| 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 | 49.7 | Very low | 52.5 | Low | 233 Ų | 233 | 132.3 Ų | 132.3 | 100% | 1.148 | 83% | 0.828 | S | S | * | * | 0 | 93.2 | 0 | -63.6 | 164.4 | -178.8 | 0 | 0 | 106.3 | |||||
| 2 | T | 43 | Very low | 52.3 | Low | 142 Ų | 142 | 130.2 Ų | 130.2 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | 72.5 | 105.1 | 73.9 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 3 | G | 50 | Low | 51.7 | Low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | 170.5 | 83.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 4 | I | 56 | Low | 50.9 | Low | 166 Ų | 166 | 133.5 Ų | 133.5 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -110.3 | 145.3 | -175.6 | -78.7 | 174.9 | 0 | 0 | 0 | 109.6 | ||||
| 5 | P | 66.4 | Low | 50.1 | Low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -92.7 | -179.9 | -176.7 | 38.9 | -39 | 0 | 0 | 0 | 113.6 | ||||
| 6 | P | 64 | Low | 49.5 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -124.3 | 152.6 | 138.4 | 33.8 | -22.2 | 0 | 0 | 0 | 111.4 | ||||
| 7 | S | 46.9 | Very low | 48.8 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | cis | 92 | 111.4 | 24.7 | -162.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 8 | V | 56.8 | Low | 47.9 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -146 | 94.5 | 169.3 | -178.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 9 | V | 51.1 | Low | 47.3 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | 74.4 | 113.8 | 91 | 177.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 10 | P | 48 | Very low | 46.9 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -107.9 | -178.1 | 177.6 | 42.4 | -35.8 | 0 | 0 | 0 | 113.5 | ||||
| 11 | S | 45.4 | Very low | 46.3 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -159.5 | 159.2 | 159.8 | -78.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 12 | P | 50.3 | Low | 45.9 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -122.8 | -135.4 | -168.1 | 43.3 | -26.9 | 0 | 0 | 0 | 114.3 | ||||
| 13 | F | 44 | Very low | 45.7 | Very low | 180 Ų | 180 | 123.1 Ų | 123.1 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | trans | 81.9 | 142.2 | -169.7 | -52.6 | -69.1 | 0 | 0 | 0 | 114.6 | ||||
| 14 | D | 40.9 | Very low | 45.2 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | cis | -155.4 | 138 | -12.5 | -106.1 | -36.1 | 0 | 0 | 0 | 107 | ||||
| 15 | T | 39.5 | Very low | 44.3 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | 93.9 | 133.4 | 66.9 | -61.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 16 | A | 39.4 | Very low | 42.9 | Very low | 95 Ų | 95 | 123.7 Ų | 123.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 70.6 | 148.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 17 | S | 38.1 | Very low | 41.6 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -162.1 | 162.1 | -16.2 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 18 | L | 33.2 | Very low | 41 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -20.7 | 147.6 | 173.3 | -69.2 | 65.8 | 0 | 0 | 0 | 120.2 | ||||
| 19 | G | 36 | Very low | 40 | Very low | 71 Ų | 71 | 124.8 Ų | 124.8 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -173 | 60.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 20 | T | 38.9 | Very low | 39.4 | Very low | 148 Ų | 148 | 125 Ų | 125 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | trans | 45.5 | 121.8 | 156.2 | 25.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 21 | Q | 35.7 | Very low | 38.8 | Very low | 178 Ų | 178 | 124.4 Ų | 124.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -72.5 | -176.5 | 153.9 | -118.1 | -175.7 | -3.4 | 0 | 0 | 111.7 | ||||
| 22 | P | 41 | Very low | 38.5 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | cis | -139.5 | -166.7 | -8.8 | 31.9 | -7.6 | 0 | 0 | 0 | 115.4 | ||||
| 23 | S | 39.1 | Very low | 37.8 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | 86.4 | 109.5 | 145.8 | -58.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 24 | S | 38.2 | Very low | 37.5 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | 43.8 | 140.7 | 125.5 | 71.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 25 | T | 38.5 | Very low | 37.3 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | cis | -151.4 | 154.4 | 40.7 | 40.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 26 | V | 35.7 | Very low | 37.3 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 25.5 | 102.5 | 147.3 | -168.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 27 | A | 36.7 | Very low | 37.5 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -90.3 | 153.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 28 | E | 34.8 | Very low | 38 | Very low | 189 Ų | 189 | 128.5 Ų | 128.5 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -73.3 | 144.6 | -173.1 | -65.6 | 149.4 | 99.2 | 0 | 0 | 113.9 | ||||
| 29 | A | 36.2 | Very low | 39.1 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | -136.1 | 72.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | V | 38.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -116.8 | 149.3 | 173.7 | -178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 31 | S | 35.1 | Very low | 41.8 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | 74.8 | 86.5 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 32 | Q | 40 | Very low | 43.5 | Very low | 198 Ų | 198 | 117.1 Ų | 117.1 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | -176.3 | 104.5 | 129.1 | -102.7 | 159.2 | 84.9 | 0 | 0 | 112.5 | |||||
| 33 | S | 34.6 | Very low | 45 | Very low | 130 Ų | 130 | 119.6 Ų | 119.6 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -158.2 | 53.6 | 175.2 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 34 | A | 38.5 | Very low | 46.9 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 88% | 0.884 | 73% | 0.734 | S | S | * | * | trans | -138.2 | 117.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 35 | G | 36.9 | Very low | 48.8 | Very low | 81 Ų | 81 | 118.3 Ų | 118.3 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 110.5 | 147 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 36 | G | 38 | Very low | 51.3 | Low | 56 Ų | 56 | 113 Ų | 113 | 58% | 0.577 | 69% | 0.688 | S | S | * | * | trans | 91.8 | 18.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | L38 N39 | G36-L38 PolarHBondContact O-N 3.1Å; G36-N39 PolarHBondContact O-N 3.22Å | ||
| 37 | K | 43.4 | Very low | 53.8 | Low | 219 Ų | 219 | 108.9 Ų | 108.9 | 95% | 0.952 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 21.2 | -179.5 | -80.8 | -167.2 | 175.3 | -178.2 | 0 | 117.1 | ||
| 38 | L | 49.7 | Very low | 56.1 | Low | 150 Ų | 150 | 113.6 Ų | 113.6 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -15.7 | 175 | -95.6 | 161.1 | 0 | 0 | 0 | 114.5 | G36 S40 | G36-L38 PolarHBondContact O-N 3.1Å; L38-S40 PolarHBondContact O-N 3.17Å |
| 39 | N | 56.4 | Low | 58.6 | Low | 83 Ų | 83 | 110.3 Ų | 110.3 | 44% | 0.444 | 65% | 0.651 | S | S | . | * | trans | -85.7 | -9.4 | -168 | -63.3 | -1.5 | 0 | 0 | 0 | 115.2 | G36 I42 F43 | G36-N39 PolarHBondContact O-N 3.22Å; N39-I42 PolarHBondContact O-N 3.31Å; N39-I42 VanDerWaalsContact O-N 3.13Å; N39-F43 HydrophobicContact CB-CD2 4.04Å; N39-F43 HydrophobicContact CB-CE2 3.7Å; N39-F43 WeakPolarHBondContact O-CD2 3.2Å; N39-F43 PolarHBondContact O-N 3.01Å | ||
| 40 | S | 61.8 | Low | 61.1 | Low | 84 Ų | 84 | 109.2 Ų | 109.2 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -52.4 | -44.2 | -172.4 | -170.4 | 0 | 0 | 0 | 0 | 116.5 | L38 I42 N44 | L38-S40 PolarHBondContact O-N 3.17Å; S40-I42 VanDerWaalsContact C-N 3.35Å; S40-I42 PolarHBondContact O-N 3.38Å; S40-N44 PolarHBondContact O-ND2 3.36Å |
| 41 | P | 70.1 | Confident | 63.5 | Low | 91 Ų | 91 | 110.6 Ų | 110.6 | 59% | 0.591 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.3 | -29 | 179.6 | 28.2 | -34.3 | 0 | 0 | 0 | 113 | N44 L45 | P41-N44 PolarHBondContact O-N 3.25Å; P41-L45 PolarHBondContact O-N 3.4Å; P41-L45 VanDerWaalsContact O-N 3.16Å |
| 42 | I | 70.8 | Confident | 66 | Low | 76 Ų | 76 | 110 Ų | 110 | 39% | 0.39 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.8 | -45.6 | -177.5 | -61.8 | 173.5 | 0 | 0 | 0 | 110.2 | N39 S40 N44 L45 C46 | N39-I42 PolarHBondContact O-N 3.31Å; N39-I42 VanDerWaalsContact O-N 3.13Å; S40-I42 VanDerWaalsContact C-N 3.35Å; S40-I42 PolarHBondContact O-N 3.38Å; I42-N44 VanDerWaalsContact C-N 3.3Å; I42-N44 PolarHBondContact O-N 3.08Å; I42-L45 WeakPolarHBondContact O-CB 3.4Å; I42-L45 PolarHBondContact O-N 3.18Å; I42-C46 PolarHBondContact O-N 2.9Å; I42-C46 PolarHBondContact O-SG 3.09Å |
| 43 | F | 72.2 | Confident | 68.4 | Low | 149 Ų | 149 | 101.2 Ų | 101.2 | 65% | 0.654 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.9 | -40.6 | 176.8 | -76.1 | -67 | 0 | 0 | 0 | 113 | N39 L45 C46 G47 | N39-F43 HydrophobicContact CB-CD2 4.04Å; N39-F43 HydrophobicContact CB-CE2 3.7Å; N39-F43 WeakPolarHBondContact O-CD2 3.2Å; N39-F43 PolarHBondContact O-N 3.01Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.21Å; F43-C46 PolarHBondContact O-N 2.84Å; F43-G47 PolarHBondContact O-N 3.15Å; F43-G47 VanDerWaalsContact O-N 3.15Å |
| 44 | N | 79.5 | Confident | 71.1 | Confident | 94 Ų | 94 | 100.9 Ų | 100.9 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.1 | -35.1 | 175.3 | -79.6 | -85.6 | 0 | 0 | 0 | 112.7 | S40 P41 I42 R48 | S40-N44 PolarHBondContact O-ND2 3.36Å; P41-N44 PolarHBondContact O-N 3.25Å; I42-N44 VanDerWaalsContact C-N 3.3Å; I42-N44 PolarHBondContact O-N 3.08Å; N44-R48 PolarHBondContact O-N 2.03Å |
| 45 | L | 78.8 | Confident | 73.7 | Confident | 81 Ų | 81 | 102.3 Ų | 102.3 | 42% | 0.424 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.3 | -46 | 175.8 | -161.4 | 111.6 | 0 | 0 | 0 | 110.8 | P41 I42 F43 R48 Y49 M75 | P41-L45 PolarHBondContact O-N 3.4Å; P41-L45 VanDerWaalsContact O-N 3.16Å; I42-L45 WeakPolarHBondContact O-CB 3.4Å; I42-L45 PolarHBondContact O-N 3.18Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.21Å; L45-R48 PolarHBondContact O-N 3Å; L45-Y49 HydrophobicContact CD1-CE2 4.24Å; L45-Y49 HydrophobicContact CD2-CD2 4.02Å; L45-Y49 HydrophobicContact CD2-CE2 4.13Å; L45-Y49 HydrophobicContact CG-CD2 3.89Å; L45-Y49 HydrophobicContact CG-CE2 3.86Å; L45-Y49 WeakPolarHBondContact O-CD2 3.39Å; L45-Y49 PolarHBondContact O-N 3.09Å; L45-Y49 VanDerWaalsContact O-N 3.13Å; L45-M75 HydrophobicContact CD2-CE 4.23Å |
| 46 | C | 90.1 | Very high | 76.2 | Confident | 13 Ų | 13 | 102.6 Ų | 102.6 | 9% | 0.088 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -58.8 | -50.8 | -179.5 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | I42 F43 R48 Y49 E50 C76 | I42-C46 PolarHBondContact O-N 2.9Å; I42-C46 PolarHBondContact O-SG 3.09Å; F43-C46 PolarHBondContact O-N 2.84Å; C46-R48 PolarHBondContact O-N 3.17Å; C46-Y49 PolarHBondContact O-N 3.37Å; C46-Y49 VanDerWaalsContact O-N 3.16Å; C46-E50 PolarHBondContact O-N 3.06Å; C46-C76 WeakPolarHBondContact CA-SG 3.4Å; C46-C76 HydrophobicContact CB-CB 3.55Å; C46-C76 WeakPolarHBondContact CB-SG 3.15Å; C46-C76 WeakPolarHBondContact SG-CA 3.24Å; C46-C76 WeakPolarHBondContact SG-CB 3.43Å; C46-C76 CovalentContact SG-SG 2.03Å; C46-C76 PolarHBondContact SG-SG 2.77Å |
| 47 | G | 87.1 | Confident | 78.9 | Confident | 53 Ų | 53 | 101.1 Ų | 101.1 | 55% | 0.546 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -28.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F43 | F43-G47 PolarHBondContact O-N 3.15Å; F43-G47 VanDerWaalsContact O-N 3.15Å |
| 48 | R | 85.4 | Confident | 81.2 | Confident | 194 Ų | 194 | 96.4 Ų | 96.4 | 73% | 0.732 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -77.7 | -32.2 | 176.7 | -168.5 | 179.2 | -67.6 | -168.4 | -2.4 | 113.2 | N44 L45 C46 | N44-R48 PolarHBondContact O-N 2.03Å; L45-R48 PolarHBondContact O-N 3Å; C46-R48 PolarHBondContact O-N 3.17Å |
| 49 | Y | 86.8 | Confident | 83 | Confident | 121 Ų | 121 | 91.4 Ų | 91.4 | 48% | 0.475 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -89.8 | -8 | 177.1 | -75.8 | -69.8 | 0 | 0 | 0 | 114 | L45 C46 Q51 L52 A53 | L45-Y49 HydrophobicContact CD1-CE2 4.24Å; L45-Y49 HydrophobicContact CD2-CD2 4.02Å; L45-Y49 HydrophobicContact CD2-CE2 4.13Å; L45-Y49 HydrophobicContact CG-CD2 3.89Å; L45-Y49 HydrophobicContact CG-CE2 3.86Å; L45-Y49 WeakPolarHBondContact O-CD2 3.39Å; L45-Y49 PolarHBondContact O-N 3.09Å; L45-Y49 VanDerWaalsContact O-N 3.13Å; C46-Y49 PolarHBondContact O-N 3.37Å; C46-Y49 VanDerWaalsContact O-N 3.16Å; Y49-Q51 PolarHBondContact O-N 3.28Å; Y49-L52 HydrophobicContact CD1-CD2 4.14Å; Y49-L52 HydrophobicContact CE1-CD2 4.5Å; Y49-L52 PolarHBondContact O-N 3.09Å; Y49-A53 WeakPolarHBondContact O-CB 3.43Å; Y49-A53 PolarHBondContact O-N 3.19Å |
| 50 | E | 90.1 | Very high | 84.7 | Confident | 82 Ų | 82 | 94.9 Ų | 94.9 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | -173.9 | 177.6 | 160.4 | -152 | 0 | 0 | 113.6 | C46 L52 A53 Q54 Y72 | C46-E50 PolarHBondContact O-N 3.06Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 2.93Å; E50-A53 PolarHBondContact O-N 3.43Å; E50-Q54 HydrophobicContact CG-CG 4.14Å; E50-Q54 VanDerWaalsContact CG-NE2 3.31Å; E50-Q54 WeakPolarHBondContact O-CB 3.27Å; E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.25Å; E50-Q54 PolarHBondContact O-N 2.79Å; E50-Q54 PolarHBondContact OE1-NE2 3.19Å; E50-Y72 WeakPolarHBondContact CA-OH 3.45Å; E50-Y72 WeakPolarHBondContact CB-OH 3.48Å |
| 51 | Q | 88.4 | Confident | 86 | Confident | 157 Ų | 157 | 91.6 Ų | 91.6 | 73% | 0.734 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 179.7 | -70.2 | -176.1 | -16.6 | 0 | 0 | 112.3 | Y49 Q54 Q55 | Y49-Q51 PolarHBondContact O-N 3.28Å; Q51-Q54 PolarHBondContact O-N 3.24Å; Q51-Q55 PolarHBondContact O-N 3.45Å; Q51-Q55 VanDerWaalsContact O-N 3.1Å |
| 52 | L | 87.7 | Confident | 87 | Confident | 92 Ų | 92 | 95.5 Ų | 95.5 | 48% | 0.482 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.3 | -167 | 73.9 | 0 | 0 | 0 | 111 | Y49 E50 Q55 H56 | Y49-L52 HydrophobicContact CD1-CD2 4.14Å; Y49-L52 HydrophobicContact CE1-CD2 4.5Å; Y49-L52 PolarHBondContact O-N 3.09Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 2.93Å; L52-Q55 PolarHBondContact O-N 3.07Å; L52-H56 PolarHBondContact O-CD2 3.46Å; L52-H56 PolarHBondContact O-N 3.5Å |
| 53 | A | 90.7 | Very high | 87.9 | Confident | 12 Ų | 12 | 94.9 Ų | 94.9 | 10% | 0.099 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y49 E50 Q55 C57 Y72 | Y49-A53 WeakPolarHBondContact O-CB 3.43Å; Y49-A53 PolarHBondContact O-N 3.19Å; E50-A53 PolarHBondContact O-N 3.43Å; A53-Q55 VanDerWaalsContact C-N 3.32Å; A53-Q55 PolarHBondContact O-N 2.86Å; A53-C57 WeakPolarHBondContact O-CA 3.39Å; A53-C57 WeakPolarHBondContact O-CB 3.45Å; A53-C57 PolarHBondContact O-N 3.36Å; A53-Y72 HydrophobicContact CB-CD1 3.55Å; A53-Y72 HydrophobicContact CB-CD2 4.14Å; A53-Y72 HydrophobicContact CB-CE1 3.49Å; A53-Y72 VanDerWaalsContact CB-CE1 3.49Å; A53-Y72 HydrophobicContact CB-CE2 4.08Å; A53-Y72 HydrophobicContact CB-CG 3.9Å |
| 54 | Q | 90.1 | Very high | 88.7 | Confident | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.4 | -26.4 | 175.1 | -73.7 | -178.2 | 14.1 | 0 | 0 | 112.9 | E50 Q51 | E50-Q54 HydrophobicContact CG-CG 4.14Å; E50-Q54 VanDerWaalsContact CG-NE2 3.31Å; E50-Q54 WeakPolarHBondContact O-CB 3.27Å; E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.25Å; E50-Q54 PolarHBondContact O-N 2.79Å; E50-Q54 PolarHBondContact OE1-NE2 3.19Å; Q51-Q54 PolarHBondContact O-N 3.24Å |
| 55 | Q | 92.8 | Very high | 89.1 | Confident | 137 Ų | 137 | 95.7 Ų | 95.7 | 64% | 0.64 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -84.5 | -39.6 | 175.3 | -73 | -178 | -24.8 | 0 | 0 | 113.4 | Q51 L52 A53 N58 | Q51-Q55 PolarHBondContact O-N 3.45Å; Q51-Q55 VanDerWaalsContact O-N 3.1Å; L52-Q55 PolarHBondContact O-N 3.07Å; A53-Q55 VanDerWaalsContact C-N 3.32Å; A53-Q55 PolarHBondContact O-N 2.86Å; Q55-N58 PolarHBondContact O-ND2 3.29Å |
| 56 | H | 90.7 | Very high | 89.8 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 40% | 0.398 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -103.2 | -29 | -171.2 | -66.7 | -71.5 | 0 | 0 | 0 | 114.8 | L52 N58 M65 | L52-H56 PolarHBondContact O-CD2 3.46Å; L52-H56 PolarHBondContact O-N 3.5Å; H56-N58 VanDerWaalsContact C-N 3.3Å; H56-N58 PolarHBondContact O-N 3.16Å; H56-M65 HydrophobicContact CB-CE 4.27Å; H56-M65 HydrophobicContact CB-SD 4.06Å |
| 57 | C | 93.8 | Very high | 89.7 | Confident | 26 Ų | 26 | 96.4 Ų | 96.4 | 18% | 0.176 | 51% | 0.508 | C | S | . | . | trans | -90.3 | 57.4 | -173 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | A53 G59 E61 C69 R73 | A53-C57 WeakPolarHBondContact O-CA 3.39Å; A53-C57 WeakPolarHBondContact O-CB 3.45Å; A53-C57 PolarHBondContact O-N 3.36Å; C57-G59 VanDerWaalsContact C-N 3.29Å; C57-G59 PolarHBondContact O-N 3.11Å; C57-E61 WeakPolarHBondContact CA-OE1 3.45Å; C57-C69 WeakPolarHBondContact CA-SG 3.45Å; C57-C69 HydrophobicContact CB-CB 3.62Å; C57-C69 WeakPolarHBondContact CB-SG 2.99Å; C57-C69 VanDerWaalsContact SG-CA 3.5Å; C57-C69 WeakPolarHBondContact SG-CB 3.39Å; C57-C69 CovalentContact SG-SG 2.03Å; C57-C69 PolarHBondContact SG-SG 2.94Å; C57-R73 PolarHBondContact O-NH2 3.27Å | ||
| 58 | N | 91.2 | Very high | 89.9 | Confident | 119 Ų | 119 | 99.9 Ų | 99.9 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -79 | 1.8 | -172.8 | -61.9 | -34.5 | 0 | 0 | 0 | 115.5 | Q55 H56 E61 | Q55-N58 PolarHBondContact O-ND2 3.29Å; H56-N58 VanDerWaalsContact C-N 3.3Å; H56-N58 PolarHBondContact O-N 3.16Å; N58-E61 PolarHBondContact N-OE1 2.99Å |
| 59 | G | 89 | Confident | 90.2 | Very high | 46 Ų | 46 | 90.8 Ų | 90.8 | 47% | 0.474 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 93.7 | -17.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C57 E61 | C57-G59 VanDerWaalsContact C-N 3.29Å; C57-G59 PolarHBondContact O-N 3.11Å; G59-E61 WeakPolarHBondContact CA-OE1 3Å; G59-E61 PolarHBondContact N-OE1 3.43Å |
| 60 | N | 91.2 | Very high | 90.4 | Very high | 155 Ų | 155 | 90 Ų | 90 | 83% | 0.829 | 48% | 0.481 | S | S | * | . | trans | -102.2 | 30.6 | -179.7 | -63.7 | -11.5 | 0 | 0 | 0 | 112.1 | ||||
| 61 | E | 89.8 | Confident | 90.4 | Very high | 16 Ų | 16 | 89.4 Ų | 89.4 | 8% | 0.075 | 48% | 0.483 | C | S | . | . | trans | -74.3 | 145.5 | -174.7 | -49.6 | 91.7 | -163.7 | 0 | 0 | 112.3 | C57 N58 G59 M65 L66 C69 R73 | C57-E61 WeakPolarHBondContact CA-OE1 3.45Å; N58-E61 PolarHBondContact N-OE1 2.99Å; G59-E61 WeakPolarHBondContact CA-OE1 3Å; G59-E61 PolarHBondContact N-OE1 3.43Å; E61-M65 HydrophobicContact CB-CB 4.39Å; E61-M65 HydrophobicContact CB-CG 4.28Å; E61-M65 HydrophobicContact CG-CG 4.17Å; E61-L66 HydrophobicContact CB-CB 3.91Å; E61-L66 HydrophobicContact CB-CD1 4.12Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.18Å; E61-C69 HydrophobicContact CG-CB 4.08Å; E61-R73 IonicContact OE1-CZ 2.78Å; E61-R73 IonicContact OE1-NH1 3.41Å; E61-R73 IonicContact OE1-NH2 3.57Å; E61-R73 PolarHBondContact OE1-NH2 2.94Å; E61-R73 IonicContact OE2-CZ 2.66Å; E61-R73 IonicContact OE2-NH1 3.52Å; E61-R73 PolarHBondContact OE2-NH1 3.46Å; E61-R73 IonicContact OE2-NH2 3.23Å; E61-R73 PolarHBondContact OE2-NH2 3.45Å | ||
| 62 | Q | 90.7 | Very high | 90.4 | Very high | 173 Ų | 173 | 83.4 Ų | 83.4 | 81% | 0.808 | 45% | 0.453 | S | S | * | . | trans | -124.5 | 155.7 | 174 | -63.4 | -171.8 | 1.4 | 0 | 0 | 111.5 | M65 | Q62-M65 PolarHBondContact O-N 2.81Š| ||
| 63 | G | 90.8 | Very high | 90.6 | Very high | 63 Ų | 63 | 82.8 Ų | 82.8 | 65% | 0.649 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -135.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | M65 L66 | G63-M65 VanDerWaalsContact C-N 3.27Å; G63-M65 PolarHBondContact O-N 2.96Å; G63-L66 WeakPolarHBondContact O-CB 3.5Å; G63-L66 PolarHBondContact O-N 3.23Å |
| 64 | Q | 88.3 | Confident | 90.6 | Very high | 173 Ų | 173 | 89.6 Ų | 89.6 | 81% | 0.808 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.9 | -29.9 | -175.3 | -64.8 | 179.4 | -4.5 | 0 | 0 | 113.6 | L66 A67 L68 | Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.19Å; Q64-A67 PolarHBondContact O-N 3.27Å; Q64-L68 PolarHBondContact O-N 3.43Å; Q64-L68 VanDerWaalsContact O-N 3.14Å |
| 65 | M | 88.1 | Confident | 90.4 | Very high | 86 Ų | 86 | 88.3 Ų | 88.3 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.2 | -34.4 | 178.9 | -170.5 | 172.3 | -78 | 0 | 0 | 111.5 | H56 E61 Q62 G63 L68 C69 | H56-M65 HydrophobicContact CB-CE 4.27Å; H56-M65 HydrophobicContact CB-SD 4.06Å; E61-M65 HydrophobicContact CB-CB 4.39Å; E61-M65 HydrophobicContact CB-CG 4.28Å; E61-M65 HydrophobicContact CG-CG 4.17Å; Q62-M65 PolarHBondContact O-N 2.81Å; G63-M65 VanDerWaalsContact C-N 3.27Å; G63-M65 PolarHBondContact O-N 2.96Å; M65-L68 PolarHBondContact O-N 2.84Å; M65-C69 VanDerWaalsContact O-CB 3.31Å; M65-C69 WeakPolarHBondContact O-CB 3.32Å; M65-C69 PolarHBondContact O-N 3.36Å; M65-C69 PolarHBondContact O-SG 2.87Å |
| 66 | L | 92.2 | Very high | 90.2 | Very high | 57 Ų | 57 | 83.4 Ų | 83.4 | 30% | 0.298 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 174.4 | -178.6 | 63.6 | 0 | 0 | 0 | 111.6 | E61 G63 Q64 C69 Q70 | E61-L66 HydrophobicContact CB-CB 3.91Å; E61-L66 HydrophobicContact CB-CD1 4.12Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.18Å; G63-L66 WeakPolarHBondContact O-CB 3.5Å; G63-L66 PolarHBondContact O-N 3.23Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.19Å; L66-C69 PolarHBondContact O-N 2.92Å; L66-Q70 HydrophobicContact CD1-CG 4.24Å; L66-Q70 HydrophobicContact CG-CG 4.43Å; L66-Q70 WeakPolarHBondContact O-CB 3.33Å; L66-Q70 VanDerWaalsContact O-CG 3.27Å; L66-Q70 WeakPolarHBondContact O-CG 3.43Å; L66-Q70 PolarHBondContact O-N 3.38Å |
| 67 | A | 89.6 | Confident | 89.8 | Confident | 52 Ų | 52 | 84.1 Ų | 84.1 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q64 C69 Q70 T71 | Q64-A67 PolarHBondContact O-N 3.27Å; A67-C69 PolarHBondContact O-N 2.9Å; A67-Q70 PolarHBondContact O-N 3.17Å; A67-T71 WeakPolarHBondContact O-CB 3.38Å; A67-T71 PolarHBondContact O-N 2.94Å; A67-T71 PolarHBondContact O-OG1 3.42Å; A67-T71 VanDerWaalsContact O-OG1 3.11Å |
| 68 | L | 89.5 | Confident | 88.8 | Confident | 126 Ų | 126 | 84.4 Ų | 84.4 | 66% | 0.66 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -57.7 | -46.7 | 175 | -100 | 160.3 | 0 | 0 | 0 | 112.4 | Q64 M65 T71 Y72 | Q64-L68 PolarHBondContact O-N 3.43Å; Q64-L68 VanDerWaalsContact O-N 3.14Å; M65-L68 PolarHBondContact O-N 2.84Å; L68-T71 PolarHBondContact O-N 2.99Å; L68-Y72 PolarHBondContact O-N 3.24Å |
| 69 | C | 93.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 83.1 Ų | 83.1 | 2% | 0.02 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70.1 | -33.6 | 179.7 | -70.5 | 0 | 0 | 0 | 0 | 113.1 | C57 E61 M65 L66 A67 R73 | C57-C69 WeakPolarHBondContact CA-SG 3.45Å; C57-C69 HydrophobicContact CB-CB 3.62Å; C57-C69 WeakPolarHBondContact CB-SG 2.99Å; C57-C69 VanDerWaalsContact SG-CA 3.5Å; C57-C69 WeakPolarHBondContact SG-CB 3.39Å; C57-C69 CovalentContact SG-SG 2.03Å; C57-C69 PolarHBondContact SG-SG 2.94Å; E61-C69 HydrophobicContact CG-CB 4.08Å; M65-C69 VanDerWaalsContact O-CB 3.31Å; M65-C69 WeakPolarHBondContact O-CB 3.32Å; M65-C69 PolarHBondContact O-N 3.36Å; M65-C69 PolarHBondContact O-SG 2.87Å; L66-C69 PolarHBondContact O-N 2.92Å; A67-C69 PolarHBondContact O-N 2.9Å; C69-R73 WeakPolarHBondContact O-CB 3.45Å; C69-R73 WeakPolarHBondContact O-CD 3.47Å; C69-R73 WeakPolarHBondContact O-CG 3.27Å; C69-R73 PolarHBondContact O-N 3.17Å |
| 70 | Q | 91 | Very high | 85.7 | Confident | 106 Ų | 106 | 87.4 Ų | 87.4 | 50% | 0.495 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 170.4 | -76.7 | 176.5 | -5.8 | 0 | 0 | 111.4 | L66 A67 Y72 R73 Q74 | L66-Q70 HydrophobicContact CD1-CG 4.24Å; L66-Q70 HydrophobicContact CG-CG 4.43Å; L66-Q70 WeakPolarHBondContact O-CB 3.33Å; L66-Q70 VanDerWaalsContact O-CG 3.27Å; L66-Q70 WeakPolarHBondContact O-CG 3.43Å; L66-Q70 PolarHBondContact O-N 3.38Å; A67-Q70 PolarHBondContact O-N 3.17Å; Q70-Y72 VanDerWaalsContact C-N 3.34Å; Q70-Y72 PolarHBondContact O-N 2.02Å; Q70-R73 PolarHBondContact O-N 3.01Å; Q70-Q74 WeakPolarHBondContact O-CB 3.48Å; Q70-Q74 PolarHBondContact O-N 2.87Å |
| 71 | T | 88.7 | Confident | 83.6 | Confident | 69 Ų | 69 | 86.1 Ų | 86.1 | 42% | 0.423 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 175.6 | -63 | 0 | 0 | 0 | 0 | 111.8 | A67 L68 Q74 M75 | A67-T71 WeakPolarHBondContact O-CB 3.38Å; A67-T71 PolarHBondContact O-N 2.94Å; A67-T71 PolarHBondContact O-OG1 3.42Å; A67-T71 VanDerWaalsContact O-OG1 3.11Å; L68-T71 PolarHBondContact O-N 2.99Å; T71-Q74 PolarHBondContact O-N 3.42Å; T71-M75 HydrophobicContact CG2-CE 3.89Å; T71-M75 WeakPolarHBondContact O-CG 3.43Å; T71-M75 PolarHBondContact O-N 3.12Å |
| 72 | Y | 90 | Very high | 81.4 | Confident | 30 Ų | 30 | 89.3 Ų | 89.3 | 12% | 0.118 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 173.3 | -179.8 | -93.1 | 0 | 0 | 0 | 112.1 | E50 A53 L68 Q70 Q74 M75 C76 K77 | E50-Y72 WeakPolarHBondContact CA-OH 3.45Å; E50-Y72 WeakPolarHBondContact CB-OH 3.48Å; A53-Y72 HydrophobicContact CB-CD1 3.55Å; A53-Y72 HydrophobicContact CB-CD2 4.14Å; A53-Y72 HydrophobicContact CB-CE1 3.49Å; A53-Y72 VanDerWaalsContact CB-CE1 3.49Å; A53-Y72 HydrophobicContact CB-CE2 4.08Å; A53-Y72 HydrophobicContact CB-CG 3.9Å; L68-Y72 PolarHBondContact O-N 3.24Å; Q70-Y72 VanDerWaalsContact C-N 3.34Å; Q70-Y72 PolarHBondContact O-N 2.02Å; Y72-Q74 VanDerWaalsContact C-N 3.34Å; Y72-Q74 PolarHBondContact O-N 3.32Å; Y72-M75 PolarHBondContact O-N 3.21Å; Y72-C76 HydrophobicContact CD1-CB 4.49Å; Y72-C76 HydrophobicContact CD2-CB 4.01Å; Y72-C76 HydrophobicContact CE1-CB 4.18Å; Y72-C76 HydrophobicContact CE2-CB 3.67Å; Y72-C76 HydrophobicContact CG-CB 4.4Å; Y72-C76 WeakPolarHBondContact O-CA 3.39Å; Y72-C76 WeakPolarHBondContact O-CB 3.19Å; Y72-C76 PolarHBondContact O-N 3.05Å; Y72-K77 HydrophobicContact CE1-CG 4.38Å |
| 73 | R | 91.4 | Very high | 79.1 | Confident | 79 Ų | 79 | 88.3 Ų | 88.3 | 30% | 0.298 | 49% | 0.491 | S | S | . | . | I | π-helix | trans | -55.8 | -49.1 | 176.1 | -74.9 | 164.9 | -177.6 | 139.8 | 8.5 | 110.9 | C57 E61 C69 Q70 K77 G78 | C57-R73 PolarHBondContact O-NH2 3.27Å; E61-R73 IonicContact OE1-CZ 2.78Å; E61-R73 IonicContact OE1-NH1 3.41Å; E61-R73 IonicContact OE1-NH2 3.57Å; E61-R73 PolarHBondContact OE1-NH2 2.94Å; E61-R73 IonicContact OE2-CZ 2.66Å; E61-R73 IonicContact OE2-NH1 3.52Å; E61-R73 PolarHBondContact OE2-NH1 3.46Å; E61-R73 IonicContact OE2-NH2 3.23Å; E61-R73 PolarHBondContact OE2-NH2 3.45Å; C69-R73 WeakPolarHBondContact O-CB 3.45Å; C69-R73 WeakPolarHBondContact O-CD 3.47Å; C69-R73 WeakPolarHBondContact O-CG 3.27Å; C69-R73 PolarHBondContact O-N 3.17Å; Q70-R73 PolarHBondContact O-N 3.01Å; R73-K77 PolarHBondContact O-N 3.47Å; R73-G78 PolarHBondContact O-N 3.29Å |
| 74 | Q | 89.2 | Confident | 76.7 | Confident | 156 Ų | 156 | 89.1 Ų | 89.1 | 73% | 0.729 | 49% | 0.487 | S | S | * | . | I | π-helix | trans | -63.1 | -43.3 | -178.4 | -170.6 | 179.2 | 18.9 | 0 | 0 | 113.3 | Q70 T71 Y72 | Q70-Q74 WeakPolarHBondContact O-CB 3.48Å; Q70-Q74 PolarHBondContact O-N 2.87Å; T71-Q74 PolarHBondContact O-N 3.42Å; Y72-Q74 VanDerWaalsContact C-N 3.34Å; Y72-Q74 PolarHBondContact O-N 3.32Å |
| 75 | M | 86.7 | Confident | 74.3 | Confident | 96 Ų | 96 | 83.6 Ų | 83.6 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | I | π-helix | trans | -84.1 | -31.1 | -178.4 | -65.6 | -158 | -59.7 | 0 | 0 | 114.1 | L45 T71 Y72 | L45-M75 HydrophobicContact CD2-CE 4.23Å; T71-M75 HydrophobicContact CG2-CE 3.89Å; T71-M75 WeakPolarHBondContact O-CG 3.43Å; T71-M75 PolarHBondContact O-N 3.12Å; Y72-M75 PolarHBondContact O-N 3.21Å |
| 76 | C | 89.6 | Confident | 72.2 | Confident | 34 Ų | 34 | 81.8 Ų | 81.8 | 23% | 0.23 | 47% | 0.472 | C | S | . | . | I | π-helix | trans | -117.9 | -26.5 | -164.7 | -60.9 | 0 | 0 | 0 | 0 | 115.4 | C46 Y72 | C46-C76 WeakPolarHBondContact CA-SG 3.4Å; C46-C76 HydrophobicContact CB-CB 3.55Å; C46-C76 WeakPolarHBondContact CB-SG 3.15Å; C46-C76 WeakPolarHBondContact SG-CA 3.24Å; C46-C76 WeakPolarHBondContact SG-CB 3.43Å; C46-C76 CovalentContact SG-SG 2.03Å; C46-C76 PolarHBondContact SG-SG 2.77Å; Y72-C76 HydrophobicContact CD1-CB 4.49Å; Y72-C76 HydrophobicContact CD2-CB 4.01Å; Y72-C76 HydrophobicContact CE1-CB 4.18Å; Y72-C76 HydrophobicContact CE2-CB 3.67Å; Y72-C76 HydrophobicContact CG-CB 4.4Å; Y72-C76 WeakPolarHBondContact O-CA 3.39Å; Y72-C76 WeakPolarHBondContact O-CB 3.19Å; Y72-C76 PolarHBondContact O-N 3.05Å |
| 77 | K | 81.4 | Confident | 70.2 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | I | π-helix | trans | -100.3 | -15 | 173.7 | -69.7 | -164.1 | 170.2 | -170.3 | 0 | 113.4 | Y72 R73 Q80 | Y72-K77 HydrophobicContact CE1-CG 4.38Å; R73-K77 PolarHBondContact O-N 3.47Å; K77-Q80 HydrophobicContact CB-CG 4.1Å; K77-Q80 WeakPolarHBondContact O-CG 3.47Å |
| 78 | G | 73.4 | Confident | 68.2 | Low | 33 Ų | 33 | 84.3 Ų | 84.3 | 34% | 0.34 | 49% | 0.488 | S | S | . | . | trans | 65.5 | -171.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R73 Q80 | R73-G78 PolarHBondContact O-N 3.29Å; G78-Q80 PolarHBondContact O-N 2.03Å | ||
| 79 | P | 61.4 | Low | 66.5 | Low | 91 Ų | 91 | 84.5 Ų | 84.5 | 59% | 0.591 | 49% | 0.486 | S | S | * | . | trans | -67.6 | 104.1 | 171.9 | -15.5 | 30.7 | 0 | 0 | 0 | 109.8 | S84 | P79-S84 PolarHBondContact O-OG 3.25Š| ||
| 80 | Q | 53.2 | Low | 64.9 | Low | 136 Ų | 136 | 90.1 Ų | 90.1 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | trans | -95.1 | 10 | 175.1 | -66 | -150.1 | -35.2 | 0 | 0 | 113.6 | K77 G78 | K77-Q80 HydrophobicContact CB-CG 4.1Å; K77-Q80 WeakPolarHBondContact O-CG 3.47Å; G78-Q80 PolarHBondContact O-N 2.03Å | ||
| 81 | D | 47.5 | Very low | 63.6 | Low | 128 Ų | 128 | 91 Ų | 91 | 68% | 0.684 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -76.5 | 137.3 | 163.7 | -59.5 | -57.7 | 0 | 0 | 0 | 109.6 | H83 | D81-H83 PolarHBondContact O-N 2.76Š|
| 82 | G | 42.2 | Very low | 62.7 | Low | 84 Ų | 84 | 91.3 Ų | 91.3 | 87% | 0.866 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 31.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 83 | H | 43 | Very low | 62.3 | Low | 151 Ų | 151 | 96 Ų | 96 | 70% | 0.699 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 9.7 | -179.9 | -76.6 | 78.2 | 0 | 0 | 0 | 113.9 | D81 G85 S86 | D81-H83 PolarHBondContact O-N 2.76Å; H83-G85 PolarHBondContact O-N 3.32Å; H83-S86 WeakPolarHBondContact O-CB 3.46Å; H83-S86 PolarHBondContact O-N 3.15Å; H83-S86 PolarHBondContact O-OG 2.74Å; H83-S86 VanDerWaalsContact O-OG 3.05Å |
| 84 | S | 40.8 | Very low | 61.9 | Low | 80 Ų | 80 | 95.4 Ų | 95.4 | 56% | 0.559 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 9.2 | -175 | -61.1 | 0 | 0 | 0 | 0 | 116.8 | P79 | P79-S84 PolarHBondContact O-OG 3.25Š|
| 85 | G | 38.1 | Very low | 61.5 | Low | 58 Ų | 58 | 91.3 Ų | 91.3 | 60% | 0.598 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -23.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H83 | H83-G85 PolarHBondContact O-N 3.32Š|
| 86 | S | 44.7 | Very low | 61.5 | Low | 47 Ų | 47 | 88.5 Ų | 88.5 | 33% | 0.329 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74.9 | -37.3 | -170.9 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | H83 A88 Q89 E90 | H83-S86 WeakPolarHBondContact O-CB 3.46Å; H83-S86 PolarHBondContact O-N 3.15Å; H83-S86 PolarHBondContact O-OG 2.74Å; H83-S86 VanDerWaalsContact O-OG 3.05Å; S86-A88 VanDerWaalsContact C-N 3.3Å; S86-A88 PolarHBondContact O-N 3.04Å; S86-Q89 CarbonylContact O-C 3.42Å; S86-Q89 WeakPolarHBondContact O-CA 3.43Å; S86-Q89 WeakPolarHBondContact O-CB 3.31Å; S86-Q89 PolarHBondContact O-N 2.67Å; S86-E90 WeakPolarHBondContact O-CB 3.38Å; S86-E90 PolarHBondContact O-N 3.33Å |
| 87 | I | 49.6 | Very low | 61.5 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 46% | 0.456 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | -170.3 | -61.9 | 171.5 | 0 | 0 | 0 | 111.8 | Q91 | I87-Q91 WeakPolarHBondContact O-CB 3.4Å; I87-Q91 WeakPolarHBondContact O-CG 3.14Å; I87-Q91 PolarHBondContact O-N 3.17Å |
| 88 | A | 47.7 | Very low | 62 | Low | 74 Ų | 74 | 85.2 Ų | 85.2 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.5 | -39.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S86 S92 | S86-A88 VanDerWaalsContact C-N 3.3Å; S86-A88 PolarHBondContact O-N 3.04Å; A88-S92 WeakPolarHBondContact O-CB 3.41Å; A88-S92 PolarHBondContact O-N 2.93Å |
| 89 | Q | 52.7 | Low | 62.7 | Low | 130 Ų | 130 | 94.1 Ų | 94.1 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.8 | -34.1 | 173.5 | -98.9 | -173 | -14.5 | 0 | 0 | 112.9 | S86 S92 Q93 | S86-Q89 CarbonylContact O-C 3.42Å; S86-Q89 WeakPolarHBondContact O-CA 3.43Å; S86-Q89 WeakPolarHBondContact O-CB 3.31Å; S86-Q89 PolarHBondContact O-N 2.67Å; Q89-S92 PolarHBondContact O-N 2.78Å; Q89-Q93 WeakPolarHBondContact O-CB 3.29Å; Q89-Q93 VanDerWaalsContact O-CG 3.31Å; Q89-Q93 WeakPolarHBondContact O-CG 3.48Å; Q89-Q93 PolarHBondContact O-N 3.41Å |
| 90 | E | 59.7 | Low | 64.1 | Low | 120 Ų | 120 | 98.7 Ų | 98.7 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.2 | -42.3 | -178.5 | -170.9 | 170.8 | -165.1 | 0 | 0 | 110.2 | S86 S92 Q93 Q94 | S86-E90 WeakPolarHBondContact O-CB 3.38Å; S86-E90 PolarHBondContact O-N 3.33Å; E90-S92 VanDerWaalsContact C-N 3.29Å; E90-S92 PolarHBondContact O-N 2.82Å; E90-Q93 PolarHBondContact O-N 3.36Å; E90-Q94 WeakPolarHBondContact O-CB 2.99Å; E90-Q94 PolarHBondContact O-N 2.93Å |
| 91 | Q | 64.2 | Low | 65.9 | Low | 126 Ų | 126 | 94.2 Ų | 94.2 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.3 | -36.3 | 168.6 | -71.2 | 179.3 | 8.4 | 0 | 0 | 112.1 | I87 S95 | I87-Q91 WeakPolarHBondContact O-CB 3.4Å; I87-Q91 WeakPolarHBondContact O-CG 3.14Å; I87-Q91 PolarHBondContact O-N 3.17Å; Q91-S95 WeakPolarHBondContact O-CB 3.39Å; Q91-S95 PolarHBondContact O-N 2.03Å; Q91-S95 PolarHBondContact O-OG 3.1Å |
| 92 | S | 71.1 | Confident | 67.9 | Low | 74 Ų | 74 | 89.9 Ų | 89.9 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 172.8 | -178 | 0 | 0 | 0 | 0 | 112.3 | A88 Q89 E90 S95 S96 | A88-S92 WeakPolarHBondContact O-CB 3.41Å; A88-S92 PolarHBondContact O-N 2.93Å; Q89-S92 PolarHBondContact O-N 2.78Å; E90-S92 VanDerWaalsContact C-N 3.29Å; E90-S92 PolarHBondContact O-N 2.82Å; S92-S95 PolarHBondContact O-OG 2.83Å; S92-S95 VanDerWaalsContact O-OG 3.05Å; S92-S96 VanDerWaalsContact O-CB 3.27Å; S92-S96 WeakPolarHBondContact O-CB 3.36Å; S92-S96 PolarHBondContact O-N 3.05Å; S92-S96 PolarHBondContact O-OG 2.97Å |
| 93 | Q | 81 | Confident | 70 | Confident | 128 Ų | 128 | 91.7 Ų | 91.7 | 60% | 0.598 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 175.7 | -77.9 | -173.8 | 21.2 | 0 | 0 | 111.4 | Q89 E90 S96 Y97 | Q89-Q93 WeakPolarHBondContact O-CB 3.29Å; Q89-Q93 VanDerWaalsContact O-CG 3.31Å; Q89-Q93 WeakPolarHBondContact O-CG 3.48Å; Q89-Q93 PolarHBondContact O-N 3.41Å; E90-Q93 PolarHBondContact O-N 3.36Å; Q93-S96 CarbonylContact O-C 3.54Å; Q93-S96 PolarHBondContact O-N 2.64Å; Q93-S96 PolarHBondContact O-OG 3.22Å; Q93-Y97 VanDerWaalsContact O-CB 3.28Å; Q93-Y97 WeakPolarHBondContact O-CB 2.93Å; Q93-Y97 PolarHBondContact O-N 2.75Å |
| 94 | Q | 82.8 | Confident | 72 | Confident | 68 Ų | 68 | 86 Ų | 86 | 32% | 0.318 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 178.4 | -174.4 | 171.3 | 13.1 | 0 | 0 | 111.1 | E90 S96 Y97 C98 K127 | E90-Q94 WeakPolarHBondContact O-CB 2.99Å; E90-Q94 PolarHBondContact O-N 2.93Å; Q94-S96 VanDerWaalsContact C-N 3.35Å; Q94-S96 PolarHBondContact O-N 2.84Å; Q94-Y97 WeakPolarHBondContact O-CB 3.44Å; Q94-Y97 PolarHBondContact O-N 2.68Å; Q94-Y97 VanDerWaalsContact O-N 3.14Å; Q94-C98 PolarHBondContact O-N 3.44Å; Q94-C98 PolarHBondContact O-SG 2.77Å; Q94-K127 PolarHBondContact NE2-O 2.77Å |
| 95 | S | 81.8 | Confident | 74.3 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 49% | 0.49 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 174.2 | 57 | 0 | 0 | 0 | 0 | 112.4 | Q91 S92 Y97 R99 | Q91-S95 WeakPolarHBondContact O-CB 3.39Å; Q91-S95 PolarHBondContact O-N 2.03Å; Q91-S95 PolarHBondContact O-OG 3.1Å; S92-S95 PolarHBondContact O-OG 2.83Å; S92-S95 VanDerWaalsContact O-OG 3.05Å; S95-Y97 VanDerWaalsContact C-N 3.32Å; S95-Y97 PolarHBondContact O-N 3.42Å; S95-R99 VanDerWaalsContact O-CB 3.24Å; S95-R99 WeakPolarHBondContact O-CB 3.24Å; S95-R99 PolarHBondContact O-N 2.77Å |
| 96 | S | 86.4 | Confident | 76.4 | Confident | 37 Ų | 37 | 88 Ų | 88 | 26% | 0.259 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.3 | -29.1 | 173.4 | 87.2 | 0 | 0 | 0 | 0 | 113.6 | S92 Q93 Q94 R100 | S92-S96 VanDerWaalsContact O-CB 3.27Å; S92-S96 WeakPolarHBondContact O-CB 3.36Å; S92-S96 PolarHBondContact O-N 3.05Å; S92-S96 PolarHBondContact O-OG 2.97Å; Q93-S96 CarbonylContact O-C 3.54Å; Q93-S96 PolarHBondContact O-N 2.64Å; Q93-S96 PolarHBondContact O-OG 3.22Å; Q94-S96 VanDerWaalsContact C-N 3.35Å; Q94-S96 PolarHBondContact O-N 2.84Å; S96-R100 WeakPolarHBondContact O-CB 2.97Å; S96-R100 VanDerWaalsContact O-CG 3.3Å; S96-R100 WeakPolarHBondContact O-CG 3.38Å; S96-R100 PolarHBondContact O-N 3.24Å; S96-R100 PolarHBondContact O-NE 3.49Å; S96-R100 PolarHBondContact OG-NH2 2.9Å |
| 97 | Y | 89.5 | Confident | 78.2 | Confident | 51 Ų | 51 | 89.7 Ų | 89.7 | 20% | 0.2 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -74.8 | -48.6 | 176.8 | 167.6 | -95.9 | 0 | 0 | 0 | 109.6 | Q93 Q94 S95 R99 R100 N101 Y124 K127 | Q93-Y97 VanDerWaalsContact O-CB 3.28Å; Q93-Y97 WeakPolarHBondContact O-CB 2.93Å; Q93-Y97 PolarHBondContact O-N 2.75Å; Q94-Y97 WeakPolarHBondContact O-CB 3.44Å; Q94-Y97 PolarHBondContact O-N 2.68Å; Q94-Y97 VanDerWaalsContact O-N 3.14Å; S95-Y97 VanDerWaalsContact C-N 3.32Å; S95-Y97 PolarHBondContact O-N 3.42Å; Y97-R99 PolarHBondContact O-N 3.27Å; Y97-R100 PolarHBondContact O-N 2.75Å; Y97-N101 VanDerWaalsContact CD2-ND2 3.31Å; Y97-N101 WeakPolarHBondContact CD2-ND2 3.02Å; Y97-N101 WeakPolarHBondContact CE2-ND2 3.36Å; Y97-N101 WeakPolarHBondContact O-CB 3.16Å; Y97-N101 PolarHBondContact O-N 3.31Å; Y97-N101 PolarHBondContact O-ND2 3.14Å; Y97-Y124 HydrophobicContact CE1-CD2 4.18Å; Y97-K127 HydrophobicContact CD1-CB 4.5Å; Y97-K127 HydrophobicContact CD1-CD 4.35Å; Y97-K127 HydrophobicContact CE1-CB 4.33Å; Y97-K127 HydrophobicContact CE1-CD 4.11Å |
| 98 | C | 91.2 | Very high | 79.8 | Confident | 14 Ų | 14 | 92.3 Ų | 92.3 | 10% | 0.095 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 175.5 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | Q94 R100 N101 S102 Y124 C128 | Q94-C98 PolarHBondContact O-N 3.44Å; Q94-C98 PolarHBondContact O-SG 2.77Å; C98-R100 VanDerWaalsContact C-N 3.29Å; C98-R100 PolarHBondContact O-N 2.76Å; C98-N101 PolarHBondContact O-N 2.92Å; C98-S102 WeakPolarHBondContact O-CB 3.35Å; C98-S102 PolarHBondContact O-N 3.44Å; C98-Y124 HydrophobicContact CB-CE2 4.45Å; C98-Y124 PolarHBondContact O-OH 3.33Å; C98-C128 WeakPolarHBondContact CA-SG 3.43Å; C98-C128 HydrophobicContact CB-CB 3.82Å; C98-C128 WeakPolarHBondContact CB-SG 3.29Å; C98-C128 WeakPolarHBondContact SG-CA 3.3Å; C98-C128 WeakPolarHBondContact SG-CB 3.34Å; C98-C128 CovalentContact SG-SG 2.03Å; C98-C128 PolarHBondContact SG-SG 3.49Å |
| 99 | R | 89.1 | Confident | 81.7 | Confident | 220 Ų | 220 | 89.8 Ų | 89.8 | 83% | 0.83 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.7 | -25.7 | 179.1 | -169.6 | 173.8 | -177.4 | 179.6 | 1.4 | 114.3 | S95 Y97 | S95-R99 VanDerWaalsContact O-CB 3.24Å; S95-R99 WeakPolarHBondContact O-CB 3.24Å; S95-R99 PolarHBondContact O-N 2.77Å; Y97-R99 PolarHBondContact O-N 3.27Å |
| 100 | R | 89.9 | Confident | 82.9 | Confident | 187 Ų | 187 | 88.8 Ų | 88.8 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -85.8 | -32.5 | 174.9 | -79 | -178.5 | -78 | -179.4 | -6.6 | 113.3 | S96 Y97 C98 | S96-R100 WeakPolarHBondContact O-CB 2.97Å; S96-R100 VanDerWaalsContact O-CG 3.3Å; S96-R100 WeakPolarHBondContact O-CG 3.38Å; S96-R100 PolarHBondContact O-N 3.24Å; S96-R100 PolarHBondContact O-NE 3.49Å; S96-R100 PolarHBondContact OG-NH2 2.9Å; Y97-R100 PolarHBondContact O-N 2.75Å; C98-R100 VanDerWaalsContact C-N 3.29Å; C98-R100 PolarHBondContact O-N 2.76Å |
| 101 | N | 91.3 | Very high | 83.5 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 23% | 0.23 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -99.1 | -2.7 | -174.7 | -68 | -89.2 | 0 | 0 | 0 | 113.6 | Y97 C98 N103 A104 Y105 F120 Y124 | Y97-N101 VanDerWaalsContact CD2-ND2 3.31Å; Y97-N101 WeakPolarHBondContact CD2-ND2 3.02Å; Y97-N101 WeakPolarHBondContact CE2-ND2 3.36Å; Y97-N101 WeakPolarHBondContact O-CB 3.16Å; Y97-N101 PolarHBondContact O-N 3.31Å; Y97-N101 PolarHBondContact O-ND2 3.14Å; C98-N101 PolarHBondContact O-N 2.92Å; N101-N103 PolarHBondContact O-N 2.87Å; N101-A104 PolarHBondContact O-N 2.93Å; N101-Y105 PolarHBondContact O-N 3.26Å; N101-F120 HydrophobicContact CB-CE2 4.14Å; N101-F120 HydrophobicContact CB-CZ 4.13Å; N101-Y124 HydrophobicContact CB-CD2 3.74Å; N101-Y124 HydrophobicContact CB-CE2 3.75Å |
| 102 | S | 89.1 | Confident | 84 | Confident | 36 Ų | 36 | 90 Ų | 90 | 25% | 0.252 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55.5 | -45.8 | -178.9 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | C98 Y105 M106 Y124 | C98-S102 WeakPolarHBondContact O-CB 3.35Å; C98-S102 PolarHBondContact O-N 3.44Å; S102-Y105 PolarHBondContact O-N 2.93Å; S102-M106 VanDerWaalsContact O-CG 3.32Å; S102-M106 WeakPolarHBondContact O-CG 3.34Å; S102-M106 PolarHBondContact O-N 2.86Å; S102-Y124 WeakPolarHBondContact CA-OH 3.36Å |
| 103 | N | 86.6 | Confident | 84.4 | Confident | 123 Ų | 123 | 88.3 Ų | 88.3 | 66% | 0.658 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.1 | -43.8 | 179.7 | -69.1 | 10.3 | 0 | 0 | 0 | 111.2 | N101 Y105 M106 T107 | N101-N103 PolarHBondContact O-N 2.87Å; N103-Y105 VanDerWaalsContact C-N 3.29Å; N103-Y105 PolarHBondContact O-N 3.29Å; N103-M106 PolarHBondContact O-N 3.49Å; N103-T107 PolarHBondContact O-N 3.44Å; N103-T107 PolarHBondContact O-OG1 2.9Å |
| 104 | A | 85.6 | Confident | 84.4 | Confident | 31 Ų | 31 | 89.8 Ų | 89.8 | 26% | 0.256 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62 | -36 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N101 Y108 F120 | N101-A104 PolarHBondContact O-N 2.93Å; A104-Y108 HydrophobicContact CB-CD2 4.11Å; A104-Y108 HydrophobicContact CB-CE2 4.28Å; A104-Y108 WeakPolarHBondContact O-CB 3.05Å; A104-Y108 WeakPolarHBondContact O-CD2 3.39Å; A104-Y108 PolarHBondContact O-N 3.31Å; A104-F120 HydrophobicContact CB-CE1 4.21Å; A104-F120 HydrophobicContact CB-CZ 3.81Å |
| 105 | Y | 87.7 | Confident | 84.3 | Confident | 67 Ų | 67 | 89.2 Ų | 89.2 | 26% | 0.263 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 172.4 | -179.4 | -93.3 | 0 | 0 | 0 | 112 | N101 S102 N103 T107 C109 Y124 | N101-Y105 PolarHBondContact O-N 3.26Å; S102-Y105 PolarHBondContact O-N 2.93Å; N103-Y105 VanDerWaalsContact C-N 3.29Å; N103-Y105 PolarHBondContact O-N 3.29Å; Y105-T107 VanDerWaalsContact C-N 3.34Å; Y105-T107 PolarHBondContact O-N 3.3Å; Y105-C109 HydrophobicContact CD2-CB 3.65Å; Y105-C109 WeakPolarHBondContact CD2-SG 3.34Å; Y105-C109 HydrophobicContact CE2-CB 3.64Å; Y105-C109 HydrophobicContact CG-CB 4.14Å; Y105-C109 WeakPolarHBondContact O-CA 3.49Å; Y105-C109 WeakPolarHBondContact O-CB 3.27Å; Y105-C109 PolarHBondContact O-N 2.95Å; Y105-Y124 HydrophobicContact CD1-CD1 4.03Å; Y105-Y124 AromaticContact CD1-CE1 3.86Å; Y105-Y124 HydrophobicContact CD1-CE1 3.86Å; Y105-Y124 AromaticContact CD2-CD1 3.16Å; Y105-Y124 HydrophobicContact CD2-CD1 3.16Å; Y105-Y124 AromaticContact CD2-CE1 3.87Å; Y105-Y124 HydrophobicContact CD2-CE1 3.87Å; Y105-Y124 AromaticContact CD2-CG 3.59Å; Y105-Y124 HydrophobicContact CD2-CG 3.59Å; Y105-Y124 HydrophobicContact CE1-CD1 4.41Å; Y105-Y124 HydrophobicContact CE1-CE1 4.39Å; Y105-Y124 AromaticContact CE2-CD1 3.62Å; Y105-Y124 HydrophobicContact CE2-CD1 3.62Å; Y105-Y124 HydrophobicContact CE2-CE1 4.38Å; Y105-Y124 HydrophobicContact CE2-CG 4.31Å; Y105-Y124 AromaticContact CG-CD1 3.39Å; Y105-Y124 HydrophobicContact CG-CD1 3.39Å; Y105-Y124 AromaticContact CG-CE1 3.58Å; Y105-Y124 HydrophobicContact CG-CE1 3.58Å; Y105-Y124 AromaticContact CG-CG 3.95Å; Y105-Y124 HydrophobicContact CG-CG 3.95Å |
| 106 | M | 83 | Confident | 84.3 | Confident | 114 Ų | 114 | 90.8 Ų | 90.8 | 56% | 0.562 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.5 | -44.1 | 176.8 | -67.4 | -64.1 | -66.7 | 0 | 0 | 111.6 | S102 N103 I110 | S102-M106 VanDerWaalsContact O-CG 3.32Å; S102-M106 WeakPolarHBondContact O-CG 3.34Å; S102-M106 PolarHBondContact O-N 2.86Å; N103-M106 PolarHBondContact O-N 3.49Å; M106-I110 HydrophobicContact CB-CD1 4.48Å; M106-I110 HydrophobicContact CE-CD1 3.54Å; M106-I110 WeakPolarHBondContact O-CB 3.5Å; M106-I110 HydrophobicContact SD-CD1 3.69Å |
| 107 | T | 83.1 | Confident | 84.1 | Confident | 82 Ų | 82 | 90.2 Ų | 90.2 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.5 | -53.3 | 179 | -55 | 0 | 0 | 0 | 0 | 112.6 | N103 Y105 | N103-T107 PolarHBondContact O-N 3.44Å; N103-T107 PolarHBondContact O-OG1 2.9Å; Y105-T107 VanDerWaalsContact C-N 3.34Å; Y105-T107 PolarHBondContact O-N 3.3Å |
| 108 | Y | 83.4 | Confident | 83.8 | Confident | 143 Ų | 143 | 91.1 Ų | 91.1 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -91.3 | -16.3 | -168.4 | -60.3 | -59.1 | 0 | 0 | 0 | 115.2 | A104 P113 | A104-Y108 HydrophobicContact CB-CD2 4.11Å; A104-Y108 HydrophobicContact CB-CE2 4.28Å; A104-Y108 WeakPolarHBondContact O-CB 3.05Å; A104-Y108 WeakPolarHBondContact O-CD2 3.39Å; A104-Y108 PolarHBondContact O-N 3.31Å; Y108-P113 WeakPolarHBondContact O-CA 3.17Å; Y108-P113 WeakPolarHBondContact O-CB 3.42Å |
| 109 | C | 86.2 | Confident | 83.6 | Confident | 21 Ų | 21 | 97.9 Ų | 97.9 | 14% | 0.142 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -109.5 | -14.7 | -172.7 | -54.6 | 0 | 0 | 0 | 0 | 114.5 | Y105 C121 | Y105-C109 HydrophobicContact CD2-CB 3.65Å; Y105-C109 WeakPolarHBondContact CD2-SG 3.34Å; Y105-C109 HydrophobicContact CE2-CB 3.64Å; Y105-C109 HydrophobicContact CG-CB 4.14Å; Y105-C109 WeakPolarHBondContact O-CA 3.49Å; Y105-C109 WeakPolarHBondContact O-CB 3.27Å; Y105-C109 PolarHBondContact O-N 2.95Å; C109-C121 WeakPolarHBondContact CA-SG 3.44Å; C109-C121 HydrophobicContact CB-CB 3.74Å; C109-C121 WeakPolarHBondContact CB-SG 3.48Å; C109-C121 WeakPolarHBondContact SG-CA 3.45Å; C109-C121 WeakPolarHBondContact SG-CB 3Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 2.89Å |
| 110 | I | 78.6 | Confident | 83.6 | Confident | 109 Ų | 109 | 89.9 Ų | 89.9 | 56% | 0.559 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -87.3 | -45.9 | 172.3 | -60.4 | -179.1 | 0 | 0 | 0 | 109.7 | M106 Q112 | M106-I110 HydrophobicContact CB-CD1 4.48Å; M106-I110 HydrophobicContact CE-CD1 3.54Å; M106-I110 WeakPolarHBondContact O-CB 3.5Å; M106-I110 HydrophobicContact SD-CD1 3.69Å; I110-Q112 PolarHBondContact O-N 3.22Å |
| 111 | E | 71.8 | Confident | 83.7 | Confident | 110 Ų | 110 | 81.6 Ų | 81.6 | 51% | 0.514 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -86 | 83.7 | 176.7 | -63.7 | -176.3 | -178.1 | 0 | 0 | 110.7 | ||
| 112 | Q | 75.3 | Confident | 83.4 | Confident | 162 Ų | 162 | 88.3 Ų | 88.3 | 76% | 0.757 | 46% | 0.456 | S | S | * | . | trans | 28 | 80.2 | 173.2 | -68 | -165.7 | 5.9 | 0 | 0 | 116.2 | I110 Q114 | I110-Q112 PolarHBondContact O-N 3.22Å; Q112-Q114 PolarHBondContact O-N 3.12Å; Q112-Q114 VanDerWaalsContact O-N 3.08Å | ||
| 113 | P | 78.8 | Confident | 83.4 | Confident | 39 Ų | 39 | 90.1 Ų | 90.1 | 25% | 0.253 | 46% | 0.463 | S | S | . | . | trans | -58.2 | 116.1 | 178.8 | 20.2 | -31.9 | 0 | 0 | 0 | 112.1 | Y108 A117 I118 | Y108-P113 WeakPolarHBondContact O-CA 3.17Å; Y108-P113 WeakPolarHBondContact O-CB 3.42Å; P113-A117 HydrophobicContact CB-CB 3.83Å; P113-I118 HydrophobicContact CB-CG1 4.16Å; P113-I118 HydrophobicContact CG-CG1 4.49Å; P113-I118 WeakPolarHBondContact O-CG1 3.38Å | ||
| 114 | Q | 80.6 | Confident | 83.7 | Confident | 158 Ų | 158 | 85.7 Ų | 85.7 | 74% | 0.738 | 44% | 0.437 | S | S | * | . | trans | -98 | 150.8 | 173.8 | -60.7 | -155.9 | 17 | 0 | 0 | 112.2 | Q112 S116 A117 | Q112-Q114 PolarHBondContact O-N 3.12Å; Q112-Q114 VanDerWaalsContact O-N 3.08Å; Q114-S116 PolarHBondContact O-N 2.87Å; Q114-A117 WeakPolarHBondContact O-CB 3.28Å; Q114-A117 PolarHBondContact O-N 3.08Å | ||
| 115 | G | 81.9 | Confident | 83.7 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 58% | 0.577 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | -129 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | A117 I118 | G115-A117 PolarHBondContact O-N 2.87Å; G115-I118 PolarHBondContact O-N 2.88Å |
| 116 | S | 80.6 | Confident | 83.7 | Confident | 103 Ų | 103 | 86.2 Ų | 86.2 | 72% | 0.72 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.8 | -175.8 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | Q114 I118 F119 | Q114-S116 PolarHBondContact O-N 2.87Å; S116-I118 PolarHBondContact O-N 3.04Å; S116-F119 PolarHBondContact O-N 3.41Å; S116-F119 VanDerWaalsContact O-N 3.1Å |
| 117 | A | 82.1 | Confident | 83.8 | Confident | 25 Ų | 25 | 85.2 Ų | 85.2 | 21% | 0.207 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -57.6 | -31.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P113 Q114 G115 F119 F120 C121 | P113-A117 HydrophobicContact CB-CB 3.83Å; Q114-A117 WeakPolarHBondContact O-CB 3.28Å; Q114-A117 PolarHBondContact O-N 3.08Å; G115-A117 PolarHBondContact O-N 2.87Å; A117-F119 PolarHBondContact O-N 3.28Å; A117-F120 WeakPolarHBondContact O-CB 3.35Å; A117-F120 PolarHBondContact O-N 2.97Å; A117-F120 VanDerWaalsContact O-N 3.09Å; A117-C121 PolarHBondContact O-N 3.41Å; A117-C121 PolarHBondContact O-SG 2.83Å |
| 118 | I | 83.6 | Confident | 84 | Confident | 70 Ų | 70 | 81.9 Ų | 81.9 | 36% | 0.359 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.5 | -36.4 | 178.6 | -60.3 | 172.1 | 0 | 0 | 0 | 111.7 | P113 G115 S116 R122 | P113-I118 HydrophobicContact CB-CG1 4.16Å; P113-I118 HydrophobicContact CG-CG1 4.49Å; P113-I118 WeakPolarHBondContact O-CG1 3.38Å; G115-I118 PolarHBondContact O-N 2.88Å; S116-I118 PolarHBondContact O-N 3.04Å; I118-R122 WeakPolarHBondContact O-CB 3.43Å; I118-R122 WeakPolarHBondContact O-CG 3.4Å; I118-R122 PolarHBondContact O-N 3.05Å |
| 119 | F | 86.3 | Confident | 83.4 | Confident | 156 Ų | 156 | 80.3 Ų | 80.3 | 68% | 0.684 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.8 | -40.9 | 177.3 | -68.4 | -85.1 | 0 | 0 | 0 | 112 | S116 A117 N123 | S116-F119 PolarHBondContact O-N 3.41Å; S116-F119 VanDerWaalsContact O-N 3.1Å; A117-F119 PolarHBondContact O-N 3.28Å; F119-N123 VanDerWaalsContact O-CB 3.25Å; F119-N123 WeakPolarHBondContact O-CB 3.33Å; F119-N123 PolarHBondContact O-N 2.92Å |
| 120 | F | 90.8 | Very high | 81.8 | Confident | 52 Ų | 52 | 89.2 Ų | 89.2 | 23% | 0.228 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.4 | -49 | 172.7 | 167.4 | -101.5 | 0 | 0 | 0 | 111 | N101 A104 A117 R122 N123 Y124 | N101-F120 HydrophobicContact CB-CE2 4.14Å; N101-F120 HydrophobicContact CB-CZ 4.13Å; A104-F120 HydrophobicContact CB-CE1 4.21Å; A104-F120 HydrophobicContact CB-CZ 3.81Å; A117-F120 WeakPolarHBondContact O-CB 3.35Å; A117-F120 PolarHBondContact O-N 2.97Å; A117-F120 VanDerWaalsContact O-N 3.09Å; F120-R122 PolarHBondContact O-N 3.28Å; F120-N123 PolarHBondContact O-N 3.43Å; F120-Y124 WeakPolarHBondContact O-CB 3.03Å; F120-Y124 PolarHBondContact O-N 3.45Å |
| 121 | C | 90.4 | Very high | 79.9 | Confident | 14 Ų | 14 | 89.9 Ų | 89.9 | 10% | 0.095 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 179.7 | -59 | 0 | 0 | 0 | 0 | 112.7 | C109 A117 A125 | C109-C121 WeakPolarHBondContact CA-SG 3.44Å; C109-C121 HydrophobicContact CB-CB 3.74Å; C109-C121 WeakPolarHBondContact CB-SG 3.48Å; C109-C121 WeakPolarHBondContact SG-CA 3.45Å; C109-C121 WeakPolarHBondContact SG-CB 3Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 2.89Å; A117-C121 PolarHBondContact O-N 3.41Å; A117-C121 PolarHBondContact O-SG 2.83Å; C121-A125 VanDerWaalsContact O-CB 3.24Å; C121-A125 WeakPolarHBondContact O-CB 3.28Å; C121-A125 PolarHBondContact O-N 3.46Å |
| 122 | R | 86.9 | Confident | 78.7 | Confident | 184 Ų | 184 | 89.8 Ų | 89.8 | 69% | 0.694 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 175.2 | -78 | 178.6 | 167 | -178.3 | -4 | 113 | I118 F120 S126 | I118-R122 WeakPolarHBondContact O-CB 3.43Å; I118-R122 WeakPolarHBondContact O-CG 3.4Å; I118-R122 PolarHBondContact O-N 3.05Å; F120-R122 PolarHBondContact O-N 3.28Å; R122-S126 WeakPolarHBondContact O-CB 3.41Å; R122-S126 PolarHBondContact O-N 3.11Å; R122-S126 PolarHBondContact O-OG 3.03Å |
| 123 | N | 89 | Confident | 76.9 | Confident | 73 Ų | 73 | 89.5 Ų | 89.5 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.1 | -40.6 | 179.9 | -168 | 3 | 0 | 0 | 0 | 111.8 | F119 F120 S126 K127 | F119-N123 VanDerWaalsContact O-CB 3.25Å; F119-N123 WeakPolarHBondContact O-CB 3.33Å; F119-N123 PolarHBondContact O-N 2.92Å; F120-N123 PolarHBondContact O-N 3.43Å; N123-S126 PolarHBondContact O-OG 2.88Å; N123-S126 VanDerWaalsContact O-OG 3.11Å; N123-K127 WeakPolarHBondContact O-CB 3.32Å; N123-K127 WeakPolarHBondContact O-CG 3.27Å; N123-K127 PolarHBondContact O-N 3.38Å; N123-K127 VanDerWaalsContact O-N 3.16Å; N123-K127 VanDerWaalsContact OD1-CE 3.27Å; N123-K127 WeakPolarHBondContact OD1-CE 3.05Å |
| 124 | Y | 91.3 | Very high | 75 | Confident | 30 Ų | 30 | 98.4 Ų | 98.4 | 12% | 0.118 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 171.9 | -174.1 | -82.6 | 0 | 0 | 0 | 110.9 | Y97 C98 N101 S102 Y105 F120 S126 K127 C128 | Y97-Y124 HydrophobicContact CE1-CD2 4.18Å; C98-Y124 HydrophobicContact CB-CE2 4.45Å; C98-Y124 PolarHBondContact O-OH 3.33Å; N101-Y124 HydrophobicContact CB-CD2 3.74Å; N101-Y124 HydrophobicContact CB-CE2 3.75Å; S102-Y124 WeakPolarHBondContact CA-OH 3.36Å; Y105-Y124 HydrophobicContact CD1-CD1 4.03Å; Y105-Y124 AromaticContact CD1-CE1 3.86Å; Y105-Y124 HydrophobicContact CD1-CE1 3.86Å; Y105-Y124 AromaticContact CD2-CD1 3.16Å; Y105-Y124 HydrophobicContact CD2-CD1 3.16Å; Y105-Y124 AromaticContact CD2-CE1 3.87Å; Y105-Y124 HydrophobicContact CD2-CE1 3.87Å; Y105-Y124 AromaticContact CD2-CG 3.59Å; Y105-Y124 HydrophobicContact CD2-CG 3.59Å; Y105-Y124 HydrophobicContact CE1-CD1 4.41Å; Y105-Y124 HydrophobicContact CE1-CE1 4.39Å; Y105-Y124 AromaticContact CE2-CD1 3.62Å; Y105-Y124 HydrophobicContact CE2-CD1 3.62Å; Y105-Y124 HydrophobicContact CE2-CE1 4.38Å; Y105-Y124 HydrophobicContact CE2-CG 4.31Å; Y105-Y124 AromaticContact CG-CD1 3.39Å; Y105-Y124 HydrophobicContact CG-CD1 3.39Å; Y105-Y124 AromaticContact CG-CE1 3.58Å; Y105-Y124 HydrophobicContact CG-CE1 3.58Å; Y105-Y124 AromaticContact CG-CG 3.95Å; Y105-Y124 HydrophobicContact CG-CG 3.95Å; F120-Y124 WeakPolarHBondContact O-CB 3.03Å; F120-Y124 PolarHBondContact O-N 3.45Å; Y124-S126 PolarHBondContact O-N 2.66Å; Y124-K127 PolarHBondContact O-N 2.82Å; Y124-C128 HydrophobicContact CD1-CB 3.93Å; Y124-C128 HydrophobicContact CE1-CB 3.59Å; Y124-C128 HydrophobicContact CE2-CB 4.28Å; Y124-C128 HydrophobicContact CG-CB 4.4Å; Y124-C128 WeakPolarHBondContact O-CB 3.31Å; Y124-C128 PolarHBondContact O-N 3.14Å; Y124-C128 PolarHBondContact O-SG 2.9Å |
| 125 | A | 86.8 | Confident | 73.2 | Confident | 28 Ų | 28 | 96.2 Ų | 96.2 | 23% | 0.231 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C121 K127 T129 | C121-A125 VanDerWaalsContact O-CB 3.24Å; C121-A125 WeakPolarHBondContact O-CB 3.28Å; C121-A125 PolarHBondContact O-N 3.46Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 3.16Å; A125-T129 HydrophobicContact CB-CG2 4.47Å; A125-T129 WeakPolarHBondContact O-CB 3.44Å; A125-T129 VanDerWaalsContact O-CG2 3.28Å; A125-T129 WeakPolarHBondContact O-CG2 3.43Å; A125-T129 PolarHBondContact O-N 3.47Å; A125-T129 PolarHBondContact O-OG1 2.87Å |
| 126 | S | 87 | Confident | 71.3 | Confident | 82 Ų | 82 | 99.2 Ų | 99.2 | 57% | 0.573 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -30.1 | -179.7 | 67.4 | 0 | 0 | 0 | 0 | 113.6 | R122 N123 Y124 | R122-S126 WeakPolarHBondContact O-CB 3.41Å; R122-S126 PolarHBondContact O-N 3.11Å; R122-S126 PolarHBondContact O-OG 3.03Å; N123-S126 PolarHBondContact O-OG 2.88Å; N123-S126 VanDerWaalsContact O-OG 3.11Å; Y124-S126 PolarHBondContact O-N 2.66Å |
| 127 | K | 85.3 | Confident | 69.4 | Low | 92 Ų | 92 | 99.7 Ų | 99.7 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -88.6 | -30.4 | 178.2 | -68.6 | -173 | 176.9 | -167 | 0 | 114.5 | Q94 Y97 N123 Y124 A125 | Q94-K127 PolarHBondContact NE2-O 2.77Å; Y97-K127 HydrophobicContact CD1-CB 4.5Å; Y97-K127 HydrophobicContact CD1-CD 4.35Å; Y97-K127 HydrophobicContact CE1-CB 4.33Å; Y97-K127 HydrophobicContact CE1-CD 4.11Å; N123-K127 WeakPolarHBondContact O-CB 3.32Å; N123-K127 WeakPolarHBondContact O-CG 3.27Å; N123-K127 PolarHBondContact O-N 3.38Å; N123-K127 VanDerWaalsContact O-N 3.16Å; N123-K127 VanDerWaalsContact OD1-CE 3.27Å; N123-K127 WeakPolarHBondContact OD1-CE 3.05Å; Y124-K127 PolarHBondContact O-N 2.82Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 3.16Å |
| 128 | C | 87.3 | Confident | 67.3 | Low | 13 Ų | 13 | 102.4 Ų | 102.4 | 9% | 0.088 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -112.4 | -5.3 | -165.9 | -58 | 0 | 0 | 0 | 0 | 115.2 | C98 Y124 | C98-C128 WeakPolarHBondContact CA-SG 3.43Å; C98-C128 HydrophobicContact CB-CB 3.82Å; C98-C128 WeakPolarHBondContact CB-SG 3.29Å; C98-C128 WeakPolarHBondContact SG-CA 3.3Å; C98-C128 WeakPolarHBondContact SG-CB 3.34Å; C98-C128 CovalentContact SG-SG 2.03Å; C98-C128 PolarHBondContact SG-SG 3.49Å; Y124-C128 HydrophobicContact CD1-CB 3.93Å; Y124-C128 HydrophobicContact CE1-CB 3.59Å; Y124-C128 HydrophobicContact CE2-CB 4.28Å; Y124-C128 HydrophobicContact CG-CB 4.4Å; Y124-C128 WeakPolarHBondContact O-CB 3.31Å; Y124-C128 PolarHBondContact O-N 3.14Å; Y124-C128 PolarHBondContact O-SG 2.9Å |
| 129 | T | 71.4 | Confident | 65 | Low | 109 Ų | 109 | 102.5 Ų | 102.5 | 67% | 0.669 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -90.1 | -0.8 | 178.2 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | A125 | A125-T129 HydrophobicContact CB-CG2 4.47Å; A125-T129 WeakPolarHBondContact O-CB 3.44Å; A125-T129 VanDerWaalsContact O-CG2 3.28Å; A125-T129 WeakPolarHBondContact O-CG2 3.43Å; A125-T129 PolarHBondContact O-N 3.47Å; A125-T129 PolarHBondContact O-OG1 2.87Å |
| 130 | R | 51.7 | Low | 62.6 | Low | 209 Ų | 209 | 101.8 Ų | 101.8 | 79% | 0.789 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -95.2 | 118.4 | 167.2 | -76.1 | -175.9 | 171.9 | -178.2 | -2.2 | 109.8 | ||
| 131 | S | 39.5 | Very low | 59.9 | Low | 123 Ų | 123 | 103.9 Ų | 103.9 | 86% | 0.86 | 61% | 0.606 | S | S | * | * | trans | 59.9 | 80.1 | 165.5 | -50.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 132 | V | 45.1 | Very low | 57.4 | Low | 107 Ų | 107 | 107.9 Ų | 107.9 | 65% | 0.648 | 63% | 0.634 | S | S | * | * | trans | -132.7 | 112.3 | 164.7 | -178.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 133 | D | 38.7 | Very low | 55.2 | Low | 156 Ų | 156 | 106.9 Ų | 106.9 | 83% | 0.834 | 64% | 0.637 | S | S | * | * | trans | -62.8 | 139.7 | 168.9 | -66.9 | -81.6 | 0 | 0 | 0 | 111.3 | P135 | D133-P135 WeakPolarHBondContact O-CD 3.45Š| ||
| 134 | R | 38.4 | Very low | 52.5 | Low | 227 Ų | 227 | 107.4 Ų | 107.4 | 86% | 0.857 | 65% | 0.652 | S | S | * | * | trans | -70.1 | 113.4 | -171.2 | 178.6 | 180 | -178.2 | 167.5 | -1.5 | 112.4 | ||||
| 135 | P | 42.5 | Very low | 50.2 | Low | 111 Ų | 111 | 112.9 Ų | 112.9 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | trans | -76.7 | 143.3 | 164.9 | -7.2 | 27.4 | 0 | 0 | 0 | 109.7 | D133 | D133-P135 WeakPolarHBondContact O-CD 3.45Š| ||
| 136 | T | 41.7 | Very low | 47.7 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 73% | 0.73 | 70% | 0.695 | S | S | * | * | trans | -88 | 138 | -172.7 | -37.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 137 | S | 41.6 | Very low | 45.4 | Very low | 114 Ų | 114 | 114.7 Ų | 114.7 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | trans | 48.3 | 120.6 | 152.8 | 58.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 138 | G | 37.2 | Very low | 43.2 | Very low | 82 Ų | 82 | 118.8 Ų | 118.8 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | 176.2 | 109.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 139 | G | 35.4 | Very low | 41.1 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | trans | 75.2 | 80.8 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 140 | T | 36 | Very low | 39.8 | Very low | 142 Ų | 142 | 122 Ų | 122 | 87% | 0.871 | 72% | 0.721 | S | S | * | * | trans | 16.5 | 131.9 | 136.5 | 50.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 141 | A | 33.7 | Very low | 39 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 79% | 0.793 | 72% | 0.72 | S | S | * | * | 119.2 | 97.4 | 128.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 142 | S | 38.6 | Very low | 38.7 | Very low | 97 Ų | 97 | 117.9 Ų | 117.9 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | -162.3 | 143.3 | 130.9 | -96.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 143 | Q | 40.3 | Very low | 38.4 | Very low | 163 Ų | 163 | 121.4 Ų | 121.4 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | trans | 45 | 100.9 | 150.7 | -53.2 | -161.8 | 52.2 | 0 | 0 | 119.5 | ||||
| 144 | A | 32.5 | Very low | 38.7 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | trans | -69.2 | 129.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 145 | I | 43.4 | Very low | 39 | Very low | 145 Ų | 145 | 109.6 Ų | 109.6 | 74% | 0.744 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -57.6 | 132.5 | 138.5 | -61.4 | 173.3 | 0 | 0 | 0 | 106.3 | P147 | I145-P147 WeakPolarHBondContact O-CD 3.3Š|
| 146 | P | 34.1 | Very low | 39.5 | Very low | 76 Ų | 76 | 105.6 Ų | 105.6 | 49% | 0.494 | 65% | 0.653 | S | S | . | * | trans | -55.3 | 114.4 | -172.1 | 19.6 | -33 | 0 | 0 | 0 | 111.2 | Q148 I149 | P146-Q148 PolarHBondContact O-N 3.42Å; P146-I149 HydrophobicContact CG-CD1 4.05Å; P146-I149 HydrophobicContact CG-CG1 4.48Å; P146-I149 PolarHBondContact O-N 3.04Å | ||
| 147 | P | 38.6 | Very low | 40.1 | Very low | 72 Ų | 72 | 107 Ų | 107 | 47% | 0.468 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | -5.5 | -166.9 | 26.9 | -35.3 | 0 | 0 | 0 | 113.2 | I145 I149 L150 K151 | I145-P147 WeakPolarHBondContact O-CD 3.3Å; P147-I149 VanDerWaalsContact C-N 3.31Å; P147-L150 CarbonylContact O-C 3.53Å; P147-K151 WeakPolarHBondContact O-CB 3.31Å; P147-K151 VanDerWaalsContact O-CG 3.28Å; P147-K151 WeakPolarHBondContact O-CG 3.27Å; P147-K151 PolarHBondContact O-N 3.31Å |
| 148 | Q | 40.1 | Very low | 40.5 | Very low | 177 Ų | 177 | 108 Ų | 108 | 83% | 0.827 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -22.6 | 175.6 | -59.1 | -178.4 | 6.2 | 0 | 0 | 112.9 | P146 | P146-Q148 PolarHBondContact O-N 3.42Š|
| 149 | I | 43.2 | Very low | 41.6 | Very low | 106 Ų | 106 | 108 Ų | 108 | 54% | 0.544 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -82.3 | -25.9 | 178.8 | -54.3 | -178.1 | 0 | 0 | 0 | 111.6 | P146 P147 F169 | P146-I149 HydrophobicContact CG-CD1 4.05Å; P146-I149 HydrophobicContact CG-CG1 4.48Å; P146-I149 PolarHBondContact O-N 3.04Å; P147-I149 VanDerWaalsContact C-N 3.31Å; I149-F169 HydrophobicContact CG2-CZ 4.38Å |
| 150 | L | 44.4 | Very low | 43 | Very low | 84 Ų | 84 | 108 Ų | 108 | 44% | 0.44 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -115.4 | 18.5 | 176.9 | -94.7 | 74.8 | 0 | 0 | 0 | 113.2 | P147 Y188 | P147-L150 CarbonylContact O-C 3.53Å; L150-Y188 HydrophobicContact CD2-CD2 4.24Å; L150-Y188 HydrophobicContact CD2-CE1 4.28Å; L150-Y188 HydrophobicContact CD2-CE2 3.8Å; L150-Y188 HydrophobicContact CG-CD1 4.39Å; L150-Y188 HydrophobicContact CG-CE1 3.8Å; L150-Y188 HydrophobicContact CG-CE2 4.21Å; L150-Y188 PolarHBondContact O-OH 3.22Å |
| 151 | K | 33.2 | Very low | 44.8 | Very low | 176 Ų | 176 | 107.1 Ų | 107.1 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | trans | -118.4 | 61.4 | 166.5 | -75.4 | -170.1 | 171.7 | -170.8 | 0 | 111.6 | P147 | P147-K151 WeakPolarHBondContact O-CB 3.31Å; P147-K151 VanDerWaalsContact O-CG 3.28Å; P147-K151 WeakPolarHBondContact O-CG 3.27Å; P147-K151 PolarHBondContact O-N 3.31Å | ||
| 152 | A | 34.9 | Very low | 46.9 | Very low | 69 Ų | 69 | 105.1 Ų | 105.1 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -123.2 | 140.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | A154 | A152-A154 PolarHBondContact O-N 3.38Å; A152-A154 VanDerWaalsContact O-N 3.16Å |
| 153 | H | 37.7 | Very low | 49 | Very low | 181 Ų | 181 | 104.9 Ų | 104.9 | 84% | 0.838 | 61% | 0.607 | S | S | * | * | trans | -58.8 | 120.3 | 156 | -70.2 | -88.1 | 0 | 0 | 0 | 106 | T155 | H153-T155 PolarHBondContact O-N 3.02Å; H153-T155 PolarHBondContact O-OG1 3.06Å | ||
| 154 | A | 44.6 | Very low | 51 | Low | 53 Ų | 53 | 102.5 Ų | 102.5 | 44% | 0.438 | 60% | 0.598 | S | S | . | * | trans | -77 | 36.7 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A152 V156 | A152-A154 PolarHBondContact O-N 3.38Å; A152-A154 VanDerWaalsContact O-N 3.16Å; A154-V156 VanDerWaalsContact C-N 3.29Å; A154-V156 PolarHBondContact O-N 2.89Å | ||
| 155 | T | 46 | Very low | 53.4 | Low | 82 Ų | 82 | 101.4 Ų | 101.4 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | trans | -65.1 | 91 | 158 | 45.7 | 0 | 0 | 0 | 0 | 108.6 | H153 Q157 | H153-T155 PolarHBondContact O-N 3.02Å; H153-T155 PolarHBondContact O-OG1 3.06Å; T155-Q157 PolarHBondContact O-N 2.03Å; T155-Q157 VanDerWaalsContact O-N 3.13Å | ||
| 156 | V | 53.2 | Low | 55.6 | Low | 28 Ų | 28 | 95.4 Ų | 95.4 | 17% | 0.17 | 55% | 0.551 | C | S | . | * | trans | -53.9 | 114.7 | 171.2 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | A154 T160 L165 Y195 | A154-V156 VanDerWaalsContact C-N 3.29Å; A154-V156 PolarHBondContact O-N 2.89Å; V156-T160 VanDerWaalsContact CG1-OG1 3.27Å; V156-T160 WeakPolarHBondContact CG1-OG1 3.47Å; V156-L165 HydrophobicContact CG1-CD2 4.4Å; V156-L165 HydrophobicContact CG2-CD2 4.38Å; V156-Y195 HydrophobicContact CG2-CE2 4.47Å | ||
| 157 | Q | 53.3 | Low | 58.3 | Low | 149 Ų | 149 | 98.7 Ų | 98.7 | 70% | 0.696 | 56% | 0.56 | S | S | * | * | trans | -63.7 | 133 | -176 | -74.8 | -169 | -8.2 | 0 | 0 | 110.7 | T155 G159 T160 | T155-Q157 PolarHBondContact O-N 2.03Å; T155-Q157 VanDerWaalsContact O-N 3.13Å; Q157-G159 PolarHBondContact O-N 2.91Å; Q157-G159 VanDerWaalsContact O-N 3.08Å; Q157-T160 PolarHBondContact O-N 3.39Å; Q157-T160 PolarHBondContact O-OG1 3.43Å | ||
| 158 | P | 50.8 | Low | 60.7 | Low | 135 Ų | 135 | 103 Ų | 103 | 88% | 0.877 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 112.2 | 177.1 | 27.2 | -33.4 | 0 | 0 | 0 | 109.2 | ||
| 159 | G | 59.1 | Low | 62.9 | Low | 81 Ų | 81 | 97.9 Ų | 97.9 | 84% | 0.835 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.3 | -7.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q157 | Q157-G159 PolarHBondContact O-N 2.91Å; Q157-G159 VanDerWaalsContact O-N 3.08Å |
| 160 | T | 64.6 | Low | 65.2 | Low | 70 Ų | 70 | 100.2 Ų | 100.2 | 43% | 0.429 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -79 | 132.3 | 165.1 | 47 | 0 | 0 | 0 | 0 | 111 | V156 Q157 T162 | V156-T160 VanDerWaalsContact CG1-OG1 3.27Å; V156-T160 WeakPolarHBondContact CG1-OG1 3.47Å; Q157-T160 PolarHBondContact O-N 3.39Å; Q157-T160 PolarHBondContact O-OG1 3.43Å; T160-T162 PolarHBondContact O-N 2.86Å |
| 161 | D | 74.6 | Confident | 67.4 | Low | 125 Ų | 125 | 102.9 Ų | 102.9 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | trans | -65 | 98.8 | 177.7 | -82.5 | -48.8 | 0 | 0 | 0 | 111.1 | S163 L164 L165 | D161-S163 PolarHBondContact O-N 2.9Å; D161-S163 VanDerWaalsContact O-N 3.17Å; D161-L164 HydrophobicContact CB-CB 4.17Å; D161-L164 PolarHBondContact O-N 2.75Å; D161-L164 VanDerWaalsContact O-N 3.17Å; D161-L165 PolarHBondContact O-N 3.12Å; D161-L165 VanDerWaalsContact O-N 3.12Å | ||
| 162 | T | 77.8 | Confident | 70.1 | Confident | 53 Ų | 53 | 97.5 Ų | 97.5 | 33% | 0.325 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.3 | -31 | -178.6 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | T160 L165 C166 | T160-T162 PolarHBondContact O-N 2.86Å; T162-L165 PolarHBondContact O-N 3.24Å; T162-C166 VanDerWaalsContact O-CB 3.24Å; T162-C166 WeakPolarHBondContact O-CB 3Å; T162-C166 PolarHBondContact O-N 2.91Å; T162-C166 PolarHBondContact O-SG 3.01Å |
| 163 | S | 81.7 | Confident | 72.7 | Confident | 92 Ų | 92 | 94.5 Ų | 94.5 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.7 | -51.3 | 175.9 | -163.9 | 0 | 0 | 0 | 0 | 112.3 | D161 L165 C166 E167 | D161-S163 PolarHBondContact O-N 2.9Å; D161-S163 VanDerWaalsContact O-N 3.17Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 3.38Å; S163-C166 PolarHBondContact O-N 2.8Å; S163-E167 PolarHBondContact O-N 3.17Å |
| 164 | L | 84.1 | Confident | 75.1 | Confident | 113 Ų | 113 | 90.8 Ų | 90.8 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.2 | -37.3 | 179.5 | -176.9 | 66 | 0 | 0 | 0 | 111.8 | D161 K168 | D161-L164 HydrophobicContact CB-CB 4.17Å; D161-L164 PolarHBondContact O-N 2.75Å; D161-L164 VanDerWaalsContact O-N 3.17Å; L164-K168 WeakPolarHBondContact O-CB 3.35Å; L164-K168 PolarHBondContact O-N 2.97Å |
| 165 | L | 81.8 | Confident | 77.3 | Confident | 62 Ų | 62 | 94.7 Ų | 94.7 | 33% | 0.325 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 173.4 | -168 | 71.3 | 0 | 0 | 0 | 110.9 | V156 D161 T162 S163 K168 F169 | V156-L165 HydrophobicContact CG1-CD2 4.4Å; V156-L165 HydrophobicContact CG2-CD2 4.38Å; D161-L165 PolarHBondContact O-N 3.12Å; D161-L165 VanDerWaalsContact O-N 3.12Å; T162-L165 PolarHBondContact O-N 3.24Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 3.38Å; L165-K168 PolarHBondContact O-N 3.06Å; L165-F169 HydrophobicContact CD1-CD2 3.88Å; L165-F169 HydrophobicContact CD1-CE2 3.68Å; L165-F169 HydrophobicContact CG-CD2 4.1Å; L165-F169 HydrophobicContact CG-CE2 4.37Å; L165-F169 WeakPolarHBondContact O-CD2 3.13Å; L165-F169 PolarHBondContact O-N 3.26Å |
| 166 | C | 90.6 | Very high | 79.2 | Confident | 20 Ų | 20 | 95.1 Ų | 95.1 | 14% | 0.135 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -66.5 | -37.9 | -179 | -69.6 | 0 | 0 | 0 | 0 | 113.1 | T162 S163 R170 Y192 C196 | T162-C166 VanDerWaalsContact O-CB 3.24Å; T162-C166 WeakPolarHBondContact O-CB 3Å; T162-C166 PolarHBondContact O-N 2.91Å; T162-C166 PolarHBondContact O-SG 3.01Å; S163-C166 PolarHBondContact O-N 2.8Å; C166-R170 WeakPolarHBondContact O-CB 3.18Å; C166-R170 PolarHBondContact O-N 3.41Å; C166-R170 VanDerWaalsContact O-N 3.09Å; C166-Y192 WeakPolarHBondContact O-CE2 3.41Å; C166-C196 WeakPolarHBondContact CA-SG 3.43Å; C166-C196 HydrophobicContact CB-CB 3.53Å; C166-C196 WeakPolarHBondContact CB-SG 3.17Å; C166-C196 WeakPolarHBondContact SG-CA 3.47Å; C166-C196 WeakPolarHBondContact SG-CB 3.18Å; C166-C196 CovalentContact SG-SG 2.02Å; C166-C196 PolarHBondContact SG-SG 3.22Å |
| 167 | E | 90.2 | Very high | 80.9 | Confident | 145 Ų | 145 | 95 Ų | 95 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -50.8 | 172 | -176.8 | 170.3 | -150.9 | 0 | 0 | 111.4 | S163 F169 R170 | S163-E167 PolarHBondContact O-N 3.17Å; E167-F169 VanDerWaalsContact C-N 3.29Å; E167-F169 PolarHBondContact O-N 3.29Å; E167-R170 VanDerWaalsContact O-CB 3.27Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 2.87Å; E167-R170 VanDerWaalsContact O-N 3.09Å |
| 168 | K | 88.4 | Confident | 82.4 | Confident | 162 Ų | 162 | 92.5 Ų | 92.5 | 70% | 0.704 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.4 | -36.5 | -179.6 | -175.5 | 173.8 | -177.9 | 175.3 | 0 | 113.3 | L164 L165 | L164-K168 WeakPolarHBondContact O-CB 3.35Å; L164-K168 PolarHBondContact O-N 2.97Å; L165-K168 PolarHBondContact O-N 3.06Å |
| 169 | F | 87.4 | Confident | 83.7 | Confident | 69 Ų | 69 | 86.7 Ų | 86.7 | 30% | 0.303 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -87 | -9.9 | 178.4 | -81.7 | -79.7 | 0 | 0 | 0 | 114.3 | I149 L165 E167 F171 T172 A173 Y192 | I149-F169 HydrophobicContact CG2-CZ 4.38Å; L165-F169 HydrophobicContact CD1-CD2 3.88Å; L165-F169 HydrophobicContact CD1-CE2 3.68Å; L165-F169 HydrophobicContact CG-CD2 4.1Å; L165-F169 HydrophobicContact CG-CE2 4.37Å; L165-F169 WeakPolarHBondContact O-CD2 3.13Å; L165-F169 PolarHBondContact O-N 3.26Å; E167-F169 VanDerWaalsContact C-N 3.29Å; E167-F169 PolarHBondContact O-N 3.29Å; F169-F171 PolarHBondContact O-N 3Å; F169-T172 WeakPolarHBondContact O-CB 3.39Å; F169-T172 PolarHBondContact O-N 2.76Å; F169-A173 WeakPolarHBondContact O-CB 3.43Å; F169-A173 PolarHBondContact O-N 3.24Å; F169-Y192 HydrophobicContact CB-CD2 3.93Å; F169-Y192 HydrophobicContact CB-CE2 4.01Å |
| 170 | R | 91.9 | Very high | 84.4 | Confident | 155 Ų | 155 | 91.9 Ų | 91.9 | 59% | 0.585 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -54.3 | -56.4 | -174 | -177.9 | 173.7 | -179.1 | 164.7 | 2.9 | 114 | C166 E167 T172 A173 D174 Y192 | C166-R170 WeakPolarHBondContact O-CB 3.18Å; C166-R170 PolarHBondContact O-N 3.41Å; C166-R170 VanDerWaalsContact O-N 3.09Å; E167-R170 VanDerWaalsContact O-CB 3.27Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 2.87Å; E167-R170 VanDerWaalsContact O-N 3.09Å; R170-T172 PolarHBondContact O-N 3.05Å; R170-A173 CarbonylContact O-C 3.6Å; R170-A173 PolarHBondContact O-N 2.98Å; R170-D174 WeakPolarHBondContact CG-OD2 3.02Å; R170-D174 IonicContact NE-OD2 3.7Å; R170-D174 WeakPolarHBondContact O-CB 3.33Å; R170-D174 PolarHBondContact O-N 3.09Å; R170-Y192 WeakPolarHBondContact CA-OH 3.47Å |
| 171 | F | 89.7 | Confident | 85.2 | Confident | 141 Ų | 141 | 89 Ų | 89 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.9 | -30.2 | -177.6 | -176.4 | -109.2 | 0 | 0 | 0 | 113.2 | F169 K175 | F169-F171 PolarHBondContact O-N 3Å; F171-K175 HydrophobicContact CE1-CD 4.27Å; F171-K175 VanDerWaalsContact CE1-NZ 3.27Å; F171-K175 HydrophobicContact CZ-CD 4.4Å; F171-K175 VanDerWaalsContact CZ-CE 3.43Å; F171-K175 WeakPolarHBondContact O-CG 3.38Å; F171-K175 PolarHBondContact O-N 2.97Å |
| 172 | T | 88.9 | Confident | 85.3 | Confident | 62 Ų | 62 | 86.5 Ų | 86.5 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.4 | -42.4 | 174.2 | -56 | 0 | 0 | 0 | 0 | 110.8 | F169 R170 K175 M176 | F169-T172 WeakPolarHBondContact O-CB 3.39Å; F169-T172 PolarHBondContact O-N 2.76Å; R170-T172 PolarHBondContact O-N 3.05Å; T172-K175 PolarHBondContact O-N 3.43Å; T172-M176 HydrophobicContact CG2-CE 3.7Å; T172-M176 WeakPolarHBondContact O-CB 3.49Å; T172-M176 WeakPolarHBondContact O-CG 3.15Å; T172-M176 PolarHBondContact O-N 2.8Å |
| 173 | A | 90 | Very high | 85 | Confident | 7 Ų | 7 | 89.5 Ų | 89.5 | 6% | 0.058 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.5 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | F169 R170 K175 M176 C177 Y192 | F169-A173 WeakPolarHBondContact O-CB 3.43Å; F169-A173 PolarHBondContact O-N 3.24Å; R170-A173 CarbonylContact O-C 3.6Å; R170-A173 PolarHBondContact O-N 2.98Å; A173-K175 PolarHBondContact O-N 2.97Å; A173-K175 VanDerWaalsContact O-N 3.15Å; A173-M176 PolarHBondContact O-N 3.13Å; A173-C177 HydrophobicContact CB-CB 4.36Å; A173-C177 WeakPolarHBondContact O-CA 3.28Å; A173-C177 WeakPolarHBondContact O-CB 3.47Å; A173-C177 PolarHBondContact O-N 3.35Å; A173-Y192 HydrophobicContact CB-CD1 3.41Å; A173-Y192 VanDerWaalsContact CB-CD1 3.41Å; A173-Y192 HydrophobicContact CB-CD2 3.89Å; A173-Y192 HydrophobicContact CB-CE1 3.46Å; A173-Y192 VanDerWaalsContact CB-CE1 3.46Å; A173-Y192 HydrophobicContact CB-CE2 3.95Å; A173-Y192 HydrophobicContact CB-CG 3.64Å |
| 174 | D | 89.2 | Confident | 84.8 | Confident | 102 Ų | 102 | 91.7 Ų | 91.7 | 55% | 0.545 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.2 | -26.4 | 177.4 | -69.6 | -21.2 | 0 | 0 | 0 | 112.1 | R170 | R170-D174 WeakPolarHBondContact CG-OD2 3.02Å; R170-D174 IonicContact NE-OD2 3.7Å; R170-D174 WeakPolarHBondContact O-CB 3.33Å; R170-D174 PolarHBondContact O-N 3.09Å |
| 175 | K | 89.4 | Confident | 84.8 | Confident | 136 Ų | 136 | 87 Ų | 87 | 59% | 0.591 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -89.2 | -42.9 | 175.3 | -74.6 | -178.7 | 173.4 | -176.8 | 0 | 114.4 | F171 T172 A173 | F171-K175 HydrophobicContact CE1-CD 4.27Å; F171-K175 VanDerWaalsContact CE1-NZ 3.27Å; F171-K175 HydrophobicContact CZ-CD 4.4Å; F171-K175 VanDerWaalsContact CZ-CE 3.43Å; F171-K175 WeakPolarHBondContact O-CG 3.38Å; F171-K175 PolarHBondContact O-N 2.97Å; T172-K175 PolarHBondContact O-N 3.43Å; A173-K175 PolarHBondContact O-N 2.97Å; A173-K175 VanDerWaalsContact O-N 3.15Å |
| 176 | M | 87.3 | Confident | 84.8 | Confident | 90 Ų | 90 | 85.7 Ų | 85.7 | 44% | 0.443 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -93.9 | -36.2 | -173.4 | -63.9 | -147.9 | -67.1 | 0 | 0 | 113.3 | T172 A173 V178 E181 V185 | T172-M176 HydrophobicContact CG2-CE 3.7Å; T172-M176 WeakPolarHBondContact O-CB 3.49Å; T172-M176 WeakPolarHBondContact O-CG 3.15Å; T172-M176 PolarHBondContact O-N 2.8Å; A173-M176 PolarHBondContact O-N 3.13Å; M176-V178 PolarHBondContact O-N 2.78Å; M176-E181 WeakPolarHBondContact O-CG 3.32Å; M176-V185 HydrophobicContact CB-CG1 4.01Å; M176-V185 HydrophobicContact CE-CG1 3.83Å; M176-V185 HydrophobicContact SD-CG1 4.11Å; M176-V185 HydrophobicContact SD-CG2 4.44Å |
| 177 | C | 89.2 | Confident | 84.2 | Confident | 26 Ų | 26 | 90 Ų | 90 | 18% | 0.176 | 43% | 0.432 | C | S | . | . | trans | -88.6 | 46.2 | -169.5 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | A173 G179 E181 C189 R193 | A173-C177 HydrophobicContact CB-CB 4.36Å; A173-C177 WeakPolarHBondContact O-CA 3.28Å; A173-C177 WeakPolarHBondContact O-CB 3.47Å; A173-C177 PolarHBondContact O-N 3.35Å; C177-G179 PolarHBondContact O-N 3.38Å; C177-E181 WeakPolarHBondContact CA-OE1 3.37Å; C177-C189 WeakPolarHBondContact CA-SG 3.36Å; C177-C189 HydrophobicContact CB-CB 3.57Å; C177-C189 WeakPolarHBondContact CB-SG 3.21Å; C177-C189 WeakPolarHBondContact SG-CA 3.32Å; C177-C189 WeakPolarHBondContact SG-CB 3.24Å; C177-C189 CovalentContact SG-SG 2.03Å; C177-C189 PolarHBondContact SG-SG 3.24Å; C177-R193 PolarHBondContact O-NH2 2.93Å | ||
| 178 | V | 84.4 | Confident | 83.9 | Confident | 96 Ų | 96 | 87 Ų | 87 | 58% | 0.582 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -77.8 | 4.2 | -178.7 | -59.1 | 0 | 0 | 0 | 0 | 114.1 | M176 | M176-V178 PolarHBondContact O-N 2.78Š|
| 179 | G | 77.2 | Confident | 83.9 | Confident | 13 Ų | 13 | 79.3 Ų | 79.3 | 13% | 0.134 | 38% | 0.381 | C | S | . | . | S | Bend | trans | 91.2 | -14.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | C177 E181 R186 | C177-G179 PolarHBondContact O-N 3.38Å; G179-E181 VanDerWaalsContact C-OE2 3.22Å; G179-E181 WeakPolarHBondContact CA-OE1 3.35Å; G179-E181 PolarHBondContact N-OE1 3.03Å; G179-R186 PolarHBondContact O-NH2 3.16Å |
| 180 | F | 74.8 | Confident | 83.8 | Confident | 191 Ų | 191 | 76.6 Ų | 76.6 | 84% | 0.838 | 37% | 0.37 | S | S | * | . | trans | -112.7 | 40.4 | 177 | -61.2 | -79.9 | 0 | 0 | 0 | 111.8 | ||||
| 181 | E | 81.2 | Confident | 83.5 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | trans | -74.6 | 148.4 | -172.6 | -45.2 | 90.2 | 165 | 0 | 0 | 112.3 | M176 C177 G179 V185 R186 C189 R193 | M176-E181 WeakPolarHBondContact O-CG 3.32Å; C177-E181 WeakPolarHBondContact CA-OE1 3.37Å; G179-E181 VanDerWaalsContact C-OE2 3.22Å; G179-E181 WeakPolarHBondContact CA-OE1 3.35Å; G179-E181 PolarHBondContact N-OE1 3.03Å; E181-V185 HydrophobicContact CB-CB 4.4Å; E181-V185 HydrophobicContact CB-CG1 4.46Å; E181-R186 HydrophobicContact CB-CB 4.09Å; E181-R186 IonicContact OE2-CZ 3.52Å; E181-R186 IonicContact OE2-NE 2.8Å; E181-R186 PolarHBondContact OE2-NE 3.34Å; E181-R186 IonicContact OE2-NH2 3.38Å; E181-R186 PolarHBondContact OE2-NH2 3.1Å; E181-C189 HydrophobicContact CG-CB 4.39Å; E181-R193 IonicContact OE1-CZ 2.88Å; E181-R193 VanDerWaalsContact OE1-CZ 3.23Å; E181-R193 IonicContact OE1-NH1 3.96Å; E181-R193 PolarHBondContact OE1-NH1 3.49Å; E181-R193 IonicContact OE1-NH2 2.67Å; E181-R193 PolarHBondContact OE1-NH2 3.3Å; E181-R193 IonicContact OE2-NH1 3.51Å | ||
| 182 | P | 75.9 | Confident | 83.4 | Confident | 72 Ų | 72 | 65.7 Ų | 65.7 | 47% | 0.468 | 33% | 0.33 | S | S | . | . | trans | -62.7 | 146.3 | 165.9 | 29.3 | -34.6 | 0 | 0 | 0 | 110.1 | H184 V185 R186 | P182-H184 VanDerWaalsContact C-N 3.27Å; P182-H184 PolarHBondContact O-N 3.28Å; P182-H184 VanDerWaalsContact O-N 3.08Å; P182-V185 HydrophobicContact CG-CB 4.14Å; P182-V185 HydrophobicContact CG-CG2 3.87Å; P182-V185 PolarHBondContact O-N 2.8Å; P182-R186 PolarHBondContact O-N 2.99Å; P182-R186 VanDerWaalsContact O-N 3.16Å | ||
| 183 | Q | 71.9 | Confident | 83.4 | Confident | 116 Ų | 116 | 63.1 Ų | 63.1 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -46 | -45.1 | -172.4 | 174.3 | 159.3 | 20.2 | 0 | 0 | 114.3 | V185 R186 I204 | Q183-V185 VanDerWaalsContact C-N 3.27Å; Q183-V185 PolarHBondContact O-N 3.24Å; Q183-R186 PolarHBondContact O-N 2.97Å; Q183-I204 HydrophobicContact CB-CG2 4.14Å; Q183-I204 HydrophobicContact CG-CG2 3.61Å |
| 184 | H | 77.7 | Confident | 83.2 | Confident | 137 Ų | 137 | 64 Ų | 64 | 63% | 0.634 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.8 | -15.9 | -178.8 | 67.1 | -93.3 | 0 | 0 | 0 | 114.9 | P182 Y188 | P182-H184 VanDerWaalsContact C-N 3.27Å; P182-H184 PolarHBondContact O-N 3.28Å; P182-H184 VanDerWaalsContact O-N 3.08Å; H184-Y188 WeakPolarHBondContact O-CD2 3.44Å; H184-Y188 VanDerWaalsContact O-CE2 3.32Å; H184-Y188 WeakPolarHBondContact O-CE2 3.21Å |
| 185 | V | 83.4 | Confident | 83 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 9% | 0.085 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -96.4 | -29.8 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | M176 E181 P182 Q183 E187 Y188 C189 | M176-V185 HydrophobicContact CB-CG1 4.01Å; M176-V185 HydrophobicContact CE-CG1 3.83Å; M176-V185 HydrophobicContact SD-CG1 4.11Å; M176-V185 HydrophobicContact SD-CG2 4.44Å; E181-V185 HydrophobicContact CB-CB 4.4Å; E181-V185 HydrophobicContact CB-CG1 4.46Å; P182-V185 HydrophobicContact CG-CB 4.14Å; P182-V185 HydrophobicContact CG-CG2 3.87Å; P182-V185 PolarHBondContact O-N 2.8Å; Q183-V185 VanDerWaalsContact C-N 3.27Å; Q183-V185 PolarHBondContact O-N 3.24Å; V185-E187 VanDerWaalsContact C-N 3.29Å; V185-E187 PolarHBondContact O-N 2.9Å; V185-Y188 WeakPolarHBondContact O-CB 3.44Å; V185-Y188 PolarHBondContact O-N 3.49Å; V185-Y188 VanDerWaalsContact O-N 3.12Å; V185-C189 PolarHBondContact O-N 2.85Å |
| 186 | R | 81.3 | Confident | 83.1 | Confident | 35 Ų | 35 | 56 Ų | 56 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -30.4 | -172.2 | -170.4 | 172.7 | -90.9 | 167.4 | -7 | 113.7 | G179 E181 P182 Q183 C189 N190 P203 I204 | G179-R186 PolarHBondContact O-NH2 3.16Å; E181-R186 HydrophobicContact CB-CB 4.09Å; E181-R186 IonicContact OE2-CZ 3.52Å; E181-R186 IonicContact OE2-NE 2.8Å; E181-R186 PolarHBondContact OE2-NE 3.34Å; E181-R186 IonicContact OE2-NH2 3.38Å; E181-R186 PolarHBondContact OE2-NH2 3.1Å; P182-R186 PolarHBondContact O-N 2.99Å; P182-R186 VanDerWaalsContact O-N 3.16Å; Q183-R186 PolarHBondContact O-N 2.97Å; R186-C189 PolarHBondContact O-N 3.43Å; R186-N190 WeakPolarHBondContact O-CB 3.32Å; R186-N190 VanDerWaalsContact O-CG 3.3Å; R186-N190 PolarHBondContact O-N 3.48Å; R186-P203 PolarHBondContact NH1-O 3.13Å; R186-P203 VanDerWaalsContact NH1-O 3.09Å; R186-I204 HydrophobicContact CB-CG1 4.07Å; R186-I204 VanDerWaalsContact CD-CA 3.46Å; R186-I204 HydrophobicContact CG-CG1 3.81Å; R186-I204 PolarHBondContact NH1-O 3.29Å |
| 187 | E | 79.9 | Confident | 83.2 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.3 | -51.9 | 171.6 | -68.1 | 177.4 | -165.6 | 0 | 0 | 111.3 | V185 C189 N190 V191 I204 | V185-E187 VanDerWaalsContact C-N 3.29Å; V185-E187 PolarHBondContact O-N 2.9Å; E187-C189 VanDerWaalsContact C-N 3.34Å; E187-C189 PolarHBondContact O-N 3.08Å; E187-N190 PolarHBondContact O-N 3.03Å; E187-N190 VanDerWaalsContact O-N 3.16Å; E187-V191 WeakPolarHBondContact O-CG2 3.44Å; E187-V191 PolarHBondContact O-N 3.4Å; E187-I204 HydrophobicContact CG-CD1 3.8Å |
| 188 | Y | 82.7 | Confident | 82.9 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 175.7 | -57.6 | -83 | 0 | 0 | 0 | 112.5 | L150 H184 V185 N190 V191 Y192 | L150-Y188 HydrophobicContact CD2-CD2 4.24Å; L150-Y188 HydrophobicContact CD2-CE1 4.28Å; L150-Y188 HydrophobicContact CD2-CE2 3.8Å; L150-Y188 HydrophobicContact CG-CD1 4.39Å; L150-Y188 HydrophobicContact CG-CE1 3.8Å; L150-Y188 HydrophobicContact CG-CE2 4.21Å; L150-Y188 PolarHBondContact O-OH 3.22Å; H184-Y188 WeakPolarHBondContact O-CD2 3.44Å; H184-Y188 VanDerWaalsContact O-CE2 3.32Å; H184-Y188 WeakPolarHBondContact O-CE2 3.21Å; V185-Y188 WeakPolarHBondContact O-CB 3.44Å; V185-Y188 PolarHBondContact O-N 3.49Å; V185-Y188 VanDerWaalsContact O-N 3.12Å; Y188-N190 VanDerWaalsContact C-N 3.33Å; Y188-N190 PolarHBondContact O-N 3Å; Y188-V191 PolarHBondContact O-N 3.16Å; Y188-Y192 PolarHBondContact O-N 2.74Å |
| 189 | C | 89.3 | Confident | 83 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -32.2 | 175.1 | -70.8 | 0 | 0 | 0 | 0 | 113.5 | C177 E181 V185 R186 E187 Y192 R193 | C177-C189 WeakPolarHBondContact CA-SG 3.36Å; C177-C189 HydrophobicContact CB-CB 3.57Å; C177-C189 WeakPolarHBondContact CB-SG 3.21Å; C177-C189 WeakPolarHBondContact SG-CA 3.32Å; C177-C189 WeakPolarHBondContact SG-CB 3.24Å; C177-C189 CovalentContact SG-SG 2.03Å; C177-C189 PolarHBondContact SG-SG 3.24Å; E181-C189 HydrophobicContact CG-CB 4.39Å; V185-C189 PolarHBondContact O-N 2.85Å; R186-C189 PolarHBondContact O-N 3.43Å; E187-C189 VanDerWaalsContact C-N 3.34Å; E187-C189 PolarHBondContact O-N 3.08Å; C189-Y192 PolarHBondContact O-N 2.8Å; C189-R193 WeakPolarHBondContact O-CB 3.43Å; C189-R193 VanDerWaalsContact O-CG 3.29Å; C189-R193 WeakPolarHBondContact O-CG 3.46Å; C189-R193 PolarHBondContact O-N 3.08Å |
| 190 | N | 84.8 | Confident | 82.9 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.6 | -38.8 | 174.2 | -78.3 | -14.1 | 0 | 0 | 0 | 111.4 | R186 E187 Y188 R193 I194 P201 Y202 | R186-N190 WeakPolarHBondContact O-CB 3.32Å; R186-N190 VanDerWaalsContact O-CG 3.3Å; R186-N190 PolarHBondContact O-N 3.48Å; E187-N190 PolarHBondContact O-N 3.03Å; E187-N190 VanDerWaalsContact O-N 3.16Å; Y188-N190 VanDerWaalsContact C-N 3.33Å; Y188-N190 PolarHBondContact O-N 3Å; N190-R193 PolarHBondContact O-N 2.87Å; N190-R193 PolarHBondContact OD1-NH1 3.15Å; N190-I194 VanDerWaalsContact O-CB 3.32Å; N190-I194 WeakPolarHBondContact O-CB 3.31Å; N190-I194 WeakPolarHBondContact O-CD1 2.97Å; N190-I194 WeakPolarHBondContact O-CG1 3.21Å; N190-I194 PolarHBondContact O-N 3.2Å; N190-P201 HydrophobicContact CB-CB 3.73Å; N190-P201 VanDerWaalsContact CG-CB 3.43Å; N190-P201 WeakPolarHBondContact OD1-CA 3.34Å; N190-Y202 PolarHBondContact ND2-O 3.4Å; N190-Y202 PolarHBondContact OD1-N 3.25Å; N190-Y202 PolarHBondContact OD1-O 2.98Å |
| 191 | V | 84.8 | Confident | 82.8 | Confident | 43 Ų | 43 | 57.6 Ų | 57.6 | 26% | 0.261 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.7 | -49.8 | 166.9 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | E187 Y188 R193 I194 Y195 | E187-V191 WeakPolarHBondContact O-CG2 3.44Å; E187-V191 PolarHBondContact O-N 3.4Å; Y188-V191 PolarHBondContact O-N 3.16Å; V191-R193 PolarHBondContact O-N 3.38Å; V191-I194 PolarHBondContact O-N 3.02Å; V191-Y195 HydrophobicContact CG1-CD2 3.73Å; V191-Y195 HydrophobicContact CG1-CE2 4.12Å; V191-Y195 VanDerWaalsContact O-CD2 3.3Å; V191-Y195 WeakPolarHBondContact O-CD2 3.33Å; V191-Y195 PolarHBondContact O-N 3.27Å |
| 192 | Y | 88.7 | Confident | 82.4 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 178.2 | -172.3 | -93.5 | 0 | 0 | 0 | 112.7 | C166 F169 R170 A173 Y188 C189 I194 C196 L197 | C166-Y192 WeakPolarHBondContact O-CE2 3.41Å; F169-Y192 HydrophobicContact CB-CD2 3.93Å; F169-Y192 HydrophobicContact CB-CE2 4.01Å; R170-Y192 WeakPolarHBondContact CA-OH 3.47Å; A173-Y192 HydrophobicContact CB-CD1 3.41Å; A173-Y192 VanDerWaalsContact CB-CD1 3.41Å; A173-Y192 HydrophobicContact CB-CD2 3.89Å; A173-Y192 HydrophobicContact CB-CE1 3.46Å; A173-Y192 VanDerWaalsContact CB-CE1 3.46Å; A173-Y192 HydrophobicContact CB-CE2 3.95Å; A173-Y192 HydrophobicContact CB-CG 3.64Å; Y188-Y192 PolarHBondContact O-N 2.74Å; C189-Y192 PolarHBondContact O-N 2.8Å; Y192-I194 VanDerWaalsContact C-N 3.34Å; Y192-I194 PolarHBondContact O-N 3.35Å; Y192-C196 HydrophobicContact CD1-CB 4.3Å; Y192-C196 HydrophobicContact CD2-CB 3.89Å; Y192-C196 WeakPolarHBondContact CD2-SG 3.29Å; Y192-C196 HydrophobicContact CE1-CB 4.1Å; Y192-C196 HydrophobicContact CE2-CB 3.66Å; Y192-C196 VanDerWaalsContact CE2-SG 3.54Å; Y192-C196 HydrophobicContact CG-CB 4.19Å; Y192-C196 WeakPolarHBondContact O-CA 3.39Å; Y192-C196 WeakPolarHBondContact O-CB 3.47Å; Y192-C196 PolarHBondContact O-N 3.32Å; Y192-L197 HydrophobicContact CD1-CD1 4.07Å; Y192-L197 HydrophobicContact CD1-CG 4.11Å; Y192-L197 HydrophobicContact CE1-CD1 3.91Å; Y192-L197 HydrophobicContact CE1-CD2 3.93Å; Y192-L197 HydrophobicContact CE1-CG 3.78Å; Y192-L197 PolarHBondContact O-N 3.4Å |
| 193 | R | 89 | Confident | 81.9 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.4 | -47.5 | 175 | -79.4 | 170.8 | -176.9 | 114.7 | 14.1 | 112.5 | C177 E181 C189 N190 V191 L197 N198 Q199 Y202 | C177-R193 PolarHBondContact O-NH2 2.93Å; E181-R193 IonicContact OE1-CZ 2.88Å; E181-R193 VanDerWaalsContact OE1-CZ 3.23Å; E181-R193 IonicContact OE1-NH1 3.96Å; E181-R193 PolarHBondContact OE1-NH1 3.49Å; E181-R193 IonicContact OE1-NH2 2.67Å; E181-R193 PolarHBondContact OE1-NH2 3.3Å; E181-R193 IonicContact OE2-NH1 3.51Å; C189-R193 WeakPolarHBondContact O-CB 3.43Å; C189-R193 VanDerWaalsContact O-CG 3.29Å; C189-R193 WeakPolarHBondContact O-CG 3.46Å; C189-R193 PolarHBondContact O-N 3.08Å; N190-R193 PolarHBondContact O-N 2.87Å; N190-R193 PolarHBondContact OD1-NH1 3.15Å; V191-R193 PolarHBondContact O-N 3.38Å; R193-L197 HydrophobicContact CG-CD1 4.33Å; R193-L197 CarbonylContact O-C 3.48Å; R193-L197 PolarHBondContact O-N 3.37Å; R193-N198 PolarHBondContact O-N 3.23Å; R193-Q199 CarbonylContact C-O 3.46Å; R193-Q199 HydrophobicContact CB-CB 4.05Å; R193-Q199 HydrophobicContact CG-CB 4.3Å; R193-Q199 PolarHBondContact O-N 2.79Å; R193-Y202 VanDerWaalsContact CZ-CE2 3.42Å |
| 194 | I | 84.7 | Confident | 81.4 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 14% | 0.138 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -60.2 | -179.9 | -74.3 | 168.1 | 0 | 0 | 0 | 110 | N190 V191 Y192 P201 W306 | N190-I194 VanDerWaalsContact O-CB 3.32Å; N190-I194 WeakPolarHBondContact O-CB 3.31Å; N190-I194 WeakPolarHBondContact O-CD1 2.97Å; N190-I194 WeakPolarHBondContact O-CG1 3.21Å; N190-I194 PolarHBondContact O-N 3.2Å; V191-I194 PolarHBondContact O-N 3.02Å; Y192-I194 VanDerWaalsContact C-N 3.34Å; Y192-I194 PolarHBondContact O-N 3.35Å; I194-P201 HydrophobicContact CD1-CB 4.22Å; I194-P201 HydrophobicContact CD1-CG 4.15Å; I194-W306 HydrophobicContact CB-CH2 4.36Å; I194-W306 HydrophobicContact CB-CZ3 4.07Å; I194-W306 HydrophobicContact CG1-CH2 4.08Å; I194-W306 HydrophobicContact CG1-CZ3 4.27Å; I194-W306 HydrophobicContact CG2-CE3 3.76Å; I194-W306 HydrophobicContact CG2-CH2 4.28Å; I194-W306 HydrophobicContact CG2-CZ3 3.63Å; I194-W306 WeakPolarHBondContact O-CZ3 3.45Å |
| 195 | Y | 86.2 | Confident | 80.8 | Confident | 35 Ų | 35 | 53 Ų | 53 | 14% | 0.137 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -80.9 | -26.6 | -168.9 | -71.7 | -82.5 | 0 | 0 | 0 | 114.6 | V156 V191 R310 | V156-Y195 HydrophobicContact CG2-CE2 4.47Å; V191-Y195 HydrophobicContact CG1-CD2 3.73Å; V191-Y195 HydrophobicContact CG1-CE2 4.12Å; V191-Y195 VanDerWaalsContact O-CD2 3.3Å; V191-Y195 WeakPolarHBondContact O-CD2 3.33Å; V191-Y195 PolarHBondContact O-N 3.27Å; Y195-R310 HydrophobicContact CE1-CG 3.82Å; Y195-R310 WeakPolarHBondContact OH-CG 3.24Å |
| 196 | C | 91.4 | Very high | 80 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -112.1 | -31.2 | -170.8 | -53 | 0 | 0 | 0 | 0 | 114.3 | C166 Y192 | C166-C196 WeakPolarHBondContact CA-SG 3.43Å; C166-C196 HydrophobicContact CB-CB 3.53Å; C166-C196 WeakPolarHBondContact CB-SG 3.17Å; C166-C196 WeakPolarHBondContact SG-CA 3.47Å; C166-C196 WeakPolarHBondContact SG-CB 3.18Å; C166-C196 CovalentContact SG-SG 2.02Å; C166-C196 PolarHBondContact SG-SG 3.22Å; Y192-C196 HydrophobicContact CD1-CB 4.3Å; Y192-C196 HydrophobicContact CD2-CB 3.89Å; Y192-C196 WeakPolarHBondContact CD2-SG 3.29Å; Y192-C196 HydrophobicContact CE1-CB 4.1Å; Y192-C196 HydrophobicContact CE2-CB 3.66Å; Y192-C196 VanDerWaalsContact CE2-SG 3.54Å; Y192-C196 HydrophobicContact CG-CB 4.19Å; Y192-C196 WeakPolarHBondContact O-CA 3.39Å; Y192-C196 WeakPolarHBondContact O-CB 3.47Å; Y192-C196 PolarHBondContact O-N 3.32Å |
| 197 | L | 88.3 | Confident | 79.6 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -108.1 | -7.6 | -177.9 | -54.1 | 179.8 | 0 | 0 | 0 | 113.2 | Y192 R193 Q199 | Y192-L197 HydrophobicContact CD1-CD1 4.07Å; Y192-L197 HydrophobicContact CD1-CG 4.11Å; Y192-L197 HydrophobicContact CE1-CD1 3.91Å; Y192-L197 HydrophobicContact CE1-CD2 3.93Å; Y192-L197 HydrophobicContact CE1-CG 3.78Å; Y192-L197 PolarHBondContact O-N 3.4Å; R193-L197 HydrophobicContact CG-CD1 4.33Å; R193-L197 CarbonylContact O-C 3.48Å; R193-L197 PolarHBondContact O-N 3.37Å; L197-Q199 HydrophobicContact CB-CB 4.1Å; L197-Q199 HydrophobicContact CB-CG 3.74Å; L197-Q199 PolarHBondContact O-N 3.41Å; L197-Q199 VanDerWaalsContact O-N 3.12Å |
| 198 | N | 83.9 | Confident | 79.7 | Confident | 131 Ų | 131 | 57 Ų | 57 | 70% | 0.701 | 29% | 0.291 | S | S | * | . | trans | 49.9 | 28.2 | -166.9 | -65.3 | -65.2 | 0 | 0 | 0 | 113.2 | R193 | R193-N198 PolarHBondContact O-N 3.23Š| ||
| 199 | Q | 85.2 | Confident | 79.8 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -92 | 149.8 | 179.5 | -72.9 | 179.2 | 12.2 | 0 | 0 | 110.7 | R193 L197 | R193-Q199 CarbonylContact C-O 3.46Å; R193-Q199 HydrophobicContact CB-CB 4.05Å; R193-Q199 HydrophobicContact CG-CB 4.3Å; R193-Q199 PolarHBondContact O-N 2.79Å; L197-Q199 HydrophobicContact CB-CB 4.1Å; L197-Q199 HydrophobicContact CB-CG 3.74Å; L197-Q199 PolarHBondContact O-N 3.41Å; L197-Q199 VanDerWaalsContact O-N 3.12Å |
| 200 | K | 76 | Confident | 79.7 | Confident | 130 Ų | 130 | 60.1 Ų | 60.1 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 141.2 | 173.3 | -67.6 | 174.9 | -178.9 | 173.9 | 0 | 109.6 | A301 | K200-A301 HydrophobicContact CD-CB 4.43Š|
| 201 | P | 73.7 | Confident | 79.8 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 146 | 176 | 28.4 | -36.2 | 0 | 0 | 0 | 110.8 | N190 I194 | N190-P201 HydrophobicContact CB-CB 3.73Å; N190-P201 VanDerWaalsContact CG-CB 3.43Å; N190-P201 WeakPolarHBondContact OD1-CA 3.34Å; I194-P201 HydrophobicContact CD1-CB 4.22Å; I194-P201 HydrophobicContact CD1-CG 4.15Å |
| 202 | Y | 71.7 | Confident | 79.8 | Confident | 110 Ų | 110 | 64.8 Ų | 64.8 | 43% | 0.431 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 140.6 | 169.5 | -66.1 | -35.5 | 0 | 0 | 0 | 110 | N190 R193 I204 | N190-Y202 PolarHBondContact ND2-O 3.4Å; N190-Y202 PolarHBondContact OD1-N 3.25Å; N190-Y202 PolarHBondContact OD1-O 2.98Å; R193-Y202 VanDerWaalsContact CZ-CE2 3.42Å; Y202-I204 PolarHBondContact O-N 3.16Å |
| 203 | P | 64.9 | Low | 79.8 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 25% | 0.253 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 130.4 | 177.5 | 26.4 | -32.6 | 0 | 0 | 0 | 111 | R186 V205 D206 D244 | R186-P203 PolarHBondContact NH1-O 3.13Å; R186-P203 VanDerWaalsContact NH1-O 3.09Å; P203-V205 VanDerWaalsContact C-N 3.35Å; P203-D206 WeakPolarHBondContact CG-OD2 3.09Å; P203-D244 HydrophobicContact CB-CB 4.23Å |
| 204 | I | 61.8 | Low | 79.7 | Confident | 31 Ų | 31 | 69 Ų | 69 | 16% | 0.159 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -60.2 | -42.9 | 169.9 | -61 | 163.1 | 0 | 0 | 0 | 110.8 | Q183 R186 E187 Y202 D244 | Q183-I204 HydrophobicContact CB-CG2 4.14Å; Q183-I204 HydrophobicContact CG-CG2 3.61Å; R186-I204 HydrophobicContact CB-CG1 4.07Å; R186-I204 VanDerWaalsContact CD-CA 3.46Å; R186-I204 HydrophobicContact CG-CG1 3.81Å; R186-I204 PolarHBondContact NH1-O 3.29Å; E187-I204 HydrophobicContact CG-CD1 3.8Å; Y202-I204 PolarHBondContact O-N 3.16Å; I204-D244 VanDerWaalsContact CA-OD1 3.29Å; I204-D244 WeakPolarHBondContact CA-OD1 3.35Å; I204-D244 VanDerWaalsContact CB-OD1 3.26Å; I204-D244 WeakPolarHBondContact CB-OD1 3.46Å; I204-D244 WeakPolarHBondContact CB-OD2 3.28Å; I204-D244 WeakPolarHBondContact CD1-OD2 3.15Å; I204-D244 WeakPolarHBondContact CG1-OD2 3.16Å; I204-D244 PolarHBondContact N-OD1 3.39Å; I204-D244 PolarHBondContact N-OD2 3.39Å |
| 205 | V | 64.6 | Low | 79.8 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 35% | 0.345 | 41% | 0.405 | S | S | . | . | trans | -137.6 | 139.9 | 168.1 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | P203 Y242 G243 D244 | P203-V205 VanDerWaalsContact C-N 3.35Å; V205-Y242 HydrophobicContact CG1-CE2 3.94Å; V205-G243 WeakPolarHBondContact O-CA 3.38Å; V205-D244 PolarHBondContact N-OD1 2.93Å; V205-D244 PolarHBondContact O-N 3.15Å | ||
| 206 | D | 67.4 | Low | 79.9 | Confident | 103 Ų | 103 | 76.1 Ų | 76.1 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113 | 157.9 | -92.4 | -39.1 | 0 | 0 | 0 | 107.8 | P203 W245 | P203-D206 WeakPolarHBondContact CG-OD2 3.09Å; D206-W245 PolarHBondContact OD1-NE1 3.22Å |
| 207 | G | 73.5 | Confident | 79.8 | Confident | 19 Ų | 19 | 77.1 Ų | 77.1 | 20% | 0.196 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | G241 Y242 | G207-G241 CarbonylContact O-C 3.57Å; G207-G241 WeakPolarHBondContact O-CA 3.22Å; G207-Y242 PolarHBondContact N-O 2.91Å; G207-Y242 PolarHBondContact O-N 2.81Å; G207-Y242 VanDerWaalsContact O-O 3.11Å |
| 208 | N | 82 | Confident | 79.5 | Confident | 123 Ų | 123 | 77.5 Ų | 77.5 | 66% | 0.658 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 109.1 | 175.1 | -178 | 20.9 | 0 | 0 | 0 | 111.2 | V240 | N208-V240 WeakPolarHBondContact CA-O 3.49Å |
| 209 | I | 84.6 | Confident | 79.4 | Confident | 87 Ų | 87 | 75.9 Ų | 75.9 | 45% | 0.446 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 105.2 | 177 | -67.9 | 163.5 | 0 | 0 | 0 | 108.8 | V211 G239 V240 Y242 | I209-V211 HydrophobicContact CG2-CG2 4.05Å; I209-G239 WeakPolarHBondContact O-CA 3.22Å; I209-V240 PolarHBondContact N-O 3.5Å; I209-V240 PolarHBondContact O-N 2.9Å; I209-Y242 HydrophobicContact CD1-CE1 3.77Å; I209-Y242 HydrophobicContact CG1-CE1 4.01Å |
| 210 | G | 86.4 | Confident | 79 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 62% | 0.619 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 99.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 211 | V | 86.5 | Confident | 78.8 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.4 | 174.1 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | I209 T213 V238 | I209-V211 HydrophobicContact CG2-CG2 4.05Å; V211-T213 HydrophobicContact CG1-CG2 3.98Å; V211-V238 PolarHBondContact N-O 3.16Å; V211-V238 PolarHBondContact O-N 3.04Å |
| 212 | T | 86.6 | Confident | 78.3 | Confident | 78 Ų | 78 | 74.7 Ų | 74.7 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.1 | 171.6 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | A215 R237 | T212-A215 HydrophobicContact CG2-CB 3.97Å; T212-R237 HydrophobicContact CG2-CG 4.01Å |
| 213 | T | 87.4 | Confident | 78 | Confident | 44 Ų | 44 | 76.1 Ų | 76.1 | 27% | 0.27 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.3 | -175.4 | 63 | 0 | 0 | 0 | 0 | 110.2 | V211 A215 R236 | V211-T213 HydrophobicContact CG1-CG2 3.98Å; T213-A215 PolarHBondContact O-N 3.32Å; T213-R236 PolarHBondContact N-O 3.5Å; T213-R236 PolarHBondContact O-N 3.23Å; T213-R236 VanDerWaalsContact O-O 3.11Å; T213-R236 PolarHBondContact OG1-O 3.48Å |
| 214 | N | 88.4 | Confident | 78 | Confident | 77 Ų | 77 | 77.9 Ų | 77.9 | 41% | 0.412 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 36 | -175.3 | -40.5 | -86.1 | 0 | 0 | 0 | 112.1 | G235 R461 | N214-G235 VanDerWaalsContact O-CA 3.26Å; N214-G235 WeakPolarHBondContact O-CA 3.41Å; N214-R461 VanDerWaalsContact OD1-CZ 3.32Å; N214-R461 PolarHBondContact OD1-NH1 2.03Å; N214-R461 PolarHBondContact OD1-NH2 3.24Å |
| 215 | A | 86.3 | Confident | 78.2 | Confident | 75 Ų | 75 | 82.4 Ų | 82.4 | 62% | 0.62 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 131.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T212 T213 G234 | T212-A215 HydrophobicContact CG2-CB 3.97Å; T213-A215 PolarHBondContact O-N 3.32Å; A215-G234 WeakPolarHBondContact CA-O 3Å |
| 216 | W | 88.6 | Confident | 78.5 | Confident | 135 Ų | 135 | 84.4 Ų | 84.4 | 51% | 0.511 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 157 | 171 | 58.5 | -94.8 | 0 | 0 | 0 | 108.6 | I232 G233 G234 V255 | W216-I232 HydrophobicContact CH2-CG2 4.29Å; W216-I232 HydrophobicContact CZ3-CG2 4.19Å; W216-G233 CarbonylContact O-C 3.46Å; W216-G233 VanDerWaalsContact O-CA 3.25Å; W216-G233 WeakPolarHBondContact O-CA 3.37Å; W216-G234 VanDerWaalsContact CE2-CA 3.48Å; W216-G234 PolarHBondContact N-O 2.99Å; W216-G234 PolarHBondContact O-N 2.7Å; W216-G234 VanDerWaalsContact O-O 3.13Å; W216-V255 HydrophobicContact CH2-CG1 3.97Å; W216-V255 HydrophobicContact CH2-CG2 4.25Å; W216-V255 HydrophobicContact CZ2-CG1 4.44Å; W216-V255 HydrophobicContact CZ2-CG2 3.98Å |
| 217 | G | 87.7 | Confident | 78.5 | Confident | 56 Ų | 56 | 80.4 Ų | 80.4 | 58% | 0.577 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 151.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I232 | G217-I232 CarbonylContact C-O 3.49Å; G217-I232 WeakPolarHBondContact CA-O 3.45Å |
| 218 | V | 82.7 | Confident | 78.1 | Confident | 82 Ų | 82 | 84.7 Ų | 84.7 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.6 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 107 | I221 A231 I232 | V218-I221 HydrophobicContact CB-CD1 4.27Å; V218-I221 HydrophobicContact CG1-CD1 4.03Å; V218-I221 HydrophobicContact CG1-CG1 3.96Å; V218-A231 CarbonylContact O-C 3.56Å; V218-A231 WeakPolarHBondContact O-CA 3.26Å; V218-I232 PolarHBondContact N-O 3.27Å; V218-I232 PolarHBondContact O-N 2.87Å |
| 219 | S | 82.2 | Confident | 77.5 | Confident | 97 Ų | 97 | 84.8 Ų | 84.8 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | trans | -108.9 | 156.2 | 179.2 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | G230 | S219-G230 CarbonylContact C-O 3.57Å; S219-G230 WeakPolarHBondContact CA-O 3.29Å | ||
| 220 | G | 75.5 | Confident | 77 | Confident | 55 Ų | 55 | 81 Ų | 81 | 57% | 0.567 | 49% | 0.491 | S | S | * | . | trans | 80.3 | 19.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | P222 Q229 G230 | G220-P222 WeakPolarHBondContact O-CD 3.34Å; G220-Q229 PolarHBondContact N-O 3.3Å; G220-G230 PolarHBondContact N-O 2.71Å; G220-G230 VanDerWaalsContact N-O 3.13Å | ||
| 221 | I | 72.9 | Confident | 76.6 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 29% | 0.287 | 47% | 0.473 | S | S | . | . | trans | -69.2 | 112.6 | 171.6 | -56.1 | 171.2 | 0 | 0 | 0 | 108.3 | V218 F223 Y224 G230 I232 | V218-I221 HydrophobicContact CB-CD1 4.27Å; V218-I221 HydrophobicContact CG1-CD1 4.03Å; V218-I221 HydrophobicContact CG1-CG1 3.96Å; I221-F223 VanDerWaalsContact C-N 3.26Å; I221-F223 PolarHBondContact O-N 3.31Å; I221-Y224 HydrophobicContact CB-CD2 4.17Å; I221-Y224 HydrophobicContact CB-CE2 4.32Å; I221-Y224 HydrophobicContact CD1-CE2 4.39Å; I221-Y224 HydrophobicContact CG2-CD2 3.91Å; I221-Y224 HydrophobicContact CG2-CE2 3.78Å; I221-G230 PolarHBondContact N-O 3.39Å; I221-G230 WeakPolarHBondContact O-CA 3.37Å; I221-I232 HydrophobicContact CD1-CB 4.42Å; I221-I232 HydrophobicContact CD1-CD1 3.72Å; I221-I232 HydrophobicContact CD1-CG1 3.93Å | ||
| 222 | P | 62.8 | Low | 76.4 | Confident | 108 Ų | 108 | 77 Ų | 77 | 70% | 0.701 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 1.7 | -158.4 | -20.9 | 34.3 | 0 | 0 | 0 | 117.4 | G220 | G220-P222 WeakPolarHBondContact O-CD 3.34Š|
| 223 | F | 65 | Low | 76.4 | Confident | 141 Ų | 141 | 74.8 Ų | 74.8 | 62% | 0.618 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.4 | 44.5 | -165.6 | -68.1 | -73.9 | 0 | 0 | 0 | 114.6 | I221 L396 | I221-F223 VanDerWaalsContact C-N 3.26Å; I221-F223 PolarHBondContact O-N 3.31Å; F223-L396 HydrophobicContact CE2-CD1 3.93Å; F223-L396 HydrophobicContact CE2-CD2 3.94Å; F223-L396 HydrophobicContact CE2-CG 4.08Å; F223-L396 HydrophobicContact CZ-CD1 4.02Å; F223-L396 HydrophobicContact CZ-CD2 4.01Å; F223-L396 HydrophobicContact CZ-CG 4.43Å |
| 224 | Y | 65.8 | Low | 76.5 | Confident | 75 Ų | 75 | 73.1 Ų | 73.1 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | trans | -109.1 | 104.4 | 171.9 | -85.8 | -68.5 | 0 | 0 | 0 | 113.4 | I221 F226 N227 I232 F258 | I221-Y224 HydrophobicContact CB-CD2 4.17Å; I221-Y224 HydrophobicContact CB-CE2 4.32Å; I221-Y224 HydrophobicContact CD1-CE2 4.39Å; I221-Y224 HydrophobicContact CG2-CD2 3.91Å; I221-Y224 HydrophobicContact CG2-CE2 3.78Å; Y224-F226 HydrophobicContact CD1-CD2 4.36Å; Y224-F226 HydrophobicContact CD1-CE1 4.07Å; Y224-F226 AromaticContact CD1-CE2 3.52Å; Y224-F226 HydrophobicContact CD1-CE2 3.52Å; Y224-F226 AromaticContact CD1-CZ 3.36Å; Y224-F226 HydrophobicContact CD1-CZ 3.36Å; Y224-F226 HydrophobicContact CE1-CE1 4.48Å; Y224-F226 HydrophobicContact CE1-CE2 4.1Å; Y224-F226 AromaticContact CE1-CZ 3.65Å; Y224-F226 HydrophobicContact CE1-CZ 3.65Å; Y224-F226 HydrophobicContact CG-CE2 4.37Å; Y224-F226 PolarHBondContact O-N 3.28Å; Y224-F226 VanDerWaalsContact O-N 3.13Å; Y224-N227 CarbonylContact O-C 3.55Å; Y224-N227 PolarHBondContact O-N 2.79Å; Y224-I232 HydrophobicContact CE2-CD1 3.68Å; Y224-I232 HydrophobicContact CE2-CG1 4.34Å; Y224-F258 HydrophobicContact CD1-CZ 4.41Å; Y224-F258 HydrophobicContact CE1-CE1 4.21Å; Y224-F258 AromaticContact CE1-CZ 3.59Å; Y224-F258 HydrophobicContact CE1-CZ 3.59Å; Y224-F258 AromaticContact CZ-CZ 3.82Å | ||
| 225 | P | 66.6 | Low | 76.7 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 82% | 0.818 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -16.1 | -174.5 | 27.6 | -35.1 | 0 | 0 | 0 | 113.9 | ||
| 226 | F | 69.5 | Low | 77 | Confident | 99 Ų | 99 | 71 Ų | 71 | 43% | 0.434 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -9.9 | 179.4 | 49.5 | -108.9 | 0 | 0 | 0 | 114.2 | Y224 F258 L284 | Y224-F226 HydrophobicContact CD1-CD2 4.36Å; Y224-F226 HydrophobicContact CD1-CE1 4.07Å; Y224-F226 AromaticContact CD1-CE2 3.52Å; Y224-F226 HydrophobicContact CD1-CE2 3.52Å; Y224-F226 AromaticContact CD1-CZ 3.36Å; Y224-F226 HydrophobicContact CD1-CZ 3.36Å; Y224-F226 HydrophobicContact CE1-CE1 4.48Å; Y224-F226 HydrophobicContact CE1-CE2 4.1Å; Y224-F226 AromaticContact CE1-CZ 3.65Å; Y224-F226 HydrophobicContact CE1-CZ 3.65Å; Y224-F226 HydrophobicContact CG-CE2 4.37Å; Y224-F226 PolarHBondContact O-N 3.28Å; Y224-F226 VanDerWaalsContact O-N 3.13Å; F226-F258 HydrophobicContact CE2-CZ 4.26Å; F226-F258 HydrophobicContact CZ-CE1 4.1Å; F226-F258 HydrophobicContact CZ-CZ 4.1Å; F226-L284 HydrophobicContact CB-CD2 4.16Å; F226-L284 HydrophobicContact CD1-CD2 3.91Å; F226-L284 HydrophobicContact CD2-CD1 4.33Å; F226-L284 HydrophobicContact CD2-CD2 3.34Å; F226-L284 HydrophobicContact CD2-CG 4.44Å; F226-L284 HydrophobicContact CE1-CD1 4.24Å; F226-L284 HydrophobicContact CE1-CD2 4.07Å; F226-L284 HydrophobicContact CE2-CD1 3.62Å; F226-L284 HydrophobicContact CE2-CD2 3.53Å; F226-L284 HydrophobicContact CE2-CG 4.2Å; F226-L284 HydrophobicContact CG-CD2 3.53Å; F226-L284 HydrophobicContact CZ-CD1 3.55Å; F226-L284 HydrophobicContact CZ-CD2 3.88Å; F226-L284 HydrophobicContact CZ-CG 4.38Å |
| 227 | N | 68.9 | Low | 77 | Confident | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.102 | 42% | 0.419 | C | S | . | . | trans | -128.7 | 86.9 | -179.8 | -177.1 | -37.4 | 0 | 0 | 0 | 108.6 | Y224 Q229 G230 A231 D257 | Y224-N227 CarbonylContact O-C 3.55Å; Y224-N227 PolarHBondContact O-N 2.79Å; N227-Q229 PolarHBondContact O-N 3.39Å; N227-Q229 PolarHBondContact OD1-N 3.34Å; N227-G230 PolarHBondContact O-N 3.34Å; N227-G230 PolarHBondContact OD1-N 2.81Å; N227-A231 PolarHBondContact ND2-O 3.26Å; N227-A231 PolarHBondContact OD1-N 3.18Å; N227-A231 VanDerWaalsContact OD1-N 3.12Å; N227-D257 PolarHBondContact ND2-OD2 2.97Å | ||
| 228 | P | 64.9 | Low | 77.1 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 71% | 0.714 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 2.6 | -175.2 | 30.7 | -36.9 | 0 | 0 | 0 | 113.9 | ||
| 229 | Q | 68.9 | Low | 77.4 | Confident | 125 Ų | 125 | 67 Ų | 67 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.5 | 168.9 | -64 | -178.9 | -22.3 | 0 | 0 | 111.6 | G220 N227 A231 | G220-Q229 PolarHBondContact N-O 3.3Å; N227-Q229 PolarHBondContact O-N 3.39Å; N227-Q229 PolarHBondContact OD1-N 3.34Å; Q229-A231 HydrophobicContact CB-CB 3.8Å; Q229-A231 PolarHBondContact O-N 2.86Å |
| 230 | G | 73.6 | Confident | 77.7 | Confident | 6 Ų | 6 | 65 Ų | 65 | 6% | 0.062 | 36% | 0.362 | C | S | . | . | trans | 55.9 | 30.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S219 G220 I221 N227 | S219-G230 CarbonylContact C-O 3.57Å; S219-G230 WeakPolarHBondContact CA-O 3.29Å; G220-G230 PolarHBondContact N-O 2.71Å; G220-G230 VanDerWaalsContact N-O 3.13Å; I221-G230 PolarHBondContact N-O 3.39Å; I221-G230 WeakPolarHBondContact O-CA 3.37Å; N227-G230 PolarHBondContact O-N 3.34Å; N227-G230 PolarHBondContact OD1-N 2.81Å | ||
| 231 | A | 77.9 | Confident | 78.1 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 24% | 0.24 | 34% | 0.34 | C | S | . | . | trans | -112 | 98 | -160.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V218 N227 Q229 | V218-A231 CarbonylContact O-C 3.56Å; V218-A231 WeakPolarHBondContact O-CA 3.26Å; N227-A231 PolarHBondContact ND2-O 3.26Å; N227-A231 PolarHBondContact OD1-N 3.18Å; N227-A231 VanDerWaalsContact OD1-N 3.12Å; Q229-A231 HydrophobicContact CB-CB 3.8Å; Q229-A231 PolarHBondContact O-N 2.86Å | ||
| 232 | I | 83.2 | Confident | 78.5 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 12% | 0.123 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 118.4 | 172.5 | -56.8 | -179.3 | 0 | 0 | 0 | 108.7 | W216 G217 V218 I221 Y224 V255 F258 | W216-I232 HydrophobicContact CH2-CG2 4.29Å; W216-I232 HydrophobicContact CZ3-CG2 4.19Å; G217-I232 CarbonylContact C-O 3.49Å; G217-I232 WeakPolarHBondContact CA-O 3.45Å; V218-I232 PolarHBondContact N-O 3.27Å; V218-I232 PolarHBondContact O-N 2.87Å; I221-I232 HydrophobicContact CD1-CB 4.42Å; I221-I232 HydrophobicContact CD1-CD1 3.72Å; I221-I232 HydrophobicContact CD1-CG1 3.93Å; Y224-I232 HydrophobicContact CE2-CD1 3.68Å; Y224-I232 HydrophobicContact CE2-CG1 4.34Å; I232-V255 HydrophobicContact CG2-CG1 3.38Å; I232-F258 HydrophobicContact CD1-CE2 3.7Å; I232-F258 HydrophobicContact CD1-CZ 4.17Å; I232-F258 HydrophobicContact CG1-CE2 3.94Å; I232-F258 HydrophobicContact CG2-CD2 4.46Å; I232-F258 HydrophobicContact CG2-CE2 4.25Å |
| 233 | G | 85.3 | Confident | 79.1 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 32% | 0.32 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W216 S256 | W216-G233 CarbonylContact O-C 3.46Å; W216-G233 VanDerWaalsContact O-CA 3.25Å; W216-G233 WeakPolarHBondContact O-CA 3.37Å; G233-S256 PolarHBondContact N-OG 2.91Å; G233-S256 WeakPolarHBondContact O-CB 3.15Å; G233-S256 PolarHBondContact O-N 3.27Å; G233-S256 PolarHBondContact O-OG 3.35Å |
| 234 | G | 90.5 | Very high | 79.1 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 167.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A215 W216 G254 | A215-G234 WeakPolarHBondContact CA-O 3Å; W216-G234 VanDerWaalsContact CE2-CA 3.48Å; W216-G234 PolarHBondContact N-O 2.99Å; W216-G234 PolarHBondContact O-N 2.7Å; W216-G234 VanDerWaalsContact O-O 3.13Å; G234-G254 CarbonylContact C-O 3.43Å; G234-G254 WeakPolarHBondContact CA-O 3.45Å |
| 235 | G | 91.4 | Very high | 79.4 | Confident | 14 Ų | 14 | 55 Ų | 55 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | -169.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N214 K253 G254 | N214-G235 VanDerWaalsContact O-CA 3.26Å; N214-G235 WeakPolarHBondContact O-CA 3.41Å; G235-K253 WeakPolarHBondContact O-CA 3.45Å; G235-G254 PolarHBondContact N-O 2.93Å; G235-G254 PolarHBondContact O-N 3.02Å |
| 236 | R | 92.5 | Very high | 80 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 111.9 | 177.1 | 168.9 | -177.2 | 156.8 | 178.8 | -7.8 | 110.1 | T213 V238 Q252 | T213-R236 PolarHBondContact N-O 3.5Å; T213-R236 PolarHBondContact O-N 3.23Å; T213-R236 VanDerWaalsContact O-O 3.11Å; T213-R236 PolarHBondContact OG1-O 3.48Å; R236-V238 HydrophobicContact CG-CG2 4.29Å; R236-Q252 CarbonylContact C-O 3.37Å; R236-Q252 VanDerWaalsContact CA-O 3.23Å; R236-Q252 WeakPolarHBondContact CA-O 3.16Å |
| 237 | R | 88.6 | Confident | 80.7 | Confident | 157 Ų | 157 | 47.2 Ų | 47.2 | 59% | 0.592 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.1 | 173.5 | -61.9 | 176.8 | -179.2 | 169.3 | 2 | 109.5 | T212 T251 Q252 | T212-R237 HydrophobicContact CG2-CG 4.01Å; R237-T251 CarbonylContact O-C 3.58Å; R237-T251 WeakPolarHBondContact O-CA 3.44Å; R237-Q252 HydrophobicContact CB-CB 4.32Å; R237-Q252 PolarHBondContact N-O 3.16Å; R237-Q252 PolarHBondContact O-N 2.91Å |
| 238 | V | 90.9 | Very high | 81.5 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 110 | 174 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | V211 R236 T250 T251 | V211-V238 PolarHBondContact N-O 3.16Å; V211-V238 PolarHBondContact O-N 3.04Å; R236-V238 HydrophobicContact CG-CG2 4.29Å; V238-T250 CarbonylContact C-O 3.59Å; V238-T250 VanDerWaalsContact CA-O 3.32Å; V238-T250 WeakPolarHBondContact CA-O 3.35Å; V238-T251 HydrophobicContact CG1-CG2 4.23Å; V238-T251 HydrophobicContact CG2-CG2 4.2Å |
| 239 | G | 88.8 | Confident | 82.6 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | I209 T250 | I209-G239 WeakPolarHBondContact O-CA 3.22Å; G239-T250 WeakPolarHBondContact CA-OG1 3.41Å; G239-T250 PolarHBondContact N-O 2.92Å; G239-T250 PolarHBondContact N-OG1 2.85Å; G239-T250 PolarHBondContact O-N 3.02Å; G239-T250 PolarHBondContact O-OG1 3.48Å |
| 240 | V | 89.1 | Confident | 83.6 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 34% | 0.339 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 92.2 | 169 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | N208 I209 | N208-V240 WeakPolarHBondContact CA-O 3.49Å; I209-V240 PolarHBondContact N-O 3.5Å; I209-V240 PolarHBondContact O-N 2.9Å |
| 241 | G | 84.2 | Confident | 84.5 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 132.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G207 R248 | G207-G241 CarbonylContact O-C 3.57Å; G207-G241 WeakPolarHBondContact O-CA 3.22Å; G241-R248 PolarHBondContact N-O 3.47Å; G241-R248 PolarHBondContact O-N 3.49Å |
| 242 | Y | 81.4 | Confident | 85 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 145.6 | 175.3 | 61.9 | -86.6 | 0 | 0 | 0 | 109.8 | V205 G207 I209 | V205-Y242 HydrophobicContact CG1-CE2 3.94Å; G207-Y242 PolarHBondContact N-O 2.91Å; G207-Y242 PolarHBondContact O-N 2.81Å; G207-Y242 VanDerWaalsContact O-O 3.11Å; I209-Y242 HydrophobicContact CD1-CE1 3.77Å; I209-Y242 HydrophobicContact CG1-CE1 4.01Å |
| 243 | G | 74.9 | Confident | 85.5 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | -175.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V205 W245 G246 | V205-G243 WeakPolarHBondContact O-CA 3.38Å; G243-W245 VanDerWaalsContact C-N 3.27Å; G243-W245 PolarHBondContact O-N 2.9Å; G243-G246 PolarHBondContact N-O 2.91Å; G243-G246 CarbonylContact O-C 3.47Å; G243-G246 WeakPolarHBondContact O-CA 3.31Å; G243-G246 PolarHBondContact O-N 2.82Å; G243-G246 VanDerWaalsContact O-O 3.05Å |
| 244 | D | 65.3 | Low | 85.8 | Confident | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -46.7 | -177.6 | -70.9 | 42.7 | 0 | 0 | 0 | 112.5 | P203 I204 V205 G246 W269 | P203-D244 HydrophobicContact CB-CB 4.23Å; I204-D244 VanDerWaalsContact CA-OD1 3.29Å; I204-D244 WeakPolarHBondContact CA-OD1 3.35Å; I204-D244 VanDerWaalsContact CB-OD1 3.26Å; I204-D244 WeakPolarHBondContact CB-OD1 3.46Å; I204-D244 WeakPolarHBondContact CB-OD2 3.28Å; I204-D244 WeakPolarHBondContact CD1-OD2 3.15Å; I204-D244 WeakPolarHBondContact CG1-OD2 3.16Å; I204-D244 PolarHBondContact N-OD1 3.39Å; I204-D244 PolarHBondContact N-OD2 3.39Å; V205-D244 PolarHBondContact N-OD1 2.93Å; V205-D244 PolarHBondContact O-N 3.15Å; D244-G246 PolarHBondContact O-N 3.13Å; D244-W269 WeakPolarHBondContact O-CZ2 3.05Å; D244-W269 PolarHBondContact O-NE1 3.19Å |
| 245 | W | 71.6 | Confident | 85.7 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 19% | 0.186 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -9.4 | 178.7 | 50.1 | -100.3 | 0 | 0 | 0 | 113.3 | D206 G243 R248 N268 W269 Q270 | D206-W245 PolarHBondContact OD1-NE1 3.22Å; G243-W245 VanDerWaalsContact C-N 3.27Å; G243-W245 PolarHBondContact O-N 2.9Å; W245-R248 HydrophobicContact CH2-CB 4.28Å; W245-R248 HydrophobicContact CZ3-CB 4.29Å; W245-N268 VanDerWaalsContact CD2-ND2 3.31Å; W245-N268 HydrophobicContact CE3-CB 3.79Å; W245-N268 VanDerWaalsContact CE3-CG 3.47Å; W245-N268 HydrophobicContact CZ3-CB 4.19Å; W245-N268 CarbonylContact O-C 3.59Å; W245-N268 WeakPolarHBondContact O-CA 3.38Å; W245-W269 PolarHBondContact O-N 3.48Å; W245-Q270 HydrophobicContact CB-CB 3.58Å; W245-Q270 HydrophobicContact CB-CG 4.48Å |
| 246 | G | 79.7 | Confident | 85.3 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123 | -156.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G243 D244 A267 | G243-G246 PolarHBondContact N-O 2.91Å; G243-G246 CarbonylContact O-C 3.47Å; G243-G246 WeakPolarHBondContact O-CA 3.31Å; G243-G246 PolarHBondContact O-N 2.82Å; G243-G246 VanDerWaalsContact O-O 3.05Å; D244-G246 PolarHBondContact O-N 3.13Å; G246-A267 VanDerWaalsContact CA-O 3.32Å; G246-A267 WeakPolarHBondContact CA-O 3.46Å |
| 247 | A | 83.2 | Confident | 84.6 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 150.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A267 | A247-A267 PolarHBondContact N-O 3.12Å; A247-A267 VanDerWaalsContact N-O 3.16Å; A247-A267 PolarHBondContact O-N 3.27Å |
| 248 | R | 85.8 | Confident | 84.5 | Confident | 115 Ų | 115 | 48.3 Ų | 48.3 | 43% | 0.434 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 103.5 | 171.3 | -177.7 | 179.8 | 177 | -155.2 | -2.7 | 110.3 | G241 W245 T250 V264 V265 | G241-R248 PolarHBondContact N-O 3.47Å; G241-R248 PolarHBondContact O-N 3.49Å; W245-R248 HydrophobicContact CH2-CB 4.28Å; W245-R248 HydrophobicContact CZ3-CB 4.29Å; R248-T250 HydrophobicContact CG-CG2 4.18Å; R248-V264 HydrophobicContact CG-CG1 3.84Å; R248-V265 WeakPolarHBondContact CA-O 3.16Å |
| 249 | V | 88.6 | Confident | 84.4 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 110.8 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | T251 V264 V265 | V249-T251 HydrophobicContact CG1-CG2 4.44Å; V249-V264 CarbonylContact O-C 3.57Å; V249-V264 WeakPolarHBondContact O-CA 3.37Å; V249-V265 PolarHBondContact N-O 2.82Å; V249-V265 PolarHBondContact O-N 3.06Å |
| 250 | T | 89.9 | Confident | 84.5 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 139.3 | 169.1 | 72.3 | 0 | 0 | 0 | 0 | 110 | V238 G239 R248 K263 V264 | V238-T250 CarbonylContact C-O 3.59Å; V238-T250 VanDerWaalsContact CA-O 3.32Å; V238-T250 WeakPolarHBondContact CA-O 3.35Å; G239-T250 WeakPolarHBondContact CA-OG1 3.41Å; G239-T250 PolarHBondContact N-O 2.92Å; G239-T250 PolarHBondContact N-OG1 2.85Å; G239-T250 PolarHBondContact O-N 3.02Å; G239-T250 PolarHBondContact O-OG1 3.48Å; R248-T250 HydrophobicContact CG-CG2 4.18Å; T250-K263 CarbonylContact C-O 3.54Å; T250-K263 WeakPolarHBondContact CA-O 2.94Å; T250-V264 HydrophobicContact CG2-CG1 4.24Å; T250-V264 HydrophobicContact CG2-CG2 4.1Å |
| 251 | T | 91.1 | Very high | 84.5 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 104.4 | 166.4 | 63.2 | 0 | 0 | 0 | 0 | 108 | R237 V238 V249 G262 K263 | R237-T251 CarbonylContact O-C 3.58Å; R237-T251 WeakPolarHBondContact O-CA 3.44Å; V238-T251 HydrophobicContact CG1-CG2 4.23Å; V238-T251 HydrophobicContact CG2-CG2 4.2Å; V249-T251 HydrophobicContact CG1-CG2 4.44Å; T251-G262 WeakPolarHBondContact O-CA 3.46Å; T251-K263 PolarHBondContact N-O 3.02Å; T251-K263 PolarHBondContact O-N 2.94Å |
| 252 | Q | 89.8 | Confident | 84.8 | Confident | 71 Ų | 71 | 54.9 Ų | 54.9 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141.9 | 176 | -75.1 | 171.2 | -73.1 | 0 | 0 | 109.5 | R236 R237 D260 Q261 | R236-Q252 CarbonylContact C-O 3.37Å; R236-Q252 VanDerWaalsContact CA-O 3.23Å; R236-Q252 WeakPolarHBondContact CA-O 3.16Å; R237-Q252 HydrophobicContact CB-CB 4.32Å; R237-Q252 PolarHBondContact N-O 3.16Å; R237-Q252 PolarHBondContact O-N 2.91Å; Q252-D260 WeakPolarHBondContact CB-OD1 3.42Å; Q252-D260 WeakPolarHBondContact CG-OD2 3.31Å; Q252-D260 PolarHBondContact NE2-OD2 3.06Å; Q252-Q261 CarbonylContact C-O 3.56Å; Q252-Q261 WeakPolarHBondContact CA-O 3.29Å |
| 253 | K | 92.6 | Very high | 85.3 | Confident | 129 Ų | 129 | 53.4 Ų | 53.4 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 124.9 | 167.3 | -177.4 | -166.7 | 173.8 | -169.8 | 0 | 107.5 | G235 W259 D260 Q261 | G235-K253 WeakPolarHBondContact O-CA 3.45Å; K253-W259 VanDerWaalsContact O-CZ3 3.24Å; K253-W259 WeakPolarHBondContact O-CZ3 3.21Å; K253-D260 PolarHBondContact N-OD1 3.13Å; K253-Q261 PolarHBondContact N-O 2.8Å; K253-Q261 PolarHBondContact O-N 2.8Å |
| 254 | G | 91.1 | Very high | 85.9 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 175.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | G234 G235 W259 | G234-G254 CarbonylContact C-O 3.43Å; G234-G254 WeakPolarHBondContact CA-O 3.45Å; G235-G254 PolarHBondContact N-O 2.93Å; G235-G254 PolarHBondContact O-N 3.02Å; G254-W259 CarbonylContact C-O 3.53Å; G254-W259 WeakPolarHBondContact CA-O 3.41Å |
| 255 | V | 90.1 | Very high | 86.9 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128 | 161.3 | -173.9 | 0 | 0 | 0 | 0 | 105.5 | W216 I232 D257 F258 W259 | W216-V255 HydrophobicContact CH2-CG1 3.97Å; W216-V255 HydrophobicContact CH2-CG2 4.25Å; W216-V255 HydrophobicContact CZ2-CG1 4.44Å; W216-V255 HydrophobicContact CZ2-CG2 3.98Å; I232-V255 HydrophobicContact CG2-CG1 3.38Å; V255-D257 PolarHBondContact O-N 2.94Å; V255-F258 HydrophobicContact CG1-CD2 4.03Å; V255-F258 PolarHBondContact O-N 3.38Å; V255-W259 PolarHBondContact N-O 2.95Å; V255-W259 PolarHBondContact O-N 2.83Å |
| 256 | S | 82.7 | Confident | 87.6 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 26% | 0.259 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 140.5 | -178.5 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | G233 F258 | G233-S256 PolarHBondContact N-OG 2.91Å; G233-S256 WeakPolarHBondContact O-CB 3.15Å; G233-S256 PolarHBondContact O-N 3.27Å; G233-S256 PolarHBondContact O-OG 3.35Å; S256-F258 WeakPolarHBondContact O-CD2 3.34Å; S256-F258 PolarHBondContact O-N 3.24Å |
| 257 | D | 77.8 | Confident | 87.8 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | -43.9 | 177.1 | -40.7 | -30.5 | 0 | 0 | 0 | 113.9 | N227 V255 P283 L284 | N227-D257 PolarHBondContact ND2-OD2 2.97Å; V255-D257 PolarHBondContact O-N 2.94Å; D257-P283 WeakPolarHBondContact O-CB 3.5Å; D257-P283 VanDerWaalsContact O-CD 3.24Å; D257-P283 WeakPolarHBondContact O-CD 3.32Å; D257-L284 HydrophobicContact CB-CD1 3.75Å; D257-L284 HydrophobicContact CB-CD2 4.14Å; D257-L284 HydrophobicContact CB-CG 3.71Å; D257-L284 WeakPolarHBondContact O-CB 3.45Å; D257-L284 WeakPolarHBondContact O-CD1 3.42Å; D257-L284 WeakPolarHBondContact O-CG 3.38Å; D257-L284 PolarHBondContact O-N 3Å |
| 258 | F | 85.8 | Confident | 87.6 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -42.8 | -174.6 | -58.3 | -79.5 | 0 | 0 | 0 | 115.5 | Y224 F226 I232 V255 S256 V282 L284 | Y224-F258 HydrophobicContact CD1-CZ 4.41Å; Y224-F258 HydrophobicContact CE1-CE1 4.21Å; Y224-F258 AromaticContact CE1-CZ 3.59Å; Y224-F258 HydrophobicContact CE1-CZ 3.59Å; Y224-F258 AromaticContact CZ-CZ 3.82Å; F226-F258 HydrophobicContact CE2-CZ 4.26Å; F226-F258 HydrophobicContact CZ-CE1 4.1Å; F226-F258 HydrophobicContact CZ-CZ 4.1Å; I232-F258 HydrophobicContact CD1-CE2 3.7Å; I232-F258 HydrophobicContact CD1-CZ 4.17Å; I232-F258 HydrophobicContact CG1-CE2 3.94Å; I232-F258 HydrophobicContact CG2-CD2 4.46Å; I232-F258 HydrophobicContact CG2-CE2 4.25Å; V255-F258 HydrophobicContact CG1-CD2 4.03Å; V255-F258 PolarHBondContact O-N 3.38Å; S256-F258 WeakPolarHBondContact O-CD2 3.34Å; S256-F258 PolarHBondContact O-N 3.24Å; F258-V282 WeakPolarHBondContact O-CA 3.24Å; F258-V282 VanDerWaalsContact O-CG1 3.31Å; F258-V282 WeakPolarHBondContact O-CG1 3.38Å; F258-V282 WeakPolarHBondContact O-CG2 3.49Å; F258-L284 HydrophobicContact CD1-CD1 3.76Å; F258-L284 HydrophobicContact CE1-CD1 3.82Å; F258-L284 HydrophobicContact CG-CD1 4.28Å; F258-L284 HydrophobicContact CZ-CD1 4.36Å |
| 259 | W | 89.4 | Confident | 87 | Confident | 90 Ų | 90 | 50.9 Ų | 50.9 | 34% | 0.341 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 131 | -169.6 | -177.5 | 80.4 | 0 | 0 | 0 | 112.5 | K253 G254 V255 Q261 G281 | K253-W259 VanDerWaalsContact O-CZ3 3.24Å; K253-W259 WeakPolarHBondContact O-CZ3 3.21Å; G254-W259 CarbonylContact C-O 3.53Å; G254-W259 WeakPolarHBondContact CA-O 3.41Å; V255-W259 PolarHBondContact N-O 2.95Å; V255-W259 PolarHBondContact O-N 2.83Å; W259-Q261 HydrophobicContact CH2-CB 3.46Å; W259-Q261 VanDerWaalsContact CH2-CB 3.46Å; W259-Q261 HydrophobicContact CH2-CG 4.35Å; W259-Q261 HydrophobicContact CZ2-CB 3.46Å; W259-Q261 VanDerWaalsContact CZ2-CB 3.46Å; W259-Q261 HydrophobicContact CZ2-CG 4.22Å; W259-Q261 HydrophobicContact CZ3-CB 4.13Å; W259-G281 WeakPolarHBondContact CA-O 3.48Å |
| 260 | D | 89.6 | Confident | 86 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.214 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143.7 | 164.8 | -176.7 | 37.1 | 0 | 0 | 0 | 110.6 | Q252 K253 W280 G281 | Q252-D260 WeakPolarHBondContact CB-OD1 3.42Å; Q252-D260 WeakPolarHBondContact CG-OD2 3.31Å; Q252-D260 PolarHBondContact NE2-OD2 3.06Å; K253-D260 PolarHBondContact N-OD1 3.13Å; D260-W280 CarbonylContact O-C 3.46Å; D260-W280 WeakPolarHBondContact O-CA 3.48Å; D260-G281 PolarHBondContact N-O 3.3Å; D260-G281 PolarHBondContact O-N 3Å |
| 261 | Q | 90.9 | Very high | 84.9 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 112.7 | 173.4 | -177.2 | 179.5 | 53.6 | 0 | 0 | 109.9 | Q252 K253 W259 G279 | Q252-Q261 CarbonylContact C-O 3.56Å; Q252-Q261 WeakPolarHBondContact CA-O 3.29Å; K253-Q261 PolarHBondContact N-O 2.8Å; K253-Q261 PolarHBondContact O-N 2.8Å; W259-Q261 HydrophobicContact CH2-CB 3.46Å; W259-Q261 VanDerWaalsContact CH2-CB 3.46Å; W259-Q261 HydrophobicContact CH2-CG 4.35Å; W259-Q261 HydrophobicContact CZ2-CB 3.46Å; W259-Q261 VanDerWaalsContact CZ2-CB 3.46Å; W259-Q261 HydrophobicContact CZ2-CG 4.22Å; W259-Q261 HydrophobicContact CZ3-CB 4.13Å; Q261-G279 CarbonylContact C-O 3.56Å; Q261-G279 WeakPolarHBondContact CA-O 3.32Å |
| 262 | G | 90.6 | Very high | 84.1 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T251 R278 G279 | T251-G262 WeakPolarHBondContact O-CA 3.46Å; G262-R278 CarbonylContact O-C 3.39Å; G262-R278 VanDerWaalsContact O-CA 3.31Å; G262-R278 WeakPolarHBondContact O-CA 3.2Å; G262-G279 PolarHBondContact N-O 2.83Å; G262-G279 PolarHBondContact O-N 2.87Å |
| 263 | K | 90.6 | Very high | 83.5 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 140.2 | 149.6 | 175.5 | -172.8 | 175.6 | -167.2 | 0 | 107.8 | T250 T251 A277 R278 | T250-K263 CarbonylContact C-O 3.54Å; T250-K263 WeakPolarHBondContact CA-O 2.94Å; T251-K263 PolarHBondContact N-O 3.02Å; T251-K263 PolarHBondContact O-N 2.94Å; K263-A277 WeakPolarHBondContact CA-O 3.46Å; K263-R278 HydrophobicContact CB-CG 4.38Å; K263-R278 HydrophobicContact CG-CG 4.26Å |
| 264 | V | 87.2 | Confident | 83 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.2 | 173.4 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | R248 V249 T250 N266 P276 A277 F290 | R248-V264 HydrophobicContact CG-CG1 3.84Å; V249-V264 CarbonylContact O-C 3.57Å; V249-V264 WeakPolarHBondContact O-CA 3.37Å; T250-V264 HydrophobicContact CG2-CG1 4.24Å; T250-V264 HydrophobicContact CG2-CG2 4.1Å; V264-N266 VanDerWaalsContact CG1-OD1 3.31Å; V264-N266 WeakPolarHBondContact CG1-OD1 3.21Å; V264-P276 CarbonylContact O-C 3.51Å; V264-P276 WeakPolarHBondContact O-CA 3.44Å; V264-A277 HydrophobicContact CB-CB 4.5Å; V264-A277 PolarHBondContact N-O 2.95Å; V264-A277 PolarHBondContact O-N 3.37Å; V264-F290 HydrophobicContact CG2-CE1 4.47Å |
| 265 | V | 88 | Confident | 82.7 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.2 | 166 | -175.7 | 0 | 0 | 0 | 0 | 106.8 | R248 V249 | R248-V265 WeakPolarHBondContact CA-O 3.16Å; V249-V265 PolarHBondContact N-O 2.82Å; V249-V265 PolarHBondContact O-N 3.06Å |
| 266 | N | 85.3 | Confident | 82.5 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.2 | 173.5 | -54.8 | -70.5 | 0 | 0 | 0 | 109.2 | V264 I273 Y274 G275 | V264-N266 VanDerWaalsContact CG1-OD1 3.31Å; V264-N266 WeakPolarHBondContact CG1-OD1 3.21Å; N266-I273 HydrophobicContact CB-CG2 3.79Å; N266-I273 WeakPolarHBondContact CB-O 3.42Å; N266-Y274 CarbonylContact O-C 3.59Å; N266-Y274 WeakPolarHBondContact O-CA 3.48Å; N266-G275 PolarHBondContact N-O 3.06Å; N266-G275 PolarHBondContact O-N 3.07Å |
| 267 | A | 83.5 | Confident | 82.7 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 35% | 0.347 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 62.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | G246 A247 | G246-A267 VanDerWaalsContact CA-O 3.32Å; G246-A267 WeakPolarHBondContact CA-O 3.46Å; A247-A267 PolarHBondContact N-O 3.12Å; A247-A267 VanDerWaalsContact N-O 3.16Å; A247-A267 PolarHBondContact O-N 3.27Å |
| 268 | N | 79.6 | Confident | 83.2 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 99.6 | -178.6 | -178.9 | -42.7 | 0 | 0 | 0 | 109.9 | W245 Q270 R271 G272 I273 | W245-N268 VanDerWaalsContact CD2-ND2 3.31Å; W245-N268 HydrophobicContact CE3-CB 3.79Å; W245-N268 VanDerWaalsContact CE3-CG 3.47Å; W245-N268 HydrophobicContact CZ3-CB 4.19Å; W245-N268 CarbonylContact O-C 3.59Å; W245-N268 WeakPolarHBondContact O-CA 3.38Å; N268-Q270 PolarHBondContact OD1-N 3.21Å; N268-R271 VanDerWaalsContact OD1-CB 3.31Å; N268-R271 WeakPolarHBondContact OD1-CB 3.47Å; N268-R271 WeakPolarHBondContact OD1-CG 3.31Å; N268-R271 PolarHBondContact OD1-N 3.3Å; N268-G272 CarbonylContact O-C 3.57Å; N268-G272 PolarHBondContact O-N 2.87Å; N268-I273 HydrophobicContact CB-CB 4.37Å; N268-I273 PolarHBondContact N-O 2.87Å; N268-I273 PolarHBondContact O-N 2.81Å |
| 269 | W | 72.7 | Confident | 83.3 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -32.5 | -176 | 59.8 | -99.8 | 0 | 0 | 0 | 113.1 | D244 W245 R271 G272 Y274 L300 | D244-W269 WeakPolarHBondContact O-CZ2 3.05Å; D244-W269 PolarHBondContact O-NE1 3.19Å; W245-W269 PolarHBondContact O-N 3.48Å; W269-R271 VanDerWaalsContact C-N 3.28Å; W269-R271 PolarHBondContact O-N 2.79Å; W269-G272 PolarHBondContact O-N 3.29Å; W269-Y274 WeakPolarHBondContact CA-OH 3.11Å; W269-Y274 HydrophobicContact CB-CE1 4.3Å; W269-Y274 WeakPolarHBondContact CB-OH 3.41Å; W269-L300 HydrophobicContact CB-CD1 4.32Å; W269-L300 HydrophobicContact CD2-CD1 4.33Å; W269-L300 HydrophobicContact CE3-CB 3.89Å; W269-L300 HydrophobicContact CE3-CD1 3.52Å; W269-L300 HydrophobicContact CE3-CG 4.33Å; W269-L300 HydrophobicContact CZ3-CB 4.09Å; W269-L300 HydrophobicContact CZ3-CD1 4.21Å; W269-L300 PolarHBondContact O-N 2.73Å |
| 270 | Q | 67.4 | Low | 83.4 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 19% | 0.192 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -36.4 | 177.5 | -170.9 | -170.6 | 57.8 | 0 | 0 | 111.9 | W245 N268 G299 L300 A301 | W245-Q270 HydrophobicContact CB-CB 3.58Å; W245-Q270 HydrophobicContact CB-CG 4.48Å; N268-Q270 PolarHBondContact OD1-N 3.21Å; Q270-G299 CarbonylContact O-C 3.58Å; Q270-G299 WeakPolarHBondContact O-CA 3.45Å; Q270-L300 PolarHBondContact O-N 2.85Å; Q270-A301 HydrophobicContact CG-CB 4.08Å; Q270-A301 VanDerWaalsContact O-CB 3.29Å; Q270-A301 WeakPolarHBondContact O-CB 3.31Å; Q270-A301 PolarHBondContact O-N 2.85Å; Q270-A301 VanDerWaalsContact O-N 3.08Å |
| 271 | R | 68 | Low | 83.3 | Confident | 170 Ų | 170 | 53.5 Ų | 53.5 | 64% | 0.642 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -5.9 | 176.6 | -60 | -177 | -178.4 | -159 | 0.9 | 113.6 | N268 W269 I273 | N268-R271 VanDerWaalsContact OD1-CB 3.31Å; N268-R271 WeakPolarHBondContact OD1-CB 3.47Å; N268-R271 WeakPolarHBondContact OD1-CG 3.31Å; N268-R271 PolarHBondContact OD1-N 3.3Å; W269-R271 VanDerWaalsContact C-N 3.28Å; W269-R271 PolarHBondContact O-N 2.79Å; R271-I273 HydrophobicContact CB-CB 4.41Å; R271-I273 HydrophobicContact CB-CD1 3.71Å; R271-I273 HydrophobicContact CB-CG1 3.77Å; R271-I273 PolarHBondContact O-N 2.97Å |
| 272 | G | 74.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 19.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | N268 W269 Y274 K296 T297 G299 | N268-G272 CarbonylContact O-C 3.57Å; N268-G272 PolarHBondContact O-N 2.87Å; W269-G272 PolarHBondContact O-N 3.29Å; G272-Y274 WeakPolarHBondContact O-CD2 3.47Å; G272-K296 CarbonylContact O-C 3.42Å; G272-K296 VanDerWaalsContact O-CA 3.29Å; G272-K296 WeakPolarHBondContact O-CA 3.36Å; G272-T297 WeakPolarHBondContact CA-OG1 3.25Å; G272-T297 PolarHBondContact O-N 2.78Å; G272-T297 PolarHBondContact O-OG1 3.42Å; G272-G299 VanDerWaalsContact N-CA 3.27Å |
| 273 | I | 77.3 | Confident | 82.7 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 98.2 | -171.7 | -62.7 | 177.8 | 0 | 0 | 0 | 109.3 | N266 N268 R271 V294 | N266-I273 HydrophobicContact CB-CG2 3.79Å; N266-I273 WeakPolarHBondContact CB-O 3.42Å; N268-I273 HydrophobicContact CB-CB 4.37Å; N268-I273 PolarHBondContact N-O 2.87Å; N268-I273 PolarHBondContact O-N 2.81Å; R271-I273 HydrophobicContact CB-CB 4.41Å; R271-I273 HydrophobicContact CB-CD1 3.71Å; R271-I273 HydrophobicContact CB-CG1 3.77Å; R271-I273 PolarHBondContact O-N 2.97Å; I273-V294 HydrophobicContact CB-CG1 4.5Å; I273-V294 HydrophobicContact CG2-CG1 3.62Å |
| 274 | Y | 81.6 | Confident | 82.2 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143.2 | -178.2 | -59.6 | -82.9 | 0 | 0 | 0 | 112.4 | N266 W269 G272 V294 V295 T297 | N266-Y274 CarbonylContact O-C 3.59Å; N266-Y274 WeakPolarHBondContact O-CA 3.48Å; W269-Y274 WeakPolarHBondContact CA-OH 3.11Å; W269-Y274 HydrophobicContact CB-CE1 4.3Å; W269-Y274 WeakPolarHBondContact CB-OH 3.41Å; G272-Y274 WeakPolarHBondContact O-CD2 3.47Å; Y274-V294 CarbonylContact O-C 3.56Å; Y274-V294 WeakPolarHBondContact O-CA 3.41Å; Y274-V295 PolarHBondContact N-O 2.91Å; Y274-V295 PolarHBondContact O-N 3.27Å; Y274-T297 HydrophobicContact CD2-CG2 4.18Å; Y274-T297 HydrophobicContact CE2-CG2 4.13Å |
| 275 | G | 84.9 | Confident | 82 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 22% | 0.216 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 103.8 | -179.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N266 | N266-G275 PolarHBondContact N-O 3.06Å; N266-G275 PolarHBondContact O-N 3.07Å |
| 276 | P | 86.3 | Confident | 81.8 | Confident | 52 Ų | 52 | 58 Ų | 58 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 124.8 | -172.4 | 32.3 | -33.4 | 0 | 0 | 0 | 113.4 | V264 N293 | V264-P276 CarbonylContact O-C 3.51Å; V264-P276 WeakPolarHBondContact O-CA 3.44Å; P276-N293 WeakPolarHBondContact CD-O 3.41Å; P276-N293 HydrophobicContact CG-CB 4.35Å; P276-N293 CarbonylContact O-C 3.57Å; P276-N293 WeakPolarHBondContact O-CA 3.4Å; P276-N293 WeakPolarHBondContact O-CB 3.32Å; P276-N293 PolarHBondContact O-N 2.79Å |
| 277 | A | 85.2 | Confident | 81.6 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 149.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K263 V264 F290 R291 V294 | K263-A277 WeakPolarHBondContact CA-O 3.46Å; V264-A277 HydrophobicContact CB-CB 4.5Å; V264-A277 PolarHBondContact N-O 2.95Å; V264-A277 PolarHBondContact O-N 3.37Å; A277-F290 HydrophobicContact CB-CD1 4.4Å; A277-R291 WeakPolarHBondContact CA-O 3.4Å; A277-V294 HydrophobicContact CB-CG2 4.14Å |
| 278 | R | 88.8 | Confident | 81.5 | Confident | 170 Ų | 170 | 61.6 Ų | 61.6 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.9 | 168.5 | -58 | -176 | -165.5 | -175.2 | 5.3 | 108.7 | G262 K263 F290 R291 | G262-R278 CarbonylContact O-C 3.39Å; G262-R278 VanDerWaalsContact O-CA 3.31Å; G262-R278 WeakPolarHBondContact O-CA 3.2Å; K263-R278 HydrophobicContact CB-CG 4.38Å; K263-R278 HydrophobicContact CG-CG 4.26Å; R278-F290 CarbonylContact O-C 3.58Å; R278-F290 WeakPolarHBondContact O-CA 3.23Å; R278-R291 PolarHBondContact N-O 2.8Å; R278-R291 PolarHBondContact O-N 3.07Å; R278-R291 VanDerWaalsContact O-O 3.08Å |
| 279 | G | 88.7 | Confident | 81.5 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 173.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q261 G262 G289 | Q261-G279 CarbonylContact C-O 3.56Å; Q261-G279 WeakPolarHBondContact CA-O 3.32Å; G262-G279 PolarHBondContact N-O 2.83Å; G262-G279 PolarHBondContact O-N 2.87Å; G279-G289 CarbonylContact C-O 3.32Å; G279-G289 WeakPolarHBondContact CA-O 3.46Å |
| 280 | W | 90.7 | Very high | 81.6 | Confident | 118 Ų | 118 | 64.2 Ų | 64.2 | 45% | 0.447 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 161.6 | 176.3 | 65 | -84.1 | 0 | 0 | 0 | 109.7 | D260 V282 I287 G288 G289 | D260-W280 CarbonylContact O-C 3.46Å; D260-W280 WeakPolarHBondContact O-CA 3.48Å; W280-V282 HydrophobicContact CZ3-CG2 4.17Å; W280-I287 HydrophobicContact CH2-CD1 4.42Å; W280-I287 HydrophobicContact CH2-CG1 4.45Å; W280-I287 HydrophobicContact CZ3-CD1 4.37Å; W280-I287 HydrophobicContact CZ3-CG1 4.21Å; W280-G288 CarbonylContact O-C 3.44Å; W280-G288 WeakPolarHBondContact O-CA 3.35Å; W280-G289 PolarHBondContact N-O 3.11Å; W280-G289 PolarHBondContact O-N 2.88Å |
| 281 | G | 87.8 | Confident | 82.1 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 16% | 0.155 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 164 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W259 D260 I287 | W259-G281 WeakPolarHBondContact CA-O 3.48Å; D260-G281 PolarHBondContact N-O 3.3Å; D260-G281 PolarHBondContact O-N 3Å; G281-I287 CarbonylContact C-O 3.49Å; G281-I287 WeakPolarHBondContact CA-O 3.11Å |
| 282 | V | 88.5 | Confident | 82.3 | Confident | 35 Ų | 35 | 68 Ų | 68 | 21% | 0.212 | 38% | 0.379 | C | S | . | . | trans | -118.4 | 92.1 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 106 | F258 W280 L284 V285 G286 I287 | F258-V282 WeakPolarHBondContact O-CA 3.24Å; F258-V282 VanDerWaalsContact O-CG1 3.31Å; F258-V282 WeakPolarHBondContact O-CG1 3.38Å; F258-V282 WeakPolarHBondContact O-CG2 3.49Å; W280-V282 HydrophobicContact CZ3-CG2 4.17Å; V282-L284 PolarHBondContact O-N 2.97Å; V282-L284 VanDerWaalsContact O-N 3.12Å; V282-V285 HydrophobicContact CB-CG2 4.03Å; V282-V285 HydrophobicContact CG1-CG1 4.44Å; V282-V285 HydrophobicContact CG1-CG2 3.64Å; V282-V285 PolarHBondContact O-N 3.23Å; V282-V285 VanDerWaalsContact O-N 3.11Å; V282-G286 PolarHBondContact O-N 3.12Å; V282-I287 HydrophobicContact CB-CD1 4.45Å; V282-I287 HydrophobicContact CB-CG1 3.96Å; V282-I287 HydrophobicContact CG2-CD1 4.45Å; V282-I287 HydrophobicContact CG2-CG1 4.29Å; V282-I287 PolarHBondContact N-O 2.87Å | ||
| 283 | P | 80.5 | Confident | 82.2 | Confident | 81 Ų | 81 | 74 Ų | 74 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -51.3 | -39 | -171.2 | -29.4 | 33.7 | 0 | 0 | 0 | 114.4 | D257 V285 G286 | D257-P283 WeakPolarHBondContact O-CB 3.5Å; D257-P283 VanDerWaalsContact O-CD 3.24Å; D257-P283 WeakPolarHBondContact O-CD 3.32Å; P283-V285 VanDerWaalsContact C-N 3.27Å; P283-V285 PolarHBondContact O-N 2.85Å; P283-G286 PolarHBondContact O-N 2.76Å |
| 284 | L | 79.2 | Confident | 82 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -56.9 | -32.2 | 179.7 | -82.8 | 162.7 | 0 | 0 | 0 | 115.6 | F226 D257 F258 V282 | F226-L284 HydrophobicContact CB-CD2 4.16Å; F226-L284 HydrophobicContact CD1-CD2 3.91Å; F226-L284 HydrophobicContact CD2-CD1 4.33Å; F226-L284 HydrophobicContact CD2-CD2 3.34Å; F226-L284 HydrophobicContact CD2-CG 4.44Å; F226-L284 HydrophobicContact CE1-CD1 4.24Å; F226-L284 HydrophobicContact CE1-CD2 4.07Å; F226-L284 HydrophobicContact CE2-CD1 3.62Å; F226-L284 HydrophobicContact CE2-CD2 3.53Å; F226-L284 HydrophobicContact CE2-CG 4.2Å; F226-L284 HydrophobicContact CG-CD2 3.53Å; F226-L284 HydrophobicContact CZ-CD1 3.55Å; F226-L284 HydrophobicContact CZ-CD2 3.88Å; F226-L284 HydrophobicContact CZ-CG 4.38Å; D257-L284 HydrophobicContact CB-CD1 3.75Å; D257-L284 HydrophobicContact CB-CD2 4.14Å; D257-L284 HydrophobicContact CB-CG 3.71Å; D257-L284 WeakPolarHBondContact O-CB 3.45Å; D257-L284 WeakPolarHBondContact O-CD1 3.42Å; D257-L284 WeakPolarHBondContact O-CG 3.38Å; D257-L284 PolarHBondContact O-N 3Å; F258-L284 HydrophobicContact CD1-CD1 3.76Å; F258-L284 HydrophobicContact CE1-CD1 3.82Å; F258-L284 HydrophobicContact CG-CD1 4.28Å; F258-L284 HydrophobicContact CZ-CD1 4.36Å; V282-L284 PolarHBondContact O-N 2.97Å; V282-L284 VanDerWaalsContact O-N 3.12Å |
| 285 | V | 84.7 | Confident | 81.5 | Confident | 93 Ų | 93 | 74.1 Ų | 74.1 | 56% | 0.564 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -118.6 | 10.1 | -175.1 | -47.6 | 0 | 0 | 0 | 0 | 112.3 | V282 P283 I287 | V282-V285 HydrophobicContact CB-CG2 4.03Å; V282-V285 HydrophobicContact CG1-CG1 4.44Å; V282-V285 HydrophobicContact CG1-CG2 3.64Å; V282-V285 PolarHBondContact O-N 3.23Å; V282-V285 VanDerWaalsContact O-N 3.11Å; P283-V285 VanDerWaalsContact C-N 3.27Å; P283-V285 PolarHBondContact O-N 2.85Å; V285-I287 HydrophobicContact CG2-CB 4.32Å; V285-I287 HydrophobicContact CG2-CD1 3.74Å; V285-I287 HydrophobicContact CG2-CG1 3.6Å; V285-I287 HydrophobicContact CG2-CG2 4.13Å; V285-I287 PolarHBondContact O-N 3.11Å |
| 286 | G | 82.7 | Confident | 80.8 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 72% | 0.722 | 45% | 0.446 | S | S | * | . | trans | 68.5 | -8.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | V282 P283 | V282-G286 PolarHBondContact O-N 3.12Å; P283-G286 PolarHBondContact O-N 2.76Å | ||
| 287 | I | 80.6 | Confident | 79.7 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | trans | -74.2 | 147.5 | -179 | 71.3 | -175.1 | 0 | 0 | 0 | 112 | W280 G281 V282 V285 | W280-I287 HydrophobicContact CH2-CD1 4.42Å; W280-I287 HydrophobicContact CH2-CG1 4.45Å; W280-I287 HydrophobicContact CZ3-CD1 4.37Å; W280-I287 HydrophobicContact CZ3-CG1 4.21Å; G281-I287 CarbonylContact C-O 3.49Å; G281-I287 WeakPolarHBondContact CA-O 3.11Å; V282-I287 HydrophobicContact CB-CD1 4.45Å; V282-I287 HydrophobicContact CB-CG1 3.96Å; V282-I287 HydrophobicContact CG2-CD1 4.45Å; V282-I287 HydrophobicContact CG2-CG1 4.29Å; V282-I287 PolarHBondContact N-O 2.87Å; V285-I287 HydrophobicContact CG2-CB 4.32Å; V285-I287 HydrophobicContact CG2-CD1 3.74Å; V285-I287 HydrophobicContact CG2-CG1 3.6Å; V285-I287 HydrophobicContact CG2-CG2 4.13Å; V285-I287 PolarHBondContact O-N 3.11Å | ||
| 288 | G | 82.4 | Confident | 78.2 | Confident | 50 Ų | 50 | 84 Ų | 84 | 52% | 0.515 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 174.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | W280 | W280-G288 CarbonylContact O-C 3.44Å; W280-G288 WeakPolarHBondContact O-CA 3.35Å |
| 289 | G | 78.5 | Confident | 76.5 | Confident | 31 Ų | 31 | 76.4 Ų | 76.4 | 32% | 0.32 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 123.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | G279 W280 | G279-G289 CarbonylContact C-O 3.32Å; G279-G289 WeakPolarHBondContact CA-O 3.46Å; W280-G289 PolarHBondContact N-O 3.11Å; W280-G289 PolarHBondContact O-N 2.88Å |
| 290 | F | 76.4 | Confident | 74.7 | Confident | 121 Ų | 121 | 76.7 Ų | 76.7 | 53% | 0.531 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.1 | 170 | -89.4 | -97 | 0 | 0 | 0 | 110.4 | V264 A277 R278 | V264-F290 HydrophobicContact CG2-CE1 4.47Å; A277-F290 HydrophobicContact CB-CD1 4.4Å; R278-F290 CarbonylContact O-C 3.58Å; R278-F290 WeakPolarHBondContact O-CA 3.23Å |
| 291 | R | 76.2 | Confident | 72.7 | Confident | 212 Ų | 212 | 72.4 Ų | 72.4 | 80% | 0.8 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 113.8 | 165.4 | -69.2 | -175.4 | 177.7 | -119.8 | 1.3 | 108.6 | A277 R278 | A277-R291 WeakPolarHBondContact CA-O 3.4Å; R278-R291 PolarHBondContact N-O 2.8Å; R278-R291 PolarHBondContact O-N 3.07Å; R278-R291 VanDerWaalsContact O-O 3.08Å |
| 292 | S | 73.5 | Confident | 70.8 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 105.1 | 179.7 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | V294 | S292-V294 PolarHBondContact O-N 2.89Å |
| 293 | N | 72.4 | Confident | 68.7 | Low | 127 Ų | 127 | 76.7 Ų | 76.7 | 68% | 0.679 | 46% | 0.457 | S | S | * | . | trans | -82.8 | 54.2 | 162.9 | -65.4 | 24 | 0 | 0 | 0 | 108 | P276 | P276-N293 WeakPolarHBondContact CD-O 3.41Å; P276-N293 HydrophobicContact CG-CB 4.35Å; P276-N293 CarbonylContact O-C 3.57Å; P276-N293 WeakPolarHBondContact O-CA 3.4Å; P276-N293 WeakPolarHBondContact O-CB 3.32Å; P276-N293 PolarHBondContact O-N 2.79Å | ||
| 294 | V | 71.7 | Confident | 67.2 | Low | 30 Ų | 30 | 77 Ų | 77 | 18% | 0.182 | 47% | 0.466 | C | S | . | . | trans | -104.4 | 114.1 | -173.1 | 169.3 | 0 | 0 | 0 | 0 | 108 | I273 Y274 A277 S292 K296 | I273-V294 HydrophobicContact CB-CG1 4.5Å; I273-V294 HydrophobicContact CG2-CG1 3.62Å; Y274-V294 CarbonylContact O-C 3.56Å; Y274-V294 WeakPolarHBondContact O-CA 3.41Å; A277-V294 HydrophobicContact CB-CG2 4.14Å; S292-V294 PolarHBondContact O-N 2.89Å; V294-K296 PolarHBondContact O-N 3Å | ||
| 295 | V | 71.2 | Confident | 65.8 | Low | 78 Ų | 78 | 75.6 Ų | 75.6 | 47% | 0.473 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 121.6 | 166.6 | -178.9 | 0 | 0 | 0 | 0 | 106.8 | Y274 T297 | Y274-V295 PolarHBondContact N-O 2.91Å; Y274-V295 PolarHBondContact O-N 3.27Å; V295-T297 HydrophobicContact CG1-CG2 4.09Å |
| 296 | K | 69.9 | Low | 64.3 | Low | 172 Ų | 172 | 72.3 Ų | 72.3 | 75% | 0.748 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 103.2 | 164 | -69.2 | -178.6 | -178.5 | 176.6 | 0 | 107.4 | G272 V294 | G272-K296 CarbonylContact O-C 3.42Å; G272-K296 VanDerWaalsContact O-CA 3.29Å; G272-K296 WeakPolarHBondContact O-CA 3.36Å; V294-K296 PolarHBondContact O-N 3Å |
| 297 | T | 63.2 | Low | 62.6 | Low | 39 Ų | 39 | 73 Ų | 73 | 24% | 0.239 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 172.5 | 161.5 | 64.4 | 0 | 0 | 0 | 0 | 108.9 | G272 Y274 V295 G299 | G272-T297 WeakPolarHBondContact CA-OG1 3.25Å; G272-T297 PolarHBondContact O-N 2.78Å; G272-T297 PolarHBondContact O-OG1 3.42Å; Y274-T297 HydrophobicContact CD2-CG2 4.18Å; Y274-T297 HydrophobicContact CE2-CG2 4.13Å; V295-T297 HydrophobicContact CG1-CG2 4.09Å; T297-G299 PolarHBondContact O-N 2.93Å |
| 298 | S | 55 | Low | 60.8 | Low | 77 Ų | 77 | 69.7 Ų | 69.7 | 54% | 0.538 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 128.7 | 149.4 | 51.3 | 0 | 0 | 0 | 0 | 107.6 | D305 | S298-D305 WeakPolarHBondContact CB-OD1 3.37Å; S298-D305 WeakPolarHBondContact CB-OD2 3.45Å; S298-D305 PolarHBondContact OG-OD1 2.91Å; S298-D305 PolarHBondContact OG-OD2 2.8Å |
| 299 | G | 52.6 | Low | 58.9 | Low | 11 Ų | 11 | 70 Ų | 70 | 11% | 0.113 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 140.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q270 G272 T297 A301 A302 D305 | Q270-G299 CarbonylContact O-C 3.58Å; Q270-G299 WeakPolarHBondContact O-CA 3.45Å; G272-G299 VanDerWaalsContact N-CA 3.27Å; T297-G299 PolarHBondContact O-N 2.93Å; G299-A301 CarbonylContact O-C 3.56Å; G299-A301 PolarHBondContact O-N 2.84Å; G299-A302 WeakPolarHBondContact O-CB 3.47Å; G299-A302 PolarHBondContact O-N 2.82Å; G299-D305 VanDerWaalsContact O-OD2 3.12Å |
| 300 | L | 52 | Low | 57.3 | Low | 13 Ų | 13 | 74.5 Ų | 74.5 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -1.2 | -175.7 | -73.1 | 150.1 | 0 | 0 | 0 | 114.9 | W269 Q270 A302 D305 W306 L309 P315 | W269-L300 HydrophobicContact CB-CD1 4.32Å; W269-L300 HydrophobicContact CD2-CD1 4.33Å; W269-L300 HydrophobicContact CE3-CB 3.89Å; W269-L300 HydrophobicContact CE3-CD1 3.52Å; W269-L300 HydrophobicContact CE3-CG 4.33Å; W269-L300 HydrophobicContact CZ3-CB 4.09Å; W269-L300 HydrophobicContact CZ3-CD1 4.21Å; W269-L300 PolarHBondContact O-N 2.73Å; Q270-L300 PolarHBondContact O-N 2.85Å; L300-A302 VanDerWaalsContact C-N 3.3Å; L300-D305 HydrophobicContact CD2-CB 3.94Å; L300-W306 PolarHBondContact O-NE1 2.88Å; L300-L309 HydrophobicContact CD2-CD1 4.16Å; L300-L309 HydrophobicContact CD2-CD2 4.13Å; L300-L309 HydrophobicContact CD2-CG 3.92Å; L300-P315 HydrophobicContact CD2-CG 4.35Å |
| 301 | A | 48.6 | Very low | 55.7 | Low | 27 Ų | 27 | 73.3 Ų | 73.3 | 22% | 0.223 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -4.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K200 Q270 G299 | K200-A301 HydrophobicContact CD-CB 4.43Å; Q270-A301 HydrophobicContact CG-CB 4.08Å; Q270-A301 VanDerWaalsContact O-CB 3.29Å; Q270-A301 WeakPolarHBondContact O-CB 3.31Å; Q270-A301 PolarHBondContact O-N 2.85Å; Q270-A301 VanDerWaalsContact O-N 3.08Å; G299-A301 CarbonylContact O-C 3.56Å; G299-A301 PolarHBondContact O-N 2.84Å |
| 302 | A | 46.9 | Very low | 53.6 | Low | 37 Ų | 37 | 65.7 Ų | 65.7 | 31% | 0.306 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -88.9 | 127.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G299 L300 A304 D305 W306 | G299-A302 WeakPolarHBondContact O-CB 3.47Å; G299-A302 PolarHBondContact O-N 2.82Å; L300-A302 VanDerWaalsContact C-N 3.3Å; A302-A304 PolarHBondContact O-N 3.46Å; A302-D305 PolarHBondContact O-N 3.4Å; A302-W306 PolarHBondContact O-NE1 2.92Å |
| 303 | P | 45.5 | Very low | 51.6 | Low | 104 Ų | 104 | 63.5 Ų | 63.5 | 68% | 0.675 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -56.9 | -23.2 | -175.2 | -28.9 | 36.2 | 0 | 0 | 0 | 115.6 | W306 | P303-W306 WeakPolarHBondContact O-CB 3.17Å; P303-W306 PolarHBondContact O-N 3.47Å |
| 304 | A | 48.2 | Very low | 50 | Low | 87 Ų | 87 | 62.6 Ų | 62.6 | 72% | 0.719 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -71.4 | -25.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | A302 W306 P307 | A302-A304 PolarHBondContact O-N 3.46Å; A304-W306 VanDerWaalsContact C-N 3.29Å; A304-P307 WeakPolarHBondContact O-CD 2.97Å |
| 305 | D | 50 | Low | 48.4 | Very low | 35 Ų | 35 | 63.7 Ų | 63.7 | 19% | 0.187 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -83.4 | -7.5 | 179.3 | -58.5 | -47.3 | 0 | 0 | 0 | 112.3 | S298 G299 L300 A302 A308 | S298-D305 WeakPolarHBondContact CB-OD1 3.37Å; S298-D305 WeakPolarHBondContact CB-OD2 3.45Å; S298-D305 PolarHBondContact OG-OD1 2.91Å; S298-D305 PolarHBondContact OG-OD2 2.8Å; G299-D305 VanDerWaalsContact O-OD2 3.12Å; L300-D305 HydrophobicContact CD2-CB 3.94Å; A302-D305 PolarHBondContact O-N 3.4Å; D305-A308 PolarHBondContact O-N 2.83Å |
| 306 | W | 52.5 | Low | 46.8 | Very low | 24 Ų | 24 | 65.4 Ų | 65.4 | 9% | 0.091 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.1 | -23 | -173.4 | -68.4 | 22.1 | 0 | 0 | 0 | 115.4 | I194 L300 A302 P303 A304 A308 L309 R310 | I194-W306 HydrophobicContact CB-CH2 4.36Å; I194-W306 HydrophobicContact CB-CZ3 4.07Å; I194-W306 HydrophobicContact CG1-CH2 4.08Å; I194-W306 HydrophobicContact CG1-CZ3 4.27Å; I194-W306 HydrophobicContact CG2-CE3 3.76Å; I194-W306 HydrophobicContact CG2-CH2 4.28Å; I194-W306 HydrophobicContact CG2-CZ3 3.63Å; I194-W306 WeakPolarHBondContact O-CZ3 3.45Å; L300-W306 PolarHBondContact O-NE1 2.88Å; A302-W306 PolarHBondContact O-NE1 2.92Å; P303-W306 WeakPolarHBondContact O-CB 3.17Å; P303-W306 PolarHBondContact O-N 3.47Å; A304-W306 VanDerWaalsContact C-N 3.29Å; W306-A308 PolarHBondContact O-N 2.83Å; W306-L309 PolarHBondContact O-N 3.13Å; W306-R310 PolarHBondContact O-N 3.19Å; W306-R310 VanDerWaalsContact O-N 3.15Å |
| 307 | P | 46.4 | Very low | 45.6 | Very low | 85 Ų | 85 | 60.9 Ų | 60.9 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.5 | -28.5 | 169.2 | -26.4 | 37.2 | 0 | 0 | 0 | 114.4 | A304 R310 S311 | A304-P307 WeakPolarHBondContact O-CD 2.97Å; P307-R310 WeakPolarHBondContact O-CB 3.2Å; P307-R310 PolarHBondContact O-N 2.89Å; P307-S311 PolarHBondContact O-N 2.89Å |
| 308 | A | 44.6 | Very low | 44.7 | Very low | 26 Ų | 26 | 63.3 Ų | 63.3 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D305 W306 R310 S311 G313 P315 | D305-A308 PolarHBondContact O-N 2.83Å; W306-A308 PolarHBondContact O-N 2.83Å; A308-R310 VanDerWaalsContact C-N 3.25Å; A308-R310 PolarHBondContact O-N 2.79Å; A308-S311 PolarHBondContact O-N 2.81Å; A308-S311 PolarHBondContact O-OG 2.94Å; A308-G313 CarbonylContact C-O 3.53Å; A308-G313 PolarHBondContact O-N 3.07Å; A308-G313 VanDerWaalsContact O-O 3.04Å; A308-P315 HydrophobicContact CB-CB 4.23Å; A308-P315 HydrophobicContact CB-CG 3.96Å |
| 309 | L | 42.4 | Very low | 44 | Very low | 55 Ų | 55 | 65.3 Ų | 65.3 | 29% | 0.288 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.2 | -29.4 | 172.6 | -63.9 | 173 | 0 | 0 | 0 | 112.1 | L300 W306 G312 | L300-L309 HydrophobicContact CD2-CD1 4.16Å; L300-L309 HydrophobicContact CD2-CD2 4.13Å; L300-L309 HydrophobicContact CD2-CG 3.92Å; W306-L309 PolarHBondContact O-N 3.13Å; L309-G312 PolarHBondContact O-N 3.37Å |
| 310 | R | 44.3 | Very low | 43.5 | Very low | 126 Ų | 126 | 68.6 Ų | 68.6 | 48% | 0.475 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.7 | -31.1 | 175.6 | -70.8 | 178.5 | -176 | -129.7 | 0.5 | 113.3 | Y195 W306 P307 A308 G312 | Y195-R310 HydrophobicContact CE1-CG 3.82Å; Y195-R310 WeakPolarHBondContact OH-CG 3.24Å; W306-R310 PolarHBondContact O-N 3.19Å; W306-R310 VanDerWaalsContact O-N 3.15Å; P307-R310 WeakPolarHBondContact O-CB 3.2Å; P307-R310 PolarHBondContact O-N 2.89Å; A308-R310 VanDerWaalsContact C-N 3.25Å; A308-R310 PolarHBondContact O-N 2.79Å; R310-G312 VanDerWaalsContact C-N 3.33Å |
| 311 | S | 43.5 | Very low | 42.9 | Very low | 96 Ų | 96 | 73.5 Ų | 73.5 | 67% | 0.671 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.7 | 177.3 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | P307 A308 G313 | P307-S311 PolarHBondContact O-N 2.89Å; A308-S311 PolarHBondContact O-N 2.81Å; A308-S311 PolarHBondContact O-OG 2.94Å; S311-G313 PolarHBondContact O-N 2.98Å |
| 312 | G | 31.2 | Very low | 42.7 | Very low | 53 Ų | 53 | 75.7 Ų | 75.7 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 4.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | L309 R310 | L309-G312 PolarHBondContact O-N 3.37Å; R310-G312 VanDerWaalsContact C-N 3.33Å |
| 313 | G | 31.5 | Very low | 42.4 | Very low | 32 Ų | 32 | 80 Ų | 80 | 33% | 0.33 | 53% | 0.534 | S | S | . | . | trans | -93.9 | 123.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | A308 S311 P315 | A308-G313 CarbonylContact C-O 3.53Å; A308-G313 PolarHBondContact O-N 3.07Å; A308-G313 VanDerWaalsContact O-O 3.04Å; S311-G313 PolarHBondContact O-N 2.98Å; G313-P315 VanDerWaalsContact O-CD 3.28Å; G313-P315 WeakPolarHBondContact O-CD 3.35Å | ||
| 314 | V | 39.3 | Very low | 42.1 | Very low | 107 Ų | 107 | 81.4 Ų | 81.4 | 65% | 0.648 | 54% | 0.54 | S | S | * | . | trans | -68 | 115 | 153.8 | 180 | 0 | 0 | 0 | 0 | 106 | ||||
| 315 | P | 37.1 | Very low | 41.4 | Very low | 53 Ų | 53 | 80.9 Ų | 80.9 | 34% | 0.344 | 54% | 0.536 | S | S | . | . | trans | -64.5 | 129.6 | -178.7 | 26.1 | -32.2 | 0 | 0 | 0 | 108.7 | L300 A308 G313 | L300-P315 HydrophobicContact CD2-CG 4.35Å; A308-P315 HydrophobicContact CB-CB 4.23Å; A308-P315 HydrophobicContact CB-CG 3.96Å; G313-P315 VanDerWaalsContact O-CD 3.28Å; G313-P315 WeakPolarHBondContact O-CD 3.35Å | ||
| 316 | P | 37.4 | Very low | 40.9 | Very low | 114 Ų | 114 | 87.6 Ų | 87.6 | 74% | 0.74 | 57% | 0.566 | S | S | * | * | trans | -59.2 | 146.5 | 171.2 | 27 | -33.8 | 0 | 0 | 0 | 108.6 | A318 | P316-A318 PolarHBondContact O-N 2.79Š| ||
| 317 | P | 44.9 | Very low | 40.2 | Very low | 78 Ų | 78 | 92.3 Ų | 92.3 | 51% | 0.506 | 60% | 0.6 | S | S | . | * | trans | -59.6 | 114 | -178.3 | 24.7 | -33.7 | 0 | 0 | 0 | 109.4 | L319 | P317-L319 PolarHBondContact O-N 3.04Š| ||
| 318 | A | 44.5 | Very low | 39.7 | Very low | 90 Ų | 90 | 97.8 Ų | 97.8 | 74% | 0.744 | 62% | 0.615 | S | S | * | * | trans | -59.3 | 106.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | P316 | P316-A318 PolarHBondContact O-N 2.79Š| ||
| 319 | L | 40.9 | Very low | 39.2 | Very low | 119 Ų | 119 | 105.5 Ų | 105.5 | 62% | 0.623 | 64% | 0.644 | S | S | * | * | trans | -61.6 | 138.6 | 176.3 | -69.6 | 173.3 | 0 | 0 | 0 | 108.5 | P317 A321 M323 | P317-L319 PolarHBondContact O-N 3.04Å; L319-A321 PolarHBondContact O-N 3.04Å; L319-M323 HydrophobicContact CB-CB 4.4Å | ||
| 320 | P | 42.1 | Very low | 39 | Very low | 79 Ų | 79 | 108.5 Ų | 108.5 | 51% | 0.513 | 67% | 0.667 | S | S | . | * | trans | -58.5 | 132.3 | 176.1 | 25.3 | -33.5 | 0 | 0 | 0 | 109.4 | G322 M323 | P320-G322 PolarHBondContact O-N 3.1Å; P320-M323 HydrophobicContact CG-CE 4.48Å; P320-M323 HydrophobicContact CG-CG 4.37Å; P320-M323 HydrophobicContact CG-SD 4.11Å; P320-M323 PolarHBondContact O-N 3.03Å; P320-M323 VanDerWaalsContact O-N 3.11Å | ||
| 321 | A | 40.2 | Very low | 38.7 | Very low | 116 Ų | 116 | 111 Ų | 111 | 96% | 0.959 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 112.9 | 180 | 0 | 0 | 0 | 0 | 0 | 109.7 | L319 | L319-A321 PolarHBondContact O-N 3.04Š|
| 322 | G | 44.1 | Very low | 38 | Very low | 73 Ų | 73 | 109.4 Ų | 109.4 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.3 | -14.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P320 | P320-G322 PolarHBondContact O-N 3.1Š|
| 323 | M | 39 | Very low | 38.3 | Very low | 129 Ų | 129 | 115.3 Ų | 115.3 | 64% | 0.635 | 71% | 0.705 | S | S | * | * | trans | -99.3 | 86.2 | 172.1 | -69.4 | -171.2 | 174.5 | 0 | 0 | 112.1 | L319 P320 | L319-M323 HydrophobicContact CB-CB 4.4Å; P320-M323 HydrophobicContact CG-CE 4.48Å; P320-M323 HydrophobicContact CG-CG 4.37Å; P320-M323 HydrophobicContact CG-SD 4.11Å; P320-M323 PolarHBondContact O-N 3.03Å; P320-M323 VanDerWaalsContact O-N 3.11Å | ||
| 324 | V | 40.9 | Very low | 38.6 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | -138.9 | 136 | -176.1 | 175.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 325 | A | 33.5 | Very low | 38.3 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | cis | -155.8 | 167.8 | -9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 326 | H | 37.9 | Very low | 38.6 | Very low | 175 Ų | 175 | 124.7 Ų | 124.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -130.2 | 133.9 | 155.2 | -73.2 | -44.1 | 0 | 0 | 0 | 110 | F328 | H326-F328 PolarHBondContact O-N 2.99Š| ||
| 327 | P | 39 | Very low | 38.6 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | trans | -85.8 | 104.7 | -172.3 | 32.6 | -33.9 | 0 | 0 | 0 | 112.2 | K329 | P327-K329 PolarHBondContact O-N 3.35Š| ||
| 328 | F | 35 | Very low | 38.2 | Very low | 199 Ų | 199 | 130 Ų | 130 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | -79.3 | 104.6 | 158.3 | -90.2 | -86.1 | 0 | 0 | 0 | 109.3 | H326 P330 | H326-F328 PolarHBondContact O-N 2.99Å; F328-P330 WeakPolarHBondContact O-CD 3.21Å | ||
| 329 | K | 35.6 | Very low | 38.2 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 125 | 167.1 | -83.8 | -176.1 | 170.3 | -177.4 | 0 | 109.2 | P327 | P327-K329 PolarHBondContact O-N 3.35Š|
| 330 | P | 36.9 | Very low | 38.1 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 134.3 | 160.8 | 29.7 | -31.9 | 0 | 0 | 0 | 109 | F328 | F328-P330 WeakPolarHBondContact O-CD 3.21Š|
| 331 | I | 38.8 | Very low | 38 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 123.7 | 162.4 | -64.2 | 174.8 | 0 | 0 | 0 | 105.9 | ||
| 332 | G | 28.9 | Very low | 37.9 | Very low | 64 Ų | 64 | 142.8 Ų | 142.8 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 167.5 | -157.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 333 | L | 37.3 | Very low | 37.5 | Very low | 177 Ų | 177 | 150 Ų | 150 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | trans | -129.3 | 154 | 153.6 | -83.2 | 168.3 | 0 | 0 | 0 | 108.1 | ||||
| 334 | S | 38.3 | Very low | 37.7 | Very low | 112 Ų | 112 | 148.6 Ų | 148.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -59.5 | 135.9 | -176 | 37.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 335 | S | 32.8 | Very low | 37.6 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | 78.4 | 85.6 | 51 | -172.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 336 | I | 41.9 | Very low | 38 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -134.8 | 134.7 | 147.8 | -60.7 | -177.2 | 0 | 0 | 0 | 105.8 | ||||
| 337 | E | 38 | Very low | 38.1 | Very low | 179 Ų | 179 | 150 Ų | 150 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -87.7 | 154.9 | -171.7 | -70.6 | 175.7 | 105.3 | 0 | 0 | 113.8 | ||||
| 338 | P | 36 | Very low | 38.1 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -93.7 | 163.5 | 169.8 | 38.3 | -34 | 0 | 0 | 0 | 112.6 | ||||
| 339 | T | 44.8 | Very low | 38.3 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -126 | 129.1 | 166.8 | -51.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 340 | E | 39.8 | Very low | 38.6 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -77.1 | 158.3 | 178.1 | -61.2 | -177.5 | 80.4 | 0 | 0 | 113.3 | ||||
| 341 | S | 38.4 | Very low | 38.8 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | 179.4 | 138.9 | 108.6 | 41.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 342 | R | 39.8 | Very low | 38.9 | Very low | 242 Ų | 242 | 135.5 Ų | 135.5 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | 61.9 | 94.4 | 142.9 | -64.8 | 175.8 | -173.1 | -177.2 | 3.3 | 121.6 | ||||
| 343 | Y | 34.3 | Very low | 39.5 | Very low | 223 Ų | 223 | 138.9 Ų | 138.9 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | -30.3 | 172.2 | 124.4 | -86.3 | -77.9 | 0 | 0 | 0 | 117 | |||||
| 344 | P | 44.5 | Very low | 39.9 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | cis | -141.2 | 175.4 | -0.1 | 33 | -10.3 | 0 | 0 | 0 | 118.8 | ||||
| 345 | T | 38.4 | Very low | 40 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 55.8 | 129.4 | 146.3 | 43.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 346 | S | 41.2 | Very low | 40.4 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | -155 | 168 | 125.8 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 347 | L | 41 | Very low | 40.3 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -123.8 | 153.3 | -179.3 | -85.8 | 71.2 | 0 | 0 | 0 | 111 | ||||
| 348 | G | 37.9 | Very low | 40.6 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 140.9 | 146.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 349 | G | 39 | Very low | 40.9 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | 82.6 | 117.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 350 | V | 43.4 | Very low | 40.7 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 96% | 0.964 | 80% | 0.799 | S | S | * | * | cis | 89.4 | 117.5 | 28.3 | -174.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 351 | G | 40.3 | Very low | 40.7 | Very low | 62 Ų | 62 | 133.4 Ų | 133.4 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | 138.1 | 87.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 352 | T | 41.3 | Very low | 40.7 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | 85.3 | 99.6 | 84.9 | 53.8 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 353 | V | 41.7 | Very low | 40.7 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | 15.2 | 164.9 | 129.1 | -94 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 354 | P | 45 | Very low | 40.9 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -143.4 | 175.7 | -0.8 | 34.5 | -11.7 | 0 | 0 | 0 | 119.2 | ||||
| 355 | S | 39.9 | Very low | 40.6 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 51.9 | 137 | 137.2 | 66.7 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 356 | L | 40.6 | Very low | 40.7 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | trans | -156.4 | 157.3 | 139.7 | -111.9 | 161.2 | 0 | 0 | 0 | 110.4 | ||||
| 357 | S | 40.7 | Very low | 40.6 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -159.8 | 140.3 | -161.7 | 56.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 358 | S | 44.4 | Very low | 40.3 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -172.7 | 141.1 | 159.3 | 45.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 359 | E | 42 | Very low | 40.3 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | cis | 102.8 | 144.4 | 26 | -76.6 | -153.9 | 116.7 | 0 | 0 | 115.4 | ||||
| 360 | N | 41.2 | Very low | 40.2 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | 77.7 | 147.3 | 171.4 | -60.2 | -47.3 | 0 | 0 | 0 | 118.2 | ||||
| 361 | L | 39.2 | Very low | 39.8 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | cis | -153.1 | 149 | -6.4 | -144.7 | 132.8 | 0 | 0 | 0 | 115.3 | ||||
| 362 | L | 39.1 | Very low | 39.9 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -28.8 | 154.1 | 170.3 | -128.7 | 74.6 | 0 | 0 | 0 | 125.4 | ||||
| 363 | T | 39.7 | Very low | 39.4 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | 64.9 | 159.9 | 149.3 | 39.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 364 | Q | 38.6 | Very low | 39.6 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | -152.1 | -169.3 | 3.5 | -129.7 | 179.8 | 106.9 | 0 | 0 | 108.5 | ||||
| 365 | A | 38.9 | Very low | 39.1 | Very low | 72 Ų | 72 | 135.9 Ų | 135.9 | 60% | 0.595 | 77% | 0.766 | S | S | * | * | cis | -160.4 | 148.6 | -4.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 366 | Q | 39.4 | Very low | 39 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | 48.9 | 142.5 | 91.1 | -64 | -171 | -0.5 | 0 | 0 | 118.7 | |||||
| 367 | A | 39.4 | Very low | 38.7 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | cis | -174.6 | 174.1 | -16.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 368 | L | 35.5 | Very low | 38.6 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 70 | 160.6 | 158.3 | -67.3 | 158.6 | 0 | 0 | 0 | 118.3 | ||||
| 369 | K | 37.5 | Very low | 38.3 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -148.6 | 140.4 | 7.2 | -111.8 | 141.8 | 178.8 | -176.1 | 0 | 108.4 | ||||
| 370 | T | 36.9 | Very low | 38.3 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | 32.6 | 146.9 | 97.2 | 64.8 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 371 | L | 35.4 | Very low | 38.4 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | cis | -160.3 | 165.9 | 17.4 | -124.8 | 154.5 | 0 | 0 | 0 | 108.5 | ||||
| 372 | V | 40.6 | Very low | 38.3 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | 163.8 | 156.3 | 105.2 | 164.5 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 373 | Q | 32.7 | Very low | 38.2 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -132.8 | -159.9 | -175.2 | -138.4 | -160.2 | -16.2 | 0 | 0 | 112.9 | ||||
| 374 | P | 45.4 | Very low | 37.7 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | trans | -119.4 | -163.8 | -137.8 | 43.3 | -23.9 | 0 | 0 | 0 | 114.4 | ||||
| 375 | S | 34.6 | Very low | 37.5 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 169.8 | -175.8 | 135.2 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 376 | L | 37.2 | Very low | 37.3 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 89.3 | 115.6 | 179.3 | -52.3 | 178.1 | 0 | 0 | 0 | 114.7 | ||||
| 377 | N | 34.5 | Very low | 37.1 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | 82.1 | 141.6 | 56.6 | -70 | -11.8 | 0 | 0 | 0 | 112 | |||||
| 378 | L | 39.3 | Very low | 36.8 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | cis | -159.7 | 166.1 | 4.4 | -153.1 | 70.7 | 0 | 0 | 0 | 110 | ||||
| 379 | G | 37.5 | Very low | 36.8 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 155.5 | 142.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 380 | S | 42.2 | Very low | 36.7 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -139.6 | 164.2 | -168.1 | -56.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 381 | P | 43.9 | Very low | 36.5 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -119.4 | 173.8 | -162.6 | 43.1 | -33 | 0 | 0 | 0 | 117 | ||||
| 382 | M | 35.7 | Very low | 36.8 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | -157 | 162.1 | 165.7 | -77.8 | -162.3 | -72.8 | 0 | 0 | 107.9 | ||||
| 383 | R | 37.4 | Very low | 36.5 | Very low | 213 Ų | 213 | 139.2 Ų | 139.2 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | -170.6 | 174.8 | -13.5 | -101.3 | 173.9 | -179 | 164.1 | 1.6 | 105.2 | ||||
| 384 | M | 30.2 | Very low | 36.5 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | cis | 162.3 | 119.5 | -27.8 | -179.8 | -172.9 | -163.8 | 0 | 0 | 108 | ||||
| 385 | R | 33.6 | Very low | 35.9 | Very low | 222 Ų | 222 | 136.6 Ų | 136.6 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | 148.4 | 131 | 160.8 | -86.8 | 164.1 | 179 | -169.3 | -1.4 | 109.2 | ||||
| 386 | T | 33.8 | Very low | 35.7 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | cis | 65.1 | 136.7 | 43.9 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 387 | Y | 35.3 | Very low | 35.6 | Very low | 214 Ų | 214 | 136.2 Ų | 136.2 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | cis | -143.6 | 178.5 | 19 | -52.7 | -101.6 | 0 | 0 | 0 | 109.8 | ||||
| 388 | G | 34.4 | Very low | 35.4 | Very low | 60 Ų | 60 | 133.4 Ų | 133.4 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | cis | 144.8 | 141.1 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 389 | T | 34.3 | Very low | 34.8 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | 65.5 | 159 | 167.2 | 61 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 390 | T | 34.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | cis | -148.5 | 131.5 | 3.2 | 29 | 0 | 0 | 0 | 0 | 108 | ||||
| 391 | T | 34.6 | Very low | 34.6 | Very low | 130 Ų | 130 | 138 Ų | 138 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | 72.5 | 147.2 | 79.8 | 56 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 392 | P | 41.9 | Very low | 34.3 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -132 | -173.2 | -150.4 | 45 | -28.1 | 0 | 0 | 0 | 116.8 | ||||
| 393 | D | 33.2 | Very low | 34.4 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -161.2 | 164.4 | 173 | -115.8 | -24.8 | 0 | 0 | 0 | 110.3 | ||||
| 394 | I | 32.9 | Very low | 34.2 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | cis | -158.7 | 158.7 | -9.9 | -158.1 | 166.2 | 0 | 0 | 0 | 111 | ||||
| 395 | A | 32.4 | Very low | 34.5 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | 61.5 | 174.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 396 | L | 31.3 | Very low | 34.5 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | -162.1 | 170.3 | -81.7 | -119.1 | 86.1 | 0 | 0 | 0 | 109.4 | F223 | F223-L396 HydrophobicContact CE2-CD1 3.93Å; F223-L396 HydrophobicContact CE2-CD2 3.94Å; F223-L396 HydrophobicContact CE2-CG 4.08Å; F223-L396 HydrophobicContact CZ-CD1 4.02Å; F223-L396 HydrophobicContact CZ-CD2 4.01Å; F223-L396 HydrophobicContact CZ-CG 4.43Å | |||
| 397 | P | 34.5 | Very low | 34.5 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -112 | 179.9 | -160.4 | 43.1 | -38.4 | 0 | 0 | 0 | 116.9 | ||||
| 398 | G | 30.9 | Very low | 34.4 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -122.3 | 156.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 399 | M | 25.8 | Very low | 34.1 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -127.8 | 150.9 | -176.3 | -53 | 172.4 | -74.3 | 0 | 0 | 111.7 | ||||
| 400 | V | 35.9 | Very low | 34 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -153.2 | 144.5 | 144.4 | 176.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 401 | V | 38.8 | Very low | 33.9 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -155.5 | 167.5 | -175.5 | -161.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 402 | P | 39.1 | Very low | 33.9 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | -118 | -169.1 | -57.8 | 40.4 | -26 | 0 | 0 | 0 | 113.3 | |||||
| 403 | G | 37.8 | Very low | 33.5 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -132.8 | 152.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 404 | K | 32.2 | Very low | 33.5 | Very low | 207 Ų | 207 | 133.8 Ų | 133.8 | 90% | 0.9 | 81% | 0.809 | S | S | * | * | trans | -100.8 | 151.6 | 179.6 | -81.3 | -178.7 | 174.5 | 176.6 | 0 | 112.6 | ||||
| 405 | Q | 37.2 | Very low | 33.6 | Very low | 197 Ų | 197 | 130.5 Ų | 130.5 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -162.1 | 179.6 | 135 | -112.3 | 174.6 | 25.2 | 0 | 0 | 112.1 | ||||
| 406 | T | 33.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -134.2 | 134.4 | -145.9 | -21.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 407 | T | 32.3 | Very low | 33.8 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | 39.9 | 123.4 | 152.2 | 48.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 408 | G | 33.4 | Very low | 33.7 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -141.4 | 145.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 409 | M | 29.3 | Very low | 33.6 | Very low | 199 Ų | 199 | 136.3 Ų | 136.3 | 98% | 0.98 | 84% | 0.839 | S | S | * | * | trans | -102.6 | 142 | 178.3 | -71 | -170 | -70.6 | 0 | 0 | 111.5 | ||||
| 410 | A | 32.7 | Very low | 33.8 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | trans | -136.9 | 146.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 411 | I | 32.3 | Very low | 33.6 | Very low | 167 Ų | 167 | 134 Ų | 134 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 128.2 | -172.8 | -55.7 | 169.4 | 0 | 0 | 0 | 109.5 | ||
| 412 | P | 34.8 | Very low | 33.2 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 62% | 0.623 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 130.5 | 172.7 | 32.5 | -31.8 | 0 | 0 | 0 | 111.7 | ||
| 413 | T | 33.7 | Very low | 32.9 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 161.1 | 173 | 39.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 414 | I | 32.2 | Very low | 32.6 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 128 | 178 | -61.2 | 174.6 | 0 | 0 | 0 | 109.2 | ||
| 415 | G | 35.1 | Very low | 32.7 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 145.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 416 | T | 34.8 | Very low | 32.9 | Very low | 151 Ų | 151 | 124.1 Ų | 124.1 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 170.2 | -175.3 | 38.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 417 | A | 32.7 | Very low | 33.1 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 158.7 | -159.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 418 | G | 32 | Very low | 33.6 | Very low | 73 Ų | 73 | 122.6 Ų | 122.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 150.6 | 156 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 419 | M | 29 | Very low | 33.9 | Very low | 203 Ų | 203 | 122.2 Ų | 122.2 | 100% | 1 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 143.2 | -171.6 | -53.3 | -172.7 | -143.4 | 0 | 0 | 113.3 | ||
| 420 | A | 30 | Very low | 34.4 | Very low | 98 Ų | 98 | 115.6 Ų | 115.6 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -148.4 | 162.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 421 | M | 32.2 | Very low | 34.9 | Very low | 177 Ų | 177 | 118.3 Ų | 118.3 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | -71.9 | 162.9 | -165.9 | -69.5 | -177.8 | 175.3 | 0 | 0 | 115.1 | G423 | M421-G423 PolarHBondContact O-N 3.07Š| ||
| 422 | P | 29.7 | Very low | 35.5 | Very low | 141 Ų | 141 | 114 Ų | 114 | 92% | 0.916 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -72.6 | 97.2 | 179.7 | -10.9 | 27.6 | 0 | 0 | 0 | 111.8 | ||
| 423 | G | 33.1 | Very low | 35.9 | Very low | 62 Ų | 62 | 113.5 Ų | 113.5 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 155.1 | 121.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M421 | M421-G423 PolarHBondContact O-N 3.07Š|
| 424 | M | 31.6 | Very low | 36.3 | Very low | 150 Ų | 150 | 109.4 Ų | 109.4 | 74% | 0.739 | 71% | 0.712 | S | S | * | * | trans | 51.8 | 76.4 | 178.4 | -65.2 | -168 | 172.9 | 0 | 0 | 115.8 | P453 | M424-P453 HydrophobicContact SD-CG 3.9Š| ||
| 425 | S | 35.8 | Very low | 36.4 | Very low | 112 Ų | 112 | 107 Ų | 107 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | -58.9 | 132.6 | 169.1 | -49.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 426 | P | 39.6 | Very low | 36.6 | Very low | 60 Ų | 60 | 105.7 Ų | 105.7 | 39% | 0.39 | 69% | 0.691 | S | S | . | * | trans | -68.9 | 140.1 | 178 | 28.2 | -34.7 | 0 | 0 | 0 | 111.6 | N428 | P426-N428 PolarHBondContact O-N 2.79Š| ||
| 427 | I | 40 | Very low | 36.5 | Very low | 110 Ų | 110 | 105 Ų | 105 | 56% | 0.564 | 68% | 0.681 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 106.6 | 178.3 | -59.6 | 175.8 | 0 | 0 | 0 | 108.5 | V429 I451 | I427-V429 HydrophobicContact CG2-CG2 4.27Å; I427-I451 HydrophobicContact CB-CB 4.46Å; I427-I451 PolarHBondContact N-O 2.85Å; I427-I451 VanDerWaalsContact N-O 3.15Å; I427-I451 PolarHBondContact O-N 3Å |
| 428 | N | 40.9 | Very low | 36.5 | Very low | 117 Ų | 117 | 104.3 Ų | 104.3 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.7 | 174.5 | -77.2 | -56.3 | 0 | 0 | 0 | 111.2 | P426 S450 | P426-N428 PolarHBondContact O-N 2.79Å; N428-S450 WeakPolarHBondContact OD1-CB 3.44Å |
| 429 | V | 40.7 | Very low | 36.9 | Very low | 70 Ų | 70 | 104.7 Ų | 104.7 | 42% | 0.424 | 69% | 0.688 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.6 | 102.1 | 172.4 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | I427 T449 | I427-V429 HydrophobicContact CG2-CG2 4.27Å; V429-T449 PolarHBondContact N-O 2.96Å; V429-T449 PolarHBondContact O-N 3.04Å |
| 430 | G | 39.8 | Very low | 37.1 | Very low | 60 Ų | 60 | 101.9 Ų | 101.9 | 62% | 0.619 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A447 | G430-A447 CarbonylContact C-O 3.46Å; G430-A447 WeakPolarHBondContact CA-O 3.2Å |
| 431 | Q | 43.9 | Very low | 37.6 | Very low | 152 Ų | 152 | 102.5 Ų | 102.5 | 71% | 0.71 | 67% | 0.67 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.1 | 129.9 | 157.4 | -70.2 | -167.3 | -73.6 | 0 | 0 | 109.7 | A447 | Q431-A447 PolarHBondContact N-O 2.95Å; Q431-A447 PolarHBondContact O-N 2.86Å |
| 432 | S | 44.5 | Very low | 38.3 | Very low | 78 Ų | 78 | 98 Ų | 98 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 147.3 | 162.3 | 49.1 | 0 | 0 | 0 | 0 | 110 | Q445 | S432-Q445 CarbonylContact C-O 3.52Å; S432-Q445 WeakPolarHBondContact CA-O 3.41Å |
| 433 | S | 43.5 | Very low | 38.6 | Very low | 85 Ų | 85 | 97.8 Ų | 97.8 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -148.8 | 127.7 | 170.8 | -65.3 | 0 | 0 | 0 | 0 | 107.9 | Q445 | S433-Q445 PolarHBondContact N-O 2.7Å; S433-Q445 PolarHBondContact O-N 2.92Å |
| 434 | G | 41 | Very low | 38.9 | Very low | 59 Ų | 59 | 96.2 Ų | 96.2 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -152.2 | 157.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F443 | G434-F443 CarbonylContact C-O 3.58Å; G434-F443 WeakPolarHBondContact CA-O 3.42Å |
| 435 | V | 35 | Very low | 39.6 | Very low | 114 Ų | 114 | 95.2 Ų | 95.2 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.1 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | I442 F443 | V435-I442 PolarHBondContact O-N 2.88Å; V435-I442 VanDerWaalsContact O-N 3.08Å; V435-F443 PolarHBondContact N-O 2.8Å; V435-F443 PolarHBondContact O-N 2.89Å; V435-F443 VanDerWaalsContact O-N 3.11Å |
| 436 | G | 38.8 | Very low | 40.3 | Very low | 44 Ų | 44 | 93.4 Ų | 93.4 | 45% | 0.454 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -143.8 | 147.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | M440 | G436-M440 WeakPolarHBondContact CA-O 3.17Å |
| 437 | L | 31.8 | Very low | 40.9 | Very low | 137 Ų | 137 | 92.5 Ų | 92.5 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.3 | 170.4 | -76.8 | 159.2 | 0 | 0 | 0 | 108.1 | G439 M440 I442 | L437-G439 VanDerWaalsContact C-N 3.26Å; L437-G439 PolarHBondContact O-N 3.25Å; L437-G439 VanDerWaalsContact O-N 3.13Å; L437-M440 PolarHBondContact N-O 3.15Å; L437-M440 PolarHBondContact O-N 2.86Å; L437-M440 VanDerWaalsContact O-N 3.14Å; L437-I442 HydrophobicContact CB-CD1 3.96Å; L437-I442 HydrophobicContact CD1-CD1 4.15Å; L437-I442 HydrophobicContact CG-CD1 4.36Å |
| 438 | G | 34 | Very low | 41.2 | Very low | 88 Ų | 88 | 88.9 Ų | 88.9 | 91% | 0.907 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59 | 28.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116 | M440 | G438-M440 VanDerWaalsContact C-N 3.33Å; G438-M440 PolarHBondContact O-N 3.01Å |
| 439 | G | 39.7 | Very low | 41.6 | Very low | 82 Ų | 82 | 85.1 Ų | 85.1 | 85% | 0.845 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83 | -1.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L437 | L437-G439 VanDerWaalsContact C-N 3.26Å; L437-G439 PolarHBondContact O-N 3.25Å; L437-G439 VanDerWaalsContact O-N 3.13Å |
| 440 | M | 32.8 | Very low | 41.9 | Very low | 144 Ų | 144 | 83 Ų | 83 | 71% | 0.709 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.9 | 174 | -64.3 | -171.3 | -180 | 0 | 0 | 111.2 | G436 L437 G438 I442 | G436-M440 WeakPolarHBondContact CA-O 3.17Å; L437-M440 PolarHBondContact N-O 3.15Å; L437-M440 PolarHBondContact O-N 2.86Å; L437-M440 VanDerWaalsContact O-N 3.14Å; G438-M440 VanDerWaalsContact C-N 3.33Å; G438-M440 PolarHBondContact O-N 3.01Å; M440-I442 PolarHBondContact O-N 3.23Å |
| 441 | P | 41.7 | Very low | 42.4 | Very low | 111 Ų | 111 | 83.4 Ų | 83.4 | 72% | 0.721 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 109.8 | 175.4 | 30 | -32.4 | 0 | 0 | 0 | 110.2 | ||
| 442 | I | 47.3 | Very low | 42.9 | Very low | 81 Ų | 81 | 78.7 Ų | 78.7 | 42% | 0.415 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -40.2 | -176.4 | -60 | 177.5 | 0 | 0 | 0 | 110.6 | V435 L437 M440 | V435-I442 PolarHBondContact O-N 2.88Å; V435-I442 VanDerWaalsContact O-N 3.08Å; L437-I442 HydrophobicContact CB-CD1 3.96Å; L437-I442 HydrophobicContact CD1-CD1 4.15Å; L437-I442 HydrophobicContact CG-CD1 4.36Å; M440-I442 PolarHBondContact O-N 3.23Å |
| 443 | F | 35.8 | Very low | 42.9 | Very low | 138 Ų | 138 | 79.2 Ų | 79.2 | 61% | 0.605 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130 | 171.8 | -73.5 | -79.5 | 0 | 0 | 0 | 110.7 | G434 V435 | G434-F443 CarbonylContact C-O 3.58Å; G434-F443 WeakPolarHBondContact CA-O 3.42Å; V435-F443 PolarHBondContact N-O 2.8Å; V435-F443 PolarHBondContact O-N 2.89Å; V435-F443 VanDerWaalsContact O-N 3.11Å |
| 444 | G | 38.2 | Very low | 42.9 | Very low | 28 Ų | 28 | 81.9 Ų | 81.9 | 29% | 0.289 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W463 G464 | G444-W463 WeakPolarHBondContact O-CA 3.26Å; G444-G464 PolarHBondContact N-O 2.92Å; G444-G464 PolarHBondContact O-N 2.89Å |
| 445 | Q | 46.8 | Very low | 43.4 | Very low | 129 Ų | 129 | 88.1 Ų | 88.1 | 60% | 0.603 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.7 | 166 | -65.5 | -172 | 11.5 | 0 | 0 | 109.7 | S432 S433 | S432-Q445 CarbonylContact C-O 3.52Å; S432-Q445 WeakPolarHBondContact CA-O 3.41Å; S433-Q445 PolarHBondContact N-O 2.7Å; S433-Q445 PolarHBondContact O-N 2.92Å |
| 446 | T | 50.2 | Low | 44 | Very low | 75 Ų | 75 | 82.8 Ų | 82.8 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 105.3 | 174.8 | 19.3 | 0 | 0 | 0 | 0 | 109.4 | R461 G462 | T446-R461 CarbonylContact O-C 3.52Å; T446-R461 WeakPolarHBondContact O-CA 3.19Å; T446-G462 PolarHBondContact N-O 2.94Å; T446-G462 PolarHBondContact O-N 2.96Å |
| 447 | A | 52.2 | Low | 44.5 | Very low | 41 Ų | 41 | 83.2 Ų | 83.2 | 34% | 0.339 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 111.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G430 Q431 G460 | G430-A447 CarbonylContact C-O 3.46Å; G430-A447 WeakPolarHBondContact CA-O 3.2Å; Q431-A447 PolarHBondContact N-O 2.95Å; Q431-A447 PolarHBondContact O-N 2.86Å; A447-G460 WeakPolarHBondContact CA-O 3.35Å |
| 448 | G | 46.9 | Very low | 45.5 | Very low | 34 Ų | 34 | 79.4 Ų | 79.4 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G459 G460 | G448-G459 WeakPolarHBondContact O-CA 3.35Å; G448-G460 PolarHBondContact N-O 2.87Å; G448-G460 PolarHBondContact O-N 3.35Å |
| 449 | T | 48.5 | Very low | 46.7 | Very low | 37 Ų | 37 | 76.9 Ų | 76.9 | 23% | 0.227 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.2 | 167.6 | -35.7 | 0 | 0 | 0 | 0 | 108.4 | V429 V457 S458 | V429-T449 PolarHBondContact N-O 2.96Å; V429-T449 PolarHBondContact O-N 3.04Å; T449-V457 HydrophobicContact CG2-CG1 3.91Å; T449-S458 WeakPolarHBondContact CA-O 3.36Å |
| 450 | S | 48.2 | Very low | 47.2 | Very low | 26 Ų | 26 | 73.4 Ų | 73.4 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 139.1 | 169.6 | 96.6 | 0 | 0 | 0 | 0 | 109.9 | N428 S458 | N428-S450 WeakPolarHBondContact OD1-CB 3.44Å; S450-S458 PolarHBondContact N-O 2.82Å; S450-S458 PolarHBondContact O-N 2.92Å; S450-S458 PolarHBondContact OG-OG 2.9Å |
| 451 | I | 49.7 | Very low | 48.2 | Very low | 69 Ų | 69 | 72.9 Ų | 72.9 | 35% | 0.354 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116.1 | 174.4 | -56.8 | 176.2 | 0 | 0 | 0 | 107.1 | I427 V457 | I427-I451 HydrophobicContact CB-CB 4.46Å; I427-I451 PolarHBondContact N-O 2.85Å; I427-I451 VanDerWaalsContact N-O 3.15Å; I427-I451 PolarHBondContact O-N 3Å; I451-V457 HydrophobicContact CG1-CG1 4.45Å; I451-V457 HydrophobicContact CG1-CG2 4.39Å; I451-V457 HydrophobicContact CG2-CG2 4.45Å |
| 452 | N | 53.8 | Low | 48.5 | Very low | 53 Ų | 53 | 68 Ų | 68 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118 | 172.7 | -176.1 | -34.5 | 0 | 0 | 0 | 108.5 | L454 R455 G456 | N452-L454 PolarHBondContact O-N 2.88Å; N452-L454 PolarHBondContact OD1-N 2.89Å; N452-R455 HydrophobicContact CB-CB 3.86Å; N452-R455 VanDerWaalsContact CG-CB 3.46Å; N452-R455 PolarHBondContact O-N 2.78Å; N452-R455 PolarHBondContact OD1-N 2.92Å; N452-G456 PolarHBondContact N-O 2.9Å; N452-G456 VanDerWaalsContact N-O 3.1Å; N452-G456 PolarHBondContact O-N 2.89Å |
| 453 | P | 44.4 | Very low | 48.7 | Very low | 89 Ų | 89 | 70.6 Ų | 70.6 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.2 | -176 | 26.5 | -35 | 0 | 0 | 0 | 114 | M424 | M424-P453 HydrophobicContact SD-CG 3.9Š|
| 454 | L | 45.2 | Very low | 49.2 | Very low | 140 Ų | 140 | 65.3 Ų | 65.3 | 73% | 0.733 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | -5.8 | 178.2 | -60 | 174.5 | 0 | 0 | 0 | 113.6 | N452 | N452-L454 PolarHBondContact O-N 2.88Å; N452-L454 PolarHBondContact OD1-N 2.89Å |
| 455 | R | 49.9 | Very low | 49.3 | Very low | 190 Ų | 190 | 65.7 Ų | 65.7 | 72% | 0.717 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | 27.7 | -162.8 | -137.9 | -178.2 | -165.4 | -172.7 | 5.9 | 115.3 | N452 | N452-R455 HydrophobicContact CB-CB 3.86Å; N452-R455 VanDerWaalsContact CG-CB 3.46Å; N452-R455 PolarHBondContact O-N 2.78Å; N452-R455 PolarHBondContact OD1-N 2.92Å |
| 456 | G | 47.5 | Very low | 49.7 | Very low | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.8 | -171.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | N452 V476 | N452-G456 PolarHBondContact N-O 2.9Å; N452-G456 VanDerWaalsContact N-O 3.1Å; N452-G456 PolarHBondContact O-N 2.89Å; G456-V476 WeakPolarHBondContact CA-O 3.49Å |
| 457 | V | 50.1 | Low | 49.5 | Very low | 54 Ų | 54 | 65.8 Ų | 65.8 | 33% | 0.327 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.8 | 172.3 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | T449 I451 G475 V476 F478 | T449-V457 HydrophobicContact CG2-CG1 3.91Å; I451-V457 HydrophobicContact CG1-CG1 4.45Å; I451-V457 HydrophobicContact CG1-CG2 4.39Å; I451-V457 HydrophobicContact CG2-CG2 4.45Å; V457-G475 WeakPolarHBondContact O-CA 3.36Å; V457-V476 PolarHBondContact N-O 3.13Å; V457-V476 PolarHBondContact O-N 3.25Å; V457-F478 HydrophobicContact CG2-CE2 4.33Å |
| 458 | S | 52.2 | Low | 48.4 | Very low | 56 Ų | 56 | 67.8 Ų | 67.8 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.9 | 178.2 | 56 | 0 | 0 | 0 | 0 | 111.3 | T449 S450 | T449-S458 WeakPolarHBondContact CA-O 3.36Å; S450-S458 PolarHBondContact N-O 2.82Å; S450-S458 PolarHBondContact O-N 2.92Å; S450-S458 PolarHBondContact OG-OG 2.9Å |
| 459 | G | 59 | Low | 48 | Very low | 35 Ų | 35 | 71.1 Ų | 71.1 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 118.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | G448 G473 G474 | G448-G459 WeakPolarHBondContact O-CA 3.35Å; G459-G473 CarbonylContact O-C 3.6Å; G459-G473 WeakPolarHBondContact O-CA 3.38Å; G459-G474 PolarHBondContact N-O 3.3Å; G459-G474 PolarHBondContact O-N 2.95Å |
| 460 | G | 51.9 | Low | 47.3 | Very low | 9 Ų | 9 | 70.2 Ų | 70.2 | 9% | 0.093 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A447 G448 | A447-G460 WeakPolarHBondContact CA-O 3.35Å; G448-G460 PolarHBondContact N-O 2.87Å; G448-G460 PolarHBondContact O-N 3.35Å |
| 461 | R | 54 | Low | 46.7 | Very low | 133 Ų | 133 | 76.7 Ų | 76.7 | 50% | 0.502 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 112.9 | 162.7 | -65.7 | -172 | -130.1 | -143.5 | 2.5 | 109.1 | N214 T446 S472 | N214-R461 VanDerWaalsContact OD1-CZ 3.32Å; N214-R461 PolarHBondContact OD1-NH1 2.03Å; N214-R461 PolarHBondContact OD1-NH2 3.24Å; T446-R461 CarbonylContact O-C 3.52Å; T446-R461 WeakPolarHBondContact O-CA 3.19Å; R461-S472 PolarHBondContact N-O 3.08Å; R461-S472 PolarHBondContact O-N 2.92Å |
| 462 | G | 47.8 | Very low | 46.2 | Very low | 10 Ų | 10 | 77.5 Ų | 77.5 | 10% | 0.103 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 141.9 | 157 | 0 | 0 | 0 | 0 | 0 | 110.1 | T446 G470 | T446-G462 PolarHBondContact N-O 2.94Å; T446-G462 PolarHBondContact O-N 2.96Å; G462-G470 CarbonylContact C-O 3.45Å; G462-G470 WeakPolarHBondContact CA-O 3.42Å |
| 463 | W | 51.7 | Low | 45.7 | Very low | 135 Ų | 135 | 77.3 Ų | 77.3 | 51% | 0.511 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.8 | 163.4 | 59.6 | -85.5 | 0 | 0 | 0 | 109.1 | G444 V468 S469 G470 | G444-W463 WeakPolarHBondContact O-CA 3.26Å; W463-V468 HydrophobicContact CH2-CG1 4.32Å; W463-V468 HydrophobicContact CZ3-CG1 4.41Å; W463-S469 WeakPolarHBondContact O-CA 2.99Å; W463-G470 VanDerWaalsContact CD1-O 3.27Å; W463-G470 PolarHBondContact N-O 3.11Å; W463-G470 PolarHBondContact O-N 2.85Å |
| 464 | G | 44.4 | Very low | 45.4 | Very low | 27 Ų | 27 | 75.8 Ų | 75.8 | 28% | 0.278 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G444 | G444-G464 PolarHBondContact N-O 2.92Å; G444-G464 PolarHBondContact O-N 2.89Å |
| 465 | A | 41.4 | Very low | 45.2 | Very low | 36 Ų | 36 | 71.9 Ų | 71.9 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 100.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | V468 | A465-V468 PolarHBondContact N-O 2.91Å; A465-V468 PolarHBondContact O-N 2.97Å |
| 466 | G | 55.7 | Low | 44.9 | Very low | 65 Ų | 65 | 67.3 Ų | 67.3 | 67% | 0.67 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -134.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V468 | G466-V468 PolarHBondContact O-N 3.24Š|
| 467 | P | 44.7 | Very low | 44.5 | Very low | 140 Ų | 140 | 72.3 Ų | 72.3 | 91% | 0.909 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -6.8 | 179.6 | 32.6 | -36.2 | 0 | 0 | 0 | 113.8 | ||
| 468 | V | 29.3 | Very low | 44.3 | Very low | 83 Ų | 83 | 74.5 Ų | 74.5 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.8 | -178.7 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | W463 A465 G466 | W463-V468 HydrophobicContact CH2-CG1 4.32Å; W463-V468 HydrophobicContact CZ3-CG1 4.41Å; A465-V468 PolarHBondContact N-O 2.91Å; A465-V468 PolarHBondContact O-N 2.97Å; G466-V468 PolarHBondContact O-N 3.24Å |
| 469 | S | 38.4 | Very low | 43.5 | Very low | 104 Ų | 104 | 75 Ų | 75 | 73% | 0.727 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.6 | 169.2 | 66.1 | 0 | 0 | 0 | 0 | 110.6 | W463 | W463-S469 WeakPolarHBondContact O-CA 2.99Å |
| 470 | G | 33.7 | Very low | 42.3 | Very low | 19 Ų | 19 | 77 Ų | 77 | 20% | 0.196 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G462 W463 | G462-G470 CarbonylContact C-O 3.45Å; G462-G470 WeakPolarHBondContact CA-O 3.42Å; W463-G470 VanDerWaalsContact CD1-O 3.27Å; W463-G470 PolarHBondContact N-O 3.11Å; W463-G470 PolarHBondContact O-N 2.85Å |
| 471 | F | 36.9 | Very low | 41.6 | Very low | 161 Ų | 161 | 81 Ų | 81 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.9 | 177.1 | -176.2 | -91.9 | 0 | 0 | 0 | 110.1 | ||
| 472 | S | 38.3 | Very low | 40.7 | Very low | 86 Ų | 86 | 80.4 Ų | 80.4 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 120.7 | 173.4 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | R461 | R461-S472 PolarHBondContact N-O 3.08Å; R461-S472 PolarHBondContact O-N 2.92Å |
| 473 | G | 42.5 | Very low | 40 | Very low | 50 Ų | 50 | 87.4 Ų | 87.4 | 52% | 0.515 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144.7 | 147.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G459 | G459-G473 CarbonylContact O-C 3.6Å; G459-G473 WeakPolarHBondContact O-CA 3.38Å |
| 474 | G | 38.5 | Very low | 39.1 | Very low | 56 Ų | 56 | 89.9 Ų | 89.9 | 58% | 0.577 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | G459 | G459-G474 PolarHBondContact N-O 3.3Å; G459-G474 PolarHBondContact O-N 2.95Å |
| 475 | G | 40.7 | Very low | 38.6 | Very low | 58 Ų | 58 | 96 Ų | 96 | 60% | 0.598 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | V457 | V457-G475 WeakPolarHBondContact O-CA 3.36Å |
| 476 | V | 44.3 | Very low | 38.5 | Very low | 94 Ų | 94 | 99 Ų | 99 | 57% | 0.57 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 107.1 | 157.4 | -178.8 | 0 | 0 | 0 | 0 | 105.8 | G456 V457 F478 | G456-V476 WeakPolarHBondContact CA-O 3.49Å; V457-V476 PolarHBondContact N-O 3.13Å; V457-V476 PolarHBondContact O-N 3.25Å; V476-F478 HydrophobicContact CG1-CD1 4.27Å; V476-F478 HydrophobicContact CG1-CE1 3.72Å; V476-F478 HydrophobicContact CG1-CZ 4.31Å |
| 477 | D | 38.6 | Very low | 37.6 | Very low | 107 Ų | 107 | 100.8 Ų | 100.8 | 57% | 0.572 | 68% | 0.68 | S | S | * | * | trans | -76.9 | 144.9 | 173.6 | -153.3 | -27.2 | 0 | 0 | 0 | 109.9 | G479 | D477-G479 PolarHBondContact OD1-N 3.42Š| ||
| 478 | F | 46.1 | Very low | 37.2 | Very low | 101 Ų | 101 | 98.6 Ų | 98.6 | 44% | 0.443 | 67% | 0.667 | S | S | . | * | trans | -111.9 | 2.3 | 173 | -63.2 | -42.1 | 0 | 0 | 0 | 112.4 | V457 V476 G480 I481 | V457-F478 HydrophobicContact CG2-CE2 4.33Å; V476-F478 HydrophobicContact CG1-CD1 4.27Å; V476-F478 HydrophobicContact CG1-CE1 3.72Å; V476-F478 HydrophobicContact CG1-CZ 4.31Å; F478-G480 PolarHBondContact O-N 3.27Å; F478-I481 HydrophobicContact CB-CD1 4.45Å; F478-I481 HydrophobicContact CD1-CD1 4.36Å; F478-I481 PolarHBondContact O-N 3.14Å | ||
| 479 | G | 35.1 | Very low | 37.7 | Very low | 66 Ų | 66 | 99.5 Ų | 99.5 | 68% | 0.68 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 95.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D477 | D477-G479 PolarHBondContact OD1-N 3.42Š|
| 480 | G | 35 | Very low | 37.6 | Very low | 76 Ų | 76 | 99.3 Ų | 99.3 | 78% | 0.784 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.6 | -15.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | F478 P482 | F478-G480 PolarHBondContact O-N 3.27Å; G480-P482 WeakPolarHBondContact O-CD 3.03Å |
| 481 | I | 36.3 | Very low | 37.9 | Very low | 95 Ų | 95 | 104.6 Ų | 104.6 | 49% | 0.487 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -84.9 | 118.9 | 172.1 | -45.2 | 175 | 0 | 0 | 0 | 109 | F478 F483 | F478-I481 HydrophobicContact CB-CD1 4.45Å; F478-I481 HydrophobicContact CD1-CD1 4.36Å; F478-I481 PolarHBondContact O-N 3.14Å; I481-F483 HydrophobicContact CB-CD2 4.13Å; I481-F483 HydrophobicContact CB-CE2 3.95Å; I481-F483 HydrophobicContact CD1-CE2 4.48Å; I481-F483 HydrophobicContact CG2-CD2 3.79Å; I481-F483 HydrophobicContact CG2-CE2 3.34Å; I481-F483 HydrophobicContact CG2-CZ 3.9Å; I481-F483 PolarHBondContact O-N 3.46Å |
| 482 | P | 34.5 | Very low | 37.9 | Very low | 119 Ų | 119 | 100.6 Ų | 100.6 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | trans | -75.8 | 96.1 | -179.4 | 30.3 | -34.1 | 0 | 0 | 0 | 110.9 | G480 | G480-P482 WeakPolarHBondContact O-CD 3.03Š| ||
| 483 | F | 33.8 | Very low | 37.9 | Very low | 158 Ų | 158 | 101.7 Ų | 101.7 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | trans | -111.8 | 137.8 | 161.9 | -66.1 | -71.1 | 0 | 0 | 0 | 108.5 | I481 | I481-F483 HydrophobicContact CB-CD2 4.13Å; I481-F483 HydrophobicContact CB-CE2 3.95Å; I481-F483 HydrophobicContact CD1-CE2 4.48Å; I481-F483 HydrophobicContact CG2-CD2 3.79Å; I481-F483 HydrophobicContact CG2-CE2 3.34Å; I481-F483 HydrophobicContact CG2-CZ 3.9Å; I481-F483 PolarHBondContact O-N 3.46Å | ||
| 484 | L | 32.9 | Very low | 37.5 | Very low | 186 Ų | 186 | 106 Ų | 106 | 97% | 0.974 | 73% | 0.73 | S | S | * | * | trans | 73.1 | 89.6 | -170.2 | -51.7 | 173 | 0 | 0 | 0 | 113.8 | ||||
| 485 | G | 34.8 | Very low | 37.5 | Very low | 156 Ų | 156 | 110.5 Ų | 110.5 | 100% | 1.608 | 74% | 0.744 | S | S | * | * | trans | -175.6 | 0 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 485 of 485 residues in 1004.5 ms
(Link to these results)