| 1 | M | 39.8 | Very low | 45.7 | Very low | 250 Ų | 250 | 135.1 Ų | 135.1 | 100% | 1.232 | 87% | 0.866 | S | S | * | * | | | | 0 | 126.9 | 0 | -75.7 | -87.3 | 177.4 | 0 | 0 | 107.1 | | |
| 2 | A | 45.1 | Very low | 46.2 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 79% | 0.785 | 85% | 0.851 | S | S | * | * | | | trans | -84.6 | 170.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 3 | S | 44.2 | Very low | 47.1 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | | | trans | 101.9 | 121.6 | 152.3 | -56.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 4 | G | 45.8 | Very low | 47.4 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | | | trans | 168.2 | 52 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G6 | G4-G6 PolarHBondContact O-N 3.18Š|
| 5 | A | 46.8 | Very low | 47.7 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 93% | 0.934 | 84% | 0.839 | S | S | * | * | | | trans | -64.4 | 109.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 6 | G | 45.2 | Very low | 47.9 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | | | trans | -117.7 | 93.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | G4 S8 | G4-G6 PolarHBondContact O-N 3.18Å; G6-S8 PolarHBondContact O-N 3.27Å |
| 7 | G | 47.2 | Very low | 48.4 | Very low | 68 Ų | 68 | 129.2 Ų | 129.2 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | | | trans | -62.9 | 118.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 8 | S | 49.5 | Very low | 48.8 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | -96.8 | 94.8 | 157.6 | 172.6 | 0 | 0 | 0 | 0 | 107 | G6 | G6-S8 PolarHBondContact O-N 3.27Š|
| 9 | W | 46.4 | Very low | 49.1 | Very low | 249 Ų | 249 | 127.7 Ų | 127.7 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | | | trans | -65.2 | 137 | 164.6 | -69.9 | 81.1 | 0 | 0 | 0 | 109 | | |
| 10 | G | 49.6 | Very low | 49.2 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | 102.7 | 50.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 11 | R | 42.9 | Very low | 49.4 | Very low | 242 Ų | 242 | 126.4 Ų | 126.4 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | | | trans | -98.3 | 96.4 | 146.8 | -134.3 | 175.6 | -164.3 | -104.7 | 2.6 | 107.3 | | |
| 12 | S | 52.5 | Low | 49.9 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 134.5 | 166.8 | -44.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 13 | P | 56.9 | Low | 50.4 | Low | 108 Ų | 108 | 125.3 Ų | 125.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 143.9 | 169.5 | 24.2 | -30.7 | 0 | 0 | 0 | 107.9 | Q15 | P13-Q15 PolarHBondContact O-N 2.96Š|
| 14 | P | 51.3 | Low | 51.2 | Low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 120.4 | 173.7 | 23.3 | -30.7 | 0 | 0 | 0 | 106.3 | S16 | P14-S16 PolarHBondContact O-N 2.89Š|
| 15 | Q | 52.5 | Low | 51.9 | Low | 187 Ų | 187 | 125.5 Ų | 125.5 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | -48.4 | 113.8 | -179 | -68.2 | 178.3 | 9.4 | 0 | 0 | 106.6 | P13 A17 | P13-Q15 PolarHBondContact O-N 2.96Å; Q15-A17 PolarHBondContact O-N 2.87Å |
| 16 | S | 50.1 | Low | 52.4 | Low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | -48.4 | 109.1 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | P14 V18 | P14-S16 PolarHBondContact O-N 2.89Å; S16-V18 VanDerWaalsContact C-N 3.3Å; S16-V18 PolarHBondContact O-N 2.83Å |
| 17 | A | 58 | Low | 53.1 | Low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | -57.1 | 105.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105 | Q15 P19 | Q15-A17 PolarHBondContact O-N 2.87Å; A17-P19 VanDerWaalsContact O-CD 3.29Å; A17-P19 WeakPolarHBondContact O-CD 3.38Å |
| 18 | V | 54.5 | Low | 53.4 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -53.5 | 118.4 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 104.5 | S16 T20 | S16-V18 VanDerWaalsContact C-N 3.3Å; S16-V18 PolarHBondContact O-N 2.83Å; V18-T20 PolarHBondContact O-N 2.87Å |
| 19 | P | 55.6 | Low | 53.4 | Low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | | | trans | -61.2 | 110.4 | 172.1 | 23.9 | -29.2 | 0 | 0 | 0 | 105.1 | A17 P21 | A17-P19 VanDerWaalsContact O-CD 3.29Å; A17-P19 WeakPolarHBondContact O-CD 3.38Å; P19-P21 WeakPolarHBondContact O-CD 3.29Å; P19-P21 VanDerWaalsContact O-N 3.1Å |
| 20 | T | 51 | Low | 53.3 | Low | 117 Ų | 117 | 131.1 Ų | 131.1 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | | | trans | -49 | 122 | 166.3 | 5.5 | 0 | 0 | 0 | 0 | 105.7 | V18 W22 | V18-T20 PolarHBondContact O-N 2.87Å; T20-W22 PolarHBondContact O-N 2.91Å |
| 21 | P | 53.5 | Low | 53.2 | Low | 111 Ų | 111 | 136.7 Ų | 136.7 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | | | trans | -66.6 | 95.6 | 173.7 | 26.9 | -31.5 | 0 | 0 | 0 | 106 | P19 V23 | P19-P21 WeakPolarHBondContact O-CD 3.29Å; P19-P21 VanDerWaalsContact O-N 3.1Å; P21-V23 VanDerWaalsContact C-N 3.27Å; P21-V23 PolarHBondContact O-N 2.76Å |
| 22 | W | 49 | Very low | 53.6 | Low | 204 Ų | 204 | 127.9 Ų | 127.9 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | | | trans | -64.6 | 98 | 167.3 | 54.2 | -69.6 | 0 | 0 | 0 | 105 | T20 T24 | T20-W22 PolarHBondContact O-N 2.91Å; W22-T24 VanDerWaalsContact C-N 3.26Å; W22-T24 HydrophobicContact CE3-CG2 3.57Å; W22-T24 HydrophobicContact CH2-CG2 4.47Å; W22-T24 HydrophobicContact CZ3-CG2 3.34Å; W22-T24 PolarHBondContact O-N 2.86Å |
| 23 | V | 57.1 | Low | 53.8 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | | | trans | -68.6 | 96.2 | 167.2 | 178.5 | 0 | 0 | 0 | 0 | 105 | P21 V25 | P21-V23 VanDerWaalsContact C-N 3.27Å; P21-V23 PolarHBondContact O-N 2.76Å; V23-V25 HydrophobicContact CG1-CG2 4Å; V23-V25 PolarHBondContact O-N 2.94Å |
| 24 | T | 60 | Low | 53.8 | Low | 90 Ų | 90 | 128.9 Ų | 128.9 | 55% | 0.552 | 71% | 0.713 | S | S | * | * | | | trans | -60.8 | 95.4 | 157.8 | 23.5 | 0 | 0 | 0 | 0 | 106.9 | W22 L26 | W22-T24 VanDerWaalsContact C-N 3.26Å; W22-T24 HydrophobicContact CE3-CG2 3.57Å; W22-T24 HydrophobicContact CH2-CG2 4.47Å; W22-T24 HydrophobicContact CZ3-CG2 3.34Å; W22-T24 PolarHBondContact O-N 2.86Å; T24-L26 VanDerWaalsContact C-N 3.27Å; T24-L26 PolarHBondContact O-N 2.94Å |
| 25 | V | 59.4 | Low | 54.5 | Low | 120 Ų | 120 | 128.8 Ų | 128.8 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | | | trans | -65 | 100 | 161.2 | -179.2 | 0 | 0 | 0 | 0 | 104.9 | V23 Q27 | V23-V25 HydrophobicContact CG1-CG2 4Å; V23-V25 PolarHBondContact O-N 2.94Å; V25-Q27 PolarHBondContact O-N 2.83Å |
| 26 | L | 57.3 | Low | 55.4 | Low | 155 Ų | 155 | 124 Ų | 124 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | | | trans | -62.9 | 91.7 | 165.3 | -71.1 | 170.9 | 0 | 0 | 0 | 106 | T24 P28 | T24-L26 VanDerWaalsContact C-N 3.27Å; T24-L26 PolarHBondContact O-N 2.94Å; L26-P28 VanDerWaalsContact O-CD 3.31Å; L26-P28 WeakPolarHBondContact O-CD 3.31Å |
| 27 | Q | 61.2 | Low | 56.4 | Low | 155 Ų | 155 | 123.9 Ų | 123.9 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | | | trans | -56.9 | 120.4 | 163.3 | -112.1 | -171 | 24.1 | 0 | 0 | 105.9 | V25 L29 | V25-Q27 PolarHBondContact O-N 2.83Å; Q27-L29 PolarHBondContact O-N 2.98Å |
| 28 | P | 54.1 | Low | 56.8 | Low | 94 Ų | 94 | 124.1 Ų | 124.1 | 61% | 0.61 | 70% | 0.696 | S | S | * | * | | | trans | -60.5 | 115.4 | 173.3 | 22.9 | -29.6 | 0 | 0 | 0 | 106.9 | L26 W30 | L26-P28 VanDerWaalsContact O-CD 3.31Å; L26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-W30 PolarHBondContact O-N 3.4Å; P28-W30 PolarHBondContact O-NE1 3.08Å |
| 29 | L | 48.8 | Very low | 57.9 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 57% | 0.565 | 69% | 0.69 | S | S | * | * | | | trans | -81 | 54.8 | 178.6 | -165.6 | 75.2 | 0 | 0 | 0 | 109.8 | Q27 W31 A32 | Q27-L29 PolarHBondContact O-N 2.98Å; L29-W31 HydrophobicContact CD1-CD2 4.37Å; L29-W31 HydrophobicContact CD1-CZ2 3.65Å; L29-W31 PolarHBondContact O-N 3.5Å; L29-W31 VanDerWaalsContact O-N 3.08Å; L29-A32 HydrophobicContact CD2-CB 3.69Å; L29-A32 HydrophobicContact CG-CB 3.89Å |
| 30 | W | 43.5 | Very low | 58.6 | Low | 228 Ų | 228 | 124.9 Ų | 124.9 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -10.1 | 176.8 | 48.1 | -14.5 | 0 | 0 | 0 | 116.2 | P28 | P28-W30 PolarHBondContact O-N 3.4Å; P28-W30 PolarHBondContact O-NE1 3.08Å |
| 31 | W | 47.2 | Very low | 59.7 | Low | 188 Ų | 188 | 122.6 Ų | 122.6 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -0.4 | -175 | 61.1 | -95.1 | 0 | 0 | 0 | 115.1 | L29 V33 | L29-W31 HydrophobicContact CD1-CD2 4.37Å; L29-W31 HydrophobicContact CD1-CZ2 3.65Å; L29-W31 PolarHBondContact O-N 3.5Å; L29-W31 VanDerWaalsContact O-N 3.08Å; W31-V33 VanDerWaalsContact C-N 3.34Å; W31-V33 PolarHBondContact O-N 2.94Å |
| 32 | A | 51.6 | Low | 61 | Low | 57 Ų | 57 | 125 Ų | 125 | 47% | 0.471 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -82.1 | -3.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L29 | L29-A32 HydrophobicContact CD2-CB 3.69Å; L29-A32 HydrophobicContact CG-CB 3.89Å |
| 33 | V | 57.7 | Low | 62.7 | Low | 118 Ų | 118 | 119 Ų | 119 | 72% | 0.715 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -121.3 | 116.8 | 177.2 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | W31 | W31-V33 VanDerWaalsContact C-N 3.34Å; W31-V33 PolarHBondContact O-N 2.94Å |
| 34 | P | 55.6 | Low | 64.2 | Low | 111 Ų | 111 | 121 Ų | 121 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 129.8 | 169.9 | 24 | -29.5 | 0 | 0 | 0 | 108.4 | A36 | P34-A36 PolarHBondContact O-N 3.35Š|
| 35 | P | 66.9 | Low | 65.6 | Low | 120 Ų | 120 | 121.1 Ų | 121.1 | 78% | 0.779 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 142.8 | 179.7 | 24.5 | -32.6 | 0 | 0 | 0 | 109.6 | | |
| 36 | A | 71.9 | Confident | 66.9 | Low | 87 Ų | 87 | 117.9 Ų | 117.9 | 72% | 0.719 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 142.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P34 | P34-A36 PolarHBondContact O-N 3.35Š|
| 37 | P | 70.1 | Confident | 68.5 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 133.7 | 179.2 | 21.1 | -30.5 | 0 | 0 | 0 | 109.8 | Q39 | P37-Q39 PolarHBondContact O-N 3.15Å; P37-Q39 VanDerWaalsContact O-N 3.15Å |
| 38 | P | 67.5 | Low | 70 | Confident | 95 Ų | 95 | 112.9 Ų | 112.9 | 62% | 0.617 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 121.9 | -174.5 | 22.2 | -31.5 | 0 | 0 | 0 | 109.4 | | |
| 39 | Q | 77.6 | Confident | 71.8 | Confident | 128 Ų | 128 | 115 Ų | 115 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.7 | 176.9 | -68.8 | -69.1 | -11.5 | 0 | 0 | 107.8 | P37 G41 R42 V43 | P37-Q39 PolarHBondContact O-N 3.15Å; P37-Q39 VanDerWaalsContact O-N 3.15Å; Q39-G41 PolarHBondContact O-N 2.89Å; Q39-R42 HydrophobicContact CB-CB 4.31Å; Q39-R42 HydrophobicContact CB-CG 4.44Å; Q39-R42 PolarHBondContact O-N 3.29Å; Q39-V43 PolarHBondContact O-N 3.49Å |
| 40 | P | 69.3 | Low | 74 | Confident | 116 Ų | 116 | 115.2 Ų | 115.2 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -24.1 | -175.5 | -27.2 | 33.4 | 0 | 0 | 0 | 114.6 | | |
| 41 | G | 74.6 | Confident | 76.4 | Confident | 69 Ų | 69 | 109.9 Ų | 109.9 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -2.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116 | Q39 | Q39-G41 PolarHBondContact O-N 2.89Š|
| 42 | R | 80.6 | Confident | 78.7 | Confident | 161 Ų | 161 | 106.8 Ų | 106.8 | 61% | 0.608 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -3.6 | 179.4 | -72.5 | -167.5 | 170 | -115.8 | -2.1 | 114.5 | Q39 K44 E45 D46 | Q39-R42 HydrophobicContact CB-CB 4.31Å; Q39-R42 HydrophobicContact CB-CG 4.44Å; Q39-R42 PolarHBondContact O-N 3.29Å; R42-K44 PolarHBondContact O-N 3.08Å; R42-K44 VanDerWaalsContact O-N 3.09Å; R42-E45 VanDerWaalsContact CA-OE2 3.29Å; R42-E45 WeakPolarHBondContact CA-OE2 3.45Å; R42-E45 PolarHBondContact O-N 3.08Å; R42-D46 WeakPolarHBondContact O-CB 3.32Å; R42-D46 PolarHBondContact O-N 2.98Å |
| 43 | V | 85.4 | Confident | 80.9 | Confident | 78 Ų | 78 | 108.6 Ų | 108.6 | 47% | 0.473 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -56 | -33.4 | -176.6 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | Q39 L47 | Q39-V43 PolarHBondContact O-N 3.49Å; V43-L47 WeakPolarHBondContact O-CB 3.34Å; V43-L47 PolarHBondContact O-N 3.09Å |
| 44 | K | 86.8 | Confident | 82.7 | Confident | 160 Ų | 160 | 109.4 Ų | 109.4 | 70% | 0.696 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.9 | -46.1 | 177.9 | -178.6 | -174.3 | 170.7 | -172.8 | 0 | 111.5 | R42 L47 L48 | R42-K44 PolarHBondContact O-N 3.08Å; R42-K44 VanDerWaalsContact O-N 3.09Å; K44-L47 PolarHBondContact O-N 2.82Å; K44-L48 WeakPolarHBondContact O-CB 3.29Å; K44-L48 PolarHBondContact O-N 2.94Å |
| 45 | E | 89.4 | Confident | 84.5 | Confident | 94 Ų | 94 | 108 Ų | 108 | 44% | 0.439 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.8 | -42.6 | 177.3 | -66.1 | 67.9 | -147.2 | 0 | 0 | 110.5 | R42 L47 L48 E49 | R42-E45 VanDerWaalsContact CA-OE2 3.29Å; R42-E45 WeakPolarHBondContact CA-OE2 3.45Å; R42-E45 PolarHBondContact O-N 3.08Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.04Å; E45-L48 WeakPolarHBondContact O-CB 3.26Å; E45-L48 PolarHBondContact O-N 3.04Å; E45-E49 WeakPolarHBondContact O-CB 3.45Å; E45-E49 PolarHBondContact O-N 3.07Å |
| 46 | D | 88.1 | Confident | 85.9 | Confident | 51 Ų | 51 | 104.9 Ų | 104.9 | 27% | 0.273 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -40.7 | 176.3 | -62 | -16.4 | 0 | 0 | 0 | 110.9 | R42 E49 L50 | R42-D46 WeakPolarHBondContact O-CB 3.32Å; R42-D46 PolarHBondContact O-N 2.98Å; D46-E49 PolarHBondContact O-N 2.85Å; D46-L50 WeakPolarHBondContact O-CB 3.36Å; D46-L50 WeakPolarHBondContact O-CD1 3.32Å; D46-L50 VanDerWaalsContact O-CG 3.32Å; D46-L50 WeakPolarHBondContact O-CG 3.34Å; D46-L50 PolarHBondContact O-N 3.34Å |
| 47 | L | 91.5 | Very high | 87.1 | Confident | 98 Ų | 98 | 106.2 Ų | 106.2 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.7 | -42 | 175 | -179.3 | 62.9 | 0 | 0 | 0 | 111.7 | V43 K44 E45 E49 L50 M51 | V43-L47 WeakPolarHBondContact O-CB 3.34Å; V43-L47 PolarHBondContact O-N 3.09Å; K44-L47 PolarHBondContact O-N 2.82Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.04Å; L47-E49 VanDerWaalsContact C-N 3.33Å; L47-L50 PolarHBondContact O-N 2.82Å; L47-M51 HydrophobicContact CD1-CG 4.44Å; L47-M51 HydrophobicContact CG-SD 4.39Å; L47-M51 WeakPolarHBondContact O-CB 3.48Å; L47-M51 VanDerWaalsContact O-CG 3.27Å; L47-M51 WeakPolarHBondContact O-CG 3.43Å; L47-M51 PolarHBondContact O-N 2.85Å |
| 48 | L | 91.6 | Very high | 88.4 | Confident | 108 Ų | 108 | 106 Ų | 106 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.4 | -44 | 174.8 | -172.6 | 100 | 0 | 0 | 0 | 110.6 | K44 E45 M51 M52 | K44-L48 WeakPolarHBondContact O-CB 3.29Å; K44-L48 PolarHBondContact O-N 2.94Å; E45-L48 WeakPolarHBondContact O-CB 3.26Å; E45-L48 PolarHBondContact O-N 3.04Å; L48-M51 PolarHBondContact O-N 3.04Å; L48-M52 HydrophobicContact CD2-SD 4.16Å; L48-M52 HydrophobicContact CG-SD 4.39Å; L48-M52 WeakPolarHBondContact O-CB 3.19Å; L48-M52 VanDerWaalsContact O-CG 3.3Å; L48-M52 WeakPolarHBondContact O-CG 3.35Å; L48-M52 PolarHBondContact O-N 3.24Å |
| 49 | E | 92.1 | Very high | 89.7 | Confident | 137 Ų | 137 | 106.1 Ų | 106.1 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.1 | -44.3 | 176.6 | -173.2 | 174.8 | 171.3 | 0 | 0 | 111.2 | E45 D46 L47 M52 L53 | E45-E49 WeakPolarHBondContact O-CB 3.45Å; E45-E49 PolarHBondContact O-N 3.07Å; D46-E49 PolarHBondContact O-N 2.85Å; L47-E49 VanDerWaalsContact C-N 3.33Å; E49-M52 PolarHBondContact O-N 2.87Å; E49-L53 WeakPolarHBondContact O-CB 3.46Å; E49-L53 PolarHBondContact O-N 3.37Å |
| 50 | L | 94.8 | Very high | 90.6 | Very high | 113 Ų | 113 | 106.9 Ų | 106.9 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.7 | -44.2 | 174.1 | -81.4 | 156.3 | 0 | 0 | 0 | 112.3 | D46 L47 L53 Q54 | D46-L50 WeakPolarHBondContact O-CB 3.36Å; D46-L50 WeakPolarHBondContact O-CD1 3.32Å; D46-L50 VanDerWaalsContact O-CG 3.32Å; D46-L50 WeakPolarHBondContact O-CG 3.34Å; D46-L50 PolarHBondContact O-N 3.34Å; L47-L50 PolarHBondContact O-N 2.82Å; L50-L53 PolarHBondContact O-N 2.92Å; L50-Q54 WeakPolarHBondContact O-CB 3.27Å; L50-Q54 PolarHBondContact O-N 3.42Å |
| 51 | M | 94 | Very high | 91.9 | Very high | 116 Ų | 116 | 105.4 Ų | 105.4 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 176.4 | -74.7 | -177.5 | 72.5 | 0 | 0 | 111.3 | L47 L48 Q54 N55 | L47-M51 HydrophobicContact CD1-CG 4.44Å; L47-M51 HydrophobicContact CG-SD 4.39Å; L47-M51 WeakPolarHBondContact O-CB 3.48Å; L47-M51 VanDerWaalsContact O-CG 3.27Å; L47-M51 WeakPolarHBondContact O-CG 3.43Å; L47-M51 PolarHBondContact O-N 2.85Å; L48-M51 PolarHBondContact O-N 3.04Å; M51-Q54 PolarHBondContact O-N 2.82Å; M51-N55 VanDerWaalsContact O-CB 3.26Å; M51-N55 WeakPolarHBondContact O-CB 3.42Å; M51-N55 PolarHBondContact O-N 3.46Å |
| 52 | M | 95.7 | Very high | 92.9 | Very high | 123 Ų | 123 | 106.3 Ų | 106.3 | 61% | 0.606 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 175.4 | -76.1 | -177.1 | 59.5 | 0 | 0 | 111.7 | L48 E49 N55 A56 | L48-M52 HydrophobicContact CD2-SD 4.16Å; L48-M52 HydrophobicContact CG-SD 4.39Å; L48-M52 WeakPolarHBondContact O-CB 3.19Å; L48-M52 VanDerWaalsContact O-CG 3.3Å; L48-M52 WeakPolarHBondContact O-CG 3.35Å; L48-M52 PolarHBondContact O-N 3.24Å; E49-M52 PolarHBondContact O-N 2.87Å; M52-N55 WeakPolarHBondContact O-CB 3.39Å; M52-N55 PolarHBondContact O-N 3.43Å; M52-A56 WeakPolarHBondContact O-CB 3.26Å; M52-A56 PolarHBondContact O-N 2.92Å |
| 53 | L | 97.1 | Very high | 93.6 | Very high | 95 Ų | 95 | 103.5 Ų | 103.5 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 177.8 | -176.8 | 62.7 | 0 | 0 | 0 | 111.4 | E49 L50 N55 A56 Q57 | E49-L53 WeakPolarHBondContact O-CB 3.46Å; E49-L53 PolarHBondContact O-N 3.37Å; L50-L53 PolarHBondContact O-N 2.92Å; L53-N55 VanDerWaalsContact C-N 3.27Å; L53-N55 PolarHBondContact O-N 2.91Å; L53-A56 PolarHBondContact O-N 2.74Å; L53-Q57 WeakPolarHBondContact O-CB 3.42Å; L53-Q57 VanDerWaalsContact O-CG 3.26Å; L53-Q57 WeakPolarHBondContact O-CG 3.3Å; L53-Q57 PolarHBondContact O-N 3.46Å |
| 54 | Q | 95.9 | Very high | 94 | Very high | 136 Ų | 136 | 102.6 Ų | 102.6 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.9 | -42.6 | 173.7 | -177 | -173.1 | 50.1 | 0 | 0 | 111.1 | L50 M51 Q57 M58 | L50-Q54 WeakPolarHBondContact O-CB 3.27Å; L50-Q54 PolarHBondContact O-N 3.42Å; M51-Q54 PolarHBondContact O-N 2.82Å; Q54-Q57 PolarHBondContact O-N 3.14Å; Q54-M58 WeakPolarHBondContact O-CB 3.46Å; Q54-M58 PolarHBondContact O-N 3.41Å |
| 55 | N | 94.2 | Very high | 94.3 | Very high | 80 Ų | 80 | 102.9 Ų | 102.9 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 178.9 | -162.6 | -2.3 | 0 | 0 | 0 | 111.4 | M51 M52 L53 M58 H59 | M51-N55 VanDerWaalsContact O-CB 3.26Å; M51-N55 WeakPolarHBondContact O-CB 3.42Å; M51-N55 PolarHBondContact O-N 3.46Å; M52-N55 WeakPolarHBondContact O-CB 3.39Å; M52-N55 PolarHBondContact O-N 3.43Å; L53-N55 VanDerWaalsContact C-N 3.27Å; L53-N55 PolarHBondContact O-N 2.91Å; N55-M58 PolarHBondContact O-N 2.84Å; N55-H59 PolarHBondContact O-N 3.36Å; N55-H59 PolarHBondContact O-ND1 3.33Å; N55-H59 PolarHBondContact OD1-CE1 2.86Å; N55-H59 PolarHBondContact OD1-ND1 3.48Å |
| 56 | A | 95.3 | Very high | 94.5 | Very high | 56 Ų | 56 | 104.2 Ų | 104.2 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M52 L53 M58 H59 Q60 | M52-A56 WeakPolarHBondContact O-CB 3.26Å; M52-A56 PolarHBondContact O-N 2.92Å; L53-A56 PolarHBondContact O-N 2.74Å; A56-M58 PolarHBondContact O-N 2.86Å; A56-H59 PolarHBondContact O-N 3.14Å; A56-Q60 WeakPolarHBondContact O-CB 3.39Å; A56-Q60 PolarHBondContact O-N 2.93Å |
| 57 | Q | 97.1 | Very high | 94.7 | Very high | 115 Ų | 115 | 105.7 Ų | 105.7 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 178.1 | -76.1 | 175.9 | -16.9 | 0 | 0 | 112.1 | L53 Q54 Q60 L61 | L53-Q57 WeakPolarHBondContact O-CB 3.42Å; L53-Q57 VanDerWaalsContact O-CG 3.26Å; L53-Q57 WeakPolarHBondContact O-CG 3.3Å; L53-Q57 PolarHBondContact O-N 3.46Å; Q54-Q57 PolarHBondContact O-N 3.14Å; Q57-Q60 PolarHBondContact O-N 2.95Å; Q57-L61 PolarHBondContact O-N 2.86Å |
| 58 | M | 97.7 | Very high | 94.5 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 48% | 0.478 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 175.9 | 176.7 | -177.4 | 52 | 0 | 0 | 111.2 | Q54 N55 A56 Q60 L61 L62 | Q54-M58 WeakPolarHBondContact O-CB 3.46Å; Q54-M58 PolarHBondContact O-N 3.41Å; N55-M58 PolarHBondContact O-N 2.84Å; A56-M58 PolarHBondContact O-N 2.86Å; M58-Q60 VanDerWaalsContact C-N 3.29Å; M58-Q60 PolarHBondContact O-N 3.29Å; M58-L61 PolarHBondContact O-N 3.4Å; M58-L61 VanDerWaalsContact O-N 3.14Å; M58-L62 HydrophobicContact CG-CD1 4.1Å; M58-L62 HydrophobicContact CG-CG 4.47Å; M58-L62 WeakPolarHBondContact O-CG 3.48Å; M58-L62 PolarHBondContact O-N 2.92Å |
| 59 | H | 95.9 | Very high | 94.1 | Very high | 98 Ų | 98 | 100.7 Ų | 100.7 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 177.2 | -78.2 | 85.5 | 0 | 0 | 0 | 111.5 | N55 A56 L61 L62 L63 | N55-H59 PolarHBondContact O-N 3.36Å; N55-H59 PolarHBondContact O-ND1 3.33Å; N55-H59 PolarHBondContact OD1-CE1 2.86Å; N55-H59 PolarHBondContact OD1-ND1 3.48Å; A56-H59 PolarHBondContact O-N 3.14Å; H59-L61 VanDerWaalsContact C-N 3.34Å; H59-L61 PolarHBondContact O-N 3.26Å; H59-L62 PolarHBondContact O-N 2.88Å; H59-L63 WeakPolarHBondContact O-CB 3.41Å; H59-L63 VanDerWaalsContact O-CG 3.22Å; H59-L63 WeakPolarHBondContact O-CG 3.38Å; H59-L63 PolarHBondContact O-N 3.34Å |
| 60 | Q | 96.6 | Very high | 93.6 | Very high | 143 Ų | 143 | 98.2 Ų | 98.2 | 67% | 0.668 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 175.1 | -173.4 | 177.8 | -9.5 | 0 | 0 | 112 | A56 Q57 M58 S64 | A56-Q60 WeakPolarHBondContact O-CB 3.39Å; A56-Q60 PolarHBondContact O-N 2.93Å; Q57-Q60 PolarHBondContact O-N 2.95Å; M58-Q60 VanDerWaalsContact C-N 3.29Å; M58-Q60 PolarHBondContact O-N 3.29Å; Q60-S64 WeakPolarHBondContact O-CB 3.25Å; Q60-S64 PolarHBondContact O-N 3.31Å; Q60-S64 PolarHBondContact O-OG 2.97Å |
| 61 | L | 96.3 | Very high | 92.9 | Very high | 85 Ų | 85 | 99.3 Ų | 99.3 | 45% | 0.445 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 176 | -178 | 64.9 | 0 | 0 | 0 | 112 | Q57 M58 H59 S64 R65 | Q57-L61 PolarHBondContact O-N 2.86Å; M58-L61 PolarHBondContact O-N 3.4Å; M58-L61 VanDerWaalsContact O-N 3.14Å; H59-L61 VanDerWaalsContact C-N 3.34Å; H59-L61 PolarHBondContact O-N 3.26Å; L61-S64 WeakPolarHBondContact CA-OG 3.28Å; L61-S64 PolarHBondContact O-OG 3.19Å; L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 VanDerWaalsContact O-CG 3.29Å; L61-R65 WeakPolarHBondContact O-CG 3.22Å; L61-R65 PolarHBondContact O-N 2.83Å |
| 62 | L | 95.3 | Very high | 91.4 | Very high | 89 Ų | 89 | 99.7 Ų | 99.7 | 47% | 0.466 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 178.5 | -69.6 | 172.8 | 0 | 0 | 0 | 111 | M58 H59 R65 L66 | M58-L62 HydrophobicContact CG-CD1 4.1Å; M58-L62 HydrophobicContact CG-CG 4.47Å; M58-L62 WeakPolarHBondContact O-CG 3.48Å; M58-L62 PolarHBondContact O-N 2.92Å; H59-L62 PolarHBondContact O-N 2.88Å; L62-R65 PolarHBondContact O-N 3.05Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 3.06Å |
| 63 | L | 95.9 | Very high | 89.6 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 53% | 0.534 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 179.1 | -67.9 | 173.3 | 0 | 0 | 0 | 111.8 | H59 R65 L66 V67 | H59-L63 WeakPolarHBondContact O-CB 3.41Å; H59-L63 VanDerWaalsContact O-CG 3.22Å; H59-L63 WeakPolarHBondContact O-CG 3.38Å; H59-L63 PolarHBondContact O-N 3.34Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 3.29Å; L63-L66 HydrophobicContact CD2-CD1 4.4Å; L63-L66 PolarHBondContact O-N 3.47Å; L63-V67 WeakPolarHBondContact O-CB 2.99Å; L63-V67 VanDerWaalsContact O-CG2 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.17Å; L63-V67 PolarHBondContact O-N 2.83Å |
| 64 | S | 93.3 | Very high | 87.5 | Confident | 59 Ų | 59 | 106 Ų | 106 | 41% | 0.413 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.5 | -36.3 | 175.6 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | Q60 L61 A68 | Q60-S64 WeakPolarHBondContact O-CB 3.25Å; Q60-S64 PolarHBondContact O-N 3.31Å; Q60-S64 PolarHBondContact O-OG 2.97Å; L61-S64 WeakPolarHBondContact CA-OG 3.28Å; L61-S64 PolarHBondContact O-OG 3.19Å; S64-A68 WeakPolarHBondContact O-CB 3.33Å; S64-A68 PolarHBondContact O-N 2.92Å |
| 65 | R | 93 | Very high | 85.2 | Confident | 166 Ų | 166 | 104 Ų | 104 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.3 | -40.7 | 173 | -74.7 | 175.5 | 177 | -169.5 | -0.2 | 112.6 | L61 L62 L63 A68 G69 | L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 VanDerWaalsContact O-CG 3.29Å; L61-R65 WeakPolarHBondContact O-CG 3.22Å; L61-R65 PolarHBondContact O-N 2.83Å; L62-R65 PolarHBondContact O-N 3.05Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 3.29Å; R65-A68 PolarHBondContact O-N 2.94Å; R65-G69 PolarHBondContact O-N 3.29Å |
| 66 | L | 93.3 | Very high | 82.8 | Confident | 121 Ų | 121 | 104.6 Ų | 104.6 | 63% | 0.634 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64 | -46.1 | 175.8 | -71.1 | 171.4 | 0 | 0 | 0 | 111.3 | L62 L63 G69 A70 | L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 3.06Å; L63-L66 HydrophobicContact CD2-CD1 4.4Å; L63-L66 PolarHBondContact O-N 3.47Å; L66-G69 PolarHBondContact O-N 3.08Å; L66-A70 WeakPolarHBondContact O-CB 3.29Å; L66-A70 PolarHBondContact O-N 3.24Å |
| 67 | V | 92.6 | Very high | 80.2 | Confident | 83 Ų | 83 | 106 Ų | 106 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.9 | -45.6 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L63 G69 A70 L71 | L63-V67 WeakPolarHBondContact O-CB 2.99Å; L63-V67 VanDerWaalsContact O-CG2 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.17Å; L63-V67 PolarHBondContact O-N 2.83Å; V67-G69 VanDerWaalsContact C-N 3.31Å; V67-G69 PolarHBondContact O-N 2.9Å; V67-A70 PolarHBondContact O-N 3.5Å; V67-L71 HydrophobicContact CG1-CD1 3.62Å; V67-L71 HydrophobicContact CG1-CG 4.19Å; V67-L71 WeakPolarHBondContact O-CB 3.47Å; V67-L71 VanDerWaalsContact O-CG 3.25Å; V67-L71 WeakPolarHBondContact O-CG 3.39Å; V67-L71 PolarHBondContact O-N 2.93Å |
| 68 | A | 87.3 | Confident | 77.6 | Confident | 48 Ų | 48 | 109 Ų | 109 | 40% | 0.397 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.4 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S64 R65 A70 L71 Q72 | S64-A68 WeakPolarHBondContact O-CB 3.33Å; S64-A68 PolarHBondContact O-N 2.92Å; R65-A68 PolarHBondContact O-N 2.94Å; A68-A70 PolarHBondContact O-N 2.81Å; A68-L71 PolarHBondContact O-N 3.38Å; A68-Q72 WeakPolarHBondContact O-CB 3.2Å; A68-Q72 WeakPolarHBondContact O-CG 3.34Å; A68-Q72 PolarHBondContact O-N 3.45Å |
| 69 | G | 83.1 | Confident | 74.7 | Confident | 53 Ų | 53 | 107.9 Ų | 107.9 | 55% | 0.546 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66 | -33.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R65 L66 V67 | R65-G69 PolarHBondContact O-N 3.29Å; L66-G69 PolarHBondContact O-N 3.08Å; V67-G69 VanDerWaalsContact C-N 3.31Å; V67-G69 PolarHBondContact O-N 2.9Å |
| 70 | A | 81.6 | Confident | 72.1 | Confident | 85 Ų | 85 | 107.9 Ų | 107.9 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.4 | -31.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L66 V67 A68 | L66-A70 WeakPolarHBondContact O-CB 3.29Å; L66-A70 PolarHBondContact O-N 3.24Å; V67-A70 PolarHBondContact O-N 3.5Å; A68-A70 PolarHBondContact O-N 2.81Å |
| 71 | L | 79.3 | Confident | 69.8 | Low | 135 Ų | 135 | 109.5 Ų | 109.5 | 71% | 0.707 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -88.2 | -15.2 | -179.8 | -66 | 178.3 | 0 | 0 | 0 | 113.5 | V67 A68 P73 | V67-L71 HydrophobicContact CG1-CD1 3.62Å; V67-L71 HydrophobicContact CG1-CG 4.19Å; V67-L71 WeakPolarHBondContact O-CB 3.47Å; V67-L71 VanDerWaalsContact O-CG 3.25Å; V67-L71 WeakPolarHBondContact O-CG 3.39Å; V67-L71 PolarHBondContact O-N 2.93Å; A68-L71 PolarHBondContact O-N 3.38Å; L71-P73 VanDerWaalsContact O-CD 3.27Å; L71-P73 WeakPolarHBondContact O-CD 3.11Å |
| 72 | Q | 64 | Low | 67 | Low | 124 Ų | 124 | 111.9 Ų | 111.9 | 58% | 0.579 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -80 | 113.2 | 168.6 | -66.4 | -110.7 | -30.5 | 0 | 0 | 107.9 | A68 R74 | A68-Q72 WeakPolarHBondContact O-CB 3.2Å; A68-Q72 WeakPolarHBondContact O-CG 3.34Å; A68-Q72 PolarHBondContact O-N 3.45Å; Q72-R74 PolarHBondContact O-N 3.38Å |
| 73 | P | 56.2 | Low | 64.4 | Low | 118 Ų | 118 | 116.2 Ų | 116.2 | 77% | 0.766 | 65% | 0.645 | S | S | * | * | | | trans | -57.9 | 118.8 | 158.1 | 3 | 7.8 | 0 | 0 | 0 | 105.7 | L71 P75 | L71-P73 VanDerWaalsContact O-CD 3.27Å; L71-P73 WeakPolarHBondContact O-CD 3.11Å; P73-P75 VanDerWaalsContact O-CD 3.29Å; P73-P75 WeakPolarHBondContact O-CD 3.5Å |
| 74 | R | 53.6 | Low | 62 | Low | 233 Ų | 233 | 118.9 Ų | 118.9 | 88% | 0.879 | 66% | 0.659 | S | S | * | * | | | trans | -39.4 | 113.8 | 177 | -177.3 | 172 | -176.8 | 117 | -4.7 | 108.3 | Q72 A76 | Q72-R74 PolarHBondContact O-N 3.38Å; R74-A76 PolarHBondContact O-N 3.46Å; R74-A76 VanDerWaalsContact O-N 3.07Å |
| 75 | P | 48.2 | Very low | 59.6 | Low | 93 Ų | 93 | 122.6 Ų | 122.6 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | | | trans | -55.6 | 124 | 168.7 | -19 | 29.8 | 0 | 0 | 0 | 105.6 | P73 S77 | P73-P75 VanDerWaalsContact O-CD 3.29Å; P73-P75 WeakPolarHBondContact O-CD 3.5Å; P75-S77 PolarHBondContact O-N 2.82Å |
| 76 | A | 44.2 | Very low | 57 | Low | 93 Ų | 93 | 121.1 Ų | 121.1 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -48.1 | 115.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | R74 | R74-A76 PolarHBondContact O-N 3.46Å; R74-A76 VanDerWaalsContact O-N 3.07Å |
| 77 | S | 40.6 | Very low | 54.6 | Low | 85 Ų | 85 | 120.9 Ų | 120.9 | 59% | 0.594 | 69% | 0.685 | S | S | * | * | | | trans | 33.4 | 109.3 | 168.5 | 55.4 | 0 | 0 | 0 | 0 | 118 | P75 C79 | P75-S77 PolarHBondContact O-N 2.82Å; S77-C79 PolarHBondContact O-N 3.42Å |
| 78 | L | 41.6 | Very low | 52.5 | Low | 180 Ų | 180 | 125.6 Ų | 125.6 | 94% | 0.942 | 70% | 0.701 | S | S | * | * | | | trans | -72.2 | 64.7 | 140.9 | -69.9 | 171.1 | 0 | 0 | 0 | 108.2 | | |
| 79 | C | 37.5 | Very low | 50.2 | Low | 73 Ų | 73 | 132.6 Ų | 132.6 | 49% | 0.493 | 73% | 0.726 | S | S | . | * | | | trans | -76.7 | 126.8 | 162.7 | -164.8 | 0 | 0 | 0 | 0 | 105.7 | S77 Q81 | S77-C79 PolarHBondContact O-N 3.42Å; C79-Q81 PolarHBondContact O-N 3.26Å; C79-Q81 PolarHBondContact O-OE1 2.89Å |
| 80 | P | 40.9 | Very low | 48 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | | | trans | -57.7 | 119.5 | 164.8 | -9.8 | 23.9 | 0 | 0 | 0 | 105.9 | I82 | P80-I82 HydrophobicContact CB-CG1 4.48Å; P80-I82 PolarHBondContact O-N 2.81Å |
| 81 | Q | 48.2 | Very low | 46.4 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | | | trans | -61.1 | 80.5 | 168.4 | -99.8 | 68.2 | 46 | 0 | 0 | 108.7 | C79 Y83 | C79-Q81 PolarHBondContact O-N 3.26Å; C79-Q81 PolarHBondContact O-OE1 2.89Å; Q81-Y83 PolarHBondContact O-N 3Å |
| 82 | I | 36.5 | Very low | 44.7 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | -78.3 | 108.9 | 156.4 | -59.7 | 175.5 | 0 | 0 | 0 | 103.4 | P80 L84 | P80-I82 HydrophobicContact CB-CG1 4.48Å; P80-I82 PolarHBondContact O-N 2.81Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 2.87Å |
| 83 | Y | 41.6 | Very low | 43.8 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -56.6 | 99.1 | 169.5 | -173.2 | -89.7 | 0 | 0 | 0 | 108 | Q81 E85 | Q81-Y83 PolarHBondContact O-N 3Å; Y83-E85 HydrophobicContact CD1-CB 4.29Å; Y83-E85 HydrophobicContact CE1-CB 3.63Å; Y83-E85 VanDerWaalsContact CE1-OE2 3.28Å; Y83-E85 WeakPolarHBondContact CE1-OE2 3.27Å; Y83-E85 VanDerWaalsContact CZ-OE2 3.28Å; Y83-E85 VanDerWaalsContact OH-CD 3.25Å; Y83-E85 PolarHBondContact OH-OE2 3.25Å |
| 84 | L | 45.3 | Very low | 43.3 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -114.8 | 89.1 | 163.6 | -137 | 78.7 | 0 | 0 | 0 | 106.2 | I82 V86 | I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 2.87Å; L84-V86 PolarHBondContact O-N 2.86Å |
| 85 | E | 43 | Very low | 43 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 64% | 0.64 | 78% | 0.777 | S | S | * | * | | | trans | -69.7 | 118.5 | 160.2 | -175.2 | 166.7 | -154.6 | 0 | 0 | 106.9 | Y83 | Y83-E85 HydrophobicContact CD1-CB 4.29Å; Y83-E85 HydrophobicContact CE1-CB 3.63Å; Y83-E85 VanDerWaalsContact CE1-OE2 3.28Å; Y83-E85 WeakPolarHBondContact CE1-OE2 3.27Å; Y83-E85 VanDerWaalsContact CZ-OE2 3.28Å; Y83-E85 VanDerWaalsContact OH-CD 3.25Å; Y83-E85 PolarHBondContact OH-OE2 3.25Å |
| 86 | V | 38.8 | Very low | 43 | Very low | 135 Ų | 135 | 153 Ų | 153 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 173.3 | 145.4 | 147.1 | 148.4 | 0 | 0 | 0 | 0 | 109.8 | L84 | L84-V86 PolarHBondContact O-N 2.86Š|
| 87 | P | 43.5 | Very low | 43.3 | Very low | 115 Ų | 115 | 157 Ų | 157 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | | | trans | -86.8 | 158.6 | -136.9 | -14.1 | 31 | 0 | 0 | 0 | 118.1 | E89 | P87-E89 PolarHBondContact O-N 2.9Š|
| 88 | Q | 48.5 | Very low | 43.6 | Very low | 183 Ų | 183 | 161.4 Ų | 161.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -28.8 | 115.8 | 157.4 | -178.4 | -178.4 | 10.7 | 0 | 0 | 115.4 | | |
| 89 | E | 38.2 | Very low | 43.7 | Very low | 194 Ų | 194 | 159 Ų | 159 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | | | trans | -139.8 | 149.5 | 147.8 | -78.5 | -168.9 | 153.1 | 0 | 0 | 109.2 | P87 | P87-E89 PolarHBondContact O-N 2.9Š|
| 90 | E | 37.8 | Very low | 44.6 | Very low | 176 Ų | 176 | 161.2 Ų | 161.2 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -72.1 | 168.1 | -160.4 | -68 | -155.4 | 148.7 | 0 | 0 | 115.6 | | |
| 91 | P | 46.8 | Very low | 45.1 | Very low | 124 Ų | 124 | 164.2 Ų | 164.2 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | | | trans | -88.9 | 124.6 | -176.9 | 33.8 | -25.5 | 0 | 0 | 0 | 110.9 | | |
| 92 | E | 43.5 | Very low | 45.2 | Very low | 195 Ų | 195 | 164.5 Ų | 164.5 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | -120.7 | 136.9 | 163.4 | -70.4 | -175.3 | 171.3 | 0 | 0 | 109.6 | | |
| 93 | E | 45.4 | Very low | 46.1 | Very low | 195 Ų | 195 | 166 Ų | 166 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | | | trans | -69.4 | 134.1 | -174.1 | -57.3 | 173.7 | 165.7 | 0 | 0 | 111 | | |
| 94 | E | 45 | Very low | 47.2 | Very low | 197 Ų | 197 | 159.5 Ų | 159.5 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -148.3 | 107.5 | 153.3 | -130.7 | 169.6 | -165.7 | 0 | 0 | 110.1 | | |
| 95 | E | 48.1 | Very low | 48.1 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -80.1 | 115.9 | 161.5 | -69.8 | -174 | 155.6 | 0 | 0 | 108.8 | | |
| 96 | E | 48.4 | Very low | 49.3 | Very low | 194 Ų | 194 | 158.2 Ų | 158.2 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | | | trans | 166.2 | 139.6 | 153.5 | -103.5 | 178.4 | 161.9 | 0 | 0 | 105.4 | | |
| 97 | E | 50.3 | Low | 50.8 | Low | 177 Ų | 177 | 156.7 Ų | 156.7 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | cis | -157.9 | 144.8 | 20.1 | -177.8 | -174.7 | -174.1 | 0 | 0 | 105 | D99 | E97-D99 PolarHBondContact O-N 3.4Š|
| 98 | M | 46.7 | Very low | 52 | Low | 177 Ų | 177 | 157 Ų | 157 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | -71.7 | 92.2 | 177.5 | 179.6 | 128.5 | 54.5 | 0 | 0 | 110 | V100 | M98-V100 PolarHBondContact O-N 3.35Š|
| 99 | D | 43.9 | Very low | 52.9 | Low | 129 Ų | 129 | 155.2 Ų | 155.2 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | | | trans | -74 | 109.8 | 169.8 | -171.6 | 30.9 | 0 | 0 | 0 | 109.6 | E97 Q101 | E97-D99 PolarHBondContact O-N 3.4Å; D99-Q101 PolarHBondContact O-N 2.87Å |
| 100 | V | 55.4 | Low | 54.1 | Low | 120 Ų | 120 | 153.2 Ų | 153.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -65.5 | 88.6 | 169.2 | 174 | 0 | 0 | 0 | 0 | 106.8 | M98 E102 | M98-V100 PolarHBondContact O-N 3.35Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 2.79Å |
| 101 | Q | 52.3 | Low | 55.3 | Low | 162 Ų | 162 | 153.1 Ų | 153.1 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | trans | -64 | 100.9 | 166.7 | -76.5 | 173.8 | 74 | 0 | 0 | 107.8 | D99 I103 | D99-Q101 PolarHBondContact O-N 2.87Å; Q101-I103 PolarHBondContact O-N 3.03Å |
| 102 | E | 50.7 | Low | 55.8 | Low | 182 Ų | 182 | 157.5 Ų | 157.5 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -47.3 | 112.7 | 166.6 | -174.1 | -177.6 | 178.7 | 0 | 0 | 108.5 | V100 G104 | V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 2.79Å; E102-G104 PolarHBondContact O-N 3.43Å |
| 103 | I | 55.5 | Low | 56.5 | Low | 166 Ų | 166 | 155.3 Ų | 155.3 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | -71.3 | 84 | 177.7 | -62.5 | 152.9 | 0 | 0 | 0 | 107.2 | Q101 | Q101-I103 PolarHBondContact O-N 3.03Š|
| 104 | G | 64.1 | Low | 57 | Low | 44 Ų | 44 | 151.1 Ų | 151.1 | 45% | 0.454 | 77% | 0.765 | S | S | . | * | | | trans | -59.5 | 149.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E102 L106 | E102-G104 PolarHBondContact O-N 3.43Å; G104-L106 PolarHBondContact O-N 2.85Å |
| 105 | P | 64.2 | Low | 57.3 | Low | 121 Ų | 121 | 150.5 Ų | 150.5 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | trans | -59.4 | 108.4 | -178.6 | 22.1 | -30.6 | 0 | 0 | 0 | 109.7 | V107 | P105-V107 PolarHBondContact O-N 2.91Š|
| 106 | L | 67.4 | Low | 57.7 | Low | 148 Ų | 148 | 148.4 Ų | 148.4 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | | | trans | -67.8 | 95.6 | 175.8 | -169.7 | 69.3 | 0 | 0 | 0 | 107.9 | G104 L108 | G104-L106 PolarHBondContact O-N 2.85Å; L106-L108 HydrophobicContact CD2-CD1 4.37Å; L106-L108 HydrophobicContact CG-CD1 4.47Å; L106-L108 PolarHBondContact O-N 2.98Å |
| 107 | V | 71.6 | Confident | 58 | Low | 103 Ų | 103 | 145.6 Ų | 145.6 | 62% | 0.624 | 74% | 0.738 | S | S | * | * | | | trans | -73.2 | 97.3 | 176.2 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | P105 H109 | P105-V107 PolarHBondContact O-N 2.91Å; V107-H109 PolarHBondContact O-N 3.29Å |
| 108 | L | 67.4 | Low | 58.2 | Low | 121 Ų | 121 | 142 Ų | 142 | 63% | 0.634 | 73% | 0.73 | S | S | * | * | | | trans | -70.9 | 111.9 | 171.4 | -77.4 | 106.4 | 0 | 0 | 0 | 109.7 | L106 H110 | L106-L108 HydrophobicContact CD2-CD1 4.37Å; L106-L108 HydrophobicContact CG-CD1 4.47Å; L106-L108 PolarHBondContact O-N 2.98Å; L108-H110 PolarHBondContact O-N 3.02Å |
| 109 | H | 67.5 | Low | 58.5 | Low | 145 Ų | 145 | 138.6 Ų | 138.6 | 67% | 0.671 | 72% | 0.723 | S | S | * | * | | | trans | -81.3 | 102.5 | 165.6 | -64 | -69.4 | 0 | 0 | 0 | 109 | V107 H111 | V107-H109 PolarHBondContact O-N 3.29Å; H109-H111 PolarHBondContact O-N 3.15Å |
| 110 | H | 63.9 | Low | 59.2 | Low | 152 Ų | 152 | 139 Ų | 139 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | | | trans | -68.1 | 95.2 | 173.4 | -58.8 | -64.5 | 0 | 0 | 0 | 109.8 | L108 Y112 | L108-H110 PolarHBondContact O-N 3.02Å; H110-Y112 PolarHBondContact O-N 2.98Å |
| 111 | H | 63 | Low | 59 | Low | 175 Ų | 175 | 135.9 Ų | 135.9 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | | | trans | -71.6 | 109.8 | 166.8 | -71.6 | -72.2 | 0 | 0 | 0 | 108.7 | H109 L113 | H109-H111 PolarHBondContact O-N 3.15Å; H111-L113 PolarHBondContact O-N 3.25Å |
| 112 | Y | 57.5 | Low | 58.7 | Low | 216 Ų | 216 | 134.5 Ų | 134.5 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128.7 | 170 | -69.4 | -84 | 0 | 0 | 0 | 109.4 | H110 | H110-Y112 PolarHBondContact O-N 2.98Š|
| 113 | L | 58.5 | Low | 58.7 | Low | 149 Ų | 149 | 137.8 Ų | 137.8 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 128.4 | 168.3 | -133.4 | 84.9 | 0 | 0 | 0 | 108.2 | H111 Y115 | H111-L113 PolarHBondContact O-N 3.25Å; L113-Y115 PolarHBondContact O-N 3.05Å |
| 114 | P | 55 | Low | 58.6 | Low | 106 Ų | 106 | 136.8 Ų | 136.8 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 130.4 | 169.4 | 24.7 | -30.5 | 0 | 0 | 0 | 108.5 | L116 | P114-L116 PolarHBondContact O-N 2.91Š|
| 115 | Y | 52 | Low | 57.8 | Low | 185 Ų | 185 | 140.8 Ų | 140.8 | 73% | 0.725 | 75% | 0.746 | S | S | * | * | | | trans | -53.3 | 107.3 | 178.6 | 176.2 | -107.1 | 0 | 0 | 0 | 110.3 | L113 M117 | L113-Y115 PolarHBondContact O-N 3.05Å; Y115-M117 HydrophobicContact CD1-CE 4.36Å; Y115-M117 HydrophobicContact CE1-CE 3.28Å; Y115-M117 HydrophobicContact CE1-CG 4.33Å; Y115-M117 PolarHBondContact O-N 3.21Å; Y115-M117 WeakPolarHBondContact OH-CE 3.37Å |
| 116 | L | 56.6 | Low | 56.5 | Low | 144 Ų | 144 | 145.9 Ų | 145.9 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | -72.7 | 107.4 | 172.8 | -71.8 | 168.4 | 0 | 0 | 0 | 108 | P114 | P114-L116 PolarHBondContact O-N 2.91Š|
| 117 | M | 55.2 | Low | 55.6 | Low | 135 Ų | 135 | 150 Ų | 150 | 67% | 0.665 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 131.3 | 167.4 | -99.4 | -82.9 | 106.5 | 0 | 0 | 109.8 | Y115 S119 | Y115-M117 HydrophobicContact CD1-CE 4.36Å; Y115-M117 HydrophobicContact CE1-CE 3.28Å; Y115-M117 HydrophobicContact CE1-CG 4.33Å; Y115-M117 PolarHBondContact O-N 3.21Å; Y115-M117 WeakPolarHBondContact OH-CE 3.37Å; M117-S119 PolarHBondContact O-N 2.92Å; M117-S119 VanDerWaalsContact O-N 3.14Å |
| 118 | P | 54.9 | Low | 54.3 | Low | 102 Ų | 102 | 147.5 Ų | 147.5 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 116.6 | 174.3 | -14.5 | 27.6 | 0 | 0 | 0 | 109.3 | | |
| 119 | S | 51.6 | Low | 53.5 | Low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 130.7 | 170.7 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | M117 G121 | M117-S119 PolarHBondContact O-N 2.92Å; M117-S119 VanDerWaalsContact O-N 3.14Å; S119-G121 PolarHBondContact O-N 3.4Å |
| 120 | P | 58.5 | Low | 52.5 | Low | 138 Ų | 138 | 149.2 Ų | 149.2 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | | | trans | -75.6 | 76.7 | 176.6 | 30.4 | -32 | 0 | 0 | 0 | 109.5 | | |
| 121 | G | 51.6 | Low | 51.6 | Low | 54 Ų | 54 | 150.9 Ų | 150.9 | 56% | 0.557 | 76% | 0.763 | S | S | * | * | | | trans | -143.6 | 108.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S119 | S119-G121 PolarHBondContact O-N 3.4Š|
| 122 | T | 45.5 | Very low | 51 | Low | 134 Ų | 134 | 148.3 Ų | 148.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | 78.9 | 96.9 | 168 | -40 | 0 | 0 | 0 | 0 | 116.4 | L124 | T122-L124 PolarHBondContact O-N 3.26Š|
| 123 | R | 52.3 | Low | 50.6 | Low | 251 Ų | 251 | 142 Ų | 142 | 95% | 0.947 | 75% | 0.754 | S | S | * | * | | | trans | -60.4 | 100.5 | 166.6 | -75.4 | 176.5 | 167.8 | 175.8 | -3.8 | 110.3 | | |
| 124 | L | 52.2 | Low | 50.2 | Low | 145 Ų | 145 | 140.2 Ų | 140.2 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | trans | -71.8 | 136.8 | 161.1 | -69.8 | 166.3 | 0 | 0 | 0 | 108.9 | T122 W126 | T122-L124 PolarHBondContact O-N 3.26Å; L124-W126 PolarHBondContact O-N 2.96Å |
| 125 | P | 47.9 | Very low | 49.9 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | -80.3 | 50.8 | -179.1 | 35.4 | -36 | 0 | 0 | 0 | 111 | R127 | P125-R127 PolarHBondContact O-N 2.83Š|
| 126 | W | 36.3 | Very low | 49.6 | Very low | 227 Ų | 227 | 136.5 Ų | 136.5 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | -87.5 | 93.6 | 170.9 | -163.2 | -102.1 | 0 | 0 | 0 | 108.8 | L124 A128 | L124-W126 PolarHBondContact O-N 2.96Å; W126-A128 VanDerWaalsContact C-N 3.35Å; W126-A128 PolarHBondContact O-N 3.39Å; W126-A128 VanDerWaalsContact O-N 3.08Å |
| 127 | R | 48 | Very low | 49.4 | Very low | 235 Ų | 235 | 137.2 Ų | 137.2 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | | | trans | -73.3 | 93.9 | 164.8 | -77 | -165.3 | -179.4 | 166.2 | 1.4 | 108.1 | P125 | P125-R127 PolarHBondContact O-N 2.83Š|
| 128 | A | 44.3 | Very low | 48.7 | Very low | 51 Ų | 51 | 135.9 Ų | 135.9 | 42% | 0.421 | 76% | 0.761 | S | S | . | * | | | trans | -67.4 | 140.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | W126 F130 | W126-A128 VanDerWaalsContact C-N 3.35Å; W126-A128 PolarHBondContact O-N 3.39Å; W126-A128 VanDerWaalsContact O-N 3.08Å; A128-F130 PolarHBondContact O-N 3.42Å; A128-F130 VanDerWaalsContact O-N 3.08Å |
| 129 | P | 51.9 | Low | 48.4 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | -57.3 | 116.6 | 166.3 | -19.8 | 31.5 | 0 | 0 | 0 | 108.5 | F131 | P129-F131 PolarHBondContact O-N 3.13Š|
| 130 | F | 45.6 | Very low | 48.6 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | | | trans | -63.9 | 101.8 | 176.5 | -70.2 | -91.8 | 0 | 0 | 0 | 108.8 | A128 | A128-F130 PolarHBondContact O-N 3.42Å; A128-F130 VanDerWaalsContact O-N 3.08Å |
| 131 | F | 45.4 | Very low | 48 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | | | trans | -82.6 | 120.8 | 152 | -66.1 | -78.5 | 0 | 0 | 0 | 106.4 | P129 A133 | P129-F131 PolarHBondContact O-N 3.13Å; F131-A133 PolarHBondContact O-N 3.41Å |
| 132 | P | 50.9 | Low | 47.7 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -61.5 | 114.5 | 165.8 | 24.4 | -28.7 | 0 | 0 | 0 | 107.1 | | |
| 133 | A | 48.9 | Very low | 48 | Very low | 83 Ų | 83 | 147.4 Ų | 147.4 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | trans | -56.2 | 134.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | F131 A135 | F131-A133 PolarHBondContact O-N 3.41Å; A133-A135 PolarHBondContact O-N 2.8Å; A133-A135 VanDerWaalsContact O-N 3.07Å |
| 134 | P | 49.6 | Very low | 47.7 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -54.7 | 123 | 168.5 | -18.6 | 29.7 | 0 | 0 | 0 | 107.1 | C136 | P134-C136 PolarHBondContact O-N 2.94Š|
| 135 | A | 48.4 | Very low | 47.7 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | | | trans | -66.9 | 83.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108 | A133 Q137 | A133-A135 PolarHBondContact O-N 2.8Å; A133-A135 VanDerWaalsContact O-N 3.07Å; A135-Q137 PolarHBondContact O-N 3.07Å |
| 136 | C | 45.3 | Very low | 47.8 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | trans | -67.8 | 87.8 | 165.6 | -66.9 | 0 | 0 | 0 | 0 | 106.8 | P134 P138 | P134-C136 PolarHBondContact O-N 2.94Å; C136-P138 WeakPolarHBondContact O-CD 3.29Å |
| 137 | Q | 52.9 | Low | 48.6 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | -57.5 | 121.4 | 163.8 | -93.6 | -92.2 | -28.5 | 0 | 0 | 107.9 | A135 H139 | A135-Q137 PolarHBondContact O-N 3.07Å; Q137-H139 VanDerWaalsContact C-N 3.27Å; Q137-H139 PolarHBondContact O-N 2.92Å |
| 138 | P | 40.8 | Very low | 48.6 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | -73.1 | 92.3 | 166.2 | 29 | -27.1 | 0 | 0 | 0 | 106.7 | C136 L140 | C136-P138 WeakPolarHBondContact O-CD 3.29Å; P138-L140 PolarHBondContact O-N 3.39Å |
| 139 | H | 49 | Very low | 48.9 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | -73.6 | 73.1 | 172.7 | -161.1 | 80.3 | 0 | 0 | 0 | 109.1 | Q137 R141 | Q137-H139 VanDerWaalsContact C-N 3.27Å; Q137-H139 PolarHBondContact O-N 2.92Å; H139-R141 PolarHBondContact O-N 3.07Å |
| 140 | L | 54.6 | Low | 49 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | trans | -74.7 | 81.9 | 162.3 | -88.8 | 170 | 0 | 0 | 0 | 107.7 | P138 | P138-L140 PolarHBondContact O-N 3.39Š|
| 141 | R | 46.3 | Very low | 49.4 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | trans | -144.1 | 124.9 | 157.5 | -78.3 | -150.1 | 165 | -161.7 | -5.2 | 113.4 | H139 | H139-R141 PolarHBondContact O-N 3.07Š|
| 142 | D | 46.4 | Very low | 49 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | 76 | 98.2 | 150.2 | -65.9 | -42.7 | 0 | 0 | 0 | 119.3 | | |
| 143 | V | 51.1 | Low | 48.4 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -36.4 | 123.2 | 148.7 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | R145 | V143-R145 PolarHBondContact O-N 3.44Š|
| 144 | P | 46.1 | Very low | 47.9 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -72 | 102.4 | 163 | 28.7 | -28.4 | 0 | 0 | 0 | 107.2 | I146 | P144-I146 PolarHBondContact O-N 2.67Å; P144-I146 VanDerWaalsContact O-N 3.13Å |
| 145 | R | 51.1 | Low | 47.3 | Very low | 226 Ų | 226 | 141 Ų | 141 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -55.5 | 120.8 | 164.3 | -90.9 | -170.6 | 177.6 | -166.3 | 0.4 | 107.3 | V143 Q147 | V143-R145 PolarHBondContact O-N 3.44Å; R145-Q147 PolarHBondContact O-N 3.24Å |
| 146 | I | 50.8 | Low | 47.1 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | trans | -51 | 108.6 | 172 | -61.9 | 165.6 | 0 | 0 | 0 | 107.8 | P144 H148 | P144-I146 PolarHBondContact O-N 2.67Å; P144-I146 VanDerWaalsContact O-N 3.13Å; I146-H148 PolarHBondContact O-N 2.99Å |
| 147 | Q | 54.2 | Low | 46.9 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | -82.1 | 107.5 | 168.3 | -78.6 | -170.7 | 83.8 | 0 | 0 | 107.7 | R145 C149 | R145-Q147 PolarHBondContact O-N 3.24Å; Q147-C149 PolarHBondContact O-N 3.01Å |
| 148 | H | 46.4 | Very low | 46.5 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | | | trans | -75.6 | 112.1 | 168.4 | -70.3 | -80 | 0 | 0 | 0 | 109 | I146 | I146-H148 PolarHBondContact O-N 2.99Š|
| 149 | C | 52.2 | Low | 46.9 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 138.8 | 168.2 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | Q147 | Q147-C149 PolarHBondContact O-N 3.01Š|
| 150 | P | 52.1 | Low | 46.4 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 155.1 | 172.7 | 31.3 | -31.9 | 0 | 0 | 0 | 111.6 | | |
| 151 | P | 54.7 | Low | 45.6 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 126.3 | -176.7 | 34.8 | -28.7 | 0 | 0 | 0 | 111.5 | | |
| 152 | A | 36.9 | Very low | 45.5 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | | | trans | -177.3 | 146.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 153 | S | 38.5 | Very low | 45.6 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | cis | 179.6 | 131.2 | 2.7 | 138.1 | 0 | 0 | 0 | 0 | 105 | | |
| 154 | R | 38.1 | Very low | 45.3 | Very low | 204 Ų | 204 | 145 Ų | 145 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 67.1 | 138.2 | 145.8 | -154.7 | 175.8 | 169.7 | -156.6 | -9.2 | 115.8 | | |
| 155 | E | 37.1 | Very low | 45.3 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 50% | 0.495 | 76% | 0.761 | S | S | . | * | | | cis | -163.1 | 144.9 | 31 | -152.9 | 155.8 | -167.3 | 0 | 0 | 109.8 | | |
| 156 | R | 44.9 | Very low | 45 | Very low | 210 Ų | 210 | 144 Ų | 144 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | 33.2 | 120.1 | 147.6 | -60.7 | 168.8 | -159.8 | -137.5 | -4.8 | 119 | | |
| 157 | E | 40.8 | Very low | 44.7 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | | -159.2 | 136.4 | 102 | -167.4 | 131.2 | -153.2 | 0 | 0 | 110.8 | | |
| 158 | T | 45 | Very low | 44.3 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | | | trans | -84.1 | 121.9 | -171.1 | -20.2 | 0 | 0 | 0 | 0 | 109.4 | V160 | T158-V160 HydrophobicContact CG2-CG2 3.93Š|
| 159 | T | 49 | Very low | 44.5 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | trans | -128 | 109.4 | 146.7 | -62.5 | 0 | 0 | 0 | 0 | 107.5 | M161 | T159-M161 PolarHBondContact O-N 3.25Š|
| 160 | V | 37.6 | Very low | 44.2 | Very low | 120 Ų | 120 | 149 Ų | 149 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -74.2 | 106.5 | 177.7 | 175.2 | 0 | 0 | 0 | 0 | 108.4 | T158 | T158-V160 HydrophobicContact CG2-CG2 3.93Š|
| 161 | M | 37.8 | Very low | 44 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | | | trans | 30.1 | 145.1 | 133.7 | -69.1 | -59.8 | -93.7 | 0 | 0 | 120.1 | T159 R163 | T159-M161 PolarHBondContact O-N 3.25Å; M161-R163 HydrophobicContact CE-CB 3.95Å |
| 162 | P | 45.7 | Very low | 43.7 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | | | cis | -141.9 | 140.7 | 49.6 | 35.2 | -14.1 | 0 | 0 | 0 | 118.5 | A164 | P162-A164 PolarHBondContact O-N 2.85Š|
| 163 | R | 48.2 | Very low | 44 | Very low | 225 Ų | 225 | 156.2 Ų | 156.2 | 85% | 0.849 | 74% | 0.744 | S | S | * | * | | | trans | 13.3 | 103.4 | 130.4 | -148.1 | -177.5 | -162.2 | -164.2 | 4.1 | 115.9 | M161 | M161-R163 HydrophobicContact CE-CB 3.95Š|
| 164 | A | 43.4 | Very low | 44 | Very low | 86 Ų | 86 | 157.2 Ų | 157.2 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | -125.8 | 108.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 108 | P162 Y166 | P162-A164 PolarHBondContact O-N 2.85Å; A164-Y166 PolarHBondContact O-N 3.09Å |
| 165 | S | 46.2 | Very low | 44.6 | Very low | 91 Ų | 91 | 153.6 Ų | 153.6 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | trans | -54.4 | 109.2 | 166.2 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | E167 | S165-E167 VanDerWaalsContact C-N 3.26Å; S165-E167 PolarHBondContact O-N 3.07Å |
| 166 | Y | 46.5 | Very low | 45.3 | Very low | 232 Ų | 232 | 157 Ų | 157 | 91% | 0.91 | 75% | 0.752 | S | S | * | * | | | trans | -73.4 | 97.2 | 158.1 | -98.4 | -92.1 | 0 | 0 | 0 | 105.7 | A164 D168 | A164-Y166 PolarHBondContact O-N 3.09Å; Y166-D168 PolarHBondContact O-N 3.18Å; Y166-D168 VanDerWaalsContact O-N 3.09Å |
| 167 | E | 43.9 | Very low | 45.6 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | trans | -52.5 | 115.2 | 179.3 | -62.9 | -136.8 | 129.3 | 0 | 0 | 110.6 | S165 R169 | S165-E167 VanDerWaalsContact C-N 3.26Å; S165-E167 PolarHBondContact O-N 3.07Å; E167-R169 PolarHBondContact O-N 2.89Å |
| 168 | D | 45.8 | Very low | 45.9 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | | | | 3.9 | 75.1 | 119.4 | -159.7 | 43.9 | 0 | 0 | 0 | 113.8 | Y166 R170 | Y166-D168 PolarHBondContact O-N 3.18Å; Y166-D168 VanDerWaalsContact O-N 3.09Å; D168-R170 PolarHBondContact O-N 3.46Å; D168-R170 WeakPolarHBondContact OD1-CD 3.23Å; D168-R170 VanDerWaalsContact OD1-CG 3.23Å; D168-R170 WeakPolarHBondContact OD1-CG 3.38Å; D168-R170 IonicContact OD1-NE 3.25Å; D168-R170 PolarHBondContact OD1-NE 3.49Å; D168-R170 WeakPolarHBondContact OD2-CD 3.28Å; D168-R170 IonicContact OD2-NE 3.8Å |
| 169 | R | 50.8 | Low | 46 | Very low | 245 Ų | 245 | 152.4 Ų | 152.4 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | | | trans | -74.7 | 62.7 | 157 | -79.1 | -74.2 | -155 | -163.6 | 2.4 | 108.2 | E167 | E167-R169 PolarHBondContact O-N 2.89Š|
| 170 | R | 45.1 | Very low | 46.1 | Very low | 194 Ų | 194 | 149.3 Ų | 149.3 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | | | trans | -74 | 123.6 | 157.3 | -92.8 | 178.5 | -158.6 | -144.8 | 0.7 | 107.4 | D168 | D168-R170 PolarHBondContact O-N 3.46Å; D168-R170 WeakPolarHBondContact OD1-CD 3.23Å; D168-R170 VanDerWaalsContact OD1-CG 3.23Å; D168-R170 WeakPolarHBondContact OD1-CG 3.38Å; D168-R170 IonicContact OD1-NE 3.25Å; D168-R170 PolarHBondContact OD1-NE 3.49Å; D168-R170 WeakPolarHBondContact OD2-CD 3.28Å; D168-R170 IonicContact OD2-NE 3.8Å |
| 171 | W | 48 | Very low | 46.5 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 74% | 0.735 | 74% | 0.74 | S | S | * | * | | | trans | -29.2 | 126.1 | 164.7 | -60.9 | 87.9 | 0 | 0 | 0 | 113.3 | W173 | W171-W173 HydrophobicContact CB-CD2 4.43Å; W171-W173 HydrophobicContact CB-CZ2 4.16Å; W171-W173 HydrophobicContact CG-CZ2 4.24Å; W171-W173 PolarHBondContact O-N 2.58Å; W171-W173 VanDerWaalsContact O-N 3.08Å |
| 172 | P | 48.4 | Very low | 46.9 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | | | trans | -74 | 97 | 161.3 | 0.3 | 16.7 | 0 | 0 | 0 | 107.2 | D174 | P172-D174 PolarHBondContact O-N 3.35Š|
| 173 | W | 43.9 | Very low | 47.5 | Very low | 204 Ų | 204 | 151.5 Ų | 151.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | -75.9 | 73.1 | 154.1 | -51.7 | 115.3 | 0 | 0 | 0 | 107.3 | W171 L175 | W171-W173 HydrophobicContact CB-CD2 4.43Å; W171-W173 HydrophobicContact CB-CZ2 4.16Å; W171-W173 HydrophobicContact CG-CZ2 4.24Å; W171-W173 PolarHBondContact O-N 2.58Å; W171-W173 VanDerWaalsContact O-N 3.08Å; W173-L175 PolarHBondContact O-N 2.94Å |
| 174 | D | 38.6 | Very low | 47.6 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | | | trans | -71.8 | 83.9 | 167.6 | -79.1 | -34.7 | 0 | 0 | 0 | 108 | P172 H176 Q177 | P172-D174 PolarHBondContact O-N 3.35Å; D174-H176 PolarHBondContact O-N 3.33Å; D174-Q177 PolarHBondContact O-N 3.28Å |
| 175 | L | 50.9 | Low | 48.1 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 67% | 0.665 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 2.7 | 173 | -78 | 165.9 | 0 | 0 | 0 | 113.3 | W173 L178 | W173-L175 PolarHBondContact O-N 2.94Å; L175-L178 HydrophobicContact CD2-CD1 3.94Å |
| 176 | H | 51.8 | Low | 48.6 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -7.8 | 176.6 | -72.1 | -167.9 | 0 | 0 | 0 | 114 | D174 | D174-H176 PolarHBondContact O-N 3.33Š|
| 177 | Q | 49.4 | Very low | 49.2 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -89.6 | -4 | 175 | -76.5 | -82.8 | 99.2 | 0 | 0 | 113.8 | D174 | D174-Q177 PolarHBondContact O-N 3.28Š|
| 178 | L | 47.6 | Very low | 50.2 | Low | 139 Ų | 139 | 141 Ų | 141 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -10.6 | -178.9 | -73.3 | 170.4 | 0 | 0 | 0 | 114.4 | L175 | L175-L178 HydrophobicContact CD2-CD1 3.94Š|
| 179 | C | 47 | Very low | 50.9 | Low | 120 Ų | 120 | 141.3 Ų | 141.3 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 2 | -178.9 | -70.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 180 | A | 51.3 | Low | 51.1 | Low | 76 Ų | 76 | 133.5 Ų | 133.5 | 63% | 0.628 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -115.8 | 18.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 181 | L | 47.1 | Very low | 51.2 | Low | 150 Ų | 150 | 130.2 Ų | 130.2 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | trans | -121.5 | 42.6 | 173.3 | -119 | 92.4 | 0 | 0 | 0 | 112.2 | T183 | L181-T183 PolarHBondContact O-N 3.08Š|
| 182 | D | 45.2 | Very low | 51.3 | Low | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | | | trans | -83.9 | 39.3 | 162.6 | -168.7 | 39.5 | 0 | 0 | 0 | 111.2 | | |
| 183 | T | 58.3 | Low | 51.5 | Low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -127 | 101.1 | 169.4 | -46.3 | 0 | 0 | 0 | 0 | 106.3 | L181 P185 | L181-T183 PolarHBondContact O-N 3.08Å; T183-P185 WeakPolarHBondContact O-CD 3.42Å |
| 184 | A | 51.3 | Low | 52 | Low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 122.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | E186 | A184-E186 PolarHBondContact O-N 2.9Š|
| 185 | P | 53.3 | Low | 52.8 | Low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 128 | 164.4 | 27.1 | -29.1 | 0 | 0 | 0 | 108.2 | T183 | T183-P185 WeakPolarHBondContact O-CD 3.42Š|
| 186 | E | 57 | Low | 52.7 | Low | 161 Ų | 161 | 125.2 Ų | 125.2 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 132 | 174.6 | -154.4 | -90.6 | 145.3 | 0 | 0 | 109.6 | A184 | A184-E186 PolarHBondContact O-N 2.9Š|
| 187 | P | 58.2 | Low | 53 | Low | 90 Ų | 90 | 125.1 Ų | 125.1 | 58% | 0.584 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 137.2 | -175.3 | 27.5 | -33.3 | 0 | 0 | 0 | 110 | | |
| 188 | P | 64.5 | Low | 52.6 | Low | 112 Ų | 112 | 119.4 Ų | 119.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 146.2 | 173.2 | 26.5 | -33.4 | 0 | 0 | 0 | 109.9 | A190 | P188-A190 PolarHBondContact O-N 3.01Š|
| 189 | P | 61.1 | Low | 53 | Low | 122 Ų | 122 | 118.8 Ų | 118.8 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 132.8 | 177 | 23.3 | -32.6 | 0 | 0 | 0 | 109.5 | | |
| 190 | A | 54.3 | Low | 52.8 | Low | 81 Ų | 81 | 121 Ų | 121 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 137.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P188 L192 | P188-A190 PolarHBondContact O-N 3.01Å; A190-L192 PolarHBondContact O-N 3.25Å |
| 191 | P | 47.9 | Very low | 52.5 | Low | 124 Ų | 124 | 121 Ų | 121 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 116.5 | 170.3 | 25.8 | -30.5 | 0 | 0 | 0 | 107.4 | L193 | P191-L193 PolarHBondContact O-N 3.06Š|
| 192 | L | 49.6 | Very low | 52.6 | Low | 165 Ų | 165 | 116.8 Ų | 116.8 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | | | trans | -52.9 | 114.7 | 171.3 | -68.3 | 172.5 | 0 | 0 | 0 | 107.5 | A190 S194 | A190-L192 PolarHBondContact O-N 3.25Å; L192-S194 VanDerWaalsContact C-N 3.31Å; L192-S194 PolarHBondContact O-N 2.87Å |
| 193 | L | 53.9 | Low | 52.9 | Low | 178 Ų | 178 | 114.4 Ų | 114.4 | 93% | 0.932 | 70% | 0.698 | S | S | * | * | | | trans | -53.3 | 94 | 171.9 | -78.7 | 158 | 0 | 0 | 0 | 108.8 | P191 | P191-L193 PolarHBondContact O-N 3.06Š|
| 194 | S | 53.7 | Low | 52.5 | Low | 113 Ų | 113 | 115.8 Ų | 115.8 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | | | trans | -155 | 69.2 | 174.2 | -83.1 | 0 | 0 | 0 | 0 | 110.1 | L192 | L192-S194 VanDerWaalsContact C-N 3.31Å; L192-S194 PolarHBondContact O-N 2.87Å |
| 195 | A | 55.7 | Low | 52.3 | Low | 84 Ų | 84 | 118.2 Ų | 118.2 | 69% | 0.694 | 70% | 0.699 | S | S | * | * | | | trans | 179.1 | 126.4 | 137.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L197 | A195-L197 PolarHBondContact O-N 3.48Š|
| 196 | P | 47.7 | Very low | 51.8 | Low | 102 Ų | 102 | 117.7 Ų | 117.7 | 66% | 0.662 | 69% | 0.694 | S | S | * | * | | | trans | -69 | 118 | 164.3 | 27.5 | -29.4 | 0 | 0 | 0 | 108.8 | C198 | P196-C198 PolarHBondContact O-N 2.91Š|
| 197 | L | 59.3 | Low | 51.1 | Low | 176 Ų | 176 | 115.6 Ų | 115.6 | 92% | 0.921 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -65 | 13.4 | 175.8 | -102.4 | 151.4 | 0 | 0 | 0 | 114.6 | A195 | A195-L197 PolarHBondContact O-N 3.48Š|
| 198 | C | 41 | Very low | 50.5 | Low | 33 Ų | 33 | 117.1 Ų | 117.1 | 22% | 0.223 | 71% | 0.707 | C | S | . | * | | | trans | -150.8 | 111.1 | -167.3 | -77.5 | 0 | 0 | 0 | 0 | 110.6 | P196 W200 L201 | P196-C198 PolarHBondContact O-N 2.91Å; C198-W200 HydrophobicContact CB-CD2 4.34Å; C198-W200 HydrophobicContact CB-CG 4.27Å; C198-W200 HydrophobicContact CB-CZ2 4.33Å; C198-W200 VanDerWaalsContact CB-NE1 3.27Å; C198-W200 PolarHBondContact O-N 2.88Å; C198-W200 VanDerWaalsContact O-N 3.08Å; C198-W200 PolarHBondContact SG-NE1 3.23Å; C198-L201 HydrophobicContact CB-CB 4.4Å; C198-L201 HydrophobicContact CB-CD1 3.88Å; C198-L201 HydrophobicContact CB-CG 4.06Å; C198-L201 PolarHBondContact O-N 3.25Å |
| 199 | P | 55.5 | Low | 49.6 | Very low | 126 Ų | 126 | 118 Ų | 118 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -11.3 | 177.4 | 23.4 | -31.2 | 0 | 0 | 0 | 114 | | |
| 200 | W | 42.4 | Very low | 48.7 | Very low | 168 Ų | 168 | 117.7 Ų | 117.7 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -21 | 179.5 | 56.9 | -86.5 | 0 | 0 | 0 | 114.2 | C198 A202 | C198-W200 HydrophobicContact CB-CD2 4.34Å; C198-W200 HydrophobicContact CB-CG 4.27Å; C198-W200 HydrophobicContact CB-CZ2 4.33Å; C198-W200 VanDerWaalsContact CB-NE1 3.27Å; C198-W200 PolarHBondContact O-N 2.88Å; C198-W200 VanDerWaalsContact O-N 3.08Å; C198-W200 PolarHBondContact SG-NE1 3.23Å; W200-A202 VanDerWaalsContact C-N 3.29Å; W200-A202 PolarHBondContact O-N 3.43Å |
| 201 | L | 44.9 | Very low | 48 | Very low | 74 Ų | 74 | 118 Ų | 118 | 39% | 0.387 | 71% | 0.714 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | -15.6 | 178.5 | -75.2 | 173 | 0 | 0 | 0 | 113.2 | C198 V203 | C198-L201 HydrophobicContact CB-CB 4.4Å; C198-L201 HydrophobicContact CB-CD1 3.88Å; C198-L201 HydrophobicContact CB-CG 4.06Å; C198-L201 PolarHBondContact O-N 3.25Å; L201-V203 VanDerWaalsContact C-N 3.27Å; L201-V203 PolarHBondContact O-N 2.94Å |
| 202 | A | 49.2 | Very low | 47.6 | Very low | 62 Ų | 62 | 122.9 Ų | 122.9 | 51% | 0.512 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.7 | -24.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | W200 | W200-A202 VanDerWaalsContact C-N 3.29Å; W200-A202 PolarHBondContact O-N 3.43Å |
| 203 | V | 52.4 | Low | 47.3 | Very low | 110 Ų | 110 | 121 Ų | 121 | 67% | 0.667 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -74.4 | -29.3 | -176.3 | 179.3 | 0 | 0 | 0 | 0 | 112 | L201 | L201-V203 VanDerWaalsContact C-N 3.27Å; L201-V203 PolarHBondContact O-N 2.94Å |
| 204 | L | 49.5 | Very low | 46.5 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -84.1 | -10.2 | -176.7 | -66.8 | 173.9 | 0 | 0 | 0 | 114.2 | | |
| 205 | L | 46.5 | Very low | 45.6 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -106.4 | 12.3 | -176.3 | -73.4 | 169.4 | 0 | 0 | 0 | 114 | P207 | L205-P207 WeakPolarHBondContact O-CD 3.46Š|
| 206 | T | 43.4 | Very low | 45.3 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 63% | 0.632 | 72% | 0.719 | S | S | * | * | | | trans | -81.5 | 110.9 | 169.9 | 56.7 | 0 | 0 | 0 | 0 | 109.1 | S208 | T206-S208 PolarHBondContact O-N 3.06Å; T206-S208 VanDerWaalsContact O-N 3.15Å |
| 207 | P | 42.6 | Very low | 44.7 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | | | trans | -63.5 | 121.4 | 167.5 | 26.2 | -30.7 | 0 | 0 | 0 | 107 | L205 T209 | L205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-T209 VanDerWaalsContact C-N 3.29Å; P207-T209 PolarHBondContact O-N 2.8Å |
| 208 | S | 45.3 | Very low | 43.7 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | | | trans | -57.3 | 97 | 166.1 | -85.8 | 0 | 0 | 0 | 0 | 108 | T206 S210 | T206-S208 PolarHBondContact O-N 3.06Å; T206-S208 VanDerWaalsContact O-N 3.15Å; S208-S210 VanDerWaalsContact C-N 3.3Å; S208-S210 PolarHBondContact O-N 2.95Å |
| 209 | T | 45.5 | Very low | 43.7 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | | | trans | -71 | 96.3 | 169.9 | -157.8 | 0 | 0 | 0 | 0 | 106.7 | P207 A211 | P207-T209 VanDerWaalsContact C-N 3.29Å; P207-T209 PolarHBondContact O-N 2.8Å; T209-A211 PolarHBondContact O-N 3.24Å |
| 210 | S | 42.1 | Very low | 43 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | -66.4 | 90.3 | 167.5 | -177.7 | 0 | 0 | 0 | 0 | 107.1 | S208 R212 | S208-S210 VanDerWaalsContact C-N 3.3Å; S208-S210 PolarHBondContact O-N 2.95Å; S210-R212 PolarHBondContact O-N 2.87Å |
| 211 | A | 39.4 | Very low | 43.4 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -69.1 | 102.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | T209 | T209-A211 PolarHBondContact O-N 3.24Š|
| 212 | R | 40.8 | Very low | 43.3 | Very low | 227 Ų | 227 | 126 Ų | 126 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -64.3 | 131.4 | 167.2 | -162.2 | -177.1 | -136.1 | -176 | 3.5 | 108.7 | S210 S214 | S210-R212 PolarHBondContact O-N 2.87Å; R212-S214 PolarHBondContact O-N 2.88Å |
| 213 | P | 41.8 | Very low | 43.2 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -79 | 113.9 | 179.5 | 29.6 | -30 | 0 | 0 | 0 | 109.9 | | |
| 214 | S | 37.1 | Very low | 42.9 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 128.5 | 167.3 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | R212 | R212-S214 PolarHBondContact O-N 2.88Š|
| 215 | S | 35.7 | Very low | 42.9 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 169.7 | 173.9 | -111.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 216 | P | 49.3 | Very low | 42.4 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 155.1 | -135.8 | 38.5 | -36.5 | 0 | 0 | 0 | 114.5 | | |
| 217 | G | 34.9 | Very low | 42.4 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | trans | -173 | 130.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 218 | E | 37.3 | Very low | 42.6 | Very low | 198 Ų | 198 | 128.8 Ų | 128.8 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | | | trans | 91.9 | 81.9 | 166 | -55.1 | -150.2 | 99.2 | 0 | 0 | 119.4 | | |
| 219 | I | 43 | Very low | 42.2 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | | | trans | -27.6 | 129.2 | 146.3 | -43.8 | 144.2 | 0 | 0 | 0 | 115.4 | | |
| 220 | S | 40.1 | Very low | 42 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -179 | 155.7 | 136.6 | -114.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 221 | P | 51 | Low | 41.7 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | | -106.4 | 151.7 | -123.4 | 20.4 | -1.4 | 0 | 0 | 0 | 114.5 | | |
| 222 | C | 41.7 | Very low | 41.8 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -57.6 | 160.7 | 165.1 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 223 | P | 47.8 | Very low | 41.9 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | | | | -125.9 | 126.3 | 122 | 31.8 | -21.3 | 0 | 0 | 0 | 112.7 | | |
| 224 | T | 46.6 | Very low | 41.7 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | 18.5 | 140.6 | 144.3 | -36.2 | 0 | 0 | 0 | 0 | 121 | | |
| 225 | P | 48.4 | Very low | 42 | Very low | 103 Ų | 103 | 138 Ų | 138 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | trans | -89.2 | 150.5 | -171.5 | 36.8 | -34.2 | 0 | 0 | 0 | 113.4 | | |
| 226 | M | 36.2 | Very low | 42.4 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | | | trans | -120 | 105.9 | 160.6 | -74.8 | -88.8 | 78.2 | 0 | 0 | 109.2 | | |
| 227 | S | 43.8 | Very low | 42.4 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | | | trans | -71.7 | 155 | 152.6 | -52.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 228 | P | 46.6 | Very low | 42.8 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 66% | 0.662 | 82% | 0.821 | S | S | * | * | | | | -153.9 | 113.9 | 85.4 | 35.1 | -14 | 0 | 0 | 0 | 113.8 | | |
| 229 | W | 36.6 | Very low | 43.1 | Very low | 267 Ų | 267 | 143.4 Ų | 143.4 | 100% | 1.011 | 82% | 0.815 | S | S | * | * | | | trans | -116.7 | 101.7 | 159 | -85.6 | 50.6 | 0 | 0 | 0 | 108.7 | | |
| 230 | T | 40.9 | Very low | 43.1 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | trans | -82.7 | 133.6 | 177.9 | -51.3 | 0 | 0 | 0 | 0 | 110 | | |
| 231 | G | 36.8 | Very low | 43.2 | Very low | 68 Ų | 68 | 143.8 Ų | 143.8 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | 90.1 | 139.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 232 | R | 42.1 | Very low | 42.8 | Very low | 211 Ų | 211 | 145.5 Ų | 145.5 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | | | cis | -164.9 | 128.6 | 9.4 | -118.1 | 172.5 | 150.3 | 173.4 | -6.8 | 105.1 | | |
| 233 | I | 41.4 | Very low | 42.8 | Very low | 167 Ų | 167 | 147 Ų | 147 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -85.5 | 119.5 | 171.8 | -57.4 | 171.5 | 0 | 0 | 0 | 106.8 | | |
| 234 | Y | 38.7 | Very low | 42.5 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | | | trans | -92.5 | 109 | 164.2 | -79.3 | -86.9 | 0 | 0 | 0 | 107.9 | | |
| 235 | A | 43 | Very low | 42.2 | Very low | 89 Ų | 89 | 150.3 Ų | 150.3 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | | | trans | -96.2 | 121.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 236 | V | 44.7 | Very low | 41.6 | Very low | 137 Ų | 137 | 154.3 Ų | 154.3 | 83% | 0.83 | 83% | 0.834 | S | S | * | * | | | trans | -97.1 | 119.2 | 167.1 | 175.3 | 0 | 0 | 0 | 0 | 106.3 | | |
| 237 | V | 48.9 | Very low | 42.1 | Very low | 206 Ų | 206 | 151.8 Ų | 151.8 | 100% | 1.248 | 83% | 0.829 | S | S | * | * | | | trans | -101.3 | 0 | 160.4 | 172.4 | 0 | 0 | 0 | 0 | 106.7 | | |