| 1 | M | 41.8 | Very low | 57.6 | Low | 221 Ų | 221 | 143.6 Ų | 143.6 | 100% | 1.089 | 80% | 0.804 | S | S | * | * | | | | 0 | 112.1 | 0 | -71.7 | 165.1 | 97.4 | 0 | 0 | 106.7 | | |
| 2 | N | 47.8 | Very low | 56.9 | Low | 174 Ų | 174 | 147.5 Ų | 147.5 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -87 | 118.8 | -179.4 | -69.4 | -44.5 | 0 | 0 | 0 | 108.4 | | |
| 3 | H | 60.7 | Low | 56.6 | Low | 178 Ų | 178 | 147.6 Ų | 147.6 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 125.7 | 175.2 | -62.8 | -75.7 | 0 | 0 | 0 | 109 | | |
| 4 | S | 63.4 | Low | 56.4 | Low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 139.9 | 172.5 | 36.8 | 0 | 0 | 0 | 0 | 110 | L6 | S4-L6 PolarHBondContact O-N 3.38Š|
| 5 | P | 61 | Low | 56.3 | Low | 119 Ų | 119 | 146.7 Ų | 146.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 134 | 178.7 | 26.3 | -31.7 | 0 | 0 | 0 | 109.6 | K7 | P5-K7 PolarHBondContact O-N 3.34Š|
| 6 | L | 63.2 | Low | 56.3 | Low | 166 Ų | 166 | 145.9 Ų | 145.9 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | trans | -59.3 | 110 | 177.5 | -69.6 | 163.7 | 0 | 0 | 0 | 109 | S4 T8 | S4-L6 PolarHBondContact O-N 3.38Å; L6-T8 PolarHBondContact O-N 3.31Å; L6-T8 VanDerWaalsContact O-N 3.15Å |
| 7 | K | 61 | Low | 56.3 | Low | 206 Ų | 206 | 146.1 Ų | 146.1 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | | | trans | -69.3 | 108 | 171.1 | -78.8 | -177.5 | 171 | -178.1 | 0 | 108.4 | P5 A9 | P5-K7 PolarHBondContact O-N 3.34Å; K7-A9 PolarHBondContact O-N 2.97Å |
| 8 | T | 61.1 | Low | 56.1 | Low | 127 Ų | 127 | 147.6 Ų | 147.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -77.8 | 103.9 | 170.8 | -26.1 | 0 | 0 | 0 | 0 | 107.5 | L6 L10 | L6-T8 PolarHBondContact O-N 3.31Å; L6-T8 VanDerWaalsContact O-N 3.15Å; T8-L10 PolarHBondContact O-N 2.8Å |
| 9 | A | 62.8 | Low | 56.2 | Low | 76 Ų | 76 | 147.7 Ų | 147.7 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | | | trans | -65.7 | 119.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | K7 | K7-A9 PolarHBondContact O-N 2.97Š|
| 10 | L | 56.3 | Low | 56.1 | Low | 132 Ų | 132 | 147.1 Ų | 147.1 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | trans | -66.1 | 142 | 170 | -64.5 | 176.5 | 0 | 0 | 0 | 107.7 | T8 Y12 E13 | T8-L10 PolarHBondContact O-N 2.8Å; L10-Y12 PolarHBondContact O-N 3.37Å; L10-E13 PolarHBondContact O-N 3.03Å |
| 11 | A | 54.9 | Low | 56 | Low | 76 Ų | 76 | 144.9 Ų | 144.9 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -13.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F15 | A11-F15 WeakPolarHBondContact O-CD2 3.06Å; A11-F15 WeakPolarHBondContact O-CE2 3.32Å |
| 12 | Y | 49.3 | Very low | 56.7 | Low | 190 Ų | 190 | 140.8 Ų | 140.8 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -25.3 | 175.9 | -157.3 | -97.6 | 0 | 0 | 0 | 114.5 | L10 | L10-Y12 PolarHBondContact O-N 3.37Š|
| 13 | E | 52.4 | Low | 57.1 | Low | 149 Ų | 149 | 138.7 Ų | 138.7 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -85.2 | -14.1 | 179.5 | -66.8 | -160.4 | 157.6 | 0 | 0 | 113.5 | L10 F15 | L10-E13 PolarHBondContact O-N 3.03Å; E13-F15 VanDerWaalsContact C-N 3.31Å; E13-F15 PolarHBondContact O-N 3.23Å |
| 14 | C | 54.5 | Low | 57.2 | Low | 109 Ų | 109 | 135.2 Ų | 135.2 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -82.6 | -7.3 | -177.3 | -157.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 15 | F | 54.6 | Low | 56.9 | Low | 172 Ų | 172 | 136.8 Ų | 136.8 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -119.1 | 26.8 | -173 | -61.1 | -71.6 | 0 | 0 | 0 | 113.4 | A11 E13 | A11-F15 WeakPolarHBondContact O-CD2 3.06Å; A11-F15 WeakPolarHBondContact O-CE2 3.32Å; E13-F15 VanDerWaalsContact C-N 3.31Å; E13-F15 PolarHBondContact O-N 3.23Å |
| 16 | Q | 55.8 | Low | 56.4 | Low | 134 Ų | 134 | 136.7 Ų | 136.7 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -109.4 | 43.4 | -173.1 | -155.1 | 174.6 | 101.7 | 0 | 0 | 112 | | |
| 17 | D | 57.2 | Low | 56.1 | Low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -178.9 | 60.4 | 164.7 | -87.1 | -28.8 | 0 | 0 | 0 | 112.9 | | |
| 18 | Q | 52.6 | Low | 56 | Low | 173 Ų | 173 | 131.2 Ų | 131.2 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | | | trans | -131.8 | 53.8 | 170.1 | -84.7 | -85.8 | -47.4 | 0 | 0 | 110.8 | N20 | Q18-N20 PolarHBondContact O-N 2.86Å; Q18-N20 VanDerWaalsContact O-N 3.13Å |
| 19 | D | 56.7 | Low | 55.6 | Low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | | | trans | -77 | 17.9 | 177.5 | -73 | -25.5 | 0 | 0 | 0 | 114.5 | | |
| 20 | N | 55.5 | Low | 55.5 | Low | 134 Ų | 134 | 135.4 Ų | 135.4 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -130.6 | 78.3 | -178.7 | -58 | -41.2 | 0 | 0 | 0 | 110.8 | Q18 T22 | Q18-N20 PolarHBondContact O-N 2.86Å; Q18-N20 VanDerWaalsContact O-N 3.13Å; N20-T22 PolarHBondContact O-N 3.46Å; N20-T22 PolarHBondContact O-OG1 2.86Å |
| 21 | S | 52.6 | Low | 55.4 | Low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | trans | -43.4 | 101.7 | 171.8 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | L23 | S21-L23 PolarHBondContact O-N 3.05Å; S21-L23 PolarHBondContact OG-O 3.12Å |
| 22 | T | 58.4 | Low | 55.6 | Low | 136 Ų | 136 | 142.4 Ų | 142.4 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | | | trans | -87.5 | 24.2 | 167.4 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | N20 | N20-T22 PolarHBondContact O-N 3.46Å; N20-T22 PolarHBondContact O-OG1 2.86Å |
| 23 | L | 55.2 | Low | 55.9 | Low | 130 Ų | 130 | 138.2 Ų | 138.2 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -112.5 | 97.2 | 160.8 | -70.1 | 170.9 | 0 | 0 | 0 | 105.2 | S21 L25 | S21-L23 PolarHBondContact O-N 3.05Å; S21-L23 PolarHBondContact OG-O 3.12Å; L23-L25 PolarHBondContact O-N 3.49Å |
| 24 | A | 63 | Low | 56.3 | Low | 104 Ų | 104 | 134.2 Ų | 134.2 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | -66.6 | 64.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 25 | L | 56.8 | Low | 56.7 | Low | 138 Ų | 138 | 131.9 Ų | 131.9 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | | | trans | -73.5 | 130 | 148.6 | -63.1 | -179.9 | 0 | 0 | 0 | 104.8 | L23 S27 | L23-L25 PolarHBondContact O-N 3.49Å; L25-S27 PolarHBondContact O-N 3.1Å |
| 26 | P | 50.5 | Low | 57.4 | Low | 117 Ų | 117 | 127.3 Ų | 127.3 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | | | trans | -52.3 | 115.1 | 167.2 | -15.1 | 27 | 0 | 0 | 0 | 105.5 | D28 | P26-D28 PolarHBondContact O-N 3.01Å; P26-D28 VanDerWaalsContact O-N 3.17Å |
| 27 | S | 56.1 | Low | 58.1 | Low | 88 Ų | 88 | 122.6 Ų | 122.6 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | | | trans | -51.4 | 129.2 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 105.8 | L25 Q29 | L25-S27 PolarHBondContact O-N 3.1Å; S27-Q29 PolarHBondContact O-N 3.37Å |
| 28 | D | 60.1 | Low | 58.8 | Low | 169 Ų | 169 | 125.4 Ų | 125.4 | 90% | 0.904 | 70% | 0.7 | S | S | * | * | | | trans | -65.9 | 38.6 | 168.7 | -84.4 | -31.6 | 0 | 0 | 0 | 110.7 | P26 K30 | P26-D28 PolarHBondContact O-N 3.01Å; P26-D28 VanDerWaalsContact O-N 3.17Å; D28-K30 PolarHBondContact O-N 3.2Å |
| 29 | Q | 53.4 | Low | 60 | Low | 133 Ų | 133 | 122 Ų | 122 | 62% | 0.621 | 69% | 0.685 | S | S | * | * | | | trans | -71.3 | 76.3 | 169.1 | -171.7 | 160.6 | 6.5 | 0 | 0 | 107.5 | S27 M31 | S27-Q29 PolarHBondContact O-N 3.37Å; Q29-M31 PolarHBondContact O-N 2.9Å; Q29-M31 VanDerWaalsContact O-N 3.14Å |
| 30 | K | 60.1 | Low | 61.1 | Low | 159 Ų | 159 | 122.1 Ų | 122.1 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | | | trans | 29.6 | 78.2 | 157.7 | 36.5 | -96.2 | -180 | -170.4 | 0 | 111.4 | D28 K32 | D28-K30 PolarHBondContact O-N 3.2Å; K30-K32 PolarHBondContact O-N 3.49Å |
| 31 | M | 54.8 | Low | 62.4 | Low | 160 Ų | 160 | 119.8 Ų | 119.8 | 79% | 0.788 | 66% | 0.664 | S | S | * | * | | | trans | -62.5 | 90.8 | 156 | -39.8 | -143.7 | -53.3 | 0 | 0 | 104.3 | Q29 T33 | Q29-M31 PolarHBondContact O-N 2.9Å; Q29-M31 VanDerWaalsContact O-N 3.14Å; M31-T33 PolarHBondContact O-N 3.01Å; M31-T33 PolarHBondContact O-OG1 3.34Å |
| 32 | K | 58.1 | Low | 63.8 | Low | 195 Ų | 195 | 120.9 Ų | 120.9 | 85% | 0.848 | 66% | 0.658 | S | S | * | * | | | trans | -60.1 | 86.9 | 157 | -70.6 | -176.7 | 178.2 | -174.2 | 0 | 102.9 | K30 G34 | K30-K32 PolarHBondContact O-N 3.49Å; K32-G34 PolarHBondContact O-N 3.35Å |
| 33 | T | 56.3 | Low | 64.9 | Low | 101 Ų | 101 | 120.7 Ų | 120.7 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | | | trans | -69.5 | 74 | 178.7 | -55.6 | 0 | 0 | 0 | 0 | 106.2 | M31 T35 | M31-T33 PolarHBondContact O-N 3.01Å; M31-T33 PolarHBondContact O-OG1 3.34Å; T33-T35 PolarHBondContact O-N 2.93Å |
| 34 | G | 60.2 | Low | 66 | Low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 65% | 0.646 | S | S | * | * | | | trans | -82.6 | 20.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K32 S36 | K32-G34 PolarHBondContact O-N 3.35Å; G34-S36 VanDerWaalsContact C-N 3.26Å; G34-S36 PolarHBondContact O-N 3.42Å |
| 35 | T | 62.2 | Low | 66.9 | Low | 60 Ų | 60 | 119.6 Ų | 119.6 | 37% | 0.368 | 63% | 0.626 | S | S | . | * | | | trans | -81.4 | 86.8 | 167.8 | 56.5 | 0 | 0 | 0 | 0 | 107.4 | T33 G37 | T33-T35 PolarHBondContact O-N 2.93Å; T35-G37 PolarHBondContact O-N 2.91Å |
| 36 | S | 69.1 | Low | 68 | Low | 75 Ų | 75 | 119.1 Ų | 119.1 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | | | trans | -43.5 | 139.3 | 170.1 | 167 | 0 | 0 | 0 | 0 | 109.2 | G34 R38 Q39 R40 | G34-S36 VanDerWaalsContact C-N 3.26Å; G34-S36 PolarHBondContact O-N 3.42Å; S36-R38 PolarHBondContact O-N 3.12Å; S36-R38 PolarHBondContact OG-N 3.42Å; S36-Q39 WeakPolarHBondContact O-CB 3.24Å; S36-Q39 PolarHBondContact O-N 3.27Å; S36-R40 PolarHBondContact O-N 3.18Å |
| 37 | G | 71 | Confident | 68.9 | Low | 36 Ų | 36 | 119.6 Ų | 119.6 | 37% | 0.371 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -49 | -29 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T35 Q39 R40 V41 | T35-G37 PolarHBondContact O-N 2.91Å; G37-Q39 PolarHBondContact O-N 3.37Å; G37-R40 PolarHBondContact O-N 2.98Å; G37-V41 WeakPolarHBondContact O-CG2 3.43Å; G37-V41 PolarHBondContact O-N 3.36Å |
| 38 | R | 73.1 | Confident | 69.5 | Low | 208 Ų | 208 | 119.3 Ų | 119.3 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61 | -39.9 | 173.5 | -169.1 | 177.7 | -179 | -154.4 | -0.1 | 113.9 | S36 V41 Q42 | S36-R38 PolarHBondContact O-N 3.12Å; S36-R38 PolarHBondContact OG-N 3.42Å; R38-V41 PolarHBondContact O-N 3.38Å; R38-Q42 WeakPolarHBondContact O-CB 3.39Å; R38-Q42 PolarHBondContact O-N 3.43Å |
| 39 | Q | 77.4 | Confident | 69.7 | Low | 102 Ų | 102 | 115.5 Ų | 115.5 | 48% | 0.477 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.3 | -41.5 | 178 | -171.9 | 176.3 | -2.5 | 0 | 0 | 110.9 | S36 G37 Q42 E43 | S36-Q39 WeakPolarHBondContact O-CB 3.24Å; S36-Q39 PolarHBondContact O-N 3.27Å; G37-Q39 PolarHBondContact O-N 3.37Å; Q39-Q42 PolarHBondContact O-N 3.5Å; Q39-E43 PolarHBondContact O-N 3.42Å |
| 40 | R | 78.4 | Confident | 69.9 | Low | 152 Ų | 152 | 117.8 Ų | 117.8 | 57% | 0.574 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.1 | -41.8 | 175.6 | -67.7 | -169.1 | -77.8 | 146 | -4.9 | 112.1 | S36 G37 Q44 | S36-R40 PolarHBondContact O-N 3.18Å; G37-R40 PolarHBondContact O-N 2.98Å; R40-Q44 WeakPolarHBondContact O-CG 3.37Å; R40-Q44 PolarHBondContact O-N 3.05Å |
| 41 | V | 83.1 | Confident | 69.9 | Low | 85 Ų | 85 | 120.7 Ų | 120.7 | 52% | 0.515 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.2 | -43.5 | 176 | 172.7 | 0 | 0 | 0 | 0 | 111 | G37 R38 E43 Q44 V45 | G37-V41 WeakPolarHBondContact O-CG2 3.43Å; G37-V41 PolarHBondContact O-N 3.36Å; R38-V41 PolarHBondContact O-N 3.38Å; V41-E43 VanDerWaalsContact C-N 3.34Å; V41-E43 PolarHBondContact O-N 2.78Å; V41-Q44 PolarHBondContact O-N 3.38Å; V41-V45 HydrophobicContact CG1-CG2 4.27Å; V41-V45 VanDerWaalsContact O-CG2 3.32Å; V41-V45 WeakPolarHBondContact O-CG2 3.39Å; V41-V45 PolarHBondContact O-N 3.44Å |
| 42 | Q | 83 | Confident | 69.9 | Low | 125 Ų | 125 | 120 Ų | 120 | 58% | 0.584 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.7 | -41 | 179.2 | -173 | 177 | 10.5 | 0 | 0 | 112.3 | R38 Q39 V45 M46 | R38-Q42 WeakPolarHBondContact O-CB 3.39Å; R38-Q42 PolarHBondContact O-N 3.43Å; Q39-Q42 PolarHBondContact O-N 3.5Å; Q42-V45 PolarHBondContact O-N 3.09Å; Q42-M46 PolarHBondContact O-N 2.67Å |
| 43 | E | 80.3 | Confident | 69.9 | Low | 131 Ų | 131 | 120.2 Ų | 120.2 | 61% | 0.612 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.6 | -45.3 | 176 | -171.6 | 177.1 | 177.3 | 0 | 0 | 111.6 | Q39 V41 M46 M47 | Q39-E43 PolarHBondContact O-N 3.42Å; V41-E43 VanDerWaalsContact C-N 3.34Å; V41-E43 PolarHBondContact O-N 2.78Å; E43-M46 PolarHBondContact O-N 3.34Å; E43-M47 WeakPolarHBondContact O-CG 3.33Å; E43-M47 PolarHBondContact O-N 3.04Å; E43-M47 VanDerWaalsContact O-N 3.12Å |
| 44 | Q | 79.8 | Confident | 69.7 | Low | 137 Ų | 137 | 121 Ų | 121 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.9 | -40.7 | 175.7 | -71.7 | -178.2 | -11.9 | 0 | 0 | 112.9 | R40 V41 M47 T48 | R40-Q44 WeakPolarHBondContact O-CG 3.37Å; R40-Q44 PolarHBondContact O-N 3.05Å; V41-Q44 PolarHBondContact O-N 3.38Å; Q44-M47 PolarHBondContact O-N 2.73Å; Q44-T48 WeakPolarHBondContact O-CG2 3.36Å; Q44-T48 PolarHBondContact O-N 3.31Å; Q44-T48 PolarHBondContact O-OG1 3.24Å |
| 45 | V | 81.8 | Confident | 69.4 | Low | 75 Ų | 75 | 127.9 Ų | 127.9 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.6 | -45.2 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | V41 Q42 M47 T48 V49 | V41-V45 HydrophobicContact CG1-CG2 4.27Å; V41-V45 VanDerWaalsContact O-CG2 3.32Å; V41-V45 WeakPolarHBondContact O-CG2 3.39Å; V41-V45 PolarHBondContact O-N 3.44Å; Q42-V45 PolarHBondContact O-N 3.09Å; V45-M47 VanDerWaalsContact C-N 3.31Å; V45-M47 PolarHBondContact O-N 3.15Å; V45-T48 WeakPolarHBondContact CA-OG1 3.41Å; V45-T48 PolarHBondContact O-N 3.22Å; V45-T48 PolarHBondContact O-OG1 2.98Å; V45-V49 HydrophobicContact CG1-CG2 3.85Å; V45-V49 WeakPolarHBondContact O-CB 3.42Å; V45-V49 VanDerWaalsContact O-CG2 3.24Å; V45-V49 WeakPolarHBondContact O-CG2 3.32Å; V45-V49 PolarHBondContact O-N 3.34Å |
| 46 | M | 79 | Confident | 68.8 | Low | 127 Ų | 127 | 129.9 Ų | 129.9 | 63% | 0.626 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.4 | -42.3 | 178.3 | -170.9 | -177.4 | -60.4 | 0 | 0 | 111.9 | Q42 E43 T48 K50 | Q42-M46 PolarHBondContact O-N 2.67Å; E43-M46 PolarHBondContact O-N 3.34Å; M46-T48 VanDerWaalsContact C-N 3.34Å; M46-T48 PolarHBondContact O-N 3.22Å; M46-K50 WeakPolarHBondContact O-CB 3.31Å; M46-K50 PolarHBondContact O-N 3.1Å |
| 47 | M | 68.8 | Low | 67.7 | Low | 128 Ų | 128 | 131.5 Ų | 131.5 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.9 | -32.9 | 179 | -70.9 | -67.7 | -75.3 | 0 | 0 | 113.2 | E43 Q44 V45 | E43-M47 WeakPolarHBondContact O-CG 3.33Å; E43-M47 PolarHBondContact O-N 3.04Å; E43-M47 VanDerWaalsContact O-N 3.12Å; Q44-M47 PolarHBondContact O-N 2.73Å; V45-M47 VanDerWaalsContact C-N 3.31Å; V45-M47 PolarHBondContact O-N 3.15Å |
| 48 | T | 69.8 | Low | 66.8 | Low | 81 Ų | 81 | 139.5 Ų | 139.5 | 50% | 0.497 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -85.6 | -41.2 | -178.7 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | Q44 V45 M46 K50 R51 Q52 | Q44-T48 WeakPolarHBondContact O-CG2 3.36Å; Q44-T48 PolarHBondContact O-N 3.31Å; Q44-T48 PolarHBondContact O-OG1 3.24Å; V45-T48 WeakPolarHBondContact CA-OG1 3.41Å; V45-T48 PolarHBondContact O-N 3.22Å; V45-T48 PolarHBondContact O-OG1 2.98Å; M46-T48 VanDerWaalsContact C-N 3.34Å; M46-T48 PolarHBondContact O-N 3.22Å; T48-K50 VanDerWaalsContact C-N 3.27Å; T48-K50 PolarHBondContact O-N 3.33Å; T48-R51 PolarHBondContact O-N 3.17Å; T48-Q52 PolarHBondContact O-N 3.47Å |
| 49 | V | 63.5 | Low | 65.3 | Low | 90 Ų | 90 | 135 Ų | 135 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -62.2 | -36.7 | 175.6 | 174 | 0 | 0 | 0 | 0 | 110.7 | V45 R51 Q52 | V45-V49 HydrophobicContact CG1-CG2 3.85Å; V45-V49 WeakPolarHBondContact O-CB 3.42Å; V45-V49 VanDerWaalsContact O-CG2 3.24Å; V45-V49 WeakPolarHBondContact O-CG2 3.32Å; V45-V49 PolarHBondContact O-N 3.34Å; V49-R51 PolarHBondContact O-N 3.17Å; V49-R51 VanDerWaalsContact O-N 3.1Å; V49-Q52 PolarHBondContact O-N 3.19Å; V49-Q52 VanDerWaalsContact O-N 3.12Å |
| 50 | K | 59.1 | Low | 64.4 | Low | 181 Ų | 181 | 135.3 Ų | 135.3 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -15.1 | 175.4 | -147.6 | 176.7 | 84.8 | 174.2 | 0 | 113.7 | M46 T48 | M46-K50 WeakPolarHBondContact O-CB 3.31Å; M46-K50 PolarHBondContact O-N 3.1Å; T48-K50 VanDerWaalsContact C-N 3.27Å; T48-K50 PolarHBondContact O-N 3.33Å |
| 51 | R | 60 | Low | 62.8 | Low | 220 Ų | 220 | 133.4 Ų | 133.4 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 2.4 | 177.9 | -65.2 | 179.9 | 77.8 | -137.1 | 6.3 | 113.7 | T48 V49 | T48-R51 PolarHBondContact O-N 3.17Å; V49-R51 PolarHBondContact O-N 3.17Å; V49-R51 VanDerWaalsContact O-N 3.1Å |
| 52 | Q | 55 | Low | 61.4 | Low | 146 Ų | 146 | 137.7 Ų | 137.7 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | | | trans | -109.4 | 33.1 | -175.4 | -86.7 | -161.9 | -59.4 | 0 | 0 | 115.1 | T48 V49 | T48-Q52 PolarHBondContact O-N 3.47Å; V49-Q52 PolarHBondContact O-N 3.19Å; V49-Q52 VanDerWaalsContact O-N 3.12Å |
| 53 | K | 57.6 | Low | 60 | Low | 199 Ų | 199 | 136.6 Ų | 136.6 | 87% | 0.865 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -104 | 120 | 155.5 | -78.9 | -168.9 | 169.2 | -173.8 | 0 | 110.1 | | |
| 54 | S | 51.3 | Low | 58.3 | Low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | 76.3 | 70.8 | 176.6 | -50 | 0 | 0 | 0 | 0 | 116.9 | | |
| 55 | K | 54.1 | Low | 56.7 | Low | 210 Ų | 210 | 136.6 Ų | 136.6 | 91% | 0.913 | 73% | 0.734 | S | S | * | * | | | trans | -86.4 | 87.9 | 142.1 | -86.3 | -178.9 | 174.9 | 177.7 | 0 | 107.7 | | |
| 56 | S | 48.8 | Very low | 55.1 | Low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -105.6 | 114.2 | 156 | -170.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 57 | S | 46.6 | Very low | 54.1 | Low | 108 Ų | 108 | 147.1 Ų | 147.1 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | 68.5 | 104.5 | 157.9 | -50.5 | 0 | 0 | 0 | 0 | 118.5 | S59 | S57-S59 PolarHBondContact O-N 3.21Š|
| 58 | Q | 53.1 | Low | 53.4 | Low | 205 Ų | 205 | 144.4 Ų | 144.4 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | | | trans | -51.9 | 124.9 | 145.3 | -85.6 | 174.7 | -30.8 | 0 | 0 | 109.1 | | |
| 59 | S | 40.5 | Very low | 52.7 | Low | 113 Ų | 113 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -130.4 | 113.9 | 148.5 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | S57 | S57-S59 PolarHBondContact O-N 3.21Š|
| 60 | S | 58.8 | Low | 52.2 | Low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -80 | 110.3 | 175.2 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 61 | T | 44.7 | Very low | 51.8 | Low | 112 Ų | 112 | 148.4 Ų | 148.4 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | | | trans | -157.4 | 111.5 | 142.8 | 39.8 | 0 | 0 | 0 | 0 | 109.1 | S63 | T61-S63 PolarHBondContact O-N 3.37Š|
| 62 | L | 53.8 | Low | 51.5 | Low | 175 Ų | 175 | 144.8 Ų | 144.8 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -65.8 | 116.9 | 163.9 | -150.3 | 73.2 | 0 | 0 | 0 | 106.5 | | |
| 63 | S | 52.7 | Low | 51.5 | Low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | trans | 83.4 | 99.3 | 178.8 | -48.1 | 0 | 0 | 0 | 0 | 117.1 | T61 | T61-S63 PolarHBondContact O-N 3.37Š|
| 64 | H | 45.9 | Very low | 51.5 | Low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | -145 | 103.1 | 146.9 | -112.5 | 55.1 | 0 | 0 | 0 | 110.6 | | |
| 65 | S | 44.8 | Very low | 51.5 | Low | 96 Ų | 96 | 136.1 Ų | 136.1 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | trans | 45.3 | 98.2 | 143.2 | -50.9 | 0 | 0 | 0 | 0 | 119.3 | R67 | S65-R67 PolarHBondContact O-N 3.42Š|
| 66 | N | 49.6 | Very low | 51.4 | Low | 185 Ų | 185 | 133.7 Ų | 133.7 | 99% | 0.989 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -65.9 | 53.8 | 154.4 | -100.1 | -47.8 | 0 | 0 | 0 | 111.6 | | |
| 67 | R | 57.1 | Low | 51.3 | Low | 238 Ų | 238 | 135.1 Ų | 135.1 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | | | trans | -144.4 | 21 | -174.9 | -125.1 | -173.8 | -166.8 | -171.4 | 4.3 | 116.5 | S65 | S65-R67 PolarHBondContact O-N 3.42Š|
| 68 | G | 54.9 | Low | 51.5 | Low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -172.7 | 97.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 69 | S | 54.3 | Low | 51.3 | Low | 83 Ų | 83 | 137.6 Ų | 137.6 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | | | trans | -167.5 | 71.1 | 135.5 | -161.2 | 0 | 0 | 0 | 0 | 109.4 | D72 | S69-D72 WeakPolarHBondContact OG-CB 3.22Š|
| 70 | M | 52.5 | Low | 51.2 | Low | 169 Ų | 169 | 139 Ų | 139 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -94.7 | -6.8 | 171.1 | -23.2 | -75.9 | -86 | 0 | 0 | 111.2 | | |
| 71 | Y | 50.8 | Low | 50.4 | Low | 184 Ų | 184 | 144.5 Ų | 144.5 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -124.9 | 1.4 | -167.4 | -69.7 | -78.5 | 0 | 0 | 0 | 113.5 | G73 L74 | Y71-G73 PolarHBondContact O-N 3.2Å; Y71-L74 HydrophobicContact CD1-CD1 4.05Å |
| 72 | D | 54.3 | Low | 50.3 | Low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 55 | 174.3 | -164.3 | 36.4 | 0 | 0 | 0 | 110.9 | S69 | S69-D72 WeakPolarHBondContact OG-CB 3.22Š|
| 73 | G | 55.1 | Low | 49.5 | Very low | 62 Ų | 62 | 139.9 Ų | 139.9 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.3 | 4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y71 | Y71-G73 PolarHBondContact O-N 3.2Š|
| 74 | L | 57 | Low | 48.9 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -103.2 | -3.1 | 178.4 | -73.4 | 171.3 | 0 | 0 | 0 | 113.5 | Y71 | Y71-L74 HydrophobicContact CD1-CD1 4.05Š|
| 75 | A | 51.4 | Low | 48.7 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -14.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 76 | D | 52.8 | Low | 49 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 3.6 | -175.3 | -65.6 | -33.6 | 0 | 0 | 0 | 114.5 | | |
| 77 | N | 47.6 | Very low | 48.7 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -104.6 | 59.8 | -177.7 | -161.3 | -22.6 | 0 | 0 | 0 | 112.2 | | |
| 78 | Y | 48.9 | Very low | 48.1 | Very low | 216 Ų | 216 | 134 Ų | 134 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -113.5 | 10.2 | 173.1 | -142.6 | -94.5 | 0 | 0 | 0 | 113.7 | | |
| 79 | N | 49.1 | Very low | 47.8 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | -145.9 | 65.1 | -175.9 | -92.9 | -45.3 | 0 | 0 | 0 | 113.2 | | |
| 80 | N | 40.1 | Very low | 47.4 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -152.9 | 94.1 | 152.9 | -146.4 | -28.3 | 0 | 0 | 0 | 112.2 | G82 | N80-G82 PolarHBondContact O-N 3.22Š|
| 81 | Y | 40.4 | Very low | 47 | Very low | 225 Ų | 225 | 144.2 Ų | 144.2 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | | | trans | -69.3 | 113.9 | 166.7 | -79.4 | -95.3 | 0 | 0 | 0 | 109.5 | | |
| 82 | G | 43.5 | Very low | 47.3 | Very low | 54 Ų | 54 | 145.6 Ų | 145.6 | 56% | 0.557 | 78% | 0.777 | S | S | * | * | | | trans | 109.4 | 148.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | N80 | N80-G82 PolarHBondContact O-N 3.22Š|
| 83 | T | 36.6 | Very low | 47 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | 83 | 98.8 | 169.3 | 88.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 84 | T | 40.3 | Very low | 46.6 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | | 62.9 | 101.2 | 90 | -73.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 85 | S | 42.5 | Very low | 46.1 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | | 165.4 | 115.9 | 115.4 | -75.8 | 0 | 0 | 0 | 0 | 112.5 | S87 | S85-S87 PolarHBondContact O-N 3.12Š|
| 86 | R | 50.3 | Low | 45.7 | Very low | 237 Ų | 237 | 151.6 Ų | 151.6 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | trans | 1.7 | 111.1 | 139.9 | -68.7 | 167 | 160.2 | 163.1 | -6.8 | 115.4 | | |
| 87 | S | 43.7 | Very low | 45.5 | Very low | 129 Ų | 129 | 150.8 Ų | 150.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -130.7 | 90.7 | 146.1 | -170.5 | 0 | 0 | 0 | 0 | 109.2 | S85 | S85-S87 PolarHBondContact O-N 3.12Š|
| 88 | S | 43.6 | Very low | 45.8 | Very low | 71 Ų | 71 | 148.2 Ų | 148.2 | 50% | 0.497 | 80% | 0.799 | S | S | . | * | | | trans | -84.7 | 139 | 179.7 | -6.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 89 | Y | 49.6 | Very low | 45.6 | Very low | 218 Ų | 218 | 141.6 Ų | 141.6 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 55 | 86.5 | 148.9 | -46.4 | -69.4 | 0 | 0 | 0 | 118 | | |
| 90 | F | 44.5 | Very low | 45.5 | Very low | 212 Ų | 212 | 145.8 Ų | 145.8 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | | | trans | 166.5 | 110.7 | 133.8 | -111.7 | -95.2 | 0 | 0 | 0 | 111 | | |
| 91 | S | 45.5 | Very low | 46.2 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | 178.2 | 73.6 | 141.7 | 41.6 | 0 | 0 | 0 | 0 | 110.3 | F93 | S91-F93 PolarHBondContact O-N 3.06Å; S91-F93 VanDerWaalsContact O-N 3.13Å |
| 92 | K | 56.5 | Low | 46.5 | Very low | 213 Ų | 213 | 141.5 Ų | 141.5 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | | | trans | -72.5 | 87.5 | 147.1 | -86.4 | -176.5 | 177.1 | 179.6 | 0 | 106.5 | | |
| 93 | F | 48.5 | Very low | 47 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | trans | -102.2 | 114.4 | 150.1 | -90.1 | -82.3 | 0 | 0 | 0 | 106.7 | S91 A95 | S91-F93 PolarHBondContact O-N 3.06Å; S91-F93 VanDerWaalsContact O-N 3.13Å; F93-A95 PolarHBondContact O-N 3.05Å |
| 94 | Q | 47.1 | Very low | 47.9 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | -33.7 | 128.3 | 157.4 | -91.2 | 165.7 | -31 | 0 | 0 | 108.7 | G96 | Q94-G96 PolarHBondContact O-N 2.83Š|
| 95 | A | 46.6 | Very low | 48.1 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | | | trans | -59.5 | 85.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | F93 N97 | F93-A95 PolarHBondContact O-N 3.05Å; A95-N97 PolarHBondContact O-N 2.85Å; A95-N97 VanDerWaalsContact O-N 3.14Å |
| 96 | G | 42.8 | Very low | 48.7 | Very low | 67 Ų | 67 | 146.8 Ų | 146.8 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -58.4 | 114.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | Q94 G98 | Q94-G96 PolarHBondContact O-N 2.83Å; G96-G98 VanDerWaalsContact C-N 3.27Å; G96-G98 PolarHBondContact O-N 2.7Å |
| 97 | N | 46.9 | Very low | 49 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | | | trans | -60.4 | 81.7 | -172.5 | -156.1 | 6.3 | 0 | 0 | 0 | 110.6 | A95 S99 | A95-N97 PolarHBondContact O-N 2.85Å; A95-N97 VanDerWaalsContact O-N 3.14Å; N97-S99 PolarHBondContact O-N 3.03Å |
| 98 | G | 53.8 | Low | 49.6 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | | | trans | -76.5 | 68.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | G96 | G96-G98 VanDerWaalsContact C-N 3.27Å; G96-G98 PolarHBondContact O-N 2.7Å |
| 99 | S | 46.6 | Very low | 49.9 | Very low | 77 Ų | 77 | 142 Ų | 142 | 54% | 0.538 | 78% | 0.776 | S | S | . | * | | | trans | -127.9 | 105.7 | 178.8 | -166.8 | 0 | 0 | 0 | 0 | 109.6 | N97 G101 | N97-S99 PolarHBondContact O-N 3.03Å; S99-G101 PolarHBondContact O-N 2.96Å |
| 100 | W | 46.1 | Very low | 50 | Low | 238 Ų | 238 | 140.8 Ų | 140.8 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -12.5 | 92.2 | 159.7 | -60.9 | 85 | 0 | 0 | 0 | 114.9 | Y102 | W100-Y102 WeakPolarHBondContact O-CD2 3.48Å; W100-Y102 PolarHBondContact O-N 2.98Å |
| 101 | G | 54.2 | Low | 50.5 | Low | 79 Ų | 79 | 142.2 Ų | 142.2 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54 | 32.7 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | S99 | S99-G101 PolarHBondContact O-N 2.96Š|
| 102 | Y | 46.4 | Very low | 50.6 | Low | 197 Ų | 197 | 142.4 Ų | 142.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -99.6 | 124.4 | 167.7 | -75.8 | -81.1 | 0 | 0 | 0 | 111.4 | W100 I104 | W100-Y102 WeakPolarHBondContact O-CD2 3.48Å; W100-Y102 PolarHBondContact O-N 2.98Å; Y102-I104 PolarHBondContact O-N 2.77Å |
| 103 | P | 55.7 | Low | 50.5 | Low | 92 Ų | 92 | 137.9 Ų | 137.9 | 60% | 0.597 | 76% | 0.756 | S | S | * | * | | | trans | -67.6 | 124 | 172.4 | 25 | -29.9 | 0 | 0 | 0 | 110.2 | Y105 | P103-Y105 HydrophobicContact CB-CE2 4.44Å; P103-Y105 HydrophobicContact CG-CD2 4.33Å; P103-Y105 HydrophobicContact CG-CE2 3.87Å; P103-Y105 WeakPolarHBondContact O-CD2 3.45Å; P103-Y105 PolarHBondContact O-N 3.14Å; P103-Y105 VanDerWaalsContact O-N 3.12Å |
| 104 | I | 54.9 | Low | 50.6 | Low | 139 Ų | 139 | 134.3 Ų | 134.3 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | trans | -66.4 | 103.4 | 165.8 | -56.9 | -74.1 | 0 | 0 | 0 | 106.4 | Y102 N106 | Y102-I104 PolarHBondContact O-N 2.77Å; I104-N106 PolarHBondContact O-N 3.13Å |
| 105 | Y | 45.3 | Very low | 50.9 | Low | 164 Ų | 164 | 131.4 Ų | 131.4 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | | | trans | -73.2 | 107.4 | 178 | -90.2 | -98.7 | 0 | 0 | 0 | 110.2 | P103 G107 L109 | P103-Y105 HydrophobicContact CB-CE2 4.44Å; P103-Y105 HydrophobicContact CG-CD2 4.33Å; P103-Y105 HydrophobicContact CG-CE2 3.87Å; P103-Y105 WeakPolarHBondContact O-CD2 3.45Å; P103-Y105 PolarHBondContact O-N 3.14Å; P103-Y105 VanDerWaalsContact O-N 3.12Å; Y105-G107 PolarHBondContact O-N 3.29Å; Y105-L109 HydrophobicContact CD1-CB 4.1Å; Y105-L109 HydrophobicContact CD1-CD1 4.05Å; Y105-L109 HydrophobicContact CE1-CB 3.87Å; Y105-L109 HydrophobicContact CE1-CD1 3.33Å; Y105-L109 HydrophobicContact CE1-CG 4.15Å |
| 106 | N | 55.1 | Low | 51.4 | Low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | trans | -81.3 | 87.2 | 168.8 | -51.5 | -32.5 | 0 | 0 | 0 | 108.8 | I104 T108 | I104-N106 PolarHBondContact O-N 3.13Å; N106-T108 PolarHBondContact O-N 2.69Å |
| 107 | G | 56.4 | Low | 51.9 | Low | 76 Ų | 76 | 142.2 Ų | 142.2 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 60.7 | -7.8 | 144.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | Y105 | Y105-G107 PolarHBondContact O-N 3.29Š|
| 108 | T | 55.9 | Low | 52.1 | Low | 134 Ų | 134 | 143.8 Ų | 143.8 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | trans | -150.4 | 50.3 | -178.3 | 51 | 0 | 0 | 0 | 0 | 115.1 | N106 | N106-T108 PolarHBondContact O-N 2.69Š|
| 109 | L | 48.7 | Very low | 52 | Low | 128 Ų | 128 | 143.2 Ų | 143.2 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | | | trans | -93.7 | 105.8 | 162.1 | -119.7 | 153.2 | 0 | 0 | 0 | 109.3 | Y105 R111 | Y105-L109 HydrophobicContact CD1-CB 4.1Å; Y105-L109 HydrophobicContact CD1-CD1 4.05Å; Y105-L109 HydrophobicContact CE1-CB 3.87Å; Y105-L109 HydrophobicContact CE1-CD1 3.33Å; Y105-L109 HydrophobicContact CE1-CG 4.15Å; L109-R111 PolarHBondContact O-N 2.73Å; L109-R111 VanDerWaalsContact O-N 3.17Å |
| 110 | K | 52.8 | Low | 52.4 | Low | 192 Ų | 192 | 144.9 Ų | 144.9 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | | | trans | -44 | 120.8 | 170.2 | -72.7 | -82.5 | -175.9 | 172.1 | 0 | 108.2 | E112 | K110-E112 VanDerWaalsContact C-N 3.29Å; K110-E112 PolarHBondContact O-N 3.25Å |
| 111 | R | 54.5 | Low | 52.8 | Low | 241 Ų | 241 | 141.9 Ų | 141.9 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | | | trans | -74.2 | 86.9 | 178.3 | -160.9 | -168.5 | -53 | 163.9 | 4.6 | 107.4 | L109 | L109-R111 PolarHBondContact O-N 2.73Å; L109-R111 VanDerWaalsContact O-N 3.17Å |
| 112 | E | 47.5 | Very low | 52.9 | Low | 110 Ų | 110 | 141 Ų | 141 | 51% | 0.514 | 70% | 0.7 | S | S | . | * | | | trans | -57.2 | 124.4 | 169 | -109.4 | -62.6 | 158.7 | 0 | 0 | 108.6 | K110 D114 N115 | K110-E112 VanDerWaalsContact C-N 3.29Å; K110-E112 PolarHBondContact O-N 3.25Å; E112-D114 PolarHBondContact O-N 3.14Å; E112-D114 VanDerWaalsContact O-N 3.08Å; E112-D114 PolarHBondContact OE2-N 3.44Å; E112-N115 WeakPolarHBondContact O-CB 3.5Å; E112-N115 PolarHBondContact O-N 3.21Å; E112-N115 VanDerWaalsContact O-N 3.15Å |
| 113 | P | 54 | Low | 53.4 | Low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -16 | 172 | 22.8 | -34.4 | 0 | 0 | 0 | 113 | | |
| 114 | D | 52 | Low | 53.5 | Low | 118 Ų | 118 | 137.7 Ų | 137.7 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 18.6 | 177.9 | -66.8 | -35.7 | 0 | 0 | 0 | 114.4 | E112 R116 | E112-D114 PolarHBondContact O-N 3.14Å; E112-D114 VanDerWaalsContact O-N 3.08Å; E112-D114 PolarHBondContact OE2-N 3.44Å; D114-R116 PolarHBondContact O-N 3.16Å |
| 115 | N | 53.6 | Low | 53.6 | Low | 125 Ų | 125 | 137.3 Ų | 137.3 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | | | trans | -72.5 | 41 | 172.4 | -138 | 76.9 | 0 | 0 | 0 | 112.7 | E112 R117 | E112-N115 WeakPolarHBondContact O-CB 3.5Å; E112-N115 PolarHBondContact O-N 3.21Å; E112-N115 VanDerWaalsContact O-N 3.15Å; N115-R117 PolarHBondContact O-N 3.43Å |
| 116 | R | 56.5 | Low | 54.1 | Low | 195 Ų | 195 | 136.3 Ų | 136.3 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | | | trans | -65.3 | 91.5 | 156 | -66.6 | -171.4 | -136.7 | -167.8 | 5.6 | 106 | D114 F118 | D114-R116 PolarHBondContact O-N 3.16Å; R116-F118 VanDerWaalsContact C-N 3.3Å; R116-F118 PolarHBondContact O-N 3.41Å |
| 117 | R | 53.5 | Low | 54.2 | Low | 203 Ų | 203 | 138.5 Ų | 138.5 | 77% | 0.766 | 68% | 0.684 | S | S | * | * | | | trans | -44.8 | 107.5 | 152.1 | -91.1 | 177 | 164.3 | 169.5 | -4.8 | 105.8 | N115 S119 | N115-R117 PolarHBondContact O-N 3.43Å; R117-S119 PolarHBondContact O-N 3.04Å |
| 118 | F | 50.7 | Low | 54.4 | Low | 176 Ų | 176 | 139.2 Ų | 139.2 | 77% | 0.772 | 68% | 0.676 | S | S | * | * | | | trans | -63.2 | 81.3 | 163.1 | -76.3 | -80.8 | 0 | 0 | 0 | 106.4 | R116 | R116-F118 VanDerWaalsContact C-N 3.3Å; R116-F118 PolarHBondContact O-N 3.41Å |
| 119 | S | 51.8 | Low | 54.5 | Low | 67 Ų | 67 | 143 Ų | 143 | 47% | 0.469 | 68% | 0.676 | S | S | . | * | | | trans | -71 | 135.9 | 163.4 | -65.5 | 0 | 0 | 0 | 0 | 105.6 | R117 Y121 S122 | R117-S119 PolarHBondContact O-N 3.04Å; S119-Y121 PolarHBondContact O-N 3.06Å; S119-S122 PolarHBondContact O-N 3.36Å |
| 120 | S | 54.9 | Low | 54.8 | Low | 113 Ų | 113 | 146.1 Ų | 146.1 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -14.9 | -179 | -40.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 121 | Y | 54.1 | Low | 54.5 | Low | 175 Ų | 175 | 147.6 Ų | 147.6 | 69% | 0.686 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -26 | 173.2 | -94.6 | -93.9 | 0 | 0 | 0 | 115 | S119 Q123 M124 | S119-Y121 PolarHBondContact O-N 3.06Å; Y121-Q123 PolarHBondContact O-N 2.94Å; Y121-M124 PolarHBondContact O-N 2.84Å |
| 122 | S | 57 | Low | 54.3 | Low | 59 Ų | 59 | 141.7 Ų | 141.7 | 41% | 0.413 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -7.5 | -176.6 | -64 | 0 | 0 | 0 | 0 | 114.8 | S119 E125 | S119-S122 PolarHBondContact O-N 3.36Å; S122-E125 VanDerWaalsContact CA-OE2 3.31Å; S122-E125 WeakPolarHBondContact CA-OE2 3.42Å |
| 123 | Q | 57.3 | Low | 54.7 | Low | 122 Ų | 122 | 148.8 Ų | 148.8 | 57% | 0.57 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -29 | 172.9 | -68.3 | -85.9 | -18.8 | 0 | 0 | 112 | Y121 W127 | Y121-Q123 PolarHBondContact O-N 2.94Å; Q123-W127 PolarHBondContact O-NE1 2.74Å |
| 124 | M | 56.3 | Low | 54 | Low | 98 Ų | 98 | 145.9 Ų | 145.9 | 48% | 0.483 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | -27.8 | -174.1 | -68.1 | -178.6 | 60.1 | 0 | 0 | 113.2 | Y121 N126 W127 | Y121-M124 PolarHBondContact O-N 2.84Å; M124-N126 PolarHBondContact O-N 2.92Å; M124-W127 HydrophobicContact CB-CE3 4.27Å; M124-W127 HydrophobicContact CB-CZ3 4.39Å; M124-W127 HydrophobicContact CG-CE3 4.04Å; M124-W127 HydrophobicContact CG-CH2 4.03Å; M124-W127 HydrophobicContact CG-CZ3 3.66Å; M124-W127 PolarHBondContact O-N 3.32Å; M124-W127 VanDerWaalsContact O-N 3.15Å |
| 125 | E | 58.7 | Low | 53.6 | Low | 132 Ų | 132 | 145.5 Ų | 145.5 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -19.4 | -179.7 | -73.6 | 122.1 | -149.1 | 0 | 0 | 112.8 | S122 | S122-E125 VanDerWaalsContact CA-OE2 3.31Å; S122-E125 WeakPolarHBondContact CA-OE2 3.42Å |
| 126 | N | 56 | Low | 53.5 | Low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -5.9 | 177.4 | -153.5 | 1.2 | 0 | 0 | 0 | 113.7 | M124 | M124-N126 PolarHBondContact O-N 2.92Š|
| 127 | W | 57 | Low | 52.9 | Low | 185 Ų | 185 | 140.8 Ų | 140.8 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -85.9 | -12.2 | -179.9 | -58.8 | -16.4 | 0 | 0 | 0 | 113.1 | Q123 M124 | Q123-W127 PolarHBondContact O-NE1 2.74Å; M124-W127 HydrophobicContact CB-CE3 4.27Å; M124-W127 HydrophobicContact CB-CZ3 4.39Å; M124-W127 HydrophobicContact CG-CE3 4.04Å; M124-W127 HydrophobicContact CG-CH2 4.03Å; M124-W127 HydrophobicContact CG-CZ3 3.66Å; M124-W127 PolarHBondContact O-N 3.32Å; M124-W127 VanDerWaalsContact O-N 3.15Å |
| 128 | S | 58.9 | Low | 52.7 | Low | 90 Ų | 90 | 137.2 Ų | 137.2 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -111.7 | 84.3 | -179.3 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 129 | R | 59.8 | Low | 52.7 | Low | 214 Ų | 214 | 132.8 Ų | 132.8 | 81% | 0.808 | 70% | 0.702 | S | S | * | * | | | trans | 75.6 | 108.6 | 149.6 | -43.7 | -164.1 | -163.4 | -78.7 | 1.7 | 116.9 | | |
| 130 | H | 53.7 | Low | 52.6 | Low | 193 Ų | 193 | 132.1 Ų | 132.1 | 89% | 0.894 | 71% | 0.706 | S | S | * | * | | | | -157.7 | 78.8 | 123.7 | -89 | 107 | 0 | 0 | 0 | 108.8 | | |
| 131 | Y | 47.8 | Very low | 52.7 | Low | 223 Ų | 223 | 132.4 Ų | 132.4 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | | | trans | -100.5 | 118.4 | 155.3 | -75.3 | -76.8 | 0 | 0 | 0 | 107.3 | R133 | Y131-R133 PolarHBondContact O-N 3.15Š|
| 132 | P | 49.8 | Very low | 52.8 | Low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | | | trans | -63.5 | 127.6 | 175 | 24.8 | -29.8 | 0 | 0 | 0 | 108.8 | G134 | P132-G134 VanDerWaalsContact C-N 3.33Å; P132-G134 PolarHBondContact O-N 3.12Å |
| 133 | R | 54.9 | Low | 52.7 | Low | 259 Ų | 259 | 126.8 Ų | 126.8 | 98% | 0.977 | 72% | 0.715 | S | S | * | * | | | trans | -68 | 96.1 | 165 | -75.1 | 178 | 95.9 | 158.9 | 4.5 | 107.1 | Y131 | Y131-R133 PolarHBondContact O-N 3.15Š|
| 134 | G | 40.7 | Very low | 52.7 | Low | 57 Ų | 57 | 127 Ų | 127 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | | | trans | -156.1 | 118.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P132 | P132-G134 VanDerWaalsContact C-N 3.33Å; P132-G134 PolarHBondContact O-N 3.12Å |
| 135 | S | 43.9 | Very low | 52.8 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | | | trans | 40.3 | 111 | 158.6 | 54.1 | 0 | 0 | 0 | 0 | 118.8 | A137 | S135-A137 PolarHBondContact O-N 3.19Å; S135-A137 VanDerWaalsContact O-N 3.12Å |
| 136 | C | 50.8 | Low | 52.7 | Low | 126 Ų | 126 | 124.8 Ų | 124.8 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | | | trans | -0.5 | 94.7 | 153.7 | 52.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 137 | A | 42.7 | Very low | 52.8 | Low | 95 Ų | 95 | 124.6 Ų | 124.6 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | | | trans | -79.2 | 118.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108 | S135 | S135-A137 PolarHBondContact O-N 3.19Å; S135-A137 VanDerWaalsContact O-N 3.12Å |
| 138 | T | 50.7 | Low | 52.9 | Low | 127 Ų | 127 | 121.8 Ų | 121.8 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | | | trans | -42.9 | 127.9 | 168.4 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | G140 | T138-G140 PolarHBondContact O-N 3.42Š|
| 139 | P | 49.9 | Very low | 52.9 | Low | 83 Ų | 83 | 124.3 Ų | 124.3 | 54% | 0.539 | 71% | 0.709 | S | S | . | * | | | trans | -62.7 | 109.6 | 176.1 | -15.5 | 28.1 | 0 | 0 | 0 | 108.3 | | |
| 140 | G | 50.4 | Low | 52.8 | Low | 53 Ų | 53 | 121.8 Ų | 121.8 | 55% | 0.546 | 70% | 0.704 | S | S | . | * | | | trans | -56.5 | 140.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | T138 G142 S143 | T138-G140 PolarHBondContact O-N 3.42Å; G140-G142 PolarHBondContact O-N 3.08Å; G140-S143 PolarHBondContact O-N 3.17Å; G140-S143 PolarHBondContact O-OG 2.8Å |
| 141 | A | 55.5 | Low | 53 | Low | 119 Ų | 119 | 115.7 Ų | 115.7 | 98% | 0.983 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 106.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 142 | G | 56.3 | Low | 53.4 | Low | 83 Ų | 83 | 112 Ų | 112 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.8 | -6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G140 | G140-G142 PolarHBondContact O-N 3.08Š|
| 143 | S | 55.9 | Low | 53.6 | Low | 34 Ų | 34 | 109.5 Ų | 109.5 | 24% | 0.238 | 66% | 0.655 | C | S | . | * | | | trans | -82.3 | 129.8 | 173.6 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | G140 I145 C146 | G140-S143 PolarHBondContact O-N 3.17Å; G140-S143 PolarHBondContact O-OG 2.8Å; S143-I145 PolarHBondContact O-N 3.17Å; S143-C146 WeakPolarHBondContact O-CB 3.45Å; S143-C146 PolarHBondContact O-N 2.89Å |
| 144 | D | 58 | Low | 53.5 | Low | 125 Ų | 125 | 101.5 Ų | 101.5 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -51.9 | -18.4 | 169.6 | 56 | -42.5 | 0 | 0 | 0 | 113.9 | C146 F147 M148 | D144-C146 VanDerWaalsContact C-N 3.31Å; D144-C146 PolarHBondContact O-N 2.68Å; D144-F147 WeakPolarHBondContact O-CB 3.35Å; D144-F147 PolarHBondContact O-N 3.26Å; D144-M148 PolarHBondContact O-N 2.95Å; D144-M148 VanDerWaalsContact O-N 3.16Å |
| 145 | I | 58.3 | Low | 54 | Low | 104 Ų | 104 | 108.3 Ų | 108.3 | 53% | 0.533 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -57.3 | -40.8 | 170.6 | -65.1 | 167.2 | 0 | 0 | 0 | 111.8 | S143 F147 M148 Q149 | S143-I145 PolarHBondContact O-N 3.17Å; I145-F147 VanDerWaalsContact C-N 3.31Å; I145-F147 PolarHBondContact O-N 2.95Å; I145-M148 PolarHBondContact O-N 3.17Å; I145-Q149 PolarHBondContact O-N 2.81Å |
| 146 | C | 55.9 | Low | 54.5 | Low | 80 Ų | 80 | 112.8 Ų | 112.8 | 54% | 0.541 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.7 | -36.6 | 179 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | S143 D144 Q149 K150 | S143-C146 WeakPolarHBondContact O-CB 3.45Å; S143-C146 PolarHBondContact O-N 2.89Å; D144-C146 VanDerWaalsContact C-N 3.31Å; D144-C146 PolarHBondContact O-N 2.68Å; C146-Q149 PolarHBondContact O-N 2.74Å; C146-K150 PolarHBondContact O-N 2.89Å |
| 147 | F | 57.7 | Low | 54.3 | Low | 139 Ų | 139 | 111.7 Ų | 111.7 | 61% | 0.61 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.1 | -44.5 | 178.2 | -177 | -105.6 | 0 | 0 | 0 | 112 | D144 I145 Q149 K150 I151 | D144-F147 WeakPolarHBondContact O-CB 3.35Å; D144-F147 PolarHBondContact O-N 3.26Å; I145-F147 VanDerWaalsContact C-N 3.31Å; I145-F147 PolarHBondContact O-N 2.95Å; F147-Q149 VanDerWaalsContact C-N 3.3Å; F147-Q149 PolarHBondContact O-N 3Å; F147-K150 WeakPolarHBondContact O-CB 3.11Å; F147-K150 PolarHBondContact O-N 3.36Å; F147-I151 HydrophobicContact CD1-CD1 3.77Å; F147-I151 HydrophobicContact CE1-CD1 3.31Å; F147-I151 HydrophobicContact CE1-CG1 4.35Å; F147-I151 HydrophobicContact CE2-CD1 4.49Å; F147-I151 HydrophobicContact CZ-CD1 3.72Å; F147-I151 HydrophobicContact CZ-CG1 4.43Å; F147-I151 PolarHBondContact O-N 3.13Å; F147-I151 VanDerWaalsContact O-N 3.17Å |
| 148 | M | 59.9 | Low | 54.7 | Low | 127 Ų | 127 | 111.3 Ų | 111.3 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.7 | -36.6 | 176.5 | -71.6 | -125.4 | 73.7 | 0 | 0 | 112.7 | D144 I145 K150 I151 K152 | D144-M148 PolarHBondContact O-N 2.95Å; D144-M148 VanDerWaalsContact O-N 3.16Å; I145-M148 PolarHBondContact O-N 3.17Å; M148-K150 VanDerWaalsContact C-N 3.35Å; M148-I151 PolarHBondContact O-N 3.32Å; M148-K152 PolarHBondContact O-N 2.77Å |
| 149 | Q | 58.5 | Low | 54.8 | Low | 142 Ų | 142 | 111.3 Ų | 111.3 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.2 | -39.3 | 176.8 | -130.4 | 172.8 | 7.7 | 0 | 0 | 111.8 | I145 C146 F147 K152 A153 | I145-Q149 PolarHBondContact O-N 2.81Å; C146-Q149 PolarHBondContact O-N 2.74Å; F147-Q149 VanDerWaalsContact C-N 3.3Å; F147-Q149 PolarHBondContact O-N 3Å; Q149-K152 PolarHBondContact O-N 3.45Å; Q149-A153 PolarHBondContact O-N 2.98Å; Q149-A153 VanDerWaalsContact O-N 3.1Å |
| 150 | K | 56.7 | Low | 54.9 | Low | 162 Ų | 162 | 118.4 Ų | 118.4 | 70% | 0.704 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.1 | -39 | 178.6 | -145.8 | 176 | 172 | -176.7 | 0 | 112.4 | C146 F147 M148 S154 | C146-K150 PolarHBondContact O-N 2.89Å; F147-K150 WeakPolarHBondContact O-CB 3.11Å; F147-K150 PolarHBondContact O-N 3.36Å; M148-K150 VanDerWaalsContact C-N 3.35Å; K150-S154 PolarHBondContact O-N 3.24Å |
| 151 | I | 58.2 | Low | 54.8 | Low | 65 Ų | 65 | 122.2 Ų | 122.2 | 33% | 0.333 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -66.4 | -40.4 | 175.4 | -65.1 | 170.9 | 0 | 0 | 0 | 111.3 | F147 M148 A153 | F147-I151 HydrophobicContact CD1-CD1 3.77Å; F147-I151 HydrophobicContact CE1-CD1 3.31Å; F147-I151 HydrophobicContact CE1-CG1 4.35Å; F147-I151 HydrophobicContact CE2-CD1 4.49Å; F147-I151 HydrophobicContact CZ-CD1 3.72Å; F147-I151 HydrophobicContact CZ-CG1 4.43Å; F147-I151 PolarHBondContact O-N 3.13Å; F147-I151 VanDerWaalsContact O-N 3.17Å; M148-I151 PolarHBondContact O-N 3.32Å; I151-A153 VanDerWaalsContact C-N 3.35Å |
| 152 | K | 56.5 | Low | 54.4 | Low | 146 Ų | 146 | 124.8 Ų | 124.8 | 64% | 0.635 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.1 | -29.7 | -178.2 | -161.4 | 170 | -179.2 | 176.3 | 0 | 112.7 | M148 Q149 | M148-K152 PolarHBondContact O-N 2.77Å; Q149-K152 PolarHBondContact O-N 3.45Å |
| 153 | A | 53.8 | Low | 54 | Low | 63 Ų | 63 | 126.3 Ų | 126.3 | 52% | 0.521 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -75.2 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q149 I151 R155 R156 | Q149-A153 PolarHBondContact O-N 2.98Å; Q149-A153 VanDerWaalsContact O-N 3.1Å; I151-A153 VanDerWaalsContact C-N 3.35Å; A153-R155 VanDerWaalsContact C-N 3.29Å; A153-R155 PolarHBondContact O-N 3.15Å; A153-R156 PolarHBondContact O-N 3.05Å; A153-R156 VanDerWaalsContact O-N 3.09Å |
| 154 | S | 52.2 | Low | 53.6 | Low | 91 Ų | 91 | 131.3 Ų | 131.3 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -59.3 | -38.4 | -179.9 | 177.8 | 0 | 0 | 0 | 0 | 112.8 | K150 R156 S157 | K150-S154 PolarHBondContact O-N 3.24Å; S154-R156 PolarHBondContact O-N 3.28Å; S154-S157 PolarHBondContact O-N 3.4Å |
| 155 | R | 52.6 | Low | 52.8 | Low | 201 Ų | 201 | 132.3 Ų | 132.3 | 76% | 0.758 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -7.7 | 179.1 | -61.8 | -175.4 | -171.9 | -134.8 | 1.8 | 114.7 | A153 | A153-R155 VanDerWaalsContact C-N 3.29Å; A153-R155 PolarHBondContact O-N 3.15Å |
| 156 | R | 54 | Low | 51.9 | Low | 203 Ų | 203 | 134.2 Ų | 134.2 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -9.8 | 177.4 | -71.5 | -175.9 | 169.8 | -174.3 | -4.5 | 113.7 | A153 S154 | A153-R156 PolarHBondContact O-N 3.05Å; A153-R156 VanDerWaalsContact O-N 3.09Å; S154-R156 PolarHBondContact O-N 3.28Å |
| 157 | S | 46.7 | Very low | 51.7 | Low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -87.4 | -5.7 | 178.3 | -163.7 | 0 | 0 | 0 | 0 | 114.2 | S154 | S154-S157 PolarHBondContact O-N 3.4Š|
| 158 | A | 51.2 | Low | 51.4 | Low | 86 Ų | 86 | 136.8 Ų | 136.8 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -100.6 | 16.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 159 | V | 52.6 | Low | 50.9 | Low | 128 Ų | 128 | 137.3 Ų | 137.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -129.8 | 33 | 177.9 | -164 | 0 | 0 | 0 | 0 | 111.9 | | |
| 160 | R | 51.7 | Low | 50.5 | Low | 232 Ų | 232 | 137.1 Ų | 137.1 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -145.6 | 47.6 | 179.3 | -120.4 | -177 | -166.6 | 171.4 | 2.2 | 115.1 | | |
| 161 | T | 48.3 | Very low | 50.1 | Low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | | | trans | -152 | 65 | 164 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 162 | L | 46.9 | Very low | 49.6 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -149.5 | 76.7 | 159.5 | -87.8 | 178.1 | 0 | 0 | 0 | 107.7 | | |
| 163 | S | 48.8 | Very low | 49.1 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -176.3 | 68.1 | 163.5 | 25.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 164 | V | 47.5 | Very low | 48.7 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 84% | 0.842 | 84% | 0.844 | S | S | * | * | | | trans | -164.4 | 100.1 | 146.2 | 175.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 165 | V | 41.1 | Very low | 48.4 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 89% | 0.891 | 86% | 0.862 | S | S | * | * | | | | -153.4 | 102.8 | 129.1 | -178.1 | 0 | 0 | 0 | 0 | 104.6 | | |
| 166 | G | 39.4 | Very low | 48 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 100% | 1.474 | 87% | 0.871 | S | S | * | * | | | trans | -91.7 | 0 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |