| 1 | M | 61 | Low | 71.8 | Confident | 181 Ų | 181 | 124.7 Ų | 124.7 | 89% | 0.892 | 61% | 0.612 | S | S | * | * | | | | 0 | -70.3 | 0 | -160.7 | -172.5 | -65.2 | 0 | 0 | 110.7 | T3 L4 I5 | M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.16Å; M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 2.82Å; M1-I5 PolarHBondContact O-N 2.81Å |
| 2 | V | 67 | Low | 71 | Confident | 113 Ų | 113 | 126.4 Ų | 126.4 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -50.6 | -44.8 | 178.7 | -178 | 0 | 0 | 0 | 0 | 112.8 | L4 I5 T6 | V2-L4 VanDerWaalsContact C-N 3.33Å; V2-L4 PolarHBondContact O-N 3.22Å; V2-I5 WeakPolarHBondContact O-CB 3.41Å; V2-I5 PolarHBondContact O-N 3.42Å; V2-I5 VanDerWaalsContact O-N 3.12Å; V2-T6 PolarHBondContact O-N 2.95Å; V2-T6 PolarHBondContact O-OG1 2.79Å |
| 3 | T | 75.2 | Confident | 70.1 | Confident | 102 Ų | 102 | 126.5 Ų | 126.5 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -54.6 | -41.9 | 176.7 | 45.4 | 0 | 0 | 0 | 0 | 114.3 | M1 T6 E7 | M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.16Å; T3-T6 WeakPolarHBondContact CA-OG1 3.35Å; T3-T6 PolarHBondContact O-N 3.12Å; T3-T6 PolarHBondContact O-OG1 3.24Å; T3-E7 PolarHBondContact O-N 3.01Å |
| 4 | L | 76.1 | Confident | 69.1 | Low | 112 Ų | 112 | 127.1 Ų | 127.1 | 59% | 0.586 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.1 | -39.6 | 178.5 | -61.2 | 171.7 | 0 | 0 | 0 | 110.9 | M1 V2 E7 Q8 | M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 2.82Å; V2-L4 VanDerWaalsContact C-N 3.33Å; V2-L4 PolarHBondContact O-N 3.22Å; L4-E7 PolarHBondContact O-N 3.05Å; L4-Q8 WeakPolarHBondContact O-CB 3.29Å; L4-Q8 PolarHBondContact O-N 3.04Å |
| 5 | I | 75.3 | Confident | 68.3 | Low | 99 Ų | 99 | 130.5 Ų | 130.5 | 51% | 0.508 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.8 | -42.8 | 178.4 | -59.3 | 168.5 | 0 | 0 | 0 | 110.1 | M1 V2 Q8 L9 | M1-I5 PolarHBondContact O-N 2.81Å; V2-I5 WeakPolarHBondContact O-CB 3.41Å; V2-I5 PolarHBondContact O-N 3.42Å; V2-I5 VanDerWaalsContact O-N 3.12Å; I5-Q8 PolarHBondContact O-N 3.13Å; I5-L9 HydrophobicContact CG2-CD1 4.11Å; I5-L9 WeakPolarHBondContact O-CG 3.37Å; I5-L9 PolarHBondContact O-N 3.47Å |
| 6 | T | 76.2 | Confident | 67.5 | Low | 85 Ų | 85 | 132.2 Ų | 132.2 | 52% | 0.521 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.9 | -33.7 | 175.8 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | V2 T3 R10 | V2-T6 PolarHBondContact O-N 2.95Å; V2-T6 PolarHBondContact O-OG1 2.79Å; T3-T6 WeakPolarHBondContact CA-OG1 3.35Å; T3-T6 PolarHBondContact O-N 3.12Å; T3-T6 PolarHBondContact O-OG1 3.24Å; T6-R10 WeakPolarHBondContact O-CB 3.4Å; T6-R10 PolarHBondContact O-N 3.47Å; T6-R10 VanDerWaalsContact O-N 3.11Å |
| 7 | E | 75.3 | Confident | 66.8 | Low | 90 Ų | 90 | 130.3 Ų | 130.3 | 42% | 0.421 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.9 | -43.8 | 174.4 | -162.5 | -167 | 152 | 0 | 0 | 111.6 | T3 L4 L9 R10 R11 | T3-E7 PolarHBondContact O-N 3.01Å; L4-E7 PolarHBondContact O-N 3.05Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 2.95Å; E7-R10 PolarHBondContact O-N 3.46Å; E7-R11 WeakPolarHBondContact O-CG 3.47Å; E7-R11 PolarHBondContact O-N 2.74Å; E7-R11 IonicContact OE1-CZ 3.18Å; E7-R11 IonicContact OE1-NE 2.81Å; E7-R11 PolarHBondContact OE1-NE 2.69Å; E7-R11 IonicContact OE1-NH2 2.7Å; E7-R11 PolarHBondContact OE1-NH2 3.15Å |
| 8 | Q | 73.1 | Confident | 65.9 | Low | 123 Ų | 123 | 129.7 Ų | 129.7 | 58% | 0.575 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -57.4 | -46.3 | 177.7 | -154.3 | 80.9 | 1.6 | 0 | 0 | 111.3 | L4 I5 R11 Q12 | L4-Q8 WeakPolarHBondContact O-CB 3.29Å; L4-Q8 PolarHBondContact O-N 3.04Å; I5-Q8 PolarHBondContact O-N 3.13Å; Q8-R11 PolarHBondContact O-N 2.75Å; Q8-Q12 PolarHBondContact O-N 2.72Å |
| 9 | L | 69.9 | Low | 64.6 | Low | 105 Ų | 105 | 134.9 Ų | 134.9 | 55% | 0.55 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -65.6 | -40.8 | 176.8 | -72.1 | 169.3 | 0 | 0 | 0 | 112.1 | I5 E7 R11 Q12 N13 | I5-L9 HydrophobicContact CG2-CD1 4.11Å; I5-L9 WeakPolarHBondContact O-CG 3.37Å; I5-L9 PolarHBondContact O-N 3.47Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 2.95Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.29Å; L9-Q12 PolarHBondContact O-N 3.29Å; L9-N13 PolarHBondContact O-N 3.04Å; L9-N13 VanDerWaalsContact O-N 3.15Å |
| 10 | R | 71.9 | Confident | 63.8 | Low | 193 Ų | 193 | 140.2 Ų | 140.2 | 73% | 0.728 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.2 | -36.4 | 176.6 | -172.9 | 175.8 | -177.8 | 173.4 | 1.8 | 112.2 | T6 E7 N13 | T6-R10 WeakPolarHBondContact O-CB 3.4Å; T6-R10 PolarHBondContact O-N 3.47Å; T6-R10 VanDerWaalsContact O-N 3.11Å; E7-R10 PolarHBondContact O-N 3.46Å; R10-N13 PolarHBondContact O-N 2.97Å |
| 11 | R | 68.6 | Low | 62.5 | Low | 169 Ų | 169 | 143.3 Ų | 143.3 | 64% | 0.638 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.1 | -37.3 | 174.4 | -71.2 | 176.7 | -179.4 | -99.7 | 5.7 | 112.1 | E7 Q8 L9 N13 | E7-R11 WeakPolarHBondContact O-CG 3.47Å; E7-R11 PolarHBondContact O-N 2.74Å; E7-R11 IonicContact OE1-CZ 3.18Å; E7-R11 IonicContact OE1-NE 2.81Å; E7-R11 PolarHBondContact OE1-NE 2.69Å; E7-R11 IonicContact OE1-NH2 2.7Å; E7-R11 PolarHBondContact OE1-NH2 3.15Å; Q8-R11 PolarHBondContact O-N 2.75Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.29Å; R11-N13 VanDerWaalsContact C-N 3.28Å; R11-N13 PolarHBondContact O-N 3.29Å |
| 12 | Q | 62.9 | Low | 61.9 | Low | 145 Ų | 145 | 138.8 Ų | 138.8 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.1 | -18.3 | 176.1 | -75 | -176 | -21.2 | 0 | 0 | 114.3 | Q8 L9 | Q8-Q12 PolarHBondContact O-N 2.72Å; L9-Q12 PolarHBondContact O-N 3.29Å |
| 13 | N | 58.3 | Low | 60.7 | Low | 127 Ų | 127 | 141.6 Ų | 141.6 | 68% | 0.679 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -2.6 | -178.7 | -174.4 | -127.2 | 0 | 0 | 0 | 114.3 | L9 R10 R11 | L9-N13 PolarHBondContact O-N 3.04Å; L9-N13 VanDerWaalsContact O-N 3.15Å; R10-N13 PolarHBondContact O-N 2.97Å; R11-N13 VanDerWaalsContact C-N 3.28Å; R11-N13 PolarHBondContact O-N 3.29Å |
| 14 | L | 56.1 | Low | 59.1 | Low | 136 Ų | 136 | 141.9 Ų | 141.9 | 71% | 0.712 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -103.7 | -10.9 | -178.1 | -113 | 73.5 | 0 | 0 | 0 | 115 | E16 | L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 2.91Å |
| 15 | E | 57.2 | Low | 57.3 | Low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | | | trans | -94.4 | 46 | -174.8 | -157.2 | 75.3 | -140.8 | 0 | 0 | 111.8 | | |
| 16 | E | 55.6 | Low | 55.7 | Low | 157 Ų | 157 | 146.3 Ų | 146.3 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | | | trans | -95.5 | 112.3 | 177.4 | -168.4 | 154.8 | -131.8 | 0 | 0 | 110 | L14 | L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 2.91Å |
| 17 | P | 56.6 | Low | 53.7 | Low | 100 Ų | 100 | 148.8 Ų | 148.8 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | | | trans | -73.6 | 138 | -167.3 | 27.8 | -34.8 | 0 | 0 | 0 | 112.3 | Y19 | P17-Y19 PolarHBondContact O-N 3.3Š|
| 18 | P | 49.9 | Very low | 52 | Low | 120 Ų | 120 | 149.3 Ų | 149.3 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | trans | -65.9 | 125.1 | -179 | 26.6 | -34.2 | 0 | 0 | 0 | 111.2 | R20 | P18-R20 PolarHBondContact O-N 3.45Š|
| 19 | Y | 41.9 | Very low | 50.8 | Low | 228 Ų | 228 | 150.8 Ų | 150.8 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | | | trans | -61 | 87.4 | -178.2 | -81.2 | -99.3 | 0 | 0 | 0 | 113 | P17 | P17-Y19 PolarHBondContact O-N 3.3Š|
| 20 | R | 48.9 | Very low | 49.4 | Very low | 240 Ų | 240 | 151.2 Ų | 151.2 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | | | trans | -99.5 | 90.6 | 164.6 | -86.5 | -149.5 | 178 | -131.3 | 3.6 | 112 | P18 | P18-R20 PolarHBondContact O-N 3.45Š|
| 21 | R | 36 | Very low | 47.7 | Very low | 206 Ų | 206 | 150.9 Ų | 150.9 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | | | trans | -149.6 | 100.2 | 146.2 | -158.3 | 161 | -65.2 | 170.3 | 2.9 | 110.8 | F23 | R21-F23 HydrophobicContact CG-CD2 4.36Å; R21-F23 HydrophobicContact CG-CE2 3.77Å; R21-F23 HydrophobicContact CG-CZ 4.17Å |
| 22 | A | 48.7 | Very low | 46.5 | Very low | 86 Ų | 86 | 149.9 Ų | 149.9 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -72.6 | 135.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 23 | F | 41.1 | Very low | 45.5 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | -126.1 | 82 | 162.7 | -76.4 | -70.7 | 0 | 0 | 0 | 108.4 | R21 L25 | R21-F23 HydrophobicContact CG-CD2 4.36Å; R21-F23 HydrophobicContact CG-CE2 3.77Å; R21-F23 HydrophobicContact CG-CZ 4.17Å; F23-L25 PolarHBondContact O-N 2.93Å |
| 24 | S | 41.6 | Very low | 44.4 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | -72.2 | 89.2 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | N26 | S24-N26 PolarHBondContact O-N 3.21Š|
| 25 | L | 38.4 | Very low | 43.5 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -77 | 98.7 | 167.7 | -76.6 | 171.9 | 0 | 0 | 0 | 109.1 | F23 V27 | F23-L25 PolarHBondContact O-N 2.93Å; L25-V27 PolarHBondContact O-N 3.05Å |
| 26 | N | 41.6 | Very low | 43 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -63.4 | 103.9 | 165.8 | -82.4 | -22.2 | 0 | 0 | 0 | 109.1 | S24 S28 | S24-N26 PolarHBondContact O-N 3.21Å; N26-S28 VanDerWaalsContact C-N 3.27Å; N26-S28 PolarHBondContact O-N 3.08Å; N26-S28 VanDerWaalsContact O-N 3.09Å |
| 27 | V | 34.2 | Very low | 42 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -81.4 | 80.9 | 167.3 | -176.1 | 0 | 0 | 0 | 0 | 108 | L25 L29 | L25-V27 PolarHBondContact O-N 3.05Å; V27-L29 PolarHBondContact O-N 3.48Å |
| 28 | S | 40.3 | Very low | 40.9 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 116.5 | 165.2 | -62.8 | 0 | 0 | 0 | 0 | 108.5 | N26 P30 | N26-S28 VanDerWaalsContact C-N 3.27Å; N26-S28 PolarHBondContact O-N 3.08Å; N26-S28 VanDerWaalsContact O-N 3.09Å; S28-P30 VanDerWaalsContact O-CD 3.26Å; S28-P30 WeakPolarHBondContact O-CD 3.48Å |
| 29 | L | 47.1 | Very low | 40.2 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 116.9 | -177.1 | -166.7 | 156.6 | 0 | 0 | 0 | 109.7 | V27 | V27-L29 PolarHBondContact O-N 3.48Š|
| 30 | P | 40.3 | Very low | 39.8 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 133.6 | 175.8 | -11.2 | 29.3 | 0 | 0 | 0 | 110.7 | S28 | S28-P30 VanDerWaalsContact O-CD 3.26Å; S28-P30 WeakPolarHBondContact O-CD 3.48Å |
| 31 | E | 37.1 | Very low | 38.9 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -74.1 | 175.8 | 179.2 | -154.3 | 171.7 | 140.1 | 0 | 0 | 112.4 | G33 | E31-G33 PolarHBondContact O-N 3.07Š|
| 32 | V | 42.4 | Very low | 38.8 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -61.7 | 128.7 | -176.3 | 174.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 33 | G | 43 | Very low | 38 | Very low | 59 Ų | 59 | 142.2 Ų | 142.2 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | 130.9 | 158.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | E31 | E31-G33 PolarHBondContact O-N 3.07Š|
| 34 | S | 34.8 | Very low | 37.8 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | 70.6 | 95.9 | 164.3 | -52.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 35 | S | 37.8 | Very low | 37.6 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -61.5 | 147.9 | 143.3 | -50.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 36 | P | 45.5 | Very low | 38 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | | -149.1 | 153.8 | 87.7 | 37.2 | -19.3 | 0 | 0 | 0 | 117.4 | | |
| 37 | T | 35.7 | Very low | 38.2 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 21.5 | 125 | 137.5 | -33.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 38 | V | 33.8 | Very low | 38 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | | | | 173.9 | 146.4 | 113.5 | 153.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 39 | C | 33.3 | Very low | 37.9 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 69% | 0.689 | 79% | 0.788 | S | S | * | * | | | trans | -20 | 147.1 | 172 | -56.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 40 | W | 33.6 | Very low | 37.5 | Very low | 261 Ų | 261 | 136.7 Ų | 136.7 | 99% | 0.989 | 79% | 0.787 | S | S | * | * | | | | -131.7 | 141.9 | 115.7 | -86.3 | 96.9 | 0 | 0 | 0 | 112.1 | | |
| 41 | R | 31.1 | Very low | 37.3 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -111 | 145.4 | 174.2 | 178.8 | -162.5 | -59.4 | -146.1 | 2.8 | 106.8 | | |
| 42 | G | 32.7 | Very low | 37.1 | Very low | 53 Ų | 53 | 139.7 Ų | 139.7 | 55% | 0.546 | 79% | 0.794 | S | S | . | * | | | cis | 153.1 | 140.9 | -4.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 43 | Y | 33.7 | Very low | 36.8 | Very low | 242 Ų | 242 | 140.5 Ų | 140.5 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | | | trans | -144.5 | 146.8 | 171.6 | -58.9 | -83.6 | 0 | 0 | 0 | 107.8 | | |
| 44 | G | 35.1 | Very low | 36.4 | Very low | 69 Ų | 69 | 147.5 Ų | 147.5 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | cis | 168.7 | 42.1 | 0.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 45 | L | 38.6 | Very low | 37.2 | Very low | 173 Ų | 173 | 147 Ų | 147 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -132.2 | 151 | 177.3 | -67.9 | 175 | 0 | 0 | 0 | 110.1 | | |
| 46 | T | 45.8 | Very low | 36.7 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | trans | -111.7 | -172.8 | -165.6 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 47 | P | 46.3 | Very low | 36.2 | Very low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | | -116.8 | 176.6 | -122.3 | 23.9 | 0.7 | 0 | 0 | 0 | 114.1 | | |
| 48 | E | 30.8 | Very low | 36.2 | Very low | 167 Ų | 167 | 150 Ų | 150 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -165.6 | 152.4 | 131.2 | -156.8 | 62 | 173.5 | 0 | 0 | 112 | | |
| 49 | S | 38.1 | Very low | 36.1 | Very low | 89 Ų | 89 | 150.3 Ų | 150.3 | 62% | 0.622 | 81% | 0.805 | S | S | * | * | | | trans | 42.2 | 100.4 | 167.3 | 60.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 50 | S | 39 | Very low | 35.9 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | | 57.7 | 88.6 | 50.8 | -159.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 51 | W | 34.5 | Very low | 35.9 | Very low | 249 Ų | 249 | 146.4 Ų | 146.4 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | | | trans | -141 | 119.2 | 152.4 | -79.4 | 105 | 0 | 0 | 0 | 109.3 | | |
| 52 | S | 34.2 | Very low | 36.1 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -90.7 | 123.5 | -179.8 | 53 | 0 | 0 | 0 | 0 | 111.7 | | |
| 53 | M | 35.5 | Very low | 36.1 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -79.7 | 146.8 | 149.6 | -82.4 | -171.2 | 167.2 | 0 | 0 | 109.5 | | |
| 54 | F | 34.5 | Very low | 36.2 | Very low | 206 Ų | 206 | 140.2 Ų | 140.2 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | | | | -172.8 | 167.1 | 115.5 | -85.8 | -46.1 | 0 | 0 | 0 | 110.1 | | |
| 55 | P | 50.8 | Low | 36.3 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -120.2 | -139.1 | -147.7 | 44.3 | -31 | 0 | 0 | 0 | 113.2 | | |
| 56 | S | 28.8 | Very low | 36.2 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | 75.5 | 147.8 | -175.9 | -78.8 | 0 | 0 | 0 | 0 | 116 | | |
| 57 | S | 33.8 | Very low | 35.7 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | cis | -161 | -168.8 | -18.8 | 47.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 58 | K | 35.8 | Very low | 35.2 | Very low | 191 Ų | 191 | 140 Ų | 140 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | -104.9 | 170.8 | -167.1 | -175.4 | 175.4 | 178 | 178.9 | 0 | 112.6 | | |
| 59 | T | 32.6 | Very low | 35.2 | Very low | 135 Ų | 135 | 137 Ų | 137 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | 93.1 | 156.5 | 169.2 | 77.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 60 | H | 29.1 | Very low | 34.9 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | cis | -174.6 | 164.4 | -28.9 | 176.2 | -129.8 | 0 | 0 | 0 | 109.7 | | |
| 61 | L | 32.4 | Very low | 34.8 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | | | trans | 69.2 | 143.4 | -178 | -58.5 | 164.6 | 0 | 0 | 0 | 115.3 | | |
| 62 | Q | 36.3 | Very low | 34.8 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | cis | 105.7 | 153.2 | 15.6 | -71.4 | -157.4 | 94 | 0 | 0 | 116.5 | | |
| 63 | D | 31.6 | Very low | 35.5 | Very low | 157 Ų | 157 | 136 Ų | 136 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | 70.4 | 146.6 | -179.1 | -75.1 | -9 | 0 | 0 | 0 | 119 | | |
| 64 | A | 36.3 | Very low | 35.3 | Very low | 81 Ų | 81 | 136.1 Ų | 136.1 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | cis | -168.4 | 150.3 | -16.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 65 | A | 36.9 | Very low | 35.3 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | 57.4 | 173.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 66 | S | 36.5 | Very low | 34.5 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | cis | -165 | 164.4 | -10.6 | -131.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 67 | V | 35.2 | Very low | 35.1 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | cis | -120.5 | -120.8 | -5.9 | -154.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 68 | L | 35.7 | Very low | 35.6 | Very low | 156 Ų | 156 | 133 Ų | 133 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | | | cis | -155.8 | 155.4 | -12.4 | -140.3 | 172.4 | 0 | 0 | 0 | 107.1 | | |
| 69 | S | 31.5 | Very low | 36.1 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -139.3 | 141 | -163.1 | -44.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 70 | S | 32 | Very low | 36.2 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 172.4 | 136.3 | 157.1 | -89.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 71 | L | 36 | Very low | 36.5 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | cis | -135.2 | 151.6 | -0.5 | -76.2 | 168.1 | 0 | 0 | 0 | 110.5 | | |
| 72 | D | 35.3 | Very low | 36.8 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | -95.7 | -177.4 | 167.3 | -109.4 | -46.8 | 0 | 0 | 0 | 110 | | |
| 73 | P | 48 | Very low | 37 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | cis | -131.2 | 161.4 | 5.9 | 40.3 | -24.5 | 0 | 0 | 0 | 116.9 | | |
| 74 | L | 33.1 | Very low | 37.3 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | S | Bend | | 178 | 117.2 | 116.2 | -177.2 | 62.2 | 0 | 0 | 0 | 112.4 | | |
| 75 | G | 34.8 | Very low | 37.8 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | 88.4 | 63.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 76 | T | 32.6 | Very low | 38 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | -76.3 | 167.3 | 163.2 | 33.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 77 | P | 42.1 | Very low | 38.5 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | cis | -137.1 | 158.7 | -21.7 | 34 | -15 | 0 | 0 | 0 | 116 | | |
| 78 | L | 44.7 | Very low | 38.8 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -86.6 | 168.2 | 148.5 | -93.4 | 98.4 | 0 | 0 | 0 | 109 | | |
| 79 | P | 45.3 | Very low | 39.6 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | -151.9 | -165.2 | 32 | 43.8 | -21.4 | 0 | 0 | 0 | 117.3 | | |
| 80 | S | 35.6 | Very low | 40.4 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | 66.1 | 108.2 | 144.9 | -63.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 81 | T | 34.1 | Very low | 41.4 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | | | trans | -125.3 | 119.4 | 134 | 47.6 | 0 | 0 | 0 | 0 | 110.3 | A83 | T81-A83 PolarHBondContact O-N 3.21Š|
| 82 | S | 38.6 | Very low | 42.9 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -84 | 109.6 | 176.5 | 53 | 0 | 0 | 0 | 0 | 110.5 | T84 | S82-T84 PolarHBondContact O-N 3.32Å; S82-T84 VanDerWaalsContact O-N 3.12Å |
| 83 | A | 41.4 | Very low | 44.6 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | -77.2 | 93.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T81 N85 | T81-A83 PolarHBondContact O-N 3.21Å; A83-N85 PolarHBondContact O-N 3.24Å |
| 84 | T | 37.3 | Very low | 45.4 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | | | trans | -67.4 | 86.6 | 178.6 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | S82 M86 | S82-T84 PolarHBondContact O-N 3.32Å; S82-T84 VanDerWaalsContact O-N 3.12Å; T84-M86 HydrophobicContact CG2-CB 4.33Å; T84-M86 HydrophobicContact CG2-CG 3.77Å; T84-M86 PolarHBondContact O-N 2.92Å |
| 85 | N | 47.5 | Very low | 47.3 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -77.7 | 89.4 | 174.8 | -166.4 | -24.7 | 0 | 0 | 0 | 110.1 | A83 | A83-N85 PolarHBondContact O-N 3.24Š|
| 86 | M | 40.9 | Very low | 49.3 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -122.7 | 125.8 | 177.4 | -80.8 | -71.9 | 131 | 0 | 0 | 109.7 | T84 | T84-M86 HydrophobicContact CG2-CB 4.33Å; T84-M86 HydrophobicContact CG2-CG 3.77Å; T84-M86 PolarHBondContact O-N 2.92Å |
| 87 | S | 46 | Very low | 51.1 | Low | 99 Ų | 99 | 128.2 Ų | 128.2 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | 65.4 | 121.2 | -170.8 | -150.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 88 | L | 42.7 | Very low | 52.5 | Low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | cis | -125.9 | 99.5 | 32.4 | -68.2 | 156.4 | 0 | 0 | 0 | 112.4 | | |
| 89 | Q | 52.2 | Low | 53.8 | Low | 171 Ų | 171 | 125.8 Ų | 125.8 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | -89.3 | -179.8 | 149.5 | -66.5 | -171.2 | 3.5 | 0 | 0 | 108.9 | | |
| 90 | N | 48.3 | Very low | 54.8 | Low | 165 Ų | 165 | 130.8 Ų | 130.8 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | | | trans | 73.1 | 41.6 | 177 | -57.1 | 45.7 | 0 | 0 | 0 | 116.4 | | |
| 91 | S | 53.1 | Low | 56.3 | Low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -128.7 | 130.9 | 148.4 | -166.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 92 | P | 67.6 | Low | 57.7 | Low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 147.7 | 178.4 | 28.7 | -34.4 | 0 | 0 | 0 | 110.5 | L94 | P92-L94 PolarHBondContact O-N 3.03Š|
| 93 | P | 70.7 | Confident | 58.4 | Low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 132.4 | 177.5 | 25.5 | -33.8 | 0 | 0 | 0 | 110.3 | | |
| 94 | L | 65.1 | Low | 59.2 | Low | 161 Ų | 161 | 142.3 Ų | 142.3 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 135.1 | 176.7 | -75.8 | 162.3 | 0 | 0 | 0 | 109.9 | P92 | P92-L94 PolarHBondContact O-N 3.03Š|
| 95 | P | 73.3 | Confident | 59.7 | Low | 107 Ų | 107 | 141.7 Ų | 141.7 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62 | 142.8 | 177.9 | 26.5 | -34.1 | 0 | 0 | 0 | 110.1 | | |
| 96 | P | 75.8 | Confident | 60.2 | Low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 145.8 | -178.7 | 25.5 | -34.4 | 0 | 0 | 0 | 110.9 | | |
| 97 | P | 70.6 | Confident | 60.5 | Low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.4 | 179.9 | 25.3 | -34.3 | 0 | 0 | 0 | 110.1 | | |
| 98 | P | 71.2 | Confident | 60.8 | Low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 132 | -177.4 | 24.1 | -33.6 | 0 | 0 | 0 | 109.8 | K100 | P98-K100 PolarHBondContact O-N 3.46Š|
| 99 | P | 73.1 | Confident | 60.9 | Low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -59 | 132.2 | -176.9 | 23.6 | -33.5 | 0 | 0 | 0 | 109.6 | R101 | P99-R101 VanDerWaalsContact C-N 3.33Å; P99-R101 WeakPolarHBondContact O-CG 3.45Å; P99-R101 PolarHBondContact O-N 2.77Å |
| 100 | K | 65.8 | Low | 61.1 | Low | 213 Ų | 213 | 135.8 Ų | 135.8 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | | | trans | -56.8 | 91.1 | -177.3 | -71.2 | -179.6 | 177.8 | 177.4 | 0 | 110.3 | P98 H102 | P98-K100 PolarHBondContact O-N 3.46Å; K100-H102 PolarHBondContact O-N 3.34Å; K100-H102 VanDerWaalsContact O-N 3.16Å |
| 101 | R | 66.9 | Low | 61.4 | Low | 226 Ų | 226 | 132.7 Ų | 132.7 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | | | trans | -64.1 | 119.1 | 178.9 | -53.4 | -165.1 | 92.4 | -149.7 | 6.2 | 107.4 | P99 C103 | P99-R101 VanDerWaalsContact C-N 3.33Å; P99-R101 WeakPolarHBondContact O-CG 3.45Å; P99-R101 PolarHBondContact O-N 2.77Å; R101-C103 PolarHBondContact O-N 3.42Å; R101-C103 PolarHBondContact O-SG 3.47Å |
| 102 | H | 63.9 | Low | 61.2 | Low | 150 Ų | 150 | 132.6 Ų | 132.6 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | | | trans | -70.1 | 100 | -174.1 | -165 | 89.6 | 0 | 0 | 0 | 109.3 | K100 R104 | K100-H102 PolarHBondContact O-N 3.34Å; K100-H102 VanDerWaalsContact O-N 3.16Å; H102-R104 VanDerWaalsContact NE2-CD 3.35Å; H102-R104 WeakPolarHBondContact NE2-CD 3.16Å; H102-R104 PolarHBondContact O-N 3.46Å |
| 103 | C | 52.8 | Low | 60.5 | Low | 125 Ų | 125 | 131 Ų | 131 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | | | trans | -72.7 | 66.9 | -175.4 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | R101 | R101-C103 PolarHBondContact O-N 3.42Å; R101-C103 PolarHBondContact O-SG 3.47Å |
| 104 | R | 58.8 | Low | 59.8 | Low | 203 Ų | 203 | 132.8 Ų | 132.8 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | | | trans | -111.4 | 85.8 | 168.2 | -79.6 | -169.4 | 167.5 | 168.7 | -6.9 | 110.9 | H102 | H102-R104 VanDerWaalsContact NE2-CD 3.35Å; H102-R104 WeakPolarHBondContact NE2-CD 3.16Å; H102-R104 PolarHBondContact O-N 3.46Å |
| 105 | S | 48.4 | Very low | 58.9 | Low | 100 Ų | 100 | 133.9 Ų | 133.9 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | | | trans | -129.3 | 66 | 161.1 | 60 | 0 | 0 | 0 | 0 | 109 | S107 | S105-S107 PolarHBondContact O-N 2.89Š|
| 106 | L | 56.2 | Low | 57.7 | Low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | | | trans | -76.2 | 49 | 170.4 | -70.5 | 177.3 | 0 | 0 | 0 | 111.1 | V108 | L106-V108 PolarHBondContact O-N 2.88Š|
| 107 | S | 48.4 | Very low | 56.5 | Low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | | | trans | -91.6 | 83.6 | 167.1 | 57.1 | 0 | 0 | 0 | 0 | 108.2 | S105 P109 | S105-S107 PolarHBondContact O-N 2.89Å; S107-P109 WeakPolarHBondContact O-CD 3.1Å |
| 108 | V | 50.9 | Low | 56.1 | Low | 110 Ų | 110 | 138.6 Ų | 138.6 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | | | trans | -62.7 | 128 | 166.6 | 177 | 0 | 0 | 0 | 0 | 107.7 | L106 E110 | L106-V108 PolarHBondContact O-N 2.88Å; V108-E110 PolarHBondContact O-N 2.97Å |
| 109 | P | 46.2 | Very low | 55 | Low | 78 Ų | 78 | 143.8 Ų | 143.8 | 51% | 0.506 | 71% | 0.711 | S | S | . | * | | | trans | -77.9 | 108.2 | 172.3 | -14.6 | 30.7 | 0 | 0 | 0 | 110.1 | S107 D111 L112 | S107-P109 WeakPolarHBondContact O-CD 3.1Å; P109-D111 PolarHBondContact O-N 3.31Å; P109-L112 HydrophobicContact CG-CD1 4.43Å; P109-L112 PolarHBondContact O-N 3.49Å |
| 110 | E | 55.6 | Low | 54.4 | Low | 153 Ų | 153 | 148.2 Ų | 148.2 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -47.7 | -28.4 | 177.5 | -121 | 55.1 | -134.8 | 0 | 0 | 114.3 | V108 L112 S113 | V108-E110 PolarHBondContact O-N 2.97Å; E110-L112 VanDerWaalsContact C-N 3.26Å; E110-L112 PolarHBondContact O-N 2.87Å; E110-S113 VanDerWaalsContact O-CB 3.29Å; E110-S113 WeakPolarHBondContact O-CB 3.26Å; E110-S113 PolarHBondContact O-N 2.79Å; E110-S113 PolarHBondContact O-OG 2.87Å |
| 111 | D | 54.2 | Low | 53.8 | Low | 100 Ų | 100 | 142.6 Ų | 142.6 | 54% | 0.535 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -69.2 | -14.8 | -178.8 | -110 | 13.6 | 0 | 0 | 0 | 114.9 | P109 S113 R114 | P109-D111 PolarHBondContact O-N 3.31Å; D111-S113 PolarHBondContact O-N 2.89Å; D111-R114 IonicContact OD1-CZ 3.16Å; D111-R114 IonicContact OD1-NH1 2.72Å; D111-R114 PolarHBondContact OD1-NH1 3.05Å; D111-R114 IonicContact OD1-NH2 2.75Å; D111-R114 PolarHBondContact OD1-NH2 2.88Å; D111-R114 IonicContact OD2-NH2 3.15Å; D111-R114 PolarHBondContact OD2-NH2 3.12Å; D111-R114 VanDerWaalsContact OD2-NH2 3.15Å |
| 112 | L | 50.5 | Low | 53.3 | Low | 107 Ų | 107 | 137.6 Ų | 137.6 | 56% | 0.56 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -71.3 | -12.8 | 173.2 | -76.2 | 170.3 | 0 | 0 | 0 | 113.3 | P109 E110 R114 Y115 | P109-L112 HydrophobicContact CG-CD1 4.43Å; P109-L112 PolarHBondContact O-N 3.49Å; E110-L112 VanDerWaalsContact C-N 3.26Å; E110-L112 PolarHBondContact O-N 2.87Å; L112-R114 PolarHBondContact O-N 3.31Å; L112-Y115 PolarHBondContact O-N 3.48Å |
| 113 | S | 52.8 | Low | 52.6 | Low | 73 Ų | 73 | 135 Ų | 135 | 51% | 0.51 | 70% | 0.702 | S | S | . | * | G | 310 helix | trans | -50.3 | -38.6 | 171.5 | 53 | 0 | 0 | 0 | 0 | 113.1 | E110 D111 Y115 | E110-S113 VanDerWaalsContact O-CB 3.29Å; E110-S113 WeakPolarHBondContact O-CB 3.26Å; E110-S113 PolarHBondContact O-N 2.79Å; E110-S113 PolarHBondContact O-OG 2.87Å; D111-S113 PolarHBondContact O-N 2.89Å; S113-Y115 VanDerWaalsContact C-N 3.34Å; S113-Y115 PolarHBondContact O-N 3.09Å |
| 114 | R | 54.4 | Low | 52.5 | Low | 165 Ų | 165 | 131.9 Ų | 131.9 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -82.2 | -5.8 | -178.2 | -60 | -169.1 | -62.4 | -76.9 | 2 | 114.6 | D111 L112 | D111-R114 IonicContact OD1-CZ 3.16Å; D111-R114 IonicContact OD1-NH1 2.72Å; D111-R114 PolarHBondContact OD1-NH1 3.05Å; D111-R114 IonicContact OD1-NH2 2.75Å; D111-R114 PolarHBondContact OD1-NH2 2.88Å; D111-R114 IonicContact OD2-NH2 3.15Å; D111-R114 PolarHBondContact OD2-NH2 3.12Å; D111-R114 VanDerWaalsContact OD2-NH2 3.15Å; L112-R114 PolarHBondContact O-N 3.31Å |
| 115 | Y | 46.9 | Very low | 52.6 | Low | 184 Ų | 184 | 132.3 Ų | 132.3 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -117.4 | 13.5 | -178.3 | -72.8 | -74.8 | 0 | 0 | 0 | 114.1 | L112 S113 T117 | L112-Y115 PolarHBondContact O-N 3.48Å; S113-Y115 VanDerWaalsContact C-N 3.34Å; S113-Y115 PolarHBondContact O-N 3.09Å; Y115-T117 PolarHBondContact O-N 2.89Å |
| 116 | R | 47.9 | Very low | 53.1 | Low | 214 Ų | 214 | 134.4 Ų | 134.4 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | | | trans | -73.4 | 77.7 | 169.5 | -120.7 | -167.6 | -72.7 | -119.3 | 5.8 | 110.7 | | |
| 117 | T | 50.9 | Low | 52.5 | Low | 113 Ų | 113 | 136.9 Ų | 136.9 | 69% | 0.693 | 69% | 0.689 | S | S | * | * | | | trans | -56.8 | 128.2 | 154.8 | 45.1 | 0 | 0 | 0 | 0 | 107.7 | Y115 W119 | Y115-T117 PolarHBondContact O-N 2.89Å; T117-W119 PolarHBondContact O-N 2.79Å |
| 118 | P | 61.4 | Low | 53.2 | Low | 104 Ų | 104 | 137.8 Ų | 137.8 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | | | trans | -69.6 | 101.1 | -179.3 | 26.5 | -32.8 | 0 | 0 | 0 | 108.6 | R120 | P118-R120 PolarHBondContact O-N 2.9Š|
| 119 | W | 50 | Low | 53.6 | Low | 224 Ų | 224 | 138.3 Ų | 138.3 | 85% | 0.848 | 70% | 0.697 | S | S | * | * | | | trans | -70.1 | 81.3 | 178.1 | -154.1 | 98 | 0 | 0 | 0 | 109.2 | T117 P121 | T117-W119 PolarHBondContact O-N 2.79Å; W119-P121 HydrophobicContact CZ3-CB 4.18Å |
| 120 | R | 60 | Low | 54.1 | Low | 207 Ų | 207 | 141 Ų | 141 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 126 | 170.1 | -62.8 | -167.6 | -178 | -79 | 2.1 | 107.4 | P118 S122 | P118-R120 PolarHBondContact O-N 2.9Å; R120-S122 PolarHBondContact O-N 2.93Å; R120-S122 VanDerWaalsContact O-N 3.07Å |
| 121 | P | 53.4 | Low | 54.2 | Low | 95 Ų | 95 | 143.3 Ų | 143.3 | 62% | 0.617 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 118.5 | 167.1 | 25.2 | -32 | 0 | 0 | 0 | 107.6 | W119 A123 | W119-P121 HydrophobicContact CZ3-CB 4.18Å; P121-A123 PolarHBondContact O-N 2.79Å |
| 122 | S | 56 | Low | 54.4 | Low | 120 Ų | 120 | 149.5 Ų | 149.5 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 125.6 | 173.4 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | R120 S124 | R120-S122 PolarHBondContact O-N 2.93Å; R120-S122 VanDerWaalsContact O-N 3.07Å; S122-S124 PolarHBondContact O-N 2.82Å |
| 123 | A | 48.6 | Very low | 54.6 | Low | 95 Ų | 95 | 154.4 Ų | 154.4 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | -56.4 | 98.5 | -158.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P121 K125 | P121-A123 PolarHBondContact O-N 2.79Å; A123-K125 PolarHBondContact O-N 3.33Å |
| 124 | S | 50.9 | Low | 54.6 | Low | 61 Ų | 61 | 156.8 Ų | 156.8 | 43% | 0.427 | 76% | 0.761 | S | S | . | * | | | trans | -70.9 | 125.1 | 169.2 | 50.4 | 0 | 0 | 0 | 0 | 107.9 | S122 I126 W127 | S122-S124 PolarHBondContact O-N 2.82Å; S124-I126 PolarHBondContact O-N 2.84Å; S124-W127 PolarHBondContact O-N 3.07Å |
| 125 | K | 60.7 | Low | 54.5 | Low | 212 Ų | 212 | 157.2 Ų | 157.2 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 11.6 | -176.3 | -69 | -176.2 | 172.5 | -176.3 | 0 | 114.9 | A123 | A123-K125 PolarHBondContact O-N 3.33Š|
| 126 | I | 58.5 | Low | 54.8 | Low | 143 Ų | 143 | 154.5 Ų | 154.5 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -18.3 | -174.1 | -37.2 | 178.3 | 0 | 0 | 0 | 111 | S124 | S124-I126 PolarHBondContact O-N 2.84Š|
| 127 | W | 45.1 | Very low | 54.7 | Low | 219 Ų | 219 | 148.2 Ų | 148.2 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | -108.4 | 70.5 | -179.1 | -66.3 | 91 | 0 | 0 | 0 | 111.9 | S124 P129 | S124-W127 PolarHBondContact O-N 3.07Å; W127-P129 WeakPolarHBondContact O-CD 3.38Å |
| 128 | T | 63.3 | Low | 54 | Low | 117 Ų | 117 | 147 Ų | 147 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | | | trans | -75 | 118.1 | 162.7 | 34.9 | 0 | 0 | 0 | 0 | 109.3 | V130 | T128-V130 PolarHBondContact O-N 3.41Å; T128-V130 VanDerWaalsContact O-N 3.16Å |
| 129 | P | 58.4 | Low | 52.9 | Low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -69 | 116.1 | 179.1 | 27 | -33.2 | 0 | 0 | 0 | 110.1 | W127 K131 | W127-P129 WeakPolarHBondContact O-CD 3.38Å; P129-K131 PolarHBondContact O-N 3.07Å |
| 130 | V | 57.3 | Low | 52.6 | Low | 135 Ų | 135 | 142.4 Ų | 142.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -65.9 | 103.2 | 179.8 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | T128 R132 | T128-V130 PolarHBondContact O-N 3.41Å; T128-V130 VanDerWaalsContact O-N 3.16Å; V130-R132 PolarHBondContact O-N 3.24Å |
| 131 | K | 56.5 | Low | 51.7 | Low | 201 Ų | 201 | 137.6 Ų | 137.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -67.6 | 101.1 | 171.9 | -82.4 | -171.2 | 172.4 | -176.4 | 0 | 109.8 | P129 R133 | P129-K131 PolarHBondContact O-N 3.07Å; K131-R133 PolarHBondContact O-N 3.07Å; K131-R133 VanDerWaalsContact O-N 3.08Å |
| 132 | R | 59.7 | Low | 51 | Low | 230 Ų | 230 | 136.3 Ų | 136.3 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | trans | -58.6 | 111.7 | 161.7 | -69.9 | -174.2 | 68.7 | -166.9 | 0.5 | 108.4 | V130 C134 | V130-R132 PolarHBondContact O-N 3.24Å; R132-C134 PolarHBondContact O-N 3.38Å |
| 133 | R | 53.9 | Low | 50.2 | Low | 210 Ų | 210 | 140 Ų | 140 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | | | trans | -75.7 | 108.1 | 170.8 | 179.4 | -173.7 | -70.7 | -109.1 | 5.8 | 107.6 | K131 H135 | K131-R133 PolarHBondContact O-N 3.07Å; K131-R133 VanDerWaalsContact O-N 3.08Å; R133-H135 PolarHBondContact O-CD2 2.86Å |
| 134 | C | 52.4 | Low | 49.5 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -66.6 | 140.8 | 167.8 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | R132 | R132-C134 PolarHBondContact O-N 3.38Š|
| 135 | H | 51.8 | Low | 49 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 81% | 0.806 | 84% | 0.84 | S | S | * | * | | | trans | -100.6 | 127.7 | 179.6 | -64.6 | -102.4 | 0 | 0 | 0 | 110 | R133 | R133-H135 PolarHBondContact O-CD2 2.86Š|
| 136 | S | 53.3 | Low | 47.8 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | | | trans | -130.2 | 136 | 159.2 | -64.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 137 | G | 45.9 | Very low | 46.8 | Very low | 83 Ų | 83 | 135.8 Ų | 135.8 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | | | trans | -96.3 | 175.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 138 | G | 37.6 | Very low | 46.5 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | | | trans | 95.8 | 133.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 139 | G | 38.1 | Very low | 46.1 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | | | cis | -158.5 | -179.6 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 140 | V | 42.9 | Very low | 45.1 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 95% | 0.945 | 84% | 0.842 | S | S | * | * | | | trans | -87.3 | 121.5 | -168.8 | -79.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 141 | A | 42.4 | Very low | 43.9 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 87% | 0.868 | 85% | 0.848 | S | S | * | * | | | trans | -162.1 | 151.7 | 150 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 142 | G | 36.7 | Very low | 42.6 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | | | cis | 148 | 136.4 | 12.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 143 | M | 40.9 | Very low | 41.9 | Very low | 198 Ų | 198 | 128.6 Ų | 128.6 | 98% | 0.975 | 84% | 0.839 | S | S | * | * | | | trans | -62.7 | 144.3 | -167.8 | -58.6 | 90.3 | 73.7 | 0 | 0 | 113.7 | | |
| 144 | G | 32.9 | Very low | 41 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | | | trans | -170.5 | 121 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 145 | V | 41.5 | Very low | 40.2 | Very low | 160 Ų | 160 | 124 Ų | 124 | 97% | 0.97 | 84% | 0.84 | S | S | * | * | | | trans | -93.6 | 136.6 | 172.9 | -164.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 146 | G | 34.8 | Very low | 39.5 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | | | trans | -178.7 | 149.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 147 | S | 38 | Very low | 38.8 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | | | trans | -125.8 | 122.6 | -162.3 | -54.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 148 | V | 37.7 | Very low | 38.3 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 82% | 0.824 | 84% | 0.842 | S | S | * | * | | | trans | 62.9 | -176.6 | 157.6 | -128.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 149 | P | 55.5 | Low | 38.2 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | | | | -120.5 | 155.6 | -115.9 | 41.2 | -25.7 | 0 | 0 | 0 | 115.6 | | |
| 150 | L | 36.6 | Very low | 38 | Very low | 186 Ų | 186 | 128.4 Ų | 128.4 | 97% | 0.974 | 83% | 0.831 | S | S | * | * | | | trans | -135.3 | 157.3 | 164 | -81.4 | 179.6 | 0 | 0 | 0 | 114.2 | | |
| 151 | R | 32.3 | Very low | 37.7 | Very low | 249 Ų | 249 | 129.4 Ų | 129.4 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | | | trans | -117.7 | 119.6 | -166.3 | 161.9 | -172.1 | 176.4 | 178.3 | -0.5 | 108.2 | | |
| 152 | G | 30.3 | Very low | 37.4 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | | | trans | -157.9 | 152.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 153 | P | 44.4 | Very low | 37.1 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | | | trans | -117.5 | 169.7 | -164.1 | 42.6 | -32.5 | 0 | 0 | 0 | 115.7 | | |
| 154 | S | 35.2 | Very low | 37.1 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | 46.1 | 116.9 | 146.5 | -57.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 155 | S | 35.1 | Very low | 37.1 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -148.9 | 129.3 | 135.4 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 156 | S | 37.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -94.3 | 137.7 | 168.8 | -57.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 157 | L | 39.6 | Very low | 37.5 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | | | trans | -131.1 | 129.7 | 164 | -75.6 | 178.2 | 0 | 0 | 0 | 110 | | |
| 158 | T | 34.8 | Very low | 37.7 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | | | trans | -99.9 | 129.1 | -179.4 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 159 | S | 35 | Very low | 38 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | | | trans | -144.9 | 130.1 | 154.9 | 51.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 160 | S | 34.2 | Very low | 37.3 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 57% | 0.573 | 84% | 0.838 | S | S | * | * | | | trans | -119.9 | 131.5 | 173.1 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | H162 | S160-H162 PolarHBondContact OG-CD2 3.03Å; S160-H162 PolarHBondContact OG-NE2 3.14Å |
| 161 | L | 37.1 | Very low | 37.3 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 93% | 0.927 | 83% | 0.832 | S | S | * | * | | | trans | -136.6 | 118.3 | 157 | -84.5 | 172.8 | 0 | 0 | 0 | 106.9 | | |
| 162 | H | 36.7 | Very low | 37.8 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 80% | 0.801 | 83% | 0.834 | S | S | * | * | | | trans | -82.1 | 131.3 | -175.4 | -54.2 | 146.2 | 0 | 0 | 0 | 111.2 | S160 | S160-H162 PolarHBondContact OG-CD2 3.03Å; S160-H162 PolarHBondContact OG-NE2 3.14Å |
| 163 | S | 29.7 | Very low | 38.2 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | | | trans | -140.5 | 123.8 | 156.4 | -87.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 164 | S | 40 | Very low | 38 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | | | trans | -51.5 | 132 | -173.9 | 50.2 | 0 | 0 | 0 | 0 | 117 | | |
| 165 | S | 34.2 | Very low | 37.8 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 84% | 0.841 | S | S | * | * | | | | -173.4 | 120.8 | 119.9 | -171 | 0 | 0 | 0 | 0 | 113.2 | | |
| 166 | S | 41.3 | Very low | 38.3 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 84% | 0.84 | S | S | * | * | | | trans | 56 | 147 | 147.2 | -49.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 167 | P | 42.9 | Very low | 38.2 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | | | trans | -94.6 | 150.8 | -167.7 | 36.8 | -35.7 | 0 | 0 | 0 | 115 | | |
| 168 | T | 41.7 | Very low | 37.9 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 86% | 0.859 | 83% | 0.831 | S | S | * | * | | | trans | -122.8 | 145.9 | 159.6 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | F170 | T168-F170 PolarHBondContact O-N 2.76Š|
| 169 | F | 43.6 | Very low | 38.7 | Very low | 206 Ų | 206 | 136.5 Ų | 136.5 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -70.7 | 114.4 | -178.9 | -92.7 | -113.7 | 0 | 0 | 0 | 111.2 | | |
| 170 | F | 41.3 | Very low | 38.7 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | | | trans | 170.9 | 90.8 | 132.3 | -97.5 | -66.5 | 0 | 0 | 0 | 111.1 | T168 | T168-F170 PolarHBondContact O-N 2.76Š|
| 171 | S | 36.6 | Very low | 39.3 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | | | trans | -164.5 | 90.1 | 163.9 | -87.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 172 | L | 42.3 | Very low | 39.1 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 99% | 0.99 | 82% | 0.823 | S | S | * | * | | | trans | -135 | 68.7 | 163.3 | -78 | -178.4 | 0 | 0 | 0 | 109.2 | | |
| 173 | A | 39.5 | Very low | 38.8 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -139.6 | 100 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 174 | L | 40.5 | Very low | 38.9 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | 60.6 | 100.1 | 160.4 | -50.2 | 176 | 0 | 0 | 0 | 117.4 | | |
| 175 | S | 30.6 | Very low | 38.6 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | trans | -106.3 | 129 | 140.2 | -65.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 176 | P | 44.7 | Very low | 38.6 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | trans | -88.9 | 158.9 | 176.7 | 35.3 | -34.2 | 0 | 0 | 0 | 112.8 | | |
| 177 | D | 36.2 | Very low | 38.2 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | 72.2 | 143.1 | 158.1 | -155.2 | 20.8 | 0 | 0 | 0 | 119.5 | | |
| 178 | S | 32.3 | Very low | 37.9 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -168.3 | 133.8 | 168.9 | -75.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 179 | P | 52.6 | Low | 37.6 | Very low | 93 Ų | 93 | 150 Ų | 150 | 60% | 0.604 | 80% | 0.799 | S | S | * | * | | | trans | -117.7 | 143.4 | -139.8 | 6.5 | 17.7 | 0 | 0 | 0 | 116.5 | | |
| 180 | I | 35.4 | Very low | 37.4 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | | | trans | 70.6 | 164.9 | 138.6 | -59.8 | 168 | 0 | 0 | 0 | 115.5 | | |
| 181 | P | 46.2 | Very low | 37.7 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | cis | -119.2 | 153.7 | -35.4 | 31.3 | -16.5 | 0 | 0 | 0 | 114 | | |
| 182 | W | 32.3 | Very low | 38.3 | Very low | 254 Ų | 254 | 140.9 Ų | 140.9 | 96% | 0.962 | 77% | 0.771 | S | S | * | * | | | | 169.8 | 168.4 | 124 | 69.1 | -69 | 0 | 0 | 0 | 112.9 | | |
| 183 | S | 31.2 | Very low | 38 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | | -162.8 | 140.8 | -76.7 | -168.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 184 | V | 32.5 | Very low | 37.8 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | | | trans | 57.2 | 159.8 | 177.9 | -118.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 185 | S | 32.6 | Very low | 37.7 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 54% | 0.538 | 75% | 0.754 | S | S | . | * | | | cis | -154 | 159.5 | 3.7 | -160.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 186 | W | 33.4 | Very low | 37.9 | Very low | 242 Ų | 242 | 142 Ų | 142 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | | | cis | -147.4 | 161.2 | 32.9 | -81.5 | 78.9 | 0 | 0 | 0 | 113 | | |
| 187 | D | 34.4 | Very low | 37.6 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | trans | -91.5 | 170.9 | 172.8 | -106 | -56.2 | 0 | 0 | 0 | 113.7 | | |
| 188 | H | 35.8 | Very low | 37.5 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | trans | 71 | 109.6 | 154.4 | -117 | 73.6 | 0 | 0 | 0 | 119.7 | | |
| 189 | Y | 36.1 | Very low | 37.8 | Very low | 214 Ų | 214 | 142.4 Ų | 142.4 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | | -173.3 | 128 | 94.1 | -106.9 | -76.3 | 0 | 0 | 0 | 111.8 | | |
| 190 | D | 39.2 | Very low | 37.2 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | | | trans | -103.2 | 152.5 | 161.4 | -161.8 | 11.4 | 0 | 0 | 0 | 106.4 | | |
| 191 | P | 46.4 | Very low | 38 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | | -157.6 | -163.3 | 84.8 | 43.7 | -21.1 | 0 | 0 | 0 | 113.6 | | |
| 192 | P | 49.4 | Very low | 37.5 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | | -129.5 | -162.5 | -82.4 | 41.9 | -23.9 | 0 | 0 | 0 | 112.2 | | |
| 193 | R | 37.7 | Very low | 37.6 | Very low | 205 Ų | 205 | 139.4 Ų | 139.4 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | trans | 76.1 | 145.1 | 176.4 | -66.7 | 177.3 | 156.8 | -110.3 | -10.1 | 114.9 | | |
| 194 | E | 33.7 | Very low | 37.6 | Very low | 144 Ų | 144 | 141 Ų | 141 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | | | cis | -150.5 | 152.3 | -3.2 | -128.9 | 156 | 153.1 | 0 | 0 | 111.3 | | |
| 195 | S | 38.8 | Very low | 37.7 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -79.2 | 137.7 | 169.7 | -56.4 | 0 | 0 | 0 | 0 | 111 | | |
| 196 | C | 35.7 | Very low | 37.6 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | | | trans | -157.1 | 157.3 | 146.7 | -129.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 197 | T | 38.5 | Very low | 37.8 | Very low | 137 Ų | 137 | 136 Ų | 136 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -84.9 | 144 | -169.3 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 198 | G | 32.9 | Very low | 38.3 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | | 111.6 | 154.1 | 117.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 199 | L | 38.3 | Very low | 38.3 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | | | trans | 75.5 | 125.4 | 156.4 | -51.7 | -179.1 | 0 | 0 | 0 | 120.3 | | |
| 200 | F | 40.4 | Very low | 38.4 | Very low | 203 Ų | 203 | 129 Ų | 129 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | trans | -83.6 | -179.6 | 159.2 | -65 | -84.6 | 0 | 0 | 0 | 110.5 | | |
| 201 | P | 52.7 | Low | 38.2 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | cis | -128 | 172.8 | -37.5 | 31.6 | -15.3 | 0 | 0 | 0 | 112.1 | | |
| 202 | S | 36.3 | Very low | 37.6 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | | | trans | -153.9 | 165.9 | 152.7 | -159.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 203 | S | 33.8 | Very low | 36.8 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | trans | -104.6 | -177.6 | -167.8 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 204 | C | 30.2 | Very low | 36.5 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | | | trans | 84.3 | 93.2 | 159.5 | -55.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 205 | S | 34.8 | Very low | 36.8 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | | | | 25.5 | 110.8 | 129.4 | 178.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 206 | S | 31.6 | Very low | 37.1 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | | -164.3 | 145.6 | 125.1 | -82.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 207 | S | 38 | Very low | 37.4 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 137.6 | 178.6 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 208 | P | 44.4 | Very low | 37.7 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 151.4 | 157.8 | 33.8 | -30.5 | 0 | 0 | 0 | 111.6 | | |
| 209 | A | 35.4 | Very low | 38 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 169.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 210 | T | 37.9 | Very low | 38 | Very low | 145 Ų | 145 | 138 Ų | 138 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | | 178.2 | 170 | 119.2 | 30.1 | 0 | 0 | 0 | 0 | 112 | | |
| 211 | L | 35.5 | Very low | 38.2 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | trans | -110.9 | 152.5 | -177.5 | -68.3 | 164.9 | 0 | 0 | 0 | 110.9 | | |
| 212 | S | 33.6 | Very low | 37.6 | Very low | 124 Ų | 124 | 142 Ų | 142 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | 64.9 | 149.6 | 172.5 | -74.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 213 | S | 32.6 | Very low | 37.9 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | | | cis | -159.9 | 131.6 | -20.1 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 214 | C | 30.5 | Very low | 38.4 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -176.4 | 142.9 | 131.6 | -96.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 215 | R | 41.1 | Very low | 38.8 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -133 | 160.9 | 170.1 | -103.1 | -171.1 | 176.3 | -148.3 | -2.8 | 106.5 | | |
| 216 | P | 45.2 | Very low | 39.3 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | cis | -136.1 | 137.8 | 29.8 | 36.4 | -17.4 | 0 | 0 | 0 | 116.9 | | |
| 217 | L | 41.9 | Very low | 40.1 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -101.4 | 149.6 | 148.7 | -74.3 | 178.6 | 0 | 0 | 0 | 110.1 | Q219 | L217-Q219 PolarHBondContact O-N 3.38Š|
| 218 | Q | 44 | Very low | 40.6 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -69.4 | 126.3 | -163.1 | -59.3 | 177.9 | 3.3 | 0 | 0 | 112.6 | | |
| 219 | Q | 39.8 | Very low | 40.3 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 56% | 0.561 | 79% | 0.793 | S | S | * | * | | | trans | -123.9 | 87.5 | 168 | -71.4 | -168.5 | -42.1 | 0 | 0 | 110.3 | L217 R221 | L217-Q219 PolarHBondContact O-N 3.38Å; Q219-R221 VanDerWaalsContact C-N 3.27Å; Q219-R221 PolarHBondContact O-N 3.35Å |
| 220 | R | 39.3 | Very low | 40.8 | Very low | 225 Ų | 225 | 151.3 Ų | 151.3 | 85% | 0.849 | 80% | 0.798 | S | S | * | * | | | trans | -68.6 | 81.7 | 170.1 | -175.2 | -171.5 | -67.6 | 179.2 | -0.9 | 109.6 | | |
| 221 | R | 43.8 | Very low | 41.1 | Very low | 215 Ų | 215 | 149.2 Ų | 149.2 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -75.1 | 135 | 170.4 | -77.4 | -173.3 | 168.1 | -174.8 | -4.3 | 109.9 | Q219 S223 | Q219-R221 VanDerWaalsContact C-N 3.27Å; Q219-R221 PolarHBondContact O-N 3.35Å; R221-S223 PolarHBondContact O-N 3.08Å |
| 222 | F | 39.8 | Very low | 41.3 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | trans | -74.1 | 121.5 | 171.1 | -68.3 | -94.6 | 0 | 0 | 0 | 109.5 | | |
| 223 | S | 43.4 | Very low | 41.6 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -87.3 | 106.2 | 168.3 | 53.9 | 0 | 0 | 0 | 0 | 109.6 | R221 | R221-S223 PolarHBondContact O-N 3.08Š|
| 224 | L | 43.3 | Very low | 42.3 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -89.1 | 126.5 | 167.5 | -65.8 | 177.3 | 0 | 0 | 0 | 109 | | |
| 225 | S | 39.2 | Very low | 42.4 | Very low | 107 Ų | 107 | 149 Ų | 149 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -85.4 | 130.3 | 175.8 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | V227 | S225-V227 PolarHBondContact O-N 2.99Š|
| 226 | P | 45.9 | Very low | 42.8 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | | | trans | -72.5 | 114.3 | 173.1 | -13 | 28.5 | 0 | 0 | 0 | 110.8 | | |
| 227 | V | 47.7 | Very low | 42.5 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -81.6 | 115.9 | 164 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | S225 I229 | S225-V227 PolarHBondContact O-N 2.99Å; V227-I229 PolarHBondContact O-N 3.02Å |
| 228 | H | 47.5 | Very low | 42.4 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | trans | -68.4 | 118.5 | 174.8 | -65.6 | 95.6 | 0 | 0 | 0 | 109.9 | | |
| 229 | I | 39.7 | Very low | 42.1 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | | | trans | -97 | 114.6 | 172.6 | -58.7 | 177.1 | 0 | 0 | 0 | 107.7 | V227 | V227-I229 PolarHBondContact O-N 3.02Š|
| 230 | L | 46 | Very low | 41.9 | Very low | 160 Ų | 160 | 141 Ų | 141 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 125.4 | 175.7 | -171.3 | 73.3 | 0 | 0 | 0 | 109.7 | | |
| 231 | P | 44.5 | Very low | 41.8 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 138.7 | 176 | 31.4 | -33.4 | 0 | 0 | 0 | 111.2 | | |
| 232 | P | 38.7 | Very low | 41.5 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 131 | 172.2 | 30.7 | -32.7 | 0 | 0 | 0 | 111.2 | | |
| 233 | Q | 39.5 | Very low | 41.3 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 154.3 | 162 | -82.3 | -76.7 | -21.6 | 0 | 0 | 109.6 | | |
| 234 | P | 47.5 | Very low | 40.8 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | | | trans | -99.5 | -173.7 | -165.8 | 40.2 | -35.8 | 0 | 0 | 0 | 114 | | |
| 235 | S | 33.5 | Very low | 40.9 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | 82.7 | 157.2 | 172.9 | 83.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 236 | P | 47.7 | Very low | 40.6 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | cis | -124.8 | -179.3 | -41.2 | 33.5 | -18.5 | 0 | 0 | 0 | 112.5 | | |
| 237 | A | 40.6 | Very low | 40.4 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -72.1 | 152.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 238 | L | 38.8 | Very low | 40.3 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | | | trans | -141 | 137.2 | 169.7 | -102.8 | 174.3 | 0 | 0 | 0 | 113.5 | | |
| 239 | A | 37.2 | Very low | 39.9 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | 45.4 | 108 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 240 | S | 37.4 | Very low | 40 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -73.8 | 146.1 | 152.9 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 241 | R | 36.1 | Very low | 39.7 | Very low | 212 Ų | 212 | 131.4 Ų | 131.4 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | -172.2 | 157.3 | 152.8 | -109 | 170 | -153.1 | -125 | 3.8 | 113 | | |
| 242 | Y | 38.1 | Very low | 39.8 | Very low | 197 Ų | 197 | 132.6 Ų | 132.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | 67 | 112.2 | 179.5 | -56.5 | -77.3 | 0 | 0 | 0 | 114.8 | | |
| 243 | I | 35.8 | Very low | 39.6 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | cis | 76 | 117.6 | 43.4 | -53.9 | -69.3 | 0 | 0 | 0 | 112.9 | | |
| 244 | G | 31.6 | Very low | 40.1 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 162 | 88.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 245 | M | 45.2 | Very low | 39.3 | Very low | 185 Ų | 185 | 130.1 Ų | 130.1 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -107.9 | 132.2 | 174.3 | -71.2 | 154.4 | 49.5 | 0 | 0 | 109.7 | | |
| 246 | E | 33.6 | Very low | 39.3 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -173.5 | 157.7 | 144.3 | -115.9 | -68.9 | 76.1 | 0 | 0 | 111.9 | | |
| 247 | A | 42.6 | Very low | 38.7 | Very low | 78 Ų | 78 | 129.4 Ų | 129.4 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | | | trans | -153.9 | 145.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 248 | P | 45.1 | Very low | 38.5 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | | -146.6 | 166.7 | 115.9 | 37.3 | -23 | 0 | 0 | 0 | 115.4 | | |
| 249 | A | 38.6 | Very low | 38.2 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | -84 | 168.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 250 | P | 43.2 | Very low | 38.7 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | -142.8 | 171.5 | 88.1 | 39.4 | -25.3 | 0 | 0 | 0 | 114.9 | | |
| 251 | S | 39.5 | Very low | 39.3 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -84.9 | 162.8 | 163.4 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 252 | P | 45.3 | Very low | 39.5 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | -145.3 | 167.3 | 89.6 | 38.6 | -22.6 | 0 | 0 | 0 | 115.8 | | |
| 253 | T | 35.9 | Very low | 39.9 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -108.4 | 176.1 | 164.4 | 44.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 254 | P | 49.3 | Very low | 40.1 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | cis | -129 | -165.2 | -2.6 | 35.7 | -15.1 | 0 | 0 | 0 | 114.1 | | |
| 255 | S | 30.8 | Very low | 41.2 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 100.1 | 114.9 | 151 | -58.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 256 | S | 33.3 | Very low | 41.3 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | 36.5 | 109.4 | 135.7 | -164.9 | 0 | 0 | 0 | 0 | 121 | | |
| 257 | A | 34.3 | Very low | 42 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | | -163.3 | 158.3 | 123.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 258 | C | 36 | Very low | 42.5 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -66.7 | 131.8 | 177 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 259 | S | 33.1 | Very low | 42.8 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -158.4 | 117.5 | 164.8 | -82.1 | 0 | 0 | 0 | 0 | 111.2 | P261 | S259-P261 WeakPolarHBondContact O-CD 3.48Š|
| 260 | T | 48.3 | Very low | 43.6 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 117.3 | 178.1 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 261 | P | 48.7 | Very low | 44 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 134.3 | 167.4 | 29.4 | -32.6 | 0 | 0 | 0 | 110.3 | S259 | S259-P261 WeakPolarHBondContact O-CD 3.48Š|
| 262 | S | 40.4 | Very low | 44.8 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 159.2 | -173.3 | -172.2 | 0 | 0 | 0 | 0 | 114 | S264 | S262-S264 VanDerWaalsContact C-N 3.27Å; S262-S264 PolarHBondContact O-N 3.16Å |
| 263 | S | 47.2 | Very low | 45.1 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -70.1 | 76.8 | 177.7 | -168.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 264 | S | 40.8 | Very low | 46 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -74.8 | 141.8 | 169 | -168.6 | 0 | 0 | 0 | 0 | 110.8 | S262 R266 | S262-S264 VanDerWaalsContact C-N 3.27Å; S262-S264 PolarHBondContact O-N 3.16Å; S264-R266 PolarHBondContact O-N 2.82Å |
| 265 | R | 54.4 | Low | 45.8 | Very low | 244 Ų | 244 | 145.3 Ų | 145.3 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | trans | -67.9 | 83 | -163.8 | -58.3 | 172.9 | -164.3 | -115.9 | -0.5 | 112.4 | V267 | R265-V267 PolarHBondContact O-N 2.78Š|
| 266 | R | 47.4 | Very low | 46.9 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | | | trans | -74.9 | 110.9 | 168.5 | -74 | -168.2 | -71.9 | -161.7 | -2 | 110 | S264 | S264-R266 PolarHBondContact O-N 2.82Š|
| 267 | V | 47.8 | Very low | 48.1 | Very low | 123 Ų | 123 | 147 Ų | 147 | 75% | 0.745 | 81% | 0.807 | S | S | * | * | | | trans | -13.6 | 137.7 | 159 | -176.5 | 0 | 0 | 0 | 0 | 114 | R265 | R265-V267 PolarHBondContact O-N 2.78Š|
| 268 | L | 52.3 | Low | 49.6 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | | | trans | -36 | 130.7 | 170.6 | -67.1 | 167.9 | 0 | 0 | 0 | 111 | L270 | L268-L270 PolarHBondContact O-N 3.16Š|
| 269 | P | 52 | Low | 50.3 | Low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | trans | -58.2 | 118.9 | 177.4 | 24.7 | -33.1 | 0 | 0 | 0 | 108.2 | R271 | P269-R271 PolarHBondContact O-N 3.4Š|
| 270 | L | 55 | Low | 51.5 | Low | 155 Ų | 155 | 149.9 Ų | 149.9 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -53.4 | 122.1 | 172.1 | -79 | 86.4 | 0 | 0 | 0 | 106.5 | L268 L272 | L268-L270 PolarHBondContact O-N 3.16Å; L270-L272 PolarHBondContact O-N 2.83Å |
| 271 | R | 51.6 | Low | 51.9 | Low | 242 Ų | 242 | 149.2 Ų | 149.2 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | | | trans | -54.6 | 112.8 | 178 | -76.6 | -178.7 | 172.7 | 171.7 | -2.1 | 107.1 | P269 | P269-R271 PolarHBondContact O-N 3.4Š|
| 272 | L | 57 | Low | 52.1 | Low | 156 Ų | 156 | 150.4 Ų | 150.4 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | trans | -45.4 | 128.7 | 172.6 | -72.2 | 167.6 | 0 | 0 | 0 | 107.5 | L270 R274 | L270-L272 PolarHBondContact O-N 2.83Å; L272-R274 VanDerWaalsContact C-N 3.33Å; L272-R274 PolarHBondContact O-N 3.05Å |
| 273 | P | 52.3 | Low | 53 | Low | 119 Ų | 119 | 154 Ų | 154 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -60.1 | 102.3 | 179.1 | 24.4 | -32.6 | 0 | 0 | 0 | 107.1 | C275 | P273-C275 PolarHBondContact O-N 2.92Š|
| 274 | R | 54 | Low | 53.7 | Low | 230 Ų | 230 | 156.3 Ų | 156.3 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | | | trans | -57 | 107.6 | -170.7 | 174.7 | -179.7 | 175.4 | 85.4 | -2 | 107.1 | L272 H276 | L272-R274 VanDerWaalsContact C-N 3.33Å; L272-R274 PolarHBondContact O-N 3.05Å; R274-H276 PolarHBondContact O-N 2.76Å |
| 275 | C | 45.9 | Very low | 54.4 | Low | 118 Ų | 118 | 157.9 Ų | 157.9 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -47.9 | 110.3 | -172.4 | -61.4 | 0 | 0 | 0 | 0 | 108.8 | P273 S277 | P273-C275 PolarHBondContact O-N 2.92Å; C275-S277 PolarHBondContact O-N 2.79Å |
| 276 | H | 52.8 | Low | 54.6 | Low | 169 Ų | 169 | 150 Ų | 150 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -76.9 | 81.1 | -176 | -163.1 | -39.8 | 0 | 0 | 0 | 107.1 | R274 Q278 | R274-H276 PolarHBondContact O-N 2.76Å; H276-Q278 PolarHBondContact O-N 3.11Å; H276-Q278 VanDerWaalsContact O-N 3.07Å |
| 277 | S | 59 | Low | 55.2 | Low | 97 Ų | 97 | 145.2 Ų | 145.2 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | trans | -44.5 | 121.7 | 163.8 | 52.7 | 0 | 0 | 0 | 0 | 106.8 | C275 | C275-S277 PolarHBondContact O-N 2.79Š|
| 278 | Q | 64.7 | Low | 56 | Low | 165 Ų | 165 | 148.8 Ų | 148.8 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | | | trans | -53.6 | 142.2 | 174.1 | -71.9 | -179.8 | -28.7 | 0 | 0 | 107.9 | H276 C280 | H276-Q278 PolarHBondContact O-N 3.11Å; H276-Q278 VanDerWaalsContact O-N 3.07Å; Q278-C280 PolarHBondContact O-N 3.02Å |
| 279 | P | 51.9 | Low | 56.7 | Low | 113 Ų | 113 | 152.5 Ų | 152.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -57.4 | 113.7 | 170.6 | 25.7 | -32.6 | 0 | 0 | 0 | 107.3 | D281 | P279-D281 PolarHBondContact O-N 3.12Š|
| 280 | C | 58.4 | Low | 57.1 | Low | 109 Ų | 109 | 158.5 Ų | 158.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -56.6 | 116.4 | 174.4 | -54.8 | 0 | 0 | 0 | 0 | 106.8 | Q278 L282 | Q278-C280 PolarHBondContact O-N 3.02Å; C280-L282 WeakPolarHBondContact O-CG 3.46Å; C280-L282 PolarHBondContact O-N 3.35Å |
| 281 | D | 55.9 | Low | 57.4 | Low | 117 Ų | 117 | 159.1 Ų | 159.1 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | | | trans | -56.3 | 105.5 | -172.6 | -178.5 | 7.4 | 0 | 0 | 0 | 109.4 | P279 R283 | P279-D281 PolarHBondContact O-N 3.12Å; D281-R283 HydrophobicContact CB-CG 4.19Å; D281-R283 PolarHBondContact O-N 3.27Å; D281-R283 VanDerWaalsContact OD1-CG 3.26Å; D281-R283 WeakPolarHBondContact OD1-CG 3.43Å; D281-R283 WeakPolarHBondContact OD2-CD 3.29Å; D281-R283 WeakPolarHBondContact OD2-CG 3.44Å; D281-R283 IonicContact OD2-NE 2.63Å; D281-R283 IonicContact OD2-NH1 3.94Å |
| 282 | L | 52.7 | Low | 57.5 | Low | 152 Ų | 152 | 152 Ų | 152 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | trans | -77 | 58.6 | -175.9 | -71.2 | -178.7 | 0 | 0 | 0 | 110.2 | C280 K284 | C280-L282 WeakPolarHBondContact O-CG 3.46Å; C280-L282 PolarHBondContact O-N 3.35Å; L282-K284 PolarHBondContact O-N 2.83Å |
| 283 | R | 60.2 | Low | 57.6 | Low | 190 Ų | 190 | 149.1 Ų | 149.1 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | | | trans | -67.3 | 78.2 | 172.5 | -54.8 | -172.2 | 82.8 | 126.3 | -7.9 | 110.1 | D281 | D281-R283 HydrophobicContact CB-CG 4.19Å; D281-R283 PolarHBondContact O-N 3.27Å; D281-R283 VanDerWaalsContact OD1-CG 3.26Å; D281-R283 WeakPolarHBondContact OD1-CG 3.43Å; D281-R283 WeakPolarHBondContact OD2-CD 3.29Å; D281-R283 WeakPolarHBondContact OD2-CG 3.44Å; D281-R283 IonicContact OD2-NE 2.63Å; D281-R283 IonicContact OD2-NH1 3.94Å |
| 284 | K | 61.3 | Low | 57.8 | Low | 170 Ų | 170 | 150.2 Ų | 150.2 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | 43.6 | 95.4 | 163.5 | -60.8 | -176.4 | 179.2 | -176.8 | 0 | 114.2 | L282 G286 L287 | L282-K284 PolarHBondContact O-N 2.83Å; K284-G286 PolarHBondContact O-N 2.89Å; K284-L287 PolarHBondContact O-N 2.82Å; K284-L287 VanDerWaalsContact O-N 3.11Å |
| 285 | P | 55.2 | Low | 57.9 | Low | 137 Ų | 137 | 143.7 Ų | 143.7 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.2 | 110.5 | 169.4 | -25.3 | 34.5 | 0 | 0 | 0 | 110.3 | | |
| 286 | G | 59.5 | Low | 58.2 | Low | 78 Ų | 78 | 142.9 Ų | 142.9 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.7 | -30.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K284 K288 | K284-G286 PolarHBondContact O-N 2.89Å; G286-K288 VanDerWaalsContact C-N 3.33Å; G286-K288 PolarHBondContact O-N 2.83Å |
| 287 | L | 60.9 | Low | 58.4 | Low | 140 Ų | 140 | 140.3 Ų | 140.3 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | | | trans | -80.9 | 81.7 | 175 | -166.9 | 67.8 | 0 | 0 | 0 | 110.8 | K284 R289 | K284-L287 PolarHBondContact O-N 2.82Å; K284-L287 VanDerWaalsContact O-N 3.11Å; L287-R289 PolarHBondContact O-N 3.18Å |
| 288 | K | 64 | Low | 58.3 | Low | 197 Ų | 197 | 142.1 Ų | 142.1 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | | | trans | -53.1 | 109.3 | 170.1 | -177.3 | 175.3 | 180 | 179.6 | 0 | 108.4 | G286 R290 | G286-K288 VanDerWaalsContact C-N 3.33Å; G286-K288 PolarHBondContact O-N 2.83Å; K288-R290 PolarHBondContact O-N 3.43Å |
| 289 | R | 66.1 | Low | 57.8 | Low | 231 Ų | 231 | 143.4 Ų | 143.4 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | | | trans | -52.2 | 125.8 | 173.6 | -72.1 | -179.9 | 66.5 | 172.4 | -0.7 | 107.5 | L287 H291 | L287-R289 PolarHBondContact O-N 3.18Å; R289-H291 PolarHBondContact O-N 3.32Å |
| 290 | R | 61 | Low | 58.5 | Low | 244 Ų | 244 | 143.8 Ų | 143.8 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | | | trans | -59.3 | 128.4 | 166.1 | -70.8 | -172.9 | 174.5 | -163.7 | -3.1 | 106.4 | K288 D292 | K288-R290 PolarHBondContact O-N 3.43Å; R290-D292 PolarHBondContact O-N 2.95Å |
| 291 | H | 60.4 | Low | 59.2 | Low | 167 Ų | 167 | 149.3 Ų | 149.3 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | trans | -70.1 | 109.5 | 169.6 | -176.8 | -67 | 0 | 0 | 0 | 105.8 | R289 P293 | R289-H291 PolarHBondContact O-N 3.32Å; H291-P293 WeakPolarHBondContact O-CD 3.37Å |
| 292 | D | 54.5 | Low | 60.3 | Low | 94 Ų | 94 | 149.4 Ų | 149.4 | 50% | 0.503 | 75% | 0.746 | S | S | . | * | | | trans | -70.1 | 113.6 | 174 | -169.4 | -53.5 | 0 | 0 | 0 | 107.2 | R290 D294 T295 | R290-D292 PolarHBondContact O-N 2.95Å; D292-D294 VanDerWaalsContact C-N 3.28Å; D292-D294 PolarHBondContact OD1-N 3.08Å; D292-T295 WeakPolarHBondContact CB-OG1 3.46Å; D292-T295 PolarHBondContact OD1-N 2.98Å; D292-T295 PolarHBondContact OD1-OG1 3.48Å |
| 293 | P | 57.8 | Low | 61.5 | Low | 94 Ų | 94 | 145.6 Ų | 145.6 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -72.7 | -25.6 | -173.4 | 29.5 | -32.6 | 0 | 0 | 0 | 112.2 | H291 | H291-P293 WeakPolarHBondContact O-CD 3.37Š|
| 294 | D | 57.1 | Low | 62.6 | Low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -95.3 | -10.1 | -164.4 | -55 | -39 | 0 | 0 | 0 | 112.7 | D292 | D292-D294 VanDerWaalsContact C-N 3.28Å; D292-D294 PolarHBondContact OD1-N 3.08Å |
| 295 | T | 57.5 | Low | 63.7 | Low | 92 Ų | 92 | 137.2 Ų | 137.2 | 56% | 0.564 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -69.9 | -41.9 | -174.5 | -48.7 | 0 | 0 | 0 | 0 | 113 | D292 | D292-T295 WeakPolarHBondContact CB-OG1 3.46Å; D292-T295 PolarHBondContact OD1-N 2.98Å; D292-T295 PolarHBondContact OD1-OG1 3.48Å |
| 296 | L | 52.1 | Low | 65.1 | Low | 102 Ų | 102 | 137.4 Ų | 137.4 | 53% | 0.534 | 71% | 0.707 | S | S | . | * | | | trans | -154.4 | 105.5 | -166.5 | -79.3 | 164.4 | 0 | 0 | 0 | 113.9 | N298 Y299 | L296-N298 PolarHBondContact O-N 3.1Å; L296-Y299 HydrophobicContact CB-CD2 3.97Å; L296-Y299 HydrophobicContact CD1-CD2 3.69Å; L296-Y299 HydrophobicContact CD1-CE2 3.67Å; L296-Y299 HydrophobicContact CD2-CD2 4.21Å; L296-Y299 HydrophobicContact CD2-CE2 3.97Å; L296-Y299 HydrophobicContact CG-CD2 4.15Å; L296-Y299 HydrophobicContact CG-CE2 4.26Å |
| 297 | P | 55.5 | Low | 66 | Low | 114 Ų | 114 | 138.1 Ų | 138.1 | 74% | 0.74 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -8.9 | 176.7 | 27 | -33.3 | 0 | 0 | 0 | 115 | | |
| 298 | N | 57.3 | Low | 66.9 | Low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 5.2 | -166.4 | -72.1 | 27.2 | 0 | 0 | 0 | 115.6 | L296 | L296-N298 PolarHBondContact O-N 3.1Š|
| 299 | Y | 55.2 | Low | 67.5 | Low | 191 Ų | 191 | 134.3 Ų | 134.3 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | | | trans | -101.5 | 46.4 | 176.4 | -73.6 | -89 | 0 | 0 | 0 | 113 | L296 R301 | L296-Y299 HydrophobicContact CB-CD2 3.97Å; L296-Y299 HydrophobicContact CD1-CD2 3.69Å; L296-Y299 HydrophobicContact CD1-CE2 3.67Å; L296-Y299 HydrophobicContact CD2-CD2 4.21Å; L296-Y299 HydrophobicContact CD2-CE2 3.97Å; L296-Y299 HydrophobicContact CG-CD2 4.15Å; L296-Y299 HydrophobicContact CG-CE2 4.26Å; Y299-R301 PolarHBondContact O-N 3.03Å |
| 300 | T | 66.8 | Low | 67.9 | Low | 122 Ų | 122 | 128 Ų | 128 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | | | trans | -57.1 | 103.9 | 163.6 | -53.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 301 | R | 72.2 | Confident | 68.7 | Low | 224 Ų | 224 | 123.5 Ų | 123.5 | 85% | 0.845 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 127.6 | 173.6 | -178.2 | -173.7 | -175.3 | -148.3 | 1.2 | 108.3 | Y299 G303 | Y299-R301 PolarHBondContact O-N 3.03Å; R301-G303 PolarHBondContact O-N 3.38Å |
| 302 | P | 78.8 | Confident | 69 | Low | 120 Ų | 120 | 122.9 Ų | 122.9 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 119.8 | 178.5 | -30 | 36.1 | 0 | 0 | 0 | 111 | | |
| 303 | G | 78.5 | Confident | 69.5 | Low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -63 | 135.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R301 D305 | R301-G303 PolarHBondContact O-N 3.38Å; G303-D305 PolarHBondContact O-N 3.31Å; G303-D305 VanDerWaalsContact O-N 3.1Å |
| 304 | L | 83.3 | Confident | 69.4 | Low | 123 Ų | 123 | 130.6 Ų | 130.6 | 64% | 0.644 | 69% | 0.685 | S | S | * | * | | | trans | -75.2 | 101.9 | 173.2 | -176 | 57.1 | 0 | 0 | 0 | 108.3 | F306 M309 | L304-F306 VanDerWaalsContact O-CD2 3.29Å; L304-F306 WeakPolarHBondContact O-CD2 3.41Å; L304-F306 PolarHBondContact O-N 2.98Å; L304-M309 HydrophobicContact CD1-CE 3.99Å; L304-M309 HydrophobicContact CD2-CE 3.54Å; L304-M309 HydrophobicContact CG-CE 3.59Å |
| 305 | D | 84.1 | Confident | 69 | Low | 61 Ų | 61 | 126.2 Ų | 126.2 | 33% | 0.326 | 67% | 0.674 | S | S | . | * | | | trans | -69.7 | 97.8 | -179.2 | -173.6 | -28.2 | 0 | 0 | 0 | 110.3 | G303 S307 K308 M309 | G303-D305 PolarHBondContact O-N 3.31Å; G303-D305 VanDerWaalsContact O-N 3.1Å; D305-S307 VanDerWaalsContact C-N 3.28Å; D305-S307 PolarHBondContact O-N 3.07Å; D305-S307 WeakPolarHBondContact OD1-CB 3.36Å; D305-S307 PolarHBondContact OD1-N 3.42Å; D305-K308 HydrophobicContact CB-CB 4.19Å; D305-K308 HydrophobicContact CB-CD 4.19Å; D305-K308 HydrophobicContact CB-CG 4.24Å; D305-K308 PolarHBondContact O-N 3.06Å; D305-K308 PolarHBondContact OD1-N 2.63Å; D305-K308 WeakPolarHBondContact OD2-CD 3.48Å; D305-K308 WeakPolarHBondContact OD2-CE 3.46Å; D305-K308 WeakPolarHBondContact OD2-CG 3.38Å; D305-K308 IonicContact OD2-NZ 3.5Å; D305-K308 PolarHBondContact OD2-NZ 3.21Å; D305-M309 PolarHBondContact O-N 3.15Å; D305-M309 VanDerWaalsContact O-N 3.12Å |
| 306 | F | 83.8 | Confident | 68.6 | Low | 141 Ų | 141 | 129.9 Ų | 129.9 | 62% | 0.618 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -62.4 | -34.8 | 178.8 | -69.7 | -80.9 | 0 | 0 | 0 | 112.2 | L304 K308 M309 T310 | L304-F306 VanDerWaalsContact O-CD2 3.29Å; L304-F306 WeakPolarHBondContact O-CD2 3.41Å; L304-F306 PolarHBondContact O-N 2.98Å; F306-K308 VanDerWaalsContact C-N 3.3Å; F306-K308 PolarHBondContact O-N 2.99Å; F306-M309 HydrophobicContact CD1-CE 3.6Å; F306-M309 HydrophobicContact CE1-CE 3.81Å; F306-M309 HydrophobicContact CG-CE 4.44Å; F306-M309 CarbonylContact O-C 3.56Å; F306-M309 WeakPolarHBondContact O-CA 3.35Å; F306-M309 WeakPolarHBondContact O-CB 3.37Å; F306-M309 PolarHBondContact O-N 2.75Å; F306-T310 PolarHBondContact O-N 3.19Å; F306-T310 PolarHBondContact O-OG1 3.18Å; F306-T310 VanDerWaalsContact O-OG1 3.08Å |
| 307 | S | 79 | Confident | 68.3 | Low | 93 Ų | 93 | 130.2 Ų | 130.2 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -63.7 | -35.6 | 178.5 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | D305 T310 Q311 | D305-S307 VanDerWaalsContact C-N 3.28Å; D305-S307 PolarHBondContact O-N 3.07Å; D305-S307 WeakPolarHBondContact OD1-CB 3.36Å; D305-S307 PolarHBondContact OD1-N 3.42Å; S307-T310 PolarHBondContact O-OG1 2.93Å; S307-Q311 PolarHBondContact O-N 3.36Å |
| 308 | K | 79.9 | Confident | 67.9 | Low | 146 Ų | 146 | 132.1 Ų | 132.1 | 64% | 0.635 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.6 | -35 | 169.9 | -71.1 | -176.7 | -177.9 | 99.4 | 0 | 112.6 | D305 F306 Q311 | D305-K308 HydrophobicContact CB-CB 4.19Å; D305-K308 HydrophobicContact CB-CD 4.19Å; D305-K308 HydrophobicContact CB-CG 4.24Å; D305-K308 PolarHBondContact O-N 3.06Å; D305-K308 PolarHBondContact OD1-N 2.63Å; D305-K308 WeakPolarHBondContact OD2-CD 3.48Å; D305-K308 WeakPolarHBondContact OD2-CE 3.46Å; D305-K308 WeakPolarHBondContact OD2-CG 3.38Å; D305-K308 IonicContact OD2-NZ 3.5Å; D305-K308 PolarHBondContact OD2-NZ 3.21Å; F306-K308 VanDerWaalsContact C-N 3.3Å; F306-K308 PolarHBondContact O-N 2.99Å; K308-Q311 PolarHBondContact O-N 3.04Å |
| 309 | M | 77.5 | Confident | 67.3 | Low | 111 Ų | 111 | 131.8 Ų | 131.8 | 55% | 0.547 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -68.1 | -36.3 | 177.1 | -160.1 | -166.3 | -42.2 | 0 | 0 | 112.3 | L304 D305 F306 Q311 | L304-M309 HydrophobicContact CD1-CE 3.99Å; L304-M309 HydrophobicContact CD2-CE 3.54Å; L304-M309 HydrophobicContact CG-CE 3.59Å; D305-M309 PolarHBondContact O-N 3.15Å; D305-M309 VanDerWaalsContact O-N 3.12Å; F306-M309 HydrophobicContact CD1-CE 3.6Å; F306-M309 HydrophobicContact CE1-CE 3.81Å; F306-M309 HydrophobicContact CG-CE 4.44Å; F306-M309 CarbonylContact O-C 3.56Å; F306-M309 WeakPolarHBondContact O-CA 3.35Å; F306-M309 WeakPolarHBondContact O-CB 3.37Å; F306-M309 PolarHBondContact O-N 2.75Å; M309-Q311 VanDerWaalsContact C-N 3.32Å |
| 310 | T | 74.3 | Confident | 66.6 | Low | 98 Ų | 98 | 128.2 Ų | 128.2 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 9.7 | 176.3 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | F306 S307 I312 | F306-T310 PolarHBondContact O-N 3.19Å; F306-T310 PolarHBondContact O-OG1 3.18Å; F306-T310 VanDerWaalsContact O-OG1 3.08Å; S307-T310 PolarHBondContact O-OG1 2.93Å; T310-I312 WeakPolarHBondContact O-CG1 3.38Å; T310-I312 PolarHBondContact O-N 3.28Å |
| 311 | Q | 77.5 | Confident | 65.2 | Low | 151 Ų | 151 | 125.6 Ų | 125.6 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | | | trans | -76.8 | 64.1 | 173.4 | -161.7 | 178.8 | 12.2 | 0 | 0 | 110.7 | S307 K308 M309 R313 | S307-Q311 PolarHBondContact O-N 3.36Å; K308-Q311 PolarHBondContact O-N 3.04Å; M309-Q311 VanDerWaalsContact C-N 3.32Å; Q311-R313 PolarHBondContact O-N 3.21Å; Q311-R313 VanDerWaalsContact O-N 3.14Å |
| 312 | I | 67.3 | Low | 63.7 | Low | 153 Ų | 153 | 119.6 Ų | 119.6 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | | | trans | -52 | 119.8 | 153.2 | 34 | 169.5 | 0 | 0 | 0 | 107.2 | T310 S314 | T310-I312 WeakPolarHBondContact O-CG1 3.38Å; T310-I312 PolarHBondContact O-N 3.28Å; I312-S314 PolarHBondContact O-N 3.05Å |
| 313 | R | 63.5 | Low | 61.7 | Low | 235 Ų | 235 | 118 Ų | 118 | 89% | 0.887 | 69% | 0.693 | S | S | * | * | | | trans | -60.9 | 102.9 | 175.5 | -179.6 | -177.7 | -176.4 | 130.3 | -1 | 107.4 | Q311 G315 | Q311-R313 PolarHBondContact O-N 3.21Å; Q311-R313 VanDerWaalsContact O-N 3.14Å; R313-G315 PolarHBondContact O-N 3.36Å |
| 314 | S | 55.5 | Low | 59.8 | Low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | | | trans | -65.4 | 79.8 | 165.2 | 56.2 | 0 | 0 | 0 | 0 | 107.8 | I312 E316 | I312-S314 PolarHBondContact O-N 3.05Å; S314-E316 PolarHBondContact O-N 2.93Å |
| 315 | G | 49.8 | Very low | 57.7 | Low | 52 Ų | 52 | 121 Ų | 121 | 54% | 0.536 | 71% | 0.706 | S | S | . | * | | | trans | -61.3 | 128 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | R313 | R313-G315 PolarHBondContact O-N 3.36Š|
| 316 | E | 48.8 | Very low | 55.6 | Low | 168 Ų | 168 | 125.8 Ų | 125.8 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | -35.4 | 131 | 154.9 | -70.2 | -63.1 | 136.9 | 0 | 0 | 109.1 | S314 L318 | S314-E316 PolarHBondContact O-N 2.93Å; E316-L318 VanDerWaalsContact C-N 3.33Å; E316-L318 PolarHBondContact O-N 3.25Å |
| 317 | P | 45.1 | Very low | 53.6 | Low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | | | trans | -62.8 | 100.5 | 176 | 26.6 | -32.5 | 0 | 0 | 0 | 107.4 | V319 | P317-V319 PolarHBondContact O-N 3.3Š|
| 318 | L | 47.1 | Very low | 51.9 | Low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | | | trans | -61.9 | 102.5 | 179.4 | -177.4 | 71 | 0 | 0 | 0 | 106.9 | E316 C320 | E316-L318 VanDerWaalsContact C-N 3.33Å; E316-L318 PolarHBondContact O-N 3.25Å; L318-C320 VanDerWaalsContact C-N 3.34Å; L318-C320 PolarHBondContact O-N 3.28Å |
| 319 | V | 44.5 | Very low | 49.7 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | | | trans | -59.7 | 100.6 | 178.9 | 175.8 | 0 | 0 | 0 | 0 | 107.2 | P317 G321 | P317-V319 PolarHBondContact O-N 3.3Å; V319-G321 VanDerWaalsContact C-N 3.31Å; V319-G321 PolarHBondContact O-N 3.33Å |
| 320 | C | 41.8 | Very low | 48.2 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | | | trans | -63.6 | 97.6 | 171.1 | -69.7 | 0 | 0 | 0 | 0 | 106.8 | L318 A322 | L318-C320 VanDerWaalsContact C-N 3.34Å; L318-C320 PolarHBondContact O-N 3.28Å; C320-A322 PolarHBondContact O-N 3.44Å |
| 321 | G | 38 | Very low | 46.2 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -55.4 | 110.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V319 A323 | V319-G321 VanDerWaalsContact C-N 3.31Å; V319-G321 PolarHBondContact O-N 3.33Å; G321-A323 PolarHBondContact O-N 3.44Å |
| 322 | A | 39.9 | Very low | 44.7 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -61 | 111.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | C320 V324 | C320-A322 PolarHBondContact O-N 3.44Å; A322-V324 PolarHBondContact O-N 3.17Å |
| 323 | A | 37.3 | Very low | 43.2 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | | | trans | -59.8 | 136.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G321 C325 | G321-A323 PolarHBondContact O-N 3.44Å; A323-C325 PolarHBondContact O-N 3.21Å |
| 324 | V | 38.7 | Very low | 42.2 | Very low | 135 Ų | 135 | 121.5 Ų | 121.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -56.6 | 103.7 | -171.1 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | A322 I326 | A322-V324 PolarHBondContact O-N 3.17Å; V324-I326 HydrophobicContact CG1-CG1 4.17Å |
| 325 | C | 37.5 | Very low | 41.4 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -82.3 | 116 | 162.4 | -66.4 | 0 | 0 | 0 | 0 | 107.3 | A323 | A323-C325 PolarHBondContact O-N 3.21Š|
| 326 | I | 40.7 | Very low | 41 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | | | trans | -72.5 | 138.8 | -173.4 | -64.6 | 177.6 | 0 | 0 | 0 | 109.8 | V324 | V324-I326 HydrophobicContact CG1-CG1 4.17Š|
| 327 | G | 41.5 | Very low | 40.3 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | -65.2 | 156.1 | -156.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 328 | L | 42.8 | Very low | 40.2 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | | | trans | -144.9 | 115.7 | 149.1 | -99.8 | 177.7 | 0 | 0 | 0 | 108.3 | | |
| 329 | E | 35.7 | Very low | 39.7 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -153.1 | 153.5 | 169.9 | -85.9 | -64.9 | 152.8 | 0 | 0 | 106.6 | | |
| 330 | P | 44 | Very low | 39.2 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | cis | -125.6 | 166.2 | -1.9 | 40.4 | -27 | 0 | 0 | 0 | 114.6 | | |
| 331 | V | 33.8 | Very low | 39.4 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | -130.5 | 122.5 | 155.3 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 332 | L | 45.2 | Very low | 39.7 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -67.2 | 126.2 | 177.9 | 176.6 | 66 | 0 | 0 | 0 | 111.2 | | |
| 333 | G | 35.4 | Very low | 39.9 | Very low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | trans | -155.5 | 114.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | F335 | G333-F335 PolarHBondContact O-N 3.06Š|
| 334 | D | 44 | Very low | 39.9 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -69.9 | 118.5 | -178.7 | -80.2 | -62.6 | 0 | 0 | 0 | 112.8 | | |
| 335 | F | 38.4 | Very low | 40.4 | Very low | 212 Ų | 212 | 137.2 Ų | 137.2 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | | | trans | -132.6 | 97 | 156.3 | -95.4 | -79.3 | 0 | 0 | 0 | 111.5 | G333 G337 | G333-F335 PolarHBondContact O-N 3.06Å; F335-G337 PolarHBondContact O-N 3.12Å |
| 336 | R | 40.8 | Very low | 40.4 | Very low | 234 Ų | 234 | 135.3 Ų | 135.3 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -81 | 75.1 | -177.2 | -168.2 | -174.7 | -168.8 | -78.9 | 1.9 | 111.9 | | |
| 337 | G | 34 | Very low | 40.6 | Very low | 73 Ų | 73 | 137.6 Ų | 137.6 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -111 | 114.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F335 | F335-G337 PolarHBondContact O-N 3.12Š|
| 338 | T | 43.8 | Very low | 40.5 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 58% | 0.583 | 79% | 0.787 | S | S | * | * | | | trans | -91 | -179.8 | 175.7 | 45.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 339 | F | 36.4 | Very low | 40.3 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | 82 | 96.3 | -179.3 | -42.1 | -63.2 | 0 | 0 | 0 | 113.2 | | |
| 340 | S | 33.1 | Very low | 41.2 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | | 84.4 | 100.2 | 56.8 | -172.9 | 0 | 0 | 0 | 0 | 113.1 | A342 | S340-A342 PolarHBondContact O-N 3.34Š|
| 341 | P | 46 | Very low | 41.3 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 90% | 0.903 | 77% | 0.77 | S | S | * | * | | | trans | -85.2 | 97.8 | -177.3 | 33 | -33 | 0 | 0 | 0 | 112.3 | | |
| 342 | A | 44.2 | Very low | 41.8 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 56% | 0.562 | 77% | 0.77 | S | S | * | * | | | trans | -152.6 | 58 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | S340 | S340-A342 PolarHBondContact O-N 3.34Š|
| 343 | D | 44 | Very low | 41.5 | Very low | 172 Ų | 172 | 134 Ų | 134 | 92% | 0.92 | 77% | 0.771 | S | S | * | * | | | trans | -128.6 | 87 | 163.1 | -78.5 | -57 | 0 | 0 | 0 | 107.9 | | |
| 344 | L | 38.9 | Very low | 41.9 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | cis | 78.7 | 75.4 | 49.7 | -150.5 | 148 | 0 | 0 | 0 | 113.6 | | |
| 345 | L | 48 | Very low | 41.8 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | trans | 60.3 | 65.8 | 139.8 | -160.3 | 69.9 | 0 | 0 | 0 | 117.2 | R347 | L345-R347 HydrophobicContact CD1-CG 3.87Å; L345-R347 HydrophobicContact CG-CB 4.32Å; L345-R347 HydrophobicContact CG-CG 3.94Å; L345-R347 PolarHBondContact O-N 3.29Å |
| 346 | G | 37.6 | Very low | 41.8 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | -65.6 | 59.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T348 | G346-T348 PolarHBondContact O-N 2.79Å; G346-T348 VanDerWaalsContact O-N 3.15Å |
| 347 | R | 44.6 | Very low | 41.9 | Very low | 210 Ų | 210 | 130.9 Ų | 130.9 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | trans | -81.1 | 77.6 | 175.3 | -92 | -176 | 162.7 | -168.3 | -5.2 | 111.1 | L345 S349 | L345-R347 HydrophobicContact CD1-CG 3.87Å; L345-R347 HydrophobicContact CG-CB 4.32Å; L345-R347 HydrophobicContact CG-CG 3.94Å; L345-R347 PolarHBondContact O-N 3.29Å; R347-S349 PolarHBondContact O-N 3.03Å |
| 348 | T | 40.3 | Very low | 42 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | -76.6 | 88.3 | 166.6 | 43.1 | 0 | 0 | 0 | 0 | 110.4 | G346 I350 | G346-T348 PolarHBondContact O-N 2.79Å; G346-T348 VanDerWaalsContact O-N 3.15Å; T348-I350 PolarHBondContact O-N 3.34Å |
| 349 | S | 38.9 | Very low | 41.9 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -63 | 115.8 | 170.3 | 180 | 0 | 0 | 0 | 0 | 109.9 | R347 G351 | R347-S349 PolarHBondContact O-N 3.03Å; S349-G351 PolarHBondContact O-N 3.43Å |
| 350 | I | 52.9 | Low | 42.4 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -72.9 | 99.6 | 172.2 | -37.2 | 175.8 | 0 | 0 | 0 | 107.7 | T348 | T348-I350 PolarHBondContact O-N 3.34Š|
| 351 | G | 46.6 | Very low | 42.8 | Very low | 42 Ų | 42 | 145.7 Ų | 145.7 | 43% | 0.433 | 81% | 0.806 | S | S | . | * | P | Polyproline II helix | trans | -66 | 148.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S349 L353 | S349-G351 PolarHBondContact O-N 3.43Å; G351-L353 PolarHBondContact O-N 3.44Å |
| 352 | P | 43.8 | Very low | 42.9 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 129.3 | 169 | 28 | -33.1 | 0 | 0 | 0 | 108.7 | S354 | P352-S354 PolarHBondContact O-N 3.06Š|
| 353 | L | 39.8 | Very low | 42.8 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 117 | 174.4 | -64.4 | 172.7 | 0 | 0 | 0 | 108.2 | G351 E355 | G351-L353 PolarHBondContact O-N 3.44Å; L353-E355 PolarHBondContact O-N 3.29Å |
| 354 | S | 43.9 | Very low | 42.5 | Very low | 113 Ų | 113 | 153 Ų | 153 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 124.9 | 170 | -68.1 | 0 | 0 | 0 | 0 | 109.6 | P352 S356 | P352-S354 PolarHBondContact O-N 3.06Å; S354-S356 PolarHBondContact O-N 2.89Å; S354-S356 VanDerWaalsContact O-N 3.17Å |
| 355 | E | 42 | Very low | 42.8 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | -67.9 | 103.5 | 162.2 | 53.3 | -153.2 | 103.1 | 0 | 0 | 108.7 | L353 | L353-E355 PolarHBondContact O-N 3.29Š|
| 356 | S | 39.1 | Very low | 42.1 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | trans | -105.3 | 110.3 | 174.4 | 59.8 | 0 | 0 | 0 | 0 | 109.9 | S354 | S354-S356 PolarHBondContact O-N 2.89Å; S354-S356 VanDerWaalsContact O-N 3.17Å |
| 357 | E | 41.4 | Very low | 42.4 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -50.8 | 140.5 | 168.2 | 55.8 | -141 | 85.6 | 0 | 0 | 113.1 | | |
| 358 | E | 37.6 | Very low | 42.4 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -108.1 | 99.5 | -175.8 | 55.6 | -167.9 | 133.6 | 0 | 0 | 111.3 | | |
| 359 | E | 40.3 | Very low | 42.4 | Very low | 192 Ų | 192 | 153 Ų | 153 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | trans | -86.5 | 142.7 | 161.5 | -72.4 | -161.2 | 128.5 | 0 | 0 | 110.4 | E361 | E359-E361 PolarHBondContact O-N 3.02Š|
| 360 | E | 47.5 | Very low | 42.8 | Very low | 198 Ų | 198 | 152.2 Ų | 152.2 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | | | trans | -74.5 | 118 | 177.5 | -63.4 | -176.9 | 110.9 | 0 | 0 | 111.3 | | |
| 361 | E | 40.9 | Very low | 42.2 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -146.9 | 160.8 | 148.4 | -127.2 | -179.3 | -145.9 | 0 | 0 | 114.8 | E359 | E359-E361 PolarHBondContact O-N 3.02Š|
| 362 | K | 49.6 | Very low | 42.4 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | | | trans | -118.7 | 92.2 | -148.3 | 174.9 | -165.7 | 170.9 | -174.8 | 0 | 111.3 | | |
| 363 | I | 42 | Very low | 42.7 | Very low | 155 Ų | 155 | 157.2 Ų | 157.2 | 80% | 0.795 | 82% | 0.824 | S | S | * | * | | | trans | -120.6 | 110.1 | -179.4 | -56.7 | -175.2 | 0 | 0 | 0 | 112.9 | | |
| 364 | H | 37.8 | Very low | 43.3 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 82% | 0.819 | 82% | 0.817 | S | S | * | * | | | trans | 23.2 | 121.7 | 146.5 | -153.3 | -80 | 0 | 0 | 0 | 120.5 | G366 | H364-G366 PolarHBondContact O-N 3.11Š|
| 365 | M | 43.7 | Very low | 43.8 | Very low | 161 Ų | 161 | 154 Ų | 154 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | | | trans | -50 | 129.5 | 165.7 | -107.6 | -64.2 | -58.8 | 0 | 0 | 112.8 | | |
| 366 | G | 33.4 | Very low | 44.2 | Very low | 66 Ų | 66 | 153 Ų | 153 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | | | trans | -140.6 | 135.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H364 | H364-G366 PolarHBondContact O-N 3.11Š|
| 367 | M | 43.9 | Very low | 45.4 | Very low | 154 Ų | 154 | 156 Ų | 156 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | | | trans | -96.6 | 110.2 | -171.7 | -175.1 | -145.9 | 78.5 | 0 | 0 | 112.1 | | |
| 368 | L | 44.8 | Very low | 46.4 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | | | trans | -144.5 | 106.7 | 156.8 | -70.9 | 175.7 | 0 | 0 | 0 | 105.7 | | |
| 369 | E | 40 | Very low | 48 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | | 81.4 | 110.1 | 73.1 | -170.4 | 167.2 | -163.8 | 0 | 0 | 113.9 | G371 | E369-G371 PolarHBondContact O-N 3.19Š|
| 370 | A | 48.2 | Very low | 49.2 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | trans | 46.3 | 54.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 371 | G | 39.8 | Very low | 50.4 | Low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -86.7 | 108.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E369 Q373 | E369-G371 PolarHBondContact O-N 3.19Å; G371-Q373 PolarHBondContact O-N 3.45Å |
| 372 | Q | 50.4 | Low | 52 | Low | 196 Ų | 196 | 144.8 Ų | 144.8 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | | | trans | -69.1 | 97.4 | 176.6 | -72.6 | -175.9 | -57.2 | 0 | 0 | 111.3 | S374 | Q372-S374 PolarHBondContact O-N 3.26Š|
| 373 | Q | 49.6 | Very low | 53.2 | Low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | -70.9 | 107.1 | 163.4 | -72.1 | -172.1 | -9.3 | 0 | 0 | 109.1 | G371 V375 | G371-Q373 PolarHBondContact O-N 3.45Å; Q373-V375 HydrophobicContact CB-CG2 4.33Å; Q373-V375 PolarHBondContact O-N 3.15Å |
| 374 | S | 53.5 | Low | 55 | Low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | trans | -72.2 | 69.1 | 169.1 | 44.4 | 0 | 0 | 0 | 0 | 110.7 | Q372 F376 | Q372-S374 PolarHBondContact O-N 3.26Å; S374-F376 PolarHBondContact O-N 3.41Å; S374-F376 VanDerWaalsContact O-N 3.16Å |
| 375 | V | 54.8 | Low | 57 | Low | 110 Ų | 110 | 135 Ų | 135 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | | | trans | -58.6 | 117.5 | 165.9 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | Q373 E377 | Q373-V375 HydrophobicContact CB-CG2 4.33Å; Q373-V375 PolarHBondContact O-N 3.15Å; V375-E377 PolarHBondContact O-N 3.39Å |
| 376 | F | 50 | Low | 58.5 | Low | 175 Ų | 175 | 133 Ų | 133 | 77% | 0.768 | 72% | 0.723 | S | S | * | * | | | trans | -72.1 | 75.3 | 169.3 | -82.6 | -91.8 | 0 | 0 | 0 | 109.2 | S374 R378 | S374-F376 PolarHBondContact O-N 3.41Å; S374-F376 VanDerWaalsContact O-N 3.16Å; F376-R378 PolarHBondContact O-N 3.06Å; F376-R378 VanDerWaalsContact O-N 3.07Å |
| 377 | E | 63.1 | Low | 60.4 | Low | 165 Ų | 165 | 135.1 Ų | 135.1 | 77% | 0.771 | 72% | 0.718 | S | S | * | * | | | trans | -61.8 | 105.7 | 165.7 | -172.3 | 150.5 | -136.7 | 0 | 0 | 107.5 | V375 D379 | V375-E377 PolarHBondContact O-N 3.39Å; E377-D379 PolarHBondContact O-N 2.92Å |
| 378 | R | 63.1 | Low | 61.7 | Low | 203 Ų | 203 | 132.9 Ų | 132.9 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | | | trans | -85.4 | 103.7 | 172.1 | -72.5 | -172.1 | -179.8 | 81.1 | -0.9 | 106.9 | F376 C380 | F376-R378 PolarHBondContact O-N 3.06Å; F376-R378 VanDerWaalsContact O-N 3.07Å; R378-C380 VanDerWaalsContact C-N 3.34Å; R378-C380 PolarHBondContact O-N 3.48Å |
| 379 | D | 70.9 | Confident | 63 | Low | 123 Ų | 123 | 133.9 Ų | 133.9 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | | | trans | -60.6 | 96.7 | 167.6 | -88.4 | -44.6 | 0 | 0 | 0 | 109.6 | E377 T381 | E377-D379 PolarHBondContact O-N 2.92Å; D379-T381 PolarHBondContact O-N 3.41Å; D379-T381 VanDerWaalsContact O-N 3.09Å |
| 380 | C | 66.4 | Low | 64.4 | Low | 85 Ų | 85 | 134 Ų | 134 | 57% | 0.574 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -75.8 | 17.4 | 175.1 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | R378 E382 L383 | R378-C380 VanDerWaalsContact C-N 3.34Å; R378-C380 PolarHBondContact O-N 3.48Å; C380-E382 VanDerWaalsContact C-N 3.29Å; C380-E382 PolarHBondContact O-N 3.27Å; C380-L383 HydrophobicContact CB-CD1 3.94Å; C380-L383 HydrophobicContact CB-CG 4.48Å; C380-L383 PolarHBondContact O-N 2.99Å |
| 381 | T | 72.4 | Confident | 64.6 | Low | 125 Ų | 125 | 138.7 Ų | 138.7 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -73.2 | -19.1 | -177.8 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | D379 | D379-T381 PolarHBondContact O-N 3.41Å; D379-T381 VanDerWaalsContact O-N 3.09Å |
| 382 | E | 75.6 | Confident | 65.8 | Low | 187 Ų | 187 | 142.1 Ų | 142.1 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -93.2 | 5.6 | 176.7 | -157.3 | 173.2 | -152.1 | 0 | 0 | 113.3 | C380 D384 | C380-E382 VanDerWaalsContact C-N 3.29Å; C380-E382 PolarHBondContact O-N 3.27Å; E382-D384 PolarHBondContact O-N 3.47Å |
| 383 | L | 74.5 | Confident | 66.6 | Low | 106 Ų | 106 | 139.3 Ų | 139.3 | 56% | 0.555 | 71% | 0.71 | S | S | * | * | | | trans | -76.5 | 92.2 | 173.9 | -72.8 | 178.8 | 0 | 0 | 0 | 111 | C380 L385 | C380-L383 HydrophobicContact CB-CD1 3.94Å; C380-L383 HydrophobicContact CB-CG 4.48Å; C380-L383 PolarHBondContact O-N 2.99Å; L383-L385 PolarHBondContact O-N 2.7Å; L383-L385 VanDerWaalsContact O-N 3.08Å |
| 384 | D | 79.6 | Confident | 67.6 | Low | 94 Ų | 94 | 137.3 Ų | 137.3 | 50% | 0.503 | 70% | 0.704 | S | S | . | * | | | trans | -61.6 | 109.3 | 168.2 | -175.7 | 1.1 | 0 | 0 | 0 | 110.4 | E382 N386 L387 | E382-D384 PolarHBondContact O-N 3.47Å; D384-N386 VanDerWaalsContact C-N 3.28Å; D384-N386 PolarHBondContact O-N 3.28Å; D384-N386 WeakPolarHBondContact OD1-CB 3.44Å; D384-N386 PolarHBondContact OD1-N 2.8Å; D384-L387 HydrophobicContact CB-CB 4.44Å; D384-L387 PolarHBondContact O-N 3.05Å |
| 385 | L | 79.3 | Confident | 68.4 | Low | 125 Ų | 125 | 139.2 Ų | 139.2 | 65% | 0.654 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -70.2 | -24.6 | -178.9 | -60.8 | 178.3 | 0 | 0 | 0 | 112.5 | L383 L387 I388 E389 | L383-L385 PolarHBondContact O-N 2.7Å; L383-L385 VanDerWaalsContact O-N 3.08Å; L385-L387 VanDerWaalsContact C-N 3.33Å; L385-I388 HydrophobicContact CD2-CD1 4.13Å; L385-I388 WeakPolarHBondContact O-CB 3.26Å; L385-I388 PolarHBondContact O-N 2.81Å; L385-E389 PolarHBondContact O-N 3.27Å |
| 386 | N | 74.9 | Confident | 69.3 | Low | 121 Ų | 121 | 141.1 Ų | 141.1 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -67.6 | -37.6 | 179 | -65.6 | -10.8 | 0 | 0 | 0 | 110.9 | D384 I388 E389 | D384-N386 VanDerWaalsContact C-N 3.28Å; D384-N386 PolarHBondContact O-N 3.28Å; D384-N386 WeakPolarHBondContact OD1-CB 3.44Å; D384-N386 PolarHBondContact OD1-N 2.8Å; N386-I388 PolarHBondContact O-N 3.21Å; N386-E389 PolarHBondContact O-N 3.09Å; N386-E389 VanDerWaalsContact O-N 3.12Å |
| 387 | L | 72.7 | Confident | 70.5 | Confident | 110 Ų | 110 | 138.8 Ų | 138.8 | 58% | 0.576 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -64.9 | -21.8 | 176.8 | -170.5 | 64 | 0 | 0 | 0 | 112.7 | D384 L385 | D384-L387 HydrophobicContact CB-CB 4.44Å; D384-L387 PolarHBondContact O-N 3.05Å; L385-L387 VanDerWaalsContact C-N 3.33Å |
| 388 | I | 71.8 | Confident | 71.1 | Confident | 106 Ų | 106 | 136.9 Ų | 136.9 | 54% | 0.544 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -82.2 | -23 | 177.4 | -56.1 | 177.5 | 0 | 0 | 0 | 111.5 | L385 N386 | L385-I388 HydrophobicContact CD2-CD1 4.13Å; L385-I388 WeakPolarHBondContact O-CB 3.26Å; L385-I388 PolarHBondContact O-N 2.81Å; N386-I388 PolarHBondContact O-N 3.21Å |
| 389 | E | 71.9 | Confident | 71.7 | Confident | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -86.1 | -11.8 | 177.5 | -165.3 | 163.9 | -159.2 | 0 | 0 | 113.1 | L385 N386 | L385-E389 PolarHBondContact O-N 3.27Å; N386-E389 PolarHBondContact O-N 3.09Å; N386-E389 VanDerWaalsContact O-N 3.12Å |
| 390 | E | 70 | Confident | 71.8 | Confident | 161 Ų | 161 | 132.6 Ų | 132.6 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 3.7 | -179.2 | -146.2 | -175.7 | 163.7 | 0 | 0 | 114.9 | | |
| 391 | N | 52 | Low | 72.2 | Confident | 195 Ų | 195 | 136.9 Ų | 136.9 | 100% | 1.043 | 70% | 0.703 | S | S | * | * | | | trans | -131.5 | 0 | -176.9 | -77 | -98.7 | 0 | 0 | 0 | 114.6 | | |