| 1 | M | 55.2 | Low | 46.9 | Very low | 250 Ų | 250 | 163.8 Ų | 163.8 | 100% | 1.232 | 85% | 0.847 | S | S | * | * | | | | 0 | 153.3 | 0 | -57.8 | -171.8 | 81.2 | 0 | 0 | 108.4 | | |
| 2 | S | 36.4 | Very low | 47 | Very low | 105 Ų | 105 | 160 Ų | 160 | 73% | 0.734 | 85% | 0.845 | S | S | * | * | | | trans | -102.3 | 139.8 | -178.9 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 3 | V | 57.2 | Low | 46.9 | Very low | 149 Ų | 149 | 159.1 Ų | 159.1 | 90% | 0.903 | 85% | 0.85 | S | S | * | * | | | trans | -142.3 | 115.4 | 157.1 | -168.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 4 | H | 44.6 | Very low | 46.5 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 79% | 0.787 | 84% | 0.838 | S | S | * | * | | | trans | -85.7 | 146.7 | 168.2 | -81.8 | -106.9 | 0 | 0 | 0 | 110.4 | | |
| 5 | R | 46.9 | Very low | 46.1 | Very low | 232 Ų | 232 | 150.3 Ų | 150.3 | 88% | 0.875 | 84% | 0.838 | S | S | * | * | | | | -174.1 | 126.4 | 125.3 | -99.1 | 155.5 | 178.2 | 172.1 | 0.1 | 109.1 | | |
| 6 | V | 54.1 | Low | 45.8 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | | | | 65.8 | 124.6 | 84.8 | 171.1 | 0 | 0 | 0 | 0 | 110 | | |
| 7 | R | 44.4 | Very low | 45.5 | Very low | 213 Ų | 213 | 148.8 Ų | 148.8 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | cis | -154.5 | 156.4 | 29.8 | -160.9 | 177 | 178.8 | 111 | -3.4 | 112.2 | | |
| 8 | L | 49.3 | Very low | 45.4 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | | | trans | 143.4 | 93.3 | 135.3 | -78.4 | 173.4 | 0 | 0 | 0 | 111.7 | | |
| 9 | E | 38.4 | Very low | 44.9 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | | | trans | -72.1 | 136.2 | 160.2 | -65.6 | 145.2 | 113.4 | 0 | 0 | 109.1 | | |
| 10 | S | 44.7 | Very low | 44.3 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | | | trans | -151.7 | 107 | 168.2 | -75.4 | 0 | 0 | 0 | 0 | 108.6 | S12 | S10-S12 PolarHBondContact O-N 3.42Š|
| 11 | S | 45.1 | Very low | 43.9 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -69.3 | 121.3 | -169 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 12 | S | 47.6 | Very low | 43.3 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -138.5 | 92 | 161.4 | -168.7 | 0 | 0 | 0 | 0 | 109.2 | S10 G14 | S10-S12 PolarHBondContact O-N 3.42Å; S12-G14 PolarHBondContact O-N 3.22Å |
| 13 | T | 46.2 | Very low | 43.8 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | | | trans | -79.1 | 84.8 | -176.5 | -45.7 | 0 | 0 | 0 | 0 | 110 | | |
| 14 | G | 41.1 | Very low | 43.2 | Very low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -136.3 | 65.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S12 S16 | S12-G14 PolarHBondContact O-N 3.22Å; G14-S16 PolarHBondContact O-N 2.76Å |
| 15 | S | 40.6 | Very low | 43.3 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | -66 | 125.2 | -177.6 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 16 | S | 41.3 | Very low | 43.3 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | | | trans | -83.7 | 177.6 | 173.6 | 50 | 0 | 0 | 0 | 0 | 113.1 | G14 | G14-S16 PolarHBondContact O-N 2.76Š|
| 17 | F | 41.1 | Very low | 42.8 | Very low | 190 Ų | 190 | 128 Ų | 128 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | | | trans | 81.9 | 146.3 | 171.7 | -52.3 | -71.9 | 0 | 0 | 0 | 117.9 | | |
| 18 | P | 42.4 | Very low | 42.9 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | cis | -123.7 | -174.9 | -24 | 35 | -17.2 | 0 | 0 | 0 | 112.5 | | |
| 19 | A | 36.2 | Very low | 42.6 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | | | trans | -77.3 | 143.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 20 | D | 34.1 | Very low | 42.8 | Very low | 132 Ų | 132 | 117 Ų | 117 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | -133.7 | 154.2 | 153.2 | -174.6 | 25.4 | 0 | 0 | 0 | 110.5 | A22 K23 | D20-A22 PolarHBondContact O-N 3.26Å; D20-K23 IonicContact OD1-NZ 3.92Å; D20-K23 IonicContact OD2-NZ 3.52Å; D20-K23 PolarHBondContact OD2-NZ 3.47Å |
| 21 | S | 35.8 | Very low | 42.8 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 48% | 0.476 | 74% | 0.742 | S | S | . | * | | | trans | -51.1 | 111.5 | -179.9 | 52.7 | 0 | 0 | 0 | 0 | 115.9 | K23 | S21-K23 PolarHBondContact O-N 3.47Å; S21-K23 WeakPolarHBondContact OG-CE 3.42Å; S21-K23 PolarHBondContact OG-NZ 2.71Å; S21-K23 VanDerWaalsContact OG-NZ 3.09Å |
| 22 | A | 42.9 | Very low | 42.9 | Very low | 106 Ų | 106 | 115 Ų | 115 | 88% | 0.876 | 73% | 0.727 | S | S | * | * | | | trans | -69.3 | 88.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | D20 | D20-A22 PolarHBondContact O-N 3.26Š|
| 23 | K | 45.9 | Very low | 43 | Very low | 144 Ų | 144 | 115.6 Ų | 115.6 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 143.6 | -177.6 | -70.1 | 134.2 | -176 | 134.6 | 0 | 111.7 | D20 S21 | D20-K23 IonicContact OD1-NZ 3.92Å; D20-K23 IonicContact OD2-NZ 3.52Å; D20-K23 PolarHBondContact OD2-NZ 3.47Å; S21-K23 PolarHBondContact O-N 3.47Å; S21-K23 WeakPolarHBondContact OG-CE 3.42Å; S21-K23 PolarHBondContact OG-NZ 2.71Å; S21-K23 VanDerWaalsContact OG-NZ 3.09Å |
| 24 | P | 45.4 | Very low | 43.3 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 145.3 | -176.4 | 27.9 | -35.3 | 0 | 0 | 0 | 112.7 | | |
| 25 | V | 46.5 | Very low | 43.5 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.7 | 179.4 | -180 | 0 | 0 | 0 | 0 | 110.3 | | |
| 26 | P | 46.4 | Very low | 43.8 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -72 | 131.5 | -175 | 27.4 | -34.5 | 0 | 0 | 0 | 112.7 | A28 | P26-A28 PolarHBondContact O-N 3.4Š|
| 27 | L | 42.9 | Very low | 44.3 | Very low | 145 Ų | 145 | 118.5 Ų | 118.5 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | | | trans | -72.5 | 34.2 | -179.5 | -64.3 | 170.5 | 0 | 0 | 0 | 114.4 | V29 V30 | L27-V29 PolarHBondContact O-N 3.49Å; L27-V29 VanDerWaalsContact O-N 3.1Å; L27-V30 PolarHBondContact O-N 2.83Å |
| 28 | A | 46.9 | Very low | 44.7 | Very low | 64 Ų | 64 | 113.9 Ų | 113.9 | 53% | 0.529 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -23.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P26 V30 | P26-A28 PolarHBondContact O-N 3.4Å; A28-V30 VanDerWaalsContact C-N 3.34Å; A28-V30 PolarHBondContact O-N 2.71Å |
| 29 | V | 43.4 | Very low | 45.4 | Very low | 136 Ų | 136 | 110.8 Ų | 110.8 | 82% | 0.824 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -31.6 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | L27 | L27-V29 PolarHBondContact O-N 3.49Å; L27-V29 VanDerWaalsContact O-N 3.1Å |
| 30 | V | 43.3 | Very low | 46.1 | Very low | 114 Ų | 114 | 107.6 Ų | 107.6 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -29.3 | -175.2 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | L27 A28 L32 | L27-V30 PolarHBondContact O-N 2.83Å; A28-V30 VanDerWaalsContact C-N 3.34Å; A28-V30 PolarHBondContact O-N 2.71Å; V30-L32 VanDerWaalsContact C-N 3.29Å; V30-L32 PolarHBondContact O-N 3.31Å |
| 31 | S | 44 | Very low | 47 | Very low | 83 Ų | 83 | 107.9 Ų | 107.9 | 58% | 0.58 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -11.8 | -179.3 | -60.4 | 0 | 0 | 0 | 0 | 114.4 | D33 | S31-D33 VanDerWaalsContact C-N 3.32Å; S31-D33 PolarHBondContact O-N 3.34Å |
| 32 | L | 47.1 | Very low | 47.8 | Very low | 105 Ų | 105 | 113.9 Ų | 113.9 | 55% | 0.55 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.3 | -36.4 | -174.9 | -144.8 | 80.4 | 0 | 0 | 0 | 112.6 | V30 H35 W36 | V30-L32 VanDerWaalsContact C-N 3.29Å; V30-L32 PolarHBondContact O-N 3.31Å; L32-H35 PolarHBondContact O-N 3.5Å; L32-W36 VanDerWaalsContact O-CD1 3.3Å; L32-W36 PolarHBondContact O-N 2.89Å |
| 33 | D | 50.1 | Low | 48.6 | Very low | 132 Ų | 132 | 116 Ų | 116 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.7 | -43.6 | -171.5 | -158.8 | 41.4 | 0 | 0 | 0 | 112.3 | S31 H35 A37 | S31-D33 VanDerWaalsContact C-N 3.32Å; S31-D33 PolarHBondContact O-N 3.34Å; D33-H35 PolarHBondContact O-N 3.37Å; D33-A37 PolarHBondContact O-N 2.69Å; D33-A37 VanDerWaalsContact O-N 3.16Å |
| 34 | K | 52 | Low | 48.8 | Very low | 174 Ų | 174 | 112.4 Ų | 112.4 | 76% | 0.757 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.3 | -41 | 177.1 | -64.3 | -174.9 | 178.6 | -178.8 | 0 | 112.2 | E38 | K34-E38 PolarHBondContact O-N 3.31Å |
| 35 | H | 46.2 | Very low | 49.3 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 57% | 0.569 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.5 | -35.5 | -176.1 | -162.2 | -107.5 | 0 | 0 | 0 | 112.4 | L32 D33 I39 | L32-H35 PolarHBondContact O-N 3.5Å; D33-H35 PolarHBondContact O-N 3.37Å; H35-I39 WeakPolarHBondContact ND1-CD1 3.38Å; H35-I39 WeakPolarHBondContact O-CG1 3.43Å; H35-I39 PolarHBondContact O-N 2.75Å |
| 36 | W | 46.8 | Very low | 50.1 | Low | 135 Ų | 135 | 115.4 Ų | 115.4 | 51% | 0.511 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.6 | -40.3 | 173.3 | -84.3 | 111.7 | 0 | 0 | 0 | 112.9 | L32 T40 | L32-W36 VanDerWaalsContact O-CD1 3.3Å; L32-W36 PolarHBondContact O-N 2.89Å; W36-T40 HydrophobicContact CE3-CG2 4.49Å; W36-T40 WeakPolarHBondContact O-CB 3.39Å; W36-T40 WeakPolarHBondContact O-CG2 3.41Å; W36-T40 PolarHBondContact O-N 2.99Å; W36-T40 PolarHBondContact O-OG1 3Å |
| 37 | A | 50.7 | Low | 51.1 | Low | 49 Ų | 49 | 115 Ų | 115 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.2 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D33 T40 L41 | D33-A37 PolarHBondContact O-N 2.69Å; D33-A37 VanDerWaalsContact O-N 3.16Å; A37-T40 PolarHBondContact O-OG1 3.33Å; A37-L41 WeakPolarHBondContact O-CB 3.45Å; A37-L41 WeakPolarHBondContact O-CG 3.38Å; A37-L41 PolarHBondContact O-N 3.07Å |
| 38 | E | 49.8 | Very low | 52.2 | Low | 93 Ų | 93 | 111.3 Ų | 111.3 | 44% | 0.435 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.2 | -43.1 | 179.3 | -174.8 | 162.6 | -157.1 | 0 | 0 | 113 | K34 R42 | K34-E38 PolarHBondContact O-N 3.31Å; E38-R42 HydrophobicContact CG-CG 4.22Å; E38-R42 VanDerWaalsContact O-CB 3.31Å; E38-R42 WeakPolarHBondContact O-CB 3.33Å; E38-R42 WeakPolarHBondContact O-CG 3.31Å; E38-R42 PolarHBondContact O-N 2.96Å; E38-R42 IonicContact OE1-CZ 2.71Å; E38-R42 IonicContact OE1-NE 3.15Å; E38-R42 PolarHBondContact OE1-NE 2.94Å; E38-R42 IonicContact OE1-NH2 3.76Å; E38-R42 PolarHBondContact OE1-NH2 3.42Å |
| 39 | I | 56.3 | Low | 53.4 | Low | 58 Ų | 58 | 111.1 Ų | 111.1 | 30% | 0.297 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.3 | -49.6 | 175.8 | -73.8 | 173.3 | 0 | 0 | 0 | 110.9 | H35 L41 R42 Q43 | H35-I39 WeakPolarHBondContact ND1-CD1 3.38Å; H35-I39 WeakPolarHBondContact O-CG1 3.43Å; H35-I39 PolarHBondContact O-N 2.75Å; I39-L41 PolarHBondContact O-N 3.47Å; I39-R42 PolarHBondContact O-N 3.36Å; I39-Q43 WeakPolarHBondContact O-CB 3.43Å; I39-Q43 PolarHBondContact O-N 2.91Å |
| 40 | T | 51.9 | Low | 54.5 | Low | 38 Ų | 38 | 105.5 Ų | 105.5 | 23% | 0.233 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -67.9 | -35.8 | -175.3 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | W36 A37 H44 | W36-T40 HydrophobicContact CE3-CG2 4.49Å; W36-T40 WeakPolarHBondContact O-CB 3.39Å; W36-T40 WeakPolarHBondContact O-CG2 3.41Å; W36-T40 PolarHBondContact O-N 2.99Å; W36-T40 PolarHBondContact O-OG1 3Å; A37-T40 PolarHBondContact O-OG1 3.33Å; T40-H44 WeakPolarHBondContact O-CB 3.33Å; T40-H44 PolarHBondContact O-N 3.46Å; T40-H44 VanDerWaalsContact O-N 3.13Å |
| 41 | L | 52 | Low | 55.8 | Low | 137 Ų | 137 | 105.9 Ų | 105.9 | 72% | 0.717 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.8 | -35 | 174.2 | -75.4 | 167.6 | 0 | 0 | 0 | 113.6 | A37 I39 | A37-L41 WeakPolarHBondContact O-CB 3.45Å; A37-L41 WeakPolarHBondContact O-CG 3.38Å; A37-L41 PolarHBondContact O-N 3.07Å; I39-L41 PolarHBondContact O-N 3.47Å |
| 42 | R | 54.3 | Low | 57.2 | Low | 195 Ų | 195 | 107.7 Ų | 107.7 | 74% | 0.736 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -77.5 | -32.5 | 178.8 | -72 | -173.3 | -174.5 | -87.9 | 5.3 | 113.6 | E38 I39 | E38-R42 HydrophobicContact CG-CG 4.22Å; E38-R42 VanDerWaalsContact O-CB 3.31Å; E38-R42 WeakPolarHBondContact O-CB 3.33Å; E38-R42 WeakPolarHBondContact O-CG 3.31Å; E38-R42 PolarHBondContact O-N 2.96Å; E38-R42 IonicContact OE1-CZ 2.71Å; E38-R42 IonicContact OE1-NE 3.15Å; E38-R42 PolarHBondContact OE1-NE 2.94Å; E38-R42 IonicContact OE1-NH2 3.76Å; E38-R42 PolarHBondContact OE1-NH2 3.42Å; I39-R42 PolarHBondContact O-N 3.36Å |
| 43 | Q | 58.8 | Low | 58.5 | Low | 151 Ų | 151 | 105.3 Ų | 105.3 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -94.4 | -31.5 | -177 | -68 | -173.8 | -26.4 | 0 | 0 | 114.1 | I39 | I39-Q43 WeakPolarHBondContact O-CB 3.43Å; I39-Q43 PolarHBondContact O-N 2.91Å |
| 44 | H | 50.2 | Low | 59.4 | Low | 68 Ų | 68 | 105.6 Ų | 105.6 | 32% | 0.315 | 52% | 0.522 | S | S | . | . | | | trans | -99.9 | 98.8 | 177 | -68.7 | -58.4 | 0 | 0 | 0 | 112.4 | T40 S46 V49 A50 | T40-H44 WeakPolarHBondContact O-CB 3.33Å; T40-H44 PolarHBondContact O-N 3.46Å; T40-H44 VanDerWaalsContact O-N 3.13Å; H44-S46 PolarHBondContact O-N 2.91Å; H44-V49 HydrophobicContact CB-CB 4.39Å; H44-V49 VanDerWaalsContact CE1-CG1 3.47Å; H44-V49 WeakPolarHBondContact CE1-CG1 3.33Å; H44-V49 WeakPolarHBondContact ND1-CG1 3.33Å; H44-A50 HydrophobicContact CB-CB 4.44Å |
| 45 | R | 55.7 | Low | 60.5 | Low | 265 Ų | 265 | 100 Ų | 100 | 100% | 1 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -58.7 | 6 | 168.3 | -116.3 | 179.9 | -176.5 | 166.2 | 1.1 | 115.3 | | |
| 46 | S | 64.1 | Low | 61.8 | Low | 51 Ų | 51 | 101.3 Ų | 101.3 | 36% | 0.357 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -143.5 | 120.3 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | H44 A48 V49 | H44-S46 PolarHBondContact O-N 2.91Å; S46-A48 PolarHBondContact O-N 3.49Å; S46-A48 VanDerWaalsContact O-N 3.16Å; S46-V49 PolarHBondContact O-N 3.25Å; S46-V49 VanDerWaalsContact O-N 3.09Å |
| 47 | P | 66.9 | Low | 63 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.6 | -21.2 | -178.7 | 26.6 | -34.7 | 0 | 0 | 0 | 112.7 | V49 A50 M51 | P47-V49 VanDerWaalsContact C-N 3.26Å; P47-V49 PolarHBondContact O-N 3.44Å; P47-A50 PolarHBondContact O-N 3.4Å; P47-M51 WeakPolarHBondContact O-CB 3.44Å; P47-M51 WeakPolarHBondContact O-CG 3.43Å; P47-M51 PolarHBondContact O-N 3.16Å |
| 48 | A | 65.1 | Low | 63.9 | Low | 67 Ų | 67 | 98.8 Ų | 98.8 | 55% | 0.554 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -32.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S46 L52 | S46-A48 PolarHBondContact O-N 3.49Å; S46-A48 VanDerWaalsContact O-N 3.16Å; A48-L52 WeakPolarHBondContact O-CB 3.49Å; A48-L52 PolarHBondContact O-N 2.96Å |
| 49 | V | 72.5 | Confident | 64.8 | Low | 59 Ų | 59 | 100.7 Ų | 100.7 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77.1 | -43 | 178.7 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | H44 S46 P47 M51 L52 C53 | H44-V49 HydrophobicContact CB-CB 4.39Å; H44-V49 VanDerWaalsContact CE1-CG1 3.47Å; H44-V49 WeakPolarHBondContact CE1-CG1 3.33Å; H44-V49 WeakPolarHBondContact ND1-CG1 3.33Å; S46-V49 PolarHBondContact O-N 3.25Å; S46-V49 VanDerWaalsContact O-N 3.09Å; P47-V49 VanDerWaalsContact C-N 3.26Å; P47-V49 PolarHBondContact O-N 3.44Å; V49-M51 VanDerWaalsContact C-N 3.32Å; V49-M51 PolarHBondContact O-N 3.13Å; V49-L52 PolarHBondContact O-N 3.31Å; V49-L52 VanDerWaalsContact O-N 3.13Å; V49-C53 PolarHBondContact O-N 2.98Å; V49-C53 PolarHBondContact O-SG 3.4Å; V49-C53 VanDerWaalsContact O-SG 3.38Å |
| 50 | A | 65.8 | Low | 65.4 | Low | 19 Ų | 19 | 103.5 Ų | 103.5 | 16% | 0.157 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H44 P47 L52 C53 F54 | H44-A50 HydrophobicContact CB-CB 4.44Å; P47-A50 PolarHBondContact O-N 3.4Å; A50-L52 PolarHBondContact O-N 3.36Å; A50-C53 PolarHBondContact O-N 3.09Å; A50-F54 WeakPolarHBondContact O-CB 3.26Å; A50-F54 PolarHBondContact O-N 3.15Å |
| 51 | M | 71.3 | Confident | 66.3 | Low | 122 Ų | 122 | 106.5 Ų | 106.5 | 60% | 0.601 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 174.6 | -74 | -66.8 | -72.7 | 0 | 0 | 113.1 | P47 V49 N55 | P47-M51 WeakPolarHBondContact O-CB 3.44Å; P47-M51 WeakPolarHBondContact O-CG 3.43Å; P47-M51 PolarHBondContact O-N 3.16Å; V49-M51 VanDerWaalsContact C-N 3.32Å; V49-M51 PolarHBondContact O-N 3.13Å; M51-N55 WeakPolarHBondContact O-CB 3.38Å; M51-N55 PolarHBondContact O-N 2.69Å |
| 52 | L | 74.3 | Confident | 67.1 | Low | 120 Ų | 120 | 104.4 Ų | 104.4 | 63% | 0.628 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.1 | -44.2 | 176.9 | -173.9 | 66.7 | 0 | 0 | 0 | 111.6 | A48 V49 A50 N55 Y56 | A48-L52 WeakPolarHBondContact O-CB 3.49Å; A48-L52 PolarHBondContact O-N 2.96Å; V49-L52 PolarHBondContact O-N 3.31Å; V49-L52 VanDerWaalsContact O-N 3.13Å; A50-L52 PolarHBondContact O-N 3.36Å; L52-N55 PolarHBondContact O-N 3.05Å; L52-Y56 WeakPolarHBondContact O-CB 3.29Å; L52-Y56 PolarHBondContact O-N 3.02Å |
| 53 | C | 73.6 | Confident | 67.6 | Low | 56 Ų | 56 | 97.5 Ų | 97.5 | 38% | 0.378 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 174.9 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | V49 A50 N55 Y56 T57 | V49-C53 PolarHBondContact O-N 2.98Å; V49-C53 PolarHBondContact O-SG 3.4Å; V49-C53 VanDerWaalsContact O-SG 3.38Å; A50-C53 PolarHBondContact O-N 3.09Å; C53-N55 PolarHBondContact O-N 2.98Å; C53-Y56 PolarHBondContact O-N 3.42Å; C53-T57 PolarHBondContact O-N 3.04Å; C53-T57 PolarHBondContact O-OG1 3.38Å |
| 54 | F | 70.1 | Confident | 67.8 | Low | 137 Ų | 137 | 93.2 Ų | 93.2 | 60% | 0.601 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.4 | -47.2 | 174.6 | -178.9 | -98.1 | 0 | 0 | 0 | 111.7 | A50 Y56 T57 V58 | A50-F54 WeakPolarHBondContact O-CB 3.26Å; A50-F54 PolarHBondContact O-N 3.15Å; F54-Y56 VanDerWaalsContact C-N 3.32Å; F54-Y56 PolarHBondContact O-N 3.39Å; F54-T57 PolarHBondContact O-N 3.39Å; F54-V58 HydrophobicContact CD1-CG2 4.23Å; F54-V58 HydrophobicContact CD2-CG2 4.48Å; F54-V58 HydrophobicContact CE1-CG2 3.84Å; F54-V58 HydrophobicContact CE2-CG2 4.12Å; F54-V58 HydrophobicContact CZ-CG2 3.79Å; F54-V58 WeakPolarHBondContact O-CG2 3.34Å; F54-V58 PolarHBondContact O-N 3.39Å |
| 55 | N | 74.7 | Confident | 68 | Low | 56 Ų | 56 | 92.9 Ų | 92.9 | 30% | 0.299 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 178.5 | -156.5 | -83.9 | 0 | 0 | 0 | 111.9 | M51 L52 C53 R59 | M51-N55 WeakPolarHBondContact O-CB 3.38Å; M51-N55 PolarHBondContact O-N 2.69Å; L52-N55 PolarHBondContact O-N 3.05Å; C53-N55 PolarHBondContact O-N 2.98Å; N55-R59 VanDerWaalsContact O-CB 3.27Å; N55-R59 WeakPolarHBondContact O-CB 3.37Å; N55-R59 WeakPolarHBondContact O-CG 3.4Å; N55-R59 PolarHBondContact O-N 3.16Å; N55-R59 WeakPolarHBondContact OD1-CD 3.44Å |
| 56 | Y | 72.4 | Confident | 68 | Low | 152 Ų | 152 | 84.5 Ų | 84.5 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.7 | -47.6 | 175 | -172.2 | -94 | 0 | 0 | 0 | 112 | L52 C53 F54 R59 F60 | L52-Y56 WeakPolarHBondContact O-CB 3.29Å; L52-Y56 PolarHBondContact O-N 3.02Å; C53-Y56 PolarHBondContact O-N 3.42Å; F54-Y56 VanDerWaalsContact C-N 3.32Å; F54-Y56 PolarHBondContact O-N 3.39Å; Y56-R59 PolarHBondContact O-N 3.26Å; Y56-F60 WeakPolarHBondContact O-CB 3.36Å; Y56-F60 PolarHBondContact O-N 3.06Å |
| 57 | T | 72.5 | Confident | 67.5 | Low | 69 Ų | 69 | 87.3 Ų | 87.3 | 42% | 0.423 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | C53 F54 F60 L61 | C53-T57 PolarHBondContact O-N 3.04Å; C53-T57 PolarHBondContact O-OG1 3.38Å; F54-T57 PolarHBondContact O-N 3.39Å; T57-F60 PolarHBondContact O-N 3.49Å; T57-L61 HydrophobicContact CG2-CD1 4.1Å; T57-L61 WeakPolarHBondContact O-CG 3.46Å; T57-L61 PolarHBondContact O-N 2.91Å |
| 58 | V | 70.6 | Confident | 66.7 | Low | 62 Ų | 62 | 85.6 Ų | 85.6 | 38% | 0.376 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111 | F54 F60 L61 V62 | F54-V58 HydrophobicContact CD1-CG2 4.23Å; F54-V58 HydrophobicContact CD2-CG2 4.48Å; F54-V58 HydrophobicContact CE1-CG2 3.84Å; F54-V58 HydrophobicContact CE2-CG2 4.12Å; F54-V58 HydrophobicContact CZ-CG2 3.79Å; F54-V58 WeakPolarHBondContact O-CG2 3.34Å; F54-V58 PolarHBondContact O-N 3.39Å; V58-F60 VanDerWaalsContact C-N 3.33Å; V58-F60 PolarHBondContact O-N 3.35Å; V58-L61 PolarHBondContact O-N 3Å; V58-V62 HydrophobicContact CG1-CG2 4.45Å; V58-V62 WeakPolarHBondContact O-CB 3.33Å; V58-V62 WeakPolarHBondContact O-CG2 3.43Å; V58-V62 PolarHBondContact O-N 3.2Å |
| 59 | R | 68.5 | Low | 65.9 | Low | 132 Ų | 132 | 89.2 Ų | 89.2 | 50% | 0.498 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 175 | -76.5 | -179.7 | 69 | 91.1 | 6.8 | 112 | N55 Y56 S63 F455 | N55-R59 VanDerWaalsContact O-CB 3.27Å; N55-R59 WeakPolarHBondContact O-CB 3.37Å; N55-R59 WeakPolarHBondContact O-CG 3.4Å; N55-R59 PolarHBondContact O-N 3.16Å; N55-R59 WeakPolarHBondContact OD1-CD 3.44Å; Y56-R59 PolarHBondContact O-N 3.26Å; R59-S63 WeakPolarHBondContact O-CB 3.47Å; R59-S63 PolarHBondContact O-N 3.37Å; R59-S63 PolarHBondContact O-OG 3.05Å; R59-F455 VanDerWaalsContact NH1-CZ 3.29Å |
| 60 | F | 68.3 | Low | 64.8 | Low | 118 Ų | 118 | 92.2 Ų | 92.2 | 52% | 0.518 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -50.8 | 177.2 | -176 | -96.4 | 0 | 0 | 0 | 111.1 | Y56 T57 V58 V62 S63 V64 | Y56-F60 WeakPolarHBondContact O-CB 3.36Å; Y56-F60 PolarHBondContact O-N 3.06Å; T57-F60 PolarHBondContact O-N 3.49Å; V58-F60 VanDerWaalsContact C-N 3.33Å; V58-F60 PolarHBondContact O-N 3.35Å; F60-V62 VanDerWaalsContact C-N 3.31Å; F60-V62 PolarHBondContact O-N 3.09Å; F60-S63 PolarHBondContact O-N 3.29Å; F60-V64 HydrophobicContact CD1-CG2 4.18Å; F60-V64 HydrophobicContact CE1-CG2 3.82Å; F60-V64 HydrophobicContact CE2-CG2 4.37Å; F60-V64 HydrophobicContact CZ-CG2 3.92Å; F60-V64 WeakPolarHBondContact O-CG2 3.34Å; F60-V64 PolarHBondContact O-N 2.85Å |
| 61 | L | 70.9 | Confident | 64 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -35.7 | 178.3 | -68.8 | 172.2 | 0 | 0 | 0 | 113 | T57 V58 P65 | T57-L61 HydrophobicContact CG2-CD1 4.1Å; T57-L61 WeakPolarHBondContact O-CG 3.46Å; T57-L61 PolarHBondContact O-N 2.91Å; V58-L61 PolarHBondContact O-N 3Å; L61-P65 WeakPolarHBondContact O-CD 3.46Å |
| 62 | V | 69.3 | Low | 62.8 | Low | 94 Ų | 94 | 97.3 Ų | 97.3 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74.8 | -32.3 | 173.2 | 173.3 | 0 | 0 | 0 | 0 | 112 | V58 F60 V66 | V58-V62 HydrophobicContact CG1-CG2 4.45Å; V58-V62 WeakPolarHBondContact O-CB 3.33Å; V58-V62 WeakPolarHBondContact O-CG2 3.43Å; V58-V62 PolarHBondContact O-N 3.2Å; F60-V62 VanDerWaalsContact C-N 3.31Å; F60-V62 PolarHBondContact O-N 3.09Å; V62-V66 WeakPolarHBondContact O-CG2 3.35Å |
| 63 | S | 63.6 | Low | 61.5 | Low | 49 Ų | 49 | 94.4 Ų | 94.4 | 34% | 0.343 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -74.9 | -34.8 | -179.5 | -60.4 | 0 | 0 | 0 | 0 | 113.1 | R59 F60 V66 L67 | R59-S63 WeakPolarHBondContact O-CB 3.47Å; R59-S63 PolarHBondContact O-N 3.37Å; R59-S63 PolarHBondContact O-OG 3.05Å; F60-S63 PolarHBondContact O-N 3.29Å; S63-V66 PolarHBondContact O-N 3.15Å; S63-V66 VanDerWaalsContact O-N 3.15Å; S63-L67 WeakPolarHBondContact O-CB 3.39Å; S63-L67 WeakPolarHBondContact O-CG 2.99Å; S63-L67 PolarHBondContact O-N 2.98Å |
| 64 | V | 62.6 | Low | 60.1 | Low | 61 Ų | 61 | 93.7 Ų | 93.7 | 37% | 0.37 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.9 | -52.3 | -177.2 | 164.7 | 0 | 0 | 0 | 0 | 112.2 | F60 V66 L67 S68 | F60-V64 HydrophobicContact CD1-CG2 4.18Å; F60-V64 HydrophobicContact CE1-CG2 3.82Å; F60-V64 HydrophobicContact CE2-CG2 4.37Å; F60-V64 HydrophobicContact CZ-CG2 3.92Å; F60-V64 WeakPolarHBondContact O-CG2 3.34Å; F60-V64 PolarHBondContact O-N 2.85Å; V64-V66 VanDerWaalsContact C-N 3.28Å; V64-V66 PolarHBondContact O-N 3.1Å; V64-L67 PolarHBondContact O-N 3.07Å; V64-S68 PolarHBondContact O-N 3.2Å; V64-S68 PolarHBondContact O-OG 3.45Å; V64-S68 VanDerWaalsContact O-OG 3.13Å |
| 65 | P | 55.9 | Low | 59 | Low | 62 Ų | 62 | 95.9 Ų | 95.9 | 40% | 0.403 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -33 | 175.7 | -25.1 | 34.8 | 0 | 0 | 0 | 114.1 | L61 R69 | L61-P65 WeakPolarHBondContact O-CD 3.46Å; P65-R69 VanDerWaalsContact O-CG 3.27Å; P65-R69 WeakPolarHBondContact O-CG 3.45Å; P65-R69 PolarHBondContact O-N 3.16Å; P65-R69 VanDerWaalsContact O-N 3.09Å |
| 66 | V | 56.1 | Low | 57.5 | Low | 89 Ų | 89 | 97.2 Ų | 97.2 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.8 | -42.1 | 178.2 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | V62 S63 V64 R69 L70 | V62-V66 WeakPolarHBondContact O-CG2 3.35Å; S63-V66 PolarHBondContact O-N 3.15Å; S63-V66 VanDerWaalsContact O-N 3.15Å; V64-V66 VanDerWaalsContact C-N 3.28Å; V64-V66 PolarHBondContact O-N 3.1Å; V66-R69 PolarHBondContact O-N 3.19Å; V66-L70 WeakPolarHBondContact O-CB 3.38Å; V66-L70 PolarHBondContact O-N 3.01Å |
| 67 | L | 52.2 | Low | 55.9 | Low | 109 Ų | 109 | 92.3 Ų | 92.3 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 174.7 | -73.9 | 163.8 | 0 | 0 | 0 | 111.6 | S63 V64 R69 L70 F71 | S63-L67 WeakPolarHBondContact O-CB 3.39Å; S63-L67 WeakPolarHBondContact O-CG 2.99Å; S63-L67 PolarHBondContact O-N 2.98Å; V64-L67 PolarHBondContact O-N 3.07Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 2.97Å; L67-F71 WeakPolarHBondContact O-CB 3.44Å; L67-F71 PolarHBondContact O-N 3.1Å |
| 68 | S | 49.9 | Very low | 54.3 | Low | 64 Ų | 64 | 95.8 Ų | 95.8 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | V64 N72 | V64-S68 PolarHBondContact O-N 3.2Å; V64-S68 PolarHBondContact O-OG 3.45Å; V64-S68 VanDerWaalsContact O-OG 3.13Å; S68-N72 WeakPolarHBondContact O-CB 3.5Å; S68-N72 PolarHBondContact O-N 3.49Å |
| 69 | R | 49.1 | Very low | 52.7 | Low | 144 Ų | 144 | 96.6 Ų | 96.6 | 54% | 0.543 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 174.3 | -71.9 | 175.7 | -156.8 | -161.5 | 6.5 | 112.1 | P65 V66 L67 F71 N72 A73 L182 | P65-R69 VanDerWaalsContact O-CG 3.27Å; P65-R69 WeakPolarHBondContact O-CG 3.45Å; P65-R69 PolarHBondContact O-N 3.16Å; P65-R69 VanDerWaalsContact O-N 3.09Å; V66-R69 PolarHBondContact O-N 3.19Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 2.97Å; R69-F71 PolarHBondContact O-N 3.23Å; R69-N72 PolarHBondContact O-N 3.3Å; R69-A73 VanDerWaalsContact O-CB 3.25Å; R69-A73 WeakPolarHBondContact O-CB 3.47Å; R69-A73 PolarHBondContact O-N 2.75Å; R69-L182 VanDerWaalsContact NH2-CD2 3.35Å |
| 70 | L | 49 | Very low | 51.3 | Low | 121 Ų | 121 | 101 Ų | 101 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 179.8 | -169.3 | 68.9 | 0 | 0 | 0 | 111.7 | V66 L67 G74 | V66-L70 WeakPolarHBondContact O-CB 3.38Å; V66-L70 PolarHBondContact O-N 3.01Å; L67-L70 PolarHBondContact O-N 2.97Å; L70-G74 PolarHBondContact O-N 2.69Å |
| 71 | F | 48.3 | Very low | 49.9 | Very low | 146 Ų | 146 | 99.1 Ų | 99.1 | 64% | 0.64 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.3 | -41.4 | 178.3 | -157 | -97.9 | 0 | 0 | 0 | 112 | L67 R69 R75 | L67-F71 WeakPolarHBondContact O-CB 3.44Å; L67-F71 PolarHBondContact O-N 3.1Å; R69-F71 PolarHBondContact O-N 3.23Å; F71-R75 PolarHBondContact O-N 3.01Å; F71-R75 VanDerWaalsContact O-N 3.1Å |
| 72 | N | 46.3 | Very low | 48.2 | Very low | 103 Ų | 103 | 97.2 Ų | 97.2 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.9 | -37.5 | 175.5 | -78.4 | -18.3 | 0 | 0 | 0 | 112.8 | S68 R69 R75 S76 | S68-N72 WeakPolarHBondContact O-CB 3.5Å; S68-N72 PolarHBondContact O-N 3.49Å; R69-N72 PolarHBondContact O-N 3.3Å; N72-R75 PolarHBondContact O-N 2.9Å; N72-S76 PolarHBondContact O-N 3.42Å; N72-S76 PolarHBondContact O-OG 3.49Å |
| 73 | A | 48.5 | Very low | 46.7 | Very low | 59 Ų | 59 | 99.5 Ų | 99.5 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.1 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | R69 R75 S76 G77 | R69-A73 VanDerWaalsContact O-CB 3.25Å; R69-A73 WeakPolarHBondContact O-CB 3.47Å; R69-A73 PolarHBondContact O-N 2.75Å; A73-R75 VanDerWaalsContact C-N 3.3Å; A73-R75 PolarHBondContact O-N 2.94Å; A73-S76 PolarHBondContact O-N 3.5Å; A73-S76 PolarHBondContact O-OG 3.38Å; A73-G77 PolarHBondContact O-N 2.93Å |
| 74 | G | 44.1 | Very low | 45.4 | Very low | 40 Ų | 40 | 100.4 Ų | 100.4 | 41% | 0.412 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.2 | -38.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | L70 | L70-G74 PolarHBondContact O-N 2.69Å |
| 75 | R | 46.1 | Very low | 44.3 | Very low | 184 Ų | 184 | 105.3 Ų | 105.3 | 69% | 0.694 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.6 | -39.4 | 176.2 | -110.2 | 177.9 | 170.1 | 172.3 | -3.3 | 113.7 | F71 N72 A73 | F71-R75 PolarHBondContact O-N 3.01Å; F71-R75 VanDerWaalsContact O-N 3.1Å; N72-R75 PolarHBondContact O-N 2.9Å; A73-R75 VanDerWaalsContact C-N 3.3Å; A73-R75 PolarHBondContact O-N 2.94Å |
| 76 | S | 43.7 | Very low | 43.2 | Very low | 84 Ų | 84 | 107.1 Ų | 107.1 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -81 | -25.7 | -177.3 | 58.8 | 0 | 0 | 0 | 0 | 114 | N72 A73 | N72-S76 PolarHBondContact O-N 3.42Å; N72-S76 PolarHBondContact O-OG 3.49Å; A73-S76 PolarHBondContact O-N 3.5Å; A73-S76 PolarHBondContact O-OG 3.38Å |
| 77 | G | 39.1 | Very low | 42.3 | Very low | 49 Ų | 49 | 105.8 Ų | 105.8 | 51% | 0.505 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71.4 | -42.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A73 | A73-G77 PolarHBondContact O-N 2.93Å |
| 78 | L | 37.7 | Very low | 41.5 | Very low | 142 Ų | 142 | 108.2 Ų | 108.2 | 74% | 0.743 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.9 | -27.3 | -174.4 | -78.5 | 165.9 | 0 | 0 | 0 | 113.9 | R80 | L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.89Å |
| 79 | S | 38.1 | Very low | 40.9 | Very low | 78 Ų | 78 | 110.7 Ų | 110.7 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -77.5 | -8.9 | -176.8 | -162.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 80 | R | 37.9 | Very low | 40.3 | Very low | 226 Ų | 226 | 109.8 Ų | 109.8 | 85% | 0.853 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -111.4 | -11.1 | -175.5 | -150.9 | 172.2 | -173 | 175.8 | 2 | 114.7 | L78 | L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.89Å |
| 81 | A | 38.8 | Very low | 39.6 | Very low | 77 Ų | 77 | 113.5 Ų | 113.5 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -102.2 | -22.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 82 | G | 35.6 | Very low | 39 | Very low | 60 Ų | 60 | 110.4 Ų | 110.4 | 62% | 0.619 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -86.3 | -7.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 83 | Q | 38.1 | Very low | 38.7 | Very low | 142 Ų | 142 | 114.1 Ų | 114.1 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -111.2 | 7.2 | -167 | -155 | 162.5 | -26.3 | 0 | 0 | 113.8 | | |
| 84 | A | 36.5 | Very low | 38.1 | Very low | 68 Ų | 68 | 115.9 Ų | 115.9 | 56% | 0.562 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -99.8 | -9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 85 | H | 38.9 | Very low | 37.7 | Very low | 164 Ų | 164 | 118.5 Ų | 118.5 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -120.9 | 11.5 | -174.4 | -71.7 | -64.4 | 0 | 0 | 0 | 114.9 | | |
| 86 | T | 34 | Very low | 37.4 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -121.2 | -2.1 | 176.4 | 46.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 87 | A | 35.5 | Very low | 37.2 | Very low | 60 Ų | 60 | 119.3 Ų | 119.3 | 50% | 0.496 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -90.3 | 0.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R91 | A87-R91 PolarHBondContact O-NH1 2.92Å; A87-R91 VanDerWaalsContact O-NH1 3.07Å |
| 88 | E | 36.6 | Very low | 36.9 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -112.3 | -18.5 | -171.1 | -158.5 | 165.3 | -141.5 | 0 | 0 | 114.1 | | |
| 89 | V | 36.7 | Very low | 37 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 70% | 0.703 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -82.2 | -20.8 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 90 | V | 36.9 | Very low | 37.1 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -6 | -176.3 | -175.8 | 0 | 0 | 0 | 0 | 113 | | |
| 91 | R | 34.1 | Very low | 37.1 | Very low | 200 Ų | 200 | 116.7 Ų | 116.7 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 4.3 | -179.1 | -163.3 | 170.4 | -79.6 | 99.6 | -1.9 | 113.9 | A87 | A87-R91 PolarHBondContact O-NH1 2.92Å; A87-R91 VanDerWaalsContact O-NH1 3.07Å |
| 92 | A | 36.7 | Very low | 37.2 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -110.4 | 7.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 93 | Q | 38.4 | Very low | 37.3 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -118.2 | 16.8 | -179.3 | -68.9 | -169.9 | -32.4 | 0 | 0 | 113.8 | | |
| 94 | A | 35.9 | Very low | 37.2 | Very low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | trans | -107.7 | 43.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 95 | S | 36.1 | Very low | 37.6 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | trans | -155.2 | 136.1 | 177 | 50.5 | 0 | 0 | 0 | 0 | 114 | | |
| 96 | L | 40.1 | Very low | 37.6 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | | | trans | 76 | 149.6 | 167.4 | -62.1 | 161.1 | 0 | 0 | 0 | 117 | | |
| 97 | P | 40.5 | Very low | 37.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -129.9 | 170 | -135.1 | 40.6 | -24.6 | 0 | 0 | 0 | 117.6 | | |
| 98 | T | 31.7 | Very low | 38.1 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | | | trans | -23.6 | 124 | 168.3 | -46.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 99 | A | 40.4 | Very low | 38.1 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -155.1 | 115 | 154.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 100 | A | 39.1 | Very low | 38.6 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | | | trans | 44.4 | 141.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 101 | S | 39.5 | Very low | 38.9 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | 49.4 | 124.7 | 158.9 | -60.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 102 | E | 39.1 | Very low | 39.4 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | cis | 76.2 | 87.1 | 44.1 | -166.9 | 177 | -145.6 | 0 | 0 | 114 | | |
| 103 | E | 37.8 | Very low | 39.6 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | | -176.3 | 158.7 | 123.7 | -101.4 | -150.4 | 100.1 | 0 | 0 | 110.9 | | |
| 104 | A | 36.4 | Very low | 40 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | -158.2 | 121.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 105 | P | 46.1 | Very low | 40.3 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -123.4 | 98.8 | 168 | 32 | -16.2 | 0 | 0 | 0 | 114.6 | | |
| 106 | R | 37.3 | Very low | 40.6 | Very low | 227 Ų | 227 | 151.7 Ų | 151.7 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | 7.1 | 143.9 | 133.1 | -75.2 | -177.6 | 171.6 | -168.1 | -2.2 | 121.1 | | |
| 107 | L | 39.6 | Very low | 40.8 | Very low | 137 Ų | 137 | 155.7 Ų | 155.7 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | | | trans | 75.5 | 155.4 | 152.3 | -60 | 155.8 | 0 | 0 | 0 | 115.8 | | |
| 108 | R | 41 | Very low | 40.8 | Very low | 220 Ų | 220 | 153.6 Ų | 153.6 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | cis | -150.7 | 167.1 | 6.1 | -138.2 | 160.7 | -159 | 164.5 | 3.7 | 111 | | |
| 109 | V | 37.4 | Very low | 41.6 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -115.7 | 122.8 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 110 | A | 45.7 | Very low | 41.9 | Very low | 96 Ų | 96 | 153.2 Ų | 153.2 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | trans | -174.4 | 151.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 111 | D | 44.4 | Very low | 42.6 | Very low | 158 Ų | 158 | 157 Ų | 157 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | cis | -147 | 179.9 | -6.6 | -161.8 | 0.3 | 0 | 0 | 0 | 109.4 | | |
| 112 | V | 45.1 | Very low | 43.2 | Very low | 114 Ų | 114 | 157.5 Ų | 157.5 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | -120.7 | 120 | -170.8 | 173.1 | 0 | 0 | 0 | 0 | 112 | | |
| 113 | R | 40.2 | Very low | 43.5 | Very low | 233 Ų | 233 | 160.8 Ų | 160.8 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | 169.6 | 170.4 | 143 | -93.5 | 146.3 | -163.4 | -163.5 | 0.7 | 114.4 | | |
| 114 | Q | 47.8 | Very low | 43.7 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | 70 | 108.6 | 171.6 | -45.9 | -166.9 | 21.9 | 0 | 0 | 114.9 | | |
| 115 | Q | 41 | Very low | 44.1 | Very low | 159 Ų | 159 | 163 Ų | 163 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | cis | 88.7 | 109.6 | 18.1 | -161.7 | -177.3 | 29.2 | 0 | 0 | 117.4 | | |
| 116 | R | 42.4 | Very low | 44.1 | Very low | 206 Ų | 206 | 162.4 Ų | 162.4 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | 79.9 | 150.5 | 160.8 | -71.6 | 158.4 | -174 | -92.4 | 6 | 119.6 | | |
| 117 | R | 43.6 | Very low | 44.7 | Very low | 255 Ų | 255 | 163.5 Ų | 163.5 | 96% | 0.962 | 81% | 0.808 | S | S | * | * | | | trans | 74.3 | 135.5 | 174.1 | -44.8 | 179.4 | -167.5 | -139.8 | 2.5 | 113.7 | | |
| 118 | G | 41.1 | Very low | 45.2 | Very low | 70 Ų | 70 | 162.6 Ų | 162.6 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | cis | -164.2 | 140.2 | -11.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 119 | A | 47.9 | Very low | 45.2 | Very low | 97 Ų | 97 | 157.1 Ų | 157.1 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | | 88.1 | 140.3 | 77.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 120 | D | 47.8 | Very low | 45.4 | Very low | 133 Ų | 133 | 153 Ų | 153 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | 68.6 | 144.3 | 173.2 | -79.8 | -34.5 | 0 | 0 | 0 | 119.2 | | |
| 121 | K | 53.8 | Low | 45.4 | Very low | 173 Ų | 173 | 156.9 Ų | 156.9 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | cis | -163.3 | 151 | -15.9 | -143.2 | 175 | -152.6 | 96.2 | 0 | 111.2 | | |
| 122 | P | 51.8 | Low | 45.4 | Very low | 118 Ų | 118 | 155.5 Ų | 155.5 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | -110 | 155.7 | -179.9 | 38.9 | -33.7 | 0 | 0 | 0 | 116.1 | | |
| 123 | R | 44.7 | Very low | 45.4 | Very low | 249 Ų | 249 | 154.6 Ų | 154.6 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | | | trans | -173.9 | 167.9 | 162 | -104.1 | 178.8 | 178.7 | -159.8 | 0.4 | 111 | | |
| 124 | A | 43 | Very low | 45.8 | Very low | 78 Ų | 78 | 149.6 Ų | 149.6 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | | | cis | -176.6 | 147.3 | -49.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 125 | R | 45.7 | Very low | 45.6 | Very low | 244 Ų | 244 | 146.6 Ų | 146.6 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | 70.2 | 159.7 | 170.1 | -46.5 | 179.7 | 172.4 | -167.5 | -4.3 | 115.1 | | |
| 126 | S | 45.8 | Very low | 45.7 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | cis | -149.2 | 134.8 | 10 | -38.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 127 | R | 48.9 | Very low | 45.8 | Very low | 250 Ų | 250 | 141.6 Ų | 141.6 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | | | trans | 55.5 | 161.2 | 131.1 | -78.8 | -163.5 | 159.2 | 173.1 | -6 | 123.8 | | |
| 128 | P | 49.8 | Very low | 45.6 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | trans | -137.9 | -163.8 | -150.2 | 46.4 | -28 | 0 | 0 | 0 | 116.6 | | |
| 129 | A | 40.8 | Very low | 45.6 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | 100.5 | 153.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 130 | G | 42.3 | Very low | 45.4 | Very low | 63 Ų | 63 | 142 Ų | 142 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | trans | 118 | 101.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 131 | E | 45.9 | Very low | 45.4 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | | 71.4 | 139.7 | 70.2 | -65.5 | -162.8 | 118.2 | 0 | 0 | 114.1 | | |
| 132 | N | 44.9 | Very low | 45.1 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | cis | -163.9 | 150.8 | -11.5 | -99.2 | -24.2 | 0 | 0 | 0 | 110.5 | | |
| 133 | A | 45.3 | Very low | 44.7 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 59.3 | 165.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 134 | T | 48.5 | Very low | 44.7 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | cis | -151.8 | 145.3 | 18.9 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 135 | P | 42.6 | Very low | 44.6 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -98.1 | 148.5 | 176.5 | 36.4 | -33.1 | 0 | 0 | 0 | 114.6 | | |
| 136 | G | 42.4 | Very low | 44.5 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | -163.5 | 94.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 137 | K | 45.2 | Very low | 44.2 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | 54.5 | 117.6 | 138.3 | -63.1 | 174.3 | -177.9 | 169.9 | 0 | 123.1 | | |
| 138 | R | 39.7 | Very low | 43.8 | Very low | 230 Ų | 230 | 128.9 Ų | 128.9 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | 70.1 | 157.1 | 133.6 | -58.3 | 175.8 | 179.3 | -179.7 | -2.9 | 117.2 | | |
| 139 | S | 40.9 | Very low | 43.5 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | cis | -150.3 | 166 | 7.3 | -163.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 140 | S | 44.5 | Very low | 43.3 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | trans | 25.2 | 142.6 | 146.7 | 53.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 141 | S | 48 | Very low | 43.1 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | cis | -158.6 | 169.7 | -3.6 | 51.1 | 0 | 0 | 0 | 0 | 107 | | |
| 142 | D | 46.3 | Very low | 42.5 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | | -179 | 178.6 | 54.7 | -127 | -58.4 | 0 | 0 | 0 | 111.7 | | |
| 143 | R | 43.6 | Very low | 42.1 | Very low | 215 Ų | 215 | 138 Ų | 138 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | 65.6 | 87.9 | 165.2 | -66.4 | 173.6 | -174.8 | 173.1 | 2.5 | 120.2 | | |
| 144 | Q | 45.6 | Very low | 41.5 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | | 45.7 | 112.9 | 117.9 | -61.3 | 167.7 | -13.8 | 0 | 0 | 120.3 | | |
| 145 | S | 40.2 | Very low | 41.4 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | | 178.5 | 140.8 | 98.4 | -164 | 0 | 0 | 0 | 0 | 115.1 | | |
| 146 | A | 43.3 | Very low | 41.1 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | 42 | 81.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 147 | T | 39 | Very low | 41.1 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | | 25.7 | 107.8 | 123.4 | -45.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 148 | A | 41.6 | Very low | 40.8 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | | | | 26.8 | 148.6 | 128 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 149 | P | 43.4 | Very low | 40.8 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -93.2 | -171.7 | -175.5 | 40.9 | -39.8 | 0 | 0 | 0 | 115.3 | | |
| 150 | N | 36.8 | Very low | 40.7 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | 97.5 | 97.9 | 168.5 | -57.7 | -28.8 | 0 | 0 | 0 | 117.5 | | |
| 151 | T | 37 | Very low | 40.4 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | -151.6 | 118.8 | 134.9 | -31.1 | 0 | 0 | 0 | 0 | 111.4 | R153 | T151-R153 HydrophobicContact CG2-CG 4.1Å; T151-R153 PolarHBondContact O-N 3.13Å |
| 152 | L | 34.4 | Very low | 40 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | | | trans | -68.6 | 117.9 | 158.5 | -85.4 | 162.2 | 0 | 0 | 0 | 108.2 | | |
| 153 | R | 35.8 | Very low | 39.8 | Very low | 221 Ų | 221 | 142.5 Ų | 142.5 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | | | trans | -130.6 | 116 | 166.1 | -85.9 | -172.6 | 165 | 169.7 | -3.4 | 110.7 | T151 | T151-R153 HydrophobicContact CG2-CG 4.1Å; T151-R153 PolarHBondContact O-N 3.13Å |
| 154 | S | 32.8 | Very low | 39.7 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | -64.7 | 136.9 | 165.8 | 42.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 155 | I | 46.5 | Very low | 39.7 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | -124.3 | 93.1 | 165.8 | -58.7 | -178.3 | 0 | 0 | 0 | 106.5 | | |
| 156 | S | 35.6 | Very low | 40.1 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | | | trans | -72.9 | 140.7 | 178.9 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | T158 | S156-T158 PolarHBondContact O-N 3.38Å; S156-T158 VanDerWaalsContact O-N 3.12Å |
| 157 | P | 43.7 | Very low | 39.7 | Very low | 130 Ų | 130 | 136 Ų | 136 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -89.6 | 76.9 | -165.2 | 35.6 | -37.8 | 0 | 0 | 0 | 114.4 | | |
| 158 | T | 38 | Very low | 40.1 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | | | trans | -148.6 | 116.1 | 162.9 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | S156 | S156-T158 PolarHBondContact O-N 3.38Å; S156-T158 VanDerWaalsContact O-N 3.12Å |
| 159 | G | 39.5 | Very low | 40.1 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | trans | -178.1 | 82 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 160 | S | 38.4 | Very low | 40.2 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 12.8 | 120.2 | 152.8 | 57.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 161 | A | 38.2 | Very low | 40.9 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | | -167.4 | 132.1 | 118.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R163 | A161-R163 PolarHBondContact O-N 3.17Š|
| 162 | L | 40.3 | Very low | 41.4 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | | | trans | -82.6 | 111.6 | 171.4 | -72.4 | 169.8 | 0 | 0 | 0 | 109.9 | | |
| 163 | R | 42.3 | Very low | 42.6 | Very low | 244 Ų | 244 | 130 Ų | 130 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | | | trans | -141.5 | 124.2 | 161.7 | -147.8 | 176.7 | -166.4 | -138.5 | 2.2 | 109.2 | A161 N165 | A161-R163 PolarHBondContact O-N 3.17Å; R163-N165 PolarHBondContact O-N 3.39Å |
| 164 | A | 42.3 | Very low | 43.2 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -66.5 | 128.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P166 | A164-P166 WeakPolarHBondContact O-CD 3.38Š|
| 165 | N | 43.8 | Very low | 44 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | -99.4 | 106.1 | 171.3 | -173 | 32.3 | 0 | 0 | 0 | 108.9 | R163 | R163-N165 PolarHBondContact O-N 3.39Š|
| 166 | P | 50 | Low | 43.9 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | | | trans | -66.9 | 145.1 | 173.1 | 29.7 | -33.7 | 0 | 0 | 0 | 110.1 | A164 S168 | A164-P166 WeakPolarHBondContact O-CD 3.38Å; P166-S168 PolarHBondContact O-N 3.04Å; P166-S168 VanDerWaalsContact O-N 3.17Å |
| 167 | C | 34.2 | Very low | 44.7 | Very low | 129 Ų | 129 | 129 Ų | 129 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | trans | -59.3 | 117.9 | -172.3 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | E169 | C167-E169 PolarHBondContact O-N 3.46Š|
| 168 | S | 47.6 | Very low | 45 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | trans | -76.1 | 90.3 | 169.7 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | P166 G170 | P166-S168 PolarHBondContact O-N 3.04Å; P166-S168 VanDerWaalsContact O-N 3.17Å; S168-G170 PolarHBondContact O-N 3.47Å |
| 169 | E | 41.5 | Very low | 45.7 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | trans | -64.3 | 99.7 | 176.6 | -172.4 | -174.6 | 177.1 | 0 | 0 | 110.9 | C167 R176 | C167-E169 PolarHBondContact O-N 3.46Å; E169-R176 VanDerWaalsContact CD-NH2 3.34Å; E169-R176 IonicContact OE1-CZ 2.69Å; E169-R176 VanDerWaalsContact OE1-CZ 3.31Å; E169-R176 IonicContact OE1-NE 3.41Å; E169-R176 PolarHBondContact OE1-NE 3.41Å; E169-R176 VanDerWaalsContact OE1-NE 3.15Å; E169-R176 IonicContact OE1-NH2 2.75Å; E169-R176 PolarHBondContact OE1-NH2 3.39Å; E169-R176 IonicContact OE2-NH2 3.81Å |
| 170 | G | 45.5 | Very low | 46 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | trans | -168.8 | 9 | -174 | 0 | 0 | 0 | 0 | 0 | 119.9 | S168 | S168-G170 PolarHBondContact O-N 3.47Š|
| 171 | T | 52 | Low | 46.5 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -139.1 | 6.7 | -168.6 | 10.8 | 0 | 0 | 0 | 0 | 118 | | |
| 172 | D | 47.1 | Very low | 46.9 | Very low | 96 Ų | 96 | 124 Ų | 124 | 51% | 0.513 | 71% | 0.705 | S | S | . | * | | | trans | -115.9 | 106.2 | 173.3 | -162.8 | -29.4 | 0 | 0 | 0 | 112.6 | F174 | D172-F174 PolarHBondContact O-N 3.35Å; D172-F174 WeakPolarHBondContact OD1-CB 3.21Å; D172-F174 PolarHBondContact OD1-N 3.06Å |
| 173 | P | 59.1 | Low | 47.3 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -17.5 | 176.1 | -22.8 | 34.7 | 0 | 0 | 0 | 115.3 | | |
| 174 | F | 49.1 | Very low | 47 | Very low | 172 Ų | 172 | 118.2 Ų | 118.2 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -17.1 | -172.8 | -66.4 | -86 | 0 | 0 | 0 | 113.5 | D172 | D172-F174 PolarHBondContact O-N 3.35Å; D172-F174 WeakPolarHBondContact OD1-CB 3.21Å; D172-F174 PolarHBondContact OD1-N 3.06Å |
| 175 | C | 49.7 | Very low | 46.6 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -5 | -173.9 | -65.9 | 0 | 0 | 0 | 0 | 116 | | |
| 176 | R | 43.8 | Very low | 46.6 | Very low | 194 Ų | 194 | 121.6 Ų | 121.6 | 73% | 0.732 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 16.3 | -177.6 | -77.3 | -169.8 | 171.6 | -144.7 | 2.3 | 115.4 | E169 P178 | E169-R176 VanDerWaalsContact CD-NH2 3.34Å; E169-R176 IonicContact OE1-CZ 2.69Å; E169-R176 VanDerWaalsContact OE1-CZ 3.31Å; E169-R176 IonicContact OE1-NE 3.41Å; E169-R176 PolarHBondContact OE1-NE 3.41Å; E169-R176 VanDerWaalsContact OE1-NE 3.15Å; E169-R176 IonicContact OE1-NH2 2.75Å; E169-R176 PolarHBondContact OE1-NH2 3.39Å; E169-R176 IonicContact OE2-NH2 3.81Å; R176-P178 VanDerWaalsContact O-CD 3.26Å; R176-P178 WeakPolarHBondContact O-CD 3.27Å |
| 177 | L | 52.9 | Low | 46.4 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 56% | 0.56 | 68% | 0.678 | S | S | * | * | | | trans | -78.9 | 112.2 | 172 | -95.8 | 154.8 | 0 | 0 | 0 | 111 | L179 | L177-L179 PolarHBondContact O-N 3.32Š|
| 178 | P | 50.2 | Low | 47 | Very low | 83 Ų | 83 | 119.7 Ų | 119.7 | 54% | 0.539 | 66% | 0.662 | S | S | . | * | | | trans | -68.2 | 125.9 | 174.4 | 28.4 | -33.5 | 0 | 0 | 0 | 109.6 | R176 S180 A181 | R176-P178 VanDerWaalsContact O-CD 3.26Å; R176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-S180 PolarHBondContact O-N 3.3Å; P178-A181 HydrophobicContact CG-CB 4.36Å; P178-A181 WeakPolarHBondContact O-CB 3.42Å; P178-A181 PolarHBondContact O-N 3.06Å |
| 179 | L | 51.6 | Low | 47 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 73% | 0.728 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -53.9 | -29.1 | -176.2 | -73.7 | 164.4 | 0 | 0 | 0 | 113.4 | L177 A181 L182 | L177-L179 PolarHBondContact O-N 3.32Å; L179-A181 PolarHBondContact O-N 3.02Å; L179-L182 PolarHBondContact O-N 2.93Å |
| 180 | S | 46.1 | Very low | 47.6 | Very low | 88 Ų | 88 | 118.5 Ų | 118.5 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -57 | -27.7 | 175.3 | -42.4 | 0 | 0 | 0 | 0 | 114.2 | P178 L182 | P178-S180 PolarHBondContact O-N 3.3Å; S180-L182 PolarHBondContact O-N 3.4Å |
| 181 | A | 49.1 | Very low | 48.1 | Very low | 64 Ų | 64 | 120.3 Ų | 120.3 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -76.6 | -5.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | P178 L179 | P178-A181 HydrophobicContact CG-CB 4.36Å; P178-A181 WeakPolarHBondContact O-CB 3.42Å; P178-A181 PolarHBondContact O-N 3.06Å; L179-A181 PolarHBondContact O-N 3.02Å |
| 182 | L | 47.8 | Very low | 48.9 | Very low | 88 Ų | 88 | 116.2 Ų | 116.2 | 46% | 0.461 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -103.6 | 1.4 | 177.9 | -64.7 | -174 | 0 | 0 | 0 | 114.2 | R69 L179 S180 | R69-L182 VanDerWaalsContact NH2-CD2 3.35Å; L179-L182 PolarHBondContact O-N 2.93Å; S180-L182 PolarHBondContact O-N 3.4Å |
| 183 | F | 48.1 | Very low | 49.4 | Very low | 173 Ų | 173 | 115.1 Ų | 115.1 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -124.9 | 1 | -173.8 | -76.8 | -81.5 | 0 | 0 | 0 | 115.1 | | |
| 184 | N | 36.5 | Very low | 49.1 | Very low | 135 Ų | 135 | 115.6 Ų | 115.6 | 72% | 0.722 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -121.7 | 104.8 | -179.6 | -77.6 | -29 | 0 | 0 | 0 | 112 | | |
| 185 | W | 34 | Very low | 49.7 | Very low | 199 Ų | 199 | 111.9 Ų | 111.9 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | | | trans | 65.5 | 150.6 | 177 | -125.1 | -125.5 | 0 | 0 | 0 | 114.1 | E187 | W185-E187 VanDerWaalsContact CD2-N 3.3Å; W185-E187 VanDerWaalsContact CE2-N 3.27Å; W185-E187 HydrophobicContact CZ2-CB 4.23Å; W185-E187 HydrophobicContact CZ2-CG 4.35Å |
| 186 | P | 43.7 | Very low | 50.4 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 73% | 0.734 | 60% | 0.602 | S | S | * | * | | | cis | -103.4 | 134.8 | 27.5 | 37 | -33 | 0 | 0 | 0 | 116.4 | A188 | P186-A188 PolarHBondContact O-N 3.14Š|
| 187 | E | 45.1 | Very low | 51.1 | Low | 132 Ų | 132 | 110.9 Ų | 110.9 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | | | | 45.7 | 46.8 | 128.3 | -150.2 | 143.9 | -121.6 | 0 | 0 | 118.2 | W185 V189 | W185-E187 VanDerWaalsContact CD2-N 3.3Å; W185-E187 VanDerWaalsContact CE2-N 3.27Å; W185-E187 HydrophobicContact CZ2-CB 4.23Å; W185-E187 HydrophobicContact CZ2-CG 4.35Å; E187-V189 HydrophobicContact CG-CG2 4.27Å; E187-V189 PolarHBondContact O-N 3.3Å |
| 188 | A | 46 | Very low | 51.4 | Low | 64 Ų | 64 | 113 Ų | 113 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -72.6 | 25.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P186 H190 L191 | P186-A188 PolarHBondContact O-N 3.14Å; A188-H190 PolarHBondContact O-N 2.9Å; A188-H190 VanDerWaalsContact O-N 3.14Å; A188-L191 HydrophobicContact CB-CB 4.22Å; A188-L191 PolarHBondContact O-N 3.29Å |
| 189 | V | 48.3 | Very low | 51.5 | Low | 98 Ų | 98 | 112.4 Ų | 112.4 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -56.1 | -34.3 | -172.3 | -178.7 | 0 | 0 | 0 | 0 | 112.4 | E187 | E187-V189 HydrophobicContact CG-CG2 4.27Å; E187-V189 PolarHBondContact O-N 3.3Å |
| 190 | H | 53.8 | Low | 51.4 | Low | 132 Ų | 132 | 113.6 Ų | 113.6 | 61% | 0.611 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -100.7 | -0.2 | -179.3 | -56.5 | -53.4 | 0 | 0 | 0 | 114.7 | A188 D193 L194 | A188-H190 PolarHBondContact O-N 2.9Å; A188-H190 VanDerWaalsContact O-N 3.14Å; H190-D193 IonicContact ND1-OD2 3.31Å; H190-D193 PolarHBondContact O-N 2.95Å; H190-L194 PolarHBondContact O-N 2.83Å; H190-L194 VanDerWaalsContact O-N 3.13Å |
| 191 | L | 56.1 | Low | 51.3 | Low | 108 Ų | 108 | 111.4 Ų | 111.4 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.4 | -32.1 | 178.3 | -129.7 | 75.4 | 0 | 0 | 0 | 111.8 | A188 D193 L195 | A188-L191 HydrophobicContact CB-CB 4.22Å; A188-L191 PolarHBondContact O-N 3.29Å; L191-D193 VanDerWaalsContact C-N 3.34Å; L191-L195 PolarHBondContact O-N 3.04Å |
| 192 | G | 68.8 | Low | 50.9 | Low | 47 Ų | 47 | 110.6 Ų | 110.6 | 49% | 0.485 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.8 | -41.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | L195 R196 | G192-L195 PolarHBondContact O-N 3.28Å; G192-R196 VanDerWaalsContact O-CB 3.24Å; G192-R196 WeakPolarHBondContact O-CB 3.46Å; G192-R196 PolarHBondContact O-N 3.19Å |
| 193 | D | 57.4 | Low | 50.6 | Low | 74 Ų | 74 | 110.9 Ų | 110.9 | 40% | 0.396 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.9 | -43.6 | 177.5 | -66.3 | -43 | 0 | 0 | 0 | 112.1 | H190 L191 L195 R196 I197 | H190-D193 IonicContact ND1-OD2 3.31Å; H190-D193 PolarHBondContact O-N 2.95Å; L191-D193 VanDerWaalsContact C-N 3.34Å; D193-L195 VanDerWaalsContact C-N 3.33Å; D193-L195 PolarHBondContact O-N 3.08Å; D193-R196 PolarHBondContact O-N 3.1Å; D193-R196 VanDerWaalsContact O-N 3.16Å; D193-I197 WeakPolarHBondContact O-CB 3.45Å; D193-I197 WeakPolarHBondContact O-CD1 3.32Å; D193-I197 WeakPolarHBondContact O-CG1 3.2Å; D193-I197 PolarHBondContact O-N 2.96Å |
| 194 | L | 53.6 | Low | 50.2 | Low | 116 Ų | 116 | 108.8 Ų | 108.8 | 61% | 0.607 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -57.5 | -44.4 | 175.5 | -109.2 | 69.8 | 0 | 0 | 0 | 112.3 | H190 W198 | H190-L194 PolarHBondContact O-N 2.83Å; H190-L194 VanDerWaalsContact O-N 3.13Å; L194-W198 WeakPolarHBondContact O-CB 3.32Å; L194-W198 PolarHBondContact O-N 3.35Å |
| 195 | L | 61.5 | Low | 50.2 | Low | 95 Ų | 95 | 109.3 Ų | 109.3 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.1 | -38 | 176.2 | -74.6 | 168 | 0 | 0 | 0 | 112.1 | L191 G192 D193 W198 V199 | L191-L195 PolarHBondContact O-N 3.04Å; G192-L195 PolarHBondContact O-N 3.28Å; D193-L195 VanDerWaalsContact C-N 3.33Å; D193-L195 PolarHBondContact O-N 3.08Å; L195-W198 PolarHBondContact O-N 3.42Å; L195-V199 WeakPolarHBondContact O-CB 3.41Å; L195-V199 WeakPolarHBondContact O-CG2 3.21Å; L195-V199 PolarHBondContact O-N 3.48Å |
| 196 | R | 65.1 | Low | 50.2 | Low | 161 Ų | 161 | 109.5 Ų | 109.5 | 61% | 0.608 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.5 | -34.9 | 178 | -163.3 | 178.3 | -166.6 | -168 | 5.3 | 112.5 | G192 D193 R200 | G192-R196 VanDerWaalsContact O-CB 3.24Å; G192-R196 WeakPolarHBondContact O-CB 3.46Å; G192-R196 PolarHBondContact O-N 3.19Å; D193-R196 PolarHBondContact O-N 3.1Å; D193-R196 VanDerWaalsContact O-N 3.16Å; R196-R200 WeakPolarHBondContact O-CB 3.24Å; R196-R200 WeakPolarHBondContact O-CG 3.44Å; R196-R200 PolarHBondContact O-N 3.18Å; R196-R200 VanDerWaalsContact O-N 3.13Å |
| 197 | I | 57.6 | Low | 49.5 | Very low | 112 Ų | 112 | 107.2 Ų | 107.2 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.3 | -45.4 | 171.3 | -69.8 | 163.6 | 0 | 0 | 0 | 109.7 | D193 R200 A201 | D193-I197 WeakPolarHBondContact O-CB 3.45Å; D193-I197 WeakPolarHBondContact O-CD1 3.32Å; D193-I197 WeakPolarHBondContact O-CG1 3.2Å; D193-I197 PolarHBondContact O-N 2.96Å; I197-R200 PolarHBondContact O-N 2.77Å; I197-A201 WeakPolarHBondContact O-CB 3.37Å; I197-A201 PolarHBondContact O-N 3.41Å |
| 198 | W | 58.9 | Low | 49 | Very low | 152 Ų | 152 | 109.1 Ų | 109.1 | 58% | 0.576 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.9 | -45.4 | 178.7 | -168.6 | 59.3 | 0 | 0 | 0 | 112.2 | L194 L195 R200 A201 S202 | L194-W198 WeakPolarHBondContact O-CB 3.32Å; L194-W198 PolarHBondContact O-N 3.35Å; L195-W198 PolarHBondContact O-N 3.42Å; W198-R200 VanDerWaalsContact C-N 3.32Å; W198-R200 PolarHBondContact O-N 3.28Å; W198-A201 PolarHBondContact O-N 3.47Å; W198-S202 WeakPolarHBondContact O-CB 3.47Å; W198-S202 PolarHBondContact O-N 3.43Å; W198-S202 PolarHBondContact O-OG 2.96Å |
| 199 | V | 53 | Low | 48.2 | Very low | 70 Ų | 70 | 109.1 Ų | 109.1 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.3 | -39.7 | 174.9 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | L195 T203 | L195-V199 WeakPolarHBondContact O-CB 3.41Å; L195-V199 WeakPolarHBondContact O-CG2 3.21Å; L195-V199 PolarHBondContact O-N 3.48Å; V199-T203 PolarHBondContact O-N 3.25Å; V199-T203 PolarHBondContact O-OG1 3.46Å |
| 200 | R | 48.3 | Very low | 47.3 | Very low | 165 Ų | 165 | 114.1 Ų | 114.1 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.5 | -35.3 | 174.5 | -80.8 | 179 | 161.3 | 179.3 | -7.4 | 113.6 | R196 I197 W198 T203 N204 | R196-R200 WeakPolarHBondContact O-CB 3.24Å; R196-R200 WeakPolarHBondContact O-CG 3.44Å; R196-R200 PolarHBondContact O-N 3.18Å; R196-R200 VanDerWaalsContact O-N 3.13Å; I197-R200 PolarHBondContact O-N 2.77Å; W198-R200 VanDerWaalsContact C-N 3.32Å; W198-R200 PolarHBondContact O-N 3.28Å; R200-T203 WeakPolarHBondContact CA-OG1 3.45Å; R200-T203 PolarHBondContact O-N 2.87Å; R200-T203 PolarHBondContact O-OG1 2.63Å; R200-N204 PolarHBondContact O-N 3.28Å; R200-N204 VanDerWaalsContact O-N 3.13Å |
| 201 | A | 45.4 | Very low | 46.4 | Very low | 41 Ų | 41 | 113.8 Ų | 113.8 | 34% | 0.339 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.1 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I197 W198 T203 N204 L205 | I197-A201 WeakPolarHBondContact O-CB 3.37Å; I197-A201 PolarHBondContact O-N 3.41Å; W198-A201 PolarHBondContact O-N 3.47Å; A201-T203 PolarHBondContact O-N 3.05Å; A201-N204 PolarHBondContact O-N 3.25Å; A201-N204 VanDerWaalsContact O-N 3.08Å; A201-L205 PolarHBondContact O-N 3.2Å |
| 202 | S | 40.9 | Very low | 45.6 | Very low | 47 Ų | 47 | 120.1 Ų | 120.1 | 33% | 0.329 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.9 | -20.4 | 172.7 | -69.3 | 0 | 0 | 0 | 0 | 113.8 | W198 Y206 | W198-S202 WeakPolarHBondContact O-CB 3.47Å; W198-S202 PolarHBondContact O-N 3.43Å; W198-S202 PolarHBondContact O-OG 2.96Å; S202-Y206 WeakPolarHBondContact O-CD2 3.01Å; S202-Y206 WeakPolarHBondContact O-CE2 3.42Å |
| 203 | T | 41.5 | Very low | 43.7 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 58% | 0.577 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -85 | -29.6 | 167.7 | 48 | 0 | 0 | 0 | 0 | 113.8 | V199 R200 A201 | V199-T203 PolarHBondContact O-N 3.25Å; V199-T203 PolarHBondContact O-OG1 3.46Å; R200-T203 WeakPolarHBondContact CA-OG1 3.45Å; R200-T203 PolarHBondContact O-N 2.87Å; R200-T203 PolarHBondContact O-OG1 2.63Å; A201-T203 PolarHBondContact O-N 3.05Å |
| 204 | N | 39.7 | Very low | 42.7 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 69% | 0.69 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -86.2 | -19.3 | -179.8 | -84.4 | -22.3 | 0 | 0 | 0 | 114.4 | R200 A201 Y206 G207 | R200-N204 PolarHBondContact O-N 3.28Å; R200-N204 VanDerWaalsContact O-N 3.13Å; A201-N204 PolarHBondContact O-N 3.25Å; A201-N204 VanDerWaalsContact O-N 3.08Å; N204-Y206 PolarHBondContact O-N 3.08Å; N204-G207 PolarHBondContact O-N 2.94Å |
| 205 | L | 34.8 | Very low | 41.8 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 1.1 | 173.1 | -76.8 | 166.2 | 0 | 0 | 0 | 114.2 | A201 | A201-L205 PolarHBondContact O-N 3.2Š|
| 206 | Y | 34.2 | Very low | 40.5 | Very low | 203 Ų | 203 | 131.1 Ų | 131.1 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 23.8 | 167.5 | -63.4 | -81.5 | 0 | 0 | 0 | 112.6 | S202 N204 | S202-Y206 WeakPolarHBondContact O-CD2 3.01Å; S202-Y206 WeakPolarHBondContact O-CE2 3.42Å; N204-Y206 PolarHBondContact O-N 3.08Å |
| 207 | G | 29.8 | Very low | 39.5 | Very low | 65 Ų | 65 | 129.8 Ų | 129.8 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | | | trans | -94.2 | -9.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | N204 | N204-G207 PolarHBondContact O-N 2.94Š|
| 208 | L | 33.7 | Very low | 38.6 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -113.2 | 110.7 | -176.3 | -80.1 | 134.1 | 0 | 0 | 0 | 111.3 | | |
| 209 | G | 30.6 | Very low | 37.5 | Very low | 64 Ų | 64 | 130.3 Ų | 130.3 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 121.3 | 30.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 210 | F | 29.1 | Very low | 36.7 | Very low | 202 Ų | 202 | 130.6 Ų | 130.6 | 89% | 0.886 | 73% | 0.73 | S | S | * | * | | | trans | -134.3 | 68.3 | 168.3 | -69.1 | -70.2 | 0 | 0 | 0 | 112.9 | | |
| 211 | S | 34.1 | Very low | 36.3 | Very low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 133.3 | 166.2 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 212 | R | 38.7 | Very low | 36 | Very low | 242 Ų | 242 | 131.4 Ų | 131.4 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -74 | 131.6 | -179.8 | -61.8 | -177 | -176.7 | -170.2 | 1.3 | 110.4 | | |
| 213 | T | 29.4 | Very low | 35.5 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 132.5 | 171.6 | 12 | 0 | 0 | 0 | 0 | 111.4 | | |
| 214 | V | 37.7 | Very low | 35.3 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | -133.6 | 143.2 | 156.9 | 174.5 | 0 | 0 | 0 | 0 | 106.1 | | |
| 215 | E | 34 | Very low | 35 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -70.7 | 144.5 | -177.8 | -58.3 | 166.8 | 100.3 | 0 | 0 | 110.3 | | |
| 216 | S | 34.8 | Very low | 34.8 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | | 167.2 | 161.5 | 74.6 | 48.9 | 0 | 0 | 0 | 0 | 111 | | |
| 217 | V | 43 | Very low | 34.5 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | 59.9 | 115.3 | 167.6 | -164.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 218 | P | 39.5 | Very low | 34.6 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | -100.6 | 155.2 | 165.8 | 38.4 | -32.2 | 0 | 0 | 0 | 113.2 | | |
| 219 | N | 36.1 | Very low | 34.5 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | 165.1 | 148.5 | 151 | -87.9 | -24.8 | 0 | 0 | 0 | 108.7 | | |
| 220 | A | 36.3 | Very low | 34.5 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 63% | 0.628 | 82% | 0.818 | S | S | * | * | | | cis | -165.8 | 165.6 | -19.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 221 | T | 38.6 | Very low | 34.9 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 95% | 0.945 | 82% | 0.817 | S | S | * | * | | | trans | 71 | 139.8 | 161.8 | -49.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 222 | G | 39.7 | Very low | 34.9 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | 123.1 | 62.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A224 | G222-A224 PolarHBondContact O-N 3.41Š|
| 223 | D | 29.5 | Very low | 34.5 | Very low | 177 Ų | 177 | 131 Ų | 131 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | | | trans | -86.3 | 100.6 | 172.9 | -171.1 | 15.4 | 0 | 0 | 0 | 111 | | |
| 224 | A | 37.3 | Very low | 34.7 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | -170.1 | 154.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G222 | G222-A224 PolarHBondContact O-N 3.41Š|
| 225 | A | 35 | Very low | 34.7 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | | | cis | -170.6 | 137.3 | -20.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 226 | F | 28.7 | Very low | 34.7 | Very low | 198 Ų | 198 | 128.1 Ų | 128.1 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | | | trans | 48.6 | 117.5 | 163.9 | -72 | -91.6 | 0 | 0 | 0 | 121.5 | | |
| 227 | C | 29 | Very low | 34.8 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | | 30 | 111.1 | 123.6 | -159 | 0 | 0 | 0 | 0 | 119 | | |
| 228 | G | 31.8 | Very low | 34.4 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | -156.7 | 139.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 229 | D | 31.7 | Very low | 34.3 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | trans | -79.8 | 154.4 | -168.6 | -67.9 | -75 | 0 | 0 | 0 | 115 | | |
| 230 | I | 30.8 | Very low | 34.5 | Very low | 166 Ų | 166 | 122.2 Ų | 122.2 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -90 | 111.4 | 169 | -58.6 | 171 | 0 | 0 | 0 | 108.8 | | |
| 231 | V | 36.6 | Very low | 34.6 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -176.3 | 166.9 | 148.9 | 132.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 232 | A | 33.9 | Very low | 34.3 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | 86.3 | 96.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 233 | I | 30.4 | Very low | 34.5 | Very low | 172 Ų | 172 | 125.7 Ų | 125.7 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -77.6 | 158.2 | 164.3 | -63 | 156.6 | 0 | 0 | 0 | 109.4 | | |
| 234 | S | 33.7 | Very low | 35.1 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | 100.4 | 126.4 | 164.4 | -158.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 235 | G | 39.1 | Very low | 34.9 | Very low | 80 Ų | 80 | 128.2 Ų | 128.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 156.6 | 57.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 236 | Q | 33.1 | Very low | 35.1 | Very low | 188 Ų | 188 | 130 Ų | 130 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -94.7 | 174.2 | 164.1 | -115.9 | -158.5 | -19.3 | 0 | 0 | 109.9 | | |
| 237 | P | 37.8 | Very low | 35.5 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | | | cis | -130.9 | -173.4 | -26.1 | 38.4 | -22.1 | 0 | 0 | 0 | 112 | | |
| 238 | G | 33.5 | Very low | 36.2 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | 170.3 | 139.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 239 | S | 37.9 | Very low | 37 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | 49.6 | 144.8 | 176.2 | -93.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 240 | S | 40.5 | Very low | 37.9 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 57% | 0.566 | 77% | 0.772 | S | S | * | * | | | cis | 163.6 | 159.2 | -34.2 | 54.3 | 0 | 0 | 0 | 0 | 106 | | |
| 241 | D | 38.3 | Very low | 38.4 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | 70.3 | 106.2 | 164.3 | -46.2 | -55.9 | 0 | 0 | 0 | 116.5 | | |
| 242 | C | 32.7 | Very low | 38.7 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | | 76.9 | 135.7 | 75.7 | -69.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 243 | V | 43.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | | | cis | -157.4 | 155.4 | -3.2 | 125.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 244 | P | 42.6 | Very low | 39.6 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -87.3 | 124.8 | -174 | 32.7 | -35 | 0 | 0 | 0 | 116 | | |
| 245 | Y | 31.9 | Very low | 40.1 | Very low | 192 Ų | 192 | 125 Ų | 125 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | | | trans | -173.8 | 148.5 | 172.6 | 168.2 | -84.7 | 0 | 0 | 0 | 107.3 | | |
| 246 | E | 39.3 | Very low | 40.3 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 58% | 0.579 | 75% | 0.751 | S | S | * | * | | | cis | -156 | 162.8 | -23.7 | 177.8 | 164.4 | -55.1 | 0 | 0 | 103.6 | | |
| 247 | E | 37.3 | Very low | 40.8 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 62% | 0.617 | 75% | 0.745 | S | S | * | * | | | | 157.6 | 145 | 82.8 | -166.9 | -168.6 | 168.3 | 0 | 0 | 109.7 | | |
| 248 | K | 44.7 | Very low | 40.8 | Very low | 202 Ų | 202 | 124.6 Ų | 124.6 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | | | trans | -159.3 | 103.6 | 131.8 | -155.6 | 161.2 | -170.5 | 170.9 | 0 | 113.2 | | |
| 249 | K | 48.1 | Very low | 41.1 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 58% | 0.578 | 75% | 0.753 | S | S | * | * | | | trans | -77.5 | 157.5 | 167.6 | -75.6 | 164.6 | -178.4 | 137 | 0 | 111.7 | | |
| 250 | T | 49.3 | Very low | 41.7 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | | | trans | -135 | 128.4 | 151.2 | -56.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 251 | L | 42.9 | Very low | 41.7 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | | | trans | -85.8 | 172.2 | -177.8 | -62.1 | 164.3 | 0 | 0 | 0 | 109.8 | | |
| 252 | S | 42.7 | Very low | 42.1 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | cis | -163 | 141.5 | 23.7 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 253 | G | 42.8 | Very low | 42.7 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 71 | 155.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 254 | T | 40 | Very low | 42.5 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | cis | -160.3 | 143.8 | -8 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 255 | A | 44 | Very low | 42.7 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | | | trans | 60.6 | 120.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 256 | D | 43.3 | Very low | 43.6 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | | | | 64 | 141.2 | 126.2 | -49.2 | -19.3 | 0 | 0 | 0 | 122.7 | | |
| 257 | G | 43 | Very low | 43.7 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | | | trans | 176.1 | -12.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 258 | C | 39 | Very low | 43.9 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | | | trans | 69.5 | 168.5 | 175.2 | -147.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 259 | S | 38.9 | Very low | 43.9 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -139.5 | -167.3 | -165.9 | -32.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 260 | P | 51.6 | Low | 43.8 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | cis | -131.4 | -150.7 | -30.5 | 37.7 | -17.7 | 0 | 0 | 0 | 111.8 | | |
| 261 | S | 39.8 | Very low | 43.8 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | 83.6 | 141.1 | 161 | 83.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 262 | S | 47.6 | Very low | 43.6 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | cis | -143.5 | 163.9 | 6.8 | -82.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 263 | E | 43.6 | Very low | 43.5 | Very low | 185 Ų | 185 | 127.3 Ų | 127.3 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -17.1 | 158.9 | 148.1 | -70.2 | -179.6 | 118.1 | 0 | 0 | 119.8 | | |
| 264 | A | 40.3 | Very low | 43.4 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | cis | -165 | 178 | -5.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 265 | L | 46.2 | Very low | 43.5 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -67.6 | -168.7 | 176.1 | -69.1 | 169.7 | 0 | 0 | 0 | 115 | | |
| 266 | P | 51.9 | Low | 43.5 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | cis | -137.6 | 171 | -42.9 | 30.8 | -12.1 | 0 | 0 | 0 | 115.2 | | |
| 267 | R | 40.7 | Very low | 43.7 | Very low | 247 Ų | 247 | 131.5 Ų | 131.5 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | | 166.1 | 162.2 | 120.1 | -91.1 | 169.2 | 177.2 | 172.4 | 0.6 | 114.7 | | |
| 268 | A | 41.5 | Very low | 43.9 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | trans | -106.4 | -177.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 269 | P | 45.8 | Very low | 43.9 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | cis | -145.1 | -175.7 | 43.4 | 41.2 | -18.6 | 0 | 0 | 0 | 118.6 | | |
| 270 | V | 45.4 | Very low | 44.1 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -75.5 | -179.4 | 175.9 | -106.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 271 | P | 48.3 | Very low | 43.8 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | | | cis | -139.6 | -169.9 | -9.3 | 31.3 | -7.7 | 0 | 0 | 0 | 116.8 | | |
| 272 | R | 39.6 | Very low | 44 | Very low | 241 Ų | 241 | 142.3 Ų | 142.3 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | 85.9 | 119.2 | 154.9 | -73.5 | -179.1 | 168.1 | 167.6 | -3.2 | 120.3 | | |
| 273 | A | 39.9 | Very low | 44 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | | 151.2 | 157.5 | 112 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 274 | S | 41.6 | Very low | 44 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | 65.6 | 103.7 | 157.2 | 60.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 275 | S | 41.3 | Very low | 44 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | | 53.3 | 118.2 | 123.9 | 66 | 0 | 0 | 0 | 0 | 123.2 | | |
| 276 | R | 43.6 | Very low | 44 | Very low | 249 Ų | 249 | 139.4 Ų | 139.4 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | | | trans | 169.6 | 150.8 | 134.8 | -96.2 | 171.6 | 174.7 | -179.9 | -1.6 | 107.8 | | |
| 277 | A | 47.8 | Very low | 43.7 | Very low | 76 Ų | 76 | 140.7 Ų | 140.7 | 63% | 0.628 | 80% | 0.799 | S | S | * | * | | | cis | -160.8 | -166 | -11.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 278 | N | 48.2 | Very low | 43.8 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | 87.8 | 128 | 162.1 | -53.6 | -9.1 | 0 | 0 | 0 | 117.9 | | |
| 279 | R | 38 | Very low | 43.8 | Very low | 248 Ų | 248 | 141.2 Ų | 141.2 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | | | trans | -141.5 | 172.1 | 175 | -128.3 | -172.9 | -171.4 | 127.4 | -2 | 105.6 | | |
| 280 | A | 44.6 | Very low | 43.6 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | 70.3 | 151.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 281 | D | 43.7 | Very low | 43 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | | | cis | -166.5 | 168.7 | -26.8 | -163.9 | 11.2 | 0 | 0 | 0 | 109.8 | | |
| 282 | S | 44.6 | Very low | 42.5 | Very low | 104 Ų | 104 | 156.5 Ų | 156.5 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | 66.9 | 144.7 | 154.9 | 70.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 283 | G | 46.7 | Very low | 42.4 | Very low | 67 Ų | 67 | 153 Ų | 153 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | trans | 65.1 | 130.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 284 | D | 43.8 | Very low | 42.2 | Very low | 162 Ų | 162 | 154 Ų | 154 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | cis | -166.2 | 158.6 | 27.7 | -97.5 | -19.2 | 0 | 0 | 0 | 112.8 | | |
| 285 | E | 42 | Very low | 42.1 | Very low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | 48.9 | 150.9 | 146.8 | -145.5 | 53 | -153.9 | 0 | 0 | 123.7 | | |
| 286 | A | 44.9 | Very low | 41.6 | Very low | 76 Ų | 76 | 157 Ų | 157 | 63% | 0.628 | 81% | 0.805 | S | S | * | * | | | trans | -91.1 | 171.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 287 | P | 46.7 | Very low | 41.2 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | | -146.9 | 156.1 | 100 | 37.4 | -22.7 | 0 | 0 | 0 | 116.4 | | |
| 288 | R | 41.2 | Very low | 40.2 | Very low | 244 Ų | 244 | 155.1 Ų | 155.1 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -102 | 149.2 | 156.6 | -68.2 | -169.8 | -176.3 | -147 | 5.2 | 109.9 | | |
| 289 | P | 41.7 | Very low | 39.5 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | | -149.4 | 146.1 | 126.4 | 30.7 | -11.5 | 0 | 0 | 0 | 118.4 | | |
| 290 | R | 41.3 | Very low | 39.1 | Very low | 248 Ų | 248 | 150.8 Ų | 150.8 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | | | trans | 81 | 159.9 | 141.8 | -69.2 | 165.2 | -174.2 | -179.4 | 1.4 | 121 | | |
| 291 | K | 34.1 | Very low | 38.6 | Very low | 200 Ų | 200 | 155.6 Ų | 155.6 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | | | trans | -120.1 | 153.5 | -170.1 | -50.7 | 170.3 | 179.5 | 176.9 | 0 | 110.7 | | |
| 292 | R | 36.4 | Very low | 38 | Very low | 239 Ų | 239 | 153.8 Ų | 153.8 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | -170.3 | 117.8 | 146.7 | -100 | 147.1 | -164.5 | -128.8 | 3.1 | 107.8 | | |
| 293 | Q | 38.9 | Very low | 37.5 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | | 80.9 | 119.1 | 84.9 | -79.7 | -75.2 | 21.9 | 0 | 0 | 113 | | |
| 294 | P | 35.5 | Very low | 36.8 | Very low | 112 Ų | 112 | 161.5 Ų | 161.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 131.7 | 173.1 | 33.6 | -31.3 | 0 | 0 | 0 | 111.3 | | |
| 295 | E | 39.4 | Very low | 36.4 | Very low | 147 Ų | 147 | 164.2 Ų | 164.2 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 123.6 | 176.3 | -77.9 | -162.4 | -176.5 | 0 | 0 | 112.9 | R297 | E295-R297 IonicContact OE1-NH2 3.15Å; E295-R297 IonicContact OE2-CZ 3.17Å; E295-R297 IonicContact OE2-NE 2.76Å; E295-R297 PolarHBondContact OE2-NE 3.34Å; E295-R297 IonicContact OE2-NH2 2.67Å; E295-R297 PolarHBondContact OE2-NH2 3.3Å |
| 296 | T | 30 | Very low | 36 | Very low | 130 Ų | 130 | 165.6 Ų | 165.6 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 122.7 | 162.1 | -61 | 0 | 0 | 0 | 0 | 109.2 | V298 | T296-V298 HydrophobicContact CG2-CG2 4.39Š|
| 297 | R | 35.2 | Very low | 35.5 | Very low | 173 Ų | 173 | 169.7 Ų | 169.7 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | | | trans | -124.1 | 113.3 | 167.7 | -66.7 | -167.5 | -177.2 | -151.5 | 0.6 | 111.2 | E295 Y299 | E295-R297 IonicContact OE1-NH2 3.15Å; E295-R297 IonicContact OE2-CZ 3.17Å; E295-R297 IonicContact OE2-NE 2.76Å; E295-R297 PolarHBondContact OE2-NE 3.34Å; E295-R297 IonicContact OE2-NH2 2.67Å; E295-R297 PolarHBondContact OE2-NH2 3.3Å; R297-Y299 HydrophobicContact CB-CE2 4.4Å |
| 298 | V | 28.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 171.1 Ų | 171.1 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | | | trans | -89 | 128.6 | 172.7 | 175.3 | 0 | 0 | 0 | 0 | 108.4 | T296 I300 | T296-V298 HydrophobicContact CG2-CG2 4.39Å; V298-I300 HydrophobicContact CG1-CG1 4.08Å |
| 299 | Y | 33.4 | Very low | 34.6 | Very low | 190 Ų | 190 | 167 Ų | 167 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | | | trans | -122.9 | 115.8 | 163.8 | -82.2 | -82 | 0 | 0 | 0 | 110.1 | R297 | R297-Y299 HydrophobicContact CB-CE2 4.4Š|
| 300 | I | 29.4 | Very low | 34.3 | Very low | 133 Ų | 133 | 173.5 Ų | 173.5 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | | | trans | -91.2 | 123.1 | 172.1 | -60.7 | 168.9 | 0 | 0 | 0 | 106.9 | V298 V302 | V298-I300 HydrophobicContact CG1-CG1 4.08Å; I300-V302 HydrophobicContact CG2-CG2 4.11Å |
| 301 | F | 33 | Very low | 34.1 | Very low | 202 Ų | 202 | 169 Ų | 169 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | | | trans | -130.5 | 118.1 | 158.5 | -108.1 | -84.1 | 0 | 0 | 0 | 110.7 | | |
| 302 | V | 31.4 | Very low | 34.3 | Very low | 107 Ų | 107 | 164.8 Ų | 164.8 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | | | trans | -96.2 | 123.4 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 108.1 | I300 | I300-V302 HydrophobicContact CG2-CG2 4.11Š|
| 303 | S | 34.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 163.2 Ų | 163.2 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -142.1 | 143.5 | 156.6 | -105.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 304 | R | 32.8 | Very low | 34.1 | Very low | 208 Ų | 208 | 166.4 Ų | 166.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -108.7 | 130.6 | -164 | -58.3 | 165.2 | 175.7 | 159.3 | -3.7 | 110.1 | | |
| 305 | F | 33.8 | Very low | 34.1 | Very low | 220 Ų | 220 | 167.9 Ų | 167.9 | 97% | 0.965 | 79% | 0.794 | S | S | * | * | | | trans | -131.5 | 131.7 | 145.7 | -94 | -78.8 | 0 | 0 | 0 | 110.7 | | |
| 306 | R | 35.2 | Very low | 34.1 | Very low | 210 Ų | 210 | 166.9 Ų | 166.9 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | -96.5 | 134.8 | -176.7 | -66 | 169.1 | 167.4 | 172.8 | -6.1 | 109.6 | F308 | R306-F308 HydrophobicContact CB-CE2 4.34Å; R306-F308 HydrophobicContact CG-CE2 4.27Å |
| 307 | N | 33.3 | Very low | 34.3 | Very low | 163 Ų | 163 | 172.1 Ų | 172.1 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | | -152.7 | 153.7 | 122.2 | -142.4 | -33.9 | 0 | 0 | 0 | 110.8 | | |
| 308 | F | 33.5 | Very low | 34.3 | Very low | 154 Ų | 154 | 175.7 Ų | 175.7 | 68% | 0.675 | 82% | 0.817 | S | S | * | * | | | trans | -113.5 | 133.5 | -167.6 | -72.5 | -101.4 | 0 | 0 | 0 | 111.9 | R306 | R306-F308 HydrophobicContact CB-CE2 4.34Å; R306-F308 HydrophobicContact CG-CE2 4.27Å |
| 309 | N | 36.1 | Very low | 34.7 | Very low | 158 Ų | 158 | 175.1 Ų | 175.1 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | | -178.2 | 116.8 | 120.9 | -98.9 | -44.6 | 0 | 0 | 0 | 112.3 | | |
| 310 | R | 36.2 | Very low | 34.9 | Very low | 245 Ų | 245 | 170.4 Ų | 170.4 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | | | trans | -149.2 | 118.9 | 157.1 | -123 | -178.8 | -175.7 | -167.5 | 1 | 109.4 | | |
| 311 | I | 35.2 | Very low | 35.5 | Very low | 153 Ų | 153 | 169.7 Ų | 169.7 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 134.7 | -177.4 | -62.4 | 171.7 | 0 | 0 | 0 | 108.9 | | |
| 312 | P | 39.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 171 Ų | 171 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 147.1 | -173.8 | 31.8 | -35.8 | 0 | 0 | 0 | 113.2 | | |
| 313 | F | 35.1 | Very low | 36.2 | Very low | 206 Ų | 206 | 169.6 Ų | 169.6 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 138.9 | 166.5 | -76.2 | -87.1 | 0 | 0 | 0 | 110.7 | T315 | F313-T315 PolarHBondContact O-N 2.72Š|
| 314 | R | 36.8 | Very low | 36.4 | Very low | 235 Ų | 235 | 172 Ų | 172 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | | | trans | -77.1 | 113.2 | 176.9 | -74.7 | -178.6 | 170.6 | -172.9 | -3.2 | 111.2 | V316 | R314-V316 PolarHBondContact O-N 3.12Š|
| 315 | T | 35.3 | Very low | 36.7 | Very low | 142 Ų | 142 | 170.9 Ų | 170.9 | 87% | 0.871 | 84% | 0.84 | S | S | * | * | | | trans | -74.4 | 104.3 | 160 | -45.8 | 0 | 0 | 0 | 0 | 108.8 | F313 R317 | F313-T315 PolarHBondContact O-N 2.72Å; T315-R317 PolarHBondContact O-N 3.42Å |
| 316 | V | 38.4 | Very low | 37 | Very low | 126 Ų | 126 | 169.2 Ų | 169.2 | 76% | 0.764 | 83% | 0.833 | S | S | * | * | | | trans | -75 | 123.7 | 177 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | R314 | R314-V316 PolarHBondContact O-N 3.12Š|
| 317 | R | 35.1 | Very low | 37.2 | Very low | 240 Ų | 240 | 165.6 Ų | 165.6 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | | | trans | -64.5 | 133.6 | 175.2 | -82.7 | 179.9 | 167.1 | 167.9 | -5.4 | 110.5 | T315 A319 | T315-R317 PolarHBondContact O-N 3.42Å; R317-A319 PolarHBondContact O-N 2.83Å |
| 318 | R | 34 | Very low | 37.5 | Very low | 248 Ų | 248 | 161.1 Ų | 161.1 | 94% | 0.936 | 83% | 0.832 | S | S | * | * | | | trans | -76.9 | 99.6 | 172.9 | -163.4 | -178.2 | -157.6 | 169.6 | 5 | 109 | | |
| 319 | A | 37.1 | Very low | 37.8 | Very low | 100 Ų | 100 | 160.3 Ų | 160.3 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | | | trans | -80.2 | 114.9 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | R317 | R317-A319 PolarHBondContact O-N 2.83Š|
| 320 | A | 38.9 | Very low | 37.9 | Very low | 92 Ų | 92 | 158.9 Ų | 158.9 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 125.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 321 | S | 40.1 | Very low | 37.7 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 144.1 | 173.1 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 322 | Y | 37.6 | Very low | 37.9 | Very low | 229 Ų | 229 | 153.7 Ų | 153.7 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 140.3 | 160.8 | -84.7 | -110.3 | 0 | 0 | 0 | 109.1 | | |
| 323 | G | 41.9 | Very low | 37.6 | Very low | 78 Ų | 78 | 159 Ų | 159 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | | | trans | -157.7 | 86.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 324 | E | 38.8 | Very low | 37.5 | Very low | 175 Ų | 175 | 155.7 Ų | 155.7 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | | | trans | -87.7 | 114.2 | -169.7 | -176.6 | -168 | 151.2 | 0 | 0 | 111.5 | | |
| 325 | Q | 40.1 | Very low | 37.3 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | | | trans | -155.2 | 103 | 157.1 | -120.6 | 167.5 | 54 | 0 | 0 | 114.9 | | |
| 326 | K | 39.9 | Very low | 37.2 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | | | trans | 20.4 | 129.3 | 145.2 | -64.7 | 179.7 | 178 | 177.4 | 0 | 121.5 | | |
| 327 | S | 38.7 | Very low | 37 | Very low | 133 Ų | 133 | 151.9 Ų | 151.9 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | | | trans | 79.8 | 138.1 | 135.6 | -157.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 328 | G | 39.8 | Very low | 36.8 | Very low | 70 Ų | 70 | 150.8 Ų | 150.8 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | | | trans | 139.8 | 82.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 329 | T | 38.7 | Very low | 36.9 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | trans | -64.4 | 152 | 157.3 | 48.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 330 | T | 39.7 | Very low | 36.8 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | | -166.2 | 151.9 | 64.7 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 331 | S | 31.6 | Very low | 36.7 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | | | trans | -79 | 143.3 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 332 | H | 40.1 | Very low | 36.6 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 89% | 0.889 | 83% | 0.825 | S | S | * | * | | | trans | -148.9 | 148 | 142.2 | -115.3 | -85.8 | 0 | 0 | 0 | 111.5 | | |
| 333 | R | 32.3 | Very low | 36.3 | Very low | 223 Ų | 223 | 142.3 Ų | 142.3 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | | | trans | -84.6 | 152.7 | -178 | -57.5 | 173.6 | 179 | 169.6 | -1.7 | 111.4 | | |
| 334 | C | 32.8 | Very low | 36.1 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | | | | -171 | 160.8 | 111.3 | -101.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 335 | A | 32.1 | Very low | 36.1 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | | | trans | -149.3 | 139.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 336 | W | 33.5 | Very low | 36.1 | Very low | 257 Ų | 257 | 140.4 Ų | 140.4 | 97% | 0.973 | 82% | 0.821 | S | S | * | * | | | trans | -162.6 | 138.7 | 153.8 | -80.5 | -9.6 | 0 | 0 | 0 | 105.1 | | |
| 337 | A | 33.4 | Very low | 36.1 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | | | cis | 107.6 | 113.5 | 13.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 338 | F | 32.3 | Very low | 36.2 | Very low | 217 Ų | 217 | 136.7 Ų | 136.7 | 95% | 0.952 | 81% | 0.814 | S | S | * | * | | | trans | 63.1 | 160.6 | 176 | -59.3 | -83.1 | 0 | 0 | 0 | 115.5 | | |
| 339 | A | 36.3 | Very low | 36.2 | Very low | 82 Ų | 82 | 138.1 Ų | 138.1 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | | | cis | -144.7 | 168.3 | 11.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 340 | S | 34.2 | Very low | 36.3 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -83.2 | 142.6 | 163.2 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 341 | F | 36.8 | Very low | 36.4 | Very low | 208 Ų | 208 | 137.7 Ų | 137.7 | 91% | 0.912 | 82% | 0.819 | S | S | * | * | | | trans | -135.8 | 143.2 | 166.5 | -110 | -88.2 | 0 | 0 | 0 | 111.4 | | |
| 342 | S | 38 | Very low | 37.1 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | | | trans | -123.6 | 121.2 | -173.9 | 55 | 0 | 0 | 0 | 0 | 111.4 | | |
| 343 | G | 32.3 | Very low | 37.2 | Very low | 84 Ų | 84 | 137 Ų | 137 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | | | trans | 78.6 | 118.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 344 | S | 37 | Very low | 38 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -153.4 | 164.2 | 139 | -163.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 345 | T | 39.3 | Very low | 38.7 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | trans | -104.7 | 132.4 | -173.7 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 346 | D | 38.7 | Very low | 39.5 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -163.5 | 143.3 | 141 | -128.1 | -15.6 | 0 | 0 | 0 | 111.7 | | |
| 347 | P | 41.3 | Very low | 39.5 | Very low | 124 Ų | 124 | 132 Ų | 132 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -106 | 93.5 | 178.8 | 36.2 | -25.5 | 0 | 0 | 0 | 112.4 | | |
| 348 | C | 40.3 | Very low | 39.8 | Very low | 117 Ų | 117 | 134 Ų | 134 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -101.5 | 136.8 | 174.4 | -78.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 349 | A | 38.9 | Very low | 40.3 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -80 | 135 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 350 | I | 42 | Very low | 40.8 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | | | trans | -100.7 | 96.4 | 162.1 | -60 | 179.6 | 0 | 0 | 0 | 107.5 | V352 | I350-V352 HydrophobicContact CG2-CG2 3.94Å; I350-V352 PolarHBondContact O-N 3.01Å |
| 351 | A | 42 | Very low | 41.1 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -78.1 | 113 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 352 | V | 45.8 | Very low | 41.2 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -113.5 | 101.4 | 169 | -168.3 | 0 | 0 | 0 | 0 | 109.2 | I350 | I350-V352 HydrophobicContact CG2-CG2 3.94Å; I350-V352 PolarHBondContact O-N 3.01Å |
| 353 | H | 42.9 | Very low | 41.6 | Very low | 152 Ų | 152 | 133 Ų | 133 | 70% | 0.704 | 79% | 0.792 | S | S | * | * | | | trans | -0.9 | 117.5 | 163.7 | -156.4 | -105.4 | 0 | 0 | 0 | 117.8 | E355 | H353-E355 VanDerWaalsContact CE1-CG 3.42Å; H353-E355 WeakPolarHBondContact CE1-CG 3.41Å |
| 354 | M | 48.2 | Very low | 42.3 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | -101.3 | 122.2 | 161.8 | -69.4 | -84.5 | 79.1 | 0 | 0 | 109.3 | | |
| 355 | E | 47.9 | Very low | 42.6 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -116.9 | 120.9 | 174.3 | -125.6 | -70.2 | 121.5 | 0 | 0 | 107.8 | H353 | H353-E355 VanDerWaalsContact CE1-CG 3.42Å; H353-E355 WeakPolarHBondContact CE1-CG 3.41Å |
| 356 | P | 47.9 | Very low | 43.1 | Very low | 80 Ų | 80 | 134.8 Ų | 134.8 | 52% | 0.519 | 78% | 0.777 | S | S | . | * | | | trans | -104.2 | 150.1 | -170.3 | 38.8 | -34.1 | 0 | 0 | 0 | 114.2 | | |
| 357 | F | 33.4 | Very low | 43.2 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | 70.2 | 114.8 | 168.9 | -48.9 | -73.3 | 0 | 0 | 0 | 118.7 | | |
| 358 | S | 41.6 | Very low | 43.7 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | | -156.3 | 119.1 | 129.4 | -89.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 359 | T | 42.1 | Very low | 43.8 | Very low | 151 Ų | 151 | 132 Ų | 132 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | | | trans | -86.7 | 106.8 | 172 | 46.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 360 | S | 45.9 | Very low | 44.3 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | -125.7 | 129.5 | 172.6 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 361 | A | 40.1 | Very low | 44.3 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -83.1 | 121.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K363 | A361-K363 PolarHBondContact O-N 3.34Š|
| 362 | F | 39.6 | Very low | 44.5 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -84.8 | 111 | 171.2 | -87.9 | -88.6 | 0 | 0 | 0 | 111.2 | | |
| 363 | K | 46.8 | Very low | 44.2 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -111.5 | 108.1 | 170.9 | -169.3 | 179.7 | -174.8 | -177.7 | 0 | 108.2 | A361 C365 | A361-K363 PolarHBondContact O-N 3.34Å; K363-C365 PolarHBondContact O-N 3.19Å |
| 364 | I | 46.8 | Very low | 44.3 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -82.6 | 118.6 | -177.8 | -60.4 | 175.6 | 0 | 0 | 0 | 109.1 | T366 | I364-T366 HydrophobicContact CG2-CG2 4.49Š|
| 365 | C | 42.7 | Very low | 44 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | | | trans | -116.5 | 135.7 | 168.6 | -70.2 | 0 | 0 | 0 | 0 | 109 | K363 | K363-C365 PolarHBondContact O-N 3.19Š|
| 366 | T | 51.2 | Low | 43.9 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -140 | 103.6 | 171.1 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | I364 | I364-T366 HydrophobicContact CG2-CG2 4.49Š|
| 367 | D | 40.1 | Very low | 43.7 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | | | trans | -75.4 | 149.1 | -175.8 | -69.7 | -59.8 | 0 | 0 | 0 | 113.2 | | |
| 368 | G | 50.6 | Low | 44.3 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | | | trans | -142.5 | 99.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 369 | G | 44.3 | Very low | 44.5 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -115.5 | 163.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 370 | S | 49 | Very low | 44.4 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -172 | 113.8 | 153.7 | -162.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 371 | R | 41.8 | Very low | 44.3 | Very low | 224 Ų | 224 | 145.3 Ų | 145.3 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | 57.1 | 114.8 | 141.5 | -57.5 | 173.2 | -169.1 | -144.3 | 0.8 | 122.5 | | |
| 372 | R | 45.1 | Very low | 45 | Very low | 244 Ų | 244 | 146.5 Ų | 146.5 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | | 157.7 | 121.3 | 129.5 | -82.8 | 163 | -150.7 | -126.4 | 8.4 | 107.8 | | |
| 373 | A | 40.1 | Very low | 45.1 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | | 70 | 133.3 | 67.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 374 | L | 45 | Very low | 45.3 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | | | cis | -167.6 | 167 | 0.2 | -130.7 | 81.9 | 0 | 0 | 0 | 106.3 | | |
| 375 | A | 42.1 | Very low | 45.5 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | | | cis | -174.6 | 166.9 | -33.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 376 | R | 46.1 | Very low | 45.8 | Very low | 233 Ų | 233 | 147.8 Ų | 147.8 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | 73.6 | 159.4 | 171.4 | -58.3 | 175.6 | -179.2 | -174.7 | 0.4 | 115.9 | | |
| 377 | H | 43.5 | Very low | 46 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 68% | 0.676 | 80% | 0.797 | S | S | * | * | | | cis | -158.1 | 156 | 3.1 | -135.9 | 7.7 | 0 | 0 | 0 | 114 | | |
| 378 | L | 45.6 | Very low | 46.2 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 61% | 0.613 | 79% | 0.793 | S | S | * | * | | | trans | 49.7 | 127.1 | 153.4 | -61.3 | 175.3 | 0 | 0 | 0 | 121.4 | | |
| 379 | Q | 45.9 | Very low | 45.7 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | | 69 | 146.1 | 74.2 | -64.9 | -173.8 | 9.7 | 0 | 0 | 114.7 | | |
| 380 | R | 39.7 | Very low | 45.4 | Very low | 222 Ų | 222 | 155.5 Ų | 155.5 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | cis | -164.4 | 146.4 | 27.3 | -149.1 | 169.3 | -176.4 | 154 | -2.9 | 114.4 | | |
| 381 | A | 43.8 | Very low | 45.5 | Very low | 92 Ų | 92 | 153.9 Ų | 153.9 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | 38.8 | 140.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 125.5 | | |
| 382 | P | 54.4 | Low | 45.5 | Very low | 128 Ų | 128 | 151 Ų | 151 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | | | trans | -121.5 | 164.8 | 165.4 | 41.4 | -30.8 | 0 | 0 | 0 | 115.7 | | |
| 383 | S | 42.9 | Very low | 45.7 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | -163.3 | 122.7 | 169.9 | 36.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 384 | R | 50.3 | Low | 45.8 | Very low | 249 Ų | 249 | 148.1 Ų | 148.1 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | | | trans | 68.7 | 155.2 | 149.8 | -81 | -171.4 | 169.3 | -171.9 | -2.8 | 124.2 | | |
| 385 | P | 51.7 | Low | 45.9 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | | | trans | -130.4 | 177.2 | -175.1 | 44.9 | -29.7 | 0 | 0 | 0 | 116.5 | | |
| 386 | L | 49.6 | Very low | 46 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | -174.2 | 161.2 | 133.4 | -122.7 | 79.7 | 0 | 0 | 0 | 112.2 | | |
| 387 | P | 54.6 | Low | 46 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -123.3 | 158.1 | -174.6 | 41.1 | -29.3 | 0 | 0 | 0 | 116.8 | | |
| 388 | T | 43.6 | Very low | 46.1 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -153.8 | 127.3 | 166 | -16.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 389 | R | 39.9 | Very low | 46.1 | Very low | 221 Ų | 221 | 137.2 Ų | 137.2 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | | | trans | 53.8 | 134.4 | 141.6 | -83.5 | -179.1 | 176.6 | -163.1 | -0.2 | 125.9 | | |
| 390 | L | 39.3 | Very low | 46.1 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | | | | 95.6 | 136.9 | 127.9 | -81.6 | 169 | 0 | 0 | 0 | 123.2 | | |
| 391 | G | 49.7 | Very low | 46.3 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | 112.2 | 141.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 392 | L | 43.2 | Very low | 46.6 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | | | cis | -170 | 169.3 | -39.4 | -120.4 | 170.7 | 0 | 0 | 0 | 108.3 | | |
| 393 | Q | 48 | Very low | 46.4 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | 71.4 | 123.4 | -179.9 | -48 | -165 | 28.5 | 0 | 0 | 114.2 | | |
| 394 | A | 42.9 | Very low | 46.6 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | | 86.8 | 139 | 52.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 395 | S | 46.3 | Very low | 46.4 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | cis | -152.2 | 167.8 | 17.4 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 396 | A | 45.9 | Very low | 46 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | 41.9 | 146.1 | 146 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 397 | A | 45.3 | Very low | 45.5 | Very low | 86 Ų | 86 | 135 Ų | 135 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | cis | -170.7 | 162.7 | -14.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 398 | S | 45.3 | Very low | 45.2 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 65.7 | 145.4 | 159.5 | -81.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 399 | A | 46 | Very low | 45.4 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | cis | -150.5 | 175.2 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 400 | R | 44.7 | Very low | 45.7 | Very low | 247 Ų | 247 | 140 Ų | 140 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | | | trans | -50.8 | 164.4 | 174.5 | -62.3 | 162.2 | 176.1 | 161.1 | -4.2 | 113.1 | | |
| 401 | A | 45.2 | Very low | 45.9 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | cis | -145.5 | -171.7 | 26.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 402 | R | 49.5 | Very low | 45.8 | Very low | 233 Ų | 233 | 138.1 Ų | 138.1 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | -139.2 | -166.1 | -167.3 | -144.9 | -166.6 | 165.4 | -170.3 | -4.7 | 110.4 | | |
| 403 | P | 49.9 | Very low | 46.2 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 59% | 0.591 | 80% | 0.799 | S | S | * | * | | | | -118.3 | -154 | -114.7 | 44.3 | -27.8 | 0 | 0 | 0 | 114.6 | | |
| 404 | T | 48.1 | Very low | 46 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | 72.3 | 147.1 | 163.2 | 41.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 405 | T | 46.4 | Very low | 46.2 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | cis | -155.1 | 160.7 | 8.4 | -8.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 406 | T | 42.8 | Very low | 46 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | trans | 43.2 | 118.4 | 152.4 | 52.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 407 | L | 39 | Very low | 45.9 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | | 24.3 | 155.3 | 117.6 | -66.9 | 178.3 | 0 | 0 | 0 | 121.6 | | |
| 408 | P | 48.4 | Very low | 45.7 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | cis | -143.1 | -177.3 | -11.4 | 37.2 | -16.2 | 0 | 0 | 0 | 117.1 | | |
| 409 | R | 47.3 | Very low | 45.6 | Very low | 237 Ų | 237 | 145.5 Ų | 145.5 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | | | trans | 91.1 | 126.4 | 139.6 | -143 | 178.4 | -166.5 | 170.7 | 3.9 | 121.4 | | |
| 410 | R | 46.3 | Very low | 45.5 | Very low | 226 Ų | 226 | 148.2 Ų | 148.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | 88 | 113.3 | 146.7 | -124.1 | -168.4 | 179.9 | 174.7 | -1.6 | 121.8 | | |
| 411 | S | 44.5 | Very low | 45.8 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | 54.9 | 124.1 | 136.6 | 57.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 412 | G | 46.8 | Very low | 45.8 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 176.4 | 75 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 413 | T | 52.4 | Low | 45.6 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | | | trans | 12.8 | 122.8 | 156.5 | 50.2 | 0 | 0 | 0 | 0 | 123 | | |
| 414 | G | 43.8 | Very low | 45.2 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | 91.7 | 150.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 415 | S | 46.6 | Very low | 44.7 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | cis | -162.3 | 166.7 | -7.9 | -83.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 416 | A | 41.3 | Very low | 44.6 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 83.1 | 151.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 417 | L | 44.2 | Very low | 44.5 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | 65.1 | 63.9 | 176.8 | -58.5 | -178.7 | 0 | 0 | 0 | 117.6 | | |
| 418 | E | 41.8 | Very low | 44.7 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | 36 | 118.2 | 134.4 | -61.8 | -174.5 | 121.4 | 0 | 0 | 120.7 | | |
| 419 | R | 43.2 | Very low | 44.3 | Very low | 237 Ų | 237 | 140 Ų | 140 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | | | trans | -116.8 | 140.2 | 148.2 | -67.6 | 179.5 | 171.8 | -140.3 | -1.8 | 108.3 | P421 | R419-P421 VanDerWaalsContact O-CD 3.28Å; R419-P421 WeakPolarHBondContact O-CD 3.35Å |
| 420 | H | 43.3 | Very low | 44 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | | | trans | -101.5 | 107.7 | 161.8 | -90.4 | -63.4 | 0 | 0 | 0 | 110.9 | F422 | H420-F422 AromaticContact CE1-CE2 3.77Å; H420-F422 AromaticContact ND1-CD2 3.95Å; H420-F422 AromaticContact ND1-CE2 3.38Å; H420-F422 WeakPolarHBondContact ND1-CE2 3.43Å |
| 421 | P | 51.3 | Low | 43.4 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 81% | 0.807 | S | S | * | * | | | trans | -115.1 | 96.7 | 161.3 | 35.2 | -23.4 | 0 | 0 | 0 | 110 | R419 | R419-P421 VanDerWaalsContact O-CD 3.28Å; R419-P421 WeakPolarHBondContact O-CD 3.35Å |
| 422 | F | 45.9 | Very low | 43 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -92.2 | 103 | 169.1 | -79 | -63.7 | 0 | 0 | 0 | 110.6 | H420 | H420-F422 AromaticContact CE1-CE2 3.77Å; H420-F422 AromaticContact ND1-CD2 3.95Å; H420-F422 AromaticContact ND1-CE2 3.38Å; H420-F422 WeakPolarHBondContact ND1-CE2 3.43Å |
| 423 | S | 43.5 | Very low | 42.7 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | trans | -126.7 | 98.3 | 162.7 | -60.9 | 0 | 0 | 0 | 0 | 106 | | |
| 424 | G | 41.4 | Very low | 42.2 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | | | trans | -157.3 | 74.8 | -160.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 425 | L | 37.4 | Very low | 42.2 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | 4.4 | 113.8 | 153.1 | -168.2 | 139.3 | 0 | 0 | 0 | 117.6 | | |
| 426 | V | 45.2 | Very low | 42.5 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | | | trans | -139 | 117.3 | 152.6 | 175.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 427 | D | 40.6 | Very low | 42.7 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 66% | 0.658 | 81% | 0.812 | S | S | * | * | | | trans | -90.2 | 160.8 | 173 | -70.8 | -67.8 | 0 | 0 | 0 | 111.8 | | |
| 428 | S | 44.4 | Very low | 43.4 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | 63.3 | 82 | 156.9 | -59.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 429 | A | 39.6 | Very low | 44.2 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | | | trans | -171.3 | 115.7 | 134.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 430 | G | 39.7 | Very low | 45.1 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | 161.5 | 36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 431 | E | 35.2 | Very low | 46.5 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -71.7 | 163.4 | 166.8 | -68.7 | -158.8 | 121.3 | 0 | 0 | 112 | | |
| 432 | L | 36.2 | Very low | 47.3 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | | | trans | 61.8 | 104.1 | -176 | -70.7 | 79.4 | 0 | 0 | 0 | 115.7 | | |
| 433 | L | 40.2 | Very low | 48.5 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | | | | -162.7 | 144.7 | 103.8 | -100.4 | 168.7 | 0 | 0 | 0 | 110.9 | | |
| 434 | H | 41.3 | Very low | 49.6 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -77 | 134.2 | -167.1 | -69.9 | -81.8 | 0 | 0 | 0 | 114.2 | | |
| 435 | T | 44.5 | Very low | 51.1 | Low | 125 Ų | 125 | 132.4 Ų | 132.4 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 129.6 | 156.6 | 48.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 436 | P | 53 | Low | 52.8 | Low | 119 Ų | 119 | 129.2 Ų | 129.2 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -70 | 135.3 | 176.2 | 27.6 | -33.3 | 0 | 0 | 0 | 110.5 | R438 | P436-R438 PolarHBondContact O-N 3.21Š|
| 437 | W | 45.9 | Very low | 54.2 | Low | 253 Ų | 253 | 127.6 Ų | 127.6 | 96% | 0.958 | 71% | 0.712 | S | S | * | * | | | trans | -58.3 | 110.6 | -178.2 | -78.9 | 71.4 | 0 | 0 | 0 | 111.5 | I439 | W437-I439 PolarHBondContact O-N 2.91Š|
| 438 | R | 56.9 | Low | 55.8 | Low | 234 Ų | 234 | 127.1 Ų | 127.1 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -73 | 116.5 | 163.8 | -74.6 | -170.5 | 175.2 | -131.8 | 0.6 | 108.6 | P436 | P436-R438 PolarHBondContact O-N 3.21Š|
| 439 | I | 58.6 | Low | 56.9 | Low | 118 Ų | 118 | 124.7 Ų | 124.7 | 61% | 0.605 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 123.1 | 165.6 | -61.4 | 172.5 | 0 | 0 | 0 | 107.2 | W437 T441 M443 | W437-I439 PolarHBondContact O-N 2.91Å; I439-T441 PolarHBondContact O-N 3.16Å; I439-M443 HydrophobicContact CG2-CB 3.73Å; I439-M443 HydrophobicContact CG2-CE 4.1Å; I439-M443 HydrophobicContact CG2-SD 4.45Å |
| 440 | P | 63.1 | Low | 58.6 | Low | 75 Ų | 75 | 123.7 Ų | 123.7 | 49% | 0.487 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 139.3 | 178.1 | 26.1 | -32.9 | 0 | 0 | 0 | 109.3 | S442 M443 | P440-S442 PolarHBondContact O-N 2.9Å; P440-M443 HydrophobicContact CG-CB 4.36Å; P440-M443 WeakPolarHBondContact O-CB 3.48Å; P440-M443 PolarHBondContact O-N 2.8Å |
| 441 | T | 72.2 | Confident | 60 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 76% | 0.755 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -56.3 | -30.9 | -172.7 | 42.5 | 0 | 0 | 0 | 0 | 113.2 | I439 M443 A444 T445 | I439-T441 PolarHBondContact O-N 3.16Å; T441-M443 VanDerWaalsContact C-N 3.32Å; T441-M443 PolarHBondContact O-N 3.38Å; T441-A444 PolarHBondContact O-N 3.06Å; T441-T445 PolarHBondContact O-N 3.35Å; T441-T445 VanDerWaalsContact O-N 3.1Å; T441-T445 PolarHBondContact O-OG1 2.92Å |
| 442 | S | 67.6 | Low | 61.7 | Low | 75 Ų | 75 | 116.2 Ų | 116.2 | 52% | 0.524 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -54.1 | -41.3 | 171.6 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | P440 T445 V446 | P440-S442 PolarHBondContact O-N 2.9Å; S442-T445 PolarHBondContact O-N 3.38Å; S442-V446 WeakPolarHBondContact O-CG2 3.4Å; S442-V446 PolarHBondContact O-N 3.19Å |
| 443 | M | 72.4 | Confident | 62.9 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 48% | 0.483 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.2 | -39.6 | 178.7 | -118.2 | -179.4 | 76 | 0 | 0 | 111.7 | I439 P440 T441 V446 L447 | I439-M443 HydrophobicContact CG2-CB 3.73Å; I439-M443 HydrophobicContact CG2-CE 4.1Å; I439-M443 HydrophobicContact CG2-SD 4.45Å; P440-M443 HydrophobicContact CG-CB 4.36Å; P440-M443 WeakPolarHBondContact O-CB 3.48Å; P440-M443 PolarHBondContact O-N 2.8Å; T441-M443 VanDerWaalsContact C-N 3.32Å; T441-M443 PolarHBondContact O-N 3.38Å; M443-V446 PolarHBondContact O-N 2.83Å; M443-L447 WeakPolarHBondContact O-CG 3.45Å; M443-L447 PolarHBondContact O-N 3.13Å |
| 444 | A | 67 | Low | 63.7 | Low | 55 Ų | 55 | 109 Ų | 109 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T441 L447 L448 | T441-A444 PolarHBondContact O-N 3.06Å; A444-L447 PolarHBondContact O-N 3.17Å; A444-L448 WeakPolarHBondContact O-CB 3.37Å; A444-L448 PolarHBondContact O-N 3.28Å |
| 445 | T | 71.7 | Confident | 64.1 | Low | 93 Ų | 93 | 103.7 Ų | 103.7 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -40.9 | 174.4 | -49.7 | 0 | 0 | 0 | 0 | 112.2 | T441 S442 L448 S449 | T441-T445 PolarHBondContact O-N 3.35Å; T441-T445 VanDerWaalsContact O-N 3.1Å; T441-T445 PolarHBondContact O-OG1 2.92Å; S442-T445 PolarHBondContact O-N 3.38Å; T445-L448 PolarHBondContact O-N 3.13Å; T445-S449 WeakPolarHBondContact O-CB 3.28Å; T445-S449 PolarHBondContact O-N 3.24Å |
| 446 | V | 74 | Confident | 64.3 | Low | 84 Ų | 84 | 104.1 Ų | 104.1 | 51% | 0.509 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.2 | -47.4 | 176 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | S442 M443 L448 S449 I450 | S442-V446 WeakPolarHBondContact O-CG2 3.4Å; S442-V446 PolarHBondContact O-N 3.19Å; M443-V446 PolarHBondContact O-N 2.83Å; V446-L448 VanDerWaalsContact C-N 3.34Å; V446-L448 PolarHBondContact O-N 2.78Å; V446-S449 WeakPolarHBondContact O-CB 3.38Å; V446-S449 PolarHBondContact O-N 2.96Å; V446-I450 HydrophobicContact CG1-CD1 3.78Å; V446-I450 HydrophobicContact CG1-CG1 4.46Å; V446-I450 WeakPolarHBondContact O-CG1 3.26Å; V446-I450 PolarHBondContact O-N 2.89Å |
| 447 | L | 73.2 | Confident | 64.4 | Low | 107 Ų | 107 | 101.5 Ų | 101.5 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 177.2 | -69.4 | 172.4 | 0 | 0 | 0 | 112.2 | M443 A444 I450 S451 | M443-L447 WeakPolarHBondContact O-CG 3.45Å; M443-L447 PolarHBondContact O-N 3.13Å; A444-L447 PolarHBondContact O-N 3.17Å; L447-I450 PolarHBondContact O-N 3.34Å; L447-S451 WeakPolarHBondContact O-CB 3.46Å; L447-S451 PolarHBondContact O-N 2.83Å |
| 448 | L | 74.8 | Confident | 64.4 | Low | 113 Ų | 113 | 94 Ų | 94 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 175.4 | -174.8 | 62.5 | 0 | 0 | 0 | 111.4 | A444 T445 V446 S451 T452 | A444-L448 WeakPolarHBondContact O-CB 3.37Å; A444-L448 PolarHBondContact O-N 3.28Å; T445-L448 PolarHBondContact O-N 3.13Å; V446-L448 VanDerWaalsContact C-N 3.34Å; V446-L448 PolarHBondContact O-N 2.78Å; L448-S451 PolarHBondContact O-N 3.28Å; L448-S451 PolarHBondContact O-OG 3.15Å; L448-T452 HydrophobicContact CD1-CG2 4.49Å; L448-T452 PolarHBondContact O-N 2.95Å; L448-T452 PolarHBondContact O-OG1 2.84Å; L448-T452 VanDerWaalsContact O-OG1 3.1Å |
| 449 | S | 66.9 | Low | 64.1 | Low | 69 Ų | 69 | 88.6 Ų | 88.6 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 112.9 | T445 V446 S451 T452 N453 | T445-S449 WeakPolarHBondContact O-CB 3.28Å; T445-S449 PolarHBondContact O-N 3.24Å; V446-S449 WeakPolarHBondContact O-CB 3.38Å; V446-S449 PolarHBondContact O-N 2.96Å; S449-S451 VanDerWaalsContact C-N 3.28Å; S449-S451 PolarHBondContact O-N 2.67Å; S449-T452 PolarHBondContact O-N 3.19Å; S449-T452 PolarHBondContact O-OG1 3.18Å; S449-N453 VanDerWaalsContact O-CB 3.29Å; S449-N453 WeakPolarHBondContact O-CB 3.48Å; S449-N453 PolarHBondContact O-N 3.05Å |
| 450 | I | 75.9 | Confident | 63.8 | Low | 88 Ų | 88 | 87.5 Ų | 87.5 | 45% | 0.451 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.6 | -68.4 | 166.2 | 0 | 0 | 0 | 110.1 | V446 L447 T454 | V446-I450 HydrophobicContact CG1-CD1 3.78Å; V446-I450 HydrophobicContact CG1-CG1 4.46Å; V446-I450 WeakPolarHBondContact O-CG1 3.26Å; V446-I450 PolarHBondContact O-N 2.89Å; L447-I450 PolarHBondContact O-N 3.34Å; I450-T454 VanDerWaalsContact O-CB 3.26Å; I450-T454 WeakPolarHBondContact O-CB 3.2Å; I450-T454 PolarHBondContact O-N 3.38Å; I450-T454 PolarHBondContact O-OG1 3.06Å |
| 451 | S | 70 | Confident | 63.2 | Low | 30 Ų | 30 | 92 Ų | 92 | 21% | 0.21 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 179.3 | 82.8 | 0 | 0 | 0 | 0 | 112.3 | L447 L448 S449 T454 F455 | L447-S451 WeakPolarHBondContact O-CB 3.46Å; L447-S451 PolarHBondContact O-N 2.83Å; L448-S451 PolarHBondContact O-N 3.28Å; L448-S451 PolarHBondContact O-OG 3.15Å; S449-S451 VanDerWaalsContact C-N 3.28Å; S449-S451 PolarHBondContact O-N 2.67Å; S451-T454 PolarHBondContact O-N 3.14Å; S451-F455 WeakPolarHBondContact O-CD2 3.43Å; S451-F455 PolarHBondContact O-N 3.15Å |
| 452 | T | 70.5 | Confident | 62 | Low | 78 Ų | 78 | 90.8 Ų | 90.8 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.5 | -38.6 | -176.2 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | L448 S449 F455 H456 | L448-T452 HydrophobicContact CD1-CG2 4.49Å; L448-T452 PolarHBondContact O-N 2.95Å; L448-T452 PolarHBondContact O-OG1 2.84Å; L448-T452 VanDerWaalsContact O-OG1 3.1Å; S449-T452 PolarHBondContact O-N 3.19Å; S449-T452 PolarHBondContact O-OG1 3.18Å; T452-F455 PolarHBondContact O-N 2.95Å; T452-H456 PolarHBondContact O-N 3.35Å |
| 453 | N | 60.1 | Low | 60.6 | Low | 101 Ų | 101 | 90.6 Ų | 90.6 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 172.3 | -166.3 | -18.6 | 0 | 0 | 0 | 110.9 | S449 F455 H456 V457 | S449-N453 VanDerWaalsContact O-CB 3.29Å; S449-N453 WeakPolarHBondContact O-CB 3.48Å; S449-N453 PolarHBondContact O-N 3.05Å; N453-F455 VanDerWaalsContact C-N 3.35Å; N453-F455 PolarHBondContact O-N 3.13Å; N453-H456 WeakPolarHBondContact O-CB 3.39Å; N453-H456 PolarHBondContact O-N 3.43Å; N453-V457 PolarHBondContact O-N 2.92Å |
| 454 | T | 58.7 | Low | 58.7 | Low | 73 Ų | 73 | 92.3 Ų | 92.3 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | I450 S451 H456 V457 L458 | I450-T454 VanDerWaalsContact O-CB 3.26Å; I450-T454 WeakPolarHBondContact O-CB 3.2Å; I450-T454 PolarHBondContact O-N 3.38Å; I450-T454 PolarHBondContact O-OG1 3.06Å; S451-T454 PolarHBondContact O-N 3.14Å; T454-H456 VanDerWaalsContact C-N 3.34Å; T454-H456 PolarHBondContact O-N 3.13Å; T454-V457 PolarHBondContact O-N 3.24Å; T454-L458 HydrophobicContact CG2-CD1 4.08Å; T454-L458 PolarHBondContact O-N 3.46Å |
| 455 | F | 48.5 | Very low | 57.3 | Low | 66 Ų | 66 | 96.8 Ų | 96.8 | 29% | 0.289 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 172.5 | -72.8 | -59 | 0 | 0 | 0 | 112.2 | R59 S451 T452 N453 L458 L459 | R59-F455 VanDerWaalsContact NH1-CZ 3.29Å; S451-F455 WeakPolarHBondContact O-CD2 3.43Å; S451-F455 PolarHBondContact O-N 3.15Å; T452-F455 PolarHBondContact O-N 2.95Å; N453-F455 VanDerWaalsContact C-N 3.35Å; N453-F455 PolarHBondContact O-N 3.13Å; F455-L458 PolarHBondContact O-N 3.29Å; F455-L459 WeakPolarHBondContact O-CB 3.34Å; F455-L459 WeakPolarHBondContact O-CG 3.27Å; F455-L459 PolarHBondContact O-N 3.09Å |
| 456 | H | 50.3 | Low | 55.6 | Low | 134 Ų | 134 | 96.9 Ų | 96.9 | 62% | 0.62 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.4 | -39.9 | 178.3 | -146.9 | -77.9 | 0 | 0 | 0 | 112.5 | T452 N453 T454 T460 | T452-H456 PolarHBondContact O-N 3.35Å; N453-H456 WeakPolarHBondContact O-CB 3.39Å; N453-H456 PolarHBondContact O-N 3.43Å; T454-H456 VanDerWaalsContact C-N 3.34Å; T454-H456 PolarHBondContact O-N 3.13Å; H456-T460 WeakPolarHBondContact O-CB 3.25Å; H456-T460 WeakPolarHBondContact O-CG2 3.37Å; H456-T460 PolarHBondContact O-N 3.26Å; H456-T460 VanDerWaalsContact O-N 3.16Å; H456-T460 PolarHBondContact O-OG1 3.42Å |
| 457 | V | 53.7 | Low | 53.8 | Low | 64 Ų | 64 | 99.8 Ų | 99.8 | 39% | 0.388 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.2 | -34.6 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 112.3 | N453 T454 T460 K461 | N453-V457 PolarHBondContact O-N 2.92Å; T454-V457 PolarHBondContact O-N 3.24Å; V457-T460 PolarHBondContact O-OG1 3.38Å; V457-K461 HydrophobicContact CG1-CD 4.15Å; V457-K461 WeakPolarHBondContact O-CB 3.22Å; V457-K461 WeakPolarHBondContact O-CG 3.38Å; V457-K461 PolarHBondContact O-N 3.49Å |
| 458 | L | 46.9 | Very low | 52 | Low | 95 Ų | 95 | 105.5 Ų | 105.5 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.8 | -51.6 | 175.6 | -84.6 | 161.8 | 0 | 0 | 0 | 111.6 | T454 F455 T460 K461 T462 | T454-L458 HydrophobicContact CG2-CD1 4.08Å; T454-L458 PolarHBondContact O-N 3.46Å; F455-L458 PolarHBondContact O-N 3.29Å; L458-T460 VanDerWaalsContact C-N 3.26Å; L458-T460 PolarHBondContact O-N 2.85Å; L458-K461 PolarHBondContact O-N 3.39Å; L458-T462 PolarHBondContact O-N 2.89Å; L458-T462 VanDerWaalsContact O-N 3.09Å; L458-T462 PolarHBondContact O-OG1 2.89Å |
| 459 | L | 49.6 | Very low | 50 | Low | 121 Ų | 121 | 112 Ų | 112 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.6 | -36 | -179.7 | -76.2 | 164.8 | 0 | 0 | 0 | 112.7 | F455 | F455-L459 WeakPolarHBondContact O-CB 3.34Å; F455-L459 WeakPolarHBondContact O-CG 3.27Å; F455-L459 PolarHBondContact O-N 3.09Å |
| 460 | T | 52 | Low | 48.6 | Very low | 95 Ų | 95 | 116 Ų | 116 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.5 | -23.4 | 176.6 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | H456 V457 L458 | H456-T460 WeakPolarHBondContact O-CB 3.25Å; H456-T460 WeakPolarHBondContact O-CG2 3.37Å; H456-T460 PolarHBondContact O-N 3.26Å; H456-T460 VanDerWaalsContact O-N 3.16Å; H456-T460 PolarHBondContact O-OG1 3.42Å; V457-T460 PolarHBondContact O-OG1 3.38Å; L458-T460 VanDerWaalsContact C-N 3.26Å; L458-T460 PolarHBondContact O-N 2.85Å |
| 461 | K | 50.8 | Low | 46.6 | Very low | 170 Ų | 170 | 117.5 Ų | 117.5 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -93.9 | -21 | -179 | -75 | -177.2 | 175.7 | 179.4 | 0 | 115.1 | V457 L458 | V457-K461 HydrophobicContact CG1-CD 4.15Å; V457-K461 WeakPolarHBondContact O-CB 3.22Å; V457-K461 WeakPolarHBondContact O-CG 3.38Å; V457-K461 PolarHBondContact O-N 3.49Å; L458-K461 PolarHBondContact O-N 3.39Å |
| 462 | T | 48.2 | Very low | 44.9 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -101.7 | 1.6 | -173.5 | 62.7 | 0 | 0 | 0 | 0 | 115.9 | L458 | L458-T462 PolarHBondContact O-N 2.89Å; L458-T462 VanDerWaalsContact O-N 3.09Å; L458-T462 PolarHBondContact O-OG1 2.89Å |
| 463 | S | 36.8 | Very low | 43 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 50% | 0.497 | 67% | 0.672 | S | S | . | * | | | trans | -138.1 | 81.3 | -168.4 | -65.1 | 0 | 0 | 0 | 0 | 114.8 | L465 | S463-L465 PolarHBondContact O-N 3.09Š|
| 464 | P | 32.7 | Very low | 42 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | | | trans | -79.6 | 63.2 | 167.4 | 35.3 | -35.1 | 0 | 0 | 0 | 110.9 | | |
| 465 | L | 38.3 | Very low | 40.9 | Very low | 150 Ų | 150 | 127 Ų | 127 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | | | trans | -114.9 | 127.4 | 172.3 | -72.9 | 179.4 | 0 | 0 | 0 | 109.5 | S463 V467 | S463-L465 PolarHBondContact O-N 3.09Å; L465-V467 PolarHBondContact O-N 2.96Å |
| 466 | A | 36.3 | Very low | 40.3 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | | | trans | -62.9 | 122.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R468 | A466-R468 PolarHBondContact O-N 3.22Š|
| 467 | V | 34.9 | Very low | 39.6 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 89% | 0.885 | 73% | 0.729 | S | S | * | * | | | trans | -73.7 | 74.7 | 168.3 | -174 | 0 | 0 | 0 | 0 | 109.3 | L465 | L465-V467 PolarHBondContact O-N 2.96Š|
| 468 | R | 35.4 | Very low | 39 | Very low | 227 Ų | 227 | 140.2 Ų | 140.2 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | | | trans | -87.2 | 125.5 | 162.9 | -97.4 | -171.9 | 167.9 | -167.7 | -4 | 108.9 | A466 I470 | A466-R468 PolarHBondContact O-N 3.22Å; R468-I470 PolarHBondContact O-N 2.98Å |
| 469 | R | 33.2 | Very low | 38.7 | Very low | 248 Ų | 248 | 144.4 Ų | 144.4 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | | | trans | -58.4 | 132.6 | 174.5 | -61.5 | 175.5 | 179.9 | 170.7 | -1.9 | 109.8 | | |
| 470 | I | 38 | Very low | 38.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -126.5 | 131.9 | 164.1 | -62.1 | -178.7 | 0 | 0 | 0 | 105.9 | R468 | R468-I470 PolarHBondContact O-N 2.98Š|
| 471 | P | 33.3 | Very low | 37.4 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -72.7 | 165.7 | -174.6 | 30.5 | -36 | 0 | 0 | 0 | 112.6 | | |
| 472 | A | 34.9 | Very low | 36.6 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -69.7 | 142 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 473 | G | 31.5 | Very low | 35.9 | Very low | 67 Ų | 67 | 147 Ų | 147 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | 125.7 | 73.1 | 169 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 474 | H | 38.9 | Very low | 36 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -171.6 | 142.1 | 136.1 | -106.1 | -68 | 0 | 0 | 0 | 112.6 | F476 | H474-F476 PolarHBondContact O-N 2.85Š|
| 475 | D | 34.6 | Very low | 36.5 | Very low | 133 Ų | 133 | 150 Ų | 150 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | trans | -3.3 | 84.5 | 167.3 | -55.8 | -77.3 | 0 | 0 | 0 | 119.6 | S477 | D475-S477 PolarHBondContact O-N 3.07Š|
| 476 | F | 35.3 | Very low | 36.7 | Very low | 189 Ų | 189 | 147 Ų | 147 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 28.5 | 179.6 | -132.8 | -89.6 | 0 | 0 | 0 | 115.2 | H474 | H474-F476 PolarHBondContact O-N 2.85Š|
| 477 | S | 36.8 | Very low | 37 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 10.3 | -163.3 | -154.6 | 0 | 0 | 0 | 0 | 115.9 | D475 | D475-S477 PolarHBondContact O-N 3.07Š|
| 478 | R | 40.7 | Very low | 37.1 | Very low | 243 Ų | 243 | 152.1 Ų | 152.1 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -132 | 5.5 | -176.9 | -82.3 | -168.7 | 173.2 | -166.5 | -1.1 | 118 | | |
| 479 | Q | 40.2 | Very low | 37.6 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -116.2 | -10.2 | -179.8 | -73 | -171 | -8.8 | 0 | 0 | 116.2 | G481 | Q479-G481 PolarHBondContact O-N 2.93Š|
| 480 | I | 38.2 | Very low | 38.1 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 52.2 | -179.4 | -41.9 | -177.8 | 0 | 0 | 0 | 111 | | |
| 481 | G | 35.6 | Very low | 38.4 | Very low | 55 Ų | 55 | 142.2 Ų | 142.2 | 57% | 0.567 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | -9.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q479 | Q479-G481 PolarHBondContact O-N 2.93Š|
| 482 | L | 35.7 | Very low | 38.7 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | | | trans | -130.6 | 40 | -171.1 | -74.1 | 172.4 | 0 | 0 | 0 | 114 | | |
| 483 | L | 32.3 | Very low | 39.2 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | | | trans | -114.8 | 38.3 | 167.5 | -154.8 | 70.9 | 0 | 0 | 0 | 112.1 | H485 | L483-H485 PolarHBondContact O-N 3.3Š|
| 484 | T | 40.2 | Very low | 40 | Very low | 110 Ų | 110 | 148 Ų | 148 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | | | trans | -77.2 | 104.9 | -178 | 33.6 | 0 | 0 | 0 | 0 | 112.5 | S486 | T484-S486 VanDerWaalsContact C-N 3.3Å; T484-S486 PolarHBondContact O-N 3.02Å |
| 485 | H | 42.3 | Very low | 39.9 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 73% | 0.731 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 58.6 | -50.6 | 155.2 | -124.9 | -100.3 | 0 | 0 | 0 | 120.1 | L483 K487 | L483-H485 PolarHBondContact O-N 3.3Å; H485-K487 PolarHBondContact O-N 3.1Å |
| 486 | S | 41.5 | Very low | 40.1 | Very low | 85 Ų | 85 | 151 Ų | 151 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -70.5 | -28.3 | -160.8 | -178 | 0 | 0 | 0 | 0 | 115.6 | T484 | T484-S486 VanDerWaalsContact C-N 3.3Å; T484-S486 PolarHBondContact O-N 3.02Å |
| 487 | K | 43.4 | Very low | 40.8 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -84.8 | -4.8 | -175.4 | -85.4 | -178.3 | 176.4 | 172.3 | 0 | 115.6 | H485 | H485-K487 PolarHBondContact O-N 3.1Å |
| 488 | F | 37.5 | Very low | 40.7 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -94 | -44.5 | -178.1 | -160.5 | -101.9 | 0 | 0 | 0 | 113.2 | N490 R491 M492 | F488-N490 VanDerWaalsContact C-N 3.31Å; F488-N490 PolarHBondContact O-N 2.95Å; F488-R491 PolarHBondContact O-N 2.99Å; F488-M492 HydrophobicContact CE1-CG 4.32Å |
| 489 | E | 46 | Very low | 40.6 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 46% | 0.463 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -56.7 | -42.2 | -179.5 | -72.7 | -167.4 | 78.2 | 0 | 0 | 113.3 | R491 M492 R493 | E489-R491 PolarHBondContact O-N 3.41Å; E489-R491 VanDerWaalsContact O-N 3.08Å; E489-M492 PolarHBondContact O-N 3.39Å; E489-R493 PolarHBondContact O-N 3.41Å; E489-R493 IonicContact OE1-NH2 3.22Å; E489-R493 PolarHBondContact OE1-NH2 3.42Å |
| 490 | N | 43.1 | Very low | 40.3 | Very low | 115 Ų | 115 | 153 Ų | 153 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -67.8 | -4.9 | 179.8 | -80.6 | -39.9 | 0 | 0 | 0 | 114.5 | F488 | F488-N490 VanDerWaalsContact C-N 3.31Å; F488-N490 PolarHBondContact O-N 2.95Å |
| 491 | R | 43.6 | Very low | 40.5 | Very low | 205 Ų | 205 | 153 Ų | 153 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -99.8 | -14.6 | 169.3 | -83.2 | -171.4 | 168.8 | -164 | -2.6 | 114.5 | F488 E489 T494 | F488-R491 PolarHBondContact O-N 2.99Å; E489-R491 PolarHBondContact O-N 3.41Å; E489-R491 VanDerWaalsContact O-N 3.08Å; R491-T494 PolarHBondContact O-OG1 3.01Å |
| 492 | M | 41.3 | Very low | 40.7 | Very low | 118 Ų | 118 | 158.1 Ų | 158.1 | 58% | 0.581 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -86.7 | -29.2 | 176.7 | -70.4 | -71.3 | -77.9 | 0 | 0 | 112.3 | F488 E489 T494 | F488-M492 HydrophobicContact CE1-CG 4.32Å; E489-M492 PolarHBondContact O-N 3.39Å; M492-T494 PolarHBondContact O-N 3.36Å |
| 493 | R | 45.6 | Very low | 41 | Very low | 189 Ų | 189 | 157.8 Ų | 157.8 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -4.4 | -177.4 | -62.9 | -174.6 | -172.7 | -168 | 4.5 | 115.3 | E489 | E489-R493 PolarHBondContact O-N 3.41Å; E489-R493 IonicContact OE1-NH2 3.22Å; E489-R493 PolarHBondContact OE1-NH2 3.42Å |
| 494 | T | 46.2 | Very low | 41.5 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 2.2 | -178.5 | 38 | 0 | 0 | 0 | 0 | 114.7 | R491 M492 R496 | R491-T494 PolarHBondContact O-OG1 3.01Å; M492-T494 PolarHBondContact O-N 3.36Å; T494-R496 PolarHBondContact O-N 3.07Å |
| 495 | L | 37.2 | Very low | 41.6 | Very low | 137 Ų | 137 | 160.3 Ų | 160.3 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | -93.9 | 74.2 | 175.1 | -64.7 | 176.3 | 0 | 0 | 0 | 111.5 | | |
| 496 | R | 40.3 | Very low | 41.5 | Very low | 231 Ų | 231 | 160.5 Ų | 160.5 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 129.9 | 163.2 | -81.8 | -166.2 | -179.2 | -165.5 | 1.9 | 109.6 | T494 Q498 | T494-R496 PolarHBondContact O-N 3.07Å; R496-Q498 PolarHBondContact O-N 3.37Å |
| 497 | P | 50 | Low | 41.5 | Very low | 120 Ų | 120 | 165.9 Ų | 165.9 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 131.9 | 156 | -15.2 | 30.4 | 0 | 0 | 0 | 109.4 | | |
| 498 | Q | 34.5 | Very low | 41.4 | Very low | 170 Ų | 170 | 164.1 Ų | 164.1 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 166.7 | 144.9 | -67.5 | 178 | -20.4 | 0 | 0 | 107.2 | R496 | R496-Q498 PolarHBondContact O-N 3.37Š|
| 499 | Y | 38.3 | Very low | 41.7 | Very low | 224 Ų | 224 | 164.4 Ų | 164.4 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | | | trans | 73.4 | 70.5 | -171.3 | -51.8 | -81.1 | 0 | 0 | 0 | 116 | | |
| 500 | L | 34.4 | Very low | 41.3 | Very low | 252 Ų | 252 | 170.4 Ų | 170.4 | 100% | 1.319 | 79% | 0.794 | S | S | * | * | | | | -165.2 | 0 | 114.1 | -103.3 | 160.9 | 0 | 0 | 0 | 110.2 | | |