| 1 | M | 45.7 | Very low | 47.2 | Very low | 239 Ų | 239 | 136.6 Ų | 136.6 | 100% | 1.177 | 85% | 0.852 | S | S | * | * | | | | 0 | 121.3 | 0 | -62.4 | 180 | 91.7 | 0 | 0 | 107.1 | | |
| 2 | S | 45.3 | Very low | 47.4 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 90% | 0.902 | 85% | 0.853 | S | S | * | * | | | trans | 158.7 | 101.7 | 155.5 | -80.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 3 | T | 47.1 | Very low | 47.5 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 80% | 0.804 | 85% | 0.853 | S | S | * | * | | | trans | -105 | 138.1 | 176.4 | 46.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 4 | S | 42.7 | Very low | 46.6 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 85% | 0.85 | S | S | * | * | | | trans | 80.4 | 162.4 | 147.8 | -56.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 5 | P | 58.8 | Low | 46 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | | | cis | -133.5 | 176.9 | -20.7 | 28.3 | -6.4 | 0 | 0 | 0 | 114.3 | | |
| 6 | G | 43.6 | Very low | 46.1 | Very low | 80 Ų | 80 | 143.4 Ų | 143.4 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | | | trans | 178 | 93.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 7 | A | 49.7 | Very low | 45.7 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 80% | 0.802 | 84% | 0.842 | S | S | * | * | | | trans | -86.1 | 148.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 8 | R | 51 | Low | 45.6 | Very low | 241 Ų | 241 | 146.6 Ų | 146.6 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | | | trans | 156.9 | 95.9 | 149.2 | -88.1 | 162.7 | 170 | -162.2 | -6.3 | 107.4 | | |
| 9 | D | 48.1 | Very low | 45 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | | | | 50.6 | 124.7 | 87.2 | -165.6 | 43.3 | 0 | 0 | 0 | 114.6 | | |
| 10 | G | 44.3 | Very low | 45.1 | Very low | 62 Ų | 62 | 143.6 Ų | 143.6 | 64% | 0.639 | 83% | 0.832 | S | S | * | * | | | trans | 145.3 | 81.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 11 | S | 42.8 | Very low | 45.1 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | | | trans | 21 | 114.9 | 134.2 | -146.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 12 | Q | 49.9 | Very low | 45 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | | -163.6 | 158.8 | 64.9 | -78.5 | -179.9 | -27.5 | 0 | 0 | 110 | | |
| 13 | R | 48.5 | Very low | 44.8 | Very low | 229 Ų | 229 | 141.2 Ų | 141.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -86.7 | 156 | -162.8 | -56.2 | 166.8 | -154.5 | 174.4 | 6.9 | 110.1 | | |
| 14 | S | 35.8 | Very low | 44.3 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | 63.3 | 96.4 | 154 | 60.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 15 | S | 37.2 | Very low | 44.2 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | trans | -43.5 | 170 | 133.9 | -51.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 16 | L | 47.2 | Very low | 43.4 | Very low | 157 Ų | 157 | 144 Ų | 144 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | 93.7 | 94.5 | 172.6 | -46.2 | 178.8 | 0 | 0 | 0 | 111.4 | | |
| 17 | E | 39.3 | Very low | 43.7 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | | 40.7 | 88.6 | 59.1 | -162.1 | -173.1 | 172.4 | 0 | 0 | 111.4 | | |
| 18 | L | 44.3 | Very low | 42.9 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -159.2 | 100.5 | 145.2 | -72.6 | -171.3 | 0 | 0 | 0 | 105.5 | | |
| 19 | D | 34.2 | Very low | 42.6 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | | 87.9 | 142.7 | 84.4 | -167.7 | 39.1 | 0 | 0 | 0 | 112.1 | | |
| 20 | A | 46.7 | Very low | 42.2 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | | | trans | -63.9 | 127.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 21 | E | 45.8 | Very low | 42.1 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -165.1 | 70.2 | 152.1 | -127.8 | 178.2 | 77.9 | 0 | 0 | 113 | S23 | E21-S23 VanDerWaalsContact C-N 3.25Å; E21-S23 PolarHBondContact O-N 3.41Å |
| 22 | H | 42.7 | Very low | 42.1 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | | | trans | -92.1 | 62.3 | 157.5 | -73.4 | 63.5 | 0 | 0 | 0 | 109 | | |
| 23 | S | 40.8 | Very low | 42.2 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | -176 | 89.1 | 163.1 | -89.7 | 0 | 0 | 0 | 0 | 111.3 | E21 | E21-S23 VanDerWaalsContact C-N 3.25Å; E21-S23 PolarHBondContact O-N 3.41Å |
| 24 | Q | 36.8 | Very low | 42.3 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | | | trans | -174.4 | 126.7 | 130.4 | -112.4 | -173.2 | 13 | 0 | 0 | 113.7 | | |
| 25 | K | 41.1 | Very low | 43.3 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | | | | 79.8 | 117 | 126.8 | -152 | 150.6 | 165.8 | -171.3 | 0 | 114.7 | | |
| 26 | V | 40.8 | Very low | 44.3 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | | | | -167.9 | 132.5 | 55 | 169.6 | 0 | 0 | 0 | 0 | 110.1 | G28 | V26-G28 WeakPolarHBondContact CG1-O 3.22Š|
| 27 | P | 50 | Low | 44.9 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | | | trans | -90.1 | 130.7 | 158.4 | 33.1 | -24.8 | 0 | 0 | 0 | 110.7 | | |
| 28 | G | 34.6 | Very low | 45.9 | Very low | 65 Ų | 65 | 122.7 Ų | 122.7 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | | | trans | 87.6 | 141 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V26 | V26-G28 WeakPolarHBondContact CG1-O 3.22Š|
| 29 | A | 43.2 | Very low | 46.7 | Very low | 90 Ų | 90 | 118.3 Ų | 118.3 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | | | cis | -170 | 121.4 | 12.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 30 | E | 40.9 | Very low | 48.5 | Very low | 184 Ų | 184 | 116.2 Ų | 116.2 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | | | trans | 176.2 | 78.6 | 154.9 | 51.5 | -166.8 | 116.4 | 0 | 0 | 111.8 | | |
| 31 | Q | 41.8 | Very low | 49.8 | Very low | 162 Ų | 162 | 117.4 Ų | 117.4 | 76% | 0.757 | 68% | 0.676 | S | S | * | * | | | trans | -122 | 63.1 | 130.2 | -80.5 | -163.2 | 84.7 | 0 | 0 | 106.7 | G33 | Q31-G33 PolarHBondContact O-N 3.19Š|
| 32 | A | 42.6 | Very low | 51.7 | Low | 101 Ų | 101 | 117 Ų | 117 | 84% | 0.835 | 67% | 0.672 | S | S | * | * | | | trans | -63.8 | 113.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 33 | G | 51.1 | Low | 53.7 | Low | 71 Ų | 71 | 113.6 Ų | 113.6 | 73% | 0.732 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 116.4 | -21 | 138.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q31 | Q31-G33 PolarHBondContact O-N 3.19Š|
| 34 | V | 50.6 | Low | 56 | Low | 108 Ų | 108 | 116.9 Ų | 116.9 | 66% | 0.655 | 65% | 0.654 | S | S | * | * | | | trans | -149.5 | 108.6 | 172.5 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | T36 | V34-T36 PolarHBondContact O-N 3.18Š|
| 35 | P | 57.3 | Low | 58.6 | Low | 55 Ų | 55 | 115.3 Ų | 115.3 | 36% | 0.357 | 65% | 0.646 | S | S | . | * | | | trans | -61.3 | 124.5 | 167 | -9 | 21.8 | 0 | 0 | 0 | 106.9 | K40 | P35-K40 HydrophobicContact CB-CD 4.33Å; P35-K40 HydrophobicContact CB-CG 3.66Å; P35-K40 VanDerWaalsContact CD-CE 3.49Å; P35-K40 HydrophobicContact CG-CD 4.43Å; P35-K40 HydrophobicContact CG-CG 4.16Å |
| 36 | T | 57.5 | Low | 61.1 | Low | 66 Ų | 66 | 113.4 Ų | 113.4 | 41% | 0.405 | 64% | 0.638 | S | S | . | * | | | trans | -51.7 | 140 | 173.1 | 57 | 0 | 0 | 0 | 0 | 108.1 | V34 Q38 V39 K40 | V34-T36 PolarHBondContact O-N 3.18Å; T36-Q38 PolarHBondContact O-N 3.19Å; T36-V39 WeakPolarHBondContact O-CA 3.07Å; T36-V39 WeakPolarHBondContact O-CB 3.4Å; T36-V39 PolarHBondContact O-N 3.3Å; T36-V39 WeakPolarHBondContact OG1-CG2 3.23Å; T36-K40 PolarHBondContact O-N 3.37Å |
| 37 | P | 61.1 | Low | 63.6 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 71% | 0.714 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -56.2 | -27.9 | -170.9 | 15.4 | -27.8 | 0 | 0 | 0 | 113.4 | K40 L41 | P37-K40 PolarHBondContact O-N 3.29Å; P37-L41 PolarHBondContact O-N 3.48Å; P37-L41 VanDerWaalsContact O-N 3.14Å |
| 38 | Q | 60.3 | Low | 65.7 | Low | 141 Ų | 141 | 115.1 Ų | 115.1 | 66% | 0.659 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.6 | -42.2 | 170.2 | -84.4 | -84.1 | 46.9 | 0 | 0 | 113.6 | T36 K40 L41 K42 | T36-Q38 PolarHBondContact O-N 3.19Å; Q38-K40 VanDerWaalsContact C-N 3.31Å; Q38-K40 PolarHBondContact O-N 3.49Å; Q38-L41 PolarHBondContact O-N 3.48Å; Q38-K42 WeakPolarHBondContact O-CB 3.48Å; Q38-K42 PolarHBondContact O-N 2.89Å |
| 39 | V | 61.6 | Low | 68.6 | Low | 71 Ų | 71 | 118.3 Ų | 118.3 | 43% | 0.43 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.9 | -34.5 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | T36 K42 E43 | T36-V39 WeakPolarHBondContact O-CA 3.07Å; T36-V39 WeakPolarHBondContact O-CB 3.4Å; T36-V39 PolarHBondContact O-N 3.3Å; T36-V39 WeakPolarHBondContact OG1-CG2 3.23Å; V39-K42 PolarHBondContact O-N 2.8Å; V39-E43 VanDerWaalsContact O-CB 3.23Å; V39-E43 WeakPolarHBondContact O-CB 3.47Å; V39-E43 PolarHBondContact O-N 3.46Å |
| 40 | K | 71.8 | Confident | 71 | Confident | 109 Ų | 109 | 118.4 Ų | 118.4 | 47% | 0.474 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.4 | -37.4 | 172.4 | -61.2 | -168.8 | 173.2 | 174.6 | 0 | 113 | P35 T36 P37 Q38 R44 | P35-K40 HydrophobicContact CB-CD 4.33Å; P35-K40 HydrophobicContact CB-CG 3.66Å; P35-K40 VanDerWaalsContact CD-CE 3.49Å; P35-K40 HydrophobicContact CG-CD 4.43Å; P35-K40 HydrophobicContact CG-CG 4.16Å; T36-K40 PolarHBondContact O-N 3.37Å; P37-K40 PolarHBondContact O-N 3.29Å; Q38-K40 VanDerWaalsContact C-N 3.31Å; Q38-K40 PolarHBondContact O-N 3.49Å; K40-R44 WeakPolarHBondContact O-CB 3.49Å; K40-R44 PolarHBondContact O-N 2.82Å |
| 41 | L | 74.1 | Confident | 73.6 | Confident | 105 Ų | 105 | 111.2 Ų | 111.2 | 55% | 0.55 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.4 | -43.3 | 177.3 | -172.7 | 68 | 0 | 0 | 0 | 110.6 | P37 Q38 R44 Q45 | P37-L41 PolarHBondContact O-N 3.48Å; P37-L41 VanDerWaalsContact O-N 3.14Å; Q38-L41 PolarHBondContact O-N 3.48Å; L41-R44 PolarHBondContact O-N 3.08Å; L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 PolarHBondContact O-N 3Å |
| 42 | K | 84.5 | Confident | 76.2 | Confident | 155 Ų | 155 | 109.6 Ų | 109.6 | 67% | 0.674 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.2 | -40.3 | 175.9 | -175.9 | -178.9 | 166.5 | 179 | 0 | 112.5 | Q38 V39 Q45 K46 | Q38-K42 WeakPolarHBondContact O-CB 3.48Å; Q38-K42 PolarHBondContact O-N 2.89Å; V39-K42 PolarHBondContact O-N 2.8Å; K42-Q45 PolarHBondContact O-N 3.39Å; K42-K46 PolarHBondContact O-N 2.94Å |
| 43 | E | 86.3 | Confident | 78.7 | Confident | 127 Ų | 127 | 109.5 Ų | 109.5 | 59% | 0.593 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.6 | -40.1 | 175.4 | -171.3 | 177.6 | -162 | 0 | 0 | 111.3 | V39 K46 F47 | V39-E43 VanDerWaalsContact O-CB 3.23Å; V39-E43 WeakPolarHBondContact O-CB 3.47Å; V39-E43 PolarHBondContact O-N 3.46Å; E43-K46 PolarHBondContact O-N 2.86Å; E43-F47 PolarHBondContact O-N 3.47Å |
| 44 | R | 88.9 | Confident | 80.9 | Confident | 169 Ų | 169 | 111.8 Ų | 111.8 | 64% | 0.638 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 172.5 | -179.1 | 179.7 | -68.7 | -169.4 | -2.8 | 111.9 | K40 L41 F47 F48 | K40-R44 WeakPolarHBondContact O-CB 3.49Å; K40-R44 PolarHBondContact O-N 2.82Å; L41-R44 PolarHBondContact O-N 3.08Å; R44-F47 WeakPolarHBondContact O-CB 3.44Å; R44-F47 PolarHBondContact O-N 3.36Å; R44-F48 HydrophobicContact CG-CD2 4.02Å; R44-F48 HydrophobicContact CG-CE2 3.59Å; R44-F48 WeakPolarHBondContact O-CD2 3.15Å; R44-F48 PolarHBondContact O-N 3.47Å |
| 45 | Q | 91.1 | Very high | 82.9 | Confident | 122 Ų | 122 | 111.5 Ų | 111.5 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -47.3 | 174.3 | -179.4 | -179.9 | -8 | 0 | 0 | 110.8 | L41 K42 F47 F48 E49 | L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 PolarHBondContact O-N 3Å; K42-Q45 PolarHBondContact O-N 3.39Å; Q45-F47 VanDerWaalsContact C-N 3.26Å; Q45-F47 PolarHBondContact O-N 2.96Å; Q45-F48 PolarHBondContact O-N 3.24Å; Q45-E49 PolarHBondContact O-N 3.14Å |
| 46 | K | 94.2 | Very high | 84.7 | Confident | 129 Ų | 129 | 112.7 Ų | 112.7 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.8 | -38.4 | 176.3 | -166.5 | -142.7 | 170.5 | -136 | 0 | 112.1 | K42 E43 E49 E50 | K42-K46 PolarHBondContact O-N 2.94Å; E43-K46 PolarHBondContact O-N 2.86Å; K46-E49 PolarHBondContact O-N 2.84Å; K46-E50 IonicContact NZ-OE2 2.8Å; K46-E50 PolarHBondContact NZ-OE2 3.47Å; K46-E50 VanDerWaalsContact O-CB 3.27Å; K46-E50 WeakPolarHBondContact O-CB 3.18Å; K46-E50 PolarHBondContact O-N 3.32Å |
| 47 | F | 92.4 | Very high | 86.3 | Confident | 142 Ų | 142 | 114.5 Ų | 114.5 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -42.2 | 178.2 | -177.3 | -91.9 | 0 | 0 | 0 | 112.7 | E43 R44 Q45 A51 | E43-F47 PolarHBondContact O-N 3.47Å; R44-F47 WeakPolarHBondContact O-CB 3.44Å; R44-F47 PolarHBondContact O-N 3.36Å; Q45-F47 VanDerWaalsContact C-N 3.26Å; Q45-F47 PolarHBondContact O-N 2.96Å; F47-A51 WeakPolarHBondContact O-CB 3.38Å; F47-A51 PolarHBondContact O-N 3.24Å |
| 48 | F | 94.4 | Very high | 87.7 | Confident | 136 Ų | 136 | 115.1 Ų | 115.1 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70 | -37.7 | 177.6 | -73.6 | -65.9 | 0 | 0 | 0 | 112.4 | R44 Q45 A51 F52 | R44-F48 HydrophobicContact CG-CD2 4.02Å; R44-F48 HydrophobicContact CG-CE2 3.59Å; R44-F48 WeakPolarHBondContact O-CD2 3.15Å; R44-F48 PolarHBondContact O-N 3.47Å; Q45-F48 PolarHBondContact O-N 3.24Å; F48-A51 PolarHBondContact O-N 2.79Å; F48-F52 WeakPolarHBondContact O-CB 3.33Å; F48-F52 PolarHBondContact O-N 3.18Å |
| 49 | E | 94.8 | Very high | 89.1 | Confident | 131 Ų | 131 | 116.9 Ų | 116.9 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 175.1 | -171.6 | 141.6 | -138.7 | 0 | 0 | 111.7 | Q45 K46 F52 Q53 | Q45-E49 PolarHBondContact O-N 3.14Å; K46-E49 PolarHBondContact O-N 2.84Å; E49-F52 PolarHBondContact O-N 3.18Å; E49-Q53 WeakPolarHBondContact O-CB 3.33Å; E49-Q53 PolarHBondContact O-N 3.21Å |
| 50 | E | 94.8 | Very high | 90.2 | Very high | 92 Ų | 92 | 117.4 Ų | 117.4 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 174.6 | -171.4 | 172.8 | 157.6 | 0 | 0 | 112.2 | K46 Q53 Q54 | K46-E50 IonicContact NZ-OE2 2.8Å; K46-E50 PolarHBondContact NZ-OE2 3.47Å; K46-E50 VanDerWaalsContact O-CB 3.27Å; K46-E50 WeakPolarHBondContact O-CB 3.18Å; K46-E50 PolarHBondContact O-N 3.32Å; E50-Q53 PolarHBondContact O-N 3.42Å; E50-Q54 PolarHBondContact O-N 2.97Å |
| 51 | A | 95.5 | Very high | 90.4 | Very high | 33 Ų | 33 | 116.7 Ų | 116.7 | 27% | 0.273 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F47 F48 Q54 D55 | F47-A51 WeakPolarHBondContact O-CB 3.38Å; F47-A51 PolarHBondContact O-N 3.24Å; F48-A51 PolarHBondContact O-N 2.79Å; A51-Q54 PolarHBondContact O-N 3.33Å; A51-D55 PolarHBondContact O-N 2.8Å |
| 52 | F | 95.7 | Very high | 90.2 | Very high | 128 Ų | 128 | 117 Ų | 117 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.8 | -42.2 | 176.3 | -179.7 | -98 | 0 | 0 | 0 | 111.8 | F48 E49 Q54 D55 M56 | F48-F52 WeakPolarHBondContact O-CB 3.33Å; F48-F52 PolarHBondContact O-N 3.18Å; E49-F52 PolarHBondContact O-N 3.18Å; F52-Q54 VanDerWaalsContact C-N 3.31Å; F52-Q54 PolarHBondContact O-N 3.25Å; F52-D55 PolarHBondContact O-N 3.36Å; F52-M56 HydrophobicContact CD1-CG 4.29Å; F52-M56 HydrophobicContact CD1-SD 4.4Å; F52-M56 HydrophobicContact CE1-CG 3.75Å; F52-M56 HydrophobicContact CE1-SD 3.44Å; F52-M56 WeakPolarHBondContact CE1-SD 3.27Å; F52-M56 HydrophobicContact CE2-CG 4.33Å; F52-M56 HydrophobicContact CZ-CG 3.77Å; F52-M56 HydrophobicContact CZ-SD 3.6Å; F52-M56 WeakPolarHBondContact O-CB 3.4Å; F52-M56 PolarHBondContact O-N 3.44Å |
| 53 | Q | 95.6 | Very high | 89.2 | Confident | 100 Ų | 100 | 112.5 Ų | 112.5 | 47% | 0.467 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.3 | -43 | 175.6 | -170.1 | 63.4 | 41.7 | 0 | 0 | 111.3 | E49 E50 M56 E57 | E49-Q53 WeakPolarHBondContact O-CB 3.33Å; E49-Q53 PolarHBondContact O-N 3.21Å; E50-Q53 PolarHBondContact O-N 3.42Å; Q53-M56 PolarHBondContact O-N 3.06Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.49Å; Q53-E57 PolarHBondContact NE2-OE1 2.91Å; Q53-E57 VanDerWaalsContact NE2-OE1 3.17Å; Q53-E57 WeakPolarHBondContact O-CB 3.44Å; Q53-E57 VanDerWaalsContact O-CG 3.27Å; Q53-E57 WeakPolarHBondContact O-CG 3.34Å; Q53-E57 PolarHBondContact O-N 3.5Å |
| 54 | Q | 95.6 | Very high | 87.9 | Confident | 118 Ų | 118 | 115.2 Ų | 115.2 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.3 | -45.4 | 174 | -78.3 | -171.9 | -8.2 | 0 | 0 | 113 | E50 A51 F52 M56 E57 Q58 | E50-Q54 PolarHBondContact O-N 2.97Å; A51-Q54 PolarHBondContact O-N 3.33Å; F52-Q54 VanDerWaalsContact C-N 3.31Å; F52-Q54 PolarHBondContact O-N 3.25Å; Q54-M56 VanDerWaalsContact C-N 3.3Å; Q54-M56 PolarHBondContact O-N 3.19Å; Q54-E57 PolarHBondContact O-N 3.3Å; Q54-Q58 WeakPolarHBondContact O-CB 3.27Å; Q54-Q58 PolarHBondContact O-N 2.94Å |
| 55 | D | 93.8 | Very high | 86.5 | Confident | 103 Ų | 103 | 113.6 Ų | 113.6 | 55% | 0.551 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61 | -42 | 179.1 | -82.6 | 5.7 | 0 | 0 | 0 | 111.1 | A51 F52 Q58 Y59 | A51-D55 PolarHBondContact O-N 2.8Å; F52-D55 PolarHBondContact O-N 3.36Å; D55-Q58 PolarHBondContact O-N 3.45Å; D55-Y59 WeakPolarHBondContact O-CB 3.13Å; D55-Y59 PolarHBondContact O-N 3.41Å |
| 56 | M | 94.1 | Very high | 85 | Confident | 79 Ų | 79 | 116.2 Ų | 116.2 | 39% | 0.389 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.7 | -46.2 | 175.1 | -84.4 | -148 | 53 | 0 | 0 | 112.7 | F52 Q53 Q54 Q58 Y59 L60 | F52-M56 HydrophobicContact CD1-CG 4.29Å; F52-M56 HydrophobicContact CD1-SD 4.4Å; F52-M56 HydrophobicContact CE1-CG 3.75Å; F52-M56 HydrophobicContact CE1-SD 3.44Å; F52-M56 WeakPolarHBondContact CE1-SD 3.27Å; F52-M56 HydrophobicContact CE2-CG 4.33Å; F52-M56 HydrophobicContact CZ-CG 3.77Å; F52-M56 HydrophobicContact CZ-SD 3.6Å; F52-M56 WeakPolarHBondContact O-CB 3.4Å; F52-M56 PolarHBondContact O-N 3.44Å; Q53-M56 PolarHBondContact O-N 3.06Å; Q54-M56 VanDerWaalsContact C-N 3.3Å; Q54-M56 PolarHBondContact O-N 3.19Å; M56-Q58 VanDerWaalsContact C-N 3.28Å; M56-Q58 PolarHBondContact O-N 3.44Å; M56-Y59 PolarHBondContact O-N 2.91Å; M56-L60 HydrophobicContact CE-CD1 4.47Å; M56-L60 WeakPolarHBondContact O-CG 3.47Å; M56-L60 PolarHBondContact O-N 2.93Å |
| 57 | E | 91.4 | Very high | 83.3 | Confident | 105 Ų | 105 | 116.9 Ų | 116.9 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.9 | -39.2 | 176.3 | -76.5 | 172.5 | -163.1 | 0 | 0 | 111.3 | Q53 Q54 S61 | Q53-E57 WeakPolarHBondContact CG-OE1 3.49Å; Q53-E57 PolarHBondContact NE2-OE1 2.91Å; Q53-E57 VanDerWaalsContact NE2-OE1 3.17Å; Q53-E57 WeakPolarHBondContact O-CB 3.44Å; Q53-E57 VanDerWaalsContact O-CG 3.27Å; Q53-E57 WeakPolarHBondContact O-CG 3.34Å; Q53-E57 PolarHBondContact O-N 3.5Å; Q54-E57 PolarHBondContact O-N 3.3Å; E57-S61 WeakPolarHBondContact O-CB 3.37Å; E57-S61 PolarHBondContact O-N 3.28Å; E57-S61 PolarHBondContact O-OG 3.25Å |
| 58 | Q | 90.6 | Very high | 81.5 | Confident | 123 Ų | 123 | 115 Ų | 115 | 58% | 0.575 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.8 | -44.5 | 176 | -172.8 | -179 | 41 | 0 | 0 | 112 | Q54 D55 M56 L60 S61 T62 | Q54-Q58 WeakPolarHBondContact O-CB 3.27Å; Q54-Q58 PolarHBondContact O-N 2.94Å; D55-Q58 PolarHBondContact O-N 3.45Å; M56-Q58 VanDerWaalsContact C-N 3.28Å; M56-Q58 PolarHBondContact O-N 3.44Å; Q58-L60 VanDerWaalsContact C-N 3.35Å; Q58-L60 PolarHBondContact O-N 2.99Å; Q58-S61 PolarHBondContact O-N 2.91Å; Q58-T62 HydrophobicContact CG-CG2 4.4Å; Q58-T62 WeakPolarHBondContact O-CB 3.41Å; Q58-T62 WeakPolarHBondContact O-CG2 3.12Å; Q58-T62 PolarHBondContact O-N 3.45Å; Q58-T62 PolarHBondContact O-OG1 3.08Å |
| 59 | Y | 89.8 | Confident | 79.6 | Confident | 178 Ų | 178 | 117.9 Ų | 117.9 | 70% | 0.698 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.9 | -46.4 | 178 | 176.5 | -102.4 | 0 | 0 | 0 | 111.3 | D55 M56 T62 G63 | D55-Y59 WeakPolarHBondContact O-CB 3.13Å; D55-Y59 PolarHBondContact O-N 3.41Å; M56-Y59 PolarHBondContact O-N 2.91Å; Y59-T62 PolarHBondContact O-OG1 3.43Å; Y59-G63 PolarHBondContact O-N 3.43Å |
| 60 | L | 85.9 | Confident | 77.6 | Confident | 82 Ų | 82 | 122.7 Ų | 122.7 | 43% | 0.429 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.4 | -46.7 | 176.8 | -65.8 | 174.1 | 0 | 0 | 0 | 111.4 | M56 Q58 T62 G63 Y64 | M56-L60 HydrophobicContact CE-CD1 4.47Å; M56-L60 WeakPolarHBondContact O-CG 3.47Å; M56-L60 PolarHBondContact O-N 2.93Å; Q58-L60 VanDerWaalsContact C-N 3.35Å; Q58-L60 PolarHBondContact O-N 2.99Å; L60-T62 VanDerWaalsContact C-N 3.26Å; L60-T62 PolarHBondContact O-N 3.17Å; L60-G63 PolarHBondContact O-N 2.94Å; L60-G63 VanDerWaalsContact O-N 3.09Å; L60-Y64 HydrophobicContact CB-CE2 4.48Å; L60-Y64 WeakPolarHBondContact O-CD2 3.34Å; L60-Y64 PolarHBondContact O-N 3.02Å |
| 61 | S | 75.7 | Confident | 76 | Confident | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.2 | -33 | -178.2 | -62.9 | 0 | 0 | 0 | 0 | 113.4 | E57 Q58 | E57-S61 WeakPolarHBondContact O-CB 3.37Å; E57-S61 PolarHBondContact O-N 3.28Å; E57-S61 PolarHBondContact O-OG 3.25Å; Q58-S61 PolarHBondContact O-N 2.91Å |
| 62 | T | 68.2 | Low | 74.5 | Confident | 112 Ų | 112 | 132 Ų | 132 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -89.2 | -19.1 | 176.7 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | Q58 Y59 L60 | Q58-T62 HydrophobicContact CG-CG2 4.4Å; Q58-T62 WeakPolarHBondContact O-CB 3.41Å; Q58-T62 WeakPolarHBondContact O-CG2 3.12Å; Q58-T62 PolarHBondContact O-N 3.45Å; Q58-T62 PolarHBondContact O-OG1 3.08Å; Y59-T62 PolarHBondContact O-OG1 3.43Å; L60-T62 VanDerWaalsContact C-N 3.26Å; L60-T62 PolarHBondContact O-N 3.17Å |
| 63 | G | 63.6 | Low | 72.6 | Confident | 59 Ų | 59 | 131.8 Ų | 131.8 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -82.9 | -15.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y59 L60 L65 | Y59-G63 PolarHBondContact O-N 3.43Å; L60-G63 PolarHBondContact O-N 2.94Å; L60-G63 VanDerWaalsContact O-N 3.09Å; G63-L65 PolarHBondContact O-N 3.34Å |
| 64 | Y | 60.6 | Low | 71 | Confident | 184 Ų | 184 | 135.2 Ų | 135.2 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | | | trans | -78.8 | 83.5 | 173.4 | -81.1 | -79.3 | 0 | 0 | 0 | 111.1 | L60 Q66 | L60-Y64 HydrophobicContact CB-CE2 4.48Å; L60-Y64 WeakPolarHBondContact O-CD2 3.34Å; L60-Y64 PolarHBondContact O-N 3.02Å; Y64-Q66 PolarHBondContact O-N 3.43Å |
| 65 | L | 59.6 | Low | 69.1 | Low | 135 Ų | 135 | 135.3 Ų | 135.3 | 71% | 0.707 | 70% | 0.7 | S | S | * | * | | | trans | -62.5 | 107.7 | 157.3 | -169.2 | 65 | 0 | 0 | 0 | 106.9 | G63 I67 | G63-L65 PolarHBondContact O-N 3.34Å; L65-I67 HydrophobicContact CB-CG1 4.24Å; L65-I67 HydrophobicContact CD2-CD1 4.07Å; L65-I67 HydrophobicContact CD2-CG1 3.88Å; L65-I67 HydrophobicContact CG-CG1 3.87Å; L65-I67 PolarHBondContact O-N 3.4Å |
| 66 | Q | 59.7 | Low | 67.2 | Low | 177 Ų | 177 | 134.8 Ų | 134.8 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | | | trans | -63.1 | 84.8 | 169.2 | -86.9 | 179.3 | 1.7 | 0 | 0 | 108.8 | Y64 T68 | Y64-Q66 PolarHBondContact O-N 3.43Å; Q66-T68 PolarHBondContact O-N 3.04Å; Q66-T68 VanDerWaalsContact O-N 3.12Å |
| 67 | I | 57.9 | Low | 65.6 | Low | 144 Ų | 144 | 139.4 Ų | 139.4 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | | | trans | -84.8 | 52.2 | 166.5 | -44 | 175.6 | 0 | 0 | 0 | 108 | L65 | L65-I67 HydrophobicContact CB-CG1 4.24Å; L65-I67 HydrophobicContact CD2-CD1 4.07Å; L65-I67 HydrophobicContact CD2-CG1 3.88Å; L65-I67 HydrophobicContact CG-CG1 3.87Å; L65-I67 PolarHBondContact O-N 3.4Å |
| 68 | T | 53.4 | Low | 64.4 | Low | 103 Ų | 103 | 141 Ų | 141 | 63% | 0.632 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -124 | 79.3 | 171.8 | 28 | 0 | 0 | 0 | 0 | 108.3 | Q66 R70 | Q66-T68 PolarHBondContact O-N 3.04Å; Q66-T68 VanDerWaalsContact O-N 3.12Å; T68-R70 PolarHBondContact O-N 3.41Å |
| 69 | E | 55.5 | Low | 63.5 | Low | 195 Ų | 195 | 139.8 Ų | 139.8 | 91% | 0.911 | 74% | 0.735 | S | S | * | * | | | trans | 45.7 | 46.9 | 138.8 | -157.2 | -166.4 | 174.5 | 0 | 0 | 116.5 | | |
| 70 | R | 53.3 | Low | 62.9 | Low | 233 Ų | 233 | 134.9 Ų | 134.9 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | | | trans | -141.4 | 83.8 | 167.5 | -65.5 | -163.5 | -161.4 | -153.5 | 11 | 112.4 | T68 G72 | T68-R70 PolarHBondContact O-N 3.41Å; R70-G72 PolarHBondContact O-N 3.43Å |
| 71 | R | 61.5 | Low | 62 | Low | 254 Ų | 254 | 135.6 Ų | 135.6 | 96% | 0.958 | 73% | 0.728 | S | S | * | * | | | trans | 13.4 | 92.6 | 139.1 | -168.6 | -165.9 | 69.5 | -153.8 | 0 | 115 | | |
| 72 | G | 62.3 | Low | 61.7 | Low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | | | trans | 171.3 | 86.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R70 | R70-G72 PolarHBondContact O-N 3.43Š|
| 73 | S | 57.1 | Low | 61.6 | Low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | | | trans | 41.2 | 91.5 | 150.6 | -61.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 74 | M | 61.5 | Low | 62.1 | Low | 173 Ų | 173 | 139.3 Ų | 139.3 | 85% | 0.852 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -139.3 | 99.4 | 143.7 | -70.6 | -168.8 | -73.6 | 0 | 0 | 108.8 | | |
| 75 | S | 55.4 | Low | 62.5 | Low | 120 Ų | 120 | 137.1 Ų | 137.1 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | | | trans | 49.1 | 68.6 | 158.4 | -170.3 | 0 | 0 | 0 | 0 | 117.3 | M77 | S75-M77 PolarHBondContact O-N 3.48Š|
| 76 | S | 54.8 | Low | 62.7 | Low | 92 Ų | 92 | 136.5 Ų | 136.5 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | | | trans | -80.5 | 90.9 | 157.9 | -54.9 | 0 | 0 | 0 | 0 | 108.6 | E78 | S76-E78 VanDerWaalsContact CB-OE1 3.24Å; S76-E78 WeakPolarHBondContact CB-OE1 3.4Å; S76-E78 PolarHBondContact O-N 3.24Å |
| 77 | M | 58.9 | Low | 63 | Low | 175 Ų | 175 | 133.4 Ų | 133.4 | 86% | 0.862 | 70% | 0.696 | S | S | * | * | | | trans | -76.6 | 65.1 | 148 | -168.1 | 153.3 | 68.5 | 0 | 0 | 106.3 | S75 V79 | S75-M77 PolarHBondContact O-N 3.48Å; M77-V79 PolarHBondContact O-N 2.93Å; M77-V79 VanDerWaalsContact O-N 3.15Å |
| 78 | E | 66.6 | Low | 63.1 | Low | 140 Ų | 140 | 131.9 Ų | 131.9 | 65% | 0.654 | 69% | 0.69 | S | S | * | * | | | trans | -73 | 105.2 | 171.5 | 57.3 | -167.3 | 117.2 | 0 | 0 | 106.4 | S76 N80 | S76-E78 VanDerWaalsContact CB-OE1 3.24Å; S76-E78 WeakPolarHBondContact CB-OE1 3.4Å; S76-E78 PolarHBondContact O-N 3.24Å; E78-N80 PolarHBondContact O-N 3.43Å |
| 79 | V | 72.6 | Confident | 63.4 | Low | 97 Ų | 97 | 133.5 Ų | 133.5 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | | | trans | -71.5 | 115 | 164.9 | 177.6 | 0 | 0 | 0 | 0 | 105.2 | M77 V81 L84 | M77-V79 PolarHBondContact O-N 2.93Å; M77-V79 VanDerWaalsContact O-N 3.15Å; V79-V81 VanDerWaalsContact C-N 3.34Å; V79-V81 PolarHBondContact O-N 3.3Å; V79-L84 HydrophobicContact CG1-CD2 4.47Å |
| 80 | N | 76.8 | Confident | 63.6 | Low | 75 Ų | 75 | 130.1 Ų | 130.1 | 40% | 0.401 | 68% | 0.68 | S | S | . | * | | | trans | -64.6 | 96.3 | 175.9 | -62.3 | -27.8 | 0 | 0 | 0 | 108.5 | E78 D82 M83 L84 | E78-N80 PolarHBondContact O-N 3.43Å; N80-D82 PolarHBondContact O-N 3.47Å; N80-M83 HydrophobicContact CB-CB 4.09Å; N80-M83 HydrophobicContact CB-CE 4.05Å; N80-M83 HydrophobicContact CB-CG 3.8Å; N80-M83 HydrophobicContact CB-SD 4.38Å; N80-M83 WeakPolarHBondContact ND2-CE 3.45Å; N80-M83 PolarHBondContact O-N 3.3Å; N80-L84 PolarHBondContact O-N 2.96Å; N80-L84 VanDerWaalsContact O-N 3.16Å |
| 81 | V | 67 | Low | 64.1 | Low | 97 Ų | 97 | 124.9 Ų | 124.9 | 59% | 0.588 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -55.9 | -33 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | V79 M83 L84 E85 | V79-V81 VanDerWaalsContact C-N 3.34Å; V79-V81 PolarHBondContact O-N 3.3Å; V81-M83 VanDerWaalsContact C-N 3.32Å; V81-M83 PolarHBondContact O-N 3.09Å; V81-L84 CarbonylContact O-C 3.58Å; V81-L84 WeakPolarHBondContact O-CB 3.24Å; V81-L84 PolarHBondContact O-N 3.26Å; V81-L84 VanDerWaalsContact O-N 3.1Å; V81-E85 WeakPolarHBondContact O-CB 3.38Å; V81-E85 PolarHBondContact O-N 3.22Å |
| 82 | D | 69.3 | Low | 63.9 | Low | 120 Ų | 120 | 120.1 Ų | 120.1 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.8 | -28.6 | 176.9 | -51.5 | -27.4 | 0 | 0 | 0 | 114 | N80 Q86 | N80-D82 PolarHBondContact O-N 3.47Å; D82-Q86 PolarHBondContact O-N 3Å |
| 83 | M | 66.7 | Low | 63.7 | Low | 126 Ų | 126 | 121.3 Ų | 121.3 | 62% | 0.621 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.6 | -28.1 | 172.9 | -61.3 | -162.9 | -39.1 | 0 | 0 | 111.3 | N80 V81 M87 | N80-M83 HydrophobicContact CB-CB 4.09Å; N80-M83 HydrophobicContact CB-CE 4.05Å; N80-M83 HydrophobicContact CB-CG 3.8Å; N80-M83 HydrophobicContact CB-SD 4.38Å; N80-M83 WeakPolarHBondContact ND2-CE 3.45Å; N80-M83 PolarHBondContact O-N 3.3Å; V81-M83 VanDerWaalsContact C-N 3.32Å; V81-M83 PolarHBondContact O-N 3.09Å; M83-M87 PolarHBondContact O-N 2.84Å |
| 84 | L | 74.4 | Confident | 63.9 | Low | 96 Ų | 96 | 119.6 Ų | 119.6 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -75.4 | -39 | 177.7 | -157.8 | 69.9 | 0 | 0 | 0 | 111.5 | V79 N80 V81 M87 D88 | V79-L84 HydrophobicContact CG1-CD2 4.47Å; N80-L84 PolarHBondContact O-N 2.96Å; N80-L84 VanDerWaalsContact O-N 3.16Å; V81-L84 CarbonylContact O-C 3.58Å; V81-L84 WeakPolarHBondContact O-CB 3.24Å; V81-L84 PolarHBondContact O-N 3.26Å; V81-L84 VanDerWaalsContact O-N 3.1Å; L84-M87 HydrophobicContact CD1-CE 4.01Å; L84-M87 PolarHBondContact O-N 2.87Å; L84-D88 PolarHBondContact O-N 3.41Å |
| 85 | E | 69.4 | Low | 63.8 | Low | 138 Ų | 138 | 118.4 Ų | 118.4 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.6 | -33.2 | 175.7 | -173.2 | 174.8 | -162.8 | 0 | 0 | 111.8 | V81 L89 | V81-E85 WeakPolarHBondContact O-CB 3.38Å; V81-E85 PolarHBondContact O-N 3.22Å; E85-L89 PolarHBondContact O-N 3.41Å |
| 86 | Q | 63.6 | Low | 64.1 | Low | 123 Ų | 123 | 120.5 Ų | 120.5 | 58% | 0.575 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.9 | -24.9 | 173.3 | -83.3 | -165.8 | 92.7 | 0 | 0 | 114.1 | D82 M90 | D82-Q86 PolarHBondContact O-N 3Å; Q86-M90 WeakPolarHBondContact O-CG 3.48Å; Q86-M90 PolarHBondContact O-N 2.65Å |
| 87 | M | 64.2 | Low | 64.3 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 55% | 0.547 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.7 | -40.7 | 175.6 | -169.8 | 178.7 | 69.7 | 0 | 0 | 111.4 | M83 L84 M90 D91 | M83-M87 PolarHBondContact O-N 2.84Å; L84-M87 HydrophobicContact CD1-CE 4.01Å; L84-M87 PolarHBondContact O-N 2.87Å; M87-M90 PolarHBondContact O-N 2.88Å; M87-D91 PolarHBondContact O-N 2.93Å |
| 88 | D | 60.9 | Low | 64.3 | Low | 113 Ų | 113 | 116 Ų | 116 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.7 | -32.8 | -179.4 | -160.6 | 30 | 0 | 0 | 0 | 112.5 | L84 | L84-D88 PolarHBondContact O-N 3.41Å |
| 89 | L | 60.7 | Low | 63.9 | Low | 137 Ų | 137 | 113 Ų | 113 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -76.2 | -27.4 | 177.2 | -168.8 | 59.6 | 0 | 0 | 0 | 113.1 | E85 | E85-L89 PolarHBondContact O-N 3.41Å |
| 90 | M | 59 | Low | 63.3 | Low | 124 Ų | 124 | 113 Ų | 113 | 61% | 0.611 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78 | -34.3 | 176.3 | -75.2 | -168.9 | 163.1 | 0 | 0 | 112.6 | Q86 M87 M92 S93 | Q86-M90 WeakPolarHBondContact O-CG 3.48Å; Q86-M90 PolarHBondContact O-N 2.65Å; M87-M90 PolarHBondContact O-N 2.88Å; M90-M92 VanDerWaalsContact C-N 3.26Å; M90-M92 PolarHBondContact O-N 3.12Å; M90-S93 PolarHBondContact O-N 3.35Å; M90-S93 VanDerWaalsContact O-N 3.08Å; M90-S93 PolarHBondContact O-OG 3.3Å |
| 91 | D | 62.6 | Low | 62.5 | Low | 122 Ų | 122 | 117.9 Ų | 117.9 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.2 | -22.1 | -179.9 | -85.7 | -4.1 | 0 | 0 | 0 | 113.7 | M87 | M87-D91 PolarHBondContact O-N 2.93Å |
| 92 | M | 58.3 | Low | 62.3 | Low | 155 Ų | 155 | 119.9 Ų | 119.9 | 76% | 0.764 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -10.1 | 173.3 | -66.2 | -67.5 | -165.7 | 0 | 0 | 113.7 | M90 | M90-M92 VanDerWaalsContact C-N 3.26Å; M90-M92 PolarHBondContact O-N 3.12Å |
| 93 | S | 57.1 | Low | 61.7 | Low | 90 Ų | 90 | 121 Ų | 121 | 63% | 0.629 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -16 | -178.2 | 74.9 | 0 | 0 | 0 | 0 | 113.8 | M90 H95 | M90-S93 PolarHBondContact O-N 3.35Å; M90-S93 VanDerWaalsContact O-N 3.08Å; M90-S93 PolarHBondContact O-OG 3.3Å; S93-H95 PolarHBondContact O-N 3.31Å |
| 94 | D | 62.9 | Low | 61.2 | Low | 87 Ų | 87 | 119.7 Ų | 119.7 | 47% | 0.465 | 62% | 0.623 | S | S | . | * | | | trans | -81.4 | 64.7 | 172.5 | -169.8 | 8.2 | 0 | 0 | 0 | 111.1 | E96 A97 | D94-E96 PolarHBondContact O-N 3.41Å; D94-E96 PolarHBondContact OD1-N 3.33Å; D94-A97 PolarHBondContact O-N 3.09Å; D94-A97 PolarHBondContact OD1-N 2.79Å; D94-A97 WeakPolarHBondContact OD2-CB 3.49Å |
| 95 | H | 57.8 | Low | 60.5 | Low | 148 Ų | 148 | 118.9 Ų | 118.9 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -0.1 | 173.5 | -159.5 | -63.9 | 0 | 0 | 0 | 112 | S93 | S93-H95 PolarHBondContact O-N 3.31Š|
| 96 | E | 61.7 | Low | 59.9 | Low | 165 Ų | 165 | 115.1 Ų | 115.1 | 77% | 0.771 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -25.4 | 176.6 | -57.7 | -162.4 | 138.5 | 0 | 0 | 112.2 | D94 L98 D99 | D94-E96 PolarHBondContact O-N 3.41Å; D94-E96 PolarHBondContact OD1-N 3.33Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.27Å; E96-D99 PolarHBondContact O-N 3.44Å |
| 97 | A | 58.9 | Low | 59.5 | Low | 49 Ų | 49 | 117.9 Ų | 117.9 | 41% | 0.405 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -23.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D94 | D94-A97 PolarHBondContact O-N 3.09Å; D94-A97 PolarHBondContact OD1-N 2.79Å; D94-A97 WeakPolarHBondContact OD2-CB 3.49Å |
| 98 | L | 59.7 | Low | 59 | Low | 123 Ų | 123 | 118.9 Ų | 118.9 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -14.6 | 180 | -61.2 | -178.2 | 0 | 0 | 0 | 113.4 | E96 | E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.27Å |
| 99 | D | 58.7 | Low | 58.4 | Low | 76 Ų | 76 | 120 Ų | 120 | 41% | 0.406 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.7 | -15 | -175.4 | -139.9 | -2.4 | 0 | 0 | 0 | 113 | E96 F101 L102 H103 | E96-D99 PolarHBondContact O-N 3.44Å; D99-F101 VanDerWaalsContact C-N 3.29Å; D99-F101 PolarHBondContact O-N 3.42Å; D99-L102 PolarHBondContact O-N 3.18Å; D99-H103 VanDerWaalsContact CG-CE1 3.4Å; D99-H103 PolarHBondContact O-N 3.3Å; D99-H103 PolarHBondContact O-ND1 3.29Å; D99-H103 IonicContact OD1-CE1 3.33Å; D99-H103 PolarHBondContact OD1-CE1 3.07Å; D99-H103 IonicContact OD1-ND1 3.48Å; D99-H103 PolarHBondContact OD1-ND1 3.49Å; D99-H103 IonicContact OD2-CE1 3.47Å; D99-H103 PolarHBondContact OD2-CE1 3.26Å |
| 100 | V | 60.6 | Low | 58.2 | Low | 97 Ų | 97 | 118.8 Ų | 118.8 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -33 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 101 | F | 59.1 | Low | 57.7 | Low | 179 Ų | 179 | 117.5 Ų | 117.5 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -27.3 | 179.1 | -77.1 | -84.7 | 0 | 0 | 0 | 113.2 | D99 | D99-F101 VanDerWaalsContact C-N 3.29Å; D99-F101 PolarHBondContact O-N 3.42Å |
| 102 | L | 62.4 | Low | 56.8 | Low | 139 Ų | 139 | 116.5 Ų | 116.5 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -20.6 | -179.4 | -70.5 | 167.3 | 0 | 0 | 0 | 112.7 | D99 S104 | D99-L102 PolarHBondContact O-N 3.18Å; L102-S104 VanDerWaalsContact C-N 3.34Å |
| 103 | H | 56.6 | Low | 56.1 | Low | 142 Ų | 142 | 114.7 Ų | 114.7 | 66% | 0.657 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -8.2 | 173.4 | -71.6 | 88.2 | 0 | 0 | 0 | 114.2 | D99 | D99-H103 VanDerWaalsContact CG-CE1 3.4Å; D99-H103 PolarHBondContact O-N 3.3Å; D99-H103 PolarHBondContact O-ND1 3.29Å; D99-H103 IonicContact OD1-CE1 3.33Å; D99-H103 PolarHBondContact OD1-CE1 3.07Å; D99-H103 IonicContact OD1-ND1 3.48Å; D99-H103 PolarHBondContact OD1-ND1 3.49Å; D99-H103 IonicContact OD2-CE1 3.47Å; D99-H103 PolarHBondContact OD2-CE1 3.26Å |
| 104 | S | 56.6 | Low | 55.7 | Low | 100 Ų | 100 | 116.4 Ų | 116.4 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 12.6 | 177 | -65 | 0 | 0 | 0 | 0 | 114.3 | L102 G106 | L102-S104 VanDerWaalsContact C-N 3.34Å; S104-G106 VanDerWaalsContact C-N 3.32Å; S104-G106 PolarHBondContact O-N 3.42Å |
| 105 | G | 59.2 | Low | 55.3 | Low | 78 Ų | 78 | 118.5 Ų | 118.5 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | | | trans | -79.8 | 72.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 106 | G | 56.8 | Low | 54.8 | Low | 60 Ų | 60 | 117.8 Ų | 117.8 | 62% | 0.619 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 172.6 | 79.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S104 | S104-G106 VanDerWaalsContact C-N 3.32Å; S104-G106 PolarHBondContact O-N 3.42Å |
| 107 | E | 54.8 | Low | 54 | Low | 180 Ų | 180 | 113 Ų | 113 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | | | trans | 61.4 | 142 | 153.2 | 67.9 | 174.7 | 114.4 | 0 | 0 | 121.2 | | |
| 108 | D | 54 | Low | 53.5 | Low | 133 Ų | 133 | 116.9 Ų | 116.9 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | | | trans | 87 | 130.8 | 158.4 | 94.9 | -101 | 0 | 0 | 0 | 122.5 | | |
| 109 | N | 48.2 | Very low | 53.1 | Low | 135 Ų | 135 | 118.5 Ų | 118.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | 90.3 | 83.1 | 162.1 | -82.9 | -77.3 | 0 | 0 | 0 | 122.4 | | |
| 110 | S | 57.9 | Low | 52.6 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | | 18.1 | 120.5 | 119.6 | -57.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 111 | A | 48.1 | Very low | 52.2 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | | 153.7 | 134.5 | 107 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 112 | A | 43.9 | Very low | 51.8 | Low | 101 Ų | 101 | 120.9 Ų | 120.9 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | trans | 76.5 | 96.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 113 | S | 44 | Very low | 51.2 | Low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 127.3 | 151.5 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | V115 | S113-V115 PolarHBondContact O-N 2.75Š|
| 114 | P | 47.2 | Very low | 50.7 | Low | 127 Ų | 127 | 123.3 Ų | 123.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 119.7 | 175.3 | 31.5 | -28.7 | 0 | 0 | 0 | 110.5 | | |
| 115 | V | 56.1 | Low | 50.7 | Low | 130 Ų | 130 | 124.6 Ų | 124.6 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 151.3 | 163.4 | 66 | 0 | 0 | 0 | 0 | 109.3 | S113 | S113-V115 PolarHBondContact O-N 2.75Š|
| 116 | T | 47.1 | Very low | 50.8 | Low | 134 Ų | 134 | 128.4 Ų | 128.4 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | 116.3 | 119.6 | 155.6 | -40.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 117 | G | 43.9 | Very low | 51.2 | Low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | trans | -90.6 | -158.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 118 | P | 49.7 | Very low | 51.6 | Low | 130 Ų | 130 | 128 Ų | 128 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | | | trans | -139.4 | 153.6 | 138.8 | 35.7 | -20.3 | 0 | 0 | 0 | 114.7 | | |
| 119 | D | 50.7 | Low | 52.5 | Low | 156 Ų | 156 | 128.9 Ų | 128.9 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | -62.9 | 123 | 176.3 | -177.1 | 28.1 | 0 | 0 | 0 | 113.1 | | |
| 120 | I | 47.9 | Very low | 54 | Low | 139 Ų | 139 | 130.3 Ų | 130.3 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | -144 | 109.1 | 159.2 | -52.8 | 176.8 | 0 | 0 | 0 | 107.6 | S122 | I120-S122 PolarHBondContact O-N 3.37Š|
| 121 | E | 51.5 | Low | 55.2 | Low | 182 Ų | 182 | 130.9 Ų | 130.9 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | -50.2 | 95.2 | 162.6 | -160.5 | 172.5 | -158.5 | 0 | 0 | 109.7 | | |
| 122 | S | 51.1 | Low | 56.6 | Low | 81 Ų | 81 | 130.1 Ų | 130.1 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | | | trans | -142.5 | 90.6 | 174.6 | -88.9 | 0 | 0 | 0 | 0 | 109.1 | I120 T124 | I120-S122 PolarHBondContact O-N 3.37Å; S122-T124 WeakPolarHBondContact O-CG2 3.23Å; S122-T124 PolarHBondContact O-N 3.01Å |
| 123 | F | 49.7 | Very low | 58.5 | Low | 206 Ų | 206 | 128.8 Ų | 128.8 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | | | trans | 8.5 | 73.3 | 158 | -57 | -83.9 | 0 | 0 | 0 | 115.8 | T125 | F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3Å; F123-T125 VanDerWaalsContact O-N 3.14Å |
| 124 | T | 45.5 | Very low | 60 | Low | 126 Ų | 126 | 130.1 Ų | 130.1 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | trans | -83.3 | 82.1 | 168.4 | 57.8 | 0 | 0 | 0 | 0 | 107.9 | S122 E126 | S122-T124 WeakPolarHBondContact O-CG2 3.23Å; S122-T124 PolarHBondContact O-N 3.01Å; T124-E126 PolarHBondContact O-N 3.39Å |
| 125 | T | 57.2 | Low | 61.3 | Low | 127 Ų | 127 | 126.9 Ų | 126.9 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | trans | -69.7 | 86.1 | 156.1 | -54.7 | 0 | 0 | 0 | 0 | 106 | F123 I127 | F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3Å; F123-T125 VanDerWaalsContact O-N 3.14Å; T125-I127 PolarHBondContact O-N 2.79Å |
| 126 | E | 60.9 | Low | 62.2 | Low | 159 Ų | 159 | 125.6 Ų | 125.6 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | | | trans | -64.4 | 99 | 174.9 | -174.6 | -170 | 155 | 0 | 0 | 108.3 | T124 S128 | T124-E126 PolarHBondContact O-N 3.39Å; E126-S128 PolarHBondContact O-N 2.95Å |
| 127 | I | 65.4 | Low | 63.2 | Low | 135 Ų | 135 | 124.3 Ų | 124.3 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | | | trans | -76.7 | 93.8 | 171.3 | -60.6 | 170.2 | 0 | 0 | 0 | 106.7 | T125 L129 | T125-I127 PolarHBondContact O-N 2.79Å; I127-L129 HydrophobicContact CG2-CD2 3.81Å; I127-L129 HydrophobicContact CG2-CG 4.21Å; I127-L129 PolarHBondContact O-N 3.37Å |
| 128 | S | 64.4 | Low | 64.4 | Low | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | | | trans | -69.7 | 104.5 | 165.3 | -95.5 | 0 | 0 | 0 | 0 | 109 | E126 Q130 | E126-S128 PolarHBondContact O-N 2.95Å; S128-Q130 PolarHBondContact O-N 2.77Å |
| 129 | L | 72.9 | Confident | 65 | Low | 152 Ų | 152 | 130 Ų | 130 | 80% | 0.796 | 68% | 0.682 | S | S | * | * | | | trans | -77.2 | 97.5 | 169.4 | -65.2 | 178 | 0 | 0 | 0 | 108.6 | I127 V131 | I127-L129 HydrophobicContact CG2-CD2 3.81Å; I127-L129 HydrophobicContact CG2-CG 4.21Å; I127-L129 PolarHBondContact O-N 3.37Å; L129-V131 PolarHBondContact O-N 3.04Å |
| 130 | Q | 79.3 | Confident | 65.4 | Low | 166 Ų | 166 | 130.6 Ų | 130.6 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 122.7 | 176 | -173.4 | 174.4 | 25.7 | 0 | 0 | 110.1 | S128 P132 | S128-Q130 PolarHBondContact O-N 2.77Å; Q130-P132 WeakPolarHBondContact O-CD 3.36Å |
| 131 | V | 82.1 | Confident | 66 | Low | 124 Ų | 124 | 129.4 Ų | 129.4 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 124.6 | 171.9 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | L129 T133 | L129-V131 PolarHBondContact O-N 3.04Å; V131-T133 PolarHBondContact O-N 3.22Å |
| 132 | P | 79 | Confident | 66.4 | Low | 82 Ų | 82 | 125.2 Ų | 125.2 | 53% | 0.532 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 137.4 | 176.2 | -25.2 | 34.6 | 0 | 0 | 0 | 111.5 | Q130 | Q130-P132 WeakPolarHBondContact O-CD 3.36Š|
| 133 | T | 82.6 | Confident | 66.6 | Low | 73 Ų | 73 | 126.3 Ų | 126.3 | 45% | 0.448 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 155.8 | 179 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | V131 A135 E136 L137 | V131-T133 PolarHBondContact O-N 3.22Å; T133-A135 PolarHBondContact O-N 3.21Å; T133-A135 VanDerWaalsContact O-N 3.11Å; T133-E136 PolarHBondContact N-OE2 3.17Å; T133-E136 PolarHBondContact O-N 3.24Å; T133-E136 WeakPolarHBondContact OG1-CG 3.47Å; T133-E136 PolarHBondContact OG1-OE2 3.28Å; T133-L137 PolarHBondContact O-N 3.23Å |
| 134 | Q | 75.2 | Confident | 66.9 | Low | 144 Ų | 144 | 123 Ų | 123 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -57.3 | -29.3 | 179.6 | -171 | -178.5 | 15.1 | 0 | 0 | 113.2 | R138 | Q134-R138 VanDerWaalsContact O-CG 3.23Å; Q134-R138 WeakPolarHBondContact O-CG 3.46Å; Q134-R138 PolarHBondContact O-N 3.38Å |
| 135 | A | 75.4 | Confident | 67.3 | Low | 58 Ų | 58 | 122.3 Ų | 122.3 | 48% | 0.479 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -67 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T133 L137 R138 H139 | T133-A135 PolarHBondContact O-N 3.21Å; T133-A135 VanDerWaalsContact O-N 3.11Å; A135-L137 VanDerWaalsContact C-N 3.27Å; A135-L137 PolarHBondContact O-N 3.21Å; A135-R138 PolarHBondContact O-N 3.27Å; A135-H139 PolarHBondContact O-CD2 3.27Å; A135-H139 PolarHBondContact O-N 3.22Å |
| 136 | E | 73.9 | Confident | 67.1 | Low | 103 Ų | 103 | 121.2 Ų | 121.2 | 48% | 0.481 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.4 | -33.9 | 178.5 | -68.4 | 164.4 | 131.2 | 0 | 0 | 111.9 | T133 | T133-E136 PolarHBondContact N-OE2 3.17Å; T133-E136 PolarHBondContact O-N 3.24Å; T133-E136 WeakPolarHBondContact OG1-CG 3.47Å; T133-E136 PolarHBondContact OG1-OE2 3.28Å |
| 137 | L | 69.3 | Low | 66.5 | Low | 107 Ų | 107 | 120.4 Ų | 120.4 | 56% | 0.56 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67 | -38.7 | 175.1 | -123.3 | 120.8 | 0 | 0 | 0 | 112.5 | T133 A135 K140 | T133-L137 PolarHBondContact O-N 3.23Å; A135-L137 VanDerWaalsContact C-N 3.27Å; A135-L137 PolarHBondContact O-N 3.21Å; L137-K140 PolarHBondContact O-N 3.09Å |
| 138 | R | 67.7 | Low | 65.5 | Low | 172 Ų | 172 | 119.7 Ų | 119.7 | 65% | 0.649 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.5 | -40.3 | 178.8 | -67.2 | -99.4 | -169.9 | 160.8 | 2 | 111.9 | Q134 A135 K140 L141 S142 | Q134-R138 VanDerWaalsContact O-CG 3.23Å; Q134-R138 WeakPolarHBondContact O-CG 3.46Å; Q134-R138 PolarHBondContact O-N 3.38Å; A135-R138 PolarHBondContact O-N 3.27Å; R138-K140 VanDerWaalsContact C-N 3.31Å; R138-K140 PolarHBondContact O-N 3.31Å; R138-L141 PolarHBondContact O-N 3.01Å; R138-S142 PolarHBondContact O-N 3.15Å |
| 139 | H | 62.8 | Low | 64.8 | Low | 142 Ų | 142 | 121.3 Ų | 121.3 | 66% | 0.657 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.8 | -29.3 | -179.9 | -75.5 | -70 | 0 | 0 | 0 | 113.5 | A135 | A135-H139 PolarHBondContact O-CD2 3.27Å; A135-H139 PolarHBondContact O-N 3.22Å |
| 140 | K | 59.7 | Low | 63.4 | Low | 169 Ų | 169 | 121.1 Ų | 121.1 | 74% | 0.735 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.8 | -31.3 | 176.5 | -70.3 | -150.1 | 166.6 | -166.4 | 0 | 113.8 | L137 R138 | L137-K140 PolarHBondContact O-N 3.09Å; R138-K140 VanDerWaalsContact C-N 3.31Å; R138-K140 PolarHBondContact O-N 3.31Å |
| 141 | L | 60.7 | Low | 61.8 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 60% | 0.597 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -78 | -28.5 | 178.3 | -65.7 | 174.4 | 0 | 0 | 0 | 112.6 | R138 S143 L144 | R138-L141 PolarHBondContact O-N 3.01Å; L141-S143 PolarHBondContact O-N 3.36Å; L141-L144 PolarHBondContact O-N 3.4Å |
| 142 | S | 58.8 | Low | 60.1 | Low | 95 Ų | 95 | 116.6 Ų | 116.6 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -62.4 | -27 | 173.3 | -83.9 | 0 | 0 | 0 | 0 | 113.6 | R138 L144 | R138-S142 PolarHBondContact O-N 3.15Å; S142-L144 VanDerWaalsContact C-N 3.27Å; S142-L144 PolarHBondContact O-N 3.45Å |
| 143 | S | 55.8 | Low | 58.4 | Low | 104 Ų | 104 | 118.5 Ų | 118.5 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -4.6 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 114.7 | L141 | L141-S143 PolarHBondContact O-N 3.36Š|
| 144 | L | 56.3 | Low | 56.6 | Low | 136 Ų | 136 | 124.1 Ų | 124.1 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 1.9 | -178 | -63.5 | 178.6 | 0 | 0 | 0 | 114.3 | L141 S142 S146 | L141-L144 PolarHBondContact O-N 3.4Å; S142-L144 VanDerWaalsContact C-N 3.27Å; S142-L144 PolarHBondContact O-N 3.45Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 2.79Å; L144-S146 VanDerWaalsContact O-N 3.09Å |
| 145 | S | 53 | Low | 54.9 | Low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | | | trans | -83 | 78.2 | 169.3 | -75.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 146 | S | 54.3 | Low | 53.3 | Low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | | | trans | -101.2 | 107 | 156.7 | 56 | 0 | 0 | 0 | 0 | 108.3 | L144 C148 | L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 2.79Å; L144-S146 VanDerWaalsContact O-N 3.09Å; S146-C148 PolarHBondContact O-N 3.1Å |
| 147 | T | 48.9 | Very low | 51.9 | Low | 142 Ų | 142 | 131.4 Ų | 131.4 | 87% | 0.871 | 75% | 0.748 | S | S | * | * | | | trans | -64.4 | 105.9 | 165.4 | 40 | 0 | 0 | 0 | 0 | 109 | | |
| 148 | C | 43.7 | Very low | 50.8 | Low | 120 Ų | 120 | 131.5 Ų | 131.5 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | -86.9 | 114.7 | 165.3 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | S146 D150 | S146-C148 PolarHBondContact O-N 3.1Å; C148-D150 PolarHBondContact O-N 3.37Å |
| 149 | T | 48.6 | Very low | 49.3 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -80.6 | 102.7 | 161.9 | 45.4 | 0 | 0 | 0 | 0 | 107.4 | S151 | T149-S151 PolarHBondContact O-N 3.48Š|
| 150 | D | 45.2 | Very low | 48.1 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -59 | 119 | 170.6 | -177.6 | 57.1 | 0 | 0 | 0 | 109.7 | C148 | C148-D150 PolarHBondContact O-N 3.37Š|
| 151 | S | 45.6 | Very low | 47 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -109.1 | 96 | 173.4 | -66.8 | 0 | 0 | 0 | 0 | 107.7 | T149 S153 | T149-S151 PolarHBondContact O-N 3.48Å; S151-S153 PolarHBondContact O-N 3Å |
| 152 | A | 44.9 | Very low | 46 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | -81.4 | 109.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q154 | A152-Q154 PolarHBondContact O-N 3.2Š|
| 153 | S | 44.7 | Very low | 45.2 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -71.2 | 114.6 | 163.4 | 47.8 | 0 | 0 | 0 | 0 | 109.4 | S151 | S151-S153 PolarHBondContact O-N 3Š|
| 154 | Q | 44.5 | Very low | 44.6 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -103.1 | 106.7 | 170.2 | -161.7 | 178.4 | 14.4 | 0 | 0 | 108.3 | A152 | A152-Q154 PolarHBondContact O-N 3.2Š|
| 155 | D | 40.1 | Very low | 43.8 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | | | trans | -90.9 | 153.7 | 173.9 | -169.8 | 31 | 0 | 0 | 0 | 110.5 | | |
| 156 | T | 40.8 | Very low | 43.4 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | -104.7 | 128.9 | -162.9 | 53 | 0 | 0 | 0 | 0 | 112.7 | | |
| 157 | E | 45.4 | Very low | 42.7 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -161.1 | 118 | 150.1 | 56.3 | -176.8 | -165.4 | 0 | 0 | 107.4 | | |
| 158 | A | 44.8 | Very low | 42.4 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | | | | 60.5 | 83.8 | 55.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 159 | G | 37.8 | Very low | 42.4 | Very low | 80 Ų | 80 | 145.8 Ų | 145.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -164.9 | 106 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 160 | E | 37.1 | Very low | 42.1 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | | | trans | -74.9 | 139.5 | 177.5 | -57.4 | 155.7 | 163.1 | 0 | 0 | 109.9 | | |
| 161 | D | 35.9 | Very low | 41.7 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | | | | 178.8 | 129 | 117.7 | -110.9 | -22.8 | 0 | 0 | 0 | 112.2 | | |
| 162 | D | 40.5 | Very low | 41.2 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | | | trans | -58.6 | 137.9 | 163.3 | -79.8 | -74 | 0 | 0 | 0 | 111.6 | | |
| 163 | E | 41.3 | Very low | 41 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | | | trans | -153.6 | 96.4 | 138.3 | -67.4 | -162.1 | 165 | 0 | 0 | 109.5 | | |
| 164 | D | 42.3 | Very low | 40.7 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 78% | 0.775 | 83% | 0.831 | S | S | * | * | | | trans | -75.5 | 125.9 | 165.3 | -74.9 | -53.1 | 0 | 0 | 0 | 110.3 | | |
| 165 | E | 40.9 | Very low | 40.3 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | | | trans | -129.5 | 87.3 | 160.1 | -72.5 | -166.6 | 165.3 | 0 | 0 | 109.8 | | |
| 166 | E | 43.6 | Very low | 40.3 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | | | trans | -91.6 | 108.9 | 164 | -72.8 | -120 | 175.5 | 0 | 0 | 109.4 | A168 | E166-A168 PolarHBondContact O-N 2.86Š|
| 167 | E | 41.1 | Very low | 40.2 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | | | trans | -67.7 | 106.2 | 168.7 | -80.9 | -77.7 | 160.6 | 0 | 0 | 110.2 | | |
| 168 | A | 42.4 | Very low | 39.9 | Very low | 84 Ų | 84 | 130.8 Ų | 130.8 | 69% | 0.694 | 83% | 0.831 | S | S | * | * | | | trans | -89.2 | 98.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E166 | E166-A168 PolarHBondContact O-N 2.86Š|
| 169 | E | 43.6 | Very low | 40 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | | | trans | -90.9 | 117.9 | 165 | -83.7 | -78 | 132.2 | 0 | 0 | 110.5 | | |
| 170 | Q | 42.6 | Very low | 40.3 | Very low | 184 Ų | 184 | 132 Ų | 132 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | | | trans | -78.7 | 133.5 | -177.8 | -69 | 173 | 45 | 0 | 0 | 112.2 | | |
| 171 | G | 35.3 | Very low | 40.5 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | | 86.4 | 123.9 | 126.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 172 | G | 36.6 | Very low | 40.7 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | | | trans | 150.4 | 98.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 173 | S | 39.5 | Very low | 41.2 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | 67.4 | 103.2 | 142.6 | -170.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 174 | G | 39.4 | Very low | 41.6 | Very low | 80 Ų | 80 | 114 Ų | 114 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | | 48.3 | 123.7 | 117.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 175 | G | 35.7 | Very low | 42.4 | Very low | 80 Ų | 80 | 117.1 Ų | 117.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | 147.2 | 112.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 176 | G | 40.3 | Very low | 43.5 | Very low | 89 Ų | 89 | 120 Ų | 120 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | | | trans | -69.9 | 168.9 | -172 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 177 | G | 37.2 | Very low | 44.6 | Very low | 70 Ų | 70 | 121.3 Ų | 121.3 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | 146.3 | 117.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 178 | V | 39.8 | Very low | 46 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | | | trans | 84.8 | 116 | 144.8 | -175.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 179 | V | 48 | Very low | 47.2 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | | | trans | -32.3 | 135.4 | 158.7 | -68.5 | 0 | 0 | 0 | 0 | 116 | | |
| 180 | G | 42.3 | Very low | 48.2 | Very low | 73 Ų | 73 | 121 Ų | 121 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | -174 | 114.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G182 | G180-G182 PolarHBondContact O-N 3.16Š|
| 181 | G | 43.3 | Very low | 49.1 | Very low | 84 Ų | 84 | 118.4 Ų | 118.4 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | trans | -52 | 119.7 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G183 | G181-G183 PolarHBondContact O-N 3.33Š|
| 182 | G | 39.8 | Very low | 50.6 | Low | 79 Ų | 79 | 120.4 Ų | 120.4 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | | | trans | -67.3 | 108.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G180 G184 | G180-G182 PolarHBondContact O-N 3.16Å; G182-G184 PolarHBondContact O-N 3.12Å |
| 183 | G | 49.9 | Very low | 51.8 | Low | 75 Ų | 75 | 122.1 Ų | 122.1 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -65.4 | 80.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G181 R185 | G181-G183 PolarHBondContact O-N 3.33Å; G183-R185 PolarHBondContact O-N 3.25Å |
| 184 | G | 49.1 | Very low | 52.8 | Low | 63 Ų | 63 | 121.8 Ų | 121.8 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | trans | -60.3 | 103.9 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | G182 R186 | G182-G184 PolarHBondContact O-N 3.12Å; G184-R186 PolarHBondContact O-N 3.26Å |
| 185 | R | 60.3 | Low | 53.5 | Low | 211 Ų | 211 | 125.3 Ų | 125.3 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | -56.2 | 102.6 | 163.7 | -66.9 | 177.8 | 126.6 | -149.8 | -2.6 | 106.4 | G183 R187 | G183-R185 PolarHBondContact O-N 3.25Å; R185-R187 VanDerWaalsContact C-N 3.26Å; R185-R187 PolarHBondContact O-N 3.19Å |
| 186 | R | 64.7 | Low | 54.9 | Low | 243 Ų | 243 | 128.7 Ų | 128.7 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | | | trans | -61.9 | 93.6 | 171.8 | -70.7 | -171.7 | 176.8 | -120.6 | 2.1 | 107.3 | G184 K188 | G184-R186 PolarHBondContact O-N 3.26Å; R186-K188 PolarHBondContact O-N 3.37Å; R186-K188 VanDerWaalsContact O-N 3.08Å |
| 187 | R | 66.6 | Low | 56.1 | Low | 215 Ų | 215 | 133.6 Ų | 133.6 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -60.7 | 108.6 | 167 | -64.9 | -87 | 176 | 176.7 | -1 | 105.4 | R185 | R185-R187 VanDerWaalsContact C-N 3.26Å; R185-R187 PolarHBondContact O-N 3.19Å |
| 188 | K | 68.8 | Low | 57.2 | Low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 130.4 | 170.4 | -96.5 | 167.4 | 170.8 | 170.9 | 0 | 107.3 | R186 | R186-K188 PolarHBondContact O-N 3.37Å; R186-K188 VanDerWaalsContact O-N 3.08Å |
| 189 | P | 68.3 | Low | 58.4 | Low | 109 Ų | 109 | 138.6 Ų | 138.6 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 148.8 | 175.9 | 27.1 | -32.4 | 0 | 0 | 0 | 110.1 | V191 | P189-V191 PolarHBondContact O-N 3.42Š|
| 190 | P | 63.8 | Low | 59 | Low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 135.9 | 177.4 | 26.2 | -32.5 | 0 | 0 | 0 | 110.1 | V192 | P190-V192 PolarHBondContact O-N 3.3Š|
| 191 | V | 61.4 | Low | 59.4 | Low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | -70.9 | 114.6 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 107.6 | P189 V193 | P189-V191 PolarHBondContact O-N 3.42Å; V191-V193 HydrophobicContact CG1-CG2 4.34Å; V191-V193 PolarHBondContact O-N 3.48Å |
| 192 | V | 66.9 | Low | 59.9 | Low | 126 Ų | 126 | 142.3 Ų | 142.3 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | -80.3 | 108.7 | 172.1 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | P190 | P190-V192 PolarHBondContact O-N 3.3Š|
| 193 | V | 61.8 | Low | 60.3 | Low | 111 Ų | 111 | 145.5 Ų | 145.5 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | | | trans | -83.4 | 111.4 | 171.4 | -179 | 0 | 0 | 0 | 0 | 107.2 | V191 L195 | V191-V193 HydrophobicContact CG1-CG2 4.34Å; V191-V193 PolarHBondContact O-N 3.48Å; V193-L195 PolarHBondContact O-N 3.33Å |
| 194 | T | 60.9 | Low | 60.6 | Low | 118 Ų | 118 | 146.2 Ų | 146.2 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | | | trans | -76.4 | 116.4 | 167.7 | 51.1 | 0 | 0 | 0 | 0 | 107.6 | D196 | T194-D196 PolarHBondContact O-N 3.32Š|
| 195 | L | 54.3 | Low | 60.8 | Low | 155 Ų | 155 | 148.7 Ų | 148.7 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -71.9 | 112.8 | 170 | -64.2 | 174.7 | 0 | 0 | 0 | 107.3 | V193 E197 | V193-L195 PolarHBondContact O-N 3.33Å; L195-E197 PolarHBondContact O-N 3.11Å |
| 196 | D | 65 | Low | 60.4 | Low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | trans | -81.2 | 113.9 | 173.5 | -143.7 | -120.6 | 0 | 0 | 0 | 107.2 | T194 E198 | T194-D196 PolarHBondContact O-N 3.32Å; D196-E198 PolarHBondContact O-N 3.06Å |
| 197 | E | 65.2 | Low | 59.9 | Low | 192 Ų | 192 | 136.8 Ų | 136.8 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | | | trans | -83.2 | 87.7 | -178.7 | -55.6 | -173.3 | 122.9 | 0 | 0 | 108.9 | L195 | L195-E197 PolarHBondContact O-N 3.11Š|
| 198 | E | 61.8 | Low | 59.4 | Low | 160 Ų | 160 | 132.8 Ų | 132.8 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | -83.2 | 112.1 | 170.5 | -168.1 | 179.7 | 101.5 | 0 | 0 | 109.9 | D196 V200 | D196-E198 PolarHBondContact O-N 3.06Å; E198-V200 PolarHBondContact O-N 3.46Å |
| 199 | E | 63.9 | Low | 58.8 | Low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | | | trans | -76.4 | 98.8 | 174.2 | -170.4 | 178.1 | 137.8 | 0 | 0 | 109.8 | H201 | E199-H201 PolarHBondContact O-N 2.79Å; E199-H201 IonicContact OE1-CE1 3.18Å; E199-H201 PolarHBondContact OE1-CE1 3.22Å; E199-H201 IonicContact OE1-ND1 3.93Å; E199-H201 IonicContact OE1-NE2 3.97Å |
| 200 | V | 61.6 | Low | 58.3 | Low | 114 Ų | 114 | 132.2 Ų | 132.2 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | | | trans | -81.5 | 111.4 | 176.7 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | E198 | E198-V200 PolarHBondContact O-N 3.46Š|
| 201 | H | 51.1 | Low | 57.9 | Low | 142 Ų | 142 | 131.6 Ų | 131.6 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 134.6 | 171 | -67.6 | -57.7 | 0 | 0 | 0 | 111.1 | E199 D203 | E199-H201 PolarHBondContact O-N 2.79Å; E199-H201 IonicContact OE1-CE1 3.18Å; E199-H201 PolarHBondContact OE1-CE1 3.22Å; E199-H201 IonicContact OE1-ND1 3.93Å; E199-H201 IonicContact OE1-NE2 3.97Å; H201-D203 PolarHBondContact O-N 2.75Å |
| 202 | P | 52.3 | Low | 57.7 | Low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -72 | 129.6 | 176.3 | 28.3 | -32.7 | 0 | 0 | 0 | 111.2 | A204 | P202-A204 PolarHBondContact O-N 3.41Š|
| 203 | D | 47.7 | Very low | 57.3 | Low | 145 Ų | 145 | 130.2 Ų | 130.2 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 119 | 179.7 | -111.8 | -19.9 | 0 | 0 | 0 | 111.5 | H201 V205 | H201-D203 PolarHBondContact O-N 2.75Å; D203-V205 PolarHBondContact O-N 3.3Å; D203-V205 VanDerWaalsContact O-N 3.08Å |
| 204 | A | 56.5 | Low | 57.2 | Low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -76.6 | 15.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P202 L206 | P202-A204 PolarHBondContact O-N 3.41Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 PolarHBondContact O-N 3.37Å |
| 205 | V | 54.5 | Low | 57.1 | Low | 115 Ų | 115 | 129.5 Ų | 129.5 | 70% | 0.697 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -78.7 | -13.6 | -172.1 | 176.8 | 0 | 0 | 0 | 0 | 113.1 | D203 A207 | D203-V205 PolarHBondContact O-N 3.3Å; D203-V205 VanDerWaalsContact O-N 3.08Å; V205-A207 VanDerWaalsContact C-N 3.35Å; V205-A207 PolarHBondContact O-N 3.18Å |
| 206 | L | 52.1 | Low | 57.5 | Low | 134 Ų | 134 | 125.2 Ų | 125.2 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -74.9 | -18.4 | -177.6 | -67.8 | 179 | 0 | 0 | 0 | 114.7 | A204 D208 | A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 PolarHBondContact O-N 3.37Å; L206-D208 VanDerWaalsContact C-N 3.3Å; L206-D208 PolarHBondContact O-N 3.17Å |
| 207 | A | 54.5 | Low | 57.5 | Low | 70 Ų | 70 | 120.7 Ų | 120.7 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.8 | -21.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V205 | V205-A207 VanDerWaalsContact C-N 3.35Å; V205-A207 PolarHBondContact O-N 3.18Å |
| 208 | D | 55.1 | Low | 57.7 | Low | 131 Ų | 131 | 119.1 Ų | 119.1 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -86.8 | -17.2 | -176.5 | -162.8 | 68.5 | 0 | 0 | 0 | 113.1 | L206 | L206-D208 VanDerWaalsContact C-N 3.3Å; L206-D208 PolarHBondContact O-N 3.17Å |
| 209 | R | 56.7 | Low | 57.9 | Low | 157 Ų | 157 | 116.6 Ų | 116.6 | 59% | 0.592 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.9 | -31.8 | -177.1 | -173.2 | 180 | 162.7 | 105.9 | 8.1 | 112.7 | Q212 E213 | R209-Q212 PolarHBondContact O-N 2.74Å; R209-E213 IonicContact CZ-OE1 3.5Å; R209-E213 IonicContact NE-OE1 3.52Å; R209-E213 IonicContact NE-OE2 3.72Å; R209-E213 IonicContact NH2-OE1 2.75Å; R209-E213 PolarHBondContact NH2-OE1 2.99Å; R209-E213 PolarHBondContact O-N 3.04Å |
| 210 | E | 56.8 | Low | 58 | Low | 139 Ų | 139 | 113 Ų | 113 | 65% | 0.65 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.3 | -40.7 | -175.1 | -48.6 | -173.5 | 167 | 0 | 0 | 111.1 | Q212 D214 | E210-Q212 VanDerWaalsContact C-N 3.33Å; E210-Q212 PolarHBondContact O-N 3.08Å; E210-D214 PolarHBondContact O-N 3.32Å |
| 211 | D | 56.6 | Low | 58.4 | Low | 107 Ų | 107 | 113.6 Ų | 113.6 | 57% | 0.572 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.8 | -26.5 | 178.3 | -77.5 | -39.4 | 0 | 0 | 0 | 113.2 | Q215 | D211-Q215 WeakPolarHBondContact O-CG 3.36Å |
| 212 | Q | 56.5 | Low | 59.3 | Low | 129 Ų | 129 | 113 Ų | 113 | 60% | 0.603 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -75 | -38.7 | 178.9 | -174.8 | 76.2 | 93.3 | 0 | 0 | 112 | R209 E210 S216 | R209-Q212 PolarHBondContact O-N 2.74Å; E210-Q212 VanDerWaalsContact C-N 3.33Å; E210-Q212 PolarHBondContact O-N 3.08Å; Q212-S216 PolarHBondContact O-N 3.06Å |
| 213 | E | 59 | Low | 60.1 | Low | 97 Ų | 97 | 117 Ų | 117 | 45% | 0.453 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.4 | -37.3 | -179.6 | -73.1 | 179.4 | 139 | 0 | 0 | 111.4 | R209 Q215 S216 S217 | R209-E213 IonicContact CZ-OE1 3.5Å; R209-E213 IonicContact NE-OE1 3.52Å; R209-E213 IonicContact NE-OE2 3.72Å; R209-E213 IonicContact NH2-OE1 2.75Å; R209-E213 PolarHBondContact NH2-OE1 2.99Å; R209-E213 PolarHBondContact O-N 3.04Å; E213-Q215 PolarHBondContact O-N 3.2Å; E213-S216 PolarHBondContact O-N 3.42Å; E213-S216 PolarHBondContact O-OG 3.33Å; E213-S217 PolarHBondContact O-N 3.48Å; E213-S217 VanDerWaalsContact O-N 3.09Å |
| 214 | D | 59.6 | Low | 61.1 | Low | 85 Ų | 85 | 120.4 Ų | 120.4 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.8 | -28.6 | -179.9 | -116 | -2.2 | 0 | 0 | 0 | 113.9 | E210 S217 R218 | E210-D214 PolarHBondContact O-N 3.32Å; D214-S217 PolarHBondContact O-OG 3.46Å; D214-S217 VanDerWaalsContact O-OG 3.04Å; D214-R218 WeakPolarHBondContact O-CG 3.43Å; D214-R218 IonicContact OD2-NH2 3.82Å |
| 215 | Q | 58.2 | Low | 61.6 | Low | 129 Ų | 129 | 123.2 Ų | 123.2 | 60% | 0.603 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.5 | -36.5 | 173 | -69.9 | -176.3 | 46 | 0 | 0 | 111.9 | D211 E213 D219 | D211-Q215 WeakPolarHBondContact O-CG 3.36Å; E213-Q215 PolarHBondContact O-N 3.2Å; Q215-D219 PolarHBondContact O-N 3.2Å |
| 216 | S | 62.3 | Low | 61.8 | Low | 65 Ų | 65 | 125.8 Ų | 125.8 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.8 | -32.5 | 179.3 | 77.7 | 0 | 0 | 0 | 0 | 112.9 | Q212 E213 C220 | Q212-S216 PolarHBondContact O-N 3.06Å; E213-S216 PolarHBondContact O-N 3.42Å; E213-S216 PolarHBondContact O-OG 3.33Å; S216-C220 PolarHBondContact O-N 3.4Å; S216-C220 PolarHBondContact O-SG 3.26Å |
| 217 | S | 66.4 | Low | 61.6 | Low | 56 Ų | 56 | 128.6 Ų | 128.6 | 39% | 0.392 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.8 | -39.9 | 179.5 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | E213 D214 C220 E221 | E213-S217 PolarHBondContact O-N 3.48Å; E213-S217 VanDerWaalsContact O-N 3.09Å; D214-S217 PolarHBondContact O-OG 3.46Å; D214-S217 VanDerWaalsContact O-OG 3.04Å; S217-C220 PolarHBondContact O-N 2.89Å; S217-E221 PolarHBondContact O-N 3.14Å |
| 218 | R | 68.9 | Low | 62 | Low | 159 Ų | 159 | 131.6 Ų | 131.6 | 60% | 0.6 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.3 | -41.4 | 177.8 | -68 | 175.4 | -172.9 | 156.2 | 10.8 | 112.4 | D214 C220 E221 E222 | D214-R218 WeakPolarHBondContact O-CG 3.43Å; D214-R218 IonicContact OD2-NH2 3.82Å; R218-C220 PolarHBondContact O-N 2.84Å; R218-E221 PolarHBondContact O-N 3.47Å; R218-E222 PolarHBondContact O-N 3.44Å; R218-E222 VanDerWaalsContact O-N 3.07Å |
| 219 | D | 66.4 | Low | 62.3 | Low | 107 Ų | 107 | 131.6 Ų | 131.6 | 57% | 0.572 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.9 | -39.6 | 176.8 | -175.2 | -96.5 | 0 | 0 | 0 | 112.1 | Q215 E221 R223 | Q215-D219 PolarHBondContact O-N 3.2Å; D219-E221 VanDerWaalsContact C-N 3.32Å; D219-E221 PolarHBondContact O-N 3.28Å; D219-R223 PolarHBondContact O-N 3.46Å |
| 220 | C | 66 | Low | 62.6 | Low | 81 Ų | 81 | 130.2 Ų | 130.2 | 55% | 0.547 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.1 | -34.2 | 175.7 | -71.1 | 0 | 0 | 0 | 0 | 113 | S216 S217 R218 | S216-C220 PolarHBondContact O-N 3.4Å; S216-C220 PolarHBondContact O-SG 3.26Å; S217-C220 PolarHBondContact O-N 2.89Å; R218-C220 PolarHBondContact O-N 2.84Å |
| 221 | E | 68.9 | Low | 63 | Low | 126 Ų | 126 | 129.6 Ų | 129.6 | 59% | 0.589 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -78.2 | -37.4 | -178.3 | -153.1 | -177.7 | 161.9 | 0 | 0 | 112.3 | S217 R218 D219 R224 Q225 | S217-E221 PolarHBondContact O-N 3.14Å; R218-E221 PolarHBondContact O-N 3.47Å; D219-E221 VanDerWaalsContact C-N 3.32Å; D219-E221 PolarHBondContact O-N 3.28Å; E221-R224 PolarHBondContact O-N 3.35Å; E221-Q225 PolarHBondContact O-NE2 2.74Å |
| 222 | E | 70.6 | Confident | 63.4 | Low | 131 Ų | 131 | 131.1 Ų | 131.1 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.2 | -40.4 | 176.1 | -173.7 | 172.4 | 174.9 | 0 | 0 | 111.5 | R218 R224 Q225 | R218-E222 PolarHBondContact O-N 3.44Å; R218-E222 VanDerWaalsContact O-N 3.07Å; E222-R224 PolarHBondContact O-N 2.89Å; E222-Q225 PolarHBondContact O-N 3.07Å |
| 223 | R | 68.3 | Low | 63.8 | Low | 202 Ų | 202 | 131.2 Ų | 131.2 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.9 | -27.4 | 177.5 | -163.2 | 175.4 | -153.8 | -133.8 | 3.4 | 113.5 | D219 | D219-R223 PolarHBondContact O-N 3.46Å |
| 224 | R | 68.6 | Low | 64.2 | Low | 217 Ų | 217 | 133.6 Ų | 133.6 | 82% | 0.819 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.7 | -21.6 | 177.2 | -87 | -176.7 | 162.7 | 165.2 | -1.6 | 113.6 | E221 E222 | E221-R224 PolarHBondContact O-N 3.35Å; E222-R224 PolarHBondContact O-N 2.89Å |
| 225 | Q | 67.2 | Low | 64.5 | Low | 150 Ų | 150 | 137.4 Ų | 137.4 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -4.2 | -177.9 | -69.6 | 170.6 | 56.4 | 0 | 0 | 113.3 | E221 E222 | E221-Q225 PolarHBondContact O-NE2 2.74Å; E222-Q225 PolarHBondContact O-N 3.07Å |
| 226 | Q | 58.6 | Low | 65.1 | Low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 17.2 | -176.1 | -146 | 171.3 | 86.8 | 0 | 0 | 113.7 | | |
| 227 | V | 48.6 | Very low | 65.3 | Low | 193 Ų | 193 | 144.7 Ų | 144.7 | 100% | 1.17 | 69% | 0.687 | S | S | * | * | | | trans | -112.7 | 0 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | | |