| 1 | M | 43.9 | Very low | 55.3 | Low | 249 Ų | 249 | 164.9 Ų | 164.9 | 100% | 1.227 | 86% | 0.855 | S | S | * | * | | | | 0 | 124.6 | 0 | -70 | 174.2 | -167.1 | 0 | 0 | 107.5 | | |
| 2 | K | 48.9 | Very low | 55.2 | Low | 208 Ų | 208 | 162.4 Ų | 162.4 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | | | trans | -97 | 116.9 | 179.9 | -71.8 | 178.2 | 175.5 | 180 | 0 | 108.8 | | |
| 3 | S | 59.8 | Low | 54.7 | Low | 114 Ų | 114 | 162.2 Ų | 162.2 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | | | trans | -89.1 | 118.2 | 170.2 | 50 | 0 | 0 | 0 | 0 | 109.9 | | |
| 4 | I | 59 | Low | 54.4 | Low | 152 Ų | 152 | 167 Ų | 167 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | | | trans | -90.3 | 106.2 | 176.8 | -60 | 163.2 | 0 | 0 | 0 | 106.9 | | |
| 5 | L | 63.9 | Low | 54.5 | Low | 153 Ų | 153 | 162.8 Ų | 162.8 | 80% | 0.801 | 83% | 0.829 | S | S | * | * | | | trans | -95.4 | 115.7 | 168.8 | -88.4 | 152.7 | 0 | 0 | 0 | 109.1 | | |
| 6 | K | 61.9 | Low | 54 | Low | 184 Ų | 184 | 163 Ų | 163 | 80% | 0.8 | 83% | 0.833 | S | S | * | * | | | trans | -111.8 | 91 | -172 | -164.9 | 168.6 | -171.3 | 172.5 | 0 | 107.6 | | |
| 7 | N | 61.7 | Low | 53.6 | Low | 150 Ų | 150 | 160.1 Ų | 160.1 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | | | trans | -94.5 | 120.7 | 175 | -77 | -18.7 | 0 | 0 | 0 | 110.4 | | |
| 8 | R | 54.4 | Low | 53.7 | Low | 241 Ų | 241 | 160.4 Ų | 160.4 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | | | trans | -74.6 | 119.3 | -176.8 | -64.5 | 173.2 | -167.4 | 169.2 | 3.5 | 109.6 | A10 | R8-A10 PolarHBondContact O-N 3.4Š|
| 9 | C | 48.6 | Very low | 53.2 | Low | 130 Ų | 130 | 159.1 Ų | 159.1 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | | | trans | -70.1 | 113.4 | 162.4 | -68.7 | 0 | 0 | 0 | 0 | 109.3 | N11 | C9-N11 PolarHBondContact O-N 2.79Š|
| 10 | A | 51.9 | Low | 53.2 | Low | 91 Ų | 91 | 156.9 Ų | 156.9 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | | | trans | -73.4 | 109.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | R8 I12 | R8-A10 PolarHBondContact O-N 3.4Å; A10-I12 PolarHBondContact O-N 3.28Å |
| 11 | N | 54.7 | Low | 53 | Low | 142 Ų | 142 | 158.1 Ų | 158.1 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | | | trans | -76.9 | 102.2 | 175.6 | -163.6 | -0.4 | 0 | 0 | 0 | 108.7 | C9 Q13 | C9-N11 PolarHBondContact O-N 2.79Å; N11-Q13 PolarHBondContact O-N 3.17Å |
| 12 | I | 53.6 | Low | 53.4 | Low | 135 Ų | 135 | 155 Ų | 155 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -90.5 | 91.6 | 174.7 | -58.1 | 176.9 | 0 | 0 | 0 | 107.9 | A10 R14 | A10-I12 PolarHBondContact O-N 3.28Å; I12-R14 HydrophobicContact CG2-CG 4.24Å; I12-R14 PolarHBondContact O-N 2.76Å |
| 13 | Q | 48.8 | Very low | 53.4 | Low | 160 Ų | 160 | 153.6 Ų | 153.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -63.9 | 120.7 | 162.5 | -76.8 | 179.7 | -23.3 | 0 | 0 | 108.9 | N11 | N11-Q13 PolarHBondContact O-N 3.17Š|
| 14 | R | 50.7 | Low | 52.8 | Low | 229 Ų | 229 | 154.1 Ų | 154.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -105.3 | 99.2 | 165.1 | -71 | -175 | 177.7 | 171.9 | -0.2 | 108.4 | I12 | I12-R14 HydrophobicContact CG2-CG 4.24Å; I12-R14 PolarHBondContact O-N 2.76Å |
| 15 | S | 56 | Low | 52.5 | Low | 104 Ų | 104 | 153.5 Ų | 153.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -82.1 | 125.6 | 171.3 | -36.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 16 | N | 45.7 | Very low | 51.8 | Low | 166 Ų | 166 | 155 Ų | 155 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | | | trans | -110.3 | 108.6 | 166.3 | -78.9 | -13.5 | 0 | 0 | 0 | 108.7 | | |
| 17 | S | 48 | Very low | 51.3 | Low | 114 Ų | 114 | 151.3 Ų | 151.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -148.7 | 117.4 | 158.1 | 72.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 18 | L | 54.8 | Low | 50.8 | Low | 166 Ų | 166 | 150.2 Ų | 150.2 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -123 | 100.6 | 164.8 | -106.3 | 159.3 | 0 | 0 | 0 | 106.6 | T20 | L18-T20 HydrophobicContact CD2-CG2 4Š|
| 19 | D | 45.2 | Very low | 50.8 | Low | 135 Ų | 135 | 146.6 Ų | 146.6 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -96.3 | 119.7 | 167.1 | -170.3 | 11.3 | 0 | 0 | 0 | 106.3 | | |
| 20 | T | 52.6 | Low | 51 | Low | 115 Ų | 115 | 147.7 Ų | 147.7 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -134.8 | 85 | 173.7 | 57.7 | 0 | 0 | 0 | 0 | 109.5 | L18 | L18-T20 HydrophobicContact CD2-CG2 4Š|
| 21 | K | 48.2 | Very low | 50.8 | Low | 183 Ų | 183 | 151.3 Ų | 151.3 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | trans | -85.4 | 108.1 | 155.1 | -68.3 | -178.9 | -179 | 175.7 | 0 | 108.1 | | |
| 22 | H | 52.5 | Low | 50.8 | Low | 182 Ų | 182 | 151.2 Ų | 151.2 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -136.6 | 105.6 | 158.2 | -87.1 | -66.7 | 0 | 0 | 0 | 109.5 | | |
| 23 | Q | 48.5 | Very low | 50.9 | Low | 179 Ų | 179 | 150.5 Ų | 150.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -70.4 | 141.3 | 153.2 | -69.9 | 172.6 | -26.2 | 0 | 0 | 108.3 | | |
| 24 | T | 49.2 | Very low | 50.9 | Low | 126 Ų | 126 | 148.9 Ų | 148.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | 169.3 | 108.4 | 133.7 | 38.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 25 | N | 51.1 | Low | 51.1 | Low | 139 Ų | 139 | 145.5 Ų | 145.5 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | | 30.5 | 122.2 | 126.6 | -48.9 | -12.6 | 0 | 0 | 0 | 117.5 | | |
| 26 | E | 50.9 | Low | 50.7 | Low | 185 Ų | 185 | 150.5 Ų | 150.5 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | | 74.5 | 120.9 | 98.1 | -157.8 | 172.6 | -147 | 0 | 0 | 110.2 | | |
| 27 | S | 51.3 | Low | 51.1 | Low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | cis | -166.6 | 155 | 37.6 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 28 | V | 49.5 | Very low | 51 | Low | 126 Ų | 126 | 151 Ų | 151 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | -3.9 | 131.4 | 145.1 | -171.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 29 | D | 55.4 | Low | 50.7 | Low | 165 Ų | 165 | 146.9 Ų | 146.9 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | | | | -159.1 | 139.8 | 129.4 | -136.5 | -10.1 | 0 | 0 | 0 | 110.5 | | |
| 30 | E | 52.5 | Low | 51 | Low | 153 Ų | 153 | 148 Ų | 148 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | | | trans | -98.5 | 161.4 | -168.3 | -57.6 | -142 | 153.3 | 0 | 0 | 114.1 | | |
| 31 | E | 48.4 | Very low | 50.8 | Low | 168 Ų | 168 | 151.3 Ų | 151.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | 61.7 | 91.7 | 161.6 | -53.9 | -58.2 | 155.3 | 0 | 0 | 117.4 | | |
| 32 | D | 54.9 | Low | 51.2 | Low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | trans | -154 | 120.9 | 147.4 | -146.3 | 9 | 0 | 0 | 0 | 111.4 | | |
| 33 | D | 55 | Low | 51.6 | Low | 120 Ų | 120 | 146.9 Ų | 146.9 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | | | trans | 58.3 | 112.5 | 142.2 | -73.8 | -12.4 | 0 | 0 | 0 | 121.7 | | |
| 34 | N | 48.9 | Very low | 52.2 | Low | 125 Ų | 125 | 144.2 Ų | 144.2 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | S | Bend | | 64.2 | 126 | 126 | -58 | -48.2 | 0 | 0 | 0 | 119.1 | R36 | N34-R36 PolarHBondContact O-N 2.92Š|
| 35 | D | 54.4 | Low | 53.1 | Low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | | | trans | 64.7 | 29.2 | 157.1 | -55.6 | -24.4 | 0 | 0 | 0 | 118.4 | I37 | D35-I37 PolarHBondContact O-N 3.11Š|
| 36 | R | 48.1 | Very low | 53.6 | Low | 208 Ų | 208 | 148.1 Ų | 148.1 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | -77.1 | 92.7 | 171.4 | -168.3 | 164.1 | 156.2 | -173.5 | -13.5 | 110.7 | N34 E38 | N34-R36 PolarHBondContact O-N 2.92Å; R36-E38 HydrophobicContact CG-CG 4.36Å; R36-E38 IonicContact NH2-OE1 3.88Å; R36-E38 PolarHBondContact O-N 2.92Å |
| 37 | I | 53.4 | Low | 54.3 | Low | 158 Ų | 158 | 142 Ų | 142 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | | | trans | -52.3 | 94.6 | 155.2 | -61.6 | 169.3 | 0 | 0 | 0 | 106.5 | D35 A39 | D35-I37 PolarHBondContact O-N 3.11Å; I37-A39 PolarHBondContact O-N 2.79Å |
| 38 | E | 46.3 | Very low | 55.1 | Low | 134 Ų | 134 | 144 Ų | 144 | 63% | 0.626 | 71% | 0.712 | S | S | * | * | | | trans | -68.9 | 86.6 | 166.4 | -77.4 | -156.4 | 138.9 | 0 | 0 | 107.4 | R36 E40 | R36-E38 HydrophobicContact CG-CG 4.36Å; R36-E38 IonicContact NH2-OE1 3.88Å; R36-E38 PolarHBondContact O-N 2.92Å; E38-E40 PolarHBondContact O-N 2.93Å |
| 39 | A | 49.1 | Very low | 56.1 | Low | 79 Ų | 79 | 142.8 Ų | 142.8 | 65% | 0.653 | 70% | 0.701 | S | S | * | * | | | trans | -59.5 | 80.9 | 139.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | I37 K41 | I37-A39 PolarHBondContact O-N 2.79Å; A39-K41 PolarHBondContact O-N 3.26Å |
| 40 | E | 50.3 | Low | 57.1 | Low | 157 Ų | 157 | 143.5 Ų | 143.5 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | | | trans | -53.8 | 93.5 | 154.5 | -92.3 | -164.8 | 136 | 0 | 0 | 105.1 | E38 S42 | E38-E40 PolarHBondContact O-N 2.93Å; E40-S42 PolarHBondContact O-N 3.07Å |
| 41 | K | 49.7 | Very low | 58.2 | Low | 185 Ų | 185 | 138 Ų | 138 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | | | trans | -61.8 | 83.6 | 157.7 | -68.2 | 178.1 | -179 | 174.9 | 0 | 103.9 | A39 K43 | A39-K41 PolarHBondContact O-N 3.26Å; K41-K43 PolarHBondContact O-N 3.22Å |
| 42 | S | 55.8 | Low | 59.9 | Low | 91 Ų | 91 | 139 Ų | 139 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | | | trans | -52.4 | 98.2 | 163 | 26 | 0 | 0 | 0 | 0 | 104.4 | E40 K44 | E40-S42 PolarHBondContact O-N 3.07Å; S42-K44 PolarHBondContact O-N 2.8Å |
| 43 | K | 61.4 | Low | 61.1 | Low | 182 Ų | 182 | 138.5 Ų | 138.5 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | | | trans | -64.8 | 89.3 | 174.5 | -71.1 | 176.1 | -177.5 | 172.5 | 0 | 103.7 | K41 K45 | K41-K43 PolarHBondContact O-N 3.22Å; K43-K45 PolarHBondContact O-N 2.95Å |
| 44 | K | 60.9 | Low | 62.1 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 53% | 0.53 | 66% | 0.657 | S | S | . | * | | | trans | -57.3 | 92 | 174.9 | -70 | -172.9 | 174.6 | -163.3 | 0 | 106.9 | S42 R46 D64 | S42-K44 PolarHBondContact O-N 2.8Å; K44-R46 PolarHBondContact O-N 3.04Å; K44-D64 WeakPolarHBondContact CE-OD2 3.47Å; K44-D64 IonicContact NZ-OD2 2.64Å; K44-D64 PolarHBondContact NZ-OD2 2.97Å |
| 45 | K | 67.1 | Low | 63.5 | Low | 191 Ų | 191 | 132.4 Ų | 132.4 | 83% | 0.83 | 65% | 0.647 | S | S | * | * | | | trans | -76.5 | 106.2 | 173 | -73.3 | -178.4 | -179.4 | 176.7 | 0 | 105 | K43 A47 | K43-K45 PolarHBondContact O-N 2.95Å; K45-A47 PolarHBondContact O-N 3.03Å |
| 46 | R | 62.7 | Low | 64.5 | Low | 157 Ų | 157 | 128.1 Ų | 128.1 | 59% | 0.592 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 120.9 | 163.6 | -83.6 | -179.6 | 161.6 | -161.9 | -7.1 | 107.4 | K44 F48 L61 | K44-R46 PolarHBondContact O-N 3.04Å; R46-F48 PolarHBondContact O-N 3.2Å; R46-L61 HydrophobicContact CG-CD1 4.47Å |
| 47 | A | 66.2 | Low | 65.4 | Low | 57 Ų | 57 | 125.5 Ų | 125.5 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 133 | 165 | 0 | 0 | 0 | 0 | 0 | 107.7 | K45 G59 | K45-A47 PolarHBondContact O-N 3.03Å; A47-G59 WeakPolarHBondContact O-CA 3.43Å; A47-G59 PolarHBondContact O-N 3.37Å |
| 48 | F | 68.1 | Low | 66.4 | Low | 146 Ų | 146 | 122.2 Ų | 122.2 | 64% | 0.64 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 116.4 | 165.5 | -75.2 | -85.5 | 0 | 0 | 0 | 106.5 | R46 C56 | R46-F48 PolarHBondContact O-N 3.2Å; F48-C56 HydrophobicContact CD1-CB 4.35Å |
| 49 | I | 70.4 | Confident | 67.3 | Low | 101 Ų | 101 | 116.3 Ų | 116.3 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.1 | 176.6 | -57.4 | 173.3 | 0 | 0 | 0 | 106.5 | C56 R57 | I49-C56 WeakPolarHBondContact O-CA 3.15Å; I49-R57 PolarHBondContact N-O 2.89Å; I49-R57 VanDerWaalsContact N-O 3.14Å; I49-R57 PolarHBondContact O-N 3.3Å |
| 50 | R | 74.7 | Confident | 68 | Low | 181 Ų | 181 | 121 Ų | 121 | 68% | 0.683 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92 | 124.9 | 174.2 | -169.4 | -179.1 | -73.9 | -164.4 | 0.6 | 107.9 | | |
| 51 | D | 76.6 | Confident | 68.5 | Low | 36 Ų | 36 | 118 Ų | 118 | 19% | 0.193 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -75.8 | 172.7 | 173.4 | 65.8 | 19.6 | 0 | 0 | 0 | 111.9 | N53 G54 V55 R57 | D51-N53 PolarHBondContact O-N 2.78Å; D51-N53 VanDerWaalsContact O-N 3.08Å; D51-N53 WeakPolarHBondContact OD1-CA 3.36Å; D51-N53 WeakPolarHBondContact OD1-CB 3.5Å; D51-N53 PolarHBondContact OD1-N 3.3Å; D51-N53 VanDerWaalsContact OD1-N 3.12Å; D51-G54 PolarHBondContact O-N 3.35Å; D51-G54 PolarHBondContact OD1-N 3.09Å; D51-G54 VanDerWaalsContact OD1-N 3.15Å; D51-V55 PolarHBondContact N-O 3.32Å; D51-V55 WeakPolarHBondContact OD1-CA 3.45Å; D51-V55 WeakPolarHBondContact OD1-CB 3.44Å; D51-V55 PolarHBondContact OD1-N 3.34Å; D51-V55 WeakPolarHBondContact OD2-CB 3.46Å; D51-R57 IonicContact OD2-CZ 3.54Å; D51-R57 IonicContact OD2-NE 3.35Å; D51-R57 PolarHBondContact OD2-NE 2.76Å; D51-R57 IonicContact OD2-NH2 2.98Å; D51-R57 PolarHBondContact OD2-NH2 2.94Å |
| 52 | E | 83.2 | Confident | 69.2 | Low | 189 Ų | 189 | 116.1 Ų | 116.1 | 88% | 0.883 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -21.2 | 177.2 | 57.3 | -175.9 | -177.3 | 0 | 0 | 113.6 | | |
| 53 | N | 81.3 | Confident | 69.4 | Low | 130 Ų | 130 | 120.3 Ų | 120.3 | 70% | 0.695 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 3.1 | 178.1 | -63 | -10.5 | 0 | 0 | 0 | 112.8 | D51 V55 | D51-N53 PolarHBondContact O-N 2.78Å; D51-N53 VanDerWaalsContact O-N 3.08Å; D51-N53 WeakPolarHBondContact OD1-CA 3.36Å; D51-N53 WeakPolarHBondContact OD1-CB 3.5Å; D51-N53 PolarHBondContact OD1-N 3.3Å; D51-N53 VanDerWaalsContact OD1-N 3.12Å; N53-V55 HydrophobicContact CB-CG2 4.49Å |
| 54 | G | 76.4 | Confident | 69.2 | Low | 38 Ų | 38 | 115.1 Ų | 115.1 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | S | Bend | trans | 82.8 | 5.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D51 C56 | D51-G54 PolarHBondContact O-N 3.35Å; D51-G54 PolarHBondContact OD1-N 3.09Å; D51-G54 VanDerWaalsContact OD1-N 3.15Å; G54-C56 PolarHBondContact O-N 2.82Å |
| 55 | V | 78 | Confident | 69.2 | Low | 79 Ų | 79 | 116.3 Ų | 116.3 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | | | trans | -81.4 | 120.3 | -178.9 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | D51 N53 R57 | D51-V55 PolarHBondContact N-O 3.32Å; D51-V55 WeakPolarHBondContact OD1-CA 3.45Å; D51-V55 WeakPolarHBondContact OD1-CB 3.44Å; D51-V55 PolarHBondContact OD1-N 3.34Å; D51-V55 WeakPolarHBondContact OD2-CB 3.46Å; N53-V55 HydrophobicContact CB-CG2 4.49Å; V55-R57 PolarHBondContact O-N 3.24Å |
| 56 | C | 74.5 | Confident | 68.8 | Low | 69 Ų | 69 | 114.2 Ų | 114.2 | 47% | 0.466 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.6 | 112 | 173.5 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | F48 I49 G54 | F48-C56 HydrophobicContact CD1-CB 4.35Å; I49-C56 WeakPolarHBondContact O-CA 3.15Å; G54-C56 PolarHBondContact O-N 2.82Å |
| 57 | R | 68.5 | Low | 68.5 | Low | 154 Ų | 154 | 111.3 Ų | 111.3 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 146.6 | 169.7 | -59.4 | -171.3 | -169.5 | -177.8 | 5.4 | 109.4 | I49 D51 V55 G59 | I49-R57 PolarHBondContact N-O 2.89Å; I49-R57 VanDerWaalsContact N-O 3.14Å; I49-R57 PolarHBondContact O-N 3.3Å; D51-R57 IonicContact OD2-CZ 3.54Å; D51-R57 IonicContact OD2-NE 3.35Å; D51-R57 PolarHBondContact OD2-NE 2.76Å; D51-R57 IonicContact OD2-NH2 2.98Å; D51-R57 PolarHBondContact OD2-NH2 2.94Å; V55-R57 PolarHBondContact O-N 3.24Å; R57-G59 PolarHBondContact O-N 2.86Å |
| 58 | P | 72.6 | Confident | 68.1 | Low | 89 Ų | 89 | 113.6 Ų | 113.6 | 58% | 0.578 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -55 | 115.4 | 167.8 | -18.9 | 31.1 | 0 | 0 | 0 | 107.7 | | |
| 59 | G | 67 | Low | 67.6 | Low | 9 Ų | 9 | 115.8 Ų | 115.8 | 9% | 0.093 | 60% | 0.601 | C | S | . | * | P | Polyproline II helix | trans | -63.9 | 153.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A47 R57 L61 | A47-G59 WeakPolarHBondContact O-CA 3.43Å; A47-G59 PolarHBondContact O-N 3.37Å; R57-G59 PolarHBondContact O-N 2.86Å; G59-L61 PolarHBondContact O-N 3.41Å |
| 60 | E | 62.6 | Low | 67.1 | Low | 178 Ų | 178 | 117.6 Ų | 117.6 | 83% | 0.832 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 136.3 | 170.6 | -65.6 | -179.4 | 174.8 | 0 | 0 | 108.6 | D62 | E60-D62 PolarHBondContact O-N 3.17Š|
| 61 | L | 62 | Low | 66.1 | Low | 95 Ų | 95 | 113.5 Ų | 113.5 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 117.9 | 175.8 | -170.4 | 90 | 0 | 0 | 0 | 105.6 | R46 G59 E63 | R46-L61 HydrophobicContact CG-CD1 4.47Å; G59-L61 PolarHBondContact O-N 3.41Å; L61-E63 PolarHBondContact O-N 3.3Å |
| 62 | D | 62.6 | Low | 65 | Low | 145 Ų | 145 | 120.2 Ų | 120.2 | 78% | 0.775 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 116.7 | 167.6 | -70.7 | -24.6 | 0 | 0 | 0 | 107.3 | E60 D64 | E60-D62 PolarHBondContact O-N 3.17Å; D62-D64 PolarHBondContact O-N 3.41Å |
| 63 | E | 61.6 | Low | 63.6 | Low | 178 Ų | 178 | 115.7 Ų | 115.7 | 83% | 0.832 | 62% | 0.62 | S | S | * | * | | | trans | -65.6 | 108.6 | 179.2 | -67.7 | -175.5 | 169.1 | 0 | 0 | 107.3 | L61 T65 | L61-E63 PolarHBondContact O-N 3.3Å; E63-T65 PolarHBondContact O-N 3.18Å |
| 64 | D | 57.2 | Low | 62.3 | Low | 73 Ų | 73 | 118.7 Ų | 118.7 | 39% | 0.39 | 62% | 0.621 | S | S | . | * | | | trans | -53.9 | 115 | 172 | -68.2 | -42.7 | 0 | 0 | 0 | 107.3 | K44 D62 N66 M67 | K44-D64 WeakPolarHBondContact CE-OD2 3.47Å; K44-D64 IonicContact NZ-OD2 2.64Å; K44-D64 PolarHBondContact NZ-OD2 2.97Å; D62-D64 PolarHBondContact O-N 3.41Å; D64-N66 PolarHBondContact O-N 3.47Å; D64-M67 HydrophobicContact CB-CG 4.22Å; D64-M67 WeakPolarHBondContact O-CG 3.36Å; D64-M67 PolarHBondContact O-N 2.89Å |
| 65 | T | 61.2 | Low | 61.1 | Low | 147 Ų | 147 | 119.7 Ų | 119.7 | 90% | 0.902 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 5.2 | 177.7 | -30.1 | 0 | 0 | 0 | 0 | 112.6 | E63 | E63-T65 PolarHBondContact O-N 3.18Š|
| 66 | N | 57.8 | Low | 60 | Low | 147 Ų | 147 | 118.1 Ų | 118.1 | 79% | 0.786 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 15.8 | -177 | -107.5 | -26 | 0 | 0 | 0 | 114.5 | D64 S68 | D64-N66 PolarHBondContact O-N 3.47Å; N66-S68 PolarHBondContact O-N 3.2Å; N66-S68 VanDerWaalsContact O-N 3.17Å |
| 67 | M | 56.3 | Low | 59.3 | Low | 96 Ų | 96 | 118.6 Ų | 118.6 | 47% | 0.473 | 62% | 0.616 | S | S | . | * | | | trans | -76.8 | 6.6 | 178 | -60.2 | -73.9 | -83.4 | 0 | 0 | 114.4 | D64 K69 H71 | D64-M67 HydrophobicContact CB-CG 4.22Å; D64-M67 WeakPolarHBondContact O-CG 3.36Å; D64-M67 PolarHBondContact O-N 2.89Å; M67-K69 VanDerWaalsContact C-N 3.26Å; M67-K69 PolarHBondContact O-N 3.29Å; M67-H71 VanDerWaalsContact CB-CD2 3.49Å; M67-H71 WeakPolarHBondContact CB-CD2 3.28Å; M67-H71 WeakPolarHBondContact CB-NE2 3.5Å; M67-H71 PolarHBondContact O-CD2 3.44Å |
| 68 | S | 57.4 | Low | 59 | Low | 106 Ų | 106 | 116 Ų | 116 | 74% | 0.741 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -0.5 | -165.7 | 62 | 0 | 0 | 0 | 0 | 117.4 | N66 | N66-S68 PolarHBondContact O-N 3.2Å; N66-S68 VanDerWaalsContact O-N 3.17Å |
| 69 | K | 58.9 | Low | 58.5 | Low | 191 Ų | 191 | 116 Ų | 116 | 83% | 0.83 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | -11 | -174 | -110.5 | 176 | 179.8 | 175.3 | 0 | 117.7 | M67 | M67-K69 VanDerWaalsContact C-N 3.26Å; M67-K69 PolarHBondContact O-N 3.29Å |
| 70 | N | 58.5 | Low | 58.4 | Low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -128.2 | 11.9 | -174.8 | -68.3 | -33.3 | 0 | 0 | 0 | 114.3 | | |
| 71 | H | 54.9 | Low | 58.8 | Low | 94 Ų | 94 | 116.5 Ų | 116.5 | 44% | 0.435 | 61% | 0.609 | S | S | . | * | | | trans | -81.6 | -18.5 | -178.3 | -89 | -59.9 | 0 | 0 | 0 | 115 | M67 S73 R74 S75 | M67-H71 VanDerWaalsContact CB-CD2 3.49Å; M67-H71 WeakPolarHBondContact CB-CD2 3.28Å; M67-H71 WeakPolarHBondContact CB-NE2 3.5Å; M67-H71 PolarHBondContact O-CD2 3.44Å; H71-S73 VanDerWaalsContact C-N 3.33Å; H71-S73 PolarHBondContact O-N 3.12Å; H71-R74 PolarHBondContact O-N 3.47Å; H71-S75 PolarHBondContact O-N 3.35Å |
| 72 | E | 52.2 | Low | 59.2 | Low | 177 Ų | 177 | 114 Ų | 114 | 83% | 0.827 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64 | -37.8 | -172.1 | -157.8 | 151.9 | -155.6 | 0 | 0 | 112.4 | S76 | E72-S76 WeakPolarHBondContact O-CB 3.3Å |
| 73 | S | 54.7 | Low | 59.3 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -79.6 | -24.8 | 178.3 | -41.1 | 0 | 0 | 0 | 0 | 113.8 | H71 | H71-S73 VanDerWaalsContact C-N 3.33Å; H71-S73 PolarHBondContact O-N 3.12Å |
| 74 | R | 52.8 | Low | 59.6 | Low | 193 Ų | 193 | 107 Ų | 107 | 73% | 0.728 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -88 | -33.5 | -177.7 | -68.2 | -176.9 | 70.1 | 126.2 | -0.2 | 112.6 | H71 V78 | H71-R74 PolarHBondContact O-N 3.47Å; R74-V78 WeakPolarHBondContact O-CG2 3.29Å |
| 75 | S | 52.1 | Low | 60.3 | Low | 60 Ų | 60 | 111.1 Ų | 111.1 | 42% | 0.42 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63 | -46.5 | 170.8 | -157.8 | 0 | 0 | 0 | 0 | 110.1 | H71 V77 V78 D79 | H71-S75 PolarHBondContact O-N 3.35Å; S75-V77 VanDerWaalsContact C-N 3.29Å; S75-V77 PolarHBondContact O-N 3.34Å; S75-V77 VanDerWaalsContact O-N 3.09Å; S75-V78 PolarHBondContact O-N 2.85Å; S75-D79 VanDerWaalsContact C-OD2 3.27Å; S75-D79 WeakPolarHBondContact O-CB 3.35Å; S75-D79 PolarHBondContact O-N 3.07Å; S75-D79 PolarHBondContact OG-OD2 3.25Å |
| 76 | S | 55.8 | Low | 60.7 | Low | 45 Ų | 45 | 109.6 Ų | 109.6 | 32% | 0.315 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -50.7 | -38.8 | -179.3 | 171.1 | 0 | 0 | 0 | 0 | 115.3 | E72 R80 | E72-S76 WeakPolarHBondContact O-CB 3.3Å; S76-R80 WeakPolarHBondContact O-CB 3.46Å; S76-R80 VanDerWaalsContact O-CG 3.29Å; S76-R80 WeakPolarHBondContact O-CG 3.22Å; S76-R80 PolarHBondContact O-N 3.47Å; S76-R80 VanDerWaalsContact O-N 3.15Å; S76-R80 PolarHBondContact O-NE 3.3Å; S76-R80 VanDerWaalsContact O-NE 3.1Å; S76-R80 PolarHBondContact OG-NE 2.94Å; S76-R80 PolarHBondContact OG-NH2 3.4Å |
| 77 | V | 58.1 | Low | 61.1 | Low | 80 Ų | 80 | 105.9 Ų | 105.9 | 49% | 0.485 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -79.4 | -38.2 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | S75 T81 | S75-V77 VanDerWaalsContact C-N 3.29Å; S75-V77 PolarHBondContact O-N 3.34Å; S75-V77 VanDerWaalsContact O-N 3.09Å; V77-T81 WeakPolarHBondContact O-CB 3.45Å; V77-T81 PolarHBondContact O-N 3.05Å; V77-T81 PolarHBondContact O-OG1 3.1Å |
| 78 | V | 62.6 | Low | 61.3 | Low | 98 Ų | 98 | 104.9 Ų | 104.9 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.8 | -42.3 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | R74 S75 T81 A82 | R74-V78 WeakPolarHBondContact O-CG2 3.29Å; S75-V78 PolarHBondContact O-N 2.85Å; V78-T81 PolarHBondContact O-N 3.05Å; V78-A82 WeakPolarHBondContact O-CB 3.42Å; V78-A82 PolarHBondContact O-N 3.4Å |
| 79 | D | 62.9 | Low | 61.7 | Low | 91 Ų | 91 | 107.7 Ų | 107.7 | 49% | 0.487 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66 | -42 | 178 | -63 | -30.7 | 0 | 0 | 0 | 111.1 | S75 A82 A83 | S75-D79 VanDerWaalsContact C-OD2 3.27Å; S75-D79 WeakPolarHBondContact O-CB 3.35Å; S75-D79 PolarHBondContact O-N 3.07Å; S75-D79 PolarHBondContact OG-OD2 3.25Å; D79-A82 PolarHBondContact O-N 3.4Å; D79-A83 VanDerWaalsContact O-CB 3.3Å; D79-A83 WeakPolarHBondContact O-CB 3.49Å; D79-A83 PolarHBondContact O-N 3.41Å |
| 80 | R | 65.2 | Low | 62 | Low | 147 Ų | 147 | 102.4 Ų | 102.4 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.7 | -47.2 | 171.8 | -83.2 | -176.4 | -82.9 | 174.4 | -10.8 | 112.4 | S76 A82 A83 E84 | S76-R80 WeakPolarHBondContact O-CB 3.46Å; S76-R80 VanDerWaalsContact O-CG 3.29Å; S76-R80 WeakPolarHBondContact O-CG 3.22Å; S76-R80 PolarHBondContact O-N 3.47Å; S76-R80 VanDerWaalsContact O-N 3.15Å; S76-R80 PolarHBondContact O-NE 3.3Å; S76-R80 VanDerWaalsContact O-NE 3.1Å; S76-R80 PolarHBondContact OG-NE 2.94Å; S76-R80 PolarHBondContact OG-NH2 3.4Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 3Å; R80-A83 PolarHBondContact O-N 3.14Å; R80-E84 WeakPolarHBondContact O-CG 3.33Å; R80-E84 PolarHBondContact O-N 3.42Å |
| 81 | T | 70.7 | Confident | 62.2 | Low | 49 Ų | 49 | 99.8 Ų | 99.8 | 30% | 0.301 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 179 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | V77 V78 R85 | V77-T81 WeakPolarHBondContact O-CB 3.45Å; V77-T81 PolarHBondContact O-N 3.05Å; V77-T81 PolarHBondContact O-OG1 3.1Å; V78-T81 PolarHBondContact O-N 3.05Å; T81-R85 WeakPolarHBondContact O-CG 3.31Å; T81-R85 PolarHBondContact O-N 3.21Å; T81-R85 VanDerWaalsContact O-N 3.11Å |
| 82 | A | 68.9 | Low | 62.7 | Low | 42 Ų | 42 | 101.2 Ų | 101.2 | 35% | 0.347 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.3 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V78 D79 R80 R85 I86 | V78-A82 WeakPolarHBondContact O-CB 3.42Å; V78-A82 PolarHBondContact O-N 3.4Å; D79-A82 PolarHBondContact O-N 3.4Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 3Å; A82-R85 PolarHBondContact O-N 3.1Å; A82-I86 WeakPolarHBondContact O-CG1 3.4Å; A82-I86 PolarHBondContact O-N 2.85Å |
| 83 | A | 66.6 | Low | 63.1 | Low | 56 Ų | 56 | 98.7 Ų | 98.7 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | D79 R80 R85 I86 S87 | D79-A83 VanDerWaalsContact O-CB 3.3Å; D79-A83 WeakPolarHBondContact O-CB 3.49Å; D79-A83 PolarHBondContact O-N 3.41Å; R80-A83 PolarHBondContact O-N 3.14Å; A83-R85 VanDerWaalsContact C-N 3.34Å; A83-R85 PolarHBondContact O-N 3.44Å; A83-I86 PolarHBondContact O-N 3.07Å; A83-S87 WeakPolarHBondContact O-CB 3.34Å; A83-S87 PolarHBondContact O-N 3.32Å |
| 84 | E | 67.3 | Low | 63.2 | Low | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.6 | -44.6 | 174 | -75.3 | 170.8 | -165.6 | 0 | 0 | 111.8 | R80 I86 S87 C88 | R80-E84 WeakPolarHBondContact O-CG 3.33Å; R80-E84 PolarHBondContact O-N 3.42Å; E84-I86 VanDerWaalsContact C-N 3.34Å; E84-I86 PolarHBondContact O-N 3.26Å; E84-S87 PolarHBondContact O-N 2.78Å; E84-C88 PolarHBondContact O-N 3.06Å; E84-C88 PolarHBondContact O-SG 3.41Å; E84-C88 VanDerWaalsContact O-SG 3.35Å |
| 85 | R | 71.7 | Confident | 63.5 | Low | 159 Ų | 159 | 96.9 Ų | 96.9 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -37.5 | 177.5 | -74.2 | 170.7 | -177.7 | -176.8 | 3.2 | 112.8 | T81 A82 A83 R89 | T81-R85 WeakPolarHBondContact O-CG 3.31Å; T81-R85 PolarHBondContact O-N 3.21Å; T81-R85 VanDerWaalsContact O-N 3.11Å; A82-R85 PolarHBondContact O-N 3.1Å; A83-R85 VanDerWaalsContact C-N 3.34Å; A83-R85 PolarHBondContact O-N 3.44Å; R85-R89 VanDerWaalsContact O-CG 3.31Å; R85-R89 WeakPolarHBondContact O-CG 3.3Å; R85-R89 PolarHBondContact O-N 3.11Å |
| 86 | I | 68.4 | Low | 63.7 | Low | 115 Ų | 115 | 99.9 Ų | 99.9 | 59% | 0.59 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.8 | -43.2 | 176 | -66.3 | 165.3 | 0 | 0 | 0 | 109.8 | A82 A83 E84 R89 L90 | A82-I86 WeakPolarHBondContact O-CG1 3.4Å; A82-I86 PolarHBondContact O-N 2.85Å; A83-I86 PolarHBondContact O-N 3.07Å; E84-I86 VanDerWaalsContact C-N 3.34Å; E84-I86 PolarHBondContact O-N 3.26Å; I86-R89 PolarHBondContact O-N 3.1Å; I86-L90 PolarHBondContact O-N 2.93Å |
| 87 | S | 66.2 | Low | 63.7 | Low | 68 Ų | 68 | 101.6 Ų | 101.6 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 177.9 | -177 | 0 | 0 | 0 | 0 | 112.1 | A83 E84 R89 L90 V91 | A83-S87 WeakPolarHBondContact O-CB 3.34Å; A83-S87 PolarHBondContact O-N 3.32Å; E84-S87 PolarHBondContact O-N 2.78Å; S87-R89 VanDerWaalsContact C-N 3.29Å; S87-R89 PolarHBondContact O-N 3.2Å; S87-L90 PolarHBondContact O-N 3.35Å; S87-L90 VanDerWaalsContact O-N 3.14Å; S87-V91 WeakPolarHBondContact O-CG2 3.23Å; S87-V91 PolarHBondContact O-N 3.41Å |
| 88 | C | 61.8 | Low | 63.6 | Low | 75 Ų | 75 | 105.2 Ų | 105.2 | 51% | 0.507 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 177.5 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | E84 Q92 | E84-C88 PolarHBondContact O-N 3.06Å; E84-C88 PolarHBondContact O-SG 3.41Å; E84-C88 VanDerWaalsContact O-SG 3.35Å; C88-Q92 WeakPolarHBondContact O-CB 3.45Å; C88-Q92 VanDerWaalsContact O-CG 3.28Å; C88-Q92 WeakPolarHBondContact O-CG 3.45Å; C88-Q92 PolarHBondContact O-N 2.89Å |
| 89 | R | 65.1 | Low | 63.4 | Low | 165 Ų | 165 | 102.1 Ų | 102.1 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -39.4 | 176.6 | -74.3 | 176.7 | -173 | 171.2 | 1.7 | 112.2 | R85 I86 S87 Q92 Q93 | R85-R89 VanDerWaalsContact O-CG 3.31Å; R85-R89 WeakPolarHBondContact O-CG 3.3Å; R85-R89 PolarHBondContact O-N 3.11Å; I86-R89 PolarHBondContact O-N 3.1Å; S87-R89 VanDerWaalsContact C-N 3.29Å; S87-R89 PolarHBondContact O-N 3.2Å; R89-Q92 PolarHBondContact O-N 3.26Å; R89-Q93 WeakPolarHBondContact O-CG 3.2Å; R89-Q93 PolarHBondContact O-N 3.23Å |
| 90 | L | 65.1 | Low | 63.2 | Low | 80 Ų | 80 | 102.5 Ų | 102.5 | 42% | 0.419 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 178 | -170.9 | 70.2 | 0 | 0 | 0 | 111.6 | I86 S87 Q93 R94 | I86-L90 PolarHBondContact O-N 2.93Å; S87-L90 PolarHBondContact O-N 3.35Å; S87-L90 VanDerWaalsContact O-N 3.14Å; L90-Q93 PolarHBondContact O-N 3.31Å; L90-R94 WeakPolarHBondContact O-CG 3.48Å; L90-R94 PolarHBondContact O-N 2.99Å; L90-R94 VanDerWaalsContact O-N 3.1Å |
| 91 | V | 63.3 | Low | 62.7 | Low | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | S87 Q93 R94 S95 | S87-V91 WeakPolarHBondContact O-CG2 3.23Å; S87-V91 PolarHBondContact O-N 3.41Å; V91-Q93 PolarHBondContact O-N 2.91Å; V91-R94 PolarHBondContact O-N 3.28Å; V91-S95 PolarHBondContact O-N 3.43Å; V91-S95 PolarHBondContact O-OG 3.29Å; V91-S95 VanDerWaalsContact O-OG 3.05Å |
| 92 | Q | 65 | Low | 62.2 | Low | 125 Ų | 125 | 109.5 Ų | 109.5 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 178.4 | -73.8 | 173.1 | 4.5 | 0 | 0 | 113.2 | C88 R89 S95 L96 | C88-Q92 WeakPolarHBondContact O-CB 3.45Å; C88-Q92 VanDerWaalsContact O-CG 3.28Å; C88-Q92 WeakPolarHBondContact O-CG 3.45Å; C88-Q92 PolarHBondContact O-N 2.89Å; R89-Q92 PolarHBondContact O-N 3.26Å; Q92-S95 PolarHBondContact O-N 2.9Å; Q92-L96 PolarHBondContact O-N 3.42Å; Q92-L96 VanDerWaalsContact O-N 3.07Å |
| 93 | Q | 60.7 | Low | 61.7 | Low | 123 Ų | 123 | 114.3 Ų | 114.3 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62 | -46 | 173.8 | -77.6 | 179.7 | -29.8 | 0 | 0 | 111.5 | R89 L90 V91 S95 L96 D97 | R89-Q93 WeakPolarHBondContact O-CG 3.2Å; R89-Q93 PolarHBondContact O-N 3.23Å; L90-Q93 PolarHBondContact O-N 3.31Å; V91-Q93 PolarHBondContact O-N 2.91Å; Q93-S95 VanDerWaalsContact C-N 3.32Å; Q93-S95 PolarHBondContact O-N 3.24Å; Q93-L96 PolarHBondContact O-N 2.99Å; Q93-D97 PolarHBondContact O-N 3.29Å; Q93-D97 VanDerWaalsContact O-N 3.11Å |
| 94 | R | 57.3 | Low | 61.3 | Low | 172 Ų | 172 | 117 Ų | 117 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -32.7 | 178 | -69.5 | -179.9 | 177.2 | 177.2 | -0.8 | 113 | L90 V91 D97 F98 | L90-R94 WeakPolarHBondContact O-CG 3.48Å; L90-R94 PolarHBondContact O-N 2.99Å; L90-R94 VanDerWaalsContact O-N 3.1Å; V91-R94 PolarHBondContact O-N 3.28Å; R94-D97 PolarHBondContact O-N 3.31Å; R94-F98 PolarHBondContact O-N 3.16Å; R94-F98 VanDerWaalsContact O-N 3.1Å |
| 95 | S | 59.7 | Low | 60.8 | Low | 78 Ų | 78 | 117 Ų | 117 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71 | -34.4 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 112.9 | V91 Q92 Q93 G99 | V91-S95 PolarHBondContact O-N 3.43Å; V91-S95 PolarHBondContact O-OG 3.29Å; V91-S95 VanDerWaalsContact O-OG 3.05Å; Q92-S95 PolarHBondContact O-N 2.9Å; Q93-S95 VanDerWaalsContact C-N 3.32Å; Q93-S95 PolarHBondContact O-N 3.24Å; S95-G99 PolarHBondContact O-N 2.99Å |
| 96 | L | 56.1 | Low | 59.9 | Low | 122 Ų | 122 | 114.7 Ų | 114.7 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.3 | -40.4 | 172 | -86 | 158.1 | 0 | 0 | 0 | 111.2 | Q92 Q93 G99 L100 | Q92-L96 PolarHBondContact O-N 3.42Å; Q92-L96 VanDerWaalsContact O-N 3.07Å; Q93-L96 PolarHBondContact O-N 2.99Å; L96-G99 PolarHBondContact O-N 2.89Å; L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 3.11Å |
| 97 | D | 56.1 | Low | 59.2 | Low | 81 Ų | 81 | 117 Ų | 117 | 43% | 0.433 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.3 | -41.2 | 177.6 | -68.4 | -22.2 | 0 | 0 | 0 | 112.1 | Q93 R94 G99 L100 Y101 | Q93-D97 PolarHBondContact O-N 3.29Å; Q93-D97 VanDerWaalsContact O-N 3.11Å; R94-D97 PolarHBondContact O-N 3.31Å; D97-G99 VanDerWaalsContact C-N 3.29Å; D97-G99 PolarHBondContact O-N 2.85Å; D97-L100 PolarHBondContact O-N 3.32Å; D97-L100 VanDerWaalsContact O-N 3.07Å; D97-Y101 HydrophobicContact CB-CD2 4.19Å; D97-Y101 HydrophobicContact CB-CE2 4.13Å; D97-Y101 WeakPolarHBondContact O-CD2 3.39Å; D97-Y101 PolarHBondContact O-N 3.09Å |
| 98 | F | 55.4 | Low | 58.5 | Low | 156 Ų | 156 | 120.4 Ų | 120.4 | 68% | 0.684 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.9 | -37.2 | 179.1 | -167.2 | -97.1 | 0 | 0 | 0 | 112.8 | R94 R102 | R94-F98 PolarHBondContact O-N 3.16Å; R94-F98 VanDerWaalsContact O-N 3.1Å; F98-R102 WeakPolarHBondContact O-CB 3.32Å; F98-R102 PolarHBondContact O-N 3.15Å |
| 99 | G | 58.2 | Low | 58 | Low | 34 Ų | 34 | 123.2 Ų | 123.2 | 35% | 0.351 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.9 | -32.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S95 L96 D97 K103 | S95-G99 PolarHBondContact O-N 2.99Å; L96-G99 PolarHBondContact O-N 2.89Å; D97-G99 VanDerWaalsContact C-N 3.29Å; D97-G99 PolarHBondContact O-N 2.85Å; G99-K103 WeakPolarHBondContact O-CG 3.49Å; G99-K103 PolarHBondContact O-N 2.99Å |
| 100 | L | 57.3 | Low | 57.3 | Low | 98 Ų | 98 | 121.5 Ų | 121.5 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -77.5 | -41.3 | 177.3 | -69.6 | 170.7 | 0 | 0 | 0 | 112 | L96 D97 R102 K103 L104 | L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 3.11Å; D97-L100 PolarHBondContact O-N 3.32Å; D97-L100 VanDerWaalsContact O-N 3.07Å; L100-R102 VanDerWaalsContact C-N 3.32Å; L100-R102 PolarHBondContact O-N 2.82Å; L100-K103 PolarHBondContact O-N 2.84Å; L100-K103 VanDerWaalsContact O-N 3.12Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 3.34Å |
| 101 | Y | 56.8 | Low | 56.4 | Low | 159 Ų | 159 | 121.9 Ų | 121.9 | 62% | 0.624 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.5 | -39 | 174.4 | -81.7 | -69.3 | 0 | 0 | 0 | 112.2 | D97 K103 L104 N105 | D97-Y101 HydrophobicContact CB-CD2 4.19Å; D97-Y101 HydrophobicContact CB-CE2 4.13Å; D97-Y101 WeakPolarHBondContact O-CD2 3.39Å; D97-Y101 PolarHBondContact O-N 3.09Å; Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 3.31Å; Y101-L104 PolarHBondContact O-N 2.73Å; Y101-N105 PolarHBondContact O-N 3.35Å |
| 102 | R | 58.7 | Low | 55.5 | Low | 184 Ų | 184 | 125.5 Ų | 125.5 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63 | -37 | 173.9 | -164 | -175.5 | -141.5 | -138.2 | 5.9 | 112.5 | F98 L100 | F98-R102 WeakPolarHBondContact O-CB 3.32Å; F98-R102 PolarHBondContact O-N 3.15Å; L100-R102 VanDerWaalsContact C-N 3.32Å; L100-R102 PolarHBondContact O-N 2.82Å |
| 103 | K | 59 | Low | 54.4 | Low | 143 Ų | 143 | 124.6 Ų | 124.6 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.4 | -36.1 | 179.2 | -74.1 | 176.5 | -179.5 | -178.4 | 0 | 112.6 | G99 L100 Y101 N106 F107 | G99-K103 WeakPolarHBondContact O-CG 3.49Å; G99-K103 PolarHBondContact O-N 2.99Å; L100-K103 PolarHBondContact O-N 2.84Å; L100-K103 VanDerWaalsContact O-N 3.12Å; Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 3.31Å; K103-N106 PolarHBondContact O-N 3.03Å; K103-F107 PolarHBondContact O-N 2.85Å |
| 104 | L | 58.5 | Low | 53.4 | Low | 113 Ų | 113 | 124.2 Ų | 124.2 | 59% | 0.592 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.5 | -35.1 | 176.7 | -73.7 | 170.4 | 0 | 0 | 0 | 112.6 | L100 Y101 N106 F107 | L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 3.34Å; Y101-L104 PolarHBondContact O-N 2.73Å; L104-N106 PolarHBondContact O-N 3.4Å; L104-F107 PolarHBondContact O-N 3.01Å |
| 105 | N | 55.4 | Low | 52.4 | Low | 122 Ų | 122 | 121.1 Ų | 121.1 | 65% | 0.652 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.8 | -22 | 175.1 | -86.6 | 0.5 | 0 | 0 | 0 | 113.8 | Y101 | Y101-N105 PolarHBondContact O-N 3.35Å |
| 106 | N | 54.4 | Low | 51.5 | Low | 110 Ų | 110 | 124.4 Ų | 124.4 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -90.2 | -25.7 | 176.4 | -67.7 | -4.3 | 0 | 0 | 0 | 112.5 | K103 L104 N108 | K103-N106 PolarHBondContact O-N 3.03Å; L104-N106 PolarHBondContact O-N 3.4Å; N106-N108 VanDerWaalsContact C-N 3.34Å; N106-N108 PolarHBondContact O-N 3.08Å |
| 107 | F | 53.7 | Low | 50.6 | Low | 163 Ų | 163 | 127.2 Ų | 127.2 | 72% | 0.715 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.9 | -11.8 | -176.7 | -106.1 | -89.7 | 0 | 0 | 0 | 114.6 | K103 L104 | K103-F107 PolarHBondContact O-N 2.85Å; L104-F107 PolarHBondContact O-N 3.01Å |
| 108 | N | 50.8 | Low | 49.9 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 6.1 | -173.3 | -143.2 | 11.1 | 0 | 0 | 0 | 114.8 | N106 | N106-N108 VanDerWaalsContact C-N 3.34Å; N106-N108 PolarHBondContact O-N 3.08Å |
| 109 | I | 51.5 | Low | 49.1 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -26.3 | 179.9 | -61.7 | 175.7 | 0 | 0 | 0 | 111.8 | | |
| 110 | D | 49.3 | Very low | 48.3 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -102.1 | 3.7 | -171.6 | -62.6 | -29.4 | 0 | 0 | 0 | 115.2 | | |
| 111 | S | 47 | Very low | 47.4 | Very low | 87 Ų | 87 | 127.5 Ų | 127.5 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -101.3 | 8.6 | -171.8 | -59.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 112 | N | 45 | Very low | 46.6 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -128.9 | 26.3 | -177.7 | -86 | -22.9 | 0 | 0 | 0 | 115 | | |
| 113 | S | 40.7 | Very low | 46.4 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | | | trans | -129.4 | 67.3 | 175.4 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 114 | S | 40.2 | Very low | 45.5 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | -149.1 | 127.1 | 163.2 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 115 | S | 36.8 | Very low | 45.1 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | 79.1 | 79.6 | 161.9 | -173.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 116 | T | 40.4 | Very low | 44.6 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | | | trans | -148.1 | 87.2 | 134.2 | -2.7 | 0 | 0 | 0 | 0 | 111.3 | S118 | T116-S118 PolarHBondContact O-N 2.94Š|
| 117 | Q | 36.2 | Very low | 44.5 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | -44.7 | 112.9 | 155.5 | 175.3 | -175.7 | -4.3 | 0 | 0 | 111.5 | | |
| 118 | S | 41.9 | Very low | 44.1 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | 167.3 | 120.9 | 135.3 | -81.4 | 0 | 0 | 0 | 0 | 112.4 | T116 | T116-S118 PolarHBondContact O-N 2.94Š|
| 119 | G | 39.1 | Very low | 43.9 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | 112.2 | 110.4 | 137.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 120 | S | 42.2 | Very low | 43.5 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | 68.2 | 103 | 144.9 | -164 | 0 | 0 | 0 | 0 | 115.8 | | |
| 121 | G | 37 | Very low | 43.4 | Very low | 57 Ų | 57 | 132.9 Ų | 132.9 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | | 101.1 | 135.8 | 60.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 122 | I | 41.3 | Very low | 43.3 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | | | trans | 84.4 | 139.2 | -178.5 | 93.4 | -167.7 | 0 | 0 | 0 | 115.2 | | |
| 123 | S | 53.3 | Low | 43.4 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | cis | -160.7 | 146.8 | -26.9 | 60.1 | 0 | 0 | 0 | 0 | 105.1 | N125 | S123-N125 PolarHBondContact O-N 2.98Š|
| 124 | E | 41.3 | Very low | 43.8 | Very low | 192 Ų | 192 | 142 Ų | 142 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | -58.3 | 119.6 | 173.7 | -68.2 | 163.5 | 173.1 | 0 | 0 | 110.4 | | |
| 125 | N | 49.3 | Very low | 44.3 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | -134.2 | 106.4 | 156.8 | -78.1 | -37.9 | 0 | 0 | 0 | 106.5 | S123 D127 | S123-N125 PolarHBondContact O-N 2.98Å; N125-D127 PolarHBondContact O-N 3.18Å |
| 126 | D | 44.7 | Very low | 44.9 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -49.3 | 124.2 | 149.4 | -66.9 | -47.5 | 0 | 0 | 0 | 107.8 | | |
| 127 | D | 52.5 | Low | 45.5 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -179.5 | 113.7 | 148.9 | -90.5 | -28.6 | 0 | 0 | 0 | 109.1 | N125 | N125-D127 PolarHBondContact O-N 3.18Š|
| 128 | N | 45.2 | Very low | 46.2 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 61% | 0.61 | 78% | 0.779 | S | S | * | * | | | | 51 | 109.1 | 122.6 | -165.3 | 24.4 | 0 | 0 | 0 | 116.3 | | |
| 129 | F | 47.6 | Very low | 46.8 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | | -169.5 | 99 | 120 | -98.5 | -71.1 | 0 | 0 | 0 | 109.3 | E131 | F129-E131 PolarHBondContact O-N 3.05Š|
| 130 | N | 43.5 | Very low | 47.7 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -46.9 | 112.8 | 146.2 | -85.3 | -38.4 | 0 | 0 | 0 | 108.6 | | |
| 131 | E | 45.9 | Very low | 48.3 | Very low | 152 Ų | 152 | 153.3 Ų | 153.3 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | | | trans | -152.3 | 92.9 | 145.1 | -135.3 | 173.9 | -175.2 | 0 | 0 | 110 | F129 R133 | F129-E131 PolarHBondContact O-N 3.05Å; E131-R133 PolarHBondContact O-N 3.42Å |
| 132 | I | 45.3 | Very low | 49.2 | Very low | 151 Ų | 151 | 161 Ų | 161 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | trans | -48.1 | 91.1 | 147 | -61.9 | 167.5 | 0 | 0 | 0 | 105.5 | K134 | I132-K134 HydrophobicContact CG2-CG 4.4Å; I132-K134 PolarHBondContact O-N 3.41Å |
| 133 | R | 47.4 | Very low | 49.9 | Very low | 211 Ų | 211 | 158.9 Ų | 158.9 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | -67.2 | 91.1 | 164.7 | -70.2 | -171.4 | -157.8 | 170 | 9.2 | 104.9 | E131 L135 | E131-R133 PolarHBondContact O-N 3.42Å; R133-L135 PolarHBondContact O-N 2.8Å |
| 134 | K | 49.9 | Very low | 50 | Low | 186 Ų | 186 | 160.5 Ų | 160.5 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | | | trans | -46.5 | 96.6 | 152.1 | -69.5 | -177 | 177.1 | -177.7 | 0 | 105.1 | I132 K136 | I132-K134 HydrophobicContact CG2-CG 4.4Å; I132-K134 PolarHBondContact O-N 3.41Å; K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 3.36Å |
| 135 | L | 49.3 | Very low | 51 | Low | 165 Ų | 165 | 160.9 Ų | 160.9 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -55.5 | 110.6 | 167.3 | -76.5 | 165.3 | 0 | 0 | 0 | 104.4 | R133 K137 | R133-L135 PolarHBondContact O-N 2.8Å; L135-K137 PolarHBondContact O-N 3Å |
| 136 | K | 49.3 | Very low | 51.4 | Low | 182 Ų | 182 | 162.3 Ų | 162.3 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -48.2 | 130.4 | 170.4 | -81.4 | 176 | 171.9 | 177.7 | 0 | 106.2 | K134 D138 | K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 3.36Å; K136-D138 VanDerWaalsContact C-N 3.28Å; K136-D138 PolarHBondContact O-N 3.04Å |
| 137 | K | 53.4 | Low | 52 | Low | 185 Ų | 185 | 161.4 Ų | 161.4 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -54.3 | 104.2 | 158.2 | -87.7 | 179.3 | 170.8 | -177.3 | 0 | 105.4 | L135 D139 | L135-K137 PolarHBondContact O-N 3Å; K137-D139 PolarHBondContact O-N 3.17Å |
| 138 | D | 50.8 | Low | 52.2 | Low | 126 Ų | 126 | 160.6 Ų | 160.6 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | | | trans | -70.4 | 107.7 | 158.4 | -70.8 | -26.4 | 0 | 0 | 0 | 104.6 | K136 N140 | K136-D138 VanDerWaalsContact C-N 3.28Å; K136-D138 PolarHBondContact O-N 3.04Å; D138-N140 PolarHBondContact O-N 3.44Å |
| 139 | D | 54 | Low | 52.7 | Low | 143 Ų | 143 | 161.6 Ų | 161.6 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | | | trans | -65.7 | 77.3 | 170.2 | -65.9 | -35.2 | 0 | 0 | 0 | 107.3 | K137 E141 | K137-D139 PolarHBondContact O-N 3.17Å; D139-E141 PolarHBondContact O-N 2.89Å |
| 140 | N | 58.5 | Low | 53.1 | Low | 129 Ų | 129 | 159.7 Ų | 159.7 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | | | trans | -77.1 | 80.1 | 169 | -67.3 | -4.6 | 0 | 0 | 0 | 106.7 | D138 Y142 | D138-N140 PolarHBondContact O-N 3.44Å; N140-Y142 PolarHBondContact O-N 3.43Å |
| 141 | E | 55 | Low | 53.8 | Low | 174 Ų | 174 | 160.1 Ų | 160.1 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | -54.6 | 98.2 | 168.3 | -172.7 | 171.5 | -169.9 | 0 | 0 | 108.6 | D139 H143 | D139-E141 PolarHBondContact O-N 2.89Å; E141-H143 PolarHBondContact O-N 3.28Å |
| 142 | Y | 55.6 | Low | 54.2 | Low | 217 Ų | 217 | 160.1 Ų | 160.1 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | | | trans | -67.6 | 98.4 | 168.6 | -99.3 | -96.2 | 0 | 0 | 0 | 107.7 | N140 E144 | N140-Y142 PolarHBondContact O-N 3.43Å; Y142-E144 PolarHBondContact O-N 3.47Å; Y142-E144 VanDerWaalsContact O-N 3.07Å |
| 143 | H | 55.5 | Low | 54.5 | Low | 131 Ų | 131 | 160.1 Ų | 160.1 | 61% | 0.606 | 76% | 0.759 | S | S | * | * | | | trans | -75.1 | 92.4 | 169.4 | -147.4 | -40.8 | 0 | 0 | 0 | 108 | E141 Y145 | E141-H143 PolarHBondContact O-N 3.28Å; H143-Y145 PolarHBondContact O-N 2.81Å |
| 144 | E | 56.9 | Low | 54.4 | Low | 126 Ų | 126 | 153.5 Ų | 153.5 | 59% | 0.589 | 76% | 0.757 | S | S | * | * | | | trans | -65.5 | 116.6 | 164.1 | -75.6 | -169.9 | 164.2 | 0 | 0 | 108.1 | Y142 Y146 | Y142-E144 PolarHBondContact O-N 3.47Å; Y142-E144 VanDerWaalsContact O-N 3.07Å; E144-Y146 HydrophobicContact CB-CD2 4.37Å; E144-Y146 HydrophobicContact CB-CE2 3.97Å; E144-Y146 PolarHBondContact O-N 2.83Å; E144-Y146 WeakPolarHBondContact OE2-CE2 3.11Å; E144-Y146 PolarHBondContact OE2-OH 3.19Å |
| 145 | Y | 60.5 | Low | 54.1 | Low | 200 Ų | 200 | 148 Ų | 148 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | | | trans | -81.3 | 101.8 | 165.7 | -71.9 | -88.5 | 0 | 0 | 0 | 107.2 | H143 D147 | H143-Y145 PolarHBondContact O-N 2.81Å; Y145-D147 PolarHBondContact O-N 2.95Å |
| 146 | Y | 59.2 | Low | 53.9 | Low | 174 Ų | 174 | 147.5 Ų | 147.5 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | | | trans | -69.1 | 111.8 | 159.8 | -72.2 | -89.5 | 0 | 0 | 0 | 107 | E144 D148 | E144-Y146 HydrophobicContact CB-CD2 4.37Å; E144-Y146 HydrophobicContact CB-CE2 3.97Å; E144-Y146 PolarHBondContact O-N 2.83Å; E144-Y146 WeakPolarHBondContact OE2-CE2 3.11Å; E144-Y146 PolarHBondContact OE2-OH 3.19Å; Y146-D148 PolarHBondContact O-N 3.02Å; Y146-D148 VanDerWaalsContact O-N 3.09Å |
| 147 | D | 56.8 | Low | 53.9 | Low | 136 Ų | 136 | 146.8 Ų | 146.8 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -76.9 | 84.2 | 166.9 | -169.4 | 1.7 | 0 | 0 | 0 | 107 | Y145 N149 | Y145-D147 PolarHBondContact O-N 2.95Å; D147-N149 PolarHBondContact O-N 3.13Å; D147-N149 PolarHBondContact OD1-ND2 2.86Å |
| 148 | D | 57.3 | Low | 53.7 | Low | 136 Ų | 136 | 145.5 Ų | 145.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -67.7 | 78.5 | 169.6 | -73.4 | -22.1 | 0 | 0 | 0 | 108.8 | Y146 | Y146-D148 PolarHBondContact O-N 3.02Å; Y146-D148 VanDerWaalsContact O-N 3.09Å |
| 149 | N | 55 | Low | 53.4 | Low | 134 Ų | 134 | 146.7 Ų | 146.7 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | -109.3 | 83.5 | 162.8 | -90.8 | -51.9 | 0 | 0 | 0 | 109.4 | D147 N151 | D147-N149 PolarHBondContact O-N 3.13Å; D147-N149 PolarHBondContact OD1-ND2 2.86Å; N149-N151 PolarHBondContact O-N 2.92Å |
| 150 | D | 55.5 | Low | 53.1 | Low | 146 Ų | 146 | 147.9 Ų | 147.9 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | -47.6 | 113.3 | 158.8 | -77 | -36.9 | 0 | 0 | 0 | 110.7 | | |
| 151 | N | 58.3 | Low | 52.6 | Low | 158 Ų | 158 | 151.4 Ų | 151.4 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | 169.3 | 90.7 | 138.1 | -88.2 | -32 | 0 | 0 | 0 | 111.5 | N149 | N149-N151 PolarHBondContact O-N 2.92Š|
| 152 | N | 53.7 | Low | 52.3 | Low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | 179.3 | 102.7 | 134.6 | -123.2 | 4.7 | 0 | 0 | 0 | 107.5 | | |
| 153 | D | 51.6 | Low | 52 | Low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | | | | 54.6 | 97.8 | 95.8 | -175.1 | 2.4 | 0 | 0 | 0 | 113 | | |
| 154 | G | 45.4 | Very low | 51.7 | Low | 73 Ų | 73 | 147.4 Ų | 147.4 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | 98.4 | 102.2 | 134.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 155 | G | 44 | Very low | 51.4 | Low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | 142 | 103.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 115 | I157 | G155-I157 PolarHBondContact O-N 3.19Š|
| 156 | D | 46 | Very low | 51 | Low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -37.9 | 119.2 | 165.9 | -80.2 | -46.1 | 0 | 0 | 0 | 114 | | |
| 157 | I | 49.2 | Very low | 50.4 | Low | 168 Ų | 168 | 143.4 Ų | 143.4 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | | | trans | -144.1 | 92.8 | 147.9 | -2.5 | 174.2 | 0 | 0 | 0 | 109.5 | G155 | G155-I157 PolarHBondContact O-N 3.19Š|
| 158 | Q | 48 | Very low | 50.2 | Low | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -67.4 | 148.1 | 157.9 | -62 | 178.4 | 7.9 | 0 | 0 | 108.5 | | |
| 159 | L | 45.9 | Very low | 49.8 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | 84 | 98.4 | 166.1 | -58.2 | 146.4 | 0 | 0 | 0 | 116.4 | | |
| 160 | E | 47.8 | Very low | 49.5 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -170.2 | 22.8 | 131.6 | -107.7 | 178.6 | -159.8 | 0 | 0 | 115.4 | S162 | E160-S162 PolarHBondContact O-N 3.06Š|
| 161 | Q | 47.5 | Very low | 49.1 | Very low | 203 Ų | 203 | 150.4 Ų | 150.4 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 14.7 | 173.2 | -70 | -173.6 | 20.2 | 0 | 0 | 114.5 | | |
| 162 | S | 48.8 | Very low | 48.6 | Very low | 96 Ų | 96 | 152.5 Ų | 152.5 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 16 | -173.2 | 46.1 | 0 | 0 | 0 | 0 | 115.6 | E160 | E160-S162 PolarHBondContact O-N 3.06Š|
| 163 | L | 48.6 | Very low | 48.4 | Very low | 127 Ų | 127 | 156.5 Ų | 156.5 | 67% | 0.665 | 80% | 0.803 | S | S | * | * | | | trans | -104.7 | 12.8 | 179.1 | -79.4 | 170 | 0 | 0 | 0 | 115.4 | I166 | L163-I166 HydrophobicContact CD2-CD1 4.45Š|
| 164 | Y | 49.9 | Very low | 47.9 | Very low | 215 Ų | 215 | 152.9 Ų | 152.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -94.8 | 1.8 | -176.6 | -142.9 | -96.5 | 0 | 0 | 0 | 116 | | |
| 165 | N | 50.9 | Low | 47.9 | Very low | 150 Ų | 150 | 158.6 Ų | 158.6 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | -137 | 82 | -179.1 | -63.6 | -36.8 | 0 | 0 | 0 | 111 | | |
| 166 | I | 52.6 | Low | 48.2 | Very low | 127 Ų | 127 | 164.3 Ų | 164.3 | 65% | 0.651 | 82% | 0.816 | S | S | * | * | | | trans | -131.1 | 105.2 | 165.3 | -59.8 | 179.4 | 0 | 0 | 0 | 108.4 | L163 | L163-I166 HydrophobicContact CD2-CD1 4.45Š|
| 167 | D | 45.2 | Very low | 48.2 | Very low | 139 Ų | 139 | 166.5 Ų | 166.5 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | | | trans | 65.6 | 77.3 | 156.6 | -58.5 | -15.2 | 0 | 0 | 0 | 119.6 | | |
| 168 | M | 53.2 | Low | 47.7 | Very low | 199 Ų | 199 | 161.9 Ų | 161.9 | 98% | 0.98 | 82% | 0.816 | S | S | * | * | | | trans | -100.7 | 32.5 | 149.9 | -79.5 | -160.9 | -64.5 | 0 | 0 | 112 | | |
| 169 | E | 49.6 | Very low | 47.5 | Very low | 175 Ų | 175 | 164 Ų | 164 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -113.2 | 86.9 | 173.7 | -67 | -171.1 | -178.2 | 0 | 0 | 109.8 | | |
| 170 | N | 47.6 | Very low | 47.7 | Very low | 161 Ų | 161 | 165 Ų | 165 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | | | trans | -145.5 | 71.3 | 153.3 | -107.1 | -13 | 0 | 0 | 0 | 108.7 | | |
| 171 | E | 47.6 | Very low | 47.9 | Very low | 164 Ų | 164 | 166.4 Ų | 166.4 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | | | | 42.3 | 87.7 | 126.6 | -147.3 | 168 | -168.7 | 0 | 0 | 116.9 | R173 | E171-R173 PolarHBondContact O-N 3.47Å; E171-R173 VanDerWaalsContact O-N 3.11Å |
| 172 | E | 47.3 | Very low | 48.1 | Very low | 202 Ų | 202 | 163.8 Ų | 163.8 | 94% | 0.944 | 83% | 0.825 | S | S | * | * | | | trans | -24.6 | 99.7 | 138.4 | -159.7 | 174.8 | -137.3 | 0 | 0 | 112.9 | | |
| 173 | R | 49.1 | Very low | 48.5 | Very low | 237 Ų | 237 | 163.8 Ų | 163.8 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | | | trans | -156 | 111.6 | 165.3 | -155.4 | 174.5 | -170.2 | -131.9 | -0.3 | 112.7 | E171 | E171-R173 PolarHBondContact O-N 3.47Å; E171-R173 VanDerWaalsContact O-N 3.11Å |
| 174 | G | 41.6 | Very low | 49 | Very low | 75 Ų | 75 | 164.8 Ų | 164.8 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | | | trans | 116.3 | 78 | 154.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 175 | E | 46 | Very low | 48.9 | Very low | 193 Ų | 193 | 159.7 Ų | 159.7 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | | | trans | -64 | 121 | 149.4 | -62.6 | 174.7 | 167.8 | 0 | 0 | 108.2 | | |
| 176 | E | 50.7 | Low | 49.3 | Very low | 189 Ų | 189 | 158.9 Ų | 158.9 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -165.8 | 101.9 | 153.2 | -109.1 | 173.2 | -148.3 | 0 | 0 | 109.2 | | |
| 177 | E | 44.7 | Very low | 49.4 | Very low | 201 Ų | 201 | 160.1 Ų | 160.1 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | | | trans | 23.1 | 118.7 | 142.6 | -57 | -176.7 | 172 | 0 | 0 | 119.1 | | |
| 178 | G | 39.1 | Very low | 49.8 | Very low | 71 Ų | 71 | 160.7 Ų | 160.7 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | trans | 176.9 | 86.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q180 | G178-Q180 PolarHBondContact O-N 3.09Š|
| 179 | E | 42.8 | Very low | 49.8 | Very low | 203 Ų | 203 | 157.3 Ų | 157.3 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | | | trans | -54.2 | 105.3 | 167.2 | -64.3 | 176 | 164.2 | 0 | 0 | 110 | | |
| 180 | Q | 50.6 | Low | 50.2 | Low | 172 Ų | 172 | 158.2 Ų | 158.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -128.8 | 114.2 | 160.6 | -78 | -175.8 | 17.9 | 0 | 0 | 108.6 | G178 D182 | G178-Q180 PolarHBondContact O-N 3.09Å; Q180-D182 PolarHBondContact O-N 2.8Å |
| 181 | E | 53.5 | Low | 50.9 | Low | 195 Ų | 195 | 159.6 Ų | 159.6 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -60.3 | 97.2 | 168.2 | -64.7 | 177 | 161.2 | 0 | 0 | 108.4 | S183 | E181-S183 PolarHBondContact O-N 2.89Š|
| 182 | D | 51.6 | Low | 51.5 | Low | 148 Ų | 148 | 161 Ų | 161 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | trans | -69.3 | 83.5 | 170.1 | -90 | -15 | 0 | 0 | 0 | 108.9 | Q180 I184 | Q180-D182 PolarHBondContact O-N 2.8Å; D182-I184 PolarHBondContact O-N 3.31Å |
| 183 | S | 57.1 | Low | 52.1 | Low | 96 Ų | 96 | 157.1 Ų | 157.1 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | | | trans | -59.6 | 100.5 | 160.4 | 55.1 | 0 | 0 | 0 | 0 | 107.9 | E181 T185 | E181-S183 PolarHBondContact O-N 2.89Å; S183-T185 PolarHBondContact O-N 2.94Å |
| 184 | I | 57.3 | Low | 52.4 | Low | 149 Ų | 149 | 148.1 Ų | 148.1 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | -60.9 | 91.1 | 170 | -62.2 | 171.7 | 0 | 0 | 0 | 107 | D182 I186 | D182-I184 PolarHBondContact O-N 3.31Å; I184-I186 VanDerWaalsContact C-N 3.33Å; I184-I186 HydrophobicContact CG2-CG1 3.97Å; I184-I186 PolarHBondContact O-N 3.17Å |
| 185 | T | 49.7 | Very low | 53.1 | Low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | | | trans | -74.2 | 96.2 | 166.8 | -55.5 | 0 | 0 | 0 | 0 | 105.5 | S183 Q187 | S183-T185 PolarHBondContact O-N 2.94Å; T185-Q187 VanDerWaalsContact C-N 3.27Å; T185-Q187 PolarHBondContact O-N 2.98Å |
| 186 | I | 57.6 | Low | 53.7 | Low | 133 Ų | 133 | 149 Ų | 149 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | | | trans | -61.6 | 97.3 | 168.4 | -58.7 | 175.4 | 0 | 0 | 0 | 105.7 | I184 N188 | I184-I186 VanDerWaalsContact C-N 3.33Å; I184-I186 HydrophobicContact CG2-CG1 3.97Å; I184-I186 PolarHBondContact O-N 3.17Å; I186-N188 PolarHBondContact O-N 2.83Å |
| 187 | Q | 56.5 | Low | 53.9 | Low | 153 Ų | 153 | 143.7 Ų | 143.7 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | | | trans | -64.1 | 118.5 | 167.7 | -67.5 | -174.1 | -15.1 | 0 | 0 | 105.7 | T185 D189 | T185-Q187 VanDerWaalsContact C-N 3.27Å; T185-Q187 PolarHBondContact O-N 2.98Å; Q187-D189 PolarHBondContact O-N 2.97Å |
| 188 | N | 52.6 | Low | 54.3 | Low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | | | trans | -63.5 | 87.1 | 172.2 | -67.6 | -52.3 | 0 | 0 | 0 | 107.4 | I186 E190 | I186-N188 PolarHBondContact O-N 2.83Å; N188-E190 PolarHBondContact O-N 2.77Å; N188-E190 VanDerWaalsContact O-N 3.16Å |
| 189 | D | 54.2 | Low | 55.1 | Low | 128 Ų | 128 | 146.3 Ų | 146.3 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | | | trans | -59.9 | 119.7 | 170.5 | -80.9 | -19.4 | 0 | 0 | 0 | 107.3 | Q187 F191 | Q187-D189 PolarHBondContact O-N 2.97Å; D189-F191 PolarHBondContact O-N 2.64Å |
| 190 | E | 58 | Low | 55.7 | Low | 193 Ų | 193 | 142.8 Ų | 142.8 | 90% | 0.902 | 71% | 0.713 | S | S | * | * | | | trans | -51.3 | 105.6 | 174.2 | -72.9 | 175.8 | 157.3 | 0 | 0 | 108.9 | N188 Y192 | N188-E190 PolarHBondContact O-N 2.77Å; N188-E190 VanDerWaalsContact O-N 3.16Å; E190-Y192 PolarHBondContact O-N 3.29Å |
| 191 | F | 61.8 | Low | 56 | Low | 191 Ų | 191 | 138 Ų | 138 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | | | trans | -59.6 | 112.3 | 176.6 | -75.8 | -89 | 0 | 0 | 0 | 109.2 | D189 T193 | D189-F191 PolarHBondContact O-N 2.64Å; F191-T193 VanDerWaalsContact C-N 3.34Å; F191-T193 PolarHBondContact O-N 3.35Å |
| 192 | Y | 60.4 | Low | 56.5 | Low | 193 Ų | 193 | 135.6 Ų | 135.6 | 76% | 0.757 | 70% | 0.696 | S | S | * | * | | | trans | -68.5 | 94.5 | 167.2 | 178.9 | -99.2 | 0 | 0 | 0 | 109.1 | E190 N194 | E190-Y192 PolarHBondContact O-N 3.29Å; Y192-N194 HydrophobicContact CD1-CB 4.17Å; Y192-N194 HydrophobicContact CE1-CB 3.71Å; Y192-N194 PolarHBondContact O-N 3.33Å; Y192-N194 VanDerWaalsContact O-N 3.08Å |
| 193 | T | 59.5 | Low | 57.5 | Low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | | | trans | -75.4 | 95.3 | 171.8 | -42.2 | 0 | 0 | 0 | 0 | 108.7 | F191 P195 | F191-T193 VanDerWaalsContact C-N 3.34Å; F191-T193 PolarHBondContact O-N 3.35Å; T193-P195 VanDerWaalsContact O-CD 3.3Å; T193-P195 WeakPolarHBondContact O-CD 3.36Å |
| 194 | N | 55 | Low | 58.2 | Low | 48 Ų | 48 | 139.8 Ų | 139.8 | 26% | 0.257 | 70% | 0.699 | S | S | . | * | | | trans | -60.8 | 121.8 | 177.2 | -179.1 | -10.3 | 0 | 0 | 0 | 110.1 | Y192 K196 I197 | Y192-N194 HydrophobicContact CD1-CB 4.17Å; Y192-N194 HydrophobicContact CE1-CB 3.71Å; Y192-N194 PolarHBondContact O-N 3.33Å; Y192-N194 VanDerWaalsContact O-N 3.08Å; N194-K196 PolarHBondContact O-N 2.81Å; N194-K196 VanDerWaalsContact O-N 3.09Å; N194-K196 WeakPolarHBondContact OD1-CB 3.49Å; N194-K196 PolarHBondContact OD1-N 3.18Å; N194-I197 HydrophobicContact CB-CB 3.99Å; N194-I197 HydrophobicContact CB-CD1 3.45Å; N194-I197 VanDerWaalsContact CB-CD1 3.45Å; N194-I197 HydrophobicContact CB-CG1 3.53Å; N194-I197 WeakPolarHBondContact ND2-CD1 3.15Å; N194-I197 VanDerWaalsContact O-CB 3.23Å; N194-I197 WeakPolarHBondContact O-CB 3.5Å; N194-I197 PolarHBondContact O-N 2.78Å |
| 195 | P | 56.5 | Low | 58.9 | Low | 93 Ų | 93 | 136.7 Ų | 136.7 | 60% | 0.604 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -63 | -19.9 | -178.2 | -22.3 | 32.2 | 0 | 0 | 0 | 114.4 | T193 | T193-P195 VanDerWaalsContact O-CD 3.3Å; T193-P195 WeakPolarHBondContact O-CD 3.36Å |
| 196 | K | 58.2 | Low | 60.1 | Low | 193 Ų | 193 | 137.3 Ų | 137.3 | 84% | 0.839 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -78.2 | -11.4 | 175.3 | -63.2 | -173.8 | 178.2 | -177.2 | 0 | 113.4 | N194 K198 | N194-K196 PolarHBondContact O-N 2.81Å; N194-K196 VanDerWaalsContact O-N 3.09Å; N194-K196 WeakPolarHBondContact OD1-CB 3.49Å; N194-K196 PolarHBondContact OD1-N 3.18Å; K196-K198 PolarHBondContact O-N 2.77Å |
| 197 | I | 55.3 | Low | 60.8 | Low | 77 Ų | 77 | 137.3 Ų | 137.3 | 40% | 0.395 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -92.9 | 15.2 | -176 | -66 | -167.8 | 0 | 0 | 0 | 110.4 | N194 E199 L200 | N194-I197 HydrophobicContact CB-CB 3.99Å; N194-I197 HydrophobicContact CB-CD1 3.45Å; N194-I197 VanDerWaalsContact CB-CD1 3.45Å; N194-I197 HydrophobicContact CB-CG1 3.53Å; N194-I197 WeakPolarHBondContact ND2-CD1 3.15Å; N194-I197 VanDerWaalsContact O-CB 3.23Å; N194-I197 WeakPolarHBondContact O-CB 3.5Å; N194-I197 PolarHBondContact O-N 2.78Å; I197-E199 PolarHBondContact O-N 3.12Å; I197-L200 HydrophobicContact CB-CD1 4.36Å; I197-L200 HydrophobicContact CB-CG 4.36Å; I197-L200 HydrophobicContact CG2-CB 3.78Å; I197-L200 HydrophobicContact CG2-CD1 2.9Å; I197-L200 HydrophobicContact CG2-CD2 4.33Å; I197-L200 HydrophobicContact CG2-CG 3.09Å; I197-L200 PolarHBondContact O-N 3.31Å |
| 198 | K | 52.9 | Low | 61.7 | Low | 196 Ų | 196 | 134.1 Ų | 134.1 | 85% | 0.852 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 3.5 | 173.7 | -92.4 | -174.5 | 174.8 | -175.4 | 0 | 115.6 | K196 | K196-K198 PolarHBondContact O-N 2.77Š|
| 199 | E | 55.9 | Low | 63 | Low | 131 Ų | 131 | 131.9 Ų | 131.9 | 61% | 0.612 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 3.6 | 168.5 | -89 | -165.4 | 125 | 0 | 0 | 115.1 | I197 G201 K202 | I197-E199 PolarHBondContact O-N 3.12Å; E199-G201 PolarHBondContact O-N 2.74Å; E199-K202 PolarHBondContact O-N 2.73Å; E199-K202 IonicContact OE1-NZ 2.79Å; E199-K202 PolarHBondContact OE1-NZ 3.25Å |
| 200 | L | 55.5 | Low | 64.2 | Low | 129 Ų | 129 | 128.7 Ų | 128.7 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 18.9 | 177.4 | -76.7 | -166.7 | 0 | 0 | 0 | 115.6 | I197 | I197-L200 HydrophobicContact CB-CD1 4.36Å; I197-L200 HydrophobicContact CB-CG 4.36Å; I197-L200 HydrophobicContact CG2-CB 3.78Å; I197-L200 HydrophobicContact CG2-CD1 2.9Å; I197-L200 HydrophobicContact CG2-CD2 4.33Å; I197-L200 HydrophobicContact CG2-CG 3.09Å; I197-L200 PolarHBondContact O-N 3.31Å |
| 201 | G | 56.5 | Low | 64.9 | Low | 73 Ų | 73 | 121.1 Ų | 121.1 | 75% | 0.753 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -4.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113 | E199 E203 | E199-G201 PolarHBondContact O-N 2.74Å; G201-E203 PolarHBondContact O-N 2.8Å |
| 202 | K | 64.7 | Low | 65.7 | Low | 143 Ų | 143 | 120.6 Ų | 120.6 | 62% | 0.622 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -83.9 | 110 | 174.3 | -77.8 | 176.7 | 179 | 166.5 | 0 | 109.1 | E199 F204 | E199-K202 PolarHBondContact O-N 2.73Å; E199-K202 IonicContact OE1-NZ 2.79Å; E199-K202 PolarHBondContact OE1-NZ 3.25Å; K202-F204 PolarHBondContact O-N 2.74Å |
| 203 | E | 72.9 | Confident | 66.3 | Low | 177 Ų | 177 | 121.3 Ų | 121.3 | 83% | 0.827 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 124.8 | 166.5 | -56 | 176.3 | -153 | 0 | 0 | 108.1 | G201 T205 | G201-E203 PolarHBondContact O-N 2.8Å; E203-T205 PolarHBondContact O-N 2.83Å |
| 204 | F | 71.3 | Confident | 66.9 | Low | 156 Ų | 156 | 118.6 Ų | 118.6 | 68% | 0.684 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 121.9 | 173.5 | -74.8 | -86.9 | 0 | 0 | 0 | 108.5 | K202 D208 | K202-F204 PolarHBondContact O-N 2.74Å; F204-D208 HydrophobicContact CD1-CB 4.06Å |
| 205 | T | 72.9 | Confident | 67.4 | Low | 84 Ų | 84 | 122 Ų | 122 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -82.2 | 154.6 | 174.8 | -51.6 | 0 | 0 | 0 | 0 | 109.3 | E203 K207 D208 I209 | E203-T205 PolarHBondContact O-N 2.83Å; T205-K207 HydrophobicContact CG2-CB 4.04Å; T205-K207 PolarHBondContact O-N 3.42Å; T205-D208 PolarHBondContact N-OD2 2.73Å; T205-D208 WeakPolarHBondContact O-CB 3.47Å; T205-D208 PolarHBondContact O-N 3.01Å; T205-I209 PolarHBondContact O-N 2.97Å |
| 206 | L | 74.6 | Confident | 67.9 | Low | 120 Ų | 120 | 125.7 Ų | 125.7 | 63% | 0.628 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -50.8 | -30.4 | 170.6 | -76.3 | 171 | 0 | 0 | 0 | 112.3 | D208 I209 L210 | L206-D208 VanDerWaalsContact C-N 3.35Å; L206-D208 PolarHBondContact O-N 2.98Å; L206-I209 PolarHBondContact O-N 2.73Å; L206-L210 HydrophobicContact CD2-CD1 4.36Å; L206-L210 VanDerWaalsContact O-CB 3.32Å; L206-L210 WeakPolarHBondContact O-CB 3.49Å; L206-L210 PolarHBondContact O-N 3.14Å |
| 207 | K | 71.5 | Confident | 68.1 | Low | 133 Ų | 133 | 118.8 Ų | 118.8 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -56 | -42.8 | 170.6 | -174.7 | 175.8 | -178.8 | 173.4 | 0 | 113.3 | T205 I209 G211 | T205-K207 HydrophobicContact CG2-CB 4.04Å; T205-K207 PolarHBondContact O-N 3.42Å; K207-I209 VanDerWaalsContact C-N 3.28Å; K207-I209 PolarHBondContact O-N 3.42Å; K207-G211 VanDerWaalsContact O-CA 3.29Å; K207-G211 WeakPolarHBondContact O-CA 3.39Å; K207-G211 PolarHBondContact O-N 2.79Å |
| 208 | D | 76.8 | Confident | 68.3 | Low | 87 Ų | 87 | 123.2 Ų | 123.2 | 47% | 0.465 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.9 | -28.5 | -178.6 | -57.1 | -43 | 0 | 0 | 0 | 111.9 | F204 T205 L206 | F204-D208 HydrophobicContact CD1-CB 4.06Å; T205-D208 PolarHBondContact N-OD2 2.73Å; T205-D208 WeakPolarHBondContact O-CB 3.47Å; T205-D208 PolarHBondContact O-N 3.01Å; L206-D208 VanDerWaalsContact C-N 3.35Å; L206-D208 PolarHBondContact O-N 2.98Å |
| 209 | I | 79.5 | Confident | 68.6 | Low | 103 Ų | 103 | 118 Ų | 118 | 53% | 0.528 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -84.6 | -40.6 | -179.1 | -57.3 | 171.5 | 0 | 0 | 0 | 110.8 | T205 L206 K207 | T205-I209 PolarHBondContact O-N 2.97Å; L206-I209 PolarHBondContact O-N 2.73Å; K207-I209 VanDerWaalsContact C-N 3.28Å; K207-I209 PolarHBondContact O-N 3.42Å |
| 210 | L | 78.2 | Confident | 68.8 | Low | 62 Ų | 62 | 118.9 Ų | 118.9 | 33% | 0.325 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -109.2 | -13.2 | -167.6 | -60.2 | 177.2 | 0 | 0 | 0 | 114.2 | L206 H212 R213 V214 L217 | L206-L210 HydrophobicContact CD2-CD1 4.36Å; L206-L210 VanDerWaalsContact O-CB 3.32Å; L206-L210 WeakPolarHBondContact O-CB 3.49Å; L206-L210 PolarHBondContact O-N 3.14Å; L210-H212 PolarHBondContact O-N 3.02Å; L210-H212 VanDerWaalsContact O-N 3.13Å; L210-R213 WeakPolarHBondContact O-CA 3.46Å; L210-R213 PolarHBondContact O-N 3.35Å; L210-V214 PolarHBondContact O-N 3.22Å; L210-L217 HydrophobicContact CB-CD1 3.44Å; L210-L217 VanDerWaalsContact CB-CD1 3.44Å |
| 211 | G | 73.2 | Confident | 68.7 | Low | 33 Ų | 33 | 119.9 Ų | 119.9 | 34% | 0.34 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -25.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K207 | K207-G211 VanDerWaalsContact O-CA 3.29Å; K207-G211 WeakPolarHBondContact O-CA 3.39Å; K207-G211 PolarHBondContact O-N 2.79Å |
| 212 | H | 78.1 | Confident | 68.8 | Low | 181 Ų | 181 | 122.5 Ų | 122.5 | 84% | 0.838 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -18.5 | 173.2 | -64.9 | -57.6 | 0 | 0 | 0 | 114.1 | L210 | L210-H212 PolarHBondContact O-N 3.02Å; L210-H212 VanDerWaalsContact O-N 3.13Å |
| 213 | R | 74.5 | Confident | 68.4 | Low | 207 Ų | 207 | 123.8 Ų | 123.8 | 78% | 0.781 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -29.6 | -176.6 | -64.6 | -175.6 | 179.4 | -166.8 | -0.3 | 112.7 | L210 | L210-R213 WeakPolarHBondContact O-CA 3.46Å; L210-R213 PolarHBondContact O-N 3.35Å |
| 214 | V | 70.2 | Confident | 67.6 | Low | 64 Ų | 64 | 122 Ų | 122 | 39% | 0.388 | 61% | 0.613 | S | S | . | * | | | trans | -128.6 | 90.1 | -177.8 | -171.9 | 0 | 0 | 0 | 0 | 107.7 | L210 E216 L217 | L210-V214 PolarHBondContact O-N 3.22Å; V214-E216 HydrophobicContact CG1-CB 4.29Å; V214-E216 PolarHBondContact O-N 3.33Å; V214-L217 HydrophobicContact CB-CD1 3.78Å; V214-L217 HydrophobicContact CB-CG 4.01Å; V214-L217 HydrophobicContact CG1-CD1 4.36Å; V214-L217 HydrophobicContact CG1-CG 4.04Å; V214-L217 HydrophobicContact CG2-CD1 4.4Å; V214-L217 PolarHBondContact O-N 2.8Å |
| 215 | P | 67.4 | Low | 66.9 | Low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -20.6 | 176.6 | -23.8 | 33.8 | 0 | 0 | 0 | 113.1 | | |
| 216 | E | 65.6 | Low | 66.2 | Low | 171 Ų | 171 | 125.7 Ų | 125.7 | 80% | 0.799 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 9.4 | -176.8 | -58.2 | 176.2 | -177 | 0 | 0 | 113.9 | V214 E218 | V214-E216 HydrophobicContact CG1-CB 4.29Å; V214-E216 PolarHBondContact O-N 3.33Å; E216-E218 PolarHBondContact O-N 3.32Å |
| 217 | L | 63.2 | Low | 65.2 | Low | 49 Ų | 49 | 126.6 Ų | 126.6 | 26% | 0.257 | 64% | 0.637 | S | S | . | * | | | trans | -70.9 | 57.9 | 170.6 | -89.1 | 161.1 | 0 | 0 | 0 | 111.3 | L210 V214 I219 | L210-L217 HydrophobicContact CB-CD1 3.44Å; L210-L217 VanDerWaalsContact CB-CD1 3.44Å; V214-L217 HydrophobicContact CB-CD1 3.78Å; V214-L217 HydrophobicContact CB-CG 4.01Å; V214-L217 HydrophobicContact CG1-CD1 4.36Å; V214-L217 HydrophobicContact CG1-CG 4.04Å; V214-L217 HydrophobicContact CG2-CD1 4.4Å; V214-L217 PolarHBondContact O-N 2.8Å; L217-I219 HydrophobicContact CD2-CD1 3.95Å; L217-I219 HydrophobicContact CD2-CG1 3.99Å; L217-I219 PolarHBondContact O-N 2.85Å |
| 218 | E | 58.2 | Low | 64.5 | Low | 169 Ų | 169 | 129.2 Ų | 129.2 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | | | trans | -85.7 | 84.3 | 163.4 | -72.2 | -177.1 | 173.2 | 0 | 0 | 108 | E216 D220 | E216-E218 PolarHBondContact O-N 3.32Å; E218-D220 PolarHBondContact O-N 3.05Å; E218-D220 VanDerWaalsContact O-N 3.12Å |
| 219 | I | 59.1 | Low | 63.1 | Low | 88 Ų | 88 | 127.4 Ų | 127.4 | 45% | 0.451 | 66% | 0.655 | S | S | . | * | | | trans | -85.8 | 55.4 | 174.9 | -32.8 | 173.2 | 0 | 0 | 0 | 109.7 | L217 N221 I222 | L217-I219 HydrophobicContact CD2-CD1 3.95Å; L217-I219 HydrophobicContact CD2-CG1 3.99Å; L217-I219 PolarHBondContact O-N 2.85Å; I219-N221 PolarHBondContact O-N 2.8Å; I219-I222 HydrophobicContact CG2-CB 4.1Å; I219-I222 HydrophobicContact CG2-CD1 3.49Å; I219-I222 VanDerWaalsContact CG2-CD1 3.49Å; I219-I222 HydrophobicContact CG2-CG1 3.54Å |
| 220 | D | 60.5 | Low | 61.6 | Low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | | | trans | -81.2 | 11 | 173 | -89.1 | -1.3 | 0 | 0 | 0 | 112.5 | E218 | E218-D220 PolarHBondContact O-N 3.05Å; E218-D220 VanDerWaalsContact O-N 3.12Å |
| 221 | N | 55 | Low | 60.3 | Low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | | | trans | -132.1 | 5.8 | -171.7 | -72.8 | -43.5 | 0 | 0 | 0 | 116.8 | I219 K223 | I219-N221 PolarHBondContact O-N 2.8Å; N221-K223 PolarHBondContact O-N 2.98Å |
| 222 | I | 58.2 | Low | 58.9 | Low | 128 Ų | 128 | 147.9 Ų | 147.9 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | trans | -90.5 | 93.9 | 165.8 | -55.5 | 176.9 | 0 | 0 | 0 | 105.9 | I219 D224 | I219-I222 HydrophobicContact CG2-CB 4.1Å; I219-I222 HydrophobicContact CG2-CD1 3.49Å; I219-I222 VanDerWaalsContact CG2-CD1 3.49Å; I219-I222 HydrophobicContact CG2-CG1 3.54Å; I222-D224 PolarHBondContact O-N 3.12Å |
| 223 | K | 55.8 | Low | 58 | Low | 170 Ų | 170 | 146.2 Ų | 146.2 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | | | trans | -56 | 120.1 | 156.9 | -67.2 | -179.2 | -179.9 | -178.7 | 0 | 105.2 | N221 D225 | N221-K223 PolarHBondContact O-N 2.98Å; K223-D225 PolarHBondContact O-N 3.15Å |
| 224 | D | 56.4 | Low | 57.1 | Low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | trans | -57.3 | 96.7 | 157.9 | -72.9 | -38.2 | 0 | 0 | 0 | 105.1 | I222 E226 | I222-D224 PolarHBondContact O-N 3.12Å; D224-E226 HydrophobicContact CB-CG 4.2Å; D224-E226 PolarHBondContact O-N 2.9Å |
| 225 | D | 55.3 | Low | 56.4 | Low | 138 Ų | 138 | 147.4 Ų | 147.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | -68.5 | 69.7 | 163.9 | -73.5 | -24.3 | 0 | 0 | 0 | 106.1 | K223 D227 | K223-D225 PolarHBondContact O-N 3.15Å; D225-D227 PolarHBondContact O-N 3.49Å |
| 226 | E | 58.5 | Low | 55.7 | Low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | | | trans | -67.6 | 62.3 | 158.6 | -71.5 | -166.7 | 162.4 | 0 | 0 | 108.3 | D224 | D224-E226 HydrophobicContact CB-CG 4.2Å; D224-E226 PolarHBondContact O-N 2.9Å |
| 227 | D | 54.5 | Low | 55.1 | Low | 140 Ų | 140 | 147.7 Ų | 147.7 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | trans | -157.4 | 63.1 | 168.5 | -156.3 | 5.5 | 0 | 0 | 0 | 111.8 | D225 | D225-D227 PolarHBondContact O-N 3.49Š|
| 228 | M | 57 | Low | 54.6 | Low | 188 Ų | 188 | 154.3 Ų | 154.3 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | | | trans | -106.5 | 76.2 | 164.6 | -68.1 | -66.7 | -80.3 | 0 | 0 | 109.4 | | |
| 229 | G | 46.4 | Very low | 54.3 | Low | 49 Ų | 49 | 153.2 Ų | 153.2 | 51% | 0.505 | 78% | 0.784 | S | S | . | * | | | trans | 63.4 | 92.5 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | N231 | G229-N231 PolarHBondContact O-N 3.08Š|
| 230 | Q | 49.1 | Very low | 54 | Low | 202 Ų | 202 | 158.2 Ų | 158.2 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | | | trans | -67.1 | 106.1 | 148.6 | -68.1 | -166.2 | -16.8 | 0 | 0 | 108.6 | | |
| 231 | N | 49.5 | Very low | 53.4 | Low | 156 Ų | 156 | 159 Ų | 159 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | -106.7 | 96.4 | 164.6 | -71.9 | -34.6 | 0 | 0 | 0 | 108.1 | G229 | G229-N231 PolarHBondContact O-N 3.08Š|
| 232 | E | 45.4 | Very low | 53.3 | Low | 269 Ų | 269 | 159.8 Ų | 159.8 | 100% | 1.257 | 81% | 0.812 | S | S | * | * | | | trans | -154.1 | 0 | 149.4 | -126.3 | 178.7 | -169.3 | 0 | 0 | 110.4 | | |