| 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 | 42.9 | Very low | 44.5 | Very low | 225 Ų | 225 | 140.4 Ų | 140.4 | 100% | 1.108 | 79% | 0.788 | S | S | * | * | 0 | 60.8 | 0 | -59 | -114.3 | -175.8 | 0 | 0 | 106.4 | |||||
| 2 | D | 39.8 | Very low | 44.5 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | 56.5 | 112.2 | 67.8 | -57.6 | -56 | 0 | 0 | 0 | 112.2 | |||||
| 3 | T | 45.3 | Very low | 44.7 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | 165.1 | 97.3 | 130.4 | 36.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | V | 45.8 | Very low | 44 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | 69.9 | 117.1 | 99.4 | -64.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 5 | L | 48.9 | Very low | 43.8 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | 61.8 | 123.8 | 108.8 | -125.2 | 77.3 | 0 | 0 | 0 | 111.5 | |||||
| 6 | D | 46.2 | Very low | 44.1 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 64% | 0.642 | 80% | 0.798 | S | S | * | * | -166.3 | 154.5 | 66.5 | -135.9 | -14.7 | 0 | 0 | 0 | 115.2 | |||||
| 7 | T | 48 | Very low | 44.6 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -88.6 | 128.2 | 167.2 | -27.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 8 | F | 38.3 | Very low | 44.2 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -133.7 | 106 | 167.4 | -119 | -90.5 | 0 | 0 | 0 | 112.3 | ||||
| 9 | T | 47.6 | Very low | 44.1 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -60.9 | 137.2 | 153.3 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 10 | G | 42.1 | Very low | 44.4 | Very low | 68 Ų | 68 | 144.1 Ų | 144.1 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -165 | 95 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 11 | L | 45.1 | Very low | 44.6 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | 69.1 | 105.5 | 86.9 | -79.2 | 169.5 | 0 | 0 | 0 | 114 | |||||
| 12 | D | 43.5 | Very low | 44.5 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 28.6 | 114.8 | 132.4 | -73.7 | -32.8 | 0 | 0 | 0 | 119.5 | ||||
| 13 | S | 47 | Very low | 44.8 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -160.7 | 105.7 | 138.5 | -92.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 14 | F | 36 | Very low | 44.7 | Very low | 215 Ų | 215 | 141.3 Ų | 141.3 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | -156 | 115.5 | 116 | -89 | -68.7 | 0 | 0 | 0 | 108.7 | |||||
| 15 | S | 40.5 | Very low | 44.5 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -62.2 | 126.9 | 179.3 | -166 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 16 | S | 48.1 | Very low | 44.4 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -110.5 | 112.2 | 165.7 | -171.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 17 | P | 52.8 | Low | 44.4 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -93.8 | 111.4 | 162.9 | 32.5 | -22.4 | 0 | 0 | 0 | 107.9 | ||||
| 18 | Y | 37.7 | Very low | 44.1 | Very low | 211 Ų | 211 | 145.7 Ų | 145.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | 86.8 | 96.4 | 95.7 | -144.2 | -96.7 | 0 | 0 | 0 | 112.1 | |||||
| 19 | F | 42.8 | Very low | 44.1 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 65% | 0.654 | 77% | 0.766 | S | S | * | * | trans | -7.5 | 125.8 | 138.5 | -123.4 | -127.1 | 0 | 0 | 0 | 115 | E21 | F19-E21 HydrophobicContact CD1-CG 3.31Å; F19-E21 HydrophobicContact CE1-CG 3.05Å; F19-E21 WeakPolarHBondContact CE1-OE1 3.4Å; F19-E21 HydrophobicContact CG-CG 4.35Å; F19-E21 HydrophobicContact CZ-CG 3.91Å; F19-E21 WeakPolarHBondContact CZ-OE1 3.41Å | ||
| 20 | D | 50.1 | Low | 44 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -125.7 | 114.3 | 143.4 | -121.7 | -49.7 | 0 | 0 | 0 | 106 | ||||
| 21 | E | 48.2 | Very low | 44.4 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 55% | 0.551 | 77% | 0.774 | S | S | * | * | trans | -84.2 | 166.1 | 169.3 | -67.8 | -103.4 | 111.1 | 0 | 0 | 108.7 | F19 | F19-E21 HydrophobicContact CD1-CG 3.31Å; F19-E21 HydrophobicContact CE1-CG 3.05Å; F19-E21 WeakPolarHBondContact CE1-OE1 3.4Å; F19-E21 HydrophobicContact CG-CG 4.35Å; F19-E21 HydrophobicContact CZ-CG 3.91Å; F19-E21 WeakPolarHBondContact CZ-OE1 3.41Å | ||
| 22 | D | 39.8 | Very low | 44.1 | Very low | 135 Ų | 135 | 148 Ų | 148 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 81.5 | 84.3 | 161.6 | -52.4 | -43.9 | 0 | 0 | 0 | 116.6 | ||||
| 23 | D | 46.5 | Very low | 44.4 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 96% | 0.963 | 77% | 0.768 | S | S | * | * | -126.8 | 115.3 | 121.2 | -114 | -31.9 | 0 | 0 | 0 | 110.9 | |||||
| 24 | F | 44 | Very low | 44.2 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | -96.2 | 123.5 | -161.4 | 169.6 | -85.2 | 0 | 0 | 0 | 109.6 | ||||
| 25 | F | 40.6 | Very low | 44.4 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | 62.2 | 114 | 153.3 | -74.1 | -110.1 | 0 | 0 | 0 | 119.8 | ||||
| 26 | T | 48.5 | Very low | 44.8 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | -137.4 | 120.3 | 118.2 | -7.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 27 | D | 46.2 | Very low | 44.6 | Very low | 121 Ų | 121 | 145 Ų | 145 | 65% | 0.647 | 74% | 0.736 | S | S | * | * | trans | -52.2 | 132.6 | 170.7 | -173.1 | 14.8 | 0 | 0 | 0 | 111.8 | S29 | D27-S29 PolarHBondContact OD1-N 2.9Š| ||
| 28 | Q | 41.3 | Very low | 44.6 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | -152.8 | 87.4 | 149.4 | -112 | 157.5 | 86.4 | 0 | 0 | 108.6 | ||||
| 29 | S | 38.6 | Very low | 44.8 | Very low | 92 Ų | 92 | 144.2 Ų | 144.2 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | trans | -31.2 | 129.7 | 151 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | D27 | D27-S29 PolarHBondContact OD1-N 2.9Š| ||
| 30 | S | 44.1 | Very low | 45.3 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | 163 | 92.2 | 141.3 | -72.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 31 | R | 52 | Low | 45.5 | Very low | 251 Ų | 251 | 137.4 Ų | 137.4 | 95% | 0.947 | 70% | 0.697 | S | S | * | * | 47.1 | 52.7 | 66.8 | -145.9 | 178.2 | -178 | 171.7 | 0.4 | 112.7 | |||||
| 32 | D | 37.8 | Very low | 45.8 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | -105.2 | 110.6 | 159.6 | -75.6 | -35.4 | 0 | 0 | 0 | 110.6 | L34 | D32-L34 PolarHBondContact O-N 3.27Š| ||
| 33 | H | 49.7 | Very low | 46.6 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | trans | -63.9 | 100.3 | 163.5 | -176.4 | 56.1 | 0 | 0 | 0 | 107.6 | D35 | H33-D35 IonicContact CD2-OD1 3.23Å; H33-D35 IonicContact CD2-OD2 2.9Å; H33-D35 PolarHBondContact CD2-OD2 3.16Å; H33-D35 VanDerWaalsContact CD2-OD2 3.23Å; H33-D35 IonicContact NE2-OD1 3.65Å; H33-D35 IonicContact NE2-OD2 3.88Å; H33-D35 PolarHBondContact O-N 3.32Å; H33-D35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | L | 42.3 | Very low | 47.2 | Very low | 144 Ų | 144 | 128 Ų | 128 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | trans | -80.3 | 91.4 | 171.6 | -69 | 179 | 0 | 0 | 0 | 108.8 | D32 T36 | D32-L34 PolarHBondContact O-N 3.27Å; L34-T36 HydrophobicContact CB-CG2 4.47Å; L34-T36 PolarHBondContact O-N 3.44Å; L34-T36 PolarHBondContact O-OG1 2.95Å | ||
| 35 | D | 41.9 | Very low | 48 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 51% | 0.508 | 64% | 0.642 | S | S | . | * | trans | -57.9 | 80.1 | 153.7 | -78.4 | -55.5 | 0 | 0 | 0 | 109.2 | H33 D37 | H33-D35 IonicContact CD2-OD1 3.23Å; H33-D35 IonicContact CD2-OD2 2.9Å; H33-D35 PolarHBondContact CD2-OD2 3.16Å; H33-D35 VanDerWaalsContact CD2-OD2 3.23Å; H33-D35 IonicContact NE2-OD1 3.65Å; H33-D35 IonicContact NE2-OD2 3.88Å; H33-D35 PolarHBondContact O-N 3.32Å; H33-D35 VanDerWaalsContact O-N 3.1Å; D35-D37 PolarHBondContact O-N 3.16Å | ||
| 36 | T | 47.8 | Very low | 49.1 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 62% | 0.62 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 0.2 | 174.5 | 28.2 | 0 | 0 | 0 | 0 | 113.9 | L34 | L34-T36 HydrophobicContact CB-CG2 4.47Å; L34-T36 PolarHBondContact O-N 3.44Å; L34-T36 PolarHBondContact O-OG1 2.95Å |
| 37 | D | 44.7 | Very low | 49.9 | Very low | 142 Ų | 142 | 120 Ų | 120 | 76% | 0.759 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -11.9 | -178.4 | -71.6 | -34.4 | 0 | 0 | 0 | 113.5 | D35 | D35-D37 PolarHBondContact O-N 3.16Š|
| 38 | E | 51.2 | Low | 50.9 | Low | 144 Ų | 144 | 117.3 Ų | 117.3 | 67% | 0.673 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -93.1 | -20.8 | -178.7 | -154.1 | 169 | -158.7 | 0 | 0 | 113.3 | L40 | E38-L40 PolarHBondContact O-N 3.09Š|
| 39 | F | 42.3 | Very low | 52 | Low | 161 Ų | 161 | 111.4 Ų | 111.4 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -81.3 | -12.7 | -173 | -133.6 | -92.5 | 0 | 0 | 0 | 115 | ||
| 40 | L | 53.6 | Low | 53.4 | Low | 89 Ų | 89 | 112 Ų | 112 | 47% | 0.466 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -92.8 | -13.3 | -174.5 | -68.5 | 179 | 0 | 0 | 0 | 114 | E38 V44 | E38-L40 PolarHBondContact O-N 3.09Å; L40-V44 WeakPolarHBondContact O-CB 2.89Å; L40-V44 WeakPolarHBondContact O-CG2 3.28Å |
| 41 | D | 53.8 | Low | 54.3 | Low | 81 Ų | 81 | 108.9 Ų | 108.9 | 43% | 0.433 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -85.3 | -36.9 | -178.7 | -81.1 | -45.6 | 0 | 0 | 0 | 112.8 | V44 D45 R128 | D41-V44 PolarHBondContact O-N 3.01Å; D41-D45 PolarHBondContact O-N 3.41Å; D41-D45 VanDerWaalsContact O-N 3.1Å; D41-R128 PolarHBondContact O-NH2 2.73Å; D41-R128 VanDerWaalsContact O-NH2 3.16Å; D41-R128 IonicContact OD1-CZ 3.7Å; D41-R128 VanDerWaalsContact OD1-CZ 3.25Å; D41-R128 IonicContact OD1-NE 3.85Å; D41-R128 PolarHBondContact OD1-NE 3.4Å; D41-R128 IonicContact OD1-NH2 3.98Å; D41-R128 PolarHBondContact OD1-NH2 2.85Å |
| 42 | D | 54.4 | Low | 54.9 | Low | 124 Ų | 124 | 103.5 Ų | 103.5 | 66% | 0.663 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.8 | -42.1 | 175.9 | -85.7 | -66.1 | 0 | 0 | 0 | 112.8 | V44 D45 F46 | D42-V44 VanDerWaalsContact C-N 3.26Å; D42-V44 PolarHBondContact O-N 3.03Å; D42-D45 PolarHBondContact O-N 2.9Å; D42-F46 WeakPolarHBondContact O-CB 3.4Å; D42-F46 PolarHBondContact O-N 3.36Å |
| 43 | D | 57.5 | Low | 55.7 | Low | 89 Ų | 89 | 100.3 Ų | 100.3 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -31 | 178.6 | -79.7 | -26.5 | 0 | 0 | 0 | 112.3 | L47 | D43-L47 WeakPolarHBondContact O-CB 3.25Å; D43-L47 PolarHBondContact O-N 3.34Å |
| 44 | V | 58.9 | Low | 55.8 | Low | 24 Ų | 24 | 98.3 Ų | 98.3 | 15% | 0.145 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -74 | -42 | 178.6 | 162.4 | 0 | 0 | 0 | 0 | 111.2 | L40 D41 D42 L47 T48 V124 R128 | L40-V44 WeakPolarHBondContact O-CB 2.89Å; L40-V44 WeakPolarHBondContact O-CG2 3.28Å; D41-V44 PolarHBondContact O-N 3.01Å; D42-V44 VanDerWaalsContact C-N 3.26Å; D42-V44 PolarHBondContact O-N 3.03Å; V44-L47 PolarHBondContact O-N 3.07Å; V44-T48 WeakPolarHBondContact O-CB 3.49Å; V44-T48 PolarHBondContact O-N 3.45Å; V44-T48 PolarHBondContact O-OG1 2.96Å; V44-V124 HydrophobicContact CB-CG1 3.92Å; V44-V124 HydrophobicContact CG1-CB 4.44Å; V44-V124 HydrophobicContact CG1-CG1 3.27Å; V44-V124 HydrophobicContact CG2-CB 4.3Å; V44-V124 HydrophobicContact CG2-CG1 3.38Å; V44-V124 HydrophobicContact CG2-CG2 3.95Å; V44-R128 VanDerWaalsContact CG1-CZ 3.42Å; V44-R128 VanDerWaalsContact CG1-NH2 3.3Å |
| 45 | D | 60.4 | Low | 56.3 | Low | 86 Ų | 86 | 96.4 Ų | 96.4 | 46% | 0.46 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.9 | -34.5 | 178.1 | -70.8 | -6.1 | 0 | 0 | 0 | 110.3 | D41 D42 T48 S49 R128 | D41-D45 PolarHBondContact O-N 3.41Å; D41-D45 VanDerWaalsContact O-N 3.1Å; D42-D45 PolarHBondContact O-N 2.9Å; D45-T48 PolarHBondContact O-N 3.37Å; D45-S49 VanDerWaalsContact O-CB 3.23Å; D45-S49 WeakPolarHBondContact O-CB 3.36Å; D45-S49 PolarHBondContact O-N 2.88Å; D45-R128 IonicContact OD1-CZ 4Å; D45-R128 IonicContact OD1-NH1 2.74Å; D45-R128 PolarHBondContact OD1-NH1 2.89Å; D45-R128 IonicContact OD1-NH2 3.64Å; D45-R128 PolarHBondContact OD1-NH2 2.99Å; D45-R128 VanDerWaalsContact OD1-NH2 3.12Å |
| 46 | F | 63.9 | Low | 56.7 | Low | 142 Ų | 142 | 98.7 Ų | 98.7 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -48.3 | 169 | 178.7 | -101.5 | 0 | 0 | 0 | 111.9 | D42 T48 S49 H50 | D42-F46 WeakPolarHBondContact O-CB 3.4Å; D42-F46 PolarHBondContact O-N 3.36Å; F46-T48 PolarHBondContact O-N 2.89Å; F46-S49 PolarHBondContact O-N 3.22Å; F46-H50 WeakPolarHBondContact O-CB 3.38Å; F46-H50 PolarHBondContact O-N 3.46Å |
| 47 | L | 65.2 | Low | 56.3 | Low | 57 Ų | 57 | 99.3 Ų | 99.3 | 30% | 0.298 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -37.5 | 179.5 | -163.2 | 72.8 | 0 | 0 | 0 | 111.3 | D43 V44 H50 F51 | D43-L47 WeakPolarHBondContact O-CB 3.25Å; D43-L47 PolarHBondContact O-N 3.34Å; V44-L47 PolarHBondContact O-N 3.07Å; L47-H50 PolarHBondContact O-N 2.93Å; L47-F51 HydrophobicContact CB-CE2 4.44Å; L47-F51 HydrophobicContact CD1-CE2 4.1Å; L47-F51 HydrophobicContact CD1-CZ 3.85Å; L47-F51 HydrophobicContact CD2-CE2 3.74Å; L47-F51 HydrophobicContact CD2-CZ 4.08Å; L47-F51 HydrophobicContact CG-CD2 4.19Å; L47-F51 HydrophobicContact CG-CE2 3.39Å; L47-F51 HydrophobicContact CG-CZ 3.68Å; L47-F51 WeakPolarHBondContact O-CD2 3.45Å; L47-F51 WeakPolarHBondContact O-CE2 3.39Å; L47-F51 VanDerWaalsContact O-CG 3.29Å; L47-F51 WeakPolarHBondContact O-CG 3.35Å; L47-F51 PolarHBondContact O-N 3.45Å |
| 48 | T | 66.7 | Low | 56.4 | Low | 66 Ų | 66 | 96 Ų | 96 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 174 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | V44 D45 F46 F51 Q52 | V44-T48 WeakPolarHBondContact O-CB 3.49Å; V44-T48 PolarHBondContact O-N 3.45Å; V44-T48 PolarHBondContact O-OG1 2.96Å; D45-T48 PolarHBondContact O-N 3.37Å; F46-T48 PolarHBondContact O-N 2.89Å; T48-F51 PolarHBondContact O-N 3.33Å; T48-Q52 PolarHBondContact O-N 3.38Å |
| 49 | S | 65.9 | Low | 56.4 | Low | 60 Ų | 60 | 99.7 Ų | 99.7 | 42% | 0.42 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 174.2 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | D45 F46 F51 Q52 D53 | D45-S49 VanDerWaalsContact O-CB 3.23Å; D45-S49 WeakPolarHBondContact O-CB 3.36Å; D45-S49 PolarHBondContact O-N 2.88Å; F46-S49 PolarHBondContact O-N 3.22Å; S49-F51 PolarHBondContact O-N 3.41Å; S49-Q52 WeakPolarHBondContact O-CA 3.47Å; S49-Q52 WeakPolarHBondContact O-CB 3.39Å; S49-Q52 PolarHBondContact O-N 2.94Å; S49-D53 PolarHBondContact O-N 3.47Å |
| 50 | H | 68.1 | Low | 56.6 | Low | 106 Ų | 106 | 99 Ų | 99 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.7 | -36.1 | 177.8 | -170.1 | 64.7 | 0 | 0 | 0 | 112.1 | F46 L47 Y54 | F46-H50 WeakPolarHBondContact O-CB 3.38Å; F46-H50 PolarHBondContact O-N 3.46Å; L47-H50 PolarHBondContact O-N 2.93Å; H50-Y54 WeakPolarHBondContact O-CB 3.48Å; H50-Y54 PolarHBondContact O-N 3.26Å |
| 51 | F | 63.1 | Low | 55.9 | Low | 30 Ų | 30 | 98.8 Ų | 98.8 | 13% | 0.132 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -71 | -40.3 | 172.2 | -66.6 | -42.6 | 0 | 0 | 0 | 113.2 | L47 T48 S49 D53 Y54 Y55 H117 | L47-F51 HydrophobicContact CB-CE2 4.44Å; L47-F51 HydrophobicContact CD1-CE2 4.1Å; L47-F51 HydrophobicContact CD1-CZ 3.85Å; L47-F51 HydrophobicContact CD2-CE2 3.74Å; L47-F51 HydrophobicContact CD2-CZ 4.08Å; L47-F51 HydrophobicContact CG-CD2 4.19Å; L47-F51 HydrophobicContact CG-CE2 3.39Å; L47-F51 HydrophobicContact CG-CZ 3.68Å; L47-F51 WeakPolarHBondContact O-CD2 3.45Å; L47-F51 WeakPolarHBondContact O-CE2 3.39Å; L47-F51 VanDerWaalsContact O-CG 3.29Å; L47-F51 WeakPolarHBondContact O-CG 3.35Å; L47-F51 PolarHBondContact O-N 3.45Å; T48-F51 PolarHBondContact O-N 3.33Å; S49-F51 PolarHBondContact O-N 3.41Å; F51-D53 PolarHBondContact O-N 3.17Å; F51-Y54 PolarHBondContact O-N 3.02Å; F51-Y55 VanDerWaalsContact O-CD2 3.24Å; F51-Y55 WeakPolarHBondContact O-CD2 3.32Å; F51-Y55 PolarHBondContact O-N 3.46Å; F51-Y55 VanDerWaalsContact O-N 3.07Å; F51-H117 HydrophobicContact CD1-CB 4.42Å; F51-H117 HydrophobicContact CE1-CB 3.54Å; F51-H117 AromaticContact CE1-CE1 3.9Å; F51-H117 AromaticContact CE1-CG 3.42Å; F51-H117 VanDerWaalsContact CE1-CG 3.42Å; F51-H117 AromaticContact CE1-ND1 3.13Å; F51-H117 WeakPolarHBondContact CE1-ND1 3.37Å; F51-H117 HydrophobicContact CE2-CB 3.97Å; F51-H117 HydrophobicContact CZ-CB 3.28Å; F51-H117 AromaticContact CZ-CD2 3.93Å; F51-H117 AromaticContact CZ-CG 3.29Å; F51-H117 AromaticContact CZ-ND1 3.5Å |
| 52 | Q | 64.3 | Low | 55.2 | Low | 137 Ų | 137 | 103 Ų | 103 | 64% | 0.64 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.2 | -42.9 | 174.9 | -164.2 | 92.1 | 13.2 | 0 | 0 | 110.2 | T48 S49 Y55 K56 | T48-Q52 PolarHBondContact O-N 3.38Å; S49-Q52 WeakPolarHBondContact O-CA 3.47Å; S49-Q52 WeakPolarHBondContact O-CB 3.39Å; S49-Q52 PolarHBondContact O-N 2.94Å; Q52-Y55 PolarHBondContact O-N 2.9Å; Q52-K56 WeakPolarHBondContact O-CB 3.42Å; Q52-K56 PolarHBondContact O-N 3.01Å |
| 53 | D | 54.2 | Low | 54.4 | Low | 73 Ų | 73 | 104 Ų | 104 | 39% | 0.39 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -43.5 | 179.7 | -66.7 | -33.3 | 0 | 0 | 0 | 112.3 | S49 F51 Y55 K56 D57 | S49-D53 PolarHBondContact O-N 3.47Å; F51-D53 PolarHBondContact O-N 3.17Å; D53-Y55 VanDerWaalsContact C-N 3.31Å; D53-Y55 PolarHBondContact O-N 2.92Å; D53-K56 WeakPolarHBondContact O-CA 3.44Å; D53-K56 VanDerWaalsContact O-CB 3.3Å; D53-K56 WeakPolarHBondContact O-CB 3.24Å; D53-K56 PolarHBondContact O-N 3.46Å; D53-D57 PolarHBondContact O-N 2.67Å |
| 54 | Y | 51.2 | Low | 53.4 | Low | 114 Ų | 114 | 103.1 Ų | 103.1 | 45% | 0.447 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 175.4 | -178.7 | -95.4 | 0 | 0 | 0 | 113 | H50 F51 S58 E114 | H50-Y54 WeakPolarHBondContact O-CB 3.48Å; H50-Y54 PolarHBondContact O-N 3.26Å; F51-Y54 PolarHBondContact O-N 3.02Å; Y54-S58 PolarHBondContact O-N 3.16Å; Y54-S58 PolarHBondContact O-OG 3.33Å; Y54-S58 VanDerWaalsContact O-OG 3.09Å; Y54-E114 HydrophobicContact CE1-CG 4.31Å; Y54-E114 WeakPolarHBondContact CE1-OE1 3.31Å; Y54-E114 PolarHBondContact OH-OE1 2.8Å |
| 55 | Y | 52.8 | Low | 52 | Low | 103 Ų | 103 | 110 Ų | 110 | 40% | 0.404 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -78.5 | -21.2 | 173.9 | -79.5 | -73.6 | 0 | 0 | 0 | 113.5 | F51 Q52 D53 | F51-Y55 VanDerWaalsContact O-CD2 3.24Å; F51-Y55 WeakPolarHBondContact O-CD2 3.32Å; F51-Y55 PolarHBondContact O-N 3.46Å; F51-Y55 VanDerWaalsContact O-N 3.07Å; Q52-Y55 PolarHBondContact O-N 2.9Å; D53-Y55 VanDerWaalsContact C-N 3.31Å; D53-Y55 PolarHBondContact O-N 2.92Å |
| 56 | K | 50.5 | Low | 50.9 | Low | 144 Ų | 144 | 114.8 Ų | 114.8 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.1 | -43.8 | 173.1 | -141.3 | 174.4 | -178.5 | -177.2 | 0 | 110.7 | Q52 D53 S58 R59 | Q52-K56 WeakPolarHBondContact O-CB 3.42Å; Q52-K56 PolarHBondContact O-N 3.01Å; D53-K56 WeakPolarHBondContact O-CA 3.44Å; D53-K56 VanDerWaalsContact O-CB 3.3Å; D53-K56 WeakPolarHBondContact O-CB 3.24Å; D53-K56 PolarHBondContact O-N 3.46Å; K56-S58 PolarHBondContact O-N 3.23Å; K56-R59 PolarHBondContact O-N 3.05Å |
| 57 | D | 40.1 | Very low | 49.6 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 61% | 0.61 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.3 | -31.4 | 178.8 | -91.9 | -9.2 | 0 | 0 | 0 | 113.4 | D53 R59 L60 | D53-D57 PolarHBondContact O-N 2.67Å; D57-R59 PolarHBondContact O-N 3.17Å; D57-L60 PolarHBondContact O-N 3.04Å |
| 58 | S | 47.2 | Very low | 48.1 | Very low | 71 Ų | 71 | 119.4 Ų | 119.4 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.7 | -4.5 | 175.9 | -67.7 | 0 | 0 | 0 | 0 | 114.5 | Y54 K56 | Y54-S58 PolarHBondContact O-N 3.16Å; Y54-S58 PolarHBondContact O-OG 3.33Å; Y54-S58 VanDerWaalsContact O-OG 3.09Å; K56-S58 PolarHBondContact O-N 3.23Å |
| 59 | R | 49.4 | Very low | 46.9 | Very low | 222 Ų | 222 | 124 Ų | 124 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -3.1 | 171.3 | -60.3 | -167 | -168.6 | -174.1 | 5.2 | 113.8 | K56 D57 | K56-R59 PolarHBondContact O-N 3.05Å; D57-R59 PolarHBondContact O-N 3.17Å |
| 60 | L | 46.5 | Very low | 45.3 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 76% | 0.764 | 64% | 0.643 | S | S | * | * | trans | -114.8 | 47.5 | -175.1 | -68.9 | 177.3 | 0 | 0 | 0 | 113.1 | D57 | D57-L60 PolarHBondContact O-N 3.04Š| ||
| 61 | A | 40.8 | Very low | 44.2 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -125 | 92.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 62 | H | 38.8 | Very low | 42.8 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 79% | 0.787 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 59.1 | 127.2 | 158.6 | -89.4 | -92.2 | 0 | 0 | 0 | 119.1 | ||
| 63 | D | 36.3 | Very low | 41.2 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | cis | -158.8 | 147.1 | 16.5 | -143.1 | -15 | 0 | 0 | 0 | 112.9 | ||||
| 64 | G | 36.4 | Very low | 40.5 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | trans | 66.6 | 97.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 65 | D | 31.3 | Very low | 39.5 | Very low | 168 Ų | 168 | 138 Ų | 138 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | -175.2 | 143.1 | 97.2 | -145.1 | -7.1 | 0 | 0 | 0 | 110.7 | |||||
| 66 | Y | 37.2 | Very low | 39.1 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -84 | 123 | -170.7 | -173.9 | -92.9 | 0 | 0 | 0 | 110.8 | ||||
| 67 | C | 35.4 | Very low | 38.4 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 90% | 0.899 | 75% | 0.754 | S | S | * | * | trans | -139.4 | 138.7 | 156.2 | -84.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 68 | E | 33.6 | Very low | 38.4 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -74.8 | 161.4 | -153.6 | -164.8 | 173.6 | 175.1 | 0 | 0 | 115.2 | G70 | E68-G70 PolarHBondContact O-N 3.06Š| ||
| 69 | I | 41.8 | Very low | 38 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -46 | 124.2 | -178.9 | -66.9 | 156.3 | 0 | 0 | 0 | 112.8 | ||||
| 70 | G | 33.1 | Very low | 37.2 | Very low | 52 Ų | 52 | 132.9 Ų | 132.9 | 54% | 0.536 | 77% | 0.771 | S | S | . | * | trans | -139.6 | 107.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | E68 F72 | E68-G70 PolarHBondContact O-N 3.06Å; G70-F72 WeakPolarHBondContact O-CD2 3.32Å; G70-F72 PolarHBondContact O-N 3.18Å | ||
| 71 | N | 45.2 | Very low | 36.9 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -44 | 122.5 | 165.5 | -107.1 | 10.6 | 0 | 0 | 0 | 110.9 | ||||
| 72 | F | 32.4 | Very low | 36.3 | Very low | 197 Ų | 197 | 136 Ų | 136 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -135.8 | 115.7 | 163.7 | -76.3 | -73.3 | 0 | 0 | 0 | 112.7 | G70 | G70-F72 WeakPolarHBondContact O-CD2 3.32Å; G70-F72 PolarHBondContact O-N 3.18Å | ||
| 73 | S | 31.9 | Very low | 36.2 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -44.3 | 140.4 | 166.1 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | S75 | S73-S75 PolarHBondContact O-N 3.21Å; S73-S75 VanDerWaalsContact O-N 3.07Å | ||
| 74 | F | 37.8 | Very low | 35.9 | Very low | 191 Ų | 191 | 139 Ų | 139 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -54.8 | 108.7 | 169.7 | -177.2 | -100.3 | 0 | 0 | 0 | 110.3 | ||||
| 75 | S | 30.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -126.2 | 108.2 | 163.6 | -75.8 | 0 | 0 | 0 | 0 | 108.5 | S73 S77 | S73-S75 PolarHBondContact O-N 3.21Å; S73-S75 VanDerWaalsContact O-N 3.07Å; S75-S77 PolarHBondContact O-N 3.33Å | ||
| 76 | S | 45.8 | Very low | 36 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -50.8 | 125.2 | 163.8 | -68.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 77 | S | 36 | Very low | 35.8 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -152.9 | 101.7 | 160.1 | -71.6 | 0 | 0 | 0 | 0 | 106.5 | S75 | S75-S77 PolarHBondContact O-N 3.33Š| ||
| 78 | S | 38.3 | Very low | 35.8 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 46.4 | 99.9 | 91.9 | -172 | 0 | 0 | 0 | 0 | 111.2 | T80 | S78-T80 PolarHBondContact O-N 2.91Å; S78-T80 PolarHBondContact O-OG1 3.1Å | |||
| 79 | S | 39.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -56.4 | 100 | 170.8 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 80 | T | 33 | Very low | 35.8 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -98 | 116.3 | 172.5 | -39.4 | 0 | 0 | 0 | 0 | 107.1 | S78 S82 | S78-T80 PolarHBondContact O-N 2.91Å; S78-T80 PolarHBondContact O-OG1 3.1Å; T80-S82 PolarHBondContact O-N 3.38Å | ||
| 81 | F | 39.8 | Very low | 36 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -72.9 | 100.2 | 176.9 | -164.2 | -89.3 | 0 | 0 | 0 | 108 | Y83 | F81-Y83 PolarHBondContact O-N 2.96Š| ||
| 82 | S | 29 | Very low | 35.5 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -84.1 | 108.3 | 172.9 | 18.5 | 0 | 0 | 0 | 0 | 109.6 | T80 | T80-S82 PolarHBondContact O-N 3.38Š| ||
| 83 | Y | 36.5 | Very low | 35.8 | Very low | 200 Ų | 200 | 132.1 Ų | 132.1 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | -74.9 | 122.8 | 155.6 | 49.2 | -86 | 0 | 0 | 0 | 106.9 | F81 | F81-Y83 PolarHBondContact O-N 2.96Š| ||
| 84 | E | 28.8 | Very low | 36.7 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | -106.2 | 109.4 | 170.1 | -149.9 | 164.9 | 150.9 | 0 | 0 | 107.8 | ||||
| 85 | C | 33.3 | Very low | 36.6 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -89.9 | 117.7 | 173.7 | -169.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 86 | T | 37.6 | Very low | 36.9 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -112.7 | 114.9 | 168.3 | 50.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 87 | D | 32.5 | Very low | 36.8 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -106.6 | 149.8 | 171.3 | -178.4 | 29 | 0 | 0 | 0 | 109.2 | ||||
| 88 | S | 35.8 | Very low | 36.8 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | trans | 97.6 | 95 | 162.6 | -62.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 89 | T | 39.9 | Very low | 37 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | 56.5 | 113.2 | 125.4 | 66.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 90 | S | 35.2 | Very low | 37.4 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | 163.5 | 119.8 | 103.9 | 42.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 91 | E | 37.1 | Very low | 38.1 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 46.9 | 118 | 137.4 | -79.8 | -80.7 | 134.4 | 0 | 0 | 122.6 | ||||
| 92 | L | 35.7 | Very low | 38.8 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 121 | 90.5 | 141.5 | -61.1 | 179.8 | 0 | 0 | 0 | 118.5 | ||||
| 93 | S | 37.8 | Very low | 40.1 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 64 | 154.7 | 137.6 | -88.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 94 | P | 51.2 | Low | 40.8 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -117.3 | 143.8 | -150.5 | 38.5 | -24.4 | 0 | 0 | 0 | 114.2 | ||||
| 95 | Q | 35.6 | Very low | 42 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -174.2 | 153.7 | 144.3 | -123.3 | 173.2 | 65.1 | 0 | 0 | 115.2 | ||||
| 96 | M | 36.6 | Very low | 43 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | trans | 94.6 | 100.3 | 162.2 | -51.7 | -44.2 | -109.1 | 0 | 0 | 116.7 | ||||
| 97 | G | 44.1 | Very low | 44.1 | Very low | 85 Ų | 85 | 148 Ų | 148 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | -57.7 | 133.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 98 | G | 35.3 | Very low | 45.7 | Very low | 65 Ų | 65 | 151.8 Ų | 151.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | -114.9 | 109.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | V100 | G98-V100 VanDerWaalsContact C-N 3.32Å; G98-V100 PolarHBondContact O-N 3.42Å | ||
| 99 | D | 42.5 | Very low | 47.1 | Very low | 165 Ų | 165 | 156 Ų | 156 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -56.1 | 97.7 | 164.3 | -72.7 | -50.4 | 0 | 0 | 0 | 108.2 | P101 | D99-P101 WeakPolarHBondContact O-CD 3.26Š| ||
| 100 | V | 48.3 | Very low | 48.9 | Very low | 133 Ų | 133 | 156.1 Ų | 156.1 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | -74.8 | 109.1 | 162.4 | -95.4 | 0 | 0 | 0 | 0 | 106.3 | G98 M102 | G98-V100 VanDerWaalsContact C-N 3.32Å; G98-V100 PolarHBondContact O-N 3.42Å; V100-M102 PolarHBondContact O-N 3.48Å | ||
| 101 | P | 48.4 | Very low | 51.4 | Low | 103 Ų | 103 | 153.1 Ų | 153.1 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | -65.7 | 112.3 | 174.6 | 27.8 | -31.1 | 0 | 0 | 0 | 106.3 | D99 L103 | D99-P101 WeakPolarHBondContact O-CD 3.26Å; P101-L103 PolarHBondContact O-N 2.97Å | ||
| 102 | M | 54 | Low | 53.8 | Low | 172 Ų | 172 | 151.1 Ų | 151.1 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | trans | -56.6 | 91.4 | 167.9 | -175.8 | -177.2 | 147.9 | 0 | 0 | 107 | V100 K104 | V100-M102 PolarHBondContact O-N 3.48Å; M102-K104 PolarHBondContact O-N 3.3Å | ||
| 103 | L | 56.9 | Low | 56.4 | Low | 159 Ų | 159 | 150 Ų | 150 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -61.4 | 93.5 | 175 | -71.6 | 173 | 0 | 0 | 0 | 106.2 | P101 R105 | P101-L103 PolarHBondContact O-N 2.97Å; L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.1Å | ||
| 104 | K | 51.3 | Low | 58.8 | Low | 178 Ų | 178 | 146.3 Ų | 146.3 | 77% | 0.774 | 73% | 0.731 | S | S | * | * | trans | -47.8 | 105.8 | 164.6 | -91.2 | 175.5 | 175.8 | 171 | 0 | 105 | M102 R106 | M102-K104 PolarHBondContact O-N 3.3Å; K104-R106 PolarHBondContact O-N 3.38Å | ||
| 105 | R | 52.3 | Low | 60.7 | Low | 240 Ų | 240 | 145 Ų | 145 | 91% | 0.906 | 72% | 0.716 | S | S | * | * | trans | -59.5 | 84.8 | 173 | -168.6 | 174 | -176.9 | 167.5 | 0.9 | 105.9 | L103 R107 | L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.1Å; R105-R107 PolarHBondContact O-N 3.41Å | ||
| 106 | R | 55.6 | Low | 63.3 | Low | 225 Ų | 225 | 141.8 Ų | 141.8 | 85% | 0.849 | 70% | 0.701 | S | S | * | * | trans | -52.9 | 112.1 | 172 | -75 | 176.5 | 71.1 | -174.3 | 1.7 | 103 | K104 R108 | K104-R106 PolarHBondContact O-N 3.38Å; R106-R108 PolarHBondContact O-N 3.4Å | ||
| 107 | R | 60.8 | Low | 65.9 | Low | 229 Ų | 229 | 136.8 Ų | 136.8 | 86% | 0.864 | 68% | 0.676 | S | S | * | * | trans | -56.9 | 99.8 | 169.9 | -65.8 | -179.8 | -166.8 | 161.6 | 2.6 | 103.7 | R105 M109 | R105-R107 PolarHBondContact O-N 3.41Å; R107-M109 PolarHBondContact O-N 3.1Å | ||
| 108 | R | 65.1 | Low | 68.3 | Low | 223 Ų | 223 | 137 Ų | 137 | 84% | 0.842 | 66% | 0.656 | S | S | * | * | trans | -55.3 | 112.8 | 172.3 | -74.7 | -173.5 | -179.6 | 169 | 0.1 | 103.5 | R106 R110 | R106-R108 PolarHBondContact O-N 3.4Å; R108-R110 PolarHBondContact O-N 3.44Å | ||
| 109 | M | 66.3 | Low | 71.1 | Confident | 173 Ų | 173 | 141.4 Ų | 141.4 | 85% | 0.852 | 65% | 0.653 | S | S | * | * | trans | -60.6 | 111.8 | 172.4 | -69.2 | -97.5 | 74.7 | 0 | 0 | 104 | R107 | R107-M109 PolarHBondContact O-N 3.1Š| ||
| 110 | R | 76.7 | Confident | 73.7 | Confident | 127 Ų | 127 | 137.9 Ų | 137.9 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | trans | -55.8 | 141.1 | 176.3 | -74.4 | 178.7 | 173.6 | 163 | -4.6 | 107.9 | R108 E114 | R108-R110 PolarHBondContact O-N 3.44Å; R110-E114 WeakPolarHBondContact CA-OE2 3.33Å; R110-E114 HydrophobicContact CB-CB 4.19Å | ||
| 111 | S | 88.4 | Confident | 75.8 | Confident | 53 Ų | 53 | 133.2 Ų | 133.2 | 37% | 0.371 | 61% | 0.606 | S | S | . | * | trans | -61.2 | 155.1 | 175.9 | 72.5 | 0 | 0 | 0 | 0 | 109.8 | M113 E114 M115 | S111-M113 PolarHBondContact O-N 3.03Å; S111-E114 PolarHBondContact N-OE2 3.27Å; S111-E114 VanDerWaalsContact N-OE2 3.15Å; S111-E114 PolarHBondContact O-N 2.97Å; S111-E114 VanDerWaalsContact O-N 3.11Å; S111-E114 VanDerWaalsContact OG-CG 3.28Å; S111-E114 WeakPolarHBondContact OG-CG 3.35Å; S111-E114 PolarHBondContact OG-N 2.95Å; S111-E114 VanDerWaalsContact OG-N 3.14Å; S111-M115 PolarHBondContact O-N 3.01Å | ||
| 112 | D | 87.4 | Confident | 78.1 | Confident | 127 Ų | 127 | 131 Ų | 131 | 68% | 0.679 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.5 | -34.7 | 178.2 | -72.4 | -30 | 0 | 0 | 0 | 111.5 | M115 Q116 | D112-M115 PolarHBondContact O-N 2.89Å; D112-Q116 WeakPolarHBondContact O-CG 3.36Å; D112-Q116 PolarHBondContact O-N 3.1Å |
| 113 | M | 88.8 | Confident | 80.1 | Confident | 126 Ų | 126 | 128.3 Ų | 128.3 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.3 | -48 | 174.1 | -173.7 | -171.8 | -85.7 | 0 | 0 | 111.7 | S111 M115 Q116 H117 | S111-M113 PolarHBondContact O-N 3.03Å; M113-M115 PolarHBondContact O-N 3.32Å; M113-Q116 PolarHBondContact O-N 3.48Å; M113-H117 WeakPolarHBondContact O-CB 3.38Å; M113-H117 VanDerWaalsContact O-CG 3.24Å; M113-H117 PolarHBondContact O-N 2.74Å |
| 114 | E | 88.4 | Confident | 82 | Confident | 43 Ų | 43 | 122.5 Ų | 122.5 | 20% | 0.201 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -60.5 | -34.9 | 175.5 | -75.1 | 170.2 | 177.3 | 0 | 0 | 112.2 | Y54 R110 S111 L118 | Y54-E114 HydrophobicContact CE1-CG 4.31Å; Y54-E114 WeakPolarHBondContact CE1-OE1 3.31Å; Y54-E114 PolarHBondContact OH-OE1 2.8Å; R110-E114 WeakPolarHBondContact CA-OE2 3.33Å; R110-E114 HydrophobicContact CB-CB 4.19Å; S111-E114 PolarHBondContact N-OE2 3.27Å; S111-E114 VanDerWaalsContact N-OE2 3.15Å; S111-E114 PolarHBondContact O-N 2.97Å; S111-E114 VanDerWaalsContact O-N 3.11Å; S111-E114 VanDerWaalsContact OG-CG 3.28Å; S111-E114 WeakPolarHBondContact OG-CG 3.35Å; S111-E114 PolarHBondContact OG-N 2.95Å; S111-E114 VanDerWaalsContact OG-N 3.14Å; E114-L118 PolarHBondContact O-N 3.47Å; E114-L118 VanDerWaalsContact O-N 3.08Å |
| 115 | M | 91.1 | Very high | 84.3 | Confident | 81 Ų | 81 | 123.5 Ų | 123.5 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70 | -41.5 | 176.2 | -170.3 | 177.7 | -59.4 | 0 | 0 | 112 | S111 D112 M113 H117 L118 R119 | S111-M115 PolarHBondContact O-N 3.01Å; D112-M115 PolarHBondContact O-N 2.89Å; M113-M115 PolarHBondContact O-N 3.32Å; M115-H117 VanDerWaalsContact C-N 3.34Å; M115-L118 PolarHBondContact O-N 3.32Å; M115-R119 VanDerWaalsContact O-CG 3.3Å; M115-R119 WeakPolarHBondContact O-CG 3.46Å; M115-R119 PolarHBondContact O-N 2.99Å |
| 116 | Q | 92 | Very high | 86.4 | Confident | 113 Ų | 113 | 116 Ų | 116 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 175.8 | -73.5 | 174.3 | 12.1 | 0 | 0 | 111.2 | D112 M113 L118 R119 Q120 | D112-Q116 WeakPolarHBondContact O-CG 3.36Å; D112-Q116 PolarHBondContact O-N 3.1Å; M113-Q116 PolarHBondContact O-N 3.48Å; Q116-L118 PolarHBondContact O-N 3.07Å; Q116-R119 WeakPolarHBondContact O-CB 3.48Å; Q116-R119 PolarHBondContact O-N 2.83Å; Q116-Q120 WeakPolarHBondContact O-CG 3.29Å; Q116-Q120 PolarHBondContact O-N 3.35Å |
| 117 | H | 90.5 | Very high | 88.5 | Confident | 53 Ų | 53 | 113.1 Ų | 113.1 | 25% | 0.245 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176.3 | -72.7 | 175 | 0 | 0 | 0 | 112.8 | F51 M113 M115 R119 Q120 A121 | F51-H117 HydrophobicContact CD1-CB 4.42Å; F51-H117 HydrophobicContact CE1-CB 3.54Å; F51-H117 AromaticContact CE1-CE1 3.9Å; F51-H117 AromaticContact CE1-CG 3.42Å; F51-H117 VanDerWaalsContact CE1-CG 3.42Å; F51-H117 AromaticContact CE1-ND1 3.13Å; F51-H117 WeakPolarHBondContact CE1-ND1 3.37Å; F51-H117 HydrophobicContact CE2-CB 3.97Å; F51-H117 HydrophobicContact CZ-CB 3.28Å; F51-H117 AromaticContact CZ-CD2 3.93Å; F51-H117 AromaticContact CZ-CG 3.29Å; F51-H117 AromaticContact CZ-ND1 3.5Å; M113-H117 WeakPolarHBondContact O-CB 3.38Å; M113-H117 VanDerWaalsContact O-CG 3.24Å; M113-H117 PolarHBondContact O-N 2.74Å; M115-H117 VanDerWaalsContact C-N 3.34Å; H117-R119 VanDerWaalsContact C-N 3.3Å; H117-R119 PolarHBondContact O-N 3.36Å; H117-Q120 PolarHBondContact O-N 3.25Å; H117-A121 PolarHBondContact O-N 2.79Å |
| 118 | L | 93.4 | Very high | 90.3 | Very high | 88 Ų | 88 | 106.6 Ų | 106.6 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 175.8 | -175.6 | 64.9 | 0 | 0 | 0 | 112.4 | E114 M115 Q116 A122 | E114-L118 PolarHBondContact O-N 3.47Å; E114-L118 VanDerWaalsContact O-N 3.08Å; M115-L118 PolarHBondContact O-N 3.32Å; Q116-L118 PolarHBondContact O-N 3.07Å; L118-A122 WeakPolarHBondContact O-CB 3.21Å; L118-A122 PolarHBondContact O-N 3.38Å |
| 119 | R | 95.4 | Very high | 91.9 | Very high | 159 Ų | 159 | 102.7 Ų | 102.7 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 175.2 | -71.2 | 170.2 | -176.9 | -117.4 | 5.4 | 111.1 | M115 Q116 H117 A122 N123 | M115-R119 VanDerWaalsContact O-CG 3.3Å; M115-R119 WeakPolarHBondContact O-CG 3.46Å; M115-R119 PolarHBondContact O-N 2.99Å; Q116-R119 WeakPolarHBondContact O-CB 3.48Å; Q116-R119 PolarHBondContact O-N 2.83Å; H117-R119 VanDerWaalsContact C-N 3.3Å; H117-R119 PolarHBondContact O-N 3.36Å; R119-A122 PolarHBondContact O-N 3.42Å; R119-N123 WeakPolarHBondContact O-CB 3.29Å; R119-N123 PolarHBondContact O-N 3.12Å; R119-N123 PolarHBondContact O-ND2 2.91Å |
| 120 | Q | 95.8 | Very high | 93.4 | Very high | 91 Ų | 91 | 97.5 Ų | 97.5 | 43% | 0.425 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 176.1 | -71.7 | 171.8 | -3.1 | 0 | 0 | 111.2 | Q116 H117 A122 N123 V124 | Q116-Q120 WeakPolarHBondContact O-CG 3.29Å; Q116-Q120 PolarHBondContact O-N 3.35Å; H117-Q120 PolarHBondContact O-N 3.25Å; Q120-A122 VanDerWaalsContact C-N 3.28Å; Q120-A122 PolarHBondContact O-N 3.43Å; Q120-N123 WeakPolarHBondContact O-CB 3.49Å; Q120-N123 PolarHBondContact O-N 3.16Å; Q120-N123 VanDerWaalsContact O-N 3.12Å; Q120-V124 WeakPolarHBondContact O-CG2 3.49Å; Q120-V124 PolarHBondContact O-N 3.12Å |
| 121 | A | 93.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 96.3 Ų | 96.3 | 28% | 0.281 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H117 V124 R125 | H117-A121 PolarHBondContact O-N 2.79Å; A121-V124 PolarHBondContact O-N 3.1Å; A121-R125 WeakPolarHBondContact O-CB 3.34Å; A121-R125 PolarHBondContact O-N 3.02Å |
| 122 | A | 94.9 | Very high | 94.9 | Very high | 56 Ų | 56 | 97.6 Ų | 97.6 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L118 R119 Q120 V124 R125 E126 | L118-A122 WeakPolarHBondContact O-CB 3.21Å; L118-A122 PolarHBondContact O-N 3.38Å; R119-A122 PolarHBondContact O-N 3.42Å; Q120-A122 VanDerWaalsContact C-N 3.28Å; Q120-A122 PolarHBondContact O-N 3.43Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 3.08Å; A122-R125 PolarHBondContact O-N 3.17Å; A122-E126 PolarHBondContact O-N 3.48Å |
| 123 | N | 97.8 | Very high | 95.4 | Very high | 116 Ų | 116 | 94.5 Ų | 94.5 | 62% | 0.62 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 178.1 | -73.9 | -17.4 | 0 | 0 | 0 | 112 | R119 Q120 E126 R127 | R119-N123 WeakPolarHBondContact O-CB 3.29Å; R119-N123 PolarHBondContact O-N 3.12Å; R119-N123 PolarHBondContact O-ND2 2.91Å; Q120-N123 WeakPolarHBondContact O-CB 3.49Å; Q120-N123 PolarHBondContact O-N 3.16Å; Q120-N123 VanDerWaalsContact O-N 3.12Å; N123-E126 PolarHBondContact O-N 3.24Å; N123-R127 PolarHBondContact O-N 2.88Å |
| 124 | V | 96.9 | Very high | 95.9 | Very high | 38 Ų | 38 | 91.3 Ų | 91.3 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | V44 Q120 A121 A122 E126 R127 R128 | V44-V124 HydrophobicContact CB-CG1 3.92Å; V44-V124 HydrophobicContact CG1-CB 4.44Å; V44-V124 HydrophobicContact CG1-CG1 3.27Å; V44-V124 HydrophobicContact CG2-CB 4.3Å; V44-V124 HydrophobicContact CG2-CG1 3.38Å; V44-V124 HydrophobicContact CG2-CG2 3.95Å; Q120-V124 WeakPolarHBondContact O-CG2 3.49Å; Q120-V124 PolarHBondContact O-N 3.12Å; A121-V124 PolarHBondContact O-N 3.1Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 3.08Å; V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 3.15Å; V124-R127 WeakPolarHBondContact O-CB 3.23Å; V124-R127 PolarHBondContact O-N 2.97Å; V124-R127 VanDerWaalsContact O-N 3.1Å; V124-R128 PolarHBondContact O-N 3.48Å |
| 125 | R | 98.1 | Very high | 96.4 | Very high | 199 Ų | 199 | 93.6 Ų | 93.6 | 75% | 0.751 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -57.2 | -42.2 | 175.8 | -177 | -178.8 | 177.8 | -175 | 0.6 | 111.7 | A121 A122 R128 R129 | A121-R125 WeakPolarHBondContact O-CB 3.34Å; A121-R125 PolarHBondContact O-N 3.02Å; A122-R125 PolarHBondContact O-N 3.17Å; R125-R128 PolarHBondContact O-N 3.29Å; R125-R129 WeakPolarHBondContact O-CB 3.21Å; R125-R129 PolarHBondContact O-N 3.23Å |
| 126 | E | 97.9 | Very high | 96.7 | Very high | 81 Ų | 81 | 93 Ų | 93 | 38% | 0.379 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68 | -37.5 | 177.4 | -176.3 | 62.4 | -177.1 | 0 | 0 | 111.8 | A122 N123 V124 R129 M130 | A122-E126 PolarHBondContact O-N 3.48Å; N123-E126 PolarHBondContact O-N 3.24Å; V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 3.15Å; E126-R129 VanDerWaalsContact CD-NH1 3.26Å; E126-R129 PolarHBondContact O-N 3.26Å; E126-R129 IonicContact OE1-CZ 3.99Å; E126-R129 IonicContact OE1-NH1 3.12Å; E126-R129 PolarHBondContact OE1-NH1 3.25Å; E126-R129 WeakPolarHBondContact OE2-CD 3.42Å; E126-R129 IonicContact OE2-CZ 3.76Å; E126-R129 IonicContact OE2-NH1 3.14Å; E126-R129 PolarHBondContact OE2-NH1 3.11Å; E126-M130 WeakPolarHBondContact O-CG 3.46Å; E126-M130 PolarHBondContact O-N 3.13Å; E126-M130 WeakPolarHBondContact OE1-CE 3.33Å |
| 127 | R | 98.5 | Very high | 97 | Very high | 165 Ų | 165 | 89.2 Ų | 89.2 | 62% | 0.623 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.6 | -49.1 | 172.8 | -172.8 | -175.6 | -65.1 | -175.9 | -0.4 | 111.3 | N123 V124 R129 M130 Q131 | N123-R127 PolarHBondContact O-N 2.88Å; V124-R127 WeakPolarHBondContact O-CB 3.23Å; V124-R127 PolarHBondContact O-N 2.97Å; V124-R127 VanDerWaalsContact O-N 3.1Å; R127-R129 VanDerWaalsContact C-N 3.32Å; R127-R129 PolarHBondContact O-N 3.38Å; R127-M130 PolarHBondContact O-N 3.46Å; R127-M130 VanDerWaalsContact O-N 3.13Å; R127-Q131 PolarHBondContact O-N 3.32Å |
| 128 | R | 98.2 | Very high | 97.4 | Very high | 93 Ų | 93 | 90.5 Ų | 90.5 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 175.8 | -73.8 | -174.9 | 170.3 | 170.3 | 1.8 | 111.6 | D41 V44 D45 V124 R125 M130 Q131 S132 | D41-R128 PolarHBondContact O-NH2 2.73Å; D41-R128 VanDerWaalsContact O-NH2 3.16Å; D41-R128 IonicContact OD1-CZ 3.7Å; D41-R128 VanDerWaalsContact OD1-CZ 3.25Å; D41-R128 IonicContact OD1-NE 3.85Å; D41-R128 PolarHBondContact OD1-NE 3.4Å; D41-R128 IonicContact OD1-NH2 3.98Å; D41-R128 PolarHBondContact OD1-NH2 2.85Å; V44-R128 VanDerWaalsContact CG1-CZ 3.42Å; V44-R128 VanDerWaalsContact CG1-NH2 3.3Å; D45-R128 IonicContact OD1-CZ 4Å; D45-R128 IonicContact OD1-NH1 2.74Å; D45-R128 PolarHBondContact OD1-NH1 2.89Å; D45-R128 IonicContact OD1-NH2 3.64Å; D45-R128 PolarHBondContact OD1-NH2 2.99Å; D45-R128 VanDerWaalsContact OD1-NH2 3.12Å; V124-R128 PolarHBondContact O-N 3.48Å; R125-R128 PolarHBondContact O-N 3.29Å; R128-M130 PolarHBondContact O-N 2.68Å; R128-Q131 PolarHBondContact O-N 3.31Å; R128-S132 PolarHBondContact O-N 3.21Å; R128-S132 VanDerWaalsContact O-N 3.08Å |
| 129 | R | 98.6 | Very high | 97.6 | Very high | 140 Ų | 140 | 87.9 Ų | 87.9 | 53% | 0.528 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.6 | -178.6 | -174.7 | 157 | -125.5 | -5 | 111.8 | R125 E126 R127 I133 | R125-R129 WeakPolarHBondContact O-CB 3.21Å; R125-R129 PolarHBondContact O-N 3.23Å; E126-R129 VanDerWaalsContact CD-NH1 3.26Å; E126-R129 PolarHBondContact O-N 3.26Å; E126-R129 IonicContact OE1-CZ 3.99Å; E126-R129 IonicContact OE1-NH1 3.12Å; E126-R129 PolarHBondContact OE1-NH1 3.25Å; E126-R129 WeakPolarHBondContact OE2-CD 3.42Å; E126-R129 IonicContact OE2-CZ 3.76Å; E126-R129 IonicContact OE2-NH1 3.14Å; E126-R129 PolarHBondContact OE2-NH1 3.11Å; R127-R129 VanDerWaalsContact C-N 3.32Å; R127-R129 PolarHBondContact O-N 3.38Å; R129-I133 WeakPolarHBondContact O-CG1 3.5Å; R129-I133 PolarHBondContact O-N 2.94Å |
| 130 | M | 98.6 | Very high | 97.7 | Very high | 65 Ų | 65 | 83.2 Ų | 83.2 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 178.5 | -72.1 | -57.7 | 101.2 | 0 | 0 | 112.4 | E126 R127 R128 I133 N134 | E126-M130 WeakPolarHBondContact O-CG 3.46Å; E126-M130 PolarHBondContact O-N 3.13Å; E126-M130 WeakPolarHBondContact OE1-CE 3.33Å; R127-M130 PolarHBondContact O-N 3.46Å; R127-M130 VanDerWaalsContact O-N 3.13Å; R128-M130 PolarHBondContact O-N 2.68Å; M130-I133 HydrophobicContact CE-CD1 3.46Å; M130-I133 VanDerWaalsContact CE-CD1 3.46Å; M130-I133 PolarHBondContact O-N 3.23Å; M130-I133 HydrophobicContact SD-CD1 4.35Å; M130-N134 VanDerWaalsContact O-CG 3.28Å; M130-N134 PolarHBondContact O-N 2.88Å; M130-N134 PolarHBondContact O-ND2 2.88Å |
| 131 | Q | 98.4 | Very high | 97.7 | Very high | 102 Ų | 102 | 80.5 Ų | 80.5 | 48% | 0.477 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -51.8 | 175 | -171.8 | 59.5 | 31.9 | 0 | 0 | 110.7 | R127 R128 I133 N134 D135 | R127-Q131 PolarHBondContact O-N 3.32Å; R128-Q131 PolarHBondContact O-N 3.31Å; Q131-I133 PolarHBondContact O-N 2.78Å; Q131-I133 VanDerWaalsContact O-N 3.17Å; Q131-N134 WeakPolarHBondContact O-CA 3.5Å; Q131-N134 WeakPolarHBondContact O-CB 3.03Å; Q131-N134 PolarHBondContact O-N 2.9Å; Q131-D135 PolarHBondContact NE2-OD1 2.7Å; Q131-D135 VanDerWaalsContact O-CG 3.27Å; Q131-D135 PolarHBondContact O-N 3.46Å |
| 132 | S | 98.4 | Very high | 97.8 | Very high | 79 Ų | 79 | 83.1 Ų | 83.1 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -54.6 | -38.4 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 113.1 | R128 A136 | R128-S132 PolarHBondContact O-N 3.21Å; R128-S132 VanDerWaalsContact O-N 3.08Å; S132-A136 PolarHBondContact O-N 2.84Å; S132-A136 VanDerWaalsContact O-N 3.12Å |
| 133 | I | 98.3 | Very high | 97.9 | Very high | 63 Ų | 63 | 87 Ų | 87 | 32% | 0.323 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 175.3 | -67.1 | 173.9 | 0 | 0 | 0 | 111.5 | R129 M130 Q131 A136 F137 | R129-I133 WeakPolarHBondContact O-CG1 3.5Å; R129-I133 PolarHBondContact O-N 2.94Å; M130-I133 HydrophobicContact CE-CD1 3.46Å; M130-I133 VanDerWaalsContact CE-CD1 3.46Å; M130-I133 PolarHBondContact O-N 3.23Å; M130-I133 HydrophobicContact SD-CD1 4.35Å; Q131-I133 PolarHBondContact O-N 2.78Å; Q131-I133 VanDerWaalsContact O-N 3.17Å; I133-A136 PolarHBondContact O-N 2.95Å; I133-F137 HydrophobicContact CG2-CD2 4.31Å; I133-F137 PolarHBondContact O-N 3.32Å |
| 134 | N | 98.3 | Very high | 97.8 | Very high | 59 Ų | 59 | 82 Ų | 82 | 32% | 0.316 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68 | -38 | 179.6 | -69.6 | -29.8 | 0 | 0 | 0 | 111.5 | M130 Q131 F137 E138 K155 | M130-N134 VanDerWaalsContact O-CG 3.28Å; M130-N134 PolarHBondContact O-N 2.88Å; M130-N134 PolarHBondContact O-ND2 2.88Å; Q131-N134 WeakPolarHBondContact O-CA 3.5Å; Q131-N134 WeakPolarHBondContact O-CB 3.03Å; Q131-N134 PolarHBondContact O-N 2.9Å; N134-F137 WeakPolarHBondContact O-CA 3.4Å; N134-F137 VanDerWaalsContact O-CB 3.29Å; N134-F137 WeakPolarHBondContact O-CB 3.32Å; N134-F137 PolarHBondContact O-N 3.3Å; N134-F137 VanDerWaalsContact O-N 3.15Å; N134-E138 PolarHBondContact O-N 2.92Å; N134-K155 PolarHBondContact OD1-NZ 3.5Å |
| 135 | D | 98.4 | Very high | 97.7 | Very high | 90 Ų | 90 | 84.3 Ų | 84.3 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.3 | -60.2 | -22.2 | 0 | 0 | 0 | 110.8 | Q131 F137 E138 G139 | Q131-D135 PolarHBondContact NE2-OD1 2.7Å; Q131-D135 VanDerWaalsContact O-CG 3.27Å; Q131-D135 PolarHBondContact O-N 3.46Å; D135-F137 VanDerWaalsContact C-N 3.26Å; D135-F137 PolarHBondContact O-N 2.91Å; D135-E138 PolarHBondContact O-N 3.44Å; D135-E138 VanDerWaalsContact O-N 3.1Å; D135-G139 PolarHBondContact O-N 2.85Å |
| 136 | A | 98.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 78 Ų | 78 | 56% | 0.562 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.4 | -36.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S132 I133 G139 L140 | S132-A136 PolarHBondContact O-N 2.84Å; S132-A136 VanDerWaalsContact O-N 3.12Å; I133-A136 PolarHBondContact O-N 2.95Å; A136-G139 PolarHBondContact O-N 2.97Å; A136-L140 PolarHBondContact O-N 3.13Å |
| 137 | F | 98.4 | Very high | 96.9 | Very high | 34 Ų | 34 | 80.2 Ų | 80.2 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 174.3 | -113.7 | -82.5 | 0 | 0 | 0 | 112.4 | I133 N134 D135 L140 R141 K155 T158 L159 | I133-F137 HydrophobicContact CG2-CD2 4.31Å; I133-F137 PolarHBondContact O-N 3.32Å; N134-F137 WeakPolarHBondContact O-CA 3.4Å; N134-F137 VanDerWaalsContact O-CB 3.29Å; N134-F137 WeakPolarHBondContact O-CB 3.32Å; N134-F137 PolarHBondContact O-N 3.3Å; N134-F137 VanDerWaalsContact O-N 3.15Å; D135-F137 VanDerWaalsContact C-N 3.26Å; D135-F137 PolarHBondContact O-N 2.91Å; F137-L140 PolarHBondContact O-N 2.86Å; F137-R141 WeakPolarHBondContact O-CG 3.41Å; F137-R141 PolarHBondContact O-N 3.41Å; F137-K155 HydrophobicContact CD1-CG 4.21Å; F137-K155 HydrophobicContact CE1-CB 3.79Å; F137-K155 HydrophobicContact CE1-CG 3.92Å; F137-K155 WeakPolarHBondContact CE1-O 3.4Å; F137-K155 HydrophobicContact CE2-CD 4.46Å; F137-K155 HydrophobicContact CZ-CB 3.91Å; F137-K155 HydrophobicContact CZ-CD 4.41Å; F137-K155 HydrophobicContact CZ-CG 4.1Å; F137-T158 HydrophobicContact CD1-CG2 3.97Å; F137-T158 HydrophobicContact CE1-CG2 4.06Å; F137-L159 HydrophobicContact CE1-CD2 4.37Å; F137-L159 HydrophobicContact CE1-CG 4.22Å; F137-L159 HydrophobicContact CZ-CD1 4.15Å; F137-L159 HydrophobicContact CZ-CD2 4.01Å; F137-L159 HydrophobicContact CZ-CG 3.95Å |
| 138 | E | 97.5 | Very high | 95.7 | Very high | 80 Ų | 80 | 78 Ų | 78 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.2 | -40.8 | 176.3 | -159.9 | 62.5 | -150.5 | 0 | 0 | 111.3 | N134 D135 L140 R141 S142 R152 | N134-E138 PolarHBondContact O-N 2.92Å; D135-E138 PolarHBondContact O-N 3.44Å; D135-E138 VanDerWaalsContact O-N 3.1Å; E138-L140 VanDerWaalsContact C-N 3.29Å; E138-L140 PolarHBondContact O-N 3.29Å; E138-R141 WeakPolarHBondContact O-CB 3.3Å; E138-R141 PolarHBondContact O-N 3.32Å; E138-R141 VanDerWaalsContact O-N 3.1Å; E138-R141 IonicContact OE2-CZ 3.9Å; E138-R141 IonicContact OE2-NE 2.8Å; E138-R141 IonicContact OE2-NH1 3.7Å; E138-R141 PolarHBondContact OE2-NH1 3.49Å; E138-S142 PolarHBondContact O-N 2.6Å; E138-R152 IonicContact OE1-NH2 3.71Å; E138-R152 IonicContact OE2-CZ 3.83Å; E138-R152 IonicContact OE2-NE 3.09Å; E138-R152 IonicContact OE2-NH2 3.89Å; E138-R152 PolarHBondContact OE2-NH2 2.85Å |
| 139 | G | 97.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 84.4 Ų | 84.4 | 34% | 0.34 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -55.8 | -44.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D135 A136 R141 S142 H143 | D135-G139 PolarHBondContact O-N 2.85Å; A136-G139 PolarHBondContact O-N 2.97Å; G139-R141 PolarHBondContact O-N 3.47Å; G139-S142 PolarHBondContact O-N 3.1Å; G139-S142 PolarHBondContact O-OG 3.45Å; G139-H143 PolarHBondContact O-CD2 3.01Å |
| 140 | L | 98.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 82.9 Ų | 82.9 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 174.3 | -178.5 | 59.7 | 0 | 0 | 0 | 112.3 | A136 F137 E138 S142 H143 I144 T158 L159 A162 | A136-L140 PolarHBondContact O-N 3.13Å; F137-L140 PolarHBondContact O-N 2.86Å; E138-L140 VanDerWaalsContact C-N 3.29Å; E138-L140 PolarHBondContact O-N 3.29Å; L140-S142 VanDerWaalsContact C-N 3.27Å; L140-S142 PolarHBondContact O-N 3.2Å; L140-H143 PolarHBondContact O-N 3.01Å; L140-H143 VanDerWaalsContact O-N 3.16Å; L140-I144 PolarHBondContact O-N 3.38Å; L140-T158 HydrophobicContact CB-CG2 4.44Å; L140-T158 HydrophobicContact CD2-CG2 3.85Å; L140-T158 HydrophobicContact CG-CG2 3.96Å; L140-L159 HydrophobicContact CD2-CD2 4.28Å; L140-A162 HydrophobicContact CD1-CB 3.92Å; L140-A162 HydrophobicContact CD2-CB 4.21Å; L140-A162 HydrophobicContact CG-CB 4.32Å |
| 141 | R | 97.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 88.5 Ų | 88.5 | 13% | 0.125 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.2 | -38.7 | 177.3 | -72.7 | -179.9 | -167.9 | 93.9 | 13.3 | 112.4 | F137 E138 G139 H143 I144 L153 T158 | F137-R141 WeakPolarHBondContact O-CG 3.41Å; F137-R141 PolarHBondContact O-N 3.41Å; E138-R141 WeakPolarHBondContact O-CB 3.3Å; E138-R141 PolarHBondContact O-N 3.32Å; E138-R141 VanDerWaalsContact O-N 3.1Å; E138-R141 IonicContact OE2-CZ 3.9Å; E138-R141 IonicContact OE2-NE 2.8Å; E138-R141 IonicContact OE2-NH1 3.7Å; E138-R141 PolarHBondContact OE2-NH1 3.49Å; G139-R141 PolarHBondContact O-N 3.47Å; R141-H143 PolarHBondContact O-N 2.99Å; R141-H143 VanDerWaalsContact O-N 3.17Å; R141-I144 PolarHBondContact O-N 2.9Å; R141-L153 PolarHBondContact NE-O 2.83Å; R141-L153 VanDerWaalsContact NE-O 3.13Å; R141-T158 HydrophobicContact CG-CG2 3.7Å; R141-T158 PolarHBondContact NE-OG1 2.99Å |
| 142 | S | 95.8 | Very high | 93.1 | Very high | 90 Ų | 90 | 92.3 Ų | 92.3 | 63% | 0.629 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62 | -23 | -179.8 | 78.1 | 0 | 0 | 0 | 0 | 114 | E138 G139 L140 | E138-S142 PolarHBondContact O-N 2.6Å; G139-S142 PolarHBondContact O-N 3.1Å; G139-S142 PolarHBondContact O-OG 3.45Å; L140-S142 VanDerWaalsContact C-N 3.27Å; L140-S142 PolarHBondContact O-N 3.2Å |
| 143 | H | 96.4 | Very high | 92.9 | Very high | 138 Ų | 138 | 90 Ų | 90 | 64% | 0.639 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -7 | 176.6 | -65 | -59.3 | 0 | 0 | 0 | 113.8 | G139 L140 R141 P145 Y165 | G139-H143 PolarHBondContact O-CD2 3.01Å; L140-H143 PolarHBondContact O-N 3.01Å; L140-H143 VanDerWaalsContact O-N 3.16Å; R141-H143 PolarHBondContact O-N 2.99Å; R141-H143 VanDerWaalsContact O-N 3.17Å; H143-P145 WeakPolarHBondContact O-CD 3.38Å; H143-Y165 WeakPolarHBondContact O-CE1 3.47Å |
| 144 | I | 96.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 89.6 Ų | 89.6 | 6% | 0.056 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -84.1 | 121.9 | 175.9 | -62.6 | 174.1 | 0 | 0 | 0 | 107.6 | L140 R141 T146 L153 T158 L161 A162 | L140-I144 PolarHBondContact O-N 3.38Å; R141-I144 PolarHBondContact O-N 2.9Å; I144-T146 HydrophobicContact CG2-CG2 3.89Å; I144-T146 PolarHBondContact O-N 3.33Å; I144-L153 HydrophobicContact CB-CD1 4.47Å; I144-L153 HydrophobicContact CD1-CD1 4.1Å; I144-L153 HydrophobicContact CG2-CD1 4.07Å; I144-T158 HydrophobicContact CD1-CG2 3.57Å; I144-T158 VanDerWaalsContact CD1-O 3.24Å; I144-T158 WeakPolarHBondContact CD1-O 3.33Å; I144-L161 HydrophobicContact CD1-CB 4.22Å; I144-L161 HydrophobicContact CG2-CB 3.8Å; I144-L161 HydrophobicContact CG2-CD1 4.15Å; I144-A162 HydrophobicContact CD1-CB 4.26Å; I144-A162 HydrophobicContact CG1-CB 4.48Å |
| 145 | P | 94.6 | Very high | 92.9 | Very high | 86 Ų | 86 | 91.7 Ų | 91.7 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | trans | -67.7 | 109.1 | 176.2 | 26.9 | -32.9 | 0 | 0 | 0 | 110 | H143 Y165 | H143-P145 WeakPolarHBondContact O-CD 3.38Å; P145-Y165 HydrophobicContact CG-CD1 4.4Å; P145-Y165 HydrophobicContact CG-CD2 3.75Å; P145-Y165 HydrophobicContact CG-CE1 4.32Å; P145-Y165 HydrophobicContact CG-CE2 3.68Å; P145-Y165 HydrophobicContact CG-CG 4.14Å | ||
| 146 | T | 90.9 | Very high | 92.9 | Very high | 67 Ų | 67 | 91.2 Ų | 91.2 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | trans | -130.6 | 168.4 | 174.6 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | I144 L153 | I144-T146 HydrophobicContact CG2-CG2 3.89Å; I144-T146 PolarHBondContact O-N 3.33Å; T146-L153 HydrophobicContact CG2-CD1 3.85Å; T146-L153 HydrophobicContact CG2-CG 4.41Å | ||
| 147 | L | 86.9 | Confident | 92.8 | Very high | 127 Ų | 127 | 91.1 Ų | 91.1 | 67% | 0.665 | 46% | 0.464 | S | S | * | . | trans | -71.1 | 144.8 | 174.5 | -63.6 | 172 | 0 | 0 | 0 | 110.5 | Y149 E150 | L147-Y149 PolarHBondContact O-N 3.38Å; L147-E150 HydrophobicContact CB-CB 4.21Å; L147-E150 PolarHBondContact N-OE2 2.92Å; L147-E150 VanDerWaalsContact O-CB 3.31Å; L147-E150 WeakPolarHBondContact O-CB 3.49Å; L147-E150 PolarHBondContact O-N 3.49Å | ||
| 148 | P | 73.3 | Confident | 92.8 | Very high | 117 Ų | 117 | 89.5 Ų | 89.5 | 76% | 0.76 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.8 | -175.1 | -25 | 32.7 | 0 | 0 | 0 | 115.4 | ||
| 149 | Y | 77.1 | Confident | 92.8 | Very high | 229 Ų | 229 | 89.8 Ų | 89.8 | 90% | 0.898 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 12.9 | -178.3 | -53.1 | -70.6 | 0 | 0 | 0 | 112.8 | L147 | L147-Y149 PolarHBondContact O-N 3.38Š|
| 150 | E | 83 | Confident | 92.8 | Very high | 107 Ų | 107 | 96.4 Ų | 96.4 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -74 | 147.3 | -179.7 | -157.7 | 162.4 | -175.1 | 0 | 0 | 111 | L147 | L147-E150 HydrophobicContact CB-CB 4.21Å; L147-E150 PolarHBondContact N-OE2 2.92Å; L147-E150 VanDerWaalsContact O-CB 3.31Å; L147-E150 WeakPolarHBondContact O-CB 3.49Å; L147-E150 PolarHBondContact O-N 3.49Å |
| 151 | K | 88.4 | Confident | 92.8 | Very high | 184 Ų | 184 | 97.3 Ų | 97.3 | 80% | 0.8 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 143.3 | 176.6 | -179.5 | 179.2 | 175.6 | 177.1 | 0 | 110 | L153 | K151-L153 PolarHBondContact O-N 3.18Š|
| 152 | R | 91.8 | Very high | 92.9 | Very high | 182 Ų | 182 | 96.2 Ų | 96.2 | 69% | 0.687 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -50 | 125.6 | 172.2 | -70.5 | -175.9 | 74.4 | -164.1 | 4.6 | 111 | E138 | E138-R152 IonicContact OE1-NH2 3.71Å; E138-R152 IonicContact OE2-CZ 3.83Å; E138-R152 IonicContact OE2-NE 3.09Å; E138-R152 IonicContact OE2-NH2 3.89Å; E138-R152 PolarHBondContact OE2-NH2 2.85Å |
| 153 | L | 94.8 | Very high | 93 | Very high | 30 Ų | 30 | 97 Ų | 97 | 16% | 0.157 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 140.3 | -179.6 | -64.4 | 173.7 | 0 | 0 | 0 | 112 | R141 I144 T146 K151 T158 L161 | R141-L153 PolarHBondContact NE-O 2.83Å; R141-L153 VanDerWaalsContact NE-O 3.13Å; I144-L153 HydrophobicContact CB-CD1 4.47Å; I144-L153 HydrophobicContact CD1-CD1 4.1Å; I144-L153 HydrophobicContact CG2-CD1 4.07Å; T146-L153 HydrophobicContact CG2-CD1 3.85Å; T146-L153 HydrophobicContact CG2-CG 4.41Å; K151-L153 PolarHBondContact O-N 3.18Å; L153-T158 WeakPolarHBondContact CB-OG1 3.49Å; L153-L161 HydrophobicContact CD1-CD1 3.68Å; L153-L161 HydrophobicContact CD2-CD1 3.76Å; L153-L161 HydrophobicContact CG-CD1 4.37Å |
| 154 | S | 97.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 92.3 Ų | 92.3 | 38% | 0.378 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 161.1 | 171.4 | 84.7 | 0 | 0 | 0 | 0 | 111 | V156 D157 T158 | S154-V156 VanDerWaalsContact C-N 3.26Å; S154-V156 PolarHBondContact O-N 3.46Å; S154-V156 PolarHBondContact OG-N 3.4Å; S154-D157 WeakPolarHBondContact CB-OD2 3.45Å; S154-D157 PolarHBondContact O-N 3.03Å; S154-D157 PolarHBondContact OG-N 3.27Å; S154-D157 VanDerWaalsContact OG-N 3.1Å; S154-D157 PolarHBondContact OG-OD2 2.96Å; S154-T158 WeakPolarHBondContact O-CB 3.29Å; S154-T158 PolarHBondContact O-N 3.01Å; S154-T158 PolarHBondContact O-OG1 2.99Å |
| 155 | K | 97.9 | Very high | 93.2 | Very high | 104 Ų | 104 | 95.7 Ų | 95.7 | 45% | 0.452 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 177.3 | -70.1 | -171.9 | 176.4 | -172.1 | 0 | 111.9 | N134 F137 L159 | N134-K155 PolarHBondContact OD1-NZ 3.5Å; F137-K155 HydrophobicContact CD1-CG 4.21Å; F137-K155 HydrophobicContact CE1-CB 3.79Å; F137-K155 HydrophobicContact CE1-CG 3.92Å; F137-K155 WeakPolarHBondContact CE1-O 3.4Å; F137-K155 HydrophobicContact CE2-CD 4.46Å; F137-K155 HydrophobicContact CZ-CB 3.91Å; F137-K155 HydrophobicContact CZ-CD 4.41Å; F137-K155 HydrophobicContact CZ-CG 4.1Å; K155-L159 WeakPolarHBondContact O-CG 2.93Å; K155-L159 PolarHBondContact O-N 2.92Å |
| 156 | V | 98.3 | Very high | 93.3 | Very high | 80 Ų | 80 | 96.9 Ų | 96.9 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.5 | -45.3 | 179.4 | 175.4 | 0 | 0 | 0 | 0 | 111 | S154 L159 R160 | S154-V156 VanDerWaalsContact C-N 3.26Å; S154-V156 PolarHBondContact O-N 3.46Å; S154-V156 PolarHBondContact OG-N 3.4Å; V156-L159 PolarHBondContact O-N 3.37Å; V156-R160 HydrophobicContact CG1-CG 4.47Å; V156-R160 WeakPolarHBondContact O-CG 3.19Å; V156-R160 PolarHBondContact O-N 3.47Å |
| 157 | D | 96.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 97.8 Ų | 97.8 | 35% | 0.353 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.2 | -38.6 | -178.4 | -58.1 | -38.8 | 0 | 0 | 0 | 111.4 | S154 L159 R160 L161 | S154-D157 WeakPolarHBondContact CB-OD2 3.45Å; S154-D157 PolarHBondContact O-N 3.03Å; S154-D157 PolarHBondContact OG-N 3.27Å; S154-D157 VanDerWaalsContact OG-N 3.1Å; S154-D157 PolarHBondContact OG-OD2 2.96Å; D157-L159 VanDerWaalsContact C-N 3.31Å; D157-L159 PolarHBondContact O-N 3.04Å; D157-R160 PolarHBondContact O-N 3.02Å; D157-L161 WeakPolarHBondContact O-CB 3.48Å; D157-L161 WeakPolarHBondContact O-CG 3.43Å; D157-L161 PolarHBondContact O-N 3.5Å |
| 158 | T | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 97.3 Ų | 97.3 | 0% | 0 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -54.2 | -48.2 | 172.5 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | F137 L140 R141 I144 L153 S154 A162 | F137-T158 HydrophobicContact CD1-CG2 3.97Å; F137-T158 HydrophobicContact CE1-CG2 4.06Å; L140-T158 HydrophobicContact CB-CG2 4.44Å; L140-T158 HydrophobicContact CD2-CG2 3.85Å; L140-T158 HydrophobicContact CG-CG2 3.96Å; R141-T158 HydrophobicContact CG-CG2 3.7Å; R141-T158 PolarHBondContact NE-OG1 2.99Å; I144-T158 HydrophobicContact CD1-CG2 3.57Å; I144-T158 VanDerWaalsContact CD1-O 3.24Å; I144-T158 WeakPolarHBondContact CD1-O 3.33Å; L153-T158 WeakPolarHBondContact CB-OG1 3.49Å; S154-T158 WeakPolarHBondContact O-CB 3.29Å; S154-T158 PolarHBondContact O-N 3.01Å; S154-T158 PolarHBondContact O-OG1 2.99Å; T158-A162 VanDerWaalsContact O-CB 3.26Å; T158-A162 WeakPolarHBondContact O-CB 3.34Å; T158-A162 PolarHBondContact O-N 3.35Å |
| 159 | L | 98.6 | Very high | 95.2 | Very high | 86 Ų | 86 | 94.9 Ų | 94.9 | 45% | 0.45 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 179.3 | -67.3 | 175.1 | 0 | 0 | 0 | 112.4 | F137 L140 K155 V156 D157 I163 | F137-L159 HydrophobicContact CE1-CD2 4.37Å; F137-L159 HydrophobicContact CE1-CG 4.22Å; F137-L159 HydrophobicContact CZ-CD1 4.15Å; F137-L159 HydrophobicContact CZ-CD2 4.01Å; F137-L159 HydrophobicContact CZ-CG 3.95Å; L140-L159 HydrophobicContact CD2-CD2 4.28Å; K155-L159 WeakPolarHBondContact O-CG 2.93Å; K155-L159 PolarHBondContact O-N 2.92Å; V156-L159 PolarHBondContact O-N 3.37Å; D157-L159 VanDerWaalsContact C-N 3.31Å; D157-L159 PolarHBondContact O-N 3.04Å; L159-I163 WeakPolarHBondContact O-CD1 3.43Å; L159-I163 VanDerWaalsContact O-CG1 3.29Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 3.12Å; L159-I163 VanDerWaalsContact O-N 3.11Å |
| 160 | R | 98 | Very high | 96.2 | Very high | 172 Ų | 172 | 86 Ų | 86 | 65% | 0.649 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.2 | -47.5 | 178.7 | -73.4 | 174.8 | 174.5 | 169.8 | -3.2 | 111.9 | V156 D157 I163 G164 | V156-R160 HydrophobicContact CG1-CG 4.47Å; V156-R160 WeakPolarHBondContact O-CG 3.19Å; V156-R160 PolarHBondContact O-N 3.47Å; D157-R160 PolarHBondContact O-N 3.02Å; R160-I163 PolarHBondContact O-N 2.93Å; R160-G164 PolarHBondContact O-N 2.97Å |
| 161 | L | 97.7 | Very high | 96.7 | Very high | 80 Ų | 80 | 87 Ų | 87 | 42% | 0.419 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 179.5 | -71.7 | 172.4 | 0 | 0 | 0 | 111.5 | I144 L153 D157 I163 G164 Y165 | I144-L161 HydrophobicContact CD1-CB 4.22Å; I144-L161 HydrophobicContact CG2-CB 3.8Å; I144-L161 HydrophobicContact CG2-CD1 4.15Å; L153-L161 HydrophobicContact CD1-CD1 3.68Å; L153-L161 HydrophobicContact CD2-CD1 3.76Å; L153-L161 HydrophobicContact CG-CD1 4.37Å; D157-L161 WeakPolarHBondContact O-CB 3.48Å; D157-L161 WeakPolarHBondContact O-CG 3.43Å; D157-L161 PolarHBondContact O-N 3.5Å; L161-I163 PolarHBondContact O-N 3.1Å; L161-G164 PolarHBondContact O-N 2.9Å; L161-Y165 WeakPolarHBondContact O-CB 3.37Å; L161-Y165 PolarHBondContact O-N 3.32Å |
| 162 | A | 98.5 | Very high | 97.1 | Very high | 11 Ų | 11 | 81.6 Ų | 81.6 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L140 I144 T158 Y165 I166 | L140-A162 HydrophobicContact CD1-CB 3.92Å; L140-A162 HydrophobicContact CD2-CB 4.21Å; L140-A162 HydrophobicContact CG-CB 4.32Å; I144-A162 HydrophobicContact CD1-CB 4.26Å; I144-A162 HydrophobicContact CG1-CB 4.48Å; T158-A162 VanDerWaalsContact O-CB 3.26Å; T158-A162 WeakPolarHBondContact O-CB 3.34Å; T158-A162 PolarHBondContact O-N 3.35Å; A162-Y165 PolarHBondContact O-N 3.44Å; A162-I166 VanDerWaalsContact O-CG1 3.32Å; A162-I166 WeakPolarHBondContact O-CG1 3.41Å; A162-I166 PolarHBondContact O-N 2.8Å |
| 163 | I | 98.4 | Very high | 97.2 | Very high | 106 Ų | 106 | 77.5 Ų | 77.5 | 54% | 0.544 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 175.7 | -66.8 | 164.1 | 0 | 0 | 0 | 110.5 | L159 R160 L161 Y165 I166 N167 | L159-I163 WeakPolarHBondContact O-CD1 3.43Å; L159-I163 VanDerWaalsContact O-CG1 3.29Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 3.12Å; L159-I163 VanDerWaalsContact O-N 3.11Å; R160-I163 PolarHBondContact O-N 2.93Å; L161-I163 PolarHBondContact O-N 3.1Å; I163-Y165 VanDerWaalsContact C-N 3.3Å; I163-Y165 PolarHBondContact O-N 2.91Å; I163-I166 PolarHBondContact O-N 3.34Å; I163-N167 PolarHBondContact O-N 3.07Å; I163-N167 VanDerWaalsContact O-N 3.1Å; I163-N167 PolarHBondContact O-ND2 2.94Å |
| 164 | G | 97.9 | Very high | 97 | Very high | 39 Ų | 39 | 82.7 Ų | 82.7 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R160 L161 N167 F168 | R160-G164 PolarHBondContact O-N 2.97Å; L161-G164 PolarHBondContact O-N 2.9Å; G164-N167 PolarHBondContact O-N 3.09Å; G164-F168 WeakPolarHBondContact O-CB 3.24Å; G164-F168 PolarHBondContact O-N 3.38Å |
| 165 | Y | 98.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 84.1 Ų | 84.1 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | -179.4 | -172.5 | -132.7 | 0 | 0 | 0 | 112.5 | H143 P145 L161 A162 I163 N167 F168 L169 | H143-Y165 WeakPolarHBondContact O-CE1 3.47Å; P145-Y165 HydrophobicContact CG-CD1 4.4Å; P145-Y165 HydrophobicContact CG-CD2 3.75Å; P145-Y165 HydrophobicContact CG-CE1 4.32Å; P145-Y165 HydrophobicContact CG-CE2 3.68Å; P145-Y165 HydrophobicContact CG-CG 4.14Å; L161-Y165 WeakPolarHBondContact O-CB 3.37Å; L161-Y165 PolarHBondContact O-N 3.32Å; A162-Y165 PolarHBondContact O-N 3.44Å; I163-Y165 VanDerWaalsContact C-N 3.3Å; I163-Y165 PolarHBondContact O-N 2.91Å; Y165-N167 VanDerWaalsContact C-N 3.33Å; Y165-N167 PolarHBondContact O-N 3.3Å; Y165-F168 HydrophobicContact CD2-CD1 4.07Å; Y165-F168 HydrophobicContact CE2-CD1 4.11Å; Y165-F168 PolarHBondContact O-N 3.48Å; Y165-L169 HydrophobicContact CD1-CD1 4.17Å; Y165-L169 HydrophobicContact CD2-CD1 4.45Å; Y165-L169 HydrophobicContact CD2-CG 4.16Å; Y165-L169 HydrophobicContact CE1-CD1 3.74Å; Y165-L169 HydrophobicContact CE1-CG 4.42Å; Y165-L169 HydrophobicContact CE2-CD1 4.04Å; Y165-L169 HydrophobicContact CE2-CD2 3.84Å; Y165-L169 HydrophobicContact CE2-CG 3.81Å; Y165-L169 WeakPolarHBondContact O-CG 3.33Å; Y165-L169 PolarHBondContact O-N 2.92Å |
| 166 | I | 98.2 | Very high | 95.6 | Very high | 111 Ų | 111 | 84.9 Ų | 84.9 | 57% | 0.569 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58.3 | -46.8 | 172.7 | -68.6 | 165.5 | 0 | 0 | 0 | 110.5 | A162 I163 L169 A170 | A162-I166 VanDerWaalsContact O-CG1 3.32Å; A162-I166 WeakPolarHBondContact O-CG1 3.41Å; A162-I166 PolarHBondContact O-N 2.8Å; I163-I166 PolarHBondContact O-N 3.34Å; I166-L169 PolarHBondContact O-N 3.39Å; I166-A170 WeakPolarHBondContact O-CB 3.13Å; I166-A170 PolarHBondContact O-N 3.23Å |
| 167 | N | 97.9 | Very high | 93.9 | Very high | 86 Ų | 86 | 87 Ų | 87 | 46% | 0.46 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 178.9 | -67.5 | -19.1 | 0 | 0 | 0 | 111.7 | I163 G164 Y165 L169 A170 E171 | I163-N167 PolarHBondContact O-N 3.07Å; I163-N167 VanDerWaalsContact O-N 3.1Å; I163-N167 PolarHBondContact O-ND2 2.94Å; G164-N167 PolarHBondContact O-N 3.09Å; Y165-N167 VanDerWaalsContact C-N 3.33Å; Y165-N167 PolarHBondContact O-N 3.3Å; N167-L169 PolarHBondContact O-N 3.07Å; N167-A170 WeakPolarHBondContact O-CB 3.46Å; N167-A170 PolarHBondContact O-N 3.17Å; N167-E171 WeakPolarHBondContact O-CG 3.25Å; N167-E171 PolarHBondContact O-N 3.42Å |
| 168 | F | 96.7 | Very high | 92 | Very high | 117 Ų | 117 | 89 Ų | 89 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 176.8 | 170.8 | -102.9 | 0 | 0 | 0 | 112 | G164 Y165 A170 E171 L172 | G164-F168 WeakPolarHBondContact O-CB 3.24Å; G164-F168 PolarHBondContact O-N 3.38Å; Y165-F168 HydrophobicContact CD2-CD1 4.07Å; Y165-F168 HydrophobicContact CE2-CD1 4.11Å; Y165-F168 PolarHBondContact O-N 3.48Å; F168-A170 VanDerWaalsContact C-N 3.32Å; F168-A170 PolarHBondContact O-N 2.96Å; F168-E171 PolarHBondContact O-N 3.47Å; F168-L172 HydrophobicContact CE1-CD2 4.48Å; F168-L172 WeakPolarHBondContact O-CB 3.41Å; F168-L172 PolarHBondContact O-N 3.08Å |
| 169 | L | 96.6 | Very high | 90 | Very high | 66 Ų | 66 | 95.4 Ų | 95.4 | 35% | 0.346 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 176.6 | -67.9 | 178.8 | 0 | 0 | 0 | 111.8 | Y165 I166 N167 L172 V173 | Y165-L169 HydrophobicContact CD1-CD1 4.17Å; Y165-L169 HydrophobicContact CD2-CD1 4.45Å; Y165-L169 HydrophobicContact CD2-CG 4.16Å; Y165-L169 HydrophobicContact CE1-CD1 3.74Å; Y165-L169 HydrophobicContact CE1-CG 4.42Å; Y165-L169 HydrophobicContact CE2-CD1 4.04Å; Y165-L169 HydrophobicContact CE2-CD2 3.84Å; Y165-L169 HydrophobicContact CE2-CG 3.81Å; Y165-L169 WeakPolarHBondContact O-CG 3.33Å; Y165-L169 PolarHBondContact O-N 2.92Å; I166-L169 PolarHBondContact O-N 3.39Å; N167-L169 PolarHBondContact O-N 3.07Å; L169-L172 PolarHBondContact O-N 3.22Å; L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 3.43Å |
| 170 | A | 96.4 | Very high | 87.9 | Confident | 42 Ų | 42 | 102.4 Ų | 102.4 | 35% | 0.347 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I166 N167 F168 Q174 | I166-A170 WeakPolarHBondContact O-CB 3.13Å; I166-A170 PolarHBondContact O-N 3.23Å; N167-A170 WeakPolarHBondContact O-CB 3.46Å; N167-A170 PolarHBondContact O-N 3.17Å; F168-A170 VanDerWaalsContact C-N 3.32Å; F168-A170 PolarHBondContact O-N 2.96Å; A170-Q174 VanDerWaalsContact O-CG 3.25Å; A170-Q174 WeakPolarHBondContact O-CG 3.35Å; A170-Q174 PolarHBondContact O-N 3Å; A170-Q174 VanDerWaalsContact O-N 3.16Å; A170-Q174 PolarHBondContact O-NE2 2.98Å |
| 171 | E | 95.2 | Very high | 85.6 | Confident | 129 Ų | 129 | 100.4 Ų | 100.4 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.6 | -44.9 | 175.2 | -73.8 | 174.8 | -160.5 | 0 | 0 | 111.5 | N167 F168 V173 Q174 S175 | N167-E171 WeakPolarHBondContact O-CG 3.25Å; N167-E171 PolarHBondContact O-N 3.42Å; F168-E171 PolarHBondContact O-N 3.47Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.91Å; E171-Q174 WeakPolarHBondContact O-CB 3.38Å; E171-Q174 PolarHBondContact O-N 2.93Å; E171-Q174 VanDerWaalsContact O-N 3.09Å; E171-S175 PolarHBondContact O-N 3.18Å; E171-S175 PolarHBondContact O-OG 2.95Å |
| 172 | L | 95.2 | Very high | 83.1 | Confident | 71 Ų | 71 | 101.8 Ų | 101.8 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 177.8 | -177.8 | 64.3 | 0 | 0 | 0 | 111.8 | F168 L169 Q174 S175 D176 | F168-L172 HydrophobicContact CE1-CD2 4.48Å; F168-L172 WeakPolarHBondContact O-CB 3.41Å; F168-L172 PolarHBondContact O-N 3.08Å; L169-L172 PolarHBondContact O-N 3.22Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.15Å; L172-S175 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-OG 3.31Å; L172-D176 WeakPolarHBondContact O-CB 3.28Å; L172-D176 PolarHBondContact O-N 2.92Å |
| 173 | V | 94.9 | Very high | 80.8 | Confident | 95 Ų | 95 | 108.3 Ų | 108.3 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.4 | -35.1 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | L169 E171 M177 | L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 3.43Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.91Å; V173-M177 WeakPolarHBondContact O-CG 3.3Å; V173-M177 PolarHBondContact O-N 3.3Å |
| 174 | Q | 91.3 | Very high | 78.3 | Confident | 139 Ų | 139 | 108.8 Ų | 108.8 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.9 | -37.5 | 176.8 | -75.7 | 166.5 | 65.4 | 0 | 0 | 112.4 | A170 E171 L172 | A170-Q174 VanDerWaalsContact O-CG 3.25Å; A170-Q174 WeakPolarHBondContact O-CG 3.35Å; A170-Q174 PolarHBondContact O-N 3Å; A170-Q174 VanDerWaalsContact O-N 3.16Å; A170-Q174 PolarHBondContact O-NE2 2.98Å; E171-Q174 WeakPolarHBondContact O-CB 3.38Å; E171-Q174 PolarHBondContact O-N 2.93Å; E171-Q174 VanDerWaalsContact O-N 3.09Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.15Å |
| 175 | S | 87.3 | Confident | 76 | Confident | 85 Ų | 85 | 116.4 Ų | 116.4 | 59% | 0.594 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.6 | -33.4 | 177 | 60.1 | 0 | 0 | 0 | 0 | 113 | E171 L172 M177 | E171-S175 PolarHBondContact O-N 3.18Å; E171-S175 PolarHBondContact O-OG 2.95Å; L172-S175 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-OG 3.31Å; S175-M177 VanDerWaalsContact C-N 3.32Å |
| 176 | D | 76.6 | Confident | 73.6 | Confident | 120 Ų | 120 | 116 Ų | 116 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -81.2 | -10.9 | -179.1 | -73.3 | -7.2 | 0 | 0 | 0 | 113.2 | L172 P178 | L172-D176 WeakPolarHBondContact O-CB 3.28Å; L172-D176 PolarHBondContact O-N 2.92Å; D176-P178 WeakPolarHBondContact O-CD 3.42Å |
| 177 | M | 63.8 | Low | 71.2 | Confident | 124 Ų | 124 | 116.5 Ų | 116.5 | 61% | 0.611 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -77.9 | 118.1 | 171.2 | -82.4 | -68.5 | -74.2 | 0 | 0 | 109.9 | V173 S175 I179 | V173-M177 WeakPolarHBondContact O-CG 3.3Å; V173-M177 PolarHBondContact O-N 3.3Å; S175-M177 VanDerWaalsContact C-N 3.32Å; M177-I179 PolarHBondContact O-N 3.31Å |
| 178 | P | 56 | Low | 68.8 | Low | 108 Ų | 108 | 118.7 Ų | 118.7 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | trans | -61.8 | 113.7 | 174.1 | 25 | -31.2 | 0 | 0 | 0 | 108.3 | D176 R180 | D176-P178 WeakPolarHBondContact O-CD 3.42Å; P178-R180 PolarHBondContact O-N 3.11Å | ||
| 179 | I | 56.3 | Low | 66.7 | Low | 135 Ų | 135 | 120.7 Ų | 120.7 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | trans | -15.6 | 93.4 | 170.4 | -56.2 | 174.8 | 0 | 0 | 0 | 112.1 | M177 N181 | M177-I179 PolarHBondContact O-N 3.31Å; I179-N181 HydrophobicContact CG2-CB 4.2Å; I179-N181 WeakPolarHBondContact CG2-OD1 3.45Å; I179-N181 PolarHBondContact O-N 2.98Å | ||
| 180 | R | 54.5 | Low | 64.3 | Low | 232 Ų | 232 | 122.8 Ų | 122.8 | 88% | 0.875 | 68% | 0.682 | S | S | * | * | trans | -82 | 88.9 | 147.4 | -71.7 | -165.5 | 74.3 | -172 | 1.8 | 105.4 | P178 S182 | P178-R180 PolarHBondContact O-N 3.11Å; R180-S182 PolarHBondContact O-N 3.34Å; R180-S182 VanDerWaalsContact O-N 3.16Å | ||
| 181 | N | 49.4 | Very low | 62.2 | Low | 131 Ų | 131 | 129.9 Ų | 129.9 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -41.8 | 118.9 | 171 | -77.9 | -43.8 | 0 | 0 | 0 | 110.1 | I179 | I179-N181 HydrophobicContact CG2-CB 4.2Å; I179-N181 WeakPolarHBondContact CG2-OD1 3.45Å; I179-N181 PolarHBondContact O-N 2.98Å | ||
| 182 | S | 46.5 | Very low | 59.9 | Low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | -140 | 91.6 | 147.7 | 56.2 | 0 | 0 | 0 | 0 | 106.4 | R180 S184 | R180-S182 PolarHBondContact O-N 3.34Å; R180-S182 VanDerWaalsContact O-N 3.16Å; S182-S184 PolarHBondContact O-N 3Å | ||
| 183 | D | 49.3 | Very low | 57.8 | Low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -45.5 | 111.8 | 161.1 | -67.4 | -52 | 0 | 0 | 0 | 109 | ||||
| 184 | S | 46.8 | Very low | 55.8 | Low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | -163.1 | 75.8 | 156.3 | -79.7 | 0 | 0 | 0 | 0 | 107.8 | S182 A186 | S182-S184 PolarHBondContact O-N 3Å; S184-A186 PolarHBondContact O-N 3.11Å | ||
| 185 | E | 49 | Very low | 53.6 | Low | 199 Ų | 199 | 136.2 Ų | 136.2 | 93% | 0.93 | 74% | 0.737 | S | S | * | * | trans | -49.3 | 111.1 | 157.4 | -171 | -180 | -177.3 | 0 | 0 | 109.8 | ||||
| 186 | A | 48.2 | Very low | 51.5 | Low | 75 Ų | 75 | 137.4 Ų | 137.4 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | trans | -148.2 | 119.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S184 T188 | S184-A186 PolarHBondContact O-N 3.11Å; A186-T188 PolarHBondContact O-N 3.31Å | ||
| 187 | P | 47.5 | Very low | 49.9 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -68.7 | 105.7 | 174.4 | 27 | -30.1 | 0 | 0 | 0 | 108.3 | Q189 | P187-Q189 PolarHBondContact O-N 2.83Š| ||
| 188 | T | 46.9 | Very low | 48.8 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -66.3 | 95.2 | 173.3 | 43.2 | 0 | 0 | 0 | 0 | 109.2 | A186 | A186-T188 PolarHBondContact O-N 3.31Š| ||
| 189 | Q | 52.3 | Low | 48.3 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -48.9 | 138.5 | 161 | -70.5 | -80.8 | -16.6 | 0 | 0 | 109.1 | P187 K191 | P187-Q189 PolarHBondContact O-N 2.83Å; Q189-K191 PolarHBondContact O-N 3.14Å | ||
| 190 | P | 47.3 | Very low | 48.1 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -62.3 | 105.8 | 174.2 | 25.6 | -32.1 | 0 | 0 | 0 | 108.4 | K192 | P190-K192 PolarHBondContact O-N 2.82Š| ||
| 191 | K | 51 | Low | 48 | Very low | 192 Ų | 192 | 143 Ų | 143 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -63 | 101.3 | 175.2 | -70.3 | 176.8 | -178.4 | 173.1 | 0 | 107.8 | Q189 V193 | Q189-K191 PolarHBondContact O-N 3.14Å; K191-V193 PolarHBondContact O-N 2.89Å | ||
| 192 | K | 46.9 | Very low | 48.3 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -66.7 | 98.5 | 167.4 | -65.2 | 179.7 | -176.3 | 177.9 | 0 | 107.2 | P190 I194 | P190-K192 PolarHBondContact O-N 2.82Å; K192-I194 PolarHBondContact O-N 3.23Å | ||
| 193 | V | 52.3 | Low | 48.8 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | -75 | 102.9 | 172.3 | -174.7 | 0 | 0 | 0 | 0 | 107 | K191 I195 | K191-V193 PolarHBondContact O-N 2.89Å; V193-I195 HydrophobicContact CG1-CD1 4.27Å; V193-I195 HydrophobicContact CG1-CG1 3.6Å; V193-I195 PolarHBondContact O-N 2.94Å | ||
| 194 | I | 52.8 | Low | 49.3 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | trans | -84.9 | 99.9 | 167.7 | -54.9 | -178.8 | 0 | 0 | 0 | 106.5 | K192 C196 | K192-I194 PolarHBondContact O-N 3.23Å; I194-C196 VanDerWaalsContact CG2-SG 3.53Å; I194-C196 PolarHBondContact O-N 2.72Å | ||
| 195 | I | 45.5 | Very low | 50.1 | Low | 120 Ų | 120 | 134.8 Ų | 134.8 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | trans | -82 | 95 | 172.3 | -54 | -179.6 | 0 | 0 | 0 | 107.6 | V193 H197 | V193-I195 HydrophobicContact CG1-CD1 4.27Å; V193-I195 HydrophobicContact CG1-CG1 3.6Å; V193-I195 PolarHBondContact O-N 2.94Å; I195-H197 WeakPolarHBondContact CG2-NE2 3.32Å | ||
| 196 | C | 41.8 | Very low | 50.8 | Low | 110 Ų | 110 | 130 Ų | 130 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | -90 | 115.9 | 166.8 | -64.9 | 0 | 0 | 0 | 0 | 108.9 | I194 | I194-C196 VanDerWaalsContact CG2-SG 3.53Å; I194-C196 PolarHBondContact O-N 2.72Å | ||
| 197 | H | 44.7 | Very low | 51.7 | Low | 165 Ų | 165 | 130 Ų | 130 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | trans | -99.4 | 126 | 168.8 | -72.4 | -55.2 | 0 | 0 | 0 | 110.3 | I195 | I195-H197 WeakPolarHBondContact CG2-NE2 3.32Š| ||
| 198 | R | 39 | Very low | 52.8 | Low | 246 Ų | 246 | 130.1 Ų | 130.1 | 93% | 0.928 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 99.8 | 127.4 | 167.5 | -56.5 | 175.2 | 79.8 | 92.7 | -2.3 | 116.1 | ||
| 199 | G | 46.6 | Very low | 53.3 | Low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 70% | 0.703 | S | S | * | * | trans | 95 | 99.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R201 | G199-R201 PolarHBondContact O-N 2.74Š| ||
| 200 | T | 51.8 | Low | 53.6 | Low | 145 Ų | 145 | 128.3 Ų | 128.3 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | trans | -62.5 | 92.7 | 174.1 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 201 | R | 52.5 | Low | 54.4 | Low | 205 Ų | 205 | 126.6 Ų | 126.6 | 77% | 0.774 | 70% | 0.695 | S | S | * | * | trans | -172.5 | 134.3 | 143 | -119.8 | 174.5 | 172.8 | -92.9 | -0.1 | 110.3 | G199 | G199-R201 PolarHBondContact O-N 2.74Š| ||
| 202 | S | 55.2 | Low | 54.8 | Low | 98 Ų | 98 | 123.4 Ų | 123.4 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 130.3 | 162.1 | 45.4 | 0 | 0 | 0 | 0 | 108.8 | S204 | S202-S204 PolarHBondContact O-N 3.11Š|
| 203 | P | 57.3 | Low | 55.1 | Low | 92 Ų | 92 | 119.5 Ų | 119.5 | 60% | 0.597 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -61 | 130.1 | 179.9 | 25.2 | -32.6 | 0 | 0 | 0 | 109.4 | Y210 | P203-Y210 HydrophobicContact CB-CD2 3.89Å; P203-Y210 HydrophobicContact CB-CE2 3.91Å; P203-Y210 HydrophobicContact CG-CE2 4.24Å; P203-Y210 WeakPolarHBondContact O-CE2 3.16Å |
| 204 | S | 60.5 | Low | 55.2 | Low | 35 Ų | 35 | 119.9 Ų | 119.9 | 25% | 0.245 | 69% | 0.685 | C | S | . | * | P | Polyproline II helix | trans | -92.1 | 146.6 | 178.4 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | S202 S206 D207 Y210 | S202-S204 PolarHBondContact O-N 3.11Å; S204-S206 PolarHBondContact O-N 3.47Å; S204-S206 PolarHBondContact OG-OG 2.81Å; S204-D207 PolarHBondContact N-OD2 3.21Å; S204-D207 PolarHBondContact O-N 2.65Å; S204-Y210 WeakPolarHBondContact O-CD2 3.1Å |
| 205 | P | 63.5 | Low | 55.2 | Low | 107 Ų | 107 | 121.5 Ų | 121.5 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -4.7 | 173.4 | -20.6 | 31.5 | 0 | 0 | 0 | 114.7 | ||
| 206 | S | 63.1 | Low | 55.4 | Low | 99 Ų | 99 | 119.7 Ų | 119.7 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -11.7 | 179.4 | -18.8 | 0 | 0 | 0 | 0 | 113.3 | S204 | S204-S206 PolarHBondContact O-N 3.47Å; S204-S206 PolarHBondContact OG-OG 2.81Å |
| 207 | D | 67.8 | Low | 55.5 | Low | 73 Ų | 73 | 117.6 Ų | 117.6 | 39% | 0.39 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -77.4 | 134.2 | -177.4 | -65.9 | -38.5 | 0 | 0 | 0 | 109.6 | S204 D209 Y210 | S204-D207 PolarHBondContact N-OD2 3.21Å; S204-D207 PolarHBondContact O-N 2.65Å; D207-D209 PolarHBondContact O-N 3.45Å; D207-Y210 WeakPolarHBondContact O-CB 3.33Å; D207-Y210 PolarHBondContact O-N 3.01Å |
| 208 | P | 69.2 | Low | 55.7 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -14.7 | -177.5 | 23.4 | -32.1 | 0 | 0 | 0 | 113.7 | ||
| 209 | D | 57.6 | Low | 55.8 | Low | 118 Ų | 118 | 111 Ų | 111 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 11.7 | -179 | -55.1 | -36.4 | 0 | 0 | 0 | 113.1 | D207 G211 L212 | D207-D209 PolarHBondContact O-N 3.45Å; D209-G211 PolarHBondContact O-N 2.97Å; D209-L212 PolarHBondContact O-N 2.91Å |
| 210 | Y | 60.3 | Low | 55.8 | Low | 136 Ų | 136 | 115.6 Ų | 115.6 | 53% | 0.533 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.7 | 104.6 | -179.9 | -162.2 | -93 | 0 | 0 | 0 | 111.2 | P203 S204 D207 | P203-Y210 HydrophobicContact CB-CD2 3.89Å; P203-Y210 HydrophobicContact CB-CE2 3.91Å; P203-Y210 HydrophobicContact CG-CE2 4.24Å; P203-Y210 WeakPolarHBondContact O-CE2 3.16Å; S204-Y210 WeakPolarHBondContact O-CD2 3.1Å; D207-Y210 WeakPolarHBondContact O-CB 3.33Å; D207-Y210 PolarHBondContact O-N 3.01Å |
| 211 | G | 62.2 | Low | 55.6 | Low | 73 Ų | 73 | 112.6 Ų | 112.6 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.5 | -0.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D209 | D209-G211 PolarHBondContact O-N 2.97Š|
| 212 | L | 60.6 | Low | 55 | Low | 125 Ų | 125 | 114.3 Ų | 114.3 | 65% | 0.654 | 68% | 0.681 | S | S | * | * | trans | -82.7 | 135.1 | 172.4 | -64.2 | 178 | 0 | 0 | 0 | 110.7 | D209 | D209-L212 PolarHBondContact O-N 2.91Š| ||
| 213 | P | 53.4 | Low | 55 | Low | 106 Ų | 106 | 114.7 Ų | 114.7 | 69% | 0.688 | 68% | 0.679 | S | S | * | * | trans | -62.7 | 141.9 | 174.9 | 25.6 | -31.8 | 0 | 0 | 0 | 109.5 | L215 | P213-L215 PolarHBondContact O-N 2.84Š| ||
| 214 | P | 53.6 | Low | 54.6 | Low | 125 Ų | 125 | 115.9 Ų | 115.9 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | trans | -58 | 115.5 | 178.2 | -16.5 | 27.7 | 0 | 0 | 0 | 108 | A216 | P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 2.75Å | ||
| 215 | L | 54.2 | Low | 54.3 | Low | 176 Ų | 176 | 122.5 Ų | 122.5 | 92% | 0.921 | 71% | 0.708 | S | S | * | * | trans | -60 | 100.4 | 168.4 | -78.8 | 158.1 | 0 | 0 | 0 | 106 | P213 G217 | P213-L215 PolarHBondContact O-N 2.84Å; L215-G217 VanDerWaalsContact C-N 3.35Å; L215-G217 PolarHBondContact O-N 2.91Å | ||
| 216 | A | 48.3 | Very low | 53.7 | Low | 81 Ų | 81 | 126.7 Ų | 126.7 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | trans | -52.6 | 102.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | P214 H218 | P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 2.75Å; A216-H218 PolarHBondContact O-N 3.38Å | ||
| 217 | G | 44.6 | Very low | 53 | Low | 66 Ų | 66 | 127.7 Ų | 127.7 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | trans | -67.9 | 81.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L215 S219 | L215-G217 VanDerWaalsContact C-N 3.35Å; L215-G217 PolarHBondContact O-N 2.91Å; G217-S219 PolarHBondContact O-N 2.92Å | ||
| 218 | H | 48.8 | Very low | 52.3 | Low | 186 Ų | 186 | 130.5 Ų | 130.5 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -84.2 | 76.1 | 156.2 | -72.8 | -14.1 | 0 | 0 | 0 | 107.8 | A216 | A216-H218 PolarHBondContact O-N 3.38Š| ||
| 219 | S | 40.9 | Very low | 51.6 | Low | 87 Ų | 87 | 133.9 Ų | 133.9 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | trans | -123.1 | 85.4 | 172.5 | 42 | 0 | 0 | 0 | 0 | 109.8 | G217 S221 | G217-S219 PolarHBondContact O-N 2.92Å; S219-S221 PolarHBondContact O-N 2.96Å; S219-S221 VanDerWaalsContact O-N 3.11Å | ||
| 220 | L | 46.5 | Very low | 51.4 | Low | 170 Ų | 170 | 134.6 Ų | 134.6 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | trans | -77.3 | 70.2 | 153.3 | -68.2 | 177.8 | 0 | 0 | 0 | 108.2 | ||||
| 221 | S | 48.2 | Very low | 51.1 | Low | 82 Ų | 82 | 135.8 Ų | 135.8 | 57% | 0.573 | 74% | 0.739 | S | S | * | * | trans | -106.2 | 100.1 | 170.4 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | S219 T223 | S219-S221 PolarHBondContact O-N 2.96Å; S219-S221 VanDerWaalsContact O-N 3.11Å; S221-T223 PolarHBondContact O-N 2.8Å | ||
| 222 | W | 40.4 | Very low | 51 | Low | 242 Ų | 242 | 139.9 Ų | 139.9 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | trans | -80.6 | 105.7 | 165.1 | -64.7 | 97 | 0 | 0 | 0 | 108.1 | ||||
| 223 | T | 54.9 | Low | 51 | Low | 106 Ų | 106 | 138.4 Ų | 138.4 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | trans | -111.6 | 114.8 | 164.6 | 50.8 | 0 | 0 | 0 | 0 | 108.3 | S221 E225 | S221-T223 PolarHBondContact O-N 2.8Å; T223-E225 PolarHBondContact O-N 3.09Å | ||
| 224 | D | 48.8 | Very low | 51.8 | Low | 117 Ų | 117 | 139.9 Ų | 139.9 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | trans | -70.1 | 107.4 | 171.6 | -174 | -0.4 | 0 | 0 | 0 | 108.5 | K226 Q227 | D224-K226 PolarHBondContact O-N 3.37Å; D224-K226 VanDerWaalsContact O-N 3.11Å; D224-K226 PolarHBondContact OD1-N 3.06Å; D224-Q227 PolarHBondContact O-N 3.39Å | ||
| 225 | E | 53 | Low | 52.4 | Low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -61.8 | -17.8 | -172.6 | -158.6 | 178.2 | 176.6 | 0 | 0 | 112.7 | T223 Q227 | T223-E225 PolarHBondContact O-N 3.09Å; E225-Q227 VanDerWaalsContact C-N 3.34Å; E225-Q227 PolarHBondContact O-N 3.14Å |
| 226 | K | 50.8 | Low | 53.2 | Low | 194 Ų | 194 | 140.7 Ų | 140.7 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -79.7 | -6.2 | -175.7 | -64.6 | -166 | -178.9 | -163.2 | 0 | 115.3 | D224 | D224-K226 PolarHBondContact O-N 3.37Å; D224-K226 VanDerWaalsContact O-N 3.11Å; D224-K226 PolarHBondContact OD1-N 3.06Å |
| 227 | Q | 49.7 | Very low | 54.3 | Low | 120 Ų | 120 | 141 Ų | 141 | 56% | 0.561 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -104.5 | -3.7 | 179.2 | -82.2 | -157.3 | -6.4 | 0 | 0 | 115.7 | D224 E225 K229 | D224-Q227 PolarHBondContact O-N 3.39Å; E225-Q227 VanDerWaalsContact C-N 3.34Å; E225-Q227 PolarHBondContact O-N 3.14Å; Q227-K229 VanDerWaalsContact C-N 3.33Å; Q227-K229 PolarHBondContact O-N 3.39Å |
| 228 | L | 51.6 | Low | 55.2 | Low | 132 Ų | 132 | 148 Ų | 148 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 0.5 | -171.3 | -101.8 | 150.1 | 0 | 0 | 0 | 115.4 | ||
| 229 | K | 55.3 | Low | 56.7 | Low | 196 Ų | 196 | 145 Ų | 145 | 85% | 0.852 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -26.1 | 178.2 | -89.2 | -175.5 | 174.7 | -171.4 | 0 | 114.1 | Q227 | Q227-K229 VanDerWaalsContact C-N 3.33Å; Q227-K229 PolarHBondContact O-N 3.39Å |
| 230 | D | 54 | Low | 58.1 | Low | 133 Ų | 133 | 151 Ų | 151 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -135.2 | 110.3 | -179.6 | -62.9 | -49 | 0 | 0 | 0 | 110.4 | ||
| 231 | Q | 52.5 | Low | 59.6 | Low | 161 Ų | 161 | 148 Ų | 148 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | 106.7 | 125.9 | 165.1 | -50.4 | -157.6 | 8.9 | 0 | 0 | 116.8 | I233 | Q231-I233 HydrophobicContact CB-CD1 4.41Å; Q231-I233 HydrophobicContact CB-CG1 3.95Å; Q231-I233 PolarHBondContact O-N 3.06Å | ||
| 232 | N | 60.8 | Low | 60.6 | Low | 158 Ų | 158 | 148.4 Ų | 148.4 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -68.6 | 71.1 | 170.4 | -157.6 | 43.6 | 0 | 0 | 0 | 109.6 | I234 | N232-I234 PolarHBondContact O-N 3.19Š| ||
| 233 | I | 61.1 | Low | 62.2 | Low | 94 Ų | 94 | 145.5 Ų | 145.5 | 48% | 0.482 | 73% | 0.731 | S | S | . | * | trans | -84.3 | 97.5 | -179.8 | -57.5 | 172.7 | 0 | 0 | 0 | 108.3 | Q231 R235 | Q231-I233 HydrophobicContact CB-CD1 4.41Å; Q231-I233 HydrophobicContact CB-CG1 3.95Å; Q231-I233 PolarHBondContact O-N 3.06Å; I233-R235 HydrophobicContact CG2-CG 3.82Å; I233-R235 PolarHBondContact O-N 3Å; I233-R235 VanDerWaalsContact O-N 3.12Å | ||
| 234 | I | 70.7 | Confident | 63.1 | Low | 138 Ų | 138 | 143.2 Ų | 143.2 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | trans | -68.5 | 108.3 | 168.6 | -57.9 | 175 | 0 | 0 | 0 | 107.8 | N232 T236 | N232-I234 PolarHBondContact O-N 3.19Å; I234-T236 HydrophobicContact CG2-CG2 4.29Å | ||
| 235 | R | 64.6 | Low | 63.9 | Low | 183 Ų | 183 | 143.8 Ų | 143.8 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -99.4 | 107.8 | 170.5 | -64.3 | -171.9 | 179.1 | 154.6 | 4.2 | 108.8 | I233 | I233-R235 HydrophobicContact CG2-CG 3.82Å; I233-R235 PolarHBondContact O-N 3Å; I233-R235 VanDerWaalsContact O-N 3.12Å | ||
| 236 | T | 72.6 | Confident | 64.7 | Low | 134 Ų | 134 | 145 Ų | 145 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | trans | -87.8 | 119.9 | 172.6 | 36.1 | 0 | 0 | 0 | 0 | 110 | I234 | I234-T236 HydrophobicContact CG2-CG2 4.29Š| ||
| 237 | A | 69.9 | Low | 65.3 | Low | 89 Ų | 89 | 144 Ų | 144 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -92.6 | 136.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V239 | A237-V239 PolarHBondContact O-N 3.32Š| ||
| 238 | K | 64.2 | Low | 65.5 | Low | 212 Ų | 212 | 145.2 Ų | 145.2 | 92% | 0.922 | 73% | 0.727 | S | S | * | * | trans | -74.9 | 105.4 | 168 | -77.1 | -174.7 | 168.5 | -179.4 | 0 | 108.2 | W240 | K238-W240 PolarHBondContact O-N 3.39Š| ||
| 239 | V | 80.8 | Confident | 65.7 | Low | 123 Ų | 123 | 146.2 Ų | 146.2 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | trans | -69.9 | 117.1 | 168.6 | -178.9 | 0 | 0 | 0 | 0 | 107 | A237 T241 | A237-V239 PolarHBondContact O-N 3.32Å; V239-T241 HydrophobicContact CG1-CG2 4.2Å; V239-T241 PolarHBondContact O-N 3.41Å | ||
| 240 | W | 69.1 | Low | 65.6 | Low | 212 Ų | 212 | 144.5 Ų | 144.5 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | trans | -80 | 112.4 | 171.4 | -176.8 | 82.9 | 0 | 0 | 0 | 108.4 | K238 P242 | K238-W240 PolarHBondContact O-N 3.39Å; W240-P242 HydrophobicContact CE3-CG 4.13Å; W240-P242 HydrophobicContact CH2-CB 3.58Å; W240-P242 HydrophobicContact CH2-CG 3.75Å; W240-P242 HydrophobicContact CZ2-CB 4.18Å; W240-P242 HydrophobicContact CZ3-CB 3.86Å; W240-P242 HydrophobicContact CZ3-CG 3.45Å; W240-P242 VanDerWaalsContact CZ3-CG 3.45Å | ||
| 241 | T | 77.8 | Confident | 65.4 | Low | 108 Ų | 108 | 147.2 Ų | 147.2 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 120 | 169.5 | 50.9 | 0 | 0 | 0 | 0 | 108 | V239 E243 | V239-T241 HydrophobicContact CG1-CG2 4.2Å; V239-T241 PolarHBondContact O-N 3.41Å; T241-E243 PolarHBondContact O-N 3.09Å |
| 242 | P | 70.8 | Confident | 65 | Low | 90 Ų | 90 | 145.7 Ų | 145.7 | 58% | 0.584 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 135.8 | 175 | -5 | 6.8 | 0 | 0 | 0 | 110.4 | W240 D244 | W240-P242 HydrophobicContact CE3-CG 4.13Å; W240-P242 HydrophobicContact CH2-CB 3.58Å; W240-P242 HydrophobicContact CH2-CG 3.75Å; W240-P242 HydrophobicContact CZ2-CB 4.18Å; W240-P242 HydrophobicContact CZ3-CB 3.86Å; W240-P242 HydrophobicContact CZ3-CG 3.45Å; W240-P242 VanDerWaalsContact CZ3-CG 3.45Å; P242-D244 PolarHBondContact O-N 3.05Å |
| 243 | E | 73.3 | Confident | 64.1 | Low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -70 | 123.3 | 178.4 | -166.6 | 160 | -164.2 | 0 | 0 | 109.5 | T241 P245 | T241-E243 PolarHBondContact O-N 3.09Å; E243-P245 VanDerWaalsContact O-CD 3.31Å; E243-P245 WeakPolarHBondContact O-CD 3.31Å |
| 244 | D | 73.3 | Confident | 63.6 | Low | 58 Ų | 58 | 146.4 Ų | 146.4 | 31% | 0.31 | 75% | 0.746 | S | S | . | * | trans | -72.7 | 116 | 178.7 | -173.3 | -23.8 | 0 | 0 | 0 | 108.7 | P242 R246 K247 | P242-D244 PolarHBondContact O-N 3.05Å; D244-R246 PolarHBondContact O-N 2.91Å; D244-R246 WeakPolarHBondContact OD1-CB 3.43Å; D244-R246 IonicContact OD1-CZ 2.73Å; D244-R246 PolarHBondContact OD1-N 3.37Å; D244-R246 IonicContact OD1-NE 2.95Å; D244-R246 PolarHBondContact OD1-NE 3.12Å; D244-R246 VanDerWaalsContact OD1-NE 3.14Å; D244-R246 IonicContact OD1-NH2 3.25Å; D244-R246 IonicContact OD2-CZ 2.79Å; D244-R246 IonicContact OD2-NE 2.84Å; D244-R246 IonicContact OD2-NH2 3.46Å; D244-R246 PolarHBondContact OD2-NH2 2.84Å; D244-R246 VanDerWaalsContact OD2-NH2 3.09Å; D244-K247 HydrophobicContact CB-CG 4.37Å; D244-K247 PolarHBondContact O-N 3.22Å; D244-K247 VanDerWaalsContact O-N 3.09Å | ||
| 245 | P | 66.5 | Low | 62.3 | Low | 128 Ų | 128 | 147.2 Ų | 147.2 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -3.5 | -176.1 | 26.3 | -34.8 | 0 | 0 | 0 | 114 | E243 | E243-P245 VanDerWaalsContact O-CD 3.31Å; E243-P245 WeakPolarHBondContact O-CD 3.31Å |
| 246 | R | 68.9 | Low | 61.5 | Low | 200 Ų | 200 | 146 Ų | 146 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -3.4 | 177 | -62.2 | 172.8 | -67.3 | 169 | 3 | 114.1 | D244 L248 | D244-R246 PolarHBondContact O-N 2.91Å; D244-R246 WeakPolarHBondContact OD1-CB 3.43Å; D244-R246 IonicContact OD1-CZ 2.73Å; D244-R246 PolarHBondContact OD1-N 3.37Å; D244-R246 IonicContact OD1-NE 2.95Å; D244-R246 PolarHBondContact OD1-NE 3.12Å; D244-R246 VanDerWaalsContact OD1-NE 3.14Å; D244-R246 IonicContact OD1-NH2 3.25Å; D244-R246 IonicContact OD2-CZ 2.79Å; D244-R246 IonicContact OD2-NE 2.84Å; D244-R246 IonicContact OD2-NH2 3.46Å; D244-R246 PolarHBondContact OD2-NH2 2.84Å; D244-R246 VanDerWaalsContact OD2-NH2 3.09Å; R246-L248 PolarHBondContact O-N 2.84Å |
| 247 | K | 64.3 | Low | 60.5 | Low | 174 Ų | 174 | 147.3 Ų | 147.3 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | -80.7 | 102.4 | 176.5 | -74.2 | -171 | 178.5 | -175.9 | 0 | 110.4 | D244 | D244-K247 HydrophobicContact CB-CG 4.37Å; D244-K247 PolarHBondContact O-N 3.22Å; D244-K247 VanDerWaalsContact O-N 3.09Å | ||
| 248 | L | 54.3 | Low | 59.5 | Low | 144 Ų | 144 | 151.4 Ų | 151.4 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -59.1 | 138.1 | 169 | -67.2 | 171.9 | 0 | 0 | 0 | 110.5 | R246 M250 | R246-L248 PolarHBondContact O-N 2.84Å; L248-M250 PolarHBondContact O-N 3.26Å | ||
| 249 | H | 55.9 | Low | 58.2 | Low | 154 Ų | 154 | 149.2 Ų | 149.2 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -62.1 | 75 | -172.1 | 57.9 | 74.4 | 0 | 0 | 0 | 114.8 | K251 | H249-K251 PolarHBondContact O-N 3.28Š| ||
| 250 | M | 52.4 | Low | 56.7 | Low | 159 Ų | 159 | 152.1 Ų | 152.1 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -82.5 | 107.2 | 165.9 | -65 | -61.5 | 116.1 | 0 | 0 | 108.9 | L248 | L248-M250 PolarHBondContact O-N 3.26Š| ||
| 251 | K | 49 | Very low | 55.6 | Low | 190 Ų | 190 | 146.4 Ų | 146.4 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -48.7 | 133.3 | 176 | -65 | 174.2 | 178 | 175.8 | 0 | 110 | H249 S253 | H249-K251 PolarHBondContact O-N 3.28Å; K251-S253 PolarHBondContact O-N 3.48Å | ||
| 252 | P | 45.2 | Very low | 54.8 | Low | 129 Ų | 129 | 146.7 Ų | 146.7 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -77.3 | 110.1 | 176.8 | 29.3 | -29.2 | 0 | 0 | 0 | 109.3 | L254 | P252-L254 PolarHBondContact O-N 3.19Š| ||
| 253 | S | 40.6 | Very low | 53.6 | Low | 101 Ų | 101 | 152 Ų | 152 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -65.7 | 125.3 | 158.3 | 46.2 | 0 | 0 | 0 | 0 | 108.4 | K251 N255 | K251-S253 PolarHBondContact O-N 3.48Å; S253-N255 PolarHBondContact O-N 2.96Å | ||
| 254 | L | 51.7 | Low | 52.4 | Low | 167 Ų | 167 | 148 Ų | 148 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -49.3 | 102.2 | 167.8 | -79.2 | 163.6 | 0 | 0 | 0 | 110.2 | P252 | P252-L254 PolarHBondContact O-N 3.19Š| ||
| 255 | N | 42.6 | Very low | 50.9 | Low | 154 Ų | 154 | 152.8 Ų | 152.8 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -137.2 | 81.6 | 158.6 | -80.2 | -22.7 | 0 | 0 | 0 | 106.7 | S253 | S253-N255 PolarHBondContact O-N 2.96Š| ||
| 256 | N | 47.5 | Very low | 49.9 | Very low | 158 Ų | 158 | 156.4 Ų | 156.4 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -118.9 | 70.9 | 171.1 | -149 | 11.2 | 0 | 0 | 0 | 106.2 | ||||
| 257 | I | 51.9 | Low | 49 | Very low | 162 Ų | 162 | 154.3 Ų | 154.3 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -148.7 | 99 | 168.7 | -92.3 | 126.8 | 0 | 0 | 0 | 105.7 | ||||
| 258 | E | 49.9 | Very low | 48.2 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -177.5 | 109.1 | 136.2 | -110.6 | 178.5 | 159.9 | 0 | 0 | 106.8 | ||||
| 259 | N | 37.2 | Very low | 47.8 | Very low | 167 Ų | 167 | 153.7 Ų | 153.7 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | 178.5 | 70.9 | 144.4 | -84.5 | -36.3 | 0 | 0 | 0 | 108.1 | ||||
| 260 | E | 47.9 | Very low | 47.3 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -91 | 130.9 | 162.4 | -92.8 | -78.2 | 150.6 | 0 | 0 | 108.5 | ||
| 261 | P | 47.4 | Very low | 47 | Very low | 91 Ų | 91 | 153.4 Ų | 153.4 | 59% | 0.591 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 148.4 | 164.1 | 34.4 | -28.5 | 0 | 0 | 0 | 111 | ||
| 262 | P | 60.6 | Low | 46.9 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 74% | 0.74 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 129.7 | -171.6 | 34.2 | -29.8 | 0 | 0 | 0 | 111.1 | ||
| 263 | F | 45.6 | Very low | 47 | Very low | 201 Ų | 201 | 152.5 Ų | 152.5 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | trans | -138.2 | 116.9 | 154 | -73.4 | -71.1 | 0 | 0 | 0 | 111.8 | ||||
| 264 | S | 47.6 | Very low | 47.5 | Very low | 98 Ų | 98 | 156.5 Ų | 156.5 | 69% | 0.685 | 84% | 0.841 | S | S | * | * | trans | -72.3 | 168 | 168.3 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 265 | L | 40.8 | Very low | 47.1 | Very low | 159 Ų | 159 | 155.6 Ų | 155.6 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | 90.6 | 123.5 | 167.6 | -57.4 | 156.4 | 0 | 0 | 0 | 112.9 | ||||
| 266 | T | 46.7 | Very low | 47.6 | Very low | 205 Ų | 205 | 155.7 Ų | 155.7 | 100% | 1.258 | 84% | 0.839 | S | S | * | * | cis | -154.8 | 0 | 25.5 | -34.3 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 266 of 266 residues in 87.8 ms
(Link to these results)