 122 | 93.3 Ų | 93.3 | 79% | 0.792 | 63% | 0.625 | S | S | * | * | trans | -54.2 | 140.3 | 170.6 | -22.4 | 33.5 | 0 | 0 | 0 | 111.3 | E36 | P34-E36 PolarHBondContact O-N 3.31Š| ||
| 35 | C | 91.2 | Very high | 76.8 | Confident | 70 Ų | 70 | 95 Ų | 95 | 47% | 0.473 | 63% | 0.633 | S | S | . | * | trans | -73.5 | 125.3 | 177.1 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | P37 C59 | C35-P37 WeakPolarHBondContact O-CD 3.5Å; C35-C59 WeakPolarHBondContact CA-SG 3.39Å; C35-C59 HydrophobicContact CB-CB 3.64Å; C35-C59 WeakPolarHBondContact CB-SG 3.26Å; C35-C59 WeakPolarHBondContact SG-CA 3.45Å; C35-C59 WeakPolarHBondContact SG-CB 3.27Å; C35-C59 CovalentContact SG-SG 2.04Å; C35-C59 PolarHBondContact SG-SG 3.07Å | ||
| 36 | E | 93.3 | Very high | 78.5 | Confident | 134 Ų | 134 | 97.3 Ų | 97.3 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | trans | -115 | 87.6 | 174.9 | -69.1 | -179.5 | -172.6 | 0 | 0 | 110.1 | P34 A38 A39 C59 | P34-E36 PolarHBondContact O-N 3.31Å; E36-A38 PolarHBondContact O-N 2.81Å; E36-A38 VanDerWaalsContact O-N 3.14Å; E36-A39 HydrophobicContact CB-CB 4.28Å; E36-A39 PolarHBondContact O-N 2.9Å; E36-C59 PolarHBondContact N-SG 2.79Å | ||
| 37 | P | 89.6 | Confident | 80.3 | Confident | 97 Ų | 97 | 93.4 Ų | 93.4 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -60.1 | -29.5 | -173.2 | -26.1 | 34.9 | 0 | 0 | 0 | 114.5 | C35 A39 C40 | C35-P37 WeakPolarHBondContact O-CD 3.5Å; P37-A39 PolarHBondContact O-N 2.94Å; P37-C40 WeakPolarHBondContact O-CB 3.06Å; P37-C40 PolarHBondContact O-N 2.81Å; P37-C40 PolarHBondContact O-SG 2.8Å |
| 38 | A | 90.8 | Very high | 82.2 | Confident | 110 Ų | 110 | 89.3 Ų | 89.3 | 91% | 0.909 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -69.1 | -20.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E36 C40 | E36-A38 PolarHBondContact O-N 2.81Å; E36-A38 VanDerWaalsContact O-N 3.14Å; A38-C40 VanDerWaalsContact C-N 3.32Å |
| 39 | A | 91 | Very high | 83.6 | Confident | 75 Ų | 75 | 88.8 Ų | 88.8 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -88.4 | -0.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E36 P37 | E36-A39 HydrophobicContact CB-CB 4.28Å; E36-A39 PolarHBondContact O-N 2.9Å; P37-A39 PolarHBondContact O-N 2.94Å |
| 40 | C | 90.6 | Very high | 85.1 | Confident | 22 Ų | 22 | 86.5 Ų | 86.5 | 15% | 0.149 | 56% | 0.555 | C | S | . | * | S | Bend | trans | -74.8 | 142.2 | -175.8 | -66.8 | 0 | 0 | 0 | 0 | 112.6 | P37 A38 C60 | P37-C40 WeakPolarHBondContact O-CB 3.06Å; P37-C40 PolarHBondContact O-N 2.81Å; P37-C40 PolarHBondContact O-SG 2.8Å; A38-C40 VanDerWaalsContact C-N 3.32Å; C40-C60 WeakPolarHBondContact CA-SG 3.44Å; C40-C60 HydrophobicContact CB-CB 3.64Å; C40-C60 WeakPolarHBondContact CB-SG 3.45Å; C40-C60 WeakPolarHBondContact SG-CA 3.38Å; C40-C60 WeakPolarHBondContact SG-CB 3.1Å; C40-C60 CovalentContact SG-SG 2.05Å; C40-C60 PolarHBondContact SG-SG 2.83Å |
| 41 | P | 88.6 | Confident | 86.3 | Confident | 91 Ų | 91 | 80 Ų | 80 | 59% | 0.591 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 142.2 | 172.2 | -22.3 | 32.9 | 0 | 0 | 0 | 111.6 | ||
| 42 | P | 88.4 | Confident | 86.9 | Confident | 126 Ų | 126 | 80.1 Ų | 80.1 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -68 | 144.1 | 175.6 | 28.7 | -34.2 | 0 | 0 | 0 | 111 | ||
| 43 | L | 86.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 26% | 0.262 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 159.8 | 171.3 | -68.5 | 179.7 | 0 | 0 | 0 | 111.2 | E52 P61 | L43-E52 HydrophobicContact CD1-CG 3.79Å; L43-E52 VanDerWaalsContact CD1-OE1 3.27Å; L43-E52 WeakPolarHBondContact CD1-OE1 3.47Å; L43-P61 HydrophobicContact CD1-CB 4.16Å; L43-P61 HydrophobicContact CD2-CB 4.32Å; L43-P61 HydrophobicContact CG-CB 4.37Å; L43-P61 HydrophobicContact CG-CG 4.41Å |
| 44 | P | 87.1 | Confident | 87.2 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 143.4 | 173.5 | -24.3 | 34.3 | 0 | 0 | 0 | 111.7 | L46 G47 C63 | P44-L46 PolarHBondContact O-N 2.8Å; P44-L46 VanDerWaalsContact O-N 3.14Å; P44-G47 WeakPolarHBondContact O-CA 3.22Å; P44-G47 PolarHBondContact O-N 2.72Å; P44-C63 VanDerWaalsContact CD-SG 3.58Å |
| 45 | P | 82.3 | Confident | 86.9 | Confident | 140 Ų | 140 | 78 Ų | 78 | 91% | 0.909 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.5 | -176.9 | 24.3 | -33.9 | 0 | 0 | 0 | 113.6 | G47 | P45-G47 VanDerWaalsContact C-N 3.26Š|
| 46 | L | 81 | Confident | 86.3 | Confident | 154 Ų | 154 | 77.2 Ų | 77.2 | 81% | 0.806 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 5.7 | 174.1 | -64.4 | 172.1 | 0 | 0 | 0 | 113 | P44 | P44-L46 PolarHBondContact O-N 2.8Å; P44-L46 VanDerWaalsContact O-N 3.14Å |
| 47 | G | 82.8 | Confident | 85.9 | Confident | 32 Ų | 32 | 74 Ų | 74 | 33% | 0.33 | 46% | 0.461 | S | S | . | . | trans | 69.1 | -172.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P44 P45 | P44-G47 WeakPolarHBondContact O-CA 3.22Å; P44-G47 PolarHBondContact O-N 2.72Å; P45-G47 VanDerWaalsContact C-N 3.26Å | ||
| 48 | C | 86.1 | Confident | 85.7 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 12% | 0.122 | 46% | 0.455 | C | S | . | . | trans | -98.4 | 113.8 | 179.9 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | L50 G51 E52 C63 | C48-L50 PolarHBondContact O-N 3.35Å; C48-L50 VanDerWaalsContact O-N 3.07Å; C48-G51 WeakPolarHBondContact CB-O 3.45Å; C48-G51 PolarHBondContact O-N 2.97Å; C48-E52 HydrophobicContact CB-CG 4.1Å; C48-C63 VanDerWaalsContact CA-SG 3.55Å; C48-C63 HydrophobicContact CB-CB 3.69Å; C48-C63 WeakPolarHBondContact CB-SG 3.36Å; C48-C63 WeakPolarHBondContact SG-CA 3.38Å; C48-C63 WeakPolarHBondContact SG-CB 3.32Å; C48-C63 CovalentContact SG-SG 2.05Å; C48-C63 PolarHBondContact SG-SG 2.92Å | ||
| 49 | L | 82.5 | Confident | 85.6 | Confident | 102 Ų | 102 | 67.2 Ų | 67.2 | 53% | 0.534 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.5 | -176.9 | -63 | 177.6 | 0 | 0 | 0 | 115 | ||
| 50 | L | 83.9 | Confident | 85.5 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 18.1 | -179.6 | -59.6 | 177.9 | 0 | 0 | 0 | 111.9 | C48 A135 Q138 | C48-L50 PolarHBondContact O-N 3.35Å; C48-L50 VanDerWaalsContact O-N 3.07Å; L50-A135 HydrophobicContact CD2-CB 3.44Å; L50-A135 VanDerWaalsContact CD2-CB 3.44Å; L50-Q138 PolarHBondContact O-OE1 2.8Å; L50-Q138 VanDerWaalsContact O-OE1 3.13Å |
| 51 | G | 84.2 | Confident | 85.4 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | trans | 82.4 | 172.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C48 A64 | C48-G51 WeakPolarHBondContact CB-O 3.45Å; C48-G51 PolarHBondContact O-N 2.97Å; G51-A64 WeakPolarHBondContact O-CB 3.4Å; G51-A64 PolarHBondContact O-N 2.92Å | ||
| 52 | E | 87.4 | Confident | 85.4 | Confident | 105 Ų | 105 | 63.4 Ų | 63.4 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 148.5 | -180 | -65.4 | 173 | -156.3 | 0 | 0 | 110.5 | L43 C48 M62 | L43-E52 HydrophobicContact CD1-CG 3.79Å; L43-E52 VanDerWaalsContact CD1-OE1 3.27Å; L43-E52 WeakPolarHBondContact CD1-OE1 3.47Å; C48-E52 HydrophobicContact CB-CG 4.1Å; E52-M62 WeakPolarHBondContact CA-O 3.28Å |
| 53 | T | 87.7 | Confident | 85.4 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 179.6 | 169 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | P61 M62 A64 | T53-P61 WeakPolarHBondContact O-CA 3.11Å; T53-M62 HydrophobicContact CG2-CG 3.64Å; T53-M62 HydrophobicContact CG2-SD 4.4Å; T53-M62 PolarHBondContact N-O 3.43Å; T53-M62 PolarHBondContact O-N 3.1Å; T53-A64 HydrophobicContact CG2-CB 3.73Å |
| 54 | R | 86.7 | Confident | 85.5 | Confident | 131 Ų | 131 | 57.6 Ų | 57.6 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 156.2 | 178.6 | -60.2 | -68.7 | 175.7 | 169.7 | -6.9 | 110.6 | C59 C60 Y80 | R54-C59 PolarHBondContact NH1-O 2.9Å; R54-C60 WeakPolarHBondContact CA-O 3.38Å; R54-Y80 WeakPolarHBondContact O-CD2 3.34Å |
| 55 | D | 82.7 | Confident | 85.6 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | trans | -61.2 | -177 | 170.9 | 68.7 | 20.8 | 0 | 0 | 0 | 113.1 | C57 G58 C59 C60 M62 | D55-C57 PolarHBondContact O-N 3.42Å; D55-C57 VanDerWaalsContact O-N 3.13Å; D55-C57 VanDerWaalsContact OD1-C 3.3Å; D55-C57 WeakPolarHBondContact OD1-CA 3.34Å; D55-C57 PolarHBondContact OD1-N 2.93Å; D55-G58 PolarHBondContact O-N 3.03Å; D55-G58 VanDerWaalsContact O-N 3.08Å; D55-G58 PolarHBondContact OD1-N 2.89Å; D55-C59 PolarHBondContact OD1-N 3.35Å; D55-C60 HydrophobicContact CB-CB 4.47Å; D55-C60 PolarHBondContact N-O 2.93Å; D55-C60 VanDerWaalsContact OD2-CB 3.3Å; D55-C60 WeakPolarHBondContact OD2-CB 3.44Å; D55-C60 PolarHBondContact OD2-N 3.26Å; D55-M62 HydrophobicContact CB-SD 4.38Å | ||
| 56 | A | 79.4 | Confident | 85.9 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y80 | A56-Y80 WeakPolarHBondContact CA-OH 3.32Å; A56-Y80 WeakPolarHBondContact CB-OH 3.5Å; A56-Y80 PolarHBondContact N-OH 2.92Å |
| 57 | C | 84.9 | Confident | 86.3 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -0.3 | -177.8 | -67.6 | 0 | 0 | 0 | 0 | 112.7 | C32 D55 C59 | C32-C57 HydrophobicContact CB-CB 3.53Å; C32-C57 WeakPolarHBondContact CB-SG 3.34Å; C32-C57 WeakPolarHBondContact SG-CA 3.48Å; C32-C57 WeakPolarHBondContact SG-CB 3.39Å; C32-C57 CovalentContact SG-SG 2.04Å; C32-C57 PolarHBondContact SG-SG 2.8Å; D55-C57 PolarHBondContact O-N 3.42Å; D55-C57 VanDerWaalsContact O-N 3.13Å; D55-C57 VanDerWaalsContact OD1-C 3.3Å; D55-C57 WeakPolarHBondContact OD1-CA 3.34Å; D55-C57 PolarHBondContact OD1-N 2.93Å; C57-C59 PolarHBondContact O-N 3.16Å |
| 58 | G | 85 | Confident | 86.5 | Confident | 48 Ų | 48 | 49.6 Ų | 49.6 | 50% | 0.495 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 74.5 | 10.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D55 | D55-G58 PolarHBondContact O-N 3.03Å; D55-G58 VanDerWaalsContact O-N 3.08Å; D55-G58 PolarHBondContact OD1-N 2.89Å |
| 59 | C | 89.2 | Confident | 86.6 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | trans | -93.7 | -73.6 | -171.4 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | C35 E36 R54 D55 C57 | C35-C59 WeakPolarHBondContact CA-SG 3.39Å; C35-C59 HydrophobicContact CB-CB 3.64Å; C35-C59 WeakPolarHBondContact CB-SG 3.26Å; C35-C59 WeakPolarHBondContact SG-CA 3.45Å; C35-C59 WeakPolarHBondContact SG-CB 3.27Å; C35-C59 CovalentContact SG-SG 2.04Å; C35-C59 PolarHBondContact SG-SG 3.07Å; E36-C59 PolarHBondContact N-SG 2.79Å; R54-C59 PolarHBondContact NH1-O 2.9Å; D55-C59 PolarHBondContact OD1-N 3.35Å; C57-C59 PolarHBondContact O-N 3.16Å | ||
| 60 | C | 88.4 | Confident | 86.8 | Confident | 22 Ų | 22 | 51 Ų | 51 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -77.8 | 138.9 | -170.5 | -66.5 | 0 | 0 | 0 | 0 | 112.5 | C40 R54 D55 | C40-C60 WeakPolarHBondContact CA-SG 3.44Å; C40-C60 HydrophobicContact CB-CB 3.64Å; C40-C60 WeakPolarHBondContact CB-SG 3.45Å; C40-C60 WeakPolarHBondContact SG-CA 3.38Å; C40-C60 WeakPolarHBondContact SG-CB 3.1Å; C40-C60 CovalentContact SG-SG 2.05Å; C40-C60 PolarHBondContact SG-SG 2.83Å; R54-C60 WeakPolarHBondContact CA-O 3.38Å; D55-C60 HydrophobicContact CB-CB 4.47Å; D55-C60 PolarHBondContact N-O 2.93Å; D55-C60 VanDerWaalsContact OD2-CB 3.3Å; D55-C60 WeakPolarHBondContact OD2-CB 3.44Å; D55-C60 PolarHBondContact OD2-N 3.26Å |
| 61 | P | 89.1 | Confident | 86.9 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 142.4 | 172.2 | 32.3 | -34.6 | 0 | 0 | 0 | 109.9 | L43 T53 | L43-P61 HydrophobicContact CD1-CB 4.16Å; L43-P61 HydrophobicContact CD2-CB 4.32Å; L43-P61 HydrophobicContact CG-CB 4.37Å; L43-P61 HydrophobicContact CG-CG 4.41Å; T53-P61 WeakPolarHBondContact O-CA 3.11Å |
| 62 | M | 87.7 | Confident | 86.7 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 154.9 | 174.9 | 60.4 | 179.6 | -64.2 | 0 | 0 | 110.6 | E52 T53 D55 A64 R78 Y80 | E52-M62 WeakPolarHBondContact CA-O 3.28Å; T53-M62 HydrophobicContact CG2-CG 3.64Å; T53-M62 HydrophobicContact CG2-SD 4.4Å; T53-M62 PolarHBondContact N-O 3.43Å; T53-M62 PolarHBondContact O-N 3.1Å; D55-M62 HydrophobicContact CB-SD 4.38Å; M62-A64 PolarHBondContact O-N 2.99Å; M62-R78 WeakPolarHBondContact CE-O 3.44Å; M62-Y80 HydrophobicContact CE-CD2 4.23Å; M62-Y80 HydrophobicContact SD-CD2 3.61Å; M62-Y80 HydrophobicContact SD-CE2 4.05Å |
| 63 | C | 88.7 | Confident | 85.6 | Confident | 46 Ų | 46 | 47 Ų | 47 | 31% | 0.311 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132.6 | 175.4 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | P44 C48 | P44-C63 VanDerWaalsContact CD-SG 3.58Å; C48-C63 VanDerWaalsContact CA-SG 3.55Å; C48-C63 HydrophobicContact CB-CB 3.69Å; C48-C63 WeakPolarHBondContact CB-SG 3.36Å; C48-C63 WeakPolarHBondContact SG-CA 3.38Å; C48-C63 WeakPolarHBondContact SG-CB 3.32Å; C48-C63 CovalentContact SG-SG 2.05Å; C48-C63 PolarHBondContact SG-SG 2.92Å |
| 64 | A | 89.8 | Confident | 83.9 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -78 | 154.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G51 T53 M62 A82 | G51-A64 WeakPolarHBondContact O-CB 3.4Å; G51-A64 PolarHBondContact O-N 2.92Å; T53-A64 HydrophobicContact CG2-CB 3.73Å; M62-A64 PolarHBondContact O-N 2.99Å; A64-A82 HydrophobicContact CB-CB 3.94Å |
| 65 | R | 88.5 | Confident | 82.3 | Confident | 76 Ų | 76 | 44.4 Ų | 44.4 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -94 | 140.9 | -177.2 | -69.2 | -164.8 | 179.7 | -114.6 | 11.5 | 113.1 | E69 P70 Y80 C81 A82 | R65-E69 WeakPolarHBondContact CA-OE2 3.27Å; R65-E69 HydrophobicContact CB-CB 4.03Å; R65-E69 WeakPolarHBondContact CB-OE2 3.41Å; R65-E69 WeakPolarHBondContact CG-OE2 3.17Å; R65-P70 WeakPolarHBondContact CD-O 3.36Å; R65-P70 PolarHBondContact NE-O 3.22Å; R65-P70 PolarHBondContact NH1-O 3.06Å; R65-Y80 PolarHBondContact N-O 2.61Å; R65-C81 WeakPolarHBondContact O-CA 3.29Å; R65-A82 PolarHBondContact O-N 3.17Å |
| 66 | G | 88.6 | Confident | 80.5 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 171 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G68 E69 C111 | G66-G68 PolarHBondContact O-N 2.72Å; G66-E69 PolarHBondContact N-OE2 2.82Å; G66-E69 VanDerWaalsContact O-CB 3.32Å; G66-E69 WeakPolarHBondContact O-CB 3.28Å; G66-E69 PolarHBondContact O-N 3.04Å; G66-C111 WeakPolarHBondContact O-CB 3.49Å |
| 67 | E | 88.9 | Confident | 79.2 | Confident | 86 Ų | 86 | 48.4 Ų | 48.4 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 130.4 | 173.6 | -176.9 | 161.2 | -141 | 0 | 0 | 110.4 | E69 M85 C111 | E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 PolarHBondContact O-N 2.77Å; E67-M85 HydrophobicContact CB-CE 4.08Å; E67-C111 WeakPolarHBondContact CA-O 3.2Å |
| 68 | G | 87.6 | Confident | 78.3 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -11.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G66 V110 C111 | G66-G68 PolarHBondContact O-N 2.72Å; G68-V110 VanDerWaalsContact C-CG1 3.45Å; G68-V110 VanDerWaalsContact CA-CG1 3.44Å; G68-V110 WeakPolarHBondContact O-CG1 2.97Å; G68-C111 PolarHBondContact N-O 2.84Å |
| 69 | E | 87.8 | Confident | 77.7 | Confident | 77 Ų | 77 | 47.1 Ų | 47.1 | 36% | 0.36 | 33% | 0.332 | S | S | . | . | trans | -79.9 | 149.3 | 179.3 | -66.7 | -169.6 | 163.1 | 0 | 0 | 112.9 | R65 G66 E67 V110 C111 | R65-E69 WeakPolarHBondContact CA-OE2 3.27Å; R65-E69 HydrophobicContact CB-CB 4.03Å; R65-E69 WeakPolarHBondContact CB-OE2 3.41Å; R65-E69 WeakPolarHBondContact CG-OE2 3.17Å; G66-E69 PolarHBondContact N-OE2 2.82Å; G66-E69 VanDerWaalsContact O-CB 3.32Å; G66-E69 WeakPolarHBondContact O-CB 3.28Å; G66-E69 PolarHBondContact O-N 3.04Å; E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 PolarHBondContact O-N 2.77Å; E69-V110 WeakPolarHBondContact O-CA 3.41Å; E69-C111 PolarHBondContact O-N 2.88Å | ||
| 70 | P | 86.4 | Confident | 77.5 | Confident | 73 Ų | 73 | 49.6 Ų | 49.6 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 135.3 | -179.5 | 28.2 | -34.5 | 0 | 0 | 0 | 111.4 | R65 G109 | R65-P70 WeakPolarHBondContact CD-O 3.36Å; R65-P70 PolarHBondContact NE-O 3.22Å; R65-P70 PolarHBondContact NH1-O 3.06Å; P70-G109 CarbonylContact C-O 3.58Å; P70-G109 WeakPolarHBondContact CA-O 3.4Å |
| 71 | C | 86.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.2 | -178.7 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | G79 C81 C87 S108 G109 V110 C111 | C71-G79 WeakPolarHBondContact CA-O 3.32Å; C71-G79 WeakPolarHBondContact CB-O 3.36Å; C71-C81 VanDerWaalsContact CB-SG 3.59Å; C71-C81 VanDerWaalsContact SG-SG 3.62Å; C71-C87 HydrophobicContact CB-CB 3.88Å; C71-C87 WeakPolarHBondContact CB-SG 3.05Å; C71-C87 PolarHBondContact O-SG 3.22Å; C71-C87 WeakPolarHBondContact SG-CA 3.39Å; C71-C87 WeakPolarHBondContact SG-CB 3.46Å; C71-C87 CovalentContact SG-SG 2.03Å; C71-C87 PolarHBondContact SG-SG 3.27Å; C71-S108 CarbonylContact O-C 3.54Å; C71-G109 PolarHBondContact N-O 3.33Å; C71-G109 WeakPolarHBondContact O-CA 3.19Å; C71-G109 PolarHBondContact O-N 2.62Å; C71-V110 PolarHBondContact SG-N 3.04Å; C71-V110 VanDerWaalsContact SG-N 3.42Å; C71-C111 WeakPolarHBondContact CB-SG 3.21Å; C71-C111 PolarHBondContact SG-N 3.29Å; C71-C111 VanDerWaalsContact SG-N 3.44Å |
| 72 | G | 78.5 | Confident | 77.5 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | trans | 68.2 | 165.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G79 V107 | G72-G79 PolarHBondContact N-O 2.88Å; G72-V107 CarbonylContact C-O 3.54Å | ||
| 73 | G | 65.8 | Low | 77.5 | Confident | 26 Ų | 26 | 49 Ų | 49 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | trans | 128 | 156.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R78 | G73-R78 WeakPolarHBondContact O-CG 3.48Å; G73-R78 PolarHBondContact O-NE 2.99Å | ||
| 74 | G | 51.8 | Low | 77.5 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 65% | 0.649 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -78.6 | 133.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 75 | G | 53.1 | Low | 77.6 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 114.2 | 172.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G77 R78 | G75-G77 PolarHBondContact O-N 2.98Å; G75-R78 VanDerWaalsContact O-CG 3.3Å; G75-R78 WeakPolarHBondContact O-CG 3.48Å; G75-R78 PolarHBondContact O-N 3.08Å |
| 76 | A | 44.1 | Very low | 77.6 | Confident | 121 Ų | 121 | 50.7 Ų | 50.7 | 100% | 1 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 9.5 | -174 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 77 | G | 52.3 | Low | 77.7 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 63% | 0.629 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 13.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G75 G79 | G75-G77 PolarHBondContact O-N 2.98Å; G77-G79 PolarHBondContact O-N 2.83Å |
| 78 | R | 65.7 | Low | 77.7 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 32% | 0.321 | 36% | 0.364 | S | S | . | . | trans | -61.6 | 92.5 | -179.9 | -81.2 | 172.4 | -166 | -145.1 | 12.4 | 111 | D30 M62 G73 G75 Y80 | D30-R78 IonicContact OD1-NH2 3.8Å; M62-R78 WeakPolarHBondContact CE-O 3.44Å; G73-R78 WeakPolarHBondContact O-CG 3.48Å; G73-R78 PolarHBondContact O-NE 2.99Å; G75-R78 VanDerWaalsContact O-CG 3.3Å; G75-R78 WeakPolarHBondContact O-CG 3.48Å; G75-R78 PolarHBondContact O-N 3.08Å; R78-Y80 HydrophobicContact CB-CE2 4.13Å | ||
| 79 | G | 73.1 | Confident | 77.6 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 126.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112 | C71 G72 G77 | C71-G79 WeakPolarHBondContact CA-O 3.32Å; C71-G79 WeakPolarHBondContact CB-O 3.36Å; G72-G79 PolarHBondContact N-O 2.88Å; G77-G79 PolarHBondContact O-N 2.83Å |
| 80 | Y | 84.8 | Confident | 76.6 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -98 | 135.8 | 166.4 | -63.6 | -83.4 | 0 | 0 | 0 | 109.5 | R54 A56 M62 R65 R78 | R54-Y80 WeakPolarHBondContact O-CD2 3.34Å; A56-Y80 WeakPolarHBondContact CA-OH 3.32Å; A56-Y80 WeakPolarHBondContact CB-OH 3.5Å; A56-Y80 PolarHBondContact N-OH 2.92Å; M62-Y80 HydrophobicContact CE-CD2 4.23Å; M62-Y80 HydrophobicContact SD-CD2 3.61Å; M62-Y80 HydrophobicContact SD-CE2 4.05Å; R65-Y80 PolarHBondContact N-O 2.61Å; R78-Y80 HydrophobicContact CB-CE2 4.13Å |
| 81 | C | 88.6 | Confident | 75.5 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 152.5 | 178.4 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | R65 C71 M85 C111 | R65-C81 WeakPolarHBondContact O-CA 3.29Å; C71-C81 VanDerWaalsContact CB-SG 3.59Å; C71-C81 VanDerWaalsContact SG-SG 3.62Å; C81-M85 HydrophobicContact CB-CB 3.53Å; C81-M85 HydrophobicContact CB-SD 4.33Å; C81-C111 WeakPolarHBondContact CA-SG 3.4Å; C81-C111 HydrophobicContact CB-CB 3.69Å; C81-C111 WeakPolarHBondContact CB-SG 3.35Å; C81-C111 WeakPolarHBondContact SG-CA 3.41Å; C81-C111 WeakPolarHBondContact SG-CB 3.35Å; C81-C111 CovalentContact SG-SG 2.03Å; C81-C111 PolarHBondContact SG-SG 3.11Å |
| 82 | A | 89.6 | Confident | 74.1 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 7% | 0.074 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -57 | 153.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A64 R65 G84 M85 | A64-A82 HydrophobicContact CB-CB 3.94Å; R65-A82 PolarHBondContact O-N 3.17Å; A82-G84 PolarHBondContact O-N 2.7Å; A82-M85 HydrophobicContact CB-CE 3.96Å; A82-M85 HydrophobicContact CB-SD 3.89Å; A82-M85 VanDerWaalsContact O-CB 3.3Å; A82-M85 WeakPolarHBondContact O-CB 3.46Å; A82-M85 PolarHBondContact O-N 2.87Å |
| 83 | P | 87.6 | Confident | 72.9 | Confident | 69 Ų | 69 | 82.7 Ų | 82.7 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 125.6 | 178.6 | -28.4 | 35.4 | 0 | 0 | 0 | 112.6 | R134 | P83-R134 VanDerWaalsContact C-NH1 3.34Å; P83-R134 PolarHBondContact O-NH1 3.44Å |
| 84 | G | 88.1 | Confident | 72.3 | Confident | 26 Ų | 26 | 93.3 Ų | 93.3 | 27% | 0.268 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 4.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A82 K114 C131 | A82-G84 PolarHBondContact O-N 2.7Å; G84-K114 WeakPolarHBondContact O-CB 3.44Å; G84-K114 VanDerWaalsContact O-CG 3.23Å; G84-K114 WeakPolarHBondContact O-CG 3.38Å; G84-K114 PolarHBondContact O-N 2.89Å; G84-C131 PolarHBondContact O-SG 3.47Å |
| 85 | M | 90.9 | Very high | 72.2 | Confident | 21 Ų | 21 | 100.4 Ų | 100.4 | 10% | 0.103 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 166.1 | 172 | -60.6 | -178.5 | -176.3 | 0 | 0 | 111.9 | E67 C81 A82 C111 V112 K114 C131 | E67-M85 HydrophobicContact CB-CE 4.08Å; C81-M85 HydrophobicContact CB-CB 3.53Å; C81-M85 HydrophobicContact CB-SD 4.33Å; A82-M85 HydrophobicContact CB-CE 3.96Å; A82-M85 HydrophobicContact CB-SD 3.89Å; A82-M85 VanDerWaalsContact O-CB 3.3Å; A82-M85 WeakPolarHBondContact O-CB 3.46Å; A82-M85 PolarHBondContact O-N 2.87Å; M85-C111 HydrophobicContact SD-CB 4.1Å; M85-V112 CarbonylContact C-O 3.59Å; M85-V112 VanDerWaalsContact CA-O 3.27Å; M85-V112 WeakPolarHBondContact CA-O 3.03Å; M85-V112 WeakPolarHBondContact CB-O 3.36Å; M85-K114 WeakPolarHBondContact O-CE 3.29Å; M85-C131 HydrophobicContact CE-CB 3.54Å; M85-C131 HydrophobicContact CG-CB 4.29Å |
| 86 | E | 90.4 | Very high | 71.9 | Confident | 117 Ų | 117 | 101.3 Ų | 101.3 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.2 | 173.2 | -173.3 | 177.1 | 178.3 | 0 | 0 | 110.5 | V88 V112 K114 | E86-V88 PolarHBondContact O-N 2.85Å; E86-V112 PolarHBondContact N-O 2.8Å; E86-V112 PolarHBondContact O-N 2.8Å; E86-K114 HydrophobicContact CB-CG 4.42Å |
| 87 | C | 89 | Confident | 71.8 | Confident | 48 Ų | 48 | 105.7 Ų | 105.7 | 32% | 0.324 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 101.9 | 176 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | C71 | C71-C87 HydrophobicContact CB-CB 3.88Å; C71-C87 WeakPolarHBondContact CB-SG 3.05Å; C71-C87 PolarHBondContact O-SG 3.22Å; C71-C87 WeakPolarHBondContact SG-CA 3.39Å; C71-C87 WeakPolarHBondContact SG-CB 3.46Å; C71-C87 CovalentContact SG-SG 2.03Å; C71-C87 PolarHBondContact SG-SG 3.27Å |
| 88 | V | 89.7 | Confident | 71.5 | Confident | 60 Ų | 60 | 108.1 Ų | 108.1 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.6 | -177.7 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | E86 G109 V110 V112 | E86-V88 PolarHBondContact O-N 2.85Å; V88-G109 CarbonylContact O-C 3.58Å; V88-G109 WeakPolarHBondContact O-CA 3.06Å; V88-V110 WeakPolarHBondContact CG2-O 3.38Å; V88-V110 PolarHBondContact N-O 3.45Å; V88-V110 PolarHBondContact O-N 2.96Å; V88-V112 HydrophobicContact CG1-CB 4.37Å; V88-V112 HydrophobicContact CG2-CB 4.18Å; V88-V112 HydrophobicContact CG2-CG2 3.45Å; V88-V112 VanDerWaalsContact CG2-CG2 3.45Å |
| 89 | K | 84.6 | Confident | 70.2 | Confident | 147 Ų | 147 | 107.7 Ų | 107.7 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.3 | 179 | -64.6 | 175.2 | 177.5 | 176.5 | 0 | 110.8 | R91 V107 | K89-R91 PolarHBondContact O-N 2.05Å; K89-V107 HydrophobicContact CB-CG1 4.33Å; K89-V107 HydrophobicContact CD-CG1 3.83Å; K89-V107 HydrophobicContact CG-CG1 3.96Å |
| 90 | S | 68 | Low | 69.2 | Low | 92 Ų | 92 | 112.8 Ų | 112.8 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 119.8 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 111 | K92 | S90-K92 PolarHBondContact O-N 2.82Š|
| 91 | R | 63.8 | Low | 67.1 | Low | 237 Ų | 237 | 114 Ų | 114 | 89% | 0.894 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -70.6 | -7.8 | 179.7 | -67.9 | -173 | 177.5 | -175.9 | -0.2 | 113.9 | K89 R93 | K89-R91 PolarHBondContact O-N 2.05Å; R91-R93 PolarHBondContact O-N 2.83Å |
| 92 | K | 56.3 | Low | 64.8 | Low | 197 Ų | 197 | 117.9 Ų | 117.9 | 86% | 0.857 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -66.3 | -8.5 | -171.8 | -108.4 | -177.6 | 179.5 | 179.6 | 0 | 115.4 | S90 | S90-K92 PolarHBondContact O-N 2.82Š|
| 93 | R | 53.9 | Low | 62.5 | Low | 223 Ų | 223 | 121.7 Ų | 121.7 | 84% | 0.842 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -101.3 | 13.4 | -177.2 | -110.9 | -173.7 | 178.1 | -176.2 | -0.2 | 116.2 | R91 K95 | R91-R93 PolarHBondContact O-N 2.83Å; R93-K95 VanDerWaalsContact C-N 3.35Å |
| 94 | R | 53.7 | Low | 60.1 | Low | 249 Ų | 249 | 121.8 Ų | 121.8 | 94% | 0.94 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -89.1 | 11.6 | 171.3 | -83.3 | -163.7 | 178.1 | -179.5 | 0.3 | 115 | ||
| 95 | K | 49.5 | Very low | 58.2 | Low | 212 Ų | 212 | 126.3 Ų | 126.3 | 92% | 0.922 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -125 | 60.3 | 172.6 | -150 | 173.8 | -175.7 | -179.9 | 0 | 110.5 | R93 | R93-K95 VanDerWaalsContact C-N 3.35Š|
| 96 | G | 47.3 | Very low | 56.7 | Low | 63 Ų | 63 | 127.1 Ų | 127.1 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -160 | 84.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 97 | K | 40.7 | Very low | 54.9 | Low | 214 Ų | 214 | 125.8 Ų | 125.8 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | trans | 36.4 | 131.1 | 159 | -74.9 | -179.2 | 172.7 | -178.6 | 0 | 120.6 | ||||
| 98 | A | 45.2 | Very low | 54.2 | Low | 112 Ų | 112 | 127.1 Ų | 127.1 | 93% | 0.926 | 75% | 0.752 | S | S | * | * | trans | -46.2 | 141.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 99 | G | 40.3 | Very low | 54 | Low | 75 Ų | 75 | 124.3 Ų | 124.3 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | 168.5 | 72.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A101 | G99-A101 PolarHBondContact O-N 2.83Š| ||
| 100 | A | 51.3 | Low | 54.2 | Low | 111 Ų | 111 | 120.3 Ų | 120.3 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -72.5 | 102.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 101 | A | 41.3 | Very low | 55.2 | Low | 93 Ų | 93 | 115.9 Ų | 115.9 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | -168.7 | 131.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G99 | G99-A101 PolarHBondContact O-N 2.83Š| ||
| 102 | A | 38.8 | Very low | 56.6 | Low | 100 Ų | 100 | 106.9 Ų | 106.9 | 83% | 0.826 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 59.8 | 101.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | G104 | A102-G104 PolarHBondContact O-N 2.88Š|
| 103 | G | 42 | Very low | 58.3 | Low | 89 Ų | 89 | 97.7 Ų | 97.7 | 92% | 0.918 | 62% | 0.624 | S | S | * | * | trans | 56.2 | 44.4 | 137.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 104 | G | 38.2 | Very low | 60.2 | Low | 71 Ų | 71 | 93.9 Ų | 93.9 | 73% | 0.732 | 61% | 0.613 | S | S | * | * | trans | -85.3 | 133.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A102 | A102-G104 PolarHBondContact O-N 2.88Š| ||
| 105 | P | 48.2 | Very low | 61.9 | Low | 121 Ų | 121 | 83 Ų | 83 | 79% | 0.786 | 58% | 0.575 | S | S | * | * | trans | -77.6 | 141.1 | -172 | 31 | -34.5 | 0 | 0 | 0 | 113.6 | ||||
| 106 | G | 59.1 | Low | 63.7 | Low | 38 Ų | 38 | 83.4 Ų | 83.4 | 39% | 0.392 | 57% | 0.571 | S | S | . | * | trans | 73.5 | 85.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | S108 | G106-S108 VanDerWaalsContact C-N 3.27Å; G106-S108 PolarHBondContact O-N 3.04Å; G106-S108 VanDerWaalsContact O-N 3.11Å | ||
| 107 | V | 52.9 | Low | 65.8 | Low | 90 Ų | 90 | 85.1 Ų | 85.1 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | trans | -78.6 | 87.5 | 151.9 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | G72 K89 | G72-V107 CarbonylContact C-O 3.54Å; K89-V107 HydrophobicContact CB-CG1 4.33Å; K89-V107 HydrophobicContact CD-CG1 3.83Å; K89-V107 HydrophobicContact CG-CG1 3.96Å | ||
| 108 | S | 73.1 | Confident | 68.4 | Low | 76 Ų | 76 | 77.3 Ų | 77.3 | 53% | 0.531 | 53% | 0.53 | S | S | . | . | trans | -74.6 | 117.6 | 168.9 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | C71 G106 | C71-S108 CarbonylContact O-C 3.54Å; G106-S108 VanDerWaalsContact C-N 3.27Å; G106-S108 PolarHBondContact O-N 3.04Å; G106-S108 VanDerWaalsContact O-N 3.11Å | ||
| 109 | G | 85.1 | Confident | 70.8 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.01 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -176.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P70 C71 V88 | P70-G109 CarbonylContact C-O 3.58Å; P70-G109 WeakPolarHBondContact CA-O 3.4Å; C71-G109 PolarHBondContact N-O 3.33Å; C71-G109 WeakPolarHBondContact O-CA 3.19Å; C71-G109 PolarHBondContact O-N 2.62Å; V88-G109 CarbonylContact O-C 3.58Å; V88-G109 WeakPolarHBondContact O-CA 3.06Å |
| 110 | V | 88.9 | Confident | 73.6 | Confident | 62 Ų | 62 | 68.9 Ų | 68.9 | 38% | 0.376 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140 | 173.8 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | G68 E69 C71 V88 V112 | G68-V110 VanDerWaalsContact C-CG1 3.45Å; G68-V110 VanDerWaalsContact CA-CG1 3.44Å; G68-V110 WeakPolarHBondContact O-CG1 2.97Å; E69-V110 WeakPolarHBondContact O-CA 3.41Å; C71-V110 PolarHBondContact SG-N 3.04Å; C71-V110 VanDerWaalsContact SG-N 3.42Å; V88-V110 WeakPolarHBondContact CG2-O 3.38Å; V88-V110 PolarHBondContact N-O 3.45Å; V88-V110 PolarHBondContact O-N 2.96Å; V110-V112 PolarHBondContact O-N 3.46Å |
| 111 | C | 90.1 | Very high | 75.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 124.7 | 174.5 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | G66 E67 G68 E69 C71 C81 M85 | G66-C111 WeakPolarHBondContact O-CB 3.49Å; E67-C111 WeakPolarHBondContact CA-O 3.2Å; G68-C111 PolarHBondContact N-O 2.84Å; E69-C111 PolarHBondContact O-N 2.88Å; C71-C111 WeakPolarHBondContact CB-SG 3.21Å; C71-C111 PolarHBondContact SG-N 3.29Å; C71-C111 VanDerWaalsContact SG-N 3.44Å; C81-C111 WeakPolarHBondContact CA-SG 3.4Å; C81-C111 HydrophobicContact CB-CB 3.69Å; C81-C111 WeakPolarHBondContact CB-SG 3.35Å; C81-C111 WeakPolarHBondContact SG-CA 3.41Å; C81-C111 WeakPolarHBondContact SG-CB 3.35Å; C81-C111 CovalentContact SG-SG 2.03Å; C81-C111 PolarHBondContact SG-SG 3.11Å; M85-C111 HydrophobicContact SD-CB 4.1Å |
| 112 | V | 92.3 | Very high | 78.4 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 29% | 0.291 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 109.3 | M85 E86 V88 V110 | M85-V112 CarbonylContact C-O 3.59Å; M85-V112 VanDerWaalsContact CA-O 3.27Å; M85-V112 WeakPolarHBondContact CA-O 3.03Å; M85-V112 WeakPolarHBondContact CB-O 3.36Å; E86-V112 PolarHBondContact N-O 2.8Å; E86-V112 PolarHBondContact O-N 2.8Å; V88-V112 HydrophobicContact CG1-CB 4.37Å; V88-V112 HydrophobicContact CG2-CB 4.18Å; V88-V112 HydrophobicContact CG2-CG2 3.45Å; V88-V112 VanDerWaalsContact CG2-CG2 3.45Å; V110-V112 PolarHBondContact O-N 3.46Å |
| 113 | C | 93.3 | Very high | 81.1 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.027 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 137.2 | 178.5 | -166.5 | 0 | 0 | 0 | 0 | 111.8 | S115 C131 | C113-S115 VanDerWaalsContact C-N 3.31Å; C113-S115 WeakPolarHBondContact CB-O 3.33Å; C113-S115 PolarHBondContact SG-N 3.35Å; C113-S115 PolarHBondContact SG-O 3.49Å; C113-C131 WeakPolarHBondContact CA-SG 3.39Å; C113-C131 HydrophobicContact CB-CB 3.73Å; C113-C131 WeakPolarHBondContact CB-SG 3.42Å; C113-C131 WeakPolarHBondContact SG-CB 3.46Å; C113-C131 PolarHBondContact SG-N 3.22Å; C113-C131 VanDerWaalsContact SG-N 3.38Å; C113-C131 CovalentContact SG-SG 2.03Å; C113-C131 PolarHBondContact SG-SG 3.11Å |
| 114 | K | 91.9 | Very high | 83.7 | Confident | 142 Ų | 142 | 59 Ų | 59 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -69.7 | -31.9 | 172.3 | -67.3 | 178.7 | 177.8 | -177.8 | 0 | 111.7 | G84 M85 E86 | G84-K114 WeakPolarHBondContact O-CB 3.44Å; G84-K114 VanDerWaalsContact O-CG 3.23Å; G84-K114 WeakPolarHBondContact O-CG 3.38Å; G84-K114 PolarHBondContact O-N 2.89Å; M85-K114 WeakPolarHBondContact O-CE 3.29Å; E86-K114 HydrophobicContact CB-CG 4.42Å |
| 115 | S | 89.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | trans | -82.2 | 120.4 | 170.7 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | C113 Y117 | C113-S115 VanDerWaalsContact C-N 3.31Å; C113-S115 WeakPolarHBondContact CB-O 3.33Å; C113-S115 PolarHBondContact SG-N 3.35Å; C113-S115 PolarHBondContact SG-O 3.49Å; S115-Y117 WeakPolarHBondContact OG-CE1 3.39Å; S115-Y117 PolarHBondContact OG-O 2.85Å | ||
| 116 | R | 87.3 | Confident | 88.8 | Confident | 222 Ų | 222 | 55.8 Ų | 55.8 | 84% | 0.838 | 32% | 0.318 | S | S | * | . | trans | -105.5 | 9 | 177.6 | -58.4 | -174.1 | -178.1 | -165 | 1.3 | 113.2 | ||||
| 117 | Y | 91.9 | Very high | 90.6 | Very high | 98 Ų | 98 | 55.4 Ų | 55.4 | 38% | 0.384 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -119.8 | 150 | -178.5 | 57.3 | -94.5 | 0 | 0 | 0 | 110.4 | S115 V119 P128 K153 | S115-Y117 WeakPolarHBondContact OG-CE1 3.39Å; S115-Y117 PolarHBondContact OG-O 2.85Å; Y117-V119 HydrophobicContact CD2-CG1 4.13Å; Y117-V119 HydrophobicContact CE2-CG1 3.86Å; Y117-P128 CarbonylContact C-O 3.47Å; Y117-K153 HydrophobicContact CD2-CB 4.35Å; Y117-K153 HydrophobicContact CE2-CB 3.85Å; Y117-K153 HydrophobicContact CE2-CD 4.02Å; Y117-K153 HydrophobicContact CE2-CG 3.78Å |
| 118 | P | 95.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | trans | -60.4 | 154.8 | 175 | -23 | 33.5 | 0 | 0 | 0 | 112.6 | T126 Y127 G154 T155 | P118-T126 HydrophobicContact CB-CG2 4.11Å; P118-Y127 CarbonylContact C-O 3.58Å; P118-Y127 WeakPolarHBondContact CA-O 3.31Å; P118-G154 CarbonylContact C-O 3.6Å; P118-G154 CarbonylContact O-C 3.49Å; P118-G154 WeakPolarHBondContact O-CA 3.38Å; P118-G154 PolarHBondContact O-N 3.45Å; P118-T155 HydrophobicContact CB-CG2 3.87Å; P118-T155 HydrophobicContact CG-CG2 4.24Å | ||
| 119 | V | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147 | 177 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | Y117 Y127 L133 Q150 G154 | Y117-V119 HydrophobicContact CD2-CG1 4.13Å; Y117-V119 HydrophobicContact CE2-CG1 3.86Å; V119-Y127 PolarHBondContact N-O 3.41Å; V119-Y127 PolarHBondContact O-N 3.38Å; V119-L133 HydrophobicContact CB-CD1 4.43Å; V119-L133 HydrophobicContact CG2-CB 3.85Å; V119-L133 HydrophobicContact CG2-CD1 3.56Å; V119-L133 HydrophobicContact CG2-CG 4.37Å; V119-Q150 HydrophobicContact CB-CG 4.14Å; V119-Q150 VanDerWaalsContact CG1-NE2 3.28Å; V119-G154 CarbonylContact C-O 3.51Å; V119-G154 WeakPolarHBondContact CA-O 3.23Å; V119-G154 PolarHBondContact N-O 2.9Å |
| 120 | C | 97.4 | Very high | 94 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.5 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | V151 S152 G154 C156 | C120-V151 PolarHBondContact O-N 2.95Å; C120-S152 VanDerWaalsContact CB-OG 3.25Å; C120-S152 WeakPolarHBondContact CB-OG 3.22Å; C120-S152 PolarHBondContact N-O 3.48Å; C120-G154 PolarHBondContact N-O 3.38Å; C120-C156 WeakPolarHBondContact CA-SG 3.31Å; C120-C156 HydrophobicContact CB-CB 3.96Å; C120-C156 WeakPolarHBondContact CB-SG 3.2Å; C120-C156 WeakPolarHBondContact SG-CA 3.18Å; C120-C156 WeakPolarHBondContact SG-CB 3.41Å; C120-C156 CovalentContact SG-SG 2.05Å; C120-C156 PolarHBondContact SG-SG 3.04Å |
| 121 | G | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 159.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D123 G124 T125 T149 | G121-D123 WeakPolarHBondContact CA-OD1 3.41Å; G121-D123 PolarHBondContact O-N 2.79Å; G121-D123 VanDerWaalsContact O-N 3.16Å; G121-G124 PolarHBondContact O-N 2.94Å; G121-T125 PolarHBondContact N-O 2.87Å; G121-T149 CarbonylContact C-O 3.44Å; G121-T149 WeakPolarHBondContact CA-O 3.23Å |
| 122 | S | 97.4 | Very high | 94.3 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 43% | 0.427 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -7.7 | 173.5 | 59 | 0 | 0 | 0 | 0 | 113.9 | G124 T149 | S122-G124 VanDerWaalsContact C-N 3.33Å; S122-T149 WeakPolarHBondContact CB-OG1 3.4Å; S122-T149 PolarHBondContact N-O 3.02Å; S122-T149 PolarHBondContact OG-N 3.36Å; S122-T149 PolarHBondContact OG-OG1 3.21Å |
| 123 | D | 95.9 | Very high | 94.4 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 36% | 0.358 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 4.4 | 171.7 | 60.1 | -6.4 | 0 | 0 | 0 | 112.9 | G121 T125 Y127 I148 | G121-D123 WeakPolarHBondContact CA-OD1 3.41Å; G121-D123 PolarHBondContact O-N 2.79Å; G121-D123 VanDerWaalsContact O-N 3.16Å; D123-T125 PolarHBondContact O-N 2.82Å; D123-T125 WeakPolarHBondContact OD1-CB 3.46Å; D123-T125 PolarHBondContact OD1-N 2.91Å; D123-Y127 PolarHBondContact OD2-OH 2.91Å; D123-I148 HydrophobicContact CB-CG1 4.45Å; D123-I148 HydrophobicContact CB-CG2 4.47Å; D123-I148 WeakPolarHBondContact OD2-CD1 3.47Å |
| 124 | G | 95.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 57.1 Ų | 57.1 | 57% | 0.567 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 72.3 | 7.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | G121 S122 C156 | G121-G124 PolarHBondContact O-N 2.94Å; S122-G124 VanDerWaalsContact C-N 3.33Å; G124-C156 PolarHBondContact O-SG 2.79Å; G124-C156 VanDerWaalsContact O-SG 3.37Å |
| 125 | T | 97.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 51 Ų | 51 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 134.1 | 179.7 | -62 | 0 | 0 | 0 | 0 | 110.5 | G121 D123 Y127 C156 | G121-T125 PolarHBondContact N-O 2.87Å; D123-T125 PolarHBondContact O-N 2.82Å; D123-T125 WeakPolarHBondContact OD1-CB 3.46Å; D123-T125 PolarHBondContact OD1-N 2.91Å; T125-Y127 HydrophobicContact CG2-CD2 4.5Å; T125-Y127 HydrophobicContact CG2-CE2 4.05Å; T125-Y127 VanDerWaalsContact O-CD2 3.28Å; T125-Y127 WeakPolarHBondContact O-CD2 3.04Å; T125-Y127 WeakPolarHBondContact O-CE2 3.42Å; T125-C156 VanDerWaalsContact C-SG 3.53Å; T125-C156 PolarHBondContact O-SG 3.35Å |
| 126 | T | 97 | Very high | 94.5 | Very high | 57 Ų | 57 | 50.9 Ų | 50.9 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 120.1 | 170.9 | -67 | 0 | 0 | 0 | 0 | 109.7 | P118 T155 C156 | P118-T126 HydrophobicContact CB-CG2 4.11Å; T126-T155 HydrophobicContact CG2-CG2 3.52Å; T126-C156 PolarHBondContact OG1-N 2.03Å |
| 127 | Y | 96.1 | Very high | 94.9 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.1 | 174.7 | -68.3 | -87.8 | 0 | 0 | 0 | 110.5 | P118 V119 D123 T125 S129 Q132 L133 A136 I148 | P118-Y127 CarbonylContact C-O 3.58Å; P118-Y127 WeakPolarHBondContact CA-O 3.31Å; V119-Y127 PolarHBondContact N-O 3.41Å; V119-Y127 PolarHBondContact O-N 3.38Å; D123-Y127 PolarHBondContact OD2-OH 2.91Å; T125-Y127 HydrophobicContact CG2-CD2 4.5Å; T125-Y127 HydrophobicContact CG2-CE2 4.05Å; T125-Y127 VanDerWaalsContact O-CD2 3.28Å; T125-Y127 WeakPolarHBondContact O-CD2 3.04Å; T125-Y127 WeakPolarHBondContact O-CE2 3.42Å; Y127-S129 PolarHBondContact O-N 3.24Å; Y127-S129 VanDerWaalsContact O-N 3.13Å; Y127-Q132 HydrophobicContact CD1-CB 4.34Å; Y127-L133 HydrophobicContact CD1-CB 4.2Å; Y127-L133 HydrophobicContact CD2-CB 3.84Å; Y127-L133 HydrophobicContact CD2-CD1 3.91Å; Y127-L133 HydrophobicContact CD2-CG 3.9Å; Y127-L133 HydrophobicContact CE2-CB 4.48Å; Y127-L133 HydrophobicContact CE2-CD1 4.45Å; Y127-L133 HydrophobicContact CE2-CG 4.23Å; Y127-L133 HydrophobicContact CG-CB 3.68Å; Y127-L133 HydrophobicContact CG-CG 4.27Å; Y127-A136 HydrophobicContact CD1-CB 4.37Å; Y127-A136 HydrophobicContact CE1-CB 3.41Å; Y127-A136 VanDerWaalsContact CE1-CB 3.41Å; Y127-I148 HydrophobicContact CE2-CG2 4.14Å |
| 128 | P | 94.3 | Very high | 94.8 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -58 | -27 | 178.6 | -27.5 | 34.6 | 0 | 0 | 0 | 114.6 | Y117 Q132 | Y117-P128 CarbonylContact C-O 3.47Å; P128-Q132 VanDerWaalsContact CD-OE1 3.27Å; P128-Q132 VanDerWaalsContact CG-OE1 3.3Å |
| 129 | S | 93.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -150.3 | 159.7 | 175.6 | 78.6 | 0 | 0 | 0 | 0 | 111.3 | Y127 C131 Q132 L133 | Y127-S129 PolarHBondContact O-N 3.24Å; Y127-S129 VanDerWaalsContact O-N 3.13Å; S129-C131 PolarHBondContact O-N 3.34Å; S129-C131 PolarHBondContact OG-N 3.48Å; S129-Q132 PolarHBondContact O-N 3.01Å; S129-Q132 VanDerWaalsContact O-N 3.16Å; S129-Q132 PolarHBondContact OG-N 3.23Å; S129-L133 PolarHBondContact O-N 2.89Å |
| 130 | G | 93.9 | Very high | 94.4 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -22.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R134 | G130-R134 VanDerWaalsContact O-CG 3.3Å; G130-R134 WeakPolarHBondContact O-CG 3.34Å; G130-R134 PolarHBondContact O-N 3.47Å |
| 131 | C | 92.8 | Very high | 94 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.2 | -36.3 | 176.6 | -57.7 | 0 | 0 | 0 | 0 | 112 | G84 M85 C113 S129 R134 A135 | G84-C131 PolarHBondContact O-SG 3.47Å; M85-C131 HydrophobicContact CE-CB 3.54Å; M85-C131 HydrophobicContact CG-CB 4.29Å; C113-C131 WeakPolarHBondContact CA-SG 3.39Å; C113-C131 HydrophobicContact CB-CB 3.73Å; C113-C131 WeakPolarHBondContact CB-SG 3.42Å; C113-C131 WeakPolarHBondContact SG-CB 3.46Å; C113-C131 PolarHBondContact SG-N 3.22Å; C113-C131 VanDerWaalsContact SG-N 3.38Å; C113-C131 CovalentContact SG-SG 2.03Å; C113-C131 PolarHBondContact SG-SG 3.11Å; S129-C131 PolarHBondContact O-N 3.34Å; S129-C131 PolarHBondContact OG-N 3.48Å; C131-R134 PolarHBondContact O-N 2.88Å; C131-A135 WeakPolarHBondContact O-CB 3.3Å; C131-A135 PolarHBondContact O-N 3.02Å |
| 132 | Q | 92.8 | Very high | 93.6 | Very high | 83 Ų | 83 | 50 Ų | 50 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 174.4 | -68.2 | -174.6 | 30.1 | 0 | 0 | 111.7 | Y127 P128 S129 R134 A135 A136 | Y127-Q132 HydrophobicContact CD1-CB 4.34Å; P128-Q132 VanDerWaalsContact CD-OE1 3.27Å; P128-Q132 VanDerWaalsContact CG-OE1 3.3Å; S129-Q132 PolarHBondContact O-N 3.01Å; S129-Q132 VanDerWaalsContact O-N 3.16Å; S129-Q132 PolarHBondContact OG-N 3.23Å; Q132-R134 PolarHBondContact O-N 2.71Å; Q132-A135 PolarHBondContact O-N 3.3Å; Q132-A136 WeakPolarHBondContact O-CB 2.94Å; Q132-A136 PolarHBondContact O-N 3.42Å |
| 133 | L | 94.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 171.3 | -177 | 157.1 | 0 | 0 | 0 | 111.2 | V119 Y127 S129 A135 A136 S137 I148 Q150 | V119-L133 HydrophobicContact CB-CD1 4.43Å; V119-L133 HydrophobicContact CG2-CB 3.85Å; V119-L133 HydrophobicContact CG2-CD1 3.56Å; V119-L133 HydrophobicContact CG2-CG 4.37Å; Y127-L133 HydrophobicContact CD1-CB 4.2Å; Y127-L133 HydrophobicContact CD2-CB 3.84Å; Y127-L133 HydrophobicContact CD2-CD1 3.91Å; Y127-L133 HydrophobicContact CD2-CG 3.9Å; Y127-L133 HydrophobicContact CE2-CB 4.48Å; Y127-L133 HydrophobicContact CE2-CD1 4.45Å; Y127-L133 HydrophobicContact CE2-CG 4.23Å; Y127-L133 HydrophobicContact CG-CB 3.68Å; Y127-L133 HydrophobicContact CG-CG 4.27Å; S129-L133 PolarHBondContact O-N 2.89Å; L133-A135 PolarHBondContact O-N 3.44Å; L133-A136 PolarHBondContact O-N 2.91Å; L133-S137 PolarHBondContact O-N 3.36Å; L133-I148 HydrophobicContact CD2-CG2 4.42Å; L133-I148 WeakPolarHBondContact CD2-O 3.27Å; L133-I148 HydrophobicContact CG-CG2 4.17Å; L133-Q150 HydrophobicContact CD1-CB 4.02Å |
| 134 | R | 92.9 | Very high | 93 | Very high | 124 Ų | 124 | 56 Ų | 56 | 47% | 0.468 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 178.8 | -72.8 | 172 | -172.5 | -161.5 | -4 | 112.4 | P83 G130 C131 Q132 A136 S137 Q138 | P83-R134 VanDerWaalsContact C-NH1 3.34Å; P83-R134 PolarHBondContact O-NH1 3.44Å; G130-R134 VanDerWaalsContact O-CG 3.3Å; G130-R134 WeakPolarHBondContact O-CG 3.34Å; G130-R134 PolarHBondContact O-N 3.47Å; C131-R134 PolarHBondContact O-N 2.88Å; Q132-R134 PolarHBondContact O-N 2.71Å; R134-A136 VanDerWaalsContact C-N 3.31Å; R134-A136 PolarHBondContact O-N 3.39Å; R134-S137 WeakPolarHBondContact O-CB 3.46Å; R134-S137 PolarHBondContact O-N 3.34Å; R134-Q138 WeakPolarHBondContact O-CG 3.49Å; R134-Q138 PolarHBondContact O-N 2.03Å |
| 135 | A | 91.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L50 C131 Q132 L133 R139 | L50-A135 HydrophobicContact CD2-CB 3.44Å; L50-A135 VanDerWaalsContact CD2-CB 3.44Å; C131-A135 WeakPolarHBondContact O-CB 3.3Å; C131-A135 PolarHBondContact O-N 3.02Å; Q132-A135 PolarHBondContact O-N 3.3Å; L133-A135 PolarHBondContact O-N 3.44Å; A135-R139 VanDerWaalsContact O-CG 3.29Å; A135-R139 WeakPolarHBondContact O-CG 2.85Å; A135-R139 PolarHBondContact O-N 2.9Å |
| 136 | A | 93.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y127 Q132 L133 R134 Q138 R139 A140 I148 | Y127-A136 HydrophobicContact CD1-CB 4.37Å; Y127-A136 HydrophobicContact CE1-CB 3.41Å; Y127-A136 VanDerWaalsContact CE1-CB 3.41Å; Q132-A136 WeakPolarHBondContact O-CB 2.94Å; Q132-A136 PolarHBondContact O-N 3.42Å; L133-A136 PolarHBondContact O-N 2.91Å; R134-A136 VanDerWaalsContact C-N 3.31Å; R134-A136 PolarHBondContact O-N 3.39Å; A136-Q138 PolarHBondContact O-N 2.87Å; A136-R139 PolarHBondContact O-N 2.85Å; A136-A140 PolarHBondContact O-N 3.27Å; A136-I148 HydrophobicContact CB-CD1 4.06Å |
| 137 | S | 94.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.2 | -48.6 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 112 | L133 R134 R139 A140 E141 A147 I148 | L133-S137 PolarHBondContact O-N 3.36Å; R134-S137 WeakPolarHBondContact O-CB 3.46Å; R134-S137 PolarHBondContact O-N 3.34Å; S137-R139 VanDerWaalsContact C-N 3.31Å; S137-R139 PolarHBondContact O-N 3.22Å; S137-A140 WeakPolarHBondContact O-CB 3.46Å; S137-A140 PolarHBondContact O-N 2.92Å; S137-E141 WeakPolarHBondContact O-CG 3.41Å; S137-E141 PolarHBondContact O-N 3.06Å; S137-A147 WeakPolarHBondContact OG-CA 3.33Å; S137-A147 WeakPolarHBondContact OG-CB 3.41Å; S137-I148 WeakPolarHBondContact CB-O 3.23Å; S137-I148 PolarHBondContact OG-N 3.18Å; S137-I148 PolarHBondContact OG-O 2.84Å |
| 138 | Q | 91.1 | Very high | 92.8 | Very high | 50 Ų | 50 | 63.6 Ų | 63.6 | 23% | 0.234 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -35.6 | -179.2 | -71.7 | 164.9 | -8.9 | 0 | 0 | 112.2 | L50 R134 A136 E141 S142 | L50-Q138 PolarHBondContact O-OE1 2.8Å; L50-Q138 VanDerWaalsContact O-OE1 3.13Å; R134-Q138 WeakPolarHBondContact O-CG 3.49Å; R134-Q138 PolarHBondContact O-N 2.03Å; A136-Q138 PolarHBondContact O-N 2.87Å; Q138-E141 PolarHBondContact O-N 3.49Å; Q138-S142 WeakPolarHBondContact O-CB 3.32Å; Q138-S142 PolarHBondContact O-N 3.39Å |
| 139 | R | 89.4 | Confident | 92.9 | Very high | 120 Ų | 120 | 63.7 Ų | 63.7 | 45% | 0.453 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 173.6 | -71.2 | 171.7 | -169 | 168.9 | 1.8 | 111.4 | A135 A136 S137 S142 R143 | A135-R139 VanDerWaalsContact O-CG 3.29Å; A135-R139 WeakPolarHBondContact O-CG 2.85Å; A135-R139 PolarHBondContact O-N 2.9Å; A136-R139 PolarHBondContact O-N 2.85Å; S137-R139 VanDerWaalsContact C-N 3.31Å; S137-R139 PolarHBondContact O-N 3.22Å; R139-S142 PolarHBondContact O-N 2.88Å; R139-S142 PolarHBondContact O-OG 3Å; R139-R143 WeakPolarHBondContact O-CG 3.32Å; R139-R143 PolarHBondContact O-N 3.48Å |
| 140 | A | 92.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 67.5 Ų | 67.5 | 5% | 0.05 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | A136 S137 S142 R143 G144 E145 I148 | A136-A140 PolarHBondContact O-N 3.27Å; S137-A140 WeakPolarHBondContact O-CB 3.46Å; S137-A140 PolarHBondContact O-N 2.92Å; A140-S142 VanDerWaalsContact C-N 3.33Å; A140-S142 PolarHBondContact O-N 2.84Å; A140-R143 CarbonylContact O-C 3.59Å; A140-R143 WeakPolarHBondContact O-CA 3.16Å; A140-R143 WeakPolarHBondContact O-CB 2.8Å; A140-R143 PolarHBondContact O-N 2.94Å; A140-G144 PolarHBondContact O-N 2.88Å; A140-E145 HydrophobicContact CB-CB 4.01Å; A140-E145 WeakPolarHBondContact O-CB 3.13Å; A140-E145 PolarHBondContact O-N 3.38Å; A140-I148 HydrophobicContact CB-CD1 4.29Å |
| 141 | E | 90.4 | Very high | 93.2 | Very high | 101 Ų | 101 | 71.7 Ų | 71.7 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 177.4 | -70.5 | 174.6 | 114.8 | 0 | 0 | 112.3 | S137 Q138 R143 G144 A147 | S137-E141 WeakPolarHBondContact O-CG 3.41Å; S137-E141 PolarHBondContact O-N 3.06Å; Q138-E141 PolarHBondContact O-N 3.49Å; E141-R143 PolarHBondContact O-N 3.13Å; E141-R143 VanDerWaalsContact O-N 3.15Å; E141-G144 PolarHBondContact O-N 2.94Å; E141-A147 HydrophobicContact CG-CB 3.79Å; E141-A147 WeakPolarHBondContact OE1-CB 3.37Å |
| 142 | S | 87.4 | Confident | 93.2 | Very high | 73 Ų | 73 | 73.6 Ų | 73.6 | 51% | 0.51 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -21.4 | 176.5 | 75.3 | 0 | 0 | 0 | 0 | 113.8 | Q138 R139 A140 | Q138-S142 WeakPolarHBondContact O-CB 3.32Å; Q138-S142 PolarHBondContact O-N 3.39Å; R139-S142 PolarHBondContact O-N 2.88Å; R139-S142 PolarHBondContact O-OG 3Å; A140-S142 VanDerWaalsContact C-N 3.33Å; A140-S142 PolarHBondContact O-N 2.84Å |
| 143 | R | 90.6 | Very high | 93.2 | Very high | 183 Ų | 183 | 77.1 Ų | 77.1 | 69% | 0.691 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2.4 | 175.1 | -64.6 | 172.9 | -175.8 | 174.6 | -0.4 | 112.8 | R139 A140 E141 E145 | R139-R143 WeakPolarHBondContact O-CG 3.32Å; R139-R143 PolarHBondContact O-N 3.48Å; A140-R143 CarbonylContact O-C 3.59Å; A140-R143 WeakPolarHBondContact O-CA 3.16Å; A140-R143 WeakPolarHBondContact O-CB 2.8Å; A140-R143 PolarHBondContact O-N 2.94Å; E141-R143 PolarHBondContact O-N 3.13Å; E141-R143 VanDerWaalsContact O-N 3.15Å; R143-E145 VanDerWaalsContact C-N 3.29Å; R143-E145 HydrophobicContact CB-CG 4.24Å |
| 144 | G | 91.1 | Very high | 93.2 | Very high | 73 Ų | 73 | 77.8 Ų | 77.8 | 75% | 0.753 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 14.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A140 E141 | A140-G144 PolarHBondContact O-N 2.88Å; E141-G144 PolarHBondContact O-N 2.94Å |
| 145 | E | 94.3 | Very high | 93.3 | Very high | 112 Ų | 112 | 74.1 Ų | 74.1 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 167.2 | 174.1 | -59.5 | 169 | -175.3 | 0 | 0 | 110.6 | A140 R143 | A140-E145 HydrophobicContact CB-CB 4.01Å; A140-E145 WeakPolarHBondContact O-CB 3.13Å; A140-E145 PolarHBondContact O-N 3.38Å; R143-E145 VanDerWaalsContact C-N 3.29Å; R143-E145 HydrophobicContact CB-CG 4.24Å |
| 146 | K | 95.5 | Very high | 93.5 | Very high | 194 Ų | 194 | 74 Ų | 74 | 84% | 0.843 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 140.2 | 178 | -67.9 | -179.5 | -179.6 | 176.9 | 0 | 110.9 | ||
| 147 | A | 95.1 | Very high | 93.7 | Very high | 39 Ų | 39 | 78.4 Ų | 78.4 | 32% | 0.322 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 137 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S137 E141 | S137-A147 WeakPolarHBondContact OG-CA 3.33Å; S137-A147 WeakPolarHBondContact OG-CB 3.41Å; E141-A147 HydrophobicContact CG-CB 3.79Å; E141-A147 WeakPolarHBondContact OE1-CB 3.37Å |
| 148 | I | 97.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 81.6 Ų | 81.6 | 12% | 0.118 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 117.4 | 177.1 | -59.1 | 160.7 | 0 | 0 | 0 | 107.6 | D123 Y127 L133 A136 S137 A140 | D123-I148 HydrophobicContact CB-CG1 4.45Å; D123-I148 HydrophobicContact CB-CG2 4.47Å; D123-I148 WeakPolarHBondContact OD2-CD1 3.47Å; Y127-I148 HydrophobicContact CE2-CG2 4.14Å; L133-I148 HydrophobicContact CD2-CG2 4.42Å; L133-I148 WeakPolarHBondContact CD2-O 3.27Å; L133-I148 HydrophobicContact CG-CG2 4.17Å; A136-I148 HydrophobicContact CB-CD1 4.06Å; S137-I148 WeakPolarHBondContact CB-O 3.23Å; S137-I148 PolarHBondContact OG-N 3.18Å; S137-I148 PolarHBondContact OG-O 2.84Å; A140-I148 HydrophobicContact CB-CD1 4.29Å |
| 149 | T | 96.6 | Very high | 94.1 | Very high | 82 Ų | 82 | 80.5 Ų | 80.5 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 154 | 179.7 | 59.8 | 0 | 0 | 0 | 0 | 110.6 | G121 S122 V151 | G121-T149 CarbonylContact C-O 3.44Å; G121-T149 WeakPolarHBondContact CA-O 3.23Å; S122-T149 WeakPolarHBondContact CB-OG1 3.4Å; S122-T149 PolarHBondContact N-O 3.02Å; S122-T149 PolarHBondContact OG-N 3.36Å; S122-T149 PolarHBondContact OG-OG1 3.21Å; T149-V151 PolarHBondContact O-N 2.99Å |
| 150 | Q | 96.3 | Very high | 94.5 | Very high | 85 Ų | 85 | 75.4 Ų | 75.4 | 40% | 0.397 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 118.4 | 174.2 | -179.9 | 176 | -4 | 0 | 0 | 109.6 | V119 L133 S152 | V119-Q150 HydrophobicContact CB-CG 4.14Å; V119-Q150 VanDerWaalsContact CG1-NE2 3.28Å; L133-Q150 HydrophobicContact CD1-CB 4.02Å; Q150-S152 WeakPolarHBondContact CG-O 3.21Å; Q150-S152 PolarHBondContact NE2-O 2.03Å |
| 151 | V | 96.6 | Very high | 94.7 | Very high | 98 Ų | 98 | 78 Ų | 78 | 59% | 0.594 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -45.3 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | C120 T149 | C120-V151 PolarHBondContact O-N 2.95Å; T149-V151 PolarHBondContact O-N 2.99Å |
| 152 | S | 94.1 | Very high | 95.1 | Very high | 46 Ų | 46 | 75.1 Ų | 75.1 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 164.7 | -178.1 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | C120 Q150 | C120-S152 VanDerWaalsContact CB-OG 3.25Å; C120-S152 WeakPolarHBondContact CB-OG 3.22Å; C120-S152 PolarHBondContact N-O 3.48Å; Q150-S152 WeakPolarHBondContact CG-O 3.21Å; Q150-S152 PolarHBondContact NE2-O 2.03Å |
| 153 | K | 92.9 | Very high | 95.5 | Very high | 157 Ų | 157 | 75.3 Ų | 75.3 | 68% | 0.683 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 142.8 | 166.1 | -62.4 | -176.7 | -179 | 177.3 | 0 | 108.2 | Y117 | Y117-K153 HydrophobicContact CD2-CB 4.35Å; Y117-K153 HydrophobicContact CE2-CB 3.85Å; Y117-K153 HydrophobicContact CE2-CD 4.02Å; Y117-K153 HydrophobicContact CE2-CG 3.78Å |
| 154 | G | 93.4 | Very high | 95.8 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 25% | 0.247 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 92.3 | -175.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P118 V119 C120 | P118-G154 CarbonylContact C-O 3.6Å; P118-G154 CarbonylContact O-C 3.49Å; P118-G154 WeakPolarHBondContact O-CA 3.38Å; P118-G154 PolarHBondContact O-N 3.45Å; V119-G154 CarbonylContact C-O 3.51Å; V119-G154 WeakPolarHBondContact CA-O 3.23Å; V119-G154 PolarHBondContact N-O 2.9Å; C120-G154 PolarHBondContact N-O 3.38Å |
| 155 | T | 95.1 | Very high | 96.1 | Very high | 46 Ų | 46 | 68.1 Ų | 68.1 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -72.6 | 161.9 | 177.5 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | P118 T126 I186 | P118-T155 HydrophobicContact CB-CG2 3.87Å; P118-T155 HydrophobicContact CG-CG2 4.24Å; T126-T155 HydrophobicContact CG2-CG2 3.52Å; T155-I186 WeakPolarHBondContact OG1-CD1 3.45Å |
| 156 | C | 96.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 156.9 | 177 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | C120 G124 T125 T126 | C120-C156 WeakPolarHBondContact CA-SG 3.31Å; C120-C156 HydrophobicContact CB-CB 3.96Å; C120-C156 WeakPolarHBondContact CB-SG 3.2Å; C120-C156 WeakPolarHBondContact SG-CA 3.18Å; C120-C156 WeakPolarHBondContact SG-CB 3.41Å; C120-C156 CovalentContact SG-SG 2.05Å; C120-C156 PolarHBondContact SG-SG 3.04Å; G124-C156 PolarHBondContact O-SG 2.79Å; G124-C156 VanDerWaalsContact O-SG 3.37Å; T125-C156 VanDerWaalsContact C-SG 3.53Å; T125-C156 PolarHBondContact O-SG 3.35Å; T126-C156 PolarHBondContact OG1-N 2.03Å |
| 157 | E | 96.3 | Very high | 96.4 | Very high | 111 Ų | 111 | 61 Ų | 61 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 140.6 | 173.4 | -61.3 | -169.6 | 179.2 | 0 | 0 | 110.2 | I186 Q254 | E157-I186 CarbonylContact C-O 3.57Å; E157-I186 VanDerWaalsContact CA-O 3.26Å; E157-I186 WeakPolarHBondContact CA-O 3.37Å; E157-I186 WeakPolarHBondContact CB-O 3.26Å; E157-I186 HydrophobicContact CG-CG2 4.43Å; E157-Q254 HydrophobicContact CB-CG 3.7Å; E157-Q254 PolarHBondContact OE2-NE2 2.94Å |
| 158 | Q | 96.3 | Very high | 96.5 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 37% | 0.369 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 146.1 | -177.7 | 55 | 177.1 | 75.6 | 0 | 0 | 110.5 | I186 N252 | Q158-I186 HydrophobicContact CG-CB 3.95Å; Q158-I186 HydrophobicContact CG-CD1 4.27Å; Q158-I186 HydrophobicContact CG-CG1 3.91Å; Q158-I186 PolarHBondContact N-O 3.42Å; Q158-I186 PolarHBondContact O-N 3.12Å; Q158-I186 VanDerWaalsContact O-O 3.05Å; Q158-N252 PolarHBondContact O-ND2 3.32Å |
| 159 | G | 97.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 164.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 160 | P | 98.2 | Very high | 96.4 | Very high | 14 Ų | 14 | 65.5 Ų | 65.5 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 140.2 | 177.4 | -16 | 31.7 | 0 | 0 | 0 | 110.4 | V183 I184 P189 A250 N252 G255 A257 | P160-V183 HydrophobicContact CB-CG1 3.9Å; P160-I184 CarbonylContact C-O 3.59Å; P160-I184 VanDerWaalsContact CA-O 3.29Å; P160-I184 WeakPolarHBondContact CA-O 3.31Å; P160-P189 HydrophobicContact CB-CB 3.99Å; P160-P189 HydrophobicContact CB-CG 4.24Å; P160-P189 HydrophobicContact CG-CB 3.92Å; P160-A250 HydrophobicContact CB-CB 3.83Å; P160-A250 HydrophobicContact CG-CB 4.43Å; P160-N252 WeakPolarHBondContact CD-OD1 3.08Å; P160-N252 HydrophobicContact CG-CB 4.47Å; P160-G255 VanDerWaalsContact CD-O 3.23Å; P160-G255 WeakPolarHBondContact CD-O 2.99Å; P160-G255 WeakPolarHBondContact CG-O 3.48Å; P160-A257 HydrophobicContact CB-CB 4.13Å; P160-A257 WeakPolarHBondContact O-CB 3.43Å |
| 161 | S | 97.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 63.3 Ų | 63.3 | 43% | 0.427 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.1 | 174.3 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | V163 V183 I184 | S161-V163 PolarHBondContact O-N 2.88Å; S161-V183 WeakPolarHBondContact O-CA 3.41Å; S161-V183 WeakPolarHBondContact O-CG1 3.37Å; S161-I184 PolarHBondContact N-O 2.86Å; S161-I184 PolarHBondContact O-N 2.88Å |
| 162 | I | 97.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 20% | 0.2 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 110.8 | -178.7 | -60.1 | 177.9 | 0 | 0 | 0 | 107.7 | P165 V183 A257 S258 A259 | I162-P165 HydrophobicContact CG2-CB 4.01Å; I162-V183 HydrophobicContact CG1-CG2 4.2Å; I162-A257 HydrophobicContact CD1-CB 4.19Å; I162-A257 HydrophobicContact CG1-CB 4.05Å; I162-S258 WeakPolarHBondContact CD1-O 3.3Å; I162-A259 HydrophobicContact CD1-CB 3.45Å; I162-A259 VanDerWaalsContact CD1-CB 3.45Å; I162-A259 VanDerWaalsContact CD1-N 3.28Å; I162-A259 HydrophobicContact CG2-CB 4.16Å |
| 163 | V | 96.2 | Very high | 96.6 | Very high | 77 Ų | 77 | 61.9 Ų | 61.9 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -51.4 | 179.2 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | S161 E182 I184 | S161-V163 PolarHBondContact O-N 2.88Å; V163-E182 HydrophobicContact CB-CB 4.33Å; V163-E182 PolarHBondContact N-O 3.35Å; V163-I184 HydrophobicContact CG2-CB 4.2Å; V163-I184 HydrophobicContact CG2-CD1 4.02Å; V163-I184 HydrophobicContact CG2-CG1 3.74Å; V163-I184 HydrophobicContact CG2-CG2 3.65Å |
| 164 | T | 96.5 | Very high | 96.7 | Very high | 42 Ų | 42 | 56.8 Ų | 56.8 | 26% | 0.258 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 106 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 108.6 | C181 E182 | T164-C181 WeakPolarHBondContact O-CA 3.48Å; T164-E182 WeakPolarHBondContact CB-OE2 3.04Å; T164-E182 PolarHBondContact N-O 2.95Å; T164-E182 PolarHBondContact O-N 2.86Å; T164-E182 PolarHBondContact OG1-OE2 2.83Å |
| 165 | P | 98.1 | Very high | 96.8 | Very high | 63 Ų | 63 | 56.7 Ų | 56.7 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | trans | -73.5 | 157.2 | 174.5 | 31.3 | -34.7 | 0 | 0 | 0 | 110.8 | I162 A259 | I162-P165 HydrophobicContact CG2-CB 4.01Å; P165-A259 HydrophobicContact CB-CB 3.78Å | ||
| 166 | P | 98 | Very high | 96.9 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | trans | -64.1 | 154.4 | 171.5 | 28 | -32.7 | 0 | 0 | 0 | 111.4 | L179 S180 W193 A261 | P166-L179 HydrophobicContact CB-CB 4.35Å; P166-L179 HydrophobicContact CB-CD2 4.37Å; P166-S180 WeakPolarHBondContact CA-O 3.34Å; P166-W193 HydrophobicContact CB-CH2 3.84Å; P166-W193 HydrophobicContact CB-CZ3 4.27Å; P166-W193 HydrophobicContact CG-CH2 3.99Å; P166-W193 HydrophobicContact CG-CZ3 4.13Å; P166-A261 HydrophobicContact CB-CB 3.58Å; P166-A261 HydrophobicContact CG-CB 3.82Å | ||
| 167 | K | 97.8 | Very high | 97 | Very high | 148 Ų | 148 | 60.5 Ų | 60.5 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | trans | -113.9 | 145.5 | -177.6 | -64.8 | 179.8 | -178.9 | 176 | 0 | 110.2 | L179 | K167-L179 WeakPolarHBondContact O-CD2 2.95Š| ||
| 168 | D | 97.3 | Very high | 97 | Very high | 99 Ų | 99 | 62.6 Ų | 62.6 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | trans | -59.3 | 139.8 | 174.1 | -68.4 | -7 | 0 | 0 | 0 | 111.5 | A261 K262 | D168-A261 WeakPolarHBondContact OD1-CA 3.46Å; D168-K262 VanDerWaalsContact CA-O 3.32Å; D168-K262 WeakPolarHBondContact CA-O 3.3Å; D168-K262 PolarHBondContact OD1-N 2.9Å | ||
| 169 | I | 96.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.185 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.5 | -178.5 | -62.6 | 175.9 | 0 | 0 | 0 | 109.4 | N171 V177 Y178 L179 K262 T264 | I169-N171 HydrophobicContact CG2-CB 4.44Å; I169-V177 HydrophobicContact CD1-CB 4.31Å; I169-V177 HydrophobicContact CG2-CB 4.24Å; I169-V177 HydrophobicContact CG2-CG1 3.84Å; I169-Y178 WeakPolarHBondContact CD1-O 3.21Å; I169-L179 HydrophobicContact CD1-CD2 3.68Å; I169-L179 HydrophobicContact CD1-CG 4.45Å; I169-L179 HydrophobicContact CG1-CD2 4.23Å; I169-K262 PolarHBondContact N-O 2.83Å; I169-T264 PolarHBondContact O-N 2.83Å |
| 170 | W | 96.4 | Very high | 97.1 | Very high | 104 Ų | 104 | 59.1 Ų | 59.1 | 39% | 0.394 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 122.9 | 171.3 | -72.8 | 64.2 | 0 | 0 | 0 | 107.9 | T264 V266 I272 P273 | W170-T264 WeakPolarHBondContact CA-O 3.39Å; W170-T264 HydrophobicContact CD2-CG2 3.85Å; W170-T264 HydrophobicContact CE3-CG2 3.72Å; W170-T264 HydrophobicContact CH2-CG2 4.08Å; W170-T264 HydrophobicContact CZ2-CG2 4.16Å; W170-T264 HydrophobicContact CZ3-CG2 3.85Å; W170-V266 HydrophobicContact CE3-CG1 3.61Å; W170-V266 HydrophobicContact CZ3-CG1 3.84Å; W170-I272 HydrophobicContact CB-CB 4.48Å; W170-I272 HydrophobicContact CB-CG1 4.29Å; W170-I272 HydrophobicContact CB-CG2 3.91Å; W170-P273 HydrophobicContact CD2-CG 3.83Å; W170-P273 HydrophobicContact CE3-CG 3.96Å; W170-P273 HydrophobicContact CG-CG 4.45Å; W170-P273 HydrophobicContact CH2-CG 3.92Å; W170-P273 HydrophobicContact CZ2-CG 3.82Å; W170-P273 HydrophobicContact CZ3-CG 4Å |
| 171 | N | 96.7 | Very high | 97.1 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 21% | 0.214 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 175.5 | 178.5 | -147.5 | -25.3 | 0 | 0 | 0 | 111.1 | I169 A175 V177 L238 T264 V265 V266 | I169-N171 HydrophobicContact CG2-CB 4.44Å; N171-A175 HydrophobicContact CB-CB 4.3Å; N171-A175 VanDerWaalsContact CG-CB 3.42Å; N171-A175 WeakPolarHBondContact ND2-CB 3.35Å; N171-A175 WeakPolarHBondContact OD1-CB 3Å; N171-V177 HydrophobicContact CB-CG1 3.91Å; N171-V177 WeakPolarHBondContact ND2-CG1 3.34Å; N171-L238 HydrophobicContact CB-CD2 3.81Å; N171-T264 PolarHBondContact N-O 3.31Å; N171-V265 CarbonylContact O-C 3.56Å; N171-V265 VanDerWaalsContact O-CA 3.27Å; N171-V265 WeakPolarHBondContact O-CA 3.05Å; N171-V266 PolarHBondContact O-N 2.69Å |
| 172 | V | 96.2 | Very high | 97.1 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 19% | 0.194 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 163.3 | 179.8 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | A175 V266 L269 | V172-A175 VanDerWaalsContact O-CB 3.26Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 3.16Å; V172-V266 WeakPolarHBondContact CA-O 3Å; V172-V266 HydrophobicContact CG1-CG2 3.94Å; V172-L269 HydrophobicContact CG1-CD2 3.9Å; V172-L269 HydrophobicContact CG1-CG 4.23Å; V172-L269 HydrophobicContact CG2-CD2 4.11Å |
| 173 | T | 96.8 | Very high | 97.1 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 141.3 | 174.8 | -58.7 | 0 | 0 | 0 | 0 | 111 | A175 L238 | T173-A175 VanDerWaalsContact C-N 3.3Å; T173-A175 PolarHBondContact O-N 3.29Å; T173-L238 CarbonylContact C-O 3.49Å; T173-L238 WeakPolarHBondContact CA-O 2.96Å; T173-L238 WeakPolarHBondContact CG2-O 3.25Å |
| 174 | G | 95.4 | Very high | 97.1 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -13 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L238 | G174-L238 PolarHBondContact N-O 3.03Š|
| 175 | A | 96.4 | Very high | 97.1 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | trans | -69.7 | 165.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N171 V172 T173 L238 | N171-A175 HydrophobicContact CB-CB 4.3Å; N171-A175 VanDerWaalsContact CG-CB 3.42Å; N171-A175 WeakPolarHBondContact ND2-CB 3.35Å; N171-A175 WeakPolarHBondContact OD1-CB 3Å; V172-A175 VanDerWaalsContact O-CB 3.26Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 3.16Å; T173-A175 VanDerWaalsContact C-N 3.3Å; T173-A175 PolarHBondContact O-N 3.29Å; A175-L238 VanDerWaalsContact O-CB 3.22Å; A175-L238 WeakPolarHBondContact O-CB 3Å; A175-L238 PolarHBondContact O-N 2.98Å | ||
| 176 | Q | 97.3 | Very high | 97.1 | Very high | 130 Ų | 130 | 51.3 Ų | 51.3 | 61% | 0.607 | 26% | 0.264 | S | S | * | . | trans | -107 | 130.6 | 168.5 | 177.3 | 172.3 | 94.5 | 0 | 0 | 109.1 | L234 V235 S236 | Q176-L234 HydrophobicContact CG-CD1 3.62Å; Q176-V235 WeakPolarHBondContact CA-O 3.15Å; Q176-S236 PolarHBondContact NE2-OG 3.38Å | ||
| 177 | V | 97.4 | Very high | 97 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.4 | 179.5 | -61.8 | 0 | 0 | 0 | 0 | 111 | I169 N171 V235 L238 I263 | I169-V177 HydrophobicContact CD1-CB 4.31Å; I169-V177 HydrophobicContact CG2-CB 4.24Å; I169-V177 HydrophobicContact CG2-CG1 3.84Å; N171-V177 HydrophobicContact CB-CG1 3.91Å; N171-V177 WeakPolarHBondContact ND2-CG1 3.34Å; V177-V235 HydrophobicContact CG2-CB 3.91Å; V177-V235 HydrophobicContact CG2-CG2 4.43Å; V177-V235 PolarHBondContact N-O 3.36Å; V177-V235 PolarHBondContact O-N 3.19Å; V177-L238 HydrophobicContact CG1-CD2 4.11Å; V177-L238 HydrophobicContact CG2-CD1 3.94Å; V177-L238 HydrophobicContact CG2-CD2 4.39Å; V177-I263 HydrophobicContact CG2-CD1 4.36Å |
| 178 | Y | 96.9 | Very high | 96.9 | Very high | 155 Ų | 155 | 49.9 Ų | 49.9 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142 | 173.3 | 66.6 | -88 | 0 | 0 | 0 | 112.6 | I169 V233 | I169-Y178 WeakPolarHBondContact CD1-O 3.21Å; Y178-V233 CarbonylContact C-O 3.56Å; Y178-V233 WeakPolarHBondContact CA-O 3.46Å |
| 179 | L | 98.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 147.2 | 164.8 | -60.9 | 171.4 | 0 | 0 | 0 | 108.8 | P166 K167 I169 W193 W232 V233 Y246 A261 I263 | P166-L179 HydrophobicContact CB-CB 4.35Å; P166-L179 HydrophobicContact CB-CD2 4.37Å; K167-L179 WeakPolarHBondContact O-CD2 2.95Å; I169-L179 HydrophobicContact CD1-CD2 3.68Å; I169-L179 HydrophobicContact CD1-CG 4.45Å; I169-L179 HydrophobicContact CG1-CD2 4.23Å; L179-W193 HydrophobicContact CB-CH2 3.81Å; L179-W193 HydrophobicContact CB-CZ2 4.47Å; L179-W193 HydrophobicContact CB-CZ3 4.16Å; L179-W193 HydrophobicContact CD1-CZ3 4.2Å; L179-W232 CarbonylContact O-C 3.04Å; L179-W232 WeakPolarHBondContact O-CA 3.35Å; L179-V233 HydrophobicContact CB-CB 4.28Å; L179-V233 PolarHBondContact N-O 3.45Å; L179-V233 PolarHBondContact O-N 3.19Å; L179-Y246 HydrophobicContact CD1-CD1 3.99Å; L179-Y246 HydrophobicContact CD1-CD2 4.15Å; L179-Y246 HydrophobicContact CD1-CG 3.58Å; L179-A261 HydrophobicContact CD2-CB 4.06Å; L179-I263 HydrophobicContact CD1-CD1 3.93Å; L179-I263 HydrophobicContact CD1-CG1 4.3Å; L179-I263 HydrophobicContact CD2-CG1 4.35Å; L179-I263 HydrophobicContact CG-CD1 4.17Å; L179-I263 HydrophobicContact CG-CG1 4.5Å |
| 180 | S | 97.6 | Very high | 97 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.9 | 175.9 | 60 | 0 | 0 | 0 | 0 | 110.2 | P166 G231 | P166-S180 WeakPolarHBondContact CA-O 3.34Å; S180-G231 CarbonylContact C-O 3.54Å; S180-G231 WeakPolarHBondContact CA-O 3.39Å |
| 181 | C | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 121.7 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | T164 W193 T230 G231 C248 | T164-C181 WeakPolarHBondContact O-CA 3.48Å; C181-W193 HydrophobicContact CB-CH2 3.67Å; C181-W193 HydrophobicContact CB-CZ2 3.42Å; C181-W193 VanDerWaalsContact CB-CZ2 3.42Å; C181-T230 WeakPolarHBondContact O-CA 3.22Å; C181-G231 PolarHBondContact N-O 2.85Å; C181-G231 PolarHBondContact O-N 3.29Å; C181-C248 HydrophobicContact CB-CB 3.42Å; C181-C248 VanDerWaalsContact CB-CB 3.42Å; C181-C248 WeakPolarHBondContact CB-SG 3.47Å; C181-C248 WeakPolarHBondContact SG-CB 3.01Å; C181-C248 CovalentContact SG-SG 2.05Å; C181-C248 PolarHBondContact SG-SG 3.18Å |
| 182 | E | 97.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.7 | 179.7 | -65.8 | 169 | 177.9 | 0 | 0 | 109.1 | V163 T164 T230 | V163-E182 HydrophobicContact CB-CB 4.33Å; V163-E182 PolarHBondContact N-O 3.35Å; T164-E182 WeakPolarHBondContact CB-OE2 3.04Å; T164-E182 PolarHBondContact N-O 2.95Å; T164-E182 PolarHBondContact O-N 2.86Å; T164-E182 PolarHBondContact OG1-OE2 2.83Å; E182-T230 HydrophobicContact CG-CG2 3.54Å |
| 183 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136 | -174 | -167.9 | 0 | 0 | 0 | 0 | 110 | P160 S161 I162 P189 L191 E228 V229 A250 | P160-V183 HydrophobicContact CB-CG1 3.9Å; S161-V183 WeakPolarHBondContact O-CA 3.41Å; S161-V183 WeakPolarHBondContact O-CG1 3.37Å; I162-V183 HydrophobicContact CG1-CG2 4.2Å; V183-P189 HydrophobicContact CB-CG 4.32Å; V183-P189 HydrophobicContact CG1-CG 3.82Å; V183-L191 HydrophobicContact CG2-CD1 3.82Å; V183-E228 CarbonylContact O-C 3.43Å; V183-E228 WeakPolarHBondContact O-CA 3.04Å; V183-V229 HydrophobicContact CB-CG1 4.07Å; V183-V229 PolarHBondContact N-O 3.13Å; V183-V229 PolarHBondContact O-N 2.99Å; V183-A250 HydrophobicContact CB-CB 4.25Å; V183-A250 HydrophobicContact CG1-CB 3.61Å; V183-A250 HydrophobicContact CG2-CB 4.06Å |
| 184 | I | 97.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 152.8 | 170.5 | 60.8 | 172.8 | 0 | 0 | 0 | 110 | P160 S161 V163 H227 E228 | P160-I184 CarbonylContact C-O 3.59Å; P160-I184 VanDerWaalsContact CA-O 3.29Å; P160-I184 WeakPolarHBondContact CA-O 3.31Å; S161-I184 PolarHBondContact N-O 2.86Å; S161-I184 PolarHBondContact O-N 2.88Å; V163-I184 HydrophobicContact CG2-CB 4.2Å; V163-I184 HydrophobicContact CG2-CD1 4.02Å; V163-I184 HydrophobicContact CG2-CG1 3.74Å; V163-I184 HydrophobicContact CG2-CG2 3.65Å; I184-H227 WeakPolarHBondContact CA-O 3.05Å; I184-E228 HydrophobicContact CG2-CB 4.03Å; I184-E228 HydrophobicContact CG2-CG 3.91Å |
| 185 | G | 96.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.7 | 151.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P187 T188 H227 | G185-P187 CarbonylContact C-O 3.5Å; G185-P187 CarbonylContact O-C 3.46Å; G185-T188 VanDerWaalsContact O-CA 3.23Å; G185-T188 WeakPolarHBondContact O-CA 3.31Å; G185-T188 PolarHBondContact O-N 3.23Å; G185-H227 PolarHBondContact N-O 2.7Å; G185-H227 WeakPolarHBondContact O-CB 3.36Å |
| 186 | I | 96.4 | Very high | 97 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 113.2 | -174.6 | -55.3 | -178.4 | 0 | 0 | 0 | 109.2 | T155 E157 Q158 H227 N252 | T155-I186 WeakPolarHBondContact OG1-CD1 3.45Å; E157-I186 CarbonylContact C-O 3.57Å; E157-I186 VanDerWaalsContact CA-O 3.26Å; E157-I186 WeakPolarHBondContact CA-O 3.37Å; E157-I186 WeakPolarHBondContact CB-O 3.26Å; E157-I186 HydrophobicContact CG-CG2 4.43Å; Q158-I186 HydrophobicContact CG-CB 3.95Å; Q158-I186 HydrophobicContact CG-CD1 4.27Å; Q158-I186 HydrophobicContact CG-CG1 3.91Å; Q158-I186 PolarHBondContact N-O 3.42Å; Q158-I186 PolarHBondContact O-N 3.12Å; Q158-I186 VanDerWaalsContact O-O 3.05Å; I186-H227 HydrophobicContact CD1-CB 4.43Å; I186-H227 HydrophobicContact CG1-CB 3.76Å; I186-N252 PolarHBondContact N-ND2 2.89Å |
| 187 | P | 95.9 | Very high | 96.4 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | S | Bend | cis | -63.9 | 161.5 | -1.3 | -21.7 | 34.4 | 0 | 0 | 0 | 113.9 | G185 N252 S253 | G185-P187 CarbonylContact C-O 3.5Å; G185-P187 CarbonylContact O-C 3.46Å; P187-N252 WeakPolarHBondContact O-CB 3.43Å; P187-N252 PolarHBondContact O-ND2 2.98Å; P187-S253 VanDerWaalsContact CD-OG 3.31Å; P187-S253 WeakPolarHBondContact CD-OG 3.39Å |
| 188 | T | 96.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 42% | 0.423 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -50.2 | 122.9 | -179.7 | -49.3 | 0 | 0 | 0 | 0 | 110 | G185 H227 V229 | G185-T188 VanDerWaalsContact O-CA 3.23Å; G185-T188 WeakPolarHBondContact O-CA 3.31Å; G185-T188 PolarHBondContact O-N 3.23Å; T188-H227 WeakPolarHBondContact OG1-CA 3.3Å; T188-H227 PolarHBondContact OG1-ND1 3.42Å; T188-V229 HydrophobicContact CG2-CB 4.31Å |
| 189 | P | 97.7 | Very high | 94.1 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -73 | 151.1 | -172.5 | 28 | -32.7 | 0 | 0 | 0 | 112.1 | P160 V183 V229 A250 S251 N252 | P160-P189 HydrophobicContact CB-CB 3.99Å; P160-P189 HydrophobicContact CB-CG 4.24Å; P160-P189 HydrophobicContact CG-CB 3.92Å; V183-P189 HydrophobicContact CB-CG 4.32Å; V183-P189 HydrophobicContact CG1-CG 3.82Å; P189-V229 HydrophobicContact CG-CG1 3.91Å; P189-A250 HydrophobicContact CB-CB 4.25Å; P189-S251 CarbonylContact C-O 3.02Å; P189-S251 VanDerWaalsContact CA-O 3.32Å; P189-S251 WeakPolarHBondContact CA-O 3.45Å; P189-N252 HydrophobicContact CB-CB 4.28Å |
| 190 | V | 97.1 | Very high | 92.6 | Very high | 102 Ų | 102 | 49.8 Ų | 49.8 | 62% | 0.618 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 123.6 | 166.4 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | I192 A250 S251 | V190-I192 HydrophobicContact CG1-CG2 4.23Å; V190-A250 VanDerWaalsContact O-CA 3.31Å; V190-A250 WeakPolarHBondContact O-CA 3.44Å; V190-S251 PolarHBondContact N-O 2.96Å; V190-S251 PolarHBondContact O-N 2.8Å |
| 191 | L | 97.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.1 | 179.2 | -175.3 | 63.5 | 0 | 0 | 0 | 110.1 | V183 T220 V229 G231 C248 A250 | V183-L191 HydrophobicContact CG2-CD1 3.82Å; L191-T220 HydrophobicContact CB-CG2 4.47Å; L191-V229 HydrophobicContact CB-CG1 4.05Å; L191-V229 HydrophobicContact CB-CG2 4.22Å; L191-V229 HydrophobicContact CD2-CG1 4.4Å; L191-V229 HydrophobicContact CD2-CG2 4.46Å; L191-G231 VanDerWaalsContact CD2-CA 3.49Å; L191-C248 HydrophobicContact CD1-CB 4.08Å; L191-A250 HydrophobicContact CD1-CB 4.07Å |
| 192 | I | 97.5 | Very high | 89.9 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 155.4 | 174.9 | 62.9 | 170.7 | 0 | 0 | 0 | 110 | V190 L208 H249 | V190-I192 HydrophobicContact CG1-CG2 4.23Å; I192-L208 HydrophobicContact CB-CD1 4.1Å; I192-L208 HydrophobicContact CD1-CD1 4.21Å; I192-H249 HydrophobicContact CD1-CB 4.32Å; I192-H249 HydrophobicContact CG1-CB 3.87Å; I192-H249 VanDerWaalsContact CG1-O 3.31Å; I192-H249 WeakPolarHBondContact CG1-O 3.41Å; I192-H249 PolarHBondContact N-O 3Å; I192-H249 PolarHBondContact O-N 2.89Å |
| 193 | W | 98.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.1 | 174.6 | -75.2 | 95.2 | 0 | 0 | 0 | 110.2 | P166 L179 C181 L209 I218 V233 E247 C248 | P166-W193 HydrophobicContact CB-CH2 3.84Å; P166-W193 HydrophobicContact CB-CZ3 4.27Å; P166-W193 HydrophobicContact CG-CH2 3.99Å; P166-W193 HydrophobicContact CG-CZ3 4.13Å; L179-W193 HydrophobicContact CB-CH2 3.81Å; L179-W193 HydrophobicContact CB-CZ2 4.47Å; L179-W193 HydrophobicContact CB-CZ3 4.16Å; L179-W193 HydrophobicContact CD1-CZ3 4.2Å; C181-W193 HydrophobicContact CB-CH2 3.67Å; C181-W193 HydrophobicContact CB-CZ2 3.42Å; C181-W193 VanDerWaalsContact CB-CZ2 3.42Å; W193-L209 HydrophobicContact CB-CB 4.2Å; W193-L209 HydrophobicContact CB-CD1 4.12Å; W193-L209 WeakPolarHBondContact O-CB 3.01Å; W193-L209 PolarHBondContact O-N 2.76Å; W193-I218 HydrophobicContact CB-CD1 3.77Å; W193-I218 HydrophobicContact CG-CD1 4.32Å; W193-V233 HydrophobicContact CB-CG2 3.9Å; W193-V233 HydrophobicContact CD2-CG2 3.28Å; W193-V233 HydrophobicContact CE3-CG2 3.69Å; W193-V233 HydrophobicContact CG-CG2 3.39Å; W193-V233 HydrophobicContact CZ2-CG2 4.21Å; W193-V233 HydrophobicContact CZ3-CG2 4.29Å; W193-E247 CarbonylContact C-O 3.56Å; W193-E247 WeakPolarHBondContact CA-O 3.36Å; W193-C248 HydrophobicContact CD2-CB 4Å; W193-C248 HydrophobicContact CE3-CB 3.87Å; W193-C248 HydrophobicContact CH2-CB 3.8Å; W193-C248 HydrophobicContact CZ2-CB 3.92Å; W193-C248 HydrophobicContact CZ3-CB 3.77Å |
| 194 | N | 97.1 | Very high | 87.8 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.9 | 177.5 | -61.1 | -45.6 | 0 | 0 | 0 | 110 | T206 E207 Y246 E247 | N194-T206 HydrophobicContact CB-CG2 4.1Å; N194-E207 CarbonylContact C-O 3.15Å; N194-E207 VanDerWaalsContact CA-O 3.22Å; N194-E207 WeakPolarHBondContact CA-O 3.12Å; N194-Y246 CarbonylContact O-C 3.59Å; N194-Y246 WeakPolarHBondContact O-CA 3.46Å; N194-E247 HydrophobicContact CB-CB 4.43Å; N194-E247 PolarHBondContact N-O 3.13Å; N194-E247 PolarHBondContact ND2-OE1 2.88Å; N194-E247 PolarHBondContact O-N 3.29Å |
| 195 | K | 95.1 | Very high | 87.2 | Confident | 9 Ų | 9 | 76.1 Ų | 76.1 | 4% | 0.039 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.5 | 162.6 | -171.2 | 165.4 | -176.8 | 159.6 | 0 | 108.9 | K197 E207 L209 D241 D242 A243 Y246 | K195-K197 PolarHBondContact O-N 3.48Å; K195-E207 PolarHBondContact N-O 2.93Å; K195-E207 PolarHBondContact O-N 2.82Å; K195-L209 HydrophobicContact CB-CD1 4.28Å; K195-L209 HydrophobicContact CB-CD2 4.08Å; K195-L209 HydrophobicContact CB-CG 4.27Å; K195-D241 PolarHBondContact NZ-O 3.37Å; K195-D242 VanDerWaalsContact NZ-CA 3.31Å; K195-D242 PolarHBondContact NZ-O 2.54Å; K195-A243 WeakPolarHBondContact CE-O 3.28Å; K195-A243 PolarHBondContact NZ-O 3.5Å; K195-Y246 HydrophobicContact CD-CE1 4.3Å; K195-Y246 HydrophobicContact CD-CE2 4.42Å; K195-Y246 HydrophobicContact CG-CE1 4.49Å; K195-Y246 PolarHBondContact NZ-OH 2.86Å; K195-Y246 VanDerWaalsContact NZ-OH 3.17Å |
| 196 | V | 92.8 | Very high | 86.9 | Confident | 16 Ų | 16 | 80.1 Ų | 80.1 | 10% | 0.097 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 116.3 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | T206 E245 E247 | V196-T206 HydrophobicContact CG2-CG2 4.49Å; V196-E245 HydrophobicContact CB-CB 4.06Å; V196-E245 HydrophobicContact CB-CG 4.19Å; V196-E245 HydrophobicContact CG2-CB 4.44Å; V196-E245 HydrophobicContact CG2-CG 4.08Å; V196-E245 PolarHBondContact N-O 3.08Å; V196-E247 HydrophobicContact CG2-CB 4.04Å |
| 197 | K | 84.7 | Confident | 86.7 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.2 | 174.2 | -73.5 | -176.7 | 165.8 | 174.7 | 0 | 109.5 | K195 G199 R205 E207 | K195-K197 PolarHBondContact O-N 3.48Å; K197-G199 PolarHBondContact O-N 2.92Å; K197-R205 PolarHBondContact N-O 3.37Å; K197-R205 PolarHBondContact O-N 2.94Å; K197-R205 VanDerWaalsContact O-O 3.14Å; K197-E207 WeakPolarHBondContact CD-OE2 3.34Å; K197-E207 WeakPolarHBondContact CE-OE2 3.45Å; K197-E207 IonicContact NZ-OE2 2.62Å; K197-E207 PolarHBondContact NZ-OE2 2.75Å |
| 198 | R | 76.9 | Confident | 86.7 | Confident | 211 Ų | 211 | 83.7 Ų | 83.7 | 80% | 0.796 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 115.5 | 168.7 | -66.9 | -174.5 | -173.1 | -168.5 | 0.3 | 108.5 | ||
| 199 | G | 70.3 | Confident | 86.7 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 27% | 0.268 | 40% | 0.401 | S | S | . | . | trans | -69.6 | 162 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K197 Y201 G202 V203 | K197-G199 PolarHBondContact O-N 2.92Å; G199-Y201 PolarHBondContact O-N 3.45Å; G199-G202 PolarHBondContact O-N 3.1Å; G199-V203 WeakPolarHBondContact CA-O 3.47Å; G199-V203 PolarHBondContact N-O 2.9Å | ||
| 200 | H | 66.6 | Low | 86.6 | Confident | 199 Ų | 199 | 83.2 Ų | 83.2 | 92% | 0.921 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -18.2 | -179.8 | -87.5 | -89.5 | 0 | 0 | 0 | 115.1 | ||
| 201 | Y | 71.6 | Confident | 86.3 | Confident | 219 Ų | 219 | 80.8 Ų | 80.8 | 86% | 0.859 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 18.5 | 179.1 | -68.3 | -79.5 | 0 | 0 | 0 | 113.4 | G199 V203 | G199-Y201 PolarHBondContact O-N 3.45Å; Y201-V203 PolarHBondContact O-N 3.01Å |
| 202 | G | 67.8 | Low | 85.9 | Confident | 65 Ų | 65 | 87.3 Ų | 87.3 | 67% | 0.67 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 76.1 | 0 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G199 Q204 | G199-G202 PolarHBondContact O-N 3.1Å; G202-Q204 PolarHBondContact O-N 2.89Å |
| 203 | V | 74.4 | Confident | 85.7 | Confident | 93 Ų | 93 | 86.5 Ų | 86.5 | 56% | 0.564 | 44% | 0.44 | S | S | * | . | trans | -70.2 | 119.5 | 171.1 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | G199 Y201 R205 | G199-V203 WeakPolarHBondContact CA-O 3.47Å; G199-V203 PolarHBondContact N-O 2.9Å; Y201-V203 PolarHBondContact O-N 3.01Å; V203-R205 HydrophobicContact CG1-CG 4.44Å; V203-R205 PolarHBondContact O-N 3.04Å | ||
| 204 | Q | 76.3 | Confident | 85.5 | Confident | 137 Ų | 137 | 94.1 Ų | 94.1 | 64% | 0.64 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125.6 | 170.7 | -66.1 | -171.2 | 52.7 | 0 | 0 | 109 | G202 | G202-Q204 PolarHBondContact O-N 2.89Å |
| 205 | R | 85.1 | Confident | 85.5 | Confident | 181 Ų | 181 | 94.6 Ų | 94.6 | 68% | 0.683 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.7 | 171.5 | -65.8 | -178.1 | 83.9 | 140.7 | 1.3 | 108.1 | K197 V203 | K197-R205 PolarHBondContact N-O 3.37Å; K197-R205 PolarHBondContact O-N 2.94Å; K197-R205 VanDerWaalsContact O-O 3.14Å; V203-R205 HydrophobicContact CG1-CG 4.44Å; V203-R205 PolarHBondContact O-N 3.04Å |
| 206 | T | 90 | Very high | 85.6 | Confident | 86 Ų | 86 | 94.8 Ų | 94.8 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 138.6 | 170.8 | 45.7 | 0 | 0 | 0 | 0 | 109.4 | N194 V196 | N194-T206 HydrophobicContact CB-CG2 4.1Å; V196-T206 HydrophobicContact CG2-CG2 4.49Å |
| 207 | E | 92.6 | Very high | 85.8 | Confident | 43 Ų | 43 | 96.4 Ų | 96.4 | 20% | 0.201 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.8 | 172.1 | -174.1 | -170 | 148.5 | 0 | 0 | 108.7 | N194 K195 K197 L209 R213 | N194-E207 CarbonylContact C-O 3.15Å; N194-E207 VanDerWaalsContact CA-O 3.22Å; N194-E207 WeakPolarHBondContact CA-O 3.12Å; K195-E207 PolarHBondContact N-O 2.93Å; K195-E207 PolarHBondContact O-N 2.82Å; K197-E207 WeakPolarHBondContact CD-OE2 3.34Å; K197-E207 WeakPolarHBondContact CE-OE2 3.45Å; K197-E207 IonicContact NZ-OE2 2.62Å; K197-E207 PolarHBondContact NZ-OE2 2.75Å; E207-L209 PolarHBondContact O-N 2.95Å; E207-R213 VanDerWaalsContact CD-NH2 3.27Å; E207-R213 IonicContact OE1-CZ 2.68Å; E207-R213 VanDerWaalsContact OE1-CZ 3.23Å; E207-R213 IonicContact OE1-NH1 3.45Å; E207-R213 PolarHBondContact OE1-NH1 2.92Å; E207-R213 IonicContact OE1-NH2 2.7Å; E207-R213 PolarHBondContact OE1-NH2 3.3Å; E207-R213 IonicContact OE2-NH2 3.23Å; E207-R213 PolarHBondContact OE2-NH2 2.87Å |
| 208 | L | 95.2 | Very high | 86.5 | Confident | 107 Ų | 107 | 94.2 Ų | 94.2 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 126.9 | 179.1 | -175.1 | 68.6 | 0 | 0 | 0 | 110.2 | I192 G211 | I192-L208 HydrophobicContact CB-CD1 4.1Å; I192-L208 HydrophobicContact CD1-CD1 4.21Å; L208-G211 PolarHBondContact O-N 2.81Å |
| 209 | L | 96.3 | Very high | 87.4 | Confident | 11 Ų | 11 | 88.6 Ų | 88.6 | 6% | 0.058 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -88.9 | 153.1 | 177.3 | -67.6 | 173.3 | 0 | 0 | 0 | 111.2 | W193 K195 E207 L216 I218 Y246 | W193-L209 HydrophobicContact CB-CB 4.2Å; W193-L209 HydrophobicContact CB-CD1 4.12Å; W193-L209 WeakPolarHBondContact O-CB 3.01Å; W193-L209 PolarHBondContact O-N 2.76Å; K195-L209 HydrophobicContact CB-CD1 4.28Å; K195-L209 HydrophobicContact CB-CD2 4.08Å; K195-L209 HydrophobicContact CB-CG 4.27Å; E207-L209 PolarHBondContact O-N 2.95Å; L209-L216 HydrophobicContact CB-CD2 4.49Å; L209-L216 HydrophobicContact CD2-CD1 4.04Å; L209-L216 HydrophobicContact CD2-CD2 4.5Å; L209-I218 VanDerWaalsContact C-CD1 3.46Å; L209-I218 HydrophobicContact CB-CD1 3.47Å; L209-I218 VanDerWaalsContact CB-CD1 3.47Å; L209-I218 WeakPolarHBondContact O-CD1 3.33Å; L209-Y246 HydrophobicContact CD1-CD1 3.56Å; L209-Y246 HydrophobicContact CD1-CE1 3.75Å |
| 210 | P | 95.4 | Very high | 88.6 | Confident | 54 Ų | 54 | 90.4 Ų | 90.4 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | S | Bend | cis | -77.5 | -18.7 | 4.2 | 31.8 | -35.6 | 0 | 0 | 0 | 114.8 | R213 L216 | P210-R213 PolarHBondContact O-NH1 2.75Å; P210-R213 VanDerWaalsContact O-NH1 3.11Å; P210-L216 HydrophobicContact CB-CD2 3.48Å; P210-L216 VanDerWaalsContact CB-CD2 3.48Å |
| 211 | G | 90.6 | Very high | 90 | Very high | 52 Ų | 52 | 87.9 Ų | 87.9 | 54% | 0.536 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | -135.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L208 | L208-G211 PolarHBondContact O-N 2.81Š|
| 212 | D | 90.4 | Very high | 91 | Very high | 149 Ų | 149 | 80.4 Ų | 80.4 | 80% | 0.797 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 9.7 | 178.8 | 60.6 | -19.8 | 0 | 0 | 0 | 113.8 | ||
| 213 | R | 92.9 | Very high | 91.7 | Very high | 45 Ų | 45 | 78.3 Ų | 78.3 | 17% | 0.17 | 43% | 0.432 | C | S | . | . | trans | -72 | 130 | -179.5 | -65.1 | 174.8 | -176.6 | 71.9 | 9.6 | 111.2 | E207 P210 L216 | E207-R213 VanDerWaalsContact CD-NH2 3.27Å; E207-R213 IonicContact OE1-CZ 2.68Å; E207-R213 VanDerWaalsContact OE1-CZ 3.23Å; E207-R213 IonicContact OE1-NH1 3.45Å; E207-R213 PolarHBondContact OE1-NH1 2.92Å; E207-R213 IonicContact OE1-NH2 2.7Å; E207-R213 PolarHBondContact OE1-NH2 3.3Å; E207-R213 IonicContact OE2-NH2 3.23Å; E207-R213 PolarHBondContact OE2-NH2 2.87Å; P210-R213 PolarHBondContact O-NH1 2.75Å; P210-R213 VanDerWaalsContact O-NH1 3.11Å; R213-L216 HydrophobicContact CB-CB 3.92Å | ||
| 214 | D | 94.1 | Very high | 92 | Very high | 161 Ų | 161 | 79.8 Ų | 79.8 | 86% | 0.861 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -85.6 | -26.9 | 178.4 | 61.6 | -13 | 0 | 0 | 0 | 113.1 | ||
| 215 | N | 96.8 | Very high | 92.5 | Very high | 21 Ų | 21 | 79.8 Ų | 79.8 | 11% | 0.112 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -92 | 7.3 | -178.4 | 74.6 | -34.8 | 0 | 0 | 0 | 114.1 | V235 S236 P237 D242 | N215-V235 CarbonylContact O-C 3.53Å; N215-V235 WeakPolarHBondContact O-CA 3.5Å; N215-S236 PolarHBondContact O-N 2.99Å; N215-P237 PolarHBondContact ND2-O 3.28Å; N215-D242 PolarHBondContact ND2-OD1 3.2Å; N215-D242 PolarHBondContact ND2-OD2 2.79Å |
| 216 | L | 97.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 79.9 Ų | 79.9 | 7% | 0.068 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.1 | -173.6 | -169.6 | 155 | 0 | 0 | 0 | 111.9 | L209 P210 R213 I218 V233 L234 V235 Y246 | L209-L216 HydrophobicContact CB-CD2 4.49Å; L209-L216 HydrophobicContact CD2-CD1 4.04Å; L209-L216 HydrophobicContact CD2-CD2 4.5Å; P210-L216 HydrophobicContact CB-CD2 3.48Å; P210-L216 VanDerWaalsContact CB-CD2 3.48Å; R213-L216 HydrophobicContact CB-CB 3.92Å; L216-I218 HydrophobicContact CD2-CG1 4.12Å; L216-V233 HydrophobicContact CD1-CG1 3.9Å; L216-V233 HydrophobicContact CD2-CG1 4.05Å; L216-V233 HydrophobicContact CG-CG1 3.93Å; L216-L234 CarbonylContact C-O 3.52Å; L216-L234 VanDerWaalsContact CA-O 3.32Å; L216-L234 WeakPolarHBondContact CA-O 3.29Å; L216-V235 HydrophobicContact CD1-CG2 3.95Å; L216-V235 HydrophobicContact CG-CG2 4.18Å; L216-Y246 HydrophobicContact CD1-CE1 4.26Å |
| 217 | A | 97.4 | Very high | 92.9 | Very high | 51 Ų | 51 | 79.3 Ų | 79.3 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L234 | A217-L234 PolarHBondContact N-O 2.94Å; A217-L234 PolarHBondContact O-N 3Å |
| 218 | I | 97.7 | Very high | 93.1 | Very high | 54 Ų | 54 | 78.3 Ų | 78.3 | 28% | 0.277 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.8 | 172.5 | -67.4 | 176.4 | 0 | 0 | 0 | 109.5 | W193 L209 L216 W232 V233 | W193-I218 HydrophobicContact CB-CD1 3.77Å; W193-I218 HydrophobicContact CG-CD1 4.32Å; L209-I218 VanDerWaalsContact C-CD1 3.46Å; L209-I218 HydrophobicContact CB-CD1 3.47Å; L209-I218 VanDerWaalsContact CB-CD1 3.47Å; L209-I218 WeakPolarHBondContact O-CD1 3.33Å; L216-I218 HydrophobicContact CD2-CG1 4.12Å; I218-W232 WeakPolarHBondContact CA-O 2.94Å; I218-V233 HydrophobicContact CG1-CG2 4.19Å |
| 219 | Q | 96.5 | Very high | 93.2 | Very high | 94 Ų | 94 | 73.7 Ų | 73.7 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.6 | 168.6 | -177.5 | 168.7 | 83.3 | 0 | 0 | 109.4 | R221 G231 W232 | Q219-R221 HydrophobicContact CG-CG 4.18Å; Q219-G231 CarbonylContact O-C 3.57Å; Q219-G231 WeakPolarHBondContact O-CA 3.48Å; Q219-W232 HydrophobicContact CB-CE3 4.38Å; Q219-W232 HydrophobicContact CG-CE3 4.33Å; Q219-W232 PolarHBondContact N-O 3.22Å; Q219-W232 PolarHBondContact O-N 3.47Å |
| 220 | T | 96.4 | Very high | 93.2 | Very high | 63 Ų | 63 | 73.5 Ų | 73.5 | 39% | 0.387 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.2 | 172.5 | -52.6 | 0 | 0 | 0 | 0 | 108.3 | L191 V229 T230 | L191-T220 HydrophobicContact CB-CG2 4.47Å; T220-V229 HydrophobicContact CG2-CG2 3.31Å; T220-T230 CarbonylContact C-O 3.56Å; T220-T230 WeakPolarHBondContact CA-O 3.15Å |
| 221 | R | 95.4 | Very high | 93.3 | Very high | 146 Ų | 146 | 71 Ų | 71 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.8 | 175.9 | -61.8 | -68.9 | -178.7 | 95.8 | 1 | 109.4 | Q219 T230 W232 | Q219-R221 HydrophobicContact CG-CG 4.18Å; R221-T230 PolarHBondContact N-O 3.18Å; R221-T230 PolarHBondContact O-N 3.07Å; R221-W232 HydrophobicContact CB-CH2 4.07Å; R221-W232 HydrophobicContact CB-CZ3 3.73Å; R221-W232 HydrophobicContact CG-CH2 4.31Å; R221-W232 HydrophobicContact CG-CZ3 3.75Å |
| 222 | G | 93.2 | Very high | 93.7 | Very high | 63 Ų | 63 | 72.2 Ų | 72.2 | 65% | 0.649 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 146.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | E228 | G222-E228 WeakPolarHBondContact CA-O 3.39Å |
| 223 | G | 82.2 | Confident | 94 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 22% | 0.216 | 35% | 0.345 | C | S | . | . | trans | -76 | 173.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E225 E228 | G223-E225 VanDerWaalsContact C-N 3.26Å; G223-E228 PolarHBondContact N-O 2.87Å | ||
| 224 | P | 80.6 | Confident | 94.3 | Very high | 123 Ų | 123 | 66.1 Ų | 66.1 | 80% | 0.799 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -63.7 | -32.8 | 171.4 | 27.6 | -34.9 | 0 | 0 | 0 | 112.2 | E228 | P224-E228 VanDerWaalsContact CD-OE2 3.29Å; P224-E228 WeakPolarHBondContact CD-OE2 3.07Å |
| 225 | E | 87.2 | Confident | 94.5 | Very high | 137 Ų | 137 | 58.5 Ų | 58.5 | 64% | 0.64 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -85.5 | 154.4 | 177.6 | -64.3 | -62.6 | 150.6 | 0 | 0 | 111.9 | G223 E228 | G223-E225 VanDerWaalsContact C-N 3.26Å; E225-E228 HydrophobicContact CB-CB 4.33Å; E225-E228 WeakPolarHBondContact CB-OE2 3.44Å; E225-E228 PolarHBondContact N-OE2 3.39Å; E225-E228 VanDerWaalsContact N-OE2 3.08Å; E225-E228 WeakPolarHBondContact O-CB 3.25Å; E225-E228 PolarHBondContact O-N 2.94Å |
| 226 | K | 88.4 | Confident | 94.5 | Very high | 183 Ų | 183 | 59.8 Ų | 59.8 | 80% | 0.796 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 142.7 | 173.8 | -71.8 | -175.3 | -179.4 | 179.6 | 0 | 109.5 | E228 | K226-E228 PolarHBondContact O-N 2.05Š|
| 227 | H | 93.9 | Very high | 94.5 | Very high | 74 Ų | 74 | 63 Ų | 63 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 22.5 | 176.5 | -55.7 | -61.7 | 0 | 0 | 0 | 114.6 | I184 G185 I186 T188 | I184-H227 WeakPolarHBondContact CA-O 3.05Å; G185-H227 PolarHBondContact N-O 2.7Å; G185-H227 WeakPolarHBondContact O-CB 3.36Å; I186-H227 HydrophobicContact CD1-CB 4.43Å; I186-H227 HydrophobicContact CG1-CB 3.76Å; T188-H227 WeakPolarHBondContact OG1-CA 3.3Å; T188-H227 PolarHBondContact OG1-ND1 3.42Å |
| 228 | E | 96.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143.7 | 174.6 | -170.4 | -177.2 | -179.7 | 0 | 0 | 110.9 | V183 I184 G222 G223 P224 E225 K226 | V183-E228 CarbonylContact O-C 3.43Å; V183-E228 WeakPolarHBondContact O-CA 3.04Å; I184-E228 HydrophobicContact CG2-CB 4.03Å; I184-E228 HydrophobicContact CG2-CG 3.91Å; G222-E228 WeakPolarHBondContact CA-O 3.39Å; G223-E228 PolarHBondContact N-O 2.87Å; P224-E228 VanDerWaalsContact CD-OE2 3.29Å; P224-E228 WeakPolarHBondContact CD-OE2 3.07Å; E225-E228 HydrophobicContact CB-CB 4.33Å; E225-E228 WeakPolarHBondContact CB-OE2 3.44Å; E225-E228 PolarHBondContact N-OE2 3.39Å; E225-E228 VanDerWaalsContact N-OE2 3.08Å; E225-E228 WeakPolarHBondContact O-CB 3.25Å; E225-E228 PolarHBondContact O-N 2.94Å; K226-E228 PolarHBondContact O-N 2.05Å |
| 229 | V | 97.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.9 | 173 | 65 | 0 | 0 | 0 | 0 | 109.9 | V183 T188 P189 L191 T220 | V183-V229 HydrophobicContact CB-CG1 4.07Å; V183-V229 PolarHBondContact N-O 3.13Å; V183-V229 PolarHBondContact O-N 2.99Å; T188-V229 HydrophobicContact CG2-CB 4.31Å; P189-V229 HydrophobicContact CG-CG1 3.91Å; L191-V229 HydrophobicContact CB-CG1 4.05Å; L191-V229 HydrophobicContact CB-CG2 4.22Å; L191-V229 HydrophobicContact CD2-CG1 4.4Å; L191-V229 HydrophobicContact CD2-CG2 4.46Å; T220-V229 HydrophobicContact CG2-CG2 3.31Å |
| 230 | T | 97.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.043 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.7 | 174.6 | -45.1 | 0 | 0 | 0 | 0 | 109.4 | C181 E182 T220 R221 W232 | C181-T230 WeakPolarHBondContact O-CA 3.22Å; E182-T230 HydrophobicContact CG-CG2 3.54Å; T220-T230 CarbonylContact C-O 3.56Å; T220-T230 WeakPolarHBondContact CA-O 3.15Å; R221-T230 PolarHBondContact N-O 3.18Å; R221-T230 PolarHBondContact O-N 3.07Å; T230-W232 VanDerWaalsContact CB-CH2 3.42Å; T230-W232 HydrophobicContact CG2-CD2 4.11Å; T230-W232 HydrophobicContact CG2-CE3 4.31Å; T230-W232 HydrophobicContact CG2-CH2 3.45Å; T230-W232 VanDerWaalsContact CG2-CH2 3.45Å; T230-W232 HydrophobicContact CG2-CZ2 3.18Å; T230-W232 HydrophobicContact CG2-CZ3 4Å; T230-W232 VanDerWaalsContact O-CZ3 3.27Å; T230-W232 WeakPolarHBondContact O-CZ3 3.44Å |
| 231 | G | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | S180 C181 L191 Q219 | S180-G231 CarbonylContact C-O 3.54Å; S180-G231 WeakPolarHBondContact CA-O 3.39Å; C181-G231 PolarHBondContact N-O 2.85Å; C181-G231 PolarHBondContact O-N 3.29Å; L191-G231 VanDerWaalsContact CD2-CA 3.49Å; Q219-G231 CarbonylContact O-C 3.57Å; Q219-G231 WeakPolarHBondContact O-CA 3.48Å |
| 232 | W | 98 | Very high | 94.2 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 30% | 0.295 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.3 | 174.6 | -57.9 | -94 | 0 | 0 | 0 | 110.9 | L179 I218 Q219 R221 T230 | L179-W232 CarbonylContact O-C 3.04Å; L179-W232 WeakPolarHBondContact O-CA 3.35Å; I218-W232 WeakPolarHBondContact CA-O 2.94Å; Q219-W232 HydrophobicContact CB-CE3 4.38Å; Q219-W232 HydrophobicContact CG-CE3 4.33Å; Q219-W232 PolarHBondContact N-O 3.22Å; Q219-W232 PolarHBondContact O-N 3.47Å; R221-W232 HydrophobicContact CB-CH2 4.07Å; R221-W232 HydrophobicContact CB-CZ3 3.73Å; R221-W232 HydrophobicContact CG-CH2 4.31Å; R221-W232 HydrophobicContact CG-CZ3 3.75Å; T230-W232 VanDerWaalsContact CB-CH2 3.42Å; T230-W232 HydrophobicContact CG2-CD2 4.11Å; T230-W232 HydrophobicContact CG2-CE3 4.31Å; T230-W232 HydrophobicContact CG2-CH2 3.45Å; T230-W232 VanDerWaalsContact CG2-CH2 3.45Å; T230-W232 HydrophobicContact CG2-CZ2 3.18Å; T230-W232 HydrophobicContact CG2-CZ3 4Å; T230-W232 VanDerWaalsContact O-CZ3 3.27Å; T230-W232 WeakPolarHBondContact O-CZ3 3.44Å |
| 233 | V | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.4 | 166.6 | 179.3 | 0 | 0 | 0 | 0 | 106.9 | Y178 L179 W193 L216 I218 V235 | Y178-V233 CarbonylContact C-O 3.56Å; Y178-V233 WeakPolarHBondContact CA-O 3.46Å; L179-V233 HydrophobicContact CB-CB 4.28Å; L179-V233 PolarHBondContact N-O 3.45Å; L179-V233 PolarHBondContact O-N 3.19Å; W193-V233 HydrophobicContact CB-CG2 3.9Å; W193-V233 HydrophobicContact CD2-CG2 3.28Å; W193-V233 HydrophobicContact CE3-CG2 3.69Å; W193-V233 HydrophobicContact CG-CG2 3.39Å; W193-V233 HydrophobicContact CZ2-CG2 4.21Å; W193-V233 HydrophobicContact CZ3-CG2 4.29Å; L216-V233 HydrophobicContact CD1-CG1 3.9Å; L216-V233 HydrophobicContact CD2-CG1 4.05Å; L216-V233 HydrophobicContact CG-CG1 3.93Å; I218-V233 HydrophobicContact CG1-CG2 4.19Å; V233-V235 HydrophobicContact CG1-CG2 4.12Å |
| 234 | L | 98.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.1 | 172.7 | 176.1 | 66.2 | 0 | 0 | 0 | 108.8 | Q176 L216 A217 | Q176-L234 HydrophobicContact CG-CD1 3.62Å; L216-L234 CarbonylContact C-O 3.52Å; L216-L234 VanDerWaalsContact CA-O 3.32Å; L216-L234 WeakPolarHBondContact CA-O 3.29Å; A217-L234 PolarHBondContact N-O 2.94Å; A217-L234 PolarHBondContact O-N 3Å |
| 235 | V | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.2 | 172.9 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | Q176 V177 N215 L216 V233 L238 D242 | Q176-V235 WeakPolarHBondContact CA-O 3.15Å; V177-V235 HydrophobicContact CG2-CB 3.91Å; V177-V235 HydrophobicContact CG2-CG2 4.43Å; V177-V235 PolarHBondContact N-O 3.36Å; V177-V235 PolarHBondContact O-N 3.19Å; N215-V235 CarbonylContact O-C 3.53Å; N215-V235 WeakPolarHBondContact O-CA 3.5Å; L216-V235 HydrophobicContact CD1-CG2 3.95Å; L216-V235 HydrophobicContact CG-CG2 4.18Å; V233-V235 HydrophobicContact CG1-CG2 4.12Å; V235-L238 HydrophobicContact CB-CD1 4.47Å; V235-L238 HydrophobicContact CG1-CD1 3.96Å; V235-D242 HydrophobicContact CG1-CB 4.1Å |
| 236 | S | 97.3 | Very high | 96.2 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 34% | 0.336 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -163.3 | 119.5 | -175.5 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | Q176 N215 | Q176-S236 PolarHBondContact NE2-OG 3.38Å; N215-S236 PolarHBondContact O-N 2.99Å |
| 237 | P | 97.8 | Very high | 96.6 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | S | Bend | cis | -73 | 148.3 | -8.7 | 30.6 | -33.6 | 0 | 0 | 0 | 111.8 | N215 | N215-P237 PolarHBondContact ND2-O 3.28Š|
| 238 | L | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | trans | -69.7 | 132.5 | 174.1 | -173.8 | 65.2 | 0 | 0 | 0 | 110.9 | N171 T173 G174 A175 V177 V235 D242 I263 V265 | N171-L238 HydrophobicContact CB-CD2 3.81Å; T173-L238 CarbonylContact C-O 3.49Å; T173-L238 WeakPolarHBondContact CA-O 2.96Å; T173-L238 WeakPolarHBondContact CG2-O 3.25Å; G174-L238 PolarHBondContact N-O 3.03Å; A175-L238 VanDerWaalsContact O-CB 3.22Å; A175-L238 WeakPolarHBondContact O-CB 3Å; A175-L238 PolarHBondContact O-N 2.98Å; V177-L238 HydrophobicContact CG1-CD2 4.11Å; V177-L238 HydrophobicContact CG2-CD1 3.94Å; V177-L238 HydrophobicContact CG2-CD2 4.39Å; V235-L238 HydrophobicContact CB-CD1 4.47Å; V235-L238 HydrophobicContact CG1-CD1 3.96Å; L238-D242 HydrophobicContact CD1-CB 3.69Å; L238-I263 HydrophobicContact CD1-CG2 3.99Å; L238-V265 HydrophobicContact CD1-CG2 4.01Å; L238-V265 HydrophobicContact CD2-CG1 4.43Å; L238-V265 HydrophobicContact CD2-CG2 3.86Å; L238-V265 HydrophobicContact CG-CG1 4.5Å; L238-V265 HydrophobicContact CG-CG2 3.82Å | ||
| 239 | S | 96.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 25% | 0.245 | 21% | 0.208 | C | C | . | . | trans | -125.2 | 166.8 | 177.5 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | D241 D242 V265 | S239-D241 PolarHBondContact O-N 3.16Å; S239-D241 PolarHBondContact OG-N 3.2Å; S239-D242 WeakPolarHBondContact CB-OD2 3.3Å; S239-D242 PolarHBondContact N-OD2 3.48Å; S239-D242 WeakPolarHBondContact O-CB 2.98Å; S239-D242 PolarHBondContact O-N 2.94Å; S239-D242 VanDerWaalsContact O-N 3.1Å; S239-D242 PolarHBondContact OG-OD2 2.04Å; S239-V265 WeakPolarHBondContact O-CG2 3.44Å | ||
| 240 | K | 94.9 | Very high | 96.9 | Very high | 120 Ų | 120 | 37.3 Ų | 37.3 | 52% | 0.522 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -61.9 | -27.8 | 176.1 | -68.4 | -169.4 | 176.2 | -169.5 | 0 | 112.8 | D242 A243 D267 | K240-D242 PolarHBondContact O-N 3.23Å; K240-A243 VanDerWaalsContact O-CB 3.28Å; K240-A243 WeakPolarHBondContact O-CB 3.48Å; K240-A243 PolarHBondContact O-N 2.85Å; K240-A243 VanDerWaalsContact O-N 3.16Å; K240-D267 WeakPolarHBondContact CE-OD1 3.32Å; K240-D267 IonicContact NZ-OD1 3.04Å; K240-D267 PolarHBondContact NZ-OD1 2.93Å; K240-D267 IonicContact NZ-OD2 2.88Å; K240-D267 PolarHBondContact NZ-OD2 3.35Å |
| 241 | D | 93.5 | Very high | 97 | Very high | 140 Ų | 140 | 38.6 Ų | 38.6 | 75% | 0.749 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -71.5 | -17.9 | 178.2 | -63.7 | -29.8 | 0 | 0 | 0 | 112.7 | K195 S239 A243 | K195-D241 PolarHBondContact NZ-O 3.37Å; S239-D241 PolarHBondContact O-N 3.16Å; S239-D241 PolarHBondContact OG-N 3.2Å; D241-A243 VanDerWaalsContact C-N 3.34Å |
| 242 | D | 95.4 | Very high | 97 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -80.3 | -15.9 | 173.9 | -59.1 | -56.3 | 0 | 0 | 0 | 112.5 | K195 N215 V235 L238 S239 K240 G244 Y246 | K195-D242 VanDerWaalsContact NZ-CA 3.31Å; K195-D242 PolarHBondContact NZ-O 2.54Å; N215-D242 PolarHBondContact ND2-OD1 3.2Å; N215-D242 PolarHBondContact ND2-OD2 2.79Å; V235-D242 HydrophobicContact CG1-CB 4.1Å; L238-D242 HydrophobicContact CD1-CB 3.69Å; S239-D242 WeakPolarHBondContact CB-OD2 3.3Å; S239-D242 PolarHBondContact N-OD2 3.48Å; S239-D242 WeakPolarHBondContact O-CB 2.98Å; S239-D242 PolarHBondContact O-N 2.94Å; S239-D242 VanDerWaalsContact O-N 3.1Å; S239-D242 PolarHBondContact OG-OD2 2.04Å; K240-D242 PolarHBondContact O-N 3.23Å; D242-G244 PolarHBondContact O-N 3.19Å; D242-Y246 VanDerWaalsContact O-CE2 3.28Å; D242-Y246 WeakPolarHBondContact O-CE2 3.34Å; D242-Y246 PolarHBondContact O-OH 3.01Å |
| 243 | A | 95.4 | Very high | 97 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 34% | 0.339 | 24% | 0.235 | S | C | . | . | trans | -57.3 | 141.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K195 K240 D241 I263 V265 | K195-A243 WeakPolarHBondContact CE-O 3.28Å; K195-A243 PolarHBondContact NZ-O 3.5Å; K240-A243 VanDerWaalsContact O-CB 3.28Å; K240-A243 WeakPolarHBondContact O-CB 3.48Å; K240-A243 PolarHBondContact O-N 2.85Å; K240-A243 VanDerWaalsContact O-N 3.16Å; D241-A243 VanDerWaalsContact C-N 3.34Å; A243-I263 WeakPolarHBondContact CA-O 3.01Å; A243-V265 HydrophobicContact CB-CG2 4.15Å | ||
| 244 | G | 94.8 | Very high | 97 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 21% | 0.206 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.5 | -174.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D242 K262 I263 | D242-G244 PolarHBondContact O-N 3.19Å; G244-K262 WeakPolarHBondContact O-CA 3.33Å; G244-I263 PolarHBondContact N-O 3Å; G244-I263 PolarHBondContact O-N 3.17Å |
| 245 | E | 96.5 | Very high | 97 | Very high | 67 Ų | 67 | 43 Ų | 43 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.7 | -179.5 | -179.2 | 171 | -169.3 | 0 | 0 | 109.8 | V196 S260 A261 | V196-E245 HydrophobicContact CB-CB 4.06Å; V196-E245 HydrophobicContact CB-CG 4.19Å; V196-E245 HydrophobicContact CG2-CB 4.44Å; V196-E245 HydrophobicContact CG2-CG 4.08Å; V196-E245 PolarHBondContact N-O 3.08Å; E245-S260 WeakPolarHBondContact OE1-CB 3.41Å; E245-A261 WeakPolarHBondContact CA-O 3.48Å |
| 246 | Y | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.5 | -176.2 | -71.8 | -105.4 | 0 | 0 | 0 | 107.8 | L179 N194 K195 L209 L216 D242 S260 A261 I263 | L179-Y246 HydrophobicContact CD1-CD1 3.99Å; L179-Y246 HydrophobicContact CD1-CD2 4.15Å; L179-Y246 HydrophobicContact CD1-CG 3.58Å; N194-Y246 CarbonylContact O-C 3.59Å; N194-Y246 WeakPolarHBondContact O-CA 3.46Å; K195-Y246 HydrophobicContact CD-CE1 4.3Å; K195-Y246 HydrophobicContact CD-CE2 4.42Å; K195-Y246 HydrophobicContact CG-CE1 4.49Å; K195-Y246 PolarHBondContact NZ-OH 2.86Å; K195-Y246 VanDerWaalsContact NZ-OH 3.17Å; L209-Y246 HydrophobicContact CD1-CD1 3.56Å; L209-Y246 HydrophobicContact CD1-CE1 3.75Å; L216-Y246 HydrophobicContact CD1-CE1 4.26Å; D242-Y246 VanDerWaalsContact O-CE2 3.28Å; D242-Y246 WeakPolarHBondContact O-CE2 3.34Å; D242-Y246 PolarHBondContact O-OH 3.01Å; Y246-S260 CarbonylContact O-C 3.49Å; Y246-S260 WeakPolarHBondContact O-CA 3.38Å; Y246-A261 PolarHBondContact N-O 3.48Å; Y246-A261 PolarHBondContact O-N 3.39Å; Y246-I263 HydrophobicContact CD2-CB 4.39Å; Y246-I263 HydrophobicContact CD2-CD1 3.93Å; Y246-I263 HydrophobicContact CD2-CG1 4.08Å; Y246-I263 HydrophobicContact CE2-CB 4.06Å; Y246-I263 HydrophobicContact CE2-CD1 3.66Å; Y246-I263 HydrophobicContact CE2-CG1 4.04Å |
| 247 | E | 97.8 | Very high | 97 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127 | -178.3 | 179.5 | -173.8 | 64.8 | 0 | 0 | 109.2 | W193 N194 V196 A259 | W193-E247 CarbonylContact C-O 3.56Å; W193-E247 WeakPolarHBondContact CA-O 3.36Å; N194-E247 HydrophobicContact CB-CB 4.43Å; N194-E247 PolarHBondContact N-O 3.13Å; N194-E247 PolarHBondContact ND2-OE1 2.88Å; N194-E247 PolarHBondContact O-N 3.29Å; V196-E247 HydrophobicContact CG2-CB 4.04Å; E247-A259 CarbonylContact C-O 3.59Å; E247-A259 WeakPolarHBondContact CA-O 3.4Å |
| 248 | C | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.8 | 159.6 | 63.1 | 0 | 0 | 0 | 0 | 108.6 | C181 L191 W193 S258 A259 | C181-C248 HydrophobicContact CB-CB 3.42Å; C181-C248 VanDerWaalsContact CB-CB 3.42Å; C181-C248 WeakPolarHBondContact CB-SG 3.47Å; C181-C248 WeakPolarHBondContact SG-CB 3.01Å; C181-C248 CovalentContact SG-SG 2.05Å; C181-C248 PolarHBondContact SG-SG 3.18Å; L191-C248 HydrophobicContact CD1-CB 4.08Å; W193-C248 HydrophobicContact CD2-CB 4Å; W193-C248 HydrophobicContact CE3-CB 3.87Å; W193-C248 HydrophobicContact CH2-CB 3.8Å; W193-C248 HydrophobicContact CZ2-CB 3.92Å; W193-C248 HydrophobicContact CZ3-CB 3.77Å; C248-S258 WeakPolarHBondContact O-CA 3.43Å; C248-A259 PolarHBondContact N-O 3.37Å; C248-A259 PolarHBondContact O-N 3.35Å; C248-A259 PolarHBondContact SG-O 2.86Å |
| 249 | H | 98.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.9 | 177.8 | 171.6 | -76.8 | 0 | 0 | 0 | 109.2 | I192 S258 | I192-H249 HydrophobicContact CD1-CB 4.32Å; I192-H249 HydrophobicContact CG1-CB 3.87Å; I192-H249 VanDerWaalsContact CG1-O 3.31Å; I192-H249 WeakPolarHBondContact CG1-O 3.41Å; I192-H249 PolarHBondContact N-O 3Å; I192-H249 PolarHBondContact O-N 2.89Å; H249-S258 PolarHBondContact CD2-OG 2.91Å; H249-S258 VanDerWaalsContact CD2-OG 3.24Å |
| 250 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P160 V183 P189 V190 L191 Q256 A257 | P160-A250 HydrophobicContact CB-CB 3.83Å; P160-A250 HydrophobicContact CG-CB 4.43Å; V183-A250 HydrophobicContact CB-CB 4.25Å; V183-A250 HydrophobicContact CG1-CB 3.61Å; V183-A250 HydrophobicContact CG2-CB 4.06Å; P189-A250 HydrophobicContact CB-CB 4.25Å; V190-A250 VanDerWaalsContact O-CA 3.31Å; V190-A250 WeakPolarHBondContact O-CA 3.44Å; L191-A250 HydrophobicContact CD1-CB 4.07Å; A250-Q256 CarbonylContact O-C 3.47Å; A250-Q256 WeakPolarHBondContact O-CA 3.39Å; A250-A257 PolarHBondContact N-O 2.86Å; A250-A257 PolarHBondContact O-N 2.85Å |
| 251 | S | 98.3 | Very high | 97.3 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 140.2 | -178 | -167.2 | 0 | 0 | 0 | 0 | 112 | P189 V190 G255 Q256 | P189-S251 CarbonylContact C-O 3.02Å; P189-S251 VanDerWaalsContact CA-O 3.32Å; P189-S251 WeakPolarHBondContact CA-O 3.45Å; V190-S251 PolarHBondContact N-O 2.96Å; V190-S251 PolarHBondContact O-N 2.8Å; S251-G255 WeakPolarHBondContact CA-O 3.46Å; S251-Q256 VanDerWaalsContact OG-CG 3.31Å; S251-Q256 WeakPolarHBondContact OG-CG 3.21Å; S251-Q256 PolarHBondContact OG-NE2 2.81Å |
| 252 | N | 98.1 | Very high | 97.5 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 13% | 0.128 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | -171.3 | 164.6 | 71.5 | 5.2 | 0 | 0 | 0 | 110.4 | Q158 P160 I186 P187 P189 Q254 G255 | Q158-N252 PolarHBondContact O-ND2 3.32Å; P160-N252 WeakPolarHBondContact CD-OD1 3.08Å; P160-N252 HydrophobicContact CG-CB 4.47Å; I186-N252 PolarHBondContact N-ND2 2.89Å; P187-N252 WeakPolarHBondContact O-CB 3.43Å; P187-N252 PolarHBondContact O-ND2 2.98Å; P189-N252 HydrophobicContact CB-CB 4.28Å; N252-Q254 PolarHBondContact O-N 2.05Å; N252-Q254 WeakPolarHBondContact OD1-CA 3.49Å; N252-Q254 WeakPolarHBondContact OD1-CB 3.46Å; N252-Q254 PolarHBondContact OD1-N 2.94Å; N252-G255 PolarHBondContact N-O 3.46Å; N252-G255 PolarHBondContact O-N 3.43Å; N252-G255 PolarHBondContact OD1-N 3.14Å; N252-G255 VanDerWaalsContact OD1-N 3.12Å |
| 253 | S | 97.8 | Very high | 97.5 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 60% | 0.601 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.2 | 178.9 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | P187 | P187-S253 VanDerWaalsContact CD-OG 3.31Å; P187-S253 WeakPolarHBondContact CD-OG 3.39Å |
| 254 | Q | 97.9 | Very high | 97.6 | Very high | 96 Ų | 96 | 40.6 Ų | 40.6 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -9.3 | -176.5 | -61.7 | -55.6 | -41.6 | 0 | 0 | 113.4 | E157 N252 | E157-Q254 HydrophobicContact CB-CG 3.7Å; E157-Q254 PolarHBondContact OE2-NE2 2.94Å; N252-Q254 PolarHBondContact O-N 2.05Å; N252-Q254 WeakPolarHBondContact OD1-CA 3.49Å; N252-Q254 WeakPolarHBondContact OD1-CB 3.46Å; N252-Q254 PolarHBondContact OD1-N 2.94Å |
| 255 | G | 98.1 | Very high | 97.7 | Very high | 30 Ų | 30 | 40.8 Ų | 40.8 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | -162.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P160 S251 N252 | P160-G255 VanDerWaalsContact CD-O 3.23Å; P160-G255 WeakPolarHBondContact CD-O 2.99Å; P160-G255 WeakPolarHBondContact CG-O 3.48Å; S251-G255 WeakPolarHBondContact CA-O 3.46Å; N252-G255 PolarHBondContact N-O 3.46Å; N252-G255 PolarHBondContact O-N 3.43Å; N252-G255 PolarHBondContact OD1-N 3.14Å; N252-G255 VanDerWaalsContact OD1-N 3.12Å |
| 256 | Q | 98.4 | Very high | 97.6 | Very high | 134 Ų | 134 | 38 Ų | 38 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.3 | -176.1 | -67.9 | 177 | -19.1 | 0 | 0 | 111 | A250 S251 | A250-Q256 CarbonylContact O-C 3.47Å; A250-Q256 WeakPolarHBondContact O-CA 3.39Å; S251-Q256 VanDerWaalsContact OG-CG 3.31Å; S251-Q256 WeakPolarHBondContact OG-CG 3.21Å; S251-Q256 PolarHBondContact OG-NE2 2.81Å |
| 257 | A | 98.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 43.4 Ų | 43.4 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 143.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | P160 I162 A250 | P160-A257 HydrophobicContact CB-CB 4.13Å; P160-A257 WeakPolarHBondContact O-CB 3.43Å; I162-A257 HydrophobicContact CD1-CB 4.19Å; I162-A257 HydrophobicContact CG1-CB 4.05Å; A250-A257 PolarHBondContact N-O 2.86Å; A250-A257 PolarHBondContact O-N 2.85Å |
| 258 | S | 98 | Very high | 96.8 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.3 | 177.8 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | I162 C248 H249 | I162-S258 WeakPolarHBondContact CD1-O 3.3Å; C248-S258 WeakPolarHBondContact O-CA 3.43Å; H249-S258 PolarHBondContact CD2-OG 2.91Å; H249-S258 VanDerWaalsContact CD2-OG 3.24Å |
| 259 | A | 98.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 147.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | I162 P165 E247 C248 | I162-A259 HydrophobicContact CD1-CB 3.45Å; I162-A259 VanDerWaalsContact CD1-CB 3.45Å; I162-A259 VanDerWaalsContact CD1-N 3.28Å; I162-A259 HydrophobicContact CG2-CB 4.16Å; P165-A259 HydrophobicContact CB-CB 3.78Å; E247-A259 CarbonylContact C-O 3.59Å; E247-A259 WeakPolarHBondContact CA-O 3.4Å; C248-A259 PolarHBondContact N-O 3.37Å; C248-A259 PolarHBondContact O-N 3.35Å; C248-A259 PolarHBondContact SG-O 2.86Å |
| 260 | S | 97.3 | Very high | 95.8 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 33% | 0.329 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 152.1 | -174.3 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | E245 Y246 | E245-S260 WeakPolarHBondContact OE1-CB 3.41Å; Y246-S260 CarbonylContact O-C 3.49Å; Y246-S260 WeakPolarHBondContact O-CA 3.38Å |
| 261 | A | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.017 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P166 D168 L179 E245 Y246 | P166-A261 HydrophobicContact CB-CB 3.58Å; P166-A261 HydrophobicContact CG-CB 3.82Å; D168-A261 WeakPolarHBondContact OD1-CA 3.46Å; L179-A261 HydrophobicContact CD2-CB 4.06Å; E245-A261 WeakPolarHBondContact CA-O 3.48Å; Y246-A261 PolarHBondContact N-O 3.48Å; Y246-A261 PolarHBondContact O-N 3.39Å |
| 262 | K | 97.2 | Very high | 94.8 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.2 | -179.5 | -167.9 | 176.8 | 179.4 | -175.4 | 0 | 111.8 | D168 I169 G244 | D168-K262 VanDerWaalsContact CA-O 3.32Å; D168-K262 WeakPolarHBondContact CA-O 3.3Å; D168-K262 PolarHBondContact OD1-N 2.9Å; I169-K262 PolarHBondContact N-O 2.83Å; G244-K262 WeakPolarHBondContact O-CA 3.33Å |
| 263 | I | 97.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.7 | 165.1 | -65.6 | 175.6 | 0 | 0 | 0 | 108 | V177 L179 L238 A243 G244 Y246 V265 | V177-I263 HydrophobicContact CG2-CD1 4.36Å; L179-I263 HydrophobicContact CD1-CD1 3.93Å; L179-I263 HydrophobicContact CD1-CG1 4.3Å; L179-I263 HydrophobicContact CD2-CG1 4.35Å; L179-I263 HydrophobicContact CG-CD1 4.17Å; L179-I263 HydrophobicContact CG-CG1 4.5Å; L238-I263 HydrophobicContact CD1-CG2 3.99Å; A243-I263 WeakPolarHBondContact CA-O 3.01Å; G244-I263 PolarHBondContact N-O 3Å; G244-I263 PolarHBondContact O-N 3.17Å; Y246-I263 HydrophobicContact CD2-CB 4.39Å; Y246-I263 HydrophobicContact CD2-CD1 3.93Å; Y246-I263 HydrophobicContact CD2-CG1 4.08Å; Y246-I263 HydrophobicContact CE2-CB 4.06Å; Y246-I263 HydrophobicContact CE2-CD1 3.66Å; Y246-I263 HydrophobicContact CE2-CG1 4.04Å; I263-V265 HydrophobicContact CG2-CG2 4.23Å |
| 264 | T | 96.7 | Very high | 93.4 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 15% | 0.153 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.4 | 175.1 | -53.2 | 0 | 0 | 0 | 0 | 108.9 | I169 W170 N171 V266 | I169-T264 PolarHBondContact O-N 2.83Å; W170-T264 WeakPolarHBondContact CA-O 3.39Å; W170-T264 HydrophobicContact CD2-CG2 3.85Å; W170-T264 HydrophobicContact CE3-CG2 3.72Å; W170-T264 HydrophobicContact CH2-CG2 4.08Å; W170-T264 HydrophobicContact CZ2-CG2 4.16Å; W170-T264 HydrophobicContact CZ3-CG2 3.85Å; N171-T264 PolarHBondContact N-O 3.31Å; T264-V266 HydrophobicContact CG2-CG1 4.36Å |
| 265 | V | 96.6 | Very high | 92.1 | Very high | 24 Ų | 24 | 68.5 Ų | 68.5 | 15% | 0.145 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.2 | 177.6 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | N171 L238 S239 A243 I263 | N171-V265 CarbonylContact O-C 3.56Å; N171-V265 VanDerWaalsContact O-CA 3.27Å; N171-V265 WeakPolarHBondContact O-CA 3.05Å; L238-V265 HydrophobicContact CD1-CG2 4.01Å; L238-V265 HydrophobicContact CD2-CG1 4.43Å; L238-V265 HydrophobicContact CD2-CG2 3.86Å; L238-V265 HydrophobicContact CG-CG1 4.5Å; L238-V265 HydrophobicContact CG-CG2 3.82Å; S239-V265 WeakPolarHBondContact O-CG2 3.44Å; A243-V265 HydrophobicContact CB-CG2 4.15Å; I263-V265 HydrophobicContact CG2-CG2 4.23Å |
| 266 | V | 94.5 | Very high | 89.9 | Confident | 9 Ų | 9 | 76.7 Ų | 76.7 | 6% | 0.055 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 158 | 179.2 | -67.6 | 0 | 0 | 0 | 0 | 111 | W170 N171 V172 T264 A268 E271 I272 | W170-V266 HydrophobicContact CE3-CG1 3.61Å; W170-V266 HydrophobicContact CZ3-CG1 3.84Å; N171-V266 PolarHBondContact O-N 2.69Å; V172-V266 WeakPolarHBondContact CA-O 3Å; V172-V266 HydrophobicContact CG1-CG2 3.94Å; T264-V266 HydrophobicContact CG2-CG1 4.36Å; V266-A268 WeakPolarHBondContact CG2-O 3.27Å; V266-E271 HydrophobicContact CB-CB 3.88Å; V266-E271 WeakPolarHBondContact CB-OE2 3.27Å; V266-E271 HydrophobicContact CG1-CB 3.83Å; V266-E271 HydrophobicContact CG2-CB 4.3Å; V266-I272 HydrophobicContact CG2-CD1 4.37Å; V266-I272 HydrophobicContact CG2-CG1 3.73Å |
| 267 | D | 89.5 | Confident | 87.5 | Confident | 114 Ų | 114 | 73.6 Ų | 73.6 | 61% | 0.61 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -79.5 | -28.5 | 180 | -73 | -36.8 | 0 | 0 | 0 | 111.8 | K240 | K240-D267 WeakPolarHBondContact CE-OD1 3.32Å; K240-D267 IonicContact NZ-OD1 3.04Å; K240-D267 PolarHBondContact NZ-OD1 2.93Å; K240-D267 IonicContact NZ-OD2 2.88Å; K240-D267 PolarHBondContact NZ-OD2 3.35Å |
| 268 | A | 88.5 | Confident | 85 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 23% | 0.231 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -138.1 | 148.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | V266 H270 E271 | V266-A268 WeakPolarHBondContact CG2-O 3.27Å; A268-H270 PolarHBondContact O-N 2.05Å; A268-H270 VanDerWaalsContact O-N 3.16Å; A268-E271 WeakPolarHBondContact O-CB 3.5Å; A268-E271 PolarHBondContact O-N 3.43Å; A268-E271 VanDerWaalsContact O-N 3.11Å |
| 269 | L | 87.4 | Confident | 82.3 | Confident | 121 Ų | 121 | 82.7 Ų | 82.7 | 63% | 0.634 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -59.5 | -28.2 | -179.1 | -70 | 173.1 | 0 | 0 | 0 | 113.7 | V172 E271 I272 | V172-L269 HydrophobicContact CG1-CD2 3.9Å; V172-L269 HydrophobicContact CG1-CG 4.23Å; V172-L269 HydrophobicContact CG2-CD2 4.11Å; L269-E271 PolarHBondContact O-N 2.04Å; L269-I272 HydrophobicContact CD2-CD1 3.89Å; L269-I272 WeakPolarHBondContact O-CB 3.39Å; L269-I272 WeakPolarHBondContact O-CG1 3.04Å; L269-I272 PolarHBondContact O-N 3.43Å |
| 270 | H | 88.1 | Confident | 79.6 | Confident | 161 Ų | 161 | 86.2 Ų | 86.2 | 75% | 0.745 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -71.3 | -13.3 | -179.8 | 65.5 | 52.3 | 0 | 0 | 0 | 113.6 | A268 I272 | A268-H270 PolarHBondContact O-N 2.05Å; A268-H270 VanDerWaalsContact O-N 3.16Å; H270-I272 VanDerWaalsContact C-N 3.29Å |
| 271 | E | 86.9 | Confident | 76.8 | Confident | 90 Ų | 90 | 93.4 Ų | 93.4 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -83.4 | -9.3 | 177.7 | -58.3 | -179.3 | -175.9 | 0 | 0 | 112.3 | V266 A268 L269 P273 | V266-E271 HydrophobicContact CB-CB 3.88Å; V266-E271 WeakPolarHBondContact CB-OE2 3.27Å; V266-E271 HydrophobicContact CG1-CB 3.83Å; V266-E271 HydrophobicContact CG2-CB 4.3Å; A268-E271 WeakPolarHBondContact O-CB 3.5Å; A268-E271 PolarHBondContact O-N 3.43Å; A268-E271 VanDerWaalsContact O-N 3.11Å; L269-E271 PolarHBondContact O-N 2.04Å; E271-P273 WeakPolarHBondContact O-CD 3.31Å |
| 272 | I | 88.3 | Confident | 74.1 | Confident | 49 Ų | 49 | 104.6 Ų | 104.6 | 25% | 0.251 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -72.2 | 122.4 | 179.4 | -61 | 177.9 | 0 | 0 | 0 | 109.1 | W170 V266 L269 H270 V274 | W170-I272 HydrophobicContact CB-CB 4.48Å; W170-I272 HydrophobicContact CB-CG1 4.29Å; W170-I272 HydrophobicContact CB-CG2 3.91Å; V266-I272 HydrophobicContact CG2-CD1 4.37Å; V266-I272 HydrophobicContact CG2-CG1 3.73Å; L269-I272 HydrophobicContact CD2-CD1 3.89Å; L269-I272 WeakPolarHBondContact O-CB 3.39Å; L269-I272 WeakPolarHBondContact O-CG1 3.04Å; L269-I272 PolarHBondContact O-N 3.43Å; H270-I272 VanDerWaalsContact C-N 3.29Å; I272-V274 PolarHBondContact O-N 3.49Å |
| 273 | P | 87.2 | Confident | 73 | Confident | 73 Ų | 73 | 104.2 Ų | 104.2 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | trans | -60.5 | 123 | 177.3 | -22.1 | 31.5 | 0 | 0 | 0 | 111.2 | W170 E271 K275 | W170-P273 HydrophobicContact CD2-CG 3.83Å; W170-P273 HydrophobicContact CE3-CG 3.96Å; W170-P273 HydrophobicContact CG-CG 4.45Å; W170-P273 HydrophobicContact CH2-CG 3.92Å; W170-P273 HydrophobicContact CZ2-CG 3.82Å; W170-P273 HydrophobicContact CZ3-CG 4Å; E271-P273 WeakPolarHBondContact O-CD 3.31Å; P273-K275 PolarHBondContact O-N 2.86Å | ||
| 274 | V | 79.8 | Confident | 71.7 | Confident | 139 Ų | 139 | 109.5 Ų | 109.5 | 84% | 0.842 | 61% | 0.607 | S | S | * | * | trans | -75.8 | 108.8 | 171.7 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | I272 K276 | I272-V274 PolarHBondContact O-N 3.49Å; V274-K276 PolarHBondContact O-N 3.47Å | ||
| 275 | K | 69.3 | Low | 70.3 | Confident | 181 Ų | 181 | 114.2 Ų | 114.2 | 79% | 0.787 | 63% | 0.632 | S | S | * | * | trans | -61.9 | 107.6 | 170.3 | -81 | -172.7 | 175.3 | -178.8 | 0 | 108.7 | P273 G277 | P273-K275 PolarHBondContact O-N 2.86Å; K275-G277 PolarHBondContact O-N 3.25Å | ||
| 276 | K | 51.9 | Low | 68.8 | Low | 203 Ų | 203 | 119.5 Ų | 119.5 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | trans | -67.1 | 112.1 | 167.6 | -148.9 | 177.2 | -173.5 | -177.9 | 0 | 106.1 | V274 E278 | V274-K276 PolarHBondContact O-N 3.47Å; K276-E278 PolarHBondContact O-N 3.15Å | ||
| 277 | G | 48.7 | Very low | 67.2 | Low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -53 | 129.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K275 G279 | K275-G277 PolarHBondContact O-N 3.25Å; G277-G279 PolarHBondContact O-N 3.06Å | ||
| 278 | E | 46.9 | Very low | 65.7 | Low | 197 Ų | 197 | 127.3 Ų | 127.3 | 92% | 0.921 | 70% | 0.704 | S | S | * | * | trans | -57.2 | 109.7 | 154.8 | -82.7 | 169.2 | 113.7 | 0 | 0 | 106.4 | K276 A280 | K276-E278 PolarHBondContact O-N 3.15Å; E278-A280 PolarHBondContact O-N 2.92Å; E278-A280 VanDerWaalsContact O-N 3.15Å | ||
| 279 | G | 39.8 | Very low | 64.1 | Low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -59.4 | 116.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G277 E281 | G277-G279 PolarHBondContact O-N 3.06Å; G279-E281 VanDerWaalsContact C-N 3.34Å; G279-E281 PolarHBondContact O-N 3.14Å | ||
| 280 | A | 41.9 | Very low | 62.3 | Low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | -60.3 | 104.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | E278 L282 | E278-A280 PolarHBondContact O-N 2.92Å; E278-A280 VanDerWaalsContact O-N 3.15Å; A280-L282 PolarHBondContact O-N 3.37Å | ||
| 281 | E | 39.1 | Very low | 60.1 | Low | 198 Ų | 198 | 133.3 Ų | 133.3 | 93% | 0.925 | 75% | 0.746 | S | S | * | * | trans | -65.3 | 111.8 | 162.7 | -157.5 | 170 | 134 | 0 | 0 | 106.1 | G279 | G279-E281 VanDerWaalsContact C-N 3.34Å; G279-E281 PolarHBondContact O-N 3.14Å | ||
| 282 | L | 41.7 | Very low | 57.7 | Low | 236 Ų | 236 | 137.2 Ų | 137.2 | 100% | 1.236 | 78% | 0.776 | S | S | * | * | trans | -79.5 | 0 | 174.1 | -76.1 | 168.4 | 0 | 0 | 0 | 110.4 | A280 | A280-L282 PolarHBondContact O-N 3.37Š|
Retrieved 282 of 282 residues in 420.7 ms
(Link to these results)