| 1 | M | 62.1 | Low | 73.6 | Confident | 241 Ų | 241 | 135 Ų | 135 | 100% | 1.187 | 81% | 0.811 | S | S | * | * | | | | 0 | 121.8 | 0 | -62.8 | -51.9 | -175.3 | 0 | 0 | 108.1 | | |
| 2 | S | 63 | Low | 72.9 | Confident | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 137.5 | 171.6 | -166.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 3 | V | 67 | Low | 72.1 | Confident | 128 Ų | 128 | 141 Ų | 141 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 129.3 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 108 | | |
| 4 | P | 77.7 | Confident | 70.9 | Confident | 106 Ų | 106 | 139.5 Ų | 139.5 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 149.1 | 179.1 | 27.1 | -34.8 | 0 | 0 | 0 | 111.3 | | |
| 5 | P | 78.6 | Confident | 69.9 | Low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 147.5 | 179.2 | 27.7 | -34.9 | 0 | 0 | 0 | 111.4 | | |
| 6 | P | 78.7 | Confident | 69.1 | Low | 115 Ų | 115 | 143.6 Ų | 143.6 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 149.5 | 178.2 | 28.6 | -35 | 0 | 0 | 0 | 111.6 | | |
| 7 | P | 80.4 | Confident | 68.4 | Low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 152.6 | 179.8 | 28.8 | -35.5 | 0 | 0 | 0 | 112.1 | | |
| 8 | P | 79.7 | Confident | 67.8 | Low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65 | 149.3 | 179 | 27.7 | -35.1 | 0 | 0 | 0 | 112 | | |
| 9 | P | 77.3 | Confident | 67.4 | Low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.5 | -177.7 | 27.3 | -34.9 | 0 | 0 | 0 | 112.1 | Q11 | P9-Q11 PolarHBondContact O-N 3.44Š|
| 10 | P | 74.6 | Confident | 66.9 | Low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59 | 127.1 | 179.4 | -24.3 | 34.2 | 0 | 0 | 0 | 112.4 | I12 | P10-I12 PolarHBondContact O-N 3.49Š|
| 11 | Q | 70.3 | Confident | 65.9 | Low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | -68.8 | 105.8 | 174.1 | -71.2 | -174 | -11.2 | 0 | 0 | 110.2 | P9 K13 | P9-Q11 PolarHBondContact O-N 3.44Å; Q11-K13 PolarHBondContact O-N 3.16Å |
| 12 | I | 65.5 | Low | 65.1 | Low | 161 Ų | 161 | 135.9 Ų | 135.9 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | -66 | 102.9 | 172.3 | -53.2 | 175.5 | 0 | 0 | 0 | 107.5 | P10 S14 | P10-I12 PolarHBondContact O-N 3.49Å; I12-S14 PolarHBondContact O-N 3.2Å; I12-S14 VanDerWaalsContact O-N 3.11Å |
| 13 | K | 61.7 | Low | 64.3 | Low | 187 Ų | 187 | 135 Ų | 135 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -58.6 | 117.9 | 172.5 | -68.4 | -176.9 | 179.2 | -179.4 | 0 | 108 | Q11 T15 | Q11-K13 PolarHBondContact O-N 3.16Å; K13-T15 PolarHBondContact O-N 3.21Å |
| 14 | S | 56.3 | Low | 63.5 | Low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | -64 | 95 | -178.2 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | I12 R16 | I12-S14 PolarHBondContact O-N 3.2Å; I12-S14 VanDerWaalsContact O-N 3.11Å; S14-R16 PolarHBondContact O-N 3.32Å; S14-R16 VanDerWaalsContact O-N 3.1Å |
| 15 | T | 55.9 | Low | 62.2 | Low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | | | trans | -69.3 | 105.5 | 171.2 | 36.7 | 0 | 0 | 0 | 0 | 107.7 | K13 | K13-T15 PolarHBondContact O-N 3.21Š|
| 16 | R | 55.9 | Low | 60.9 | Low | 220 Ų | 220 | 133.6 Ų | 133.6 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | | | trans | -41.6 | 124.6 | 171.9 | -178.3 | -173.5 | -176.4 | -157.7 | 3.2 | 108.6 | S14 | S14-R16 PolarHBondContact O-N 3.32Å; S14-R16 VanDerWaalsContact O-N 3.1Å |
| 17 | P | 58 | Low | 60.1 | Low | 101 Ų | 101 | 129.5 Ų | 129.5 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 143.7 | -179.5 | 24 | -33.8 | 0 | 0 | 0 | 109.2 | | |
| 18 | P | 57.6 | Low | 59.7 | Low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 143.4 | 179.2 | 24.2 | -33.7 | 0 | 0 | 0 | 109.4 | K20 | P18-K20 PolarHBondContact O-N 3.35Š|
| 19 | P | 59.7 | Low | 59.2 | Low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 134.2 | 173.7 | 25.6 | -33.6 | 0 | 0 | 0 | 108.1 | Q21 | P19-Q21 PolarHBondContact O-N 3.18Š|
| 20 | K | 57.3 | Low | 58.7 | Low | 210 Ų | 210 | 126 Ų | 126 | 91% | 0.913 | 71% | 0.712 | S | S | * | * | | | trans | -56 | 107.9 | 176.7 | -68 | -178.9 | 179.7 | -179.9 | 0 | 107.5 | P18 A22 | P18-K20 PolarHBondContact O-N 3.35Å; K20-A22 PolarHBondContact O-N 3.26Å; K20-A22 VanDerWaalsContact O-N 3.14Å |
| 21 | Q | 45.5 | Very low | 58.8 | Low | 184 Ų | 184 | 123.4 Ų | 123.4 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | | | trans | -56.7 | 123 | 167.1 | -76.1 | 178.6 | -48.4 | 0 | 0 | 106.5 | P19 C23 | P19-Q21 PolarHBondContact O-N 3.18Å; Q21-C23 PolarHBondContact O-N 3.19Å |
| 22 | A | 46.3 | Very low | 58.9 | Low | 76 Ų | 76 | 116.2 Ų | 116.2 | 63% | 0.628 | 66% | 0.664 | S | S | * | * | | | trans | -56.7 | 116.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | K20 D24 | K20-A22 PolarHBondContact O-N 3.26Å; K20-A22 VanDerWaalsContact O-N 3.14Å; A22-D24 PolarHBondContact O-N 3.41Å |
| 23 | C | 45.7 | Very low | 59.3 | Low | 104 Ų | 104 | 111 Ų | 111 | 70% | 0.703 | 64% | 0.638 | S | S | * | * | | | trans | -78.2 | 78.6 | 175.7 | -176 | 0 | 0 | 0 | 0 | 106.7 | Q21 S25 | Q21-C23 PolarHBondContact O-N 3.19Å; C23-S25 WeakPolarHBondContact O-CA 3.47Å; C23-S25 WeakPolarHBondContact O-CB 3.41Å; C23-S25 PolarHBondContact O-N 3.4Å |
| 24 | D | 50.2 | Low | 59.9 | Low | 141 Ų | 141 | 106.5 Ų | 106.5 | 75% | 0.754 | 62% | 0.621 | S | S | * | * | | | trans | -55.8 | 103.7 | 176.1 | -70.4 | -38 | 0 | 0 | 0 | 107.9 | A22 S26 | A22-D24 PolarHBondContact O-N 3.41Å; D24-S26 PolarHBondContact O-N 3.02Å |
| 25 | S | 51.5 | Low | 61 | Low | 51 Ų | 51 | 107.7 Ų | 107.7 | 36% | 0.357 | 61% | 0.607 | S | S | . | * | | | trans | -86.9 | 80.4 | -150.1 | 65 | 0 | 0 | 0 | 0 | 111.7 | C23 G27 | C23-S25 WeakPolarHBondContact O-CA 3.47Å; C23-S25 WeakPolarHBondContact O-CB 3.41Å; C23-S25 PolarHBondContact O-N 3.4Å; S25-G27 PolarHBondContact O-N 3.24Å |
| 26 | S | 50.6 | Low | 62.2 | Low | 130 Ų | 130 | 105.2 Ų | 105.2 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | | | trans | -65.1 | 15.5 | 167.1 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | D24 | D24-S26 PolarHBondContact O-N 3.02Š|
| 27 | G | 62.6 | Low | 63.1 | Low | 29 Ų | 29 | 97.8 Ų | 97.8 | 30% | 0.299 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -78.4 | 155.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S25 A29 | S25-G27 PolarHBondContact O-N 3.24Å; G27-A29 PolarHBondContact O-N 2.83Å |
| 28 | P | 71.3 | Confident | 64.1 | Low | 78 Ų | 78 | 100.9 Ų | 100.9 | 51% | 0.506 | 59% | 0.59 | S | S | . | * | | | trans | -54.2 | 139.4 | -179.4 | 23 | -35.5 | 0 | 0 | 0 | 112 | F30 L31 | P28-F30 HydrophobicContact CB-CD1 3.87Å; P28-F30 HydrophobicContact CB-CE1 3.68Å; P28-F30 HydrophobicContact CG-CD1 4.06Å; P28-F30 HydrophobicContact CG-CE1 3.42Å; P28-F30 VanDerWaalsContact CG-CE1 3.42Å; P28-F30 HydrophobicContact CG-CZ 4.07Å; P28-F30 PolarHBondContact O-N 3.35Å; P28-L31 HydrophobicContact CG-CD1 4.1Å; P28-L31 HydrophobicContact CG-CG 4.48Å; P28-L31 WeakPolarHBondContact O-CB 3.43Å; P28-L31 PolarHBondContact O-N 3.13Å |
| 29 | A | 68.5 | Low | 64.9 | Low | 76 Ų | 76 | 102 Ų | 102 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | -31.6 | -161.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G27 L31 A32 D33 | G27-A29 PolarHBondContact O-N 2.83Å; A29-L31 PolarHBondContact O-N 3.25Å; A29-L31 VanDerWaalsContact O-N 3.16Å; A29-A32 WeakPolarHBondContact O-CA 3.5Å; A29-A32 VanDerWaalsContact O-CB 3.31Å; A29-A32 WeakPolarHBondContact O-CB 3.36Å; A29-A32 PolarHBondContact O-N 3.44Å; A29-D33 PolarHBondContact O-N 3.4Å; A29-D33 VanDerWaalsContact O-N 3.13Å |
| 30 | F | 68.8 | Low | 65.5 | Low | 117 Ų | 117 | 102.8 Ų | 102.8 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -57.3 | -30 | 175.5 | 75.7 | -93.4 | 0 | 0 | 0 | 113.3 | P28 A32 I34 | P28-F30 HydrophobicContact CB-CD1 3.87Å; P28-F30 HydrophobicContact CB-CE1 3.68Å; P28-F30 HydrophobicContact CG-CD1 4.06Å; P28-F30 HydrophobicContact CG-CE1 3.42Å; P28-F30 VanDerWaalsContact CG-CE1 3.42Å; P28-F30 HydrophobicContact CG-CZ 4.07Å; P28-F30 PolarHBondContact O-N 3.35Å; F30-A32 VanDerWaalsContact C-N 3.32Å; F30-I34 HydrophobicContact CD2-CD1 3.96Å; F30-I34 WeakPolarHBondContact O-CB 3.39Å; F30-I34 VanDerWaalsContact O-CG1 3.24Å; F30-I34 WeakPolarHBondContact O-CG1 3.49Å; F30-I34 PolarHBondContact O-N 2.72Å |
| 31 | L | 74.8 | Confident | 66.6 | Low | 65 Ų | 65 | 103.7 Ų | 103.7 | 34% | 0.34 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.2 | -21.8 | 174.2 | -64.7 | 177.6 | 0 | 0 | 0 | 112.8 | P28 A29 R35 | P28-L31 HydrophobicContact CG-CD1 4.1Å; P28-L31 HydrophobicContact CG-CG 4.48Å; P28-L31 WeakPolarHBondContact O-CB 3.43Å; P28-L31 PolarHBondContact O-N 3.13Å; A29-L31 PolarHBondContact O-N 3.25Å; A29-L31 VanDerWaalsContact O-N 3.16Å; L31-R35 WeakPolarHBondContact O-CB 3.43Å; L31-R35 WeakPolarHBondContact O-CG 3.31Å; L31-R35 PolarHBondContact O-N 2.9Å; L31-R35 PolarHBondContact O-NE 2.9Å; L31-R35 PolarHBondContact O-NH2 3.36Å |
| 32 | A | 72.9 | Confident | 68.2 | Low | 40 Ų | 40 | 103.6 Ų | 103.6 | 33% | 0.331 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -75.9 | -46.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | A29 F30 I34 R35 A36 | A29-A32 WeakPolarHBondContact O-CA 3.5Å; A29-A32 VanDerWaalsContact O-CB 3.31Å; A29-A32 WeakPolarHBondContact O-CB 3.36Å; A29-A32 PolarHBondContact O-N 3.44Å; F30-A32 VanDerWaalsContact C-N 3.32Å; A32-I34 PolarHBondContact O-N 2.8Å; A32-R35 CarbonylContact O-C 3.39Å; A32-R35 PolarHBondContact O-N 3.27Å; A32-A36 WeakPolarHBondContact O-CB 2.9Å; A32-A36 PolarHBondContact O-N 2.87Å |
| 33 | D | 74.7 | Confident | 69.7 | Low | 52 Ų | 52 | 103.4 Ų | 103.4 | 28% | 0.278 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.6 | -45.4 | 175.7 | -73.8 | -50.2 | 0 | 0 | 0 | 112.5 | A29 R35 A36 G37 R38 | A29-D33 PolarHBondContact O-N 3.4Å; A29-D33 VanDerWaalsContact O-N 3.13Å; D33-R35 PolarHBondContact O-N 2.82Å; D33-A36 CarbonylContact O-C 3.59Å; D33-A36 PolarHBondContact O-N 2.99Å; D33-G37 PolarHBondContact O-N 3.01Å; D33-R38 HydrophobicContact CB-CB 4.18Å; D33-R38 WeakPolarHBondContact O-CB 3.47Å; D33-R38 PolarHBondContact O-N 3.18Å; D33-R38 WeakPolarHBondContact OD1-CD 3.42Å; D33-R38 IonicContact OD1-CZ 3.25Å; D33-R38 IonicContact OD1-NE 3.61Å; D33-R38 IonicContact OD1-NH1 2.68Å; D33-R38 PolarHBondContact OD1-NH1 3.26Å |
| 34 | I | 74.4 | Confident | 71.2 | Confident | 91 Ų | 91 | 101.3 Ų | 101.3 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.5 | -41.9 | 175.8 | -69.7 | 167.8 | 0 | 0 | 0 | 111.3 | F30 A32 A36 G37 | F30-I34 HydrophobicContact CD2-CD1 3.96Å; F30-I34 WeakPolarHBondContact O-CB 3.39Å; F30-I34 VanDerWaalsContact O-CG1 3.24Å; F30-I34 WeakPolarHBondContact O-CG1 3.49Å; F30-I34 PolarHBondContact O-N 2.72Å; A32-I34 PolarHBondContact O-N 2.8Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.07Å; I34-G37 PolarHBondContact O-N 2.83Å; I34-G37 VanDerWaalsContact O-N 3.15Å |
| 35 | R | 79.8 | Confident | 72.3 | Confident | 146 Ų | 146 | 99.8 Ų | 99.8 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.9 | -26.1 | 176.7 | -80.4 | 178.7 | -75.2 | -159.6 | -1.9 | 113.3 | L31 A32 D33 G37 | L31-R35 WeakPolarHBondContact O-CB 3.43Å; L31-R35 WeakPolarHBondContact O-CG 3.31Å; L31-R35 PolarHBondContact O-N 2.9Å; L31-R35 PolarHBondContact O-NE 2.9Å; L31-R35 PolarHBondContact O-NH2 3.36Å; A32-R35 CarbonylContact O-C 3.39Å; A32-R35 PolarHBondContact O-N 3.27Å; D33-R35 PolarHBondContact O-N 2.82Å; R35-G37 PolarHBondContact O-N 2.89Å |
| 36 | A | 79.9 | Confident | 73.5 | Confident | 73 Ų | 73 | 101.6 Ų | 101.6 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 2.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | A32 D33 I34 R38 | A32-A36 WeakPolarHBondContact O-CB 2.9Å; A32-A36 PolarHBondContact O-N 2.87Å; D33-A36 CarbonylContact O-C 3.59Å; D33-A36 PolarHBondContact O-N 2.99Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.07Å; A36-R38 PolarHBondContact O-N 3.18Å |
| 37 | G | 75.8 | Confident | 74.6 | Confident | 63 Ų | 63 | 100.8 Ų | 100.8 | 65% | 0.649 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 13.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D33 I34 R35 T39 | D33-G37 PolarHBondContact O-N 3.01Å; I34-G37 PolarHBondContact O-N 2.83Å; I34-G37 VanDerWaalsContact O-N 3.15Å; R35-G37 PolarHBondContact O-N 2.89Å; G37-T39 PolarHBondContact O-N 3.25Å |
| 38 | R | 77.7 | Confident | 75 | Confident | 167 Ų | 167 | 104 Ų | 104 | 63% | 0.63 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -69 | 120.4 | 177.3 | -77.2 | 172.1 | 160.4 | -173.3 | -4.1 | 109.8 | D33 A36 L40 | D33-R38 HydrophobicContact CB-CB 4.18Å; D33-R38 WeakPolarHBondContact O-CB 3.47Å; D33-R38 PolarHBondContact O-N 3.18Å; D33-R38 WeakPolarHBondContact OD1-CD 3.42Å; D33-R38 IonicContact OD1-CZ 3.25Å; D33-R38 IonicContact OD1-NE 3.61Å; D33-R38 IonicContact OD1-NH1 2.68Å; D33-R38 PolarHBondContact OD1-NH1 3.26Å; A36-R38 PolarHBondContact O-N 3.18Å; R38-L40 PolarHBondContact O-N 2.68Å |
| 39 | T | 75.4 | Confident | 75.1 | Confident | 135 Ų | 135 | 109.1 Ų | 109.1 | 83% | 0.828 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.5 | 174.1 | 44.8 | 0 | 0 | 0 | 0 | 110 | G37 R41 | G37-T39 PolarHBondContact O-N 3.25Å; T39-R41 PolarHBondContact O-N 2.83Å |
| 40 | L | 72.1 | Confident | 74.7 | Confident | 130 Ų | 130 | 109.8 Ų | 109.8 | 68% | 0.681 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 121.7 | 176.3 | -62.4 | 177.2 | 0 | 0 | 0 | 109 | R38 K42 | R38-L40 PolarHBondContact O-N 2.68Å; L40-K42 PolarHBondContact O-N 3.4Å |
| 41 | R | 79.6 | Confident | 74.4 | Confident | 229 Ų | 229 | 115.6 Ų | 115.6 | 86% | 0.864 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 132.5 | 177.2 | -69.2 | -169.5 | -68.5 | 131.7 | -1.5 | 109.6 | T39 V43 | T39-R41 PolarHBondContact O-N 2.83Å; R41-V43 PolarHBondContact O-N 3.24Å |
| 42 | K | 80.1 | Confident | 73.9 | Confident | 183 Ų | 183 | 117.3 Ų | 117.3 | 80% | 0.796 | 60% | 0.598 | S | S | * | * | | | trans | -67.5 | 101.5 | 175.1 | -176.1 | -178.7 | 178.9 | -175.5 | 0 | 108.8 | L40 P44 | L40-K42 PolarHBondContact O-N 3.4Å; K42-P44 WeakPolarHBondContact O-CD 3.42Å |
| 43 | V | 77.7 | Confident | 73 | Confident | 71 Ų | 71 | 118.2 Ų | 118.2 | 43% | 0.43 | 61% | 0.605 | S | S | . | * | | | trans | -47.4 | 121.9 | 173.3 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | R41 E47 K48 | R41-V43 PolarHBondContact O-N 3.24Å; V43-E47 HydrophobicContact CG1-CB 3.61Å; V43-K48 HydrophobicContact CG1-CG 3.91Å; V43-K48 WeakPolarHBondContact O-CE 3.5Å; V43-K48 PolarHBondContact O-NZ 3.44Å |
| 44 | P | 77.2 | Confident | 72 | Confident | 60 Ų | 60 | 121.3 Ų | 121.3 | 39% | 0.39 | 63% | 0.628 | S | S | . | * | | | trans | -59 | 152.7 | 175.1 | -26.7 | 36.1 | 0 | 0 | 0 | 112.9 | K42 S46 E47 K48 | K42-P44 WeakPolarHBondContact O-CD 3.42Å; P44-S46 PolarHBondContact O-N 2.63Å; P44-E47 PolarHBondContact O-N 3.28Å; P44-K48 PolarHBondContact O-N 3.21Å |
| 45 | D | 74.1 | Confident | 71 | Confident | 109 Ų | 109 | 126.1 Ų | 126.1 | 58% | 0.583 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -12.2 | -179.3 | -71.1 | -75.5 | 0 | 0 | 0 | 114.3 | K48 | D45-K48 WeakPolarHBondContact OD1-CD 2.97Å; D45-K48 WeakPolarHBondContact OD1-CE 3.49Å; D45-K48 IonicContact OD1-NZ 3.71Å; D45-K48 PolarHBondContact OD1-NZ 3.36Å; D45-K48 IonicContact OD2-NZ 2.74Å; D45-K48 PolarHBondContact OD2-NZ 3.5Å |
| 46 | S | 76 | Confident | 69.6 | Low | 90 Ų | 90 | 121.7 Ų | 121.7 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -55.8 | 165.7 | 44.9 | 0 | 0 | 0 | 0 | 111.7 | P44 K48 K49 | P44-S46 PolarHBondContact O-N 2.63Å; S46-K48 VanDerWaalsContact C-N 3.27Å; S46-K48 PolarHBondContact O-N 3.4Å; S46-K49 PolarHBondContact O-N 3.04Å |
| 47 | E | 73.6 | Confident | 68 | Low | 112 Ų | 112 | 124 Ų | 124 | 52% | 0.523 | 67% | 0.665 | S | S | . | * | G | 310 helix | trans | -60.8 | -33 | 180 | -71.7 | 172 | -150.7 | 0 | 0 | 112.4 | V43 P44 K49 D50 | V43-E47 HydrophobicContact CG1-CB 3.61Å; P44-E47 PolarHBondContact O-N 3.28Å; E47-K49 PolarHBondContact O-N 3.15Å; E47-K49 VanDerWaalsContact O-N 3.08Å; E47-D50 PolarHBondContact O-N 3.25Å; E47-D50 VanDerWaalsContact O-N 3.15Å |
| 48 | K | 71.7 | Confident | 66.9 | Low | 97 Ų | 97 | 129.7 Ų | 129.7 | 42% | 0.422 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -61.4 | -19.5 | 179.7 | -68.5 | 177.5 | -152.3 | 163.7 | 0 | 114.7 | V43 P44 D45 S46 | V43-K48 HydrophobicContact CG1-CG 3.91Å; V43-K48 WeakPolarHBondContact O-CE 3.5Å; V43-K48 PolarHBondContact O-NZ 3.44Å; P44-K48 PolarHBondContact O-N 3.21Å; D45-K48 WeakPolarHBondContact OD1-CD 2.97Å; D45-K48 WeakPolarHBondContact OD1-CE 3.49Å; D45-K48 IonicContact OD1-NZ 3.71Å; D45-K48 PolarHBondContact OD1-NZ 3.36Å; D45-K48 IonicContact OD2-NZ 2.74Å; D45-K48 PolarHBondContact OD2-NZ 3.5Å; S46-K48 VanDerWaalsContact C-N 3.27Å; S46-K48 PolarHBondContact O-N 3.4Å |
| 49 | K | 71.8 | Confident | 65.6 | Low | 185 Ų | 185 | 127 Ų | 127 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -85.8 | -27.2 | 178.5 | -71 | -177.4 | 178.5 | 177.5 | 0 | 112.9 | S46 E47 R51 | S46-K49 PolarHBondContact O-N 3.04Å; E47-K49 PolarHBondContact O-N 3.15Å; E47-K49 VanDerWaalsContact O-N 3.08Å; K49-R51 PolarHBondContact O-N 3.08Å; K49-R51 VanDerWaalsContact O-N 3.09Å |
| 50 | D | 61.4 | Low | 64 | Low | 90 Ų | 90 | 126.5 Ų | 126.5 | 48% | 0.481 | 67% | 0.673 | S | S | . | * | | | trans | -87.3 | 82.1 | -178.3 | -161.4 | -10.3 | 0 | 0 | 0 | 111.5 | E47 S52 A53 | E47-D50 PolarHBondContact O-N 3.25Å; E47-D50 VanDerWaalsContact O-N 3.15Å; D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 WeakPolarHBondContact OD1-CA 3.43Å; D50-S52 WeakPolarHBondContact OD1-CB 3.43Å; D50-S52 PolarHBondContact OD1-N 3.29Å; D50-S52 PolarHBondContact OD1-OG 3.47Å; D50-A53 PolarHBondContact OD1-N 2.98Å |
| 51 | R | 61.6 | Low | 62.6 | Low | 239 Ų | 239 | 127.3 Ų | 127.3 | 90% | 0.902 | 68% | 0.678 | S | S | * | * | | | trans | -93.2 | 16.8 | 166.5 | -67.1 | -175.8 | 171.9 | -166.9 | -4.6 | 112.2 | K49 | K49-R51 PolarHBondContact O-N 3.08Å; K49-R51 VanDerWaalsContact O-N 3.09Å |
| 52 | S | 65 | Low | 60.8 | Low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -110.4 | -31.1 | -172.1 | 22.4 | 0 | 0 | 0 | 0 | 112.6 | D50 P54 | D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 WeakPolarHBondContact OD1-CA 3.43Å; D50-S52 WeakPolarHBondContact OD1-CB 3.43Å; D50-S52 PolarHBondContact OD1-N 3.29Å; D50-S52 PolarHBondContact OD1-OG 3.47Å; S52-P54 WeakPolarHBondContact O-CD 3.32Å |
| 53 | A | 53.4 | Low | 58.8 | Low | 58 Ų | 58 | 123.5 Ų | 123.5 | 48% | 0.479 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -63.8 | 124.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D50 | D50-A53 PolarHBondContact OD1-N 2.98Š|
| 54 | P | 54.1 | Low | 57 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | | | trans | -64.7 | 146.7 | 163.2 | 29.5 | -33.2 | 0 | 0 | 0 | 109.2 | S52 G56 | S52-P54 WeakPolarHBondContact O-CD 3.32Å; P54-G56 PolarHBondContact O-N 3.36Å |
| 55 | L | 53.7 | Low | 55.2 | Low | 193 Ų | 193 | 132.9 Ų | 132.9 | 100% | 1.01 | 72% | 0.716 | S | S | * | * | | | trans | -72.7 | 73 | 179.3 | -67.3 | 172.5 | 0 | 0 | 0 | 111.1 | | |
| 56 | G | 49.5 | Very low | 53.4 | Low | 52 Ų | 52 | 131.2 Ų | 131.2 | 54% | 0.536 | 73% | 0.725 | S | S | . | * | | | trans | -95.2 | 142.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P54 | P54-G56 PolarHBondContact O-N 3.36Š|
| 57 | S | 47.4 | Very low | 51.8 | Low | 121 Ų | 121 | 133.3 Ų | 133.3 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | trans | 57.1 | 125.7 | 168.8 | 49.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 58 | K | 51.3 | Low | 50.3 | Low | 183 Ų | 183 | 132.6 Ų | 132.6 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | | | trans | -57.3 | 148.1 | 152 | -68.5 | 176.1 | 171.8 | -179.9 | 0 | 109.2 | T60 | K58-T60 PolarHBondContact O-N 3.23Š|
| 59 | P | 50.4 | Low | 48.7 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | trans | -62.5 | 125.6 | 147.9 | 29.7 | -31 | 0 | 0 | 0 | 108.1 | D61 | P59-D61 PolarHBondContact O-N 3.23Š|
| 60 | T | 42.3 | Very low | 46.9 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -84.7 | 100.6 | 167.4 | -61.5 | 0 | 0 | 0 | 0 | 107.4 | K58 Q62 | K58-T60 PolarHBondContact O-N 3.23Å; T60-Q62 PolarHBondContact O-N 3.04Å |
| 61 | D | 43.3 | Very low | 46 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | -60.8 | 124.3 | 168.2 | -70.6 | -46.1 | 0 | 0 | 0 | 109 | P59 N63 | P59-D61 PolarHBondContact O-N 3.23Å; D61-N63 PolarHBondContact O-N 3.2Å |
| 62 | Q | 41 | Very low | 45.1 | Very low | 178 Ų | 178 | 124.6 Ų | 124.6 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -75.1 | 119.5 | -177 | -62.1 | 170.3 | -8.8 | 0 | 0 | 109.4 | T60 | T60-Q62 PolarHBondContact O-N 3.04Š|
| 63 | N | 39.5 | Very low | 43.8 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | -170.5 | 87.5 | 161.2 | -92.2 | -38.3 | 0 | 0 | 0 | 110.8 | D61 | D61-N63 PolarHBondContact O-N 3.2Š|
| 64 | N | 39.4 | Very low | 43 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 78% | 0.781 | 82% | 0.816 | S | S | * | * | | | | -177.4 | 131.6 | 129 | -101.4 | 11 | 0 | 0 | 0 | 112.6 | | |
| 65 | E | 39.8 | Very low | 42.5 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | | | trans | 17.8 | 122.2 | 137.7 | -54.1 | -174.5 | 156.7 | 0 | 0 | 118.3 | | |
| 66 | G | 36.2 | Very low | 41.7 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | -86.4 | 169.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 67 | S | 41.8 | Very low | 41.5 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | | | trans | -154.1 | 162.9 | 155.7 | -83.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 68 | A | 42 | Very low | 41.1 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | | | trans | -95.7 | 155.2 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 69 | A | 38.6 | Very low | 40.7 | Very low | 110 Ų | 110 | 129 Ų | 129 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | 64.7 | 136.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 70 | G | 33.7 | Very low | 40.4 | Very low | 73 Ų | 73 | 129.5 Ų | 129.5 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | trans | 126.1 | 99.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 71 | P | 43 | Very low | 40.8 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | | | trans | -78 | 159.6 | 159 | 33.3 | -32.6 | 0 | 0 | 0 | 111.7 | | |
| 72 | P | 43 | Very low | 41.1 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | | | trans | -92.4 | 162.9 | -158.9 | 36 | -37.8 | 0 | 0 | 0 | 115.9 | | |
| 73 | A | 36.9 | Very low | 41.2 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -113.9 | 156.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 74 | L | 36.4 | Very low | 41.9 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | | | trans | -84.2 | 149.9 | -173.3 | -67.7 | 160 | 0 | 0 | 0 | 113.2 | | |
| 75 | V | 43 | Very low | 42.8 | Very low | 145 Ų | 145 | 119.3 Ų | 119.3 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -127.7 | 136.1 | 159.4 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 76 | S | 37.8 | Very low | 43.3 | Very low | 109 Ų | 109 | 117 Ų | 117 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -95.9 | 153 | -173.4 | -173.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 77 | G | 44.3 | Very low | 44.2 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -167.2 | 96.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L79 | G77-L79 PolarHBondContact O-N 3.37Š|
| 78 | N | 39.7 | Very low | 44.8 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | | | trans | -73.4 | 109.8 | -172.8 | -78.9 | -10.1 | 0 | 0 | 0 | 113.5 | | |
| 79 | L | 42.9 | Very low | 45.2 | Very low | 157 Ų | 157 | 117.8 Ų | 117.8 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | -136.8 | 134.8 | 143.5 | -74.8 | 177.8 | 0 | 0 | 0 | 108 | G77 P81 | G77-L79 PolarHBondContact O-N 3.37Å; L79-P81 VanDerWaalsContact O-CD 3.28Å; L79-P81 WeakPolarHBondContact O-CD 3.5Å |
| 80 | P | 44.8 | Very low | 45.9 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.9 | 174.7 | 28.4 | -32.1 | 0 | 0 | 0 | 109.6 | | |
| 81 | P | 49.5 | Very low | 46.5 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.1 | 170.4 | 29.7 | -33.3 | 0 | 0 | 0 | 109.2 | L79 D83 | L79-P81 VanDerWaalsContact O-CD 3.28Å; L79-P81 WeakPolarHBondContact O-CD 3.5Å; P81-D83 PolarHBondContact O-N 3.43Å |
| 82 | V | 50 | Low | 47.4 | Very low | 126 Ų | 126 | 118.1 Ų | 118.1 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 119.7 | 172 | 176 | 0 | 0 | 0 | 0 | 108.3 | L84 | V82-L84 PolarHBondContact O-N 2.96Š|
| 83 | D | 42.4 | Very low | 48.1 | Very low | 100 Ų | 100 | 116.4 Ų | 116.4 | 54% | 0.535 | 71% | 0.714 | S | S | . | * | | | trans | -71.1 | 91.1 | -173 | -176.9 | 30.1 | 0 | 0 | 0 | 112.6 | P81 S85 N86 | P81-D83 PolarHBondContact O-N 3.43Å; D83-S85 WeakPolarHBondContact OD1-CB 3.24Å; D83-S85 PolarHBondContact OD1-N 3.29Å; D83-S85 PolarHBondContact OD1-OG 3.37Å; D83-N86 PolarHBondContact OD2-ND2 3.2Å; D83-N86 VanDerWaalsContact OD2-ND2 3.09Å |
| 84 | L | 55.2 | Low | 49.1 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | | | trans | -97.6 | 4.4 | 165.5 | -58.9 | 178.7 | 0 | 0 | 0 | 112.1 | V82 N86 I87 | V82-L84 PolarHBondContact O-N 2.96Å; L84-N86 PolarHBondContact O-N 2.96Å; L84-N86 VanDerWaalsContact O-N 3.16Å; L84-I87 HydrophobicContact CD2-CD1 3.99Å; L84-I87 PolarHBondContact O-N 2.84Å |
| 85 | S | 57.2 | Low | 50.4 | Low | 88 Ų | 88 | 120.5 Ų | 120.5 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -31.4 | -171 | -37.5 | 0 | 0 | 0 | 0 | 112.2 | D83 I87 | D83-S85 WeakPolarHBondContact OD1-CB 3.24Å; D83-S85 PolarHBondContact OD1-N 3.29Å; D83-S85 PolarHBondContact OD1-OG 3.37Å; S85-I87 VanDerWaalsContact C-N 3.34Å; S85-I87 PolarHBondContact O-N 3.29Å |
| 86 | N | 50.9 | Low | 51.3 | Low | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -7.7 | -179.1 | -73.9 | -66.2 | 0 | 0 | 0 | 114.8 | D83 L84 | D83-N86 PolarHBondContact OD2-ND2 3.2Å; D83-N86 VanDerWaalsContact OD2-ND2 3.09Å; L84-N86 PolarHBondContact O-N 2.96Å; L84-N86 VanDerWaalsContact O-N 3.16Å |
| 87 | I | 55 | Low | 51.9 | Low | 110 Ų | 110 | 123.6 Ų | 123.6 | 56% | 0.564 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -33.2 | 175.3 | -56.9 | -179.9 | 0 | 0 | 0 | 111.3 | L84 S85 | L84-I87 HydrophobicContact CD2-CD1 3.99Å; L84-I87 PolarHBondContact O-N 2.84Å; S85-I87 VanDerWaalsContact C-N 3.34Å; S85-I87 PolarHBondContact O-N 3.29Å |
| 88 | F | 53.8 | Low | 52 | Low | 135 Ų | 135 | 127.2 Ų | 127.2 | 59% | 0.592 | 72% | 0.722 | S | S | * | * | | | trans | -117.6 | 25.3 | -168.2 | -65.4 | -75.7 | 0 | 0 | 0 | 114.6 | N90 G91 | F88-N90 PolarHBondContact O-N 2.9Å; F88-G91 PolarHBondContact O-N 2.74Å |
| 89 | A | 52 | Low | 51.7 | Low | 75 Ų | 75 | 124.9 Ų | 124.9 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -8.4 | -176 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 90 | N | 53.3 | Low | 51.6 | Low | 154 Ų | 154 | 123.4 Ų | 123.4 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.6 | 21.9 | 163.8 | -86.9 | -72.5 | 0 | 0 | 0 | 112.4 | F88 V92 | F88-N90 PolarHBondContact O-N 2.9Å; N90-V92 PolarHBondContact O-N 3.41Å |
| 91 | G | 45.2 | Very low | 51.4 | Low | 52 Ų | 52 | 121.8 Ų | 121.8 | 54% | 0.536 | 72% | 0.718 | S | S | . | * | S | Bend | trans | 66.3 | -20.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | F88 | F88-G91 PolarHBondContact O-N 2.74Š|
| 92 | V | 62.3 | Low | 50.8 | Low | 113 Ų | 113 | 123.9 Ų | 123.9 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -93.2 | 127.8 | -176.9 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | N90 K94 | N90-V92 PolarHBondContact O-N 3.41Å; V92-K94 PolarHBondContact O-N 3Å |
| 93 | P | 58.2 | Low | 50.3 | Low | 97 Ų | 97 | 123.6 Ų | 123.6 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | | | trans | -58.6 | 118.1 | 171.7 | -24.6 | 34.8 | 0 | 0 | 0 | 111.7 | L95 | P93-L95 PolarHBondContact O-N 3.15Š|
| 94 | K | 56.5 | Low | 50 | Low | 207 Ų | 207 | 123.2 Ų | 123.2 | 90% | 0.9 | 73% | 0.731 | S | S | * | * | | | trans | -79.1 | 68.1 | -174.4 | -157.2 | 175.2 | -171.7 | 177.3 | 0 | 111.7 | V92 K96 | V92-K94 PolarHBondContact O-N 3Å; K94-K96 PolarHBondContact O-N 3.29Å |
| 95 | L | 64 | Low | 49.4 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | trans | -58.5 | 129.3 | 177.2 | -66 | 178.6 | 0 | 0 | 0 | 110.6 | P93 | P93-L95 PolarHBondContact O-N 3.15Š|
| 96 | K | 61.6 | Low | 48.5 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | | | trans | -74.5 | 129.3 | 176.5 | -62.2 | 179.4 | -178 | 178.9 | 0 | 109.3 | K94 V98 | K94-K96 PolarHBondContact O-N 3.29Å; K96-V98 PolarHBondContact O-N 3.03Å; K96-V98 VanDerWaalsContact O-N 3.13Å |
| 97 | S | 51.4 | Low | 48 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | -63.3 | 110.9 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | S99 | S97-S99 PolarHBondContact O-N 3.4Š|
| 98 | V | 45.4 | Very low | 47.1 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | | | trans | -77.8 | 111.1 | 166.9 | -80.6 | 0 | 0 | 0 | 0 | 109.4 | K96 | K96-V98 PolarHBondContact O-N 3.03Å; K96-V98 VanDerWaalsContact O-N 3.13Å |
| 99 | S | 34.7 | Very low | 46.4 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -88.7 | 112.4 | -175.5 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | S97 | S97-S99 PolarHBondContact O-N 3.4Š|
| 100 | S | 40.8 | Very low | 45.8 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | 177.4 | 136.8 | 156.1 | -80.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 101 | A | 39.6 | Very low | 44.7 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | cis | -139 | -174.7 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 102 | D | 36.6 | Very low | 44.3 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -60.8 | 142.2 | -158.1 | -64.3 | -83.6 | 0 | 0 | 0 | 118.2 | | |
| 103 | V | 39.4 | Very low | 43.1 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -116.2 | 89.1 | 164.3 | -178.6 | 0 | 0 | 0 | 0 | 109 | R105 | V103-R105 WeakPolarHBondContact O-CG 3.4Š|
| 104 | A | 37.9 | Very low | 42.3 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | -67.8 | 127 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 105 | R | 41 | Very low | 41.4 | Very low | 213 Ų | 213 | 143.1 Ų | 143.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | cis | 56.9 | 72.7 | 22 | -61.4 | 179.9 | 177.3 | 158.6 | -1.5 | 113.9 | V103 | V103-R105 WeakPolarHBondContact O-CG 3.4Š|
| 106 | N | 38.4 | Very low | 40.1 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | | -175.9 | 129.2 | 92.7 | -88 | -30.9 | 0 | 0 | 0 | 112.4 | T108 | N106-T108 PolarHBondContact O-N 3.45Š|
| 107 | N | 40.5 | Very low | 39.2 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 96% | 0.957 | 81% | 0.81 | S | S | * | * | | | trans | -92 | 81 | 159.2 | -86.2 | 8.2 | 0 | 0 | 0 | 108.3 | | |
| 108 | T | 37.5 | Very low | 38.9 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | | | trans | -134.8 | 135.8 | 166.4 | -48.3 | 0 | 0 | 0 | 0 | 108.6 | N106 | N106-T108 PolarHBondContact O-N 3.45Š|
| 109 | V | 38.8 | Very low | 38.2 | Very low | 125 Ų | 125 | 141 Ų | 141 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | | | trans | -79.2 | 162.2 | -179.8 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 110 | Q | 38.6 | Very low | 38.6 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | 78.1 | 142.9 | 177.6 | -46.4 | 171.8 | 11.4 | 0 | 0 | 113.3 | | |
| 111 | N | 30.6 | Very low | 38.5 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | cis | 162.6 | 172.5 | -14.6 | 179.8 | 11.3 | 0 | 0 | 0 | 103.4 | | |
| 112 | L | 37.6 | Very low | 39 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | | | trans | 70.1 | 76.9 | 177.9 | -64.9 | 96.4 | 0 | 0 | 0 | 116.8 | | |
| 113 | S | 35.3 | Very low | 39.9 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | | 36.7 | 111.2 | 119 | -167.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 114 | T | 42.3 | Very low | 41.1 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | -147.3 | 153.6 | 138.4 | -22.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 115 | K | 37.6 | Very low | 42.8 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 145.9 | -161.1 | -64.7 | 178 | 176.6 | 179.2 | 0 | 116.9 | | |
| 116 | P | 36.5 | Very low | 44.5 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 148.5 | 175.7 | 32.9 | -35.7 | 0 | 0 | 0 | 112.6 | | |
| 117 | S | 43.6 | Very low | 46.7 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 151.9 | 168.2 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 118 | S | 44.2 | Very low | 48.7 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 129.3 | -161 | -167 | 0 | 0 | 0 | 0 | 115.5 | G120 | S118-G120 PolarHBondContact O-N 3.13Š|
| 119 | Y | 31.7 | Very low | 51 | Low | 223 Ų | 223 | 135.7 Ų | 135.7 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | | | trans | 27.6 | 83.6 | 149.3 | -68.1 | -85.6 | 0 | 0 | 0 | 119.5 | | |
| 120 | G | 41.6 | Very low | 53.3 | Low | 64 Ų | 64 | 135.2 Ų | 135.2 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | | | trans | -91.8 | 125.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S118 V122 | S118-G120 PolarHBondContact O-N 3.13Å; G120-V122 VanDerWaalsContact C-N 3.34Å; G120-V122 PolarHBondContact O-N 3.09Å |
| 121 | N | 40.1 | Very low | 55.4 | Low | 167 Ų | 167 | 131.8 Ų | 131.8 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | trans | -75.6 | 79.2 | -176.3 | -119.2 | -44.3 | 0 | 0 | 0 | 112 | K123 | N121-K123 PolarHBondContact O-N 3.1Š|
| 122 | V | 49.7 | Very low | 57.6 | Low | 135 Ų | 135 | 129.9 Ų | 129.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -68.7 | 96.7 | 173.6 | -77 | 0 | 0 | 0 | 0 | 110.4 | G120 S124 | G120-V122 VanDerWaalsContact C-N 3.34Å; G120-V122 PolarHBondContact O-N 3.09Å; V122-S124 PolarHBondContact O-N 2.85Å |
| 123 | K | 56.1 | Low | 59.4 | Low | 201 Ų | 201 | 131.5 Ų | 131.5 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -61.9 | 108.7 | -179 | -171.1 | 172.6 | -173.5 | 172.1 | 0 | 110.6 | N121 | N121-K123 PolarHBondContact O-N 3.1Š|
| 124 | S | 64.6 | Low | 60.7 | Low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 141 | 179 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | V122 A126 | V122-S124 PolarHBondContact O-N 2.85Å; S124-A126 PolarHBondContact O-N 2.64Å |
| 125 | P | 73.7 | Confident | 61.3 | Low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 141.1 | 174.4 | 26.5 | -34.2 | 0 | 0 | 0 | 110 | | |
| 126 | A | 76.1 | Confident | 61.7 | Low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S124 | S124-A126 PolarHBondContact O-N 2.64Š|
| 127 | P | 83.5 | Confident | 62 | Low | 114 Ų | 114 | 130.2 Ų | 130.2 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 151.7 | 175.5 | 27.1 | -34.8 | 0 | 0 | 0 | 110.7 | | |
| 128 | P | 84.2 | Confident | 61.5 | Low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 149.3 | 174.3 | 27.6 | -34.9 | 0 | 0 | 0 | 110.6 | | |
| 129 | P | 85.3 | Confident | 61.1 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 149.1 | 175.8 | 28.3 | -35 | 0 | 0 | 0 | 110.8 | | |
| 130 | P | 85.6 | Confident | 61.3 | Low | 114 Ų | 114 | 122.8 Ų | 122.8 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 150.7 | 174.7 | 27.8 | -35 | 0 | 0 | 0 | 110.9 | | |
| 131 | P | 82.8 | Confident | 61.1 | Low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 150 | 174.2 | 28.3 | -35 | 0 | 0 | 0 | 110.7 | L133 | P131-L133 PolarHBondContact O-N 2.97Š|
| 132 | P | 78.1 | Confident | 60.9 | Low | 103 Ų | 103 | 122 Ų | 122 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 126.9 | 176.2 | 26.8 | -33.9 | 0 | 0 | 0 | 110.3 | F134 | P132-F134 PolarHBondContact O-N 3.39Å; P132-F134 VanDerWaalsContact O-N 3.11Å |
| 133 | L | 74.6 | Confident | 60.3 | Low | 175 Ų | 175 | 123.1 Ų | 123.1 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | | | trans | -68.8 | 106.1 | 170.4 | -69 | 172.3 | 0 | 0 | 0 | 108.8 | P131 | P131-L133 PolarHBondContact O-N 2.97Š|
| 134 | F | 62 | Low | 59.5 | Low | 175 Ų | 175 | 120.1 Ų | 120.1 | 77% | 0.768 | 76% | 0.759 | S | S | * | * | | | trans | -64.2 | 137.9 | 166.1 | -68 | -84.4 | 0 | 0 | 0 | 109.2 | P132 T136 | P132-F134 PolarHBondContact O-N 3.39Å; P132-F134 VanDerWaalsContact O-N 3.11Å; F134-T136 PolarHBondContact O-N 2.77Å |
| 135 | P | 56.7 | Low | 58.4 | Low | 117 Ų | 117 | 121.5 Ų | 121.5 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | trans | -66.5 | 108.2 | 175.9 | 27.2 | -33.1 | 0 | 0 | 0 | 109.4 | T137 | P135-T137 PolarHBondContact O-N 2.8Å; P135-T137 VanDerWaalsContact O-N 3.13Å |
| 136 | T | 45.4 | Very low | 56.6 | Low | 132 Ų | 132 | 126 Ų | 126 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | -68.5 | 106.6 | 169.7 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | F134 A138 | F134-T136 PolarHBondContact O-N 2.77Å; T136-A138 PolarHBondContact O-N 3.05Å |
| 137 | T | 43.3 | Very low | 54.9 | Low | 133 Ų | 133 | 126.9 Ų | 126.9 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | trans | -68.7 | 77.8 | 178.3 | -47.7 | 0 | 0 | 0 | 0 | 111 | P135 A139 | P135-T137 PolarHBondContact O-N 2.8Å; P135-T137 VanDerWaalsContact O-N 3.13Å; T137-A139 HydrophobicContact CG2-CB 4.49Å; T137-A139 PolarHBondContact O-N 3.44Å |
| 138 | A | 33.1 | Very low | 52.8 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | -73.4 | 93.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | T136 | T136-A138 PolarHBondContact O-N 3.05Š|
| 139 | A | 35 | Very low | 50.4 | Low | 70 Ų | 70 | 129.2 Ų | 129.2 | 58% | 0.579 | 77% | 0.766 | S | S | * | * | | | trans | -137.5 | 137.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | T137 | T137-A139 HydrophobicContact CG2-CB 4.49Å; T137-A139 PolarHBondContact O-N 3.44Å |
| 140 | S | 36.3 | Very low | 48.3 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | 67.4 | 145.8 | -166.7 | 84.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 141 | V | 37.2 | Very low | 46.4 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | | | cis | -133.2 | 125.4 | 7.3 | 179 | 0 | 0 | 0 | 0 | 111.2 | | |
| 142 | A | 36.3 | Very low | 44.3 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | -178.1 | 92.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 143 | Q | 37.4 | Very low | 42.3 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | | 38.3 | 102.3 | 82.8 | -71.4 | -171.5 | -30.9 | 0 | 0 | 111.4 | | |
| 144 | N | 39 | Very low | 40.8 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | | -166.8 | 170.1 | 58.9 | -82 | -51.4 | 0 | 0 | 0 | 114.5 | | |
| 145 | N | 40.3 | Very low | 39.8 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | 71.6 | 89.7 | 155.1 | -67.6 | 2.7 | 0 | 0 | 0 | 122.3 | | |
| 146 | Y | 37.1 | Very low | 38.8 | Very low | 220 Ų | 220 | 133.6 Ų | 133.6 | 86% | 0.863 | 77% | 0.771 | S | S | * | * | | | trans | 70.9 | 155.4 | 133.9 | -67.2 | -78.2 | 0 | 0 | 0 | 121.5 | | |
| 147 | P | 39.4 | Very low | 38.4 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -121 | 171.8 | -157.3 | 43.9 | -33.3 | 0 | 0 | 0 | 115.5 | | |
| 148 | L | 39.5 | Very low | 38.3 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | | | trans | -176.7 | 113.5 | 144.6 | -94.7 | 152.5 | 0 | 0 | 0 | 106.7 | | |
| 149 | S | 34.6 | Very low | 38.5 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | 82.1 | 81.1 | 85.1 | -177.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 150 | A | 41.3 | Very low | 38.9 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -152.2 | 137.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 151 | T | 44.9 | Very low | 39.4 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -97.4 | 146.3 | -165.4 | 43.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 152 | P | 39.2 | Very low | 39.4 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | trans | -89.4 | 147.7 | 172 | 35.3 | -33.3 | 0 | 0 | 0 | 112.5 | | |
| 153 | Y | 36 | Very low | 39.6 | Very low | 223 Ų | 223 | 140.9 Ų | 140.9 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | | | trans | -98.8 | 108.9 | 166.3 | -89 | -92 | 0 | 0 | 0 | 110.7 | | |
| 154 | T | 43.1 | Very low | 39.7 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | -137.7 | 129.4 | 163.1 | 50.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 155 | L | 40.7 | Very low | 39.8 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | | | trans | -100.1 | 136.5 | -168.1 | -136 | 71.9 | 0 | 0 | 0 | 112.2 | | |
| 156 | Y | 35.2 | Very low | 39.7 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | trans | 52.3 | 103.7 | 164.6 | -58.9 | -59.1 | 0 | 0 | 0 | 120.2 | H158 | Y156-H158 AromaticContact CD1-CD2 3.88Å; Y156-H158 AromaticContact CD1-CE1 3.76Å; Y156-H158 AromaticContact CD1-NE2 3.24Å; Y156-H158 WeakPolarHBondContact CD1-NE2 3.49Å; Y156-H158 AromaticContact CE1-CE1 3.71Å; Y156-H158 AromaticContact CE1-NE2 3.47Å; Y156-H158 WeakPolarHBondContact CE1-NE2 3.38Å |
| 157 | Q | 38.1 | Very low | 39.6 | Very low | 198 Ų | 198 | 133.7 Ų | 133.7 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | | | | -121.4 | 146.7 | 114.4 | -70.6 | -168 | 4 | 0 | 0 | 108.5 | | |
| 158 | H | 40.1 | Very low | 39.6 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 143.4 | -176.7 | -80.2 | -83.8 | 0 | 0 | 0 | 112.4 | Y156 | Y156-H158 AromaticContact CD1-CD2 3.88Å; Y156-H158 AromaticContact CD1-CE1 3.76Å; Y156-H158 AromaticContact CD1-NE2 3.24Å; Y156-H158 WeakPolarHBondContact CD1-NE2 3.49Å; Y156-H158 AromaticContact CE1-CE1 3.71Å; Y156-H158 AromaticContact CE1-NE2 3.47Å; Y156-H158 WeakPolarHBondContact CE1-NE2 3.38Å |
| 159 | S | 37 | Very low | 39.3 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 153 | -175.2 | -46.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 160 | S | 44.9 | Very low | 39.7 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 166.7 | 159.2 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 161 | P | 46.5 | Very low | 39.4 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | | | trans | -105.4 | 138.9 | 165.2 | 34.9 | -27.5 | 0 | 0 | 0 | 113.6 | | |
| 162 | T | 37.5 | Very low | 38.9 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -88.7 | 151.2 | -168.2 | -51.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 163 | A | 40.3 | Very low | 38.6 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -139.9 | 121.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 164 | N | 39.7 | Very low | 38.6 | Very low | 124 Ų | 124 | 134 Ų | 134 | 66% | 0.663 | 79% | 0.786 | S | S | * | * | | | | 72.4 | 134.7 | 60.4 | 105.7 | 29.1 | 0 | 0 | 0 | 111.5 | | |
| 165 | N | 40.8 | Very low | 38.4 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | cis | -149.4 | 165.8 | 5.3 | -94.6 | -44.6 | 0 | 0 | 0 | 113.1 | | |
| 166 | N | 38.3 | Very low | 38.8 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | 62.6 | 105.1 | 153.3 | -89.9 | -1.9 | 0 | 0 | 0 | 123.8 | | |
| 167 | A | 35.7 | Very low | 39.5 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | | | | 89.6 | 144.8 | 103.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 168 | T | 38.6 | Very low | 40 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | trans | 79.4 | 115.2 | 165.4 | -38.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 169 | A | 33.5 | Very low | 41 | Very low | 100 Ų | 100 | 123 Ų | 123 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | -101.3 | 136.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 170 | V | 41.6 | Very low | 42.2 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -133.9 | 140.5 | 163.3 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 171 | R | 35.2 | Very low | 43.4 | Very low | 228 Ų | 228 | 122.8 Ų | 122.8 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -75.9 | 131.9 | 176.5 | -60.6 | 175 | 179.2 | -180 | -1 | 110.3 | | |
| 172 | N | 35 | Very low | 44.4 | Very low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | | -177.4 | 170.1 | 118.7 | -90.3 | -18 | 0 | 0 | 0 | 110.7 | | |
| 173 | G | 33 | Very low | 46.2 | Very low | 87 Ų | 87 | 121.3 Ų | 121.3 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | | | trans | -64.1 | 134.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 174 | S | 35.6 | Very low | 47.8 | Very low | 111 Ų | 111 | 123 Ų | 123 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -137.1 | 127.4 | 165.9 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | V176 | S174-V176 PolarHBondContact O-N 3.05Š|
| 175 | S | 38.7 | Very low | 49.2 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 119.4 | 175.3 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | P177 | S175-P177 WeakPolarHBondContact O-CD 3.24Š|
| 176 | V | 48.6 | Very low | 50.6 | Low | 137 Ų | 137 | 122 Ų | 122 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 121.1 | 169.9 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | S174 A178 | S174-V176 PolarHBondContact O-N 3.05Å; V176-A178 PolarHBondContact O-N 3.27Å |
| 177 | P | 50 | Low | 52.1 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 135 | 176.1 | -19.6 | 32.1 | 0 | 0 | 0 | 109.8 | S175 | S175-P177 WeakPolarHBondContact O-CD 3.24Š|
| 178 | A | 49.6 | Very low | 53.3 | Low | 90 Ų | 90 | 122.7 Ų | 122.7 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 142.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | V176 | V176-A178 PolarHBondContact O-N 3.27Š|
| 179 | P | 59.9 | Low | 53.8 | Low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.3 | 179 | 26 | -34.4 | 0 | 0 | 0 | 110.7 | | |
| 180 | P | 63.3 | Low | 54.5 | Low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 139.9 | -179.9 | 26.3 | -34.3 | 0 | 0 | 0 | 110.9 | | |
| 181 | A | 69.3 | Low | 54.8 | Low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 182 | P | 68.7 | Low | 55.5 | Low | 114 Ų | 114 | 120.3 Ų | 120.3 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63 | 149.5 | 177.3 | 27.2 | -34.9 | 0 | 0 | 0 | 111.4 | | |
| 183 | P | 74.9 | Confident | 56.1 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 150.7 | -179.7 | 27.9 | -35.3 | 0 | 0 | 0 | 111.8 | | |
| 184 | P | 72.9 | Confident | 56.5 | Low | 117 Ų | 117 | 119.8 Ų | 119.8 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 149.5 | 177.3 | 28.2 | -35.2 | 0 | 0 | 0 | 111.5 | | |
| 185 | P | 70.3 | Confident | 56.6 | Low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 148.6 | 177.7 | 28.1 | -35.2 | 0 | 0 | 0 | 111.4 | T187 | P185-T187 PolarHBondContact O-N 3.41Š|
| 186 | P | 69.8 | Low | 56.7 | Low | 127 Ų | 127 | 123.9 Ų | 123.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 124.6 | -176.9 | 25.9 | -34.2 | 0 | 0 | 0 | 111.7 | | |
| 187 | T | 70.9 | Confident | 56.1 | Low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131.2 | 177.2 | -45.4 | 0 | 0 | 0 | 0 | 110.9 | P185 A189 | P185-T187 PolarHBondContact O-N 3.41Å; T187-A189 PolarHBondContact O-N 3.29Å |
| 188 | P | 59.1 | Low | 55.8 | Low | 119 Ų | 119 | 122.8 Ų | 122.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 127.4 | 176.5 | -27.1 | 35.5 | 0 | 0 | 0 | 112.1 | R190 | P188-R190 PolarHBondContact O-N 2.86Š|
| 189 | A | 50.9 | Low | 55.3 | Low | 102 Ų | 102 | 126.6 Ų | 126.6 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 118.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | T187 | T187-A189 PolarHBondContact O-N 3.29Š|
| 190 | R | 47.6 | Very low | 54.2 | Low | 238 Ų | 238 | 126.1 Ų | 126.1 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 133.4 | 176.4 | -164 | 179.4 | -169 | -144.4 | 4.6 | 109.3 | P188 S192 | P188-R190 PolarHBondContact O-N 2.86Å; R190-S192 PolarHBondContact O-N 2.9Å |
| 191 | P | 47.4 | Very low | 53 | Low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 126.6 | -179.4 | -26.2 | 34.8 | 0 | 0 | 0 | 112.4 | V193 | P191-V193 PolarHBondContact O-N 3.13Š|
| 192 | S | 50.3 | Low | 51.5 | Low | 98 Ų | 98 | 125.8 Ų | 125.8 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | trans | -71.4 | 112.8 | 171.1 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | R190 S194 | R190-S192 PolarHBondContact O-N 2.9Å; S192-S194 PolarHBondContact O-N 3.3Å; S192-S194 PolarHBondContact OG-OG 2.9Å; S192-S194 VanDerWaalsContact OG-OG 3.14Å |
| 193 | V | 46.5 | Very low | 50.2 | Low | 144 Ų | 144 | 127.2 Ų | 127.2 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | | | trans | -75.4 | 77.3 | 164.5 | -100.4 | 0 | 0 | 0 | 0 | 109.1 | P191 K195 | P191-V193 PolarHBondContact O-N 3.13Å; V193-K195 PolarHBondContact O-N 3.22Å; V193-K195 VanDerWaalsContact O-N 3.15Å |
| 194 | S | 42.1 | Very low | 48.6 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | trans | -65.3 | 109.7 | 179.2 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | S192 S196 | S192-S194 PolarHBondContact O-N 3.3Å; S192-S194 PolarHBondContact OG-OG 2.9Å; S192-S194 VanDerWaalsContact OG-OG 3.14Å; S194-S196 VanDerWaalsContact C-N 3.33Å; S194-S196 PolarHBondContact O-N 3.15Å |
| 195 | K | 38.8 | Very low | 47.2 | Very low | 201 Ų | 201 | 128.6 Ų | 128.6 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -72.6 | 84.7 | 170.1 | -71 | -178.3 | 177 | 179.7 | 0 | 109.9 | V193 S197 | V193-K195 PolarHBondContact O-N 3.22Å; V193-K195 VanDerWaalsContact O-N 3.15Å; K195-S197 VanDerWaalsContact C-N 3.35Å; K195-S197 PolarHBondContact O-N 3.5Å |
| 196 | S | 40.7 | Very low | 45.8 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -77.1 | 82.8 | 172.6 | 51.9 | 0 | 0 | 0 | 0 | 111 | S194 S198 | S194-S196 VanDerWaalsContact C-N 3.33Å; S194-S196 PolarHBondContact O-N 3.15Å; S196-S198 PolarHBondContact O-N 3.46Å |
| 197 | S | 35.1 | Very low | 44.5 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -86.2 | 91.2 | 169.7 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | K195 | K195-S197 VanDerWaalsContact C-N 3.35Å; K195-S197 PolarHBondContact O-N 3.5Å |
| 198 | S | 43.1 | Very low | 43 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | | | trans | -137.2 | 112.2 | 175.3 | 47.3 | 0 | 0 | 0 | 0 | 110.6 | S196 | S196-S198 PolarHBondContact O-N 3.46Š|
| 199 | I | 38.8 | Very low | 42 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | | | trans | -78.4 | 133.2 | 178.8 | -62.4 | 159.3 | 0 | 0 | 0 | 109.2 | | |
| 200 | S | 37.1 | Very low | 41.7 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -172.5 | 129.8 | 142.2 | -86.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 201 | S | 38.9 | Very low | 41.1 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | 64.3 | 106.1 | 136.7 | -53.6 | 0 | 0 | 0 | 0 | 122 | | |
| 202 | S | 38.1 | Very low | 40.6 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | | 65.2 | 107.4 | 128.7 | -150.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 203 | N | 41.8 | Very low | 40.1 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | | -170.5 | 125.6 | 97.9 | -91 | -14 | 0 | 0 | 0 | 113.6 | | |
| 204 | N | 41.2 | Very low | 39.8 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | 4.3 | 128.8 | 145.3 | -57.8 | -8 | 0 | 0 | 0 | 117.4 | | |
| 205 | N | 41.9 | Very low | 39.9 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | | -167.5 | 142.2 | 62.5 | -92 | -54.7 | 0 | 0 | 0 | 115 | | |
| 206 | N | 42.6 | Very low | 39.8 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | | | trans | 48 | 101.8 | 136 | -53.2 | -15 | 0 | 0 | 0 | 121.9 | | |
| 207 | N | 41.7 | Very low | 39.7 | Very low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | | 156.9 | 108.1 | 117.2 | -77.7 | -21.7 | 0 | 0 | 0 | 108.5 | | |
| 208 | S | 38.4 | Very low | 39.8 | Very low | 83 Ų | 83 | 148.6 Ų | 148.6 | 58% | 0.58 | 78% | 0.778 | S | S | * | * | | | | 56.5 | 115 | 67.4 | -152.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 209 | Y | 39.9 | Very low | 39.7 | Very low | 205 Ų | 205 | 147.8 Ų | 147.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | cis | -149.7 | 157.6 | 47.3 | -91.4 | -86.3 | 0 | 0 | 0 | 116.2 | | |
| 210 | L | 43.7 | Very low | 39.9 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | 53.8 | 124.1 | 146.8 | -75.2 | 158.4 | 0 | 0 | 0 | 122.5 | | |
| 211 | R | 36.1 | Very low | 40 | Very low | 207 Ų | 207 | 149.4 Ų | 149.4 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | | | trans | -83.3 | 177.3 | 158.4 | -71.8 | 172.5 | 163.2 | -123.2 | 0.1 | 111.5 | | |
| 212 | H | 36.1 | Very low | 40.2 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | | | trans | 83 | 126.7 | 164.5 | -46.8 | -80.4 | 0 | 0 | 0 | 114.4 | | |
| 213 | S | 40.1 | Very low | 40.3 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -156 | 160 | 46.4 | -69.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 214 | F | 40.5 | Very low | 40.9 | Very low | 209 Ų | 209 | 154 Ų | 154 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | trans | -84.3 | 121 | 166.8 | -73.8 | -96.1 | 0 | 0 | 0 | 110.6 | | |
| 215 | H | 42.6 | Very low | 41.2 | Very low | 189 Ų | 189 | 154.8 Ų | 154.8 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | | | trans | -143.6 | 131.6 | 157 | -86.7 | -69.1 | 0 | 0 | 0 | 112 | | |
| 216 | K | 37.6 | Very low | 42.1 | Very low | 204 Ų | 204 | 153.3 Ų | 153.3 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | -73.7 | 138.7 | 164.2 | -68.6 | 177.2 | 174.2 | 179.6 | 0 | 109.5 | | |
| 217 | K | 38.7 | Very low | 42.9 | Very low | 205 Ų | 205 | 153 Ų | 153 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | | -168.7 | 158 | 124.7 | -106.1 | 168.5 | -177.3 | -175.9 | 0 | 112.3 | | |
| 218 | S | 36.1 | Very low | 43.2 | Very low | 109 Ų | 109 | 152 Ų | 152 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -57.4 | 150.8 | 172.4 | 45.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 219 | S | 42.8 | Very low | 43.4 | Very low | 92 Ų | 92 | 154.4 Ų | 154.4 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | | -160.7 | 176 | 72 | -151 | 0 | 0 | 0 | 0 | 114.9 | | |
| 220 | E | 42.8 | Very low | 43.5 | Very low | 168 Ų | 168 | 153.1 Ų | 153.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | 36.4 | 111.7 | 160.9 | -76.1 | 140.3 | 117.2 | 0 | 0 | 120 | | |
| 221 | N | 39.4 | Very low | 43.6 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | | 88.2 | 74.1 | 66.5 | -173.1 | 35.6 | 0 | 0 | 0 | 113.2 | | |
| 222 | N | 42.3 | Very low | 44.3 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | -168.3 | 103.4 | 150.5 | -99.1 | -40.7 | 0 | 0 | 0 | 108.1 | | |
| 223 | Q | 40.8 | Very low | 45.1 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -130.4 | 128 | 172.8 | -82 | -67.2 | -42.7 | 0 | 0 | 108.9 | M225 | Q223-M225 PolarHBondContact O-N 3.19Š|
| 224 | P | 53.9 | Low | 45.1 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 129 | 178.5 | 28.9 | -33.3 | 0 | 0 | 0 | 110.1 | | |
| 225 | M | 48.3 | Very low | 45.1 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 135.4 | 179.3 | -164.8 | 174.1 | 73.4 | 0 | 0 | 110.3 | Q223 I228 | Q223-M225 PolarHBondContact O-N 3.19Å; M225-I228 HydrophobicContact CE-CD1 3.89Å; M225-I228 HydrophobicContact CE-CG1 4.24Å |
| 226 | P | 60.8 | Low | 44.9 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 149.3 | 174.5 | 27.6 | -34.8 | 0 | 0 | 0 | 110.9 | I228 | P226-I228 PolarHBondContact O-N 2.84Š|
| 227 | P | 58 | Low | 45 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 128.7 | -176 | 25.9 | -34.2 | 0 | 0 | 0 | 111.6 | V229 | P227-V229 PolarHBondContact O-N 3.44Š|
| 228 | I | 47.6 | Very low | 45 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 67% | 0.672 | 76% | 0.758 | S | S | * | * | | | trans | -69.6 | 114.7 | 175.7 | -63.3 | 171.2 | 0 | 0 | 0 | 108.7 | M225 P226 Q230 | M225-I228 HydrophobicContact CE-CD1 3.89Å; M225-I228 HydrophobicContact CE-CG1 4.24Å; P226-I228 PolarHBondContact O-N 2.84Å; I228-Q230 PolarHBondContact O-N 3.45Å; I228-Q230 VanDerWaalsContact O-N 3.13Å |
| 229 | V | 43.1 | Very low | 45.2 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -74.9 | 100.4 | 172.4 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | P227 S231 | P227-V229 PolarHBondContact O-N 3.44Å; V229-S231 PolarHBondContact O-N 3.17Å |
| 230 | Q | 42.9 | Very low | 45 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 122 | 171.9 | -73 | -173.7 | -15 | 0 | 0 | 110.5 | I228 | I228-Q230 PolarHBondContact O-N 3.45Å; I228-Q230 VanDerWaalsContact O-N 3.13Å |
| 231 | S | 44.7 | Very low | 44.7 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 137.9 | 170.8 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | V229 | V229-S231 PolarHBondContact O-N 3.17Š|
| 232 | P | 51.9 | Low | 44.7 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 146.9 | 171.7 | 28.5 | -34.4 | 0 | 0 | 0 | 110.8 | V234 | P232-V234 PolarHBondContact O-N 3.19Š|
| 233 | P | 51.7 | Low | 44.5 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 128.4 | -176.9 | 27 | -34.5 | 0 | 0 | 0 | 111.9 | Q235 | P233-Q235 PolarHBondContact O-N 3.27Š|
| 234 | V | 41 | Very low | 44.3 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -75 | 104.2 | 174.4 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | P232 V236 | P232-V234 PolarHBondContact O-N 3.19Å; V234-V236 HydrophobicContact CG1-CG2 4.24Å; V234-V236 PolarHBondContact O-N 3.28Å |
| 235 | Q | 41.1 | Very low | 43.5 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -79.2 | 105.8 | 171 | -67 | -171.7 | 4.3 | 0 | 0 | 110.2 | P233 I237 | P233-Q235 PolarHBondContact O-N 3.27Å; Q235-I237 PolarHBondContact O-N 2.95Å |
| 236 | V | 38.2 | Very low | 43 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | trans | -80.3 | 100.3 | 173.9 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | V234 M238 | V234-V236 HydrophobicContact CG1-CG2 4.24Å; V234-V236 PolarHBondContact O-N 3.28Å; V236-M238 PolarHBondContact O-N 3.14Å |
| 237 | I | 39 | Very low | 42 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | -77.8 | 103.6 | 173.4 | -60.5 | 177.1 | 0 | 0 | 0 | 108.7 | Q235 L239 | Q235-I237 PolarHBondContact O-N 2.95Å; I237-L239 PolarHBondContact O-N 2.99Å |
| 238 | M | 39.2 | Very low | 40.7 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -67.5 | 106.9 | 170.9 | -72.9 | -88.6 | -77.1 | 0 | 0 | 110 | V236 S240 | V236-M238 PolarHBondContact O-N 3.14Å; M238-S240 PolarHBondContact O-N 2.88Å; M238-S240 VanDerWaalsContact O-N 3.16Å |
| 239 | L | 39.3 | Very low | 40.5 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -76.8 | 96.7 | 171.6 | -75.1 | 168.2 | 0 | 0 | 0 | 109.8 | I237 S241 | I237-L239 PolarHBondContact O-N 2.99Å; L239-S241 PolarHBondContact O-N 3.08Å |
| 240 | S | 38.9 | Very low | 40.2 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 122.7 | 173.2 | 47 | 0 | 0 | 0 | 0 | 111.2 | M238 I242 | M238-S240 PolarHBondContact O-N 2.88Å; M238-S240 VanDerWaalsContact O-N 3.16Å; S240-I242 PolarHBondContact O-N 3.13Å |
| 241 | S | 37.5 | Very low | 40.1 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 131.8 | -179.9 | -48.9 | 0 | 0 | 0 | 0 | 112.3 | L239 | L239-S241 PolarHBondContact O-N 3.08Š|
| 242 | I | 39.3 | Very low | 40 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 82% | 0.821 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 128.3 | 162.5 | -61.8 | 179.1 | 0 | 0 | 0 | 107.5 | S240 | S240-I242 PolarHBondContact O-N 3.13Š|
| 243 | P | 38.2 | Very low | 39.7 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 141.1 | -173.5 | 28.4 | -35.1 | 0 | 0 | 0 | 112.8 | | |
| 244 | T | 35.1 | Very low | 39.5 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | | | trans | -76.9 | 115.9 | 165.5 | 49.3 | 0 | 0 | 0 | 0 | 110 | | |
| 245 | S | 37.8 | Very low | 39.5 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -119.8 | 119.5 | 175.7 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 246 | S | 38.2 | Very low | 39.2 | Very low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -85.8 | 124.6 | 179.8 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 247 | A | 39.4 | Very low | 39.6 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -162 | 110.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 248 | S | 31.7 | Very low | 39.5 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -97.1 | 137.7 | 147.9 | -61.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 249 | P | 42.3 | Very low | 39.9 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | | -145.7 | 179 | 94.9 | 38.8 | -22.8 | 0 | 0 | 0 | 115.1 | | |
| 250 | S | 37.5 | Very low | 40 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -55.6 | 140.7 | -179.9 | 52.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 251 | S | 41.3 | Very low | 39.8 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -162.7 | 171.4 | 134.5 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 252 | S | 41.5 | Very low | 39.7 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 157.3 | -167.5 | 43.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 253 | P | 45 | Very low | 39.6 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74 | 147 | 178.9 | 31.1 | -36.2 | 0 | 0 | 0 | 113.1 | | |
| 254 | P | 47.7 | Very low | 39.4 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 157.3 | 176 | 33.2 | -35.7 | 0 | 0 | 0 | 113.2 | | |
| 255 | P | 41 | Very low | 39.5 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 165 | -178.8 | 33.4 | -36.3 | 0 | 0 | 0 | 114.2 | | |
| 256 | R | 34.6 | Very low | 39.4 | Very low | 239 Ų | 239 | 132 Ų | 132 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 148.9 | 172.7 | -89.6 | 178.9 | 163.9 | -179.3 | -5.1 | 112.6 | | |
| 257 | V | 46.6 | Very low | 39.1 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | trans | -129.2 | 144 | 157.5 | -76.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 258 | T | 36.6 | Very low | 39 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | | | trans | -127.6 | 125.6 | 176.6 | 39.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 259 | P | 49.1 | Very low | 39.2 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | trans | -77.8 | 166.4 | 174.9 | 32.5 | -34.3 | 0 | 0 | 0 | 112.6 | | |
| 260 | L | 41.4 | Very low | 38.8 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | trans | -93.7 | 166.9 | -166.7 | -71 | 158.4 | 0 | 0 | 0 | 114.5 | | |
| 261 | Q | 34.7 | Very low | 39 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | | | trans | -104.3 | 135.8 | 179 | 172.8 | -174.5 | -11.9 | 0 | 0 | 111.2 | | |
| 262 | L | 35.8 | Very low | 38.9 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | trans | -143.7 | 150.8 | 173.4 | -98.7 | 97.5 | 0 | 0 | 0 | 112 | | |
| 263 | G | 36 | Very low | 39.1 | Very low | 58 Ų | 58 | 143.1 Ų | 143.1 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | | | trans | 86.4 | 121.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 264 | S | 35.2 | Very low | 38.8 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | cis | 68.1 | 128.1 | 25 | -38 | 0 | 0 | 0 | 0 | 112.5 | | |
| 265 | I | 36.8 | Very low | 38.5 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | | | cis | -145.3 | -176.3 | 3.8 | 14.9 | 170.2 | 0 | 0 | 0 | 108 | | |
| 266 | A | 35.6 | Very low | 38.4 | Very low | 89 Ų | 89 | 148.8 Ų | 148.8 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | | | cis | -149.3 | -152.5 | 20 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 267 | T | 31.1 | Very low | 38.8 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -137.2 | 138.6 | -172.6 | 48.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 268 | V | 38.1 | Very low | 38.4 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | -148.8 | 98.2 | 153.2 | -177.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 269 | H | 35.8 | Very low | 38.5 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.787 | 80% | 0.804 | S | S | * | * | | | | 91.4 | 146.7 | 89.5 | -147.9 | -73.7 | 0 | 0 | 0 | 113.9 | | |
| 270 | E | 34.5 | Very low | 37.8 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -94.5 | 163.7 | -158.7 | -51.9 | 168.7 | 134.8 | 0 | 0 | 114.2 | | |
| 271 | N | 41.9 | Very low | 37.7 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | | | trans | -159.3 | 142 | 130.1 | -103.1 | -35.9 | 0 | 0 | 0 | 111.1 | | |
| 272 | N | 38.6 | Very low | 38 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | -145.3 | 122.6 | -174.1 | 178 | 18.8 | 0 | 0 | 0 | 109.2 | | |
| 273 | I | 44.9 | Very low | 38.1 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | trans | -134.6 | 114 | 175.8 | -58.3 | -179.7 | 0 | 0 | 0 | 108.6 | D275 | I273-D275 WeakPolarHBondContact CG2-OD2 3.37Š|
| 274 | N | 38.2 | Very low | 38.3 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -109.3 | 110.9 | 161.1 | -74.2 | -59.4 | 0 | 0 | 0 | 107.2 | | |
| 275 | D | 41.6 | Very low | 38.5 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -96.1 | 127.1 | 169.1 | -81.9 | -50.8 | 0 | 0 | 0 | 110.4 | I273 | I273-D275 WeakPolarHBondContact CG2-OD2 3.37Š|
| 276 | M | 39.4 | Very low | 38.6 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | trans | -85.3 | 145.1 | 170 | -57.6 | -168.2 | -152.6 | 0 | 0 | 110.2 | | |
| 277 | N | 43.8 | Very low | 38.8 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -138.4 | 139.2 | 146.1 | -161.4 | -11.4 | 0 | 0 | 0 | 109.7 | | |
| 278 | S | 36.6 | Very low | 39.1 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | trans | -152.5 | 110.1 | -174.1 | -70.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 279 | N | 38.9 | Very low | 39.2 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | trans | 177.9 | 134.4 | 152.4 | -89.4 | -33.8 | 0 | 0 | 0 | 106.8 | | |
| 280 | S | 34.4 | Very low | 39.2 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | cis | 71.1 | 103.5 | 48.1 | -167.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 281 | T | 39.3 | Very low | 39.6 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | -167.6 | 151.7 | 137.8 | -76.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 282 | V | 40.8 | Very low | 39.8 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | trans | -99.2 | 176.3 | -167.4 | -73.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 283 | N | 39.3 | Very low | 40.6 | Very low | 129 Ų | 129 | 133 Ų | 133 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | | | trans | 105.9 | 107.4 | 146.8 | -67 | -22.5 | 0 | 0 | 0 | 121.9 | | |
| 284 | N | 38.6 | Very low | 40.7 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | | 83.5 | 159.9 | 119.8 | -73.1 | -14.7 | 0 | 0 | 0 | 123.8 | | |
| 285 | L | 41 | Very low | 41.1 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | 75.8 | 95.1 | 171.5 | -60.8 | 155.5 | 0 | 0 | 0 | 114.2 | | |
| 286 | N | 38 | Very low | 41.1 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | | 79.3 | 120.2 | 51.8 | -165.5 | 27.3 | 0 | 0 | 0 | 113.7 | | |
| 287 | G | 40.3 | Very low | 41 | Very low | 79 Ų | 79 | 124.6 Ų | 124.6 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | | | trans | 178.8 | 101.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 288 | T | 36.8 | Very low | 40.9 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | | | trans | -123.7 | 132.6 | -163 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | T290 | T288-T290 HydrophobicContact CG2-CG2 4.13Š|
| 289 | T | 39.9 | Very low | 40.8 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | | | trans | -177.4 | 105.8 | 151 | 27.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 290 | T | 37.4 | Very low | 41.1 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | | | | 69.5 | 105.9 | 64.7 | 67.7 | 0 | 0 | 0 | 0 | 116.4 | T288 | T288-T290 HydrophobicContact CG2-CG2 4.13Š|
| 291 | M | 42.3 | Very low | 41.4 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | | | trans | -167.9 | 160.3 | 145.4 | -96.1 | -88.6 | 102.8 | 0 | 0 | 108.6 | | |
| 292 | P | 46.3 | Very low | 41.3 | Very low | 96 Ų | 96 | 138 Ų | 138 | 62% | 0.623 | 79% | 0.786 | S | S | * | * | | | trans | -119.4 | 168 | -136 | 42.2 | -35.8 | 0 | 0 | 0 | 117.8 | | |
| 293 | P | 55.5 | Low | 41.5 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -102.1 | 141.5 | 173.2 | 37.8 | -32 | 0 | 0 | 0 | 114.6 | | |
| 294 | P | 46.2 | Very low | 41.3 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -145.6 | 176 | 151.7 | 37.6 | -21.7 | 0 | 0 | 0 | 114 | | |
| 295 | P | 47.8 | Very low | 41.4 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | | | cis | -129.3 | 164.4 | -30.6 | 34.6 | -18.4 | 0 | 0 | 0 | 113.7 | | |
| 296 | S | 40 | Very low | 41.2 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | -81.3 | 143.9 | 170.9 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 297 | G | 38.1 | Very low | 41.4 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -173.6 | 124.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 298 | R | 41.7 | Very low | 41.3 | Very low | 247 Ų | 247 | 142 Ų | 142 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | | | trans | 60.5 | 91.2 | 154.1 | -61.3 | -175.5 | 174.2 | -165.6 | -2.7 | 119.6 | | |
| 299 | S | 34.9 | Very low | 41.3 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -68.9 | 152.5 | 143.1 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 300 | P | 45.5 | Very low | 41.3 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -136.3 | 127.8 | 133.4 | 14.4 | 7.4 | 0 | 0 | 0 | 115.5 | | |
| 301 | R | 40.2 | Very low | 41.3 | Very low | 233 Ų | 233 | 153.6 Ų | 153.6 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | | 63.8 | 98.6 | 129 | -162.2 | -179.6 | -170.9 | -172.6 | 3.8 | 120.1 | | |
| 302 | R | 36.4 | Very low | 41.2 | Very low | 205 Ų | 205 | 156 Ų | 156 | 77% | 0.774 | 81% | 0.809 | S | S | * | * | | | trans | 20.4 | 117.7 | 141.3 | -70.2 | 173.3 | 61.2 | -164.1 | -0.2 | 118.4 | | |
| 303 | K | 44.7 | Very low | 40.8 | Very low | 215 Ų | 215 | 156.2 Ų | 156.2 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | | | | -133.6 | 145.4 | 123.8 | -84 | -158.3 | 175 | -175.5 | 0 | 110.7 | | |
| 304 | Q | 36.1 | Very low | 39.8 | Very low | 161 Ų | 161 | 154 Ų | 154 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | | | trans | -87.1 | 134.2 | 178.8 | -68.7 | 147.5 | -104.1 | 0 | 0 | 109.5 | | |
| 305 | S | 40.4 | Very low | 39.3 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -152.7 | 109.5 | 159.1 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | S307 | S305-S307 PolarHBondContact O-N 2.87Š|
| 306 | S | 36.8 | Very low | 39 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -81.2 | 100.5 | 177.3 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 307 | S | 43.1 | Very low | 38.9 | Very low | 106 Ų | 106 | 154.4 Ų | 154.4 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -116 | 117.6 | 170.2 | -173.2 | 0 | 0 | 0 | 0 | 110 | S305 R309 | S305-S307 PolarHBondContact O-N 2.87Å; S307-R309 VanDerWaalsContact C-N 3.34Å; S307-R309 PolarHBondContact O-N 2.91Å |
| 308 | N | 36.9 | Very low | 38.8 | Very low | 141 Ų | 141 | 154.1 Ų | 154.1 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | | | trans | -72.2 | 83.4 | -175.8 | -77 | -32.3 | 0 | 0 | 0 | 111.3 | Y310 | N308-Y310 WeakPolarHBondContact O-CD2 3.4Å; N308-Y310 PolarHBondContact O-N 3.08Å |
| 309 | R | 38.4 | Very low | 38.9 | Very low | 217 Ų | 217 | 145.9 Ų | 145.9 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | | | trans | -69.2 | 95.1 | 166.7 | -173.9 | 178.2 | -65.8 | 179.1 | 0.2 | 108.8 | S307 Q311 | S307-R309 VanDerWaalsContact C-N 3.34Å; S307-R309 PolarHBondContact O-N 2.91Å; R309-Q311 PolarHBondContact O-N 3.43Å |
| 310 | Y | 37.9 | Very low | 39.9 | Very low | 205 Ų | 205 | 147 Ų | 147 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -57.7 | 94 | 177.3 | -85.9 | -93.7 | 0 | 0 | 0 | 111.8 | N308 | N308-Y310 WeakPolarHBondContact O-CD2 3.4Å; N308-Y310 PolarHBondContact O-N 3.08Å |
| 311 | Q | 38.7 | Very low | 40.3 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -90.9 | 99.3 | 160 | -70.5 | -171.8 | -2.3 | 0 | 0 | 108.9 | R309 | R309-Q311 PolarHBondContact O-N 3.43Š|
| 312 | R | 39.3 | Very low | 40.4 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | | | trans | -127.1 | 89.4 | 155.3 | -76.9 | -169.6 | -178.2 | -104.8 | 1.1 | 108.2 | | |
| 313 | A | 39.2 | Very low | 40.7 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | | | trans | -71.7 | 154.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 314 | G | 33.5 | Very low | 40.7 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 81% | 0.814 | 74% | 0.74 | S | S | * | * | | | trans | 78.1 | 102.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 315 | S | 37 | Very low | 41.2 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | trans | 172.2 | 47.4 | 135.7 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | N317 | S315-N317 PolarHBondContact O-N 3.38Š|
| 316 | T | 40.7 | Very low | 41.2 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 87% | 0.871 | 73% | 0.73 | S | S | * | * | | | trans | -81.2 | 66.8 | 173.9 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | A318 | T316-A318 VanDerWaalsContact C-N 3.28Å; T316-A318 PolarHBondContact O-N 3.02Å; T316-A318 VanDerWaalsContact O-N 3.17Å |
| 317 | N | 37.6 | Very low | 41.4 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | | | trans | -83.3 | 78.4 | 164.5 | -76.4 | -8.6 | 0 | 0 | 0 | 108.8 | S315 | S315-N317 PolarHBondContact O-N 3.38Š|
| 318 | A | 36.8 | Very low | 41.3 | Very low | 67 Ų | 67 | 128.3 Ų | 128.3 | 55% | 0.554 | 73% | 0.734 | S | S | * | * | B | Isolated β-bridge | trans | -82.3 | 137.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | T316 | T316-A318 VanDerWaalsContact C-N 3.28Å; T316-A318 PolarHBondContact O-N 3.02Å; T316-A318 VanDerWaalsContact O-N 3.17Å |
| 319 | D | 43.1 | Very low | 41.5 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 40% | 0.396 | 74% | 0.735 | S | S | . | * | | | trans | -63.8 | 164.4 | 161.9 | 176.8 | 40.8 | 0 | 0 | 0 | 109.9 | N321 G322 V325 | D319-N321 PolarHBondContact O-N 3.16Å; D319-N321 PolarHBondContact OD2-ND2 3Å; D319-G322 PolarHBondContact O-N 2.87Å; D319-V325 HydrophobicContact CB-CG2 4.47Å |
| 320 | V | 54.9 | Low | 41.6 | Very low | 143 Ų | 143 | 126 Ų | 126 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -24.1 | 177.3 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 321 | N | 54.8 | Low | 41.7 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 6.5 | 177.2 | -57.5 | -70.9 | 0 | 0 | 0 | 114.9 | D319 I323 | D319-N321 PolarHBondContact O-N 3.16Å; D319-N321 PolarHBondContact OD2-ND2 3Å; N321-I323 VanDerWaalsContact C-N 3.26Å; N321-I323 HydrophobicContact CB-CD1 4.42Å; N321-I323 HydrophobicContact CB-CG1 4.34Å; N321-I323 PolarHBondContact O-N 2.95Å |
| 322 | G | 42.6 | Very low | 41.8 | Very low | 57 Ų | 57 | 120.3 Ų | 120.3 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | | | trans | 72.5 | 8.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D319 | D319-G322 PolarHBondContact O-N 2.87Š|
| 323 | I | 42.8 | Very low | 42 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 55% | 0.554 | 73% | 0.726 | S | S | * | * | | | trans | -77.1 | 131.5 | -178.5 | -57.1 | 178.7 | 0 | 0 | 0 | 109.8 | N321 V325 | N321-I323 VanDerWaalsContact C-N 3.26Å; N321-I323 HydrophobicContact CB-CD1 4.42Å; N321-I323 HydrophobicContact CB-CG1 4.34Å; N321-I323 PolarHBondContact O-N 2.95Å; I323-V325 PolarHBondContact O-N 3.48Å; I323-V325 VanDerWaalsContact O-N 3.15Å |
| 324 | P | 45.4 | Very low | 42.4 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | B | Isolated β-bridge | trans | -70.8 | 109 | 178.4 | 27.7 | -34 | 0 | 0 | 0 | 111.2 | G326 | P324-G326 PolarHBondContact O-N 2.86Å |
| 325 | V | 46.2 | Very low | 42.7 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | | | trans | -76 | 69.3 | 177.5 | -169 | 0 | 0 | 0 | 0 | 109.7 | D319 I323 | D319-V325 HydrophobicContact CB-CG2 4.47Å; I323-V325 PolarHBondContact O-N 3.48Å; I323-V325 VanDerWaalsContact O-N 3.15Å |
| 326 | G | 39.8 | Very low | 43 | Very low | 64 Ų | 64 | 122.4 Ų | 122.4 | 66% | 0.66 | 71% | 0.709 | S | S | * | * | | | trans | -134.9 | 17.7 | -156.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | P324 | P324-G326 PolarHBondContact O-N 2.86Š|
| 327 | Q | 41.2 | Very low | 43.1 | Very low | 186 Ų | 186 | 123 Ų | 123 | 87% | 0.869 | 71% | 0.707 | S | S | * | * | | | trans | -132.9 | 114.2 | 168.4 | -67.7 | -164.4 | 9.3 | 0 | 0 | 111.6 | T329 | Q327-T329 PolarHBondContact O-N 2.8Å; Q327-T329 VanDerWaalsContact O-N 3.12Å |
| 328 | S | 40.5 | Very low | 43.6 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | | | trans | -70.5 | 103.4 | 170.9 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | K330 | S328-K330 PolarHBondContact O-N 3.33Š|
| 329 | T | 41.4 | Very low | 43.9 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | | | trans | -59.5 | 96.9 | 170.5 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | Q327 V331 | Q327-T329 PolarHBondContact O-N 2.8Å; Q327-T329 VanDerWaalsContact O-N 3.12Å; T329-V331 PolarHBondContact O-N 3.47Å |
| 330 | K | 41 | Very low | 43.5 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 81% | 0.809 | 74% | 0.744 | S | S | * | * | | | trans | -66.7 | 99.2 | 172.9 | -73.6 | -170.8 | 176.9 | -175.9 | 0 | 108.7 | S328 I332 | S328-K330 PolarHBondContact O-N 3.33Å; K330-I332 VanDerWaalsContact C-N 3.28Å; K330-I332 PolarHBondContact O-N 3.28Å |
| 331 | V | 39.9 | Very low | 42.6 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | | | trans | -70.5 | 86.7 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | T329 R333 | T329-V331 PolarHBondContact O-N 3.47Å; V331-R333 PolarHBondContact O-N 3.3Å; V331-R333 VanDerWaalsContact O-N 3.13Å |
| 332 | I | 39.9 | Very low | 41.8 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | | | trans | -68 | 107.6 | 170.1 | -59 | 176.1 | 0 | 0 | 0 | 107.2 | K330 I334 | K330-I332 VanDerWaalsContact C-N 3.28Å; K330-I332 PolarHBondContact O-N 3.28Å; I332-I334 HydrophobicContact CG2-CG1 4.19Å; I332-I334 PolarHBondContact O-N 3.43Å; I332-I334 VanDerWaalsContact O-N 3.1Å |
| 333 | R | 44.6 | Very low | 42.1 | Very low | 230 Ų | 230 | 130 Ų | 130 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | | | trans | -72.4 | 100.3 | 169 | -63.3 | -172.1 | -167.8 | -174.8 | 5.4 | 108.3 | V331 S335 | V331-R333 PolarHBondContact O-N 3.3Å; V331-R333 VanDerWaalsContact O-N 3.13Å; R333-S335 PolarHBondContact O-N 2.95Å; R333-S335 VanDerWaalsContact O-N 3.13Å |
| 334 | I | 46.6 | Very low | 41.8 | Very low | 148 Ų | 148 | 131 Ų | 131 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | -75.4 | 98.1 | 168.4 | -57.5 | 176.7 | 0 | 0 | 0 | 107.1 | I332 S336 | I332-I334 HydrophobicContact CG2-CG1 4.19Å; I332-I334 PolarHBondContact O-N 3.43Å; I332-I334 VanDerWaalsContact O-N 3.1Å; I334-S336 PolarHBondContact O-N 2.86Å |
| 335 | S | 39 | Very low | 41.9 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | trans | -73.4 | 90 | 171.9 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | R333 N337 | R333-S335 PolarHBondContact O-N 2.95Å; R333-S335 VanDerWaalsContact O-N 3.13Å; S335-N337 VanDerWaalsContact C-N 3.33Å; S335-N337 PolarHBondContact O-N 2.83Å |
| 336 | S | 44.9 | Very low | 41.8 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | trans | -74.9 | 82.8 | 175.6 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | I334 I338 | I334-S336 PolarHBondContact O-N 2.86Å; S336-I338 PolarHBondContact O-N 2.85Å |
| 337 | N | 42.1 | Very low | 41.6 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -71.7 | 71.7 | 170.9 | -72.4 | 23.8 | 0 | 0 | 0 | 109.9 | S335 | S335-N337 VanDerWaalsContact C-N 3.33Å; S335-N337 PolarHBondContact O-N 2.83Å |
| 338 | I | 49 | Very low | 41.4 | Very low | 137 Ų | 137 | 130 Ų | 130 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | | | trans | -111.4 | 70.7 | 179 | -49.5 | 173.4 | 0 | 0 | 0 | 108.1 | S336 | S336-I338 PolarHBondContact O-N 2.85Š|
| 339 | N | 42.5 | Very low | 41.3 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 174.6 | 149.8 | 149.5 | -88.8 | -19.8 | 0 | 0 | 0 | 109.4 | | |
| 340 | G | 35.1 | Very low | 41.1 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | | | trans | -55.5 | 130.7 | -161.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 341 | S | 35.4 | Very low | 40.9 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | | -159.3 | 139.7 | 117.7 | -165.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 342 | L | 38.4 | Very low | 40.7 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | | | trans | -77.8 | 127.1 | 165.7 | -169.3 | 74.8 | 0 | 0 | 0 | 107.3 | D344 | L342-D344 PolarHBondContact O-N 3.36Š|
| 343 | P | 47.6 | Very low | 40.6 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | trans | -73.7 | 108.8 | 161 | 29.7 | -28.6 | 0 | 0 | 0 | 107.2 | | |
| 344 | D | 36.4 | Very low | 40.1 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | | | trans | -55.8 | 141.6 | 176 | -77.7 | -49 | 0 | 0 | 0 | 110.9 | L342 | L342-D344 PolarHBondContact O-N 3.36Š|
| 345 | P | 48.2 | Very low | 39.8 | Very low | 97 Ų | 97 | 120.4 Ų | 120.4 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | | | trans | -61.8 | 146.9 | 168.1 | 29.4 | -34.2 | 0 | 0 | 0 | 109.2 | S347 | P345-S347 PolarHBondContact O-N 2.92Š|
| 346 | P | 43.6 | Very low | 39.9 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | trans | -59.8 | 115.2 | -178.5 | 24.6 | -33.9 | 0 | 0 | 0 | 110.5 | T348 | P346-T348 PolarHBondContact O-N 2.88Š|
| 347 | S | 36.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 122.4 | -177.6 | -48 | 0 | 0 | 0 | 0 | 111 | P345 | P345-S347 PolarHBondContact O-N 2.92Š|
| 348 | T | 37.2 | Very low | 39.8 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137 | 168.8 | 37.4 | 0 | 0 | 0 | 0 | 109.5 | P346 S350 | P346-T348 PolarHBondContact O-N 2.88Å; T348-S350 PolarHBondContact O-N 2.9Å |
| 349 | P | 37 | Very low | 39.2 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 120.3 | 177.6 | 25.9 | -33 | 0 | 0 | 0 | 109.8 | | |
| 350 | S | 37.6 | Very low | 39 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 144.9 | -179 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | T348 I352 | T348-S350 PolarHBondContact O-N 2.9Å; S350-I352 PolarHBondContact O-N 2.89Å |
| 351 | S | 36.9 | Very low | 39.4 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | -45 | 125.8 | 173.1 | 177.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 352 | I | 37.2 | Very low | 39.7 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | -125.4 | 102.7 | 159.9 | -63.9 | -176.8 | 0 | 0 | 0 | 108.5 | S350 | S350-I352 PolarHBondContact O-N 2.89Š|
| 353 | V | 36.2 | Very low | 39.7 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | | | trans | 37.3 | 106.6 | 142.7 | -169.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 354 | N | 35.3 | Very low | 39.4 | Very low | 155 Ų | 155 | 133 Ų | 133 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | | -152.7 | 114.5 | 123.1 | -148.7 | 15.3 | 0 | 0 | 0 | 111.9 | | |
| 355 | P | 40.6 | Very low | 39.9 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 51% | 0.506 | 78% | 0.775 | S | S | . | * | | | trans | -83.9 | 168.2 | 168 | 33.9 | -31.6 | 0 | 0 | 0 | 111.8 | | |
| 356 | Y | 40.1 | Very low | 39.4 | Very low | 214 Ų | 214 | 137.5 Ų | 137.5 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | 67.6 | 102.8 | 177.5 | -51.5 | -81.5 | 0 | 0 | 0 | 117 | | |
| 357 | L | 45 | Very low | 39.2 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | | -173.2 | 131.6 | 117.7 | -98 | 173.4 | 0 | 0 | 0 | 109.5 | | |
| 358 | P | 41 | Very low | 39.4 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -103.2 | 131.7 | -174 | 36.1 | -31.4 | 0 | 0 | 0 | 115.4 | | |
| 359 | S | 36.2 | Very low | 39.8 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | 58.1 | 150.7 | 140.7 | -139.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 360 | S | 38.2 | Very low | 40 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | 59.5 | 96.6 | 153.4 | 60.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 361 | V | 43.7 | Very low | 40.2 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -145.8 | 116.2 | 132 | -165.4 | 0 | 0 | 0 | 0 | 104.4 | | |
| 362 | Y | 41.5 | Very low | 40.5 | Very low | 204 Ų | 204 | 149 Ų | 149 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | | 45.3 | 137.5 | 91 | -74.8 | -87.8 | 0 | 0 | 0 | 114 | | |
| 363 | D | 38 | Very low | 41.1 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | cis | -165.8 | -170 | -12.4 | -156 | -16.2 | 0 | 0 | 0 | 108.8 | | |
| 364 | M | 40.3 | Very low | 41.9 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | 59.4 | 103.9 | 161.5 | -62.9 | -152.5 | -57 | 0 | 0 | 118.2 | | |
| 365 | N | 46.8 | Very low | 43.3 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | | | | -162 | 98.4 | 122.2 | -100.6 | -52.4 | 0 | 0 | 0 | 109.3 | | |
| 366 | N | 38.9 | Very low | 44.5 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -143.1 | 159.7 | 179.6 | -154.3 | -13.7 | 0 | 0 | 0 | 109.2 | | |
| 367 | Y | 38.3 | Very low | 46.2 | Very low | 211 Ų | 211 | 144.3 Ų | 144.3 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | 66.4 | 91.9 | -172.1 | -56.7 | -86.5 | 0 | 0 | 0 | 117 | | |
| 368 | T | 41.9 | Very low | 48 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | | | | -144.7 | 143.4 | 122.3 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 369 | A | 45.2 | Very low | 50.1 | Low | 75 Ų | 75 | 141.3 Ų | 141.3 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | | | trans | -52.5 | 150.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 370 | N | 40.7 | Very low | 52.3 | Low | 156 Ų | 156 | 141.5 Ų | 141.5 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | 56.9 | 95.7 | 138 | -62.7 | -16.1 | 0 | 0 | 0 | 119.6 | | |
| 371 | S | 43.2 | Very low | 54.6 | Low | 121 Ų | 121 | 142.3 Ų | 142.3 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -138 | 131.9 | 136.7 | -85 | 0 | 0 | 0 | 0 | 110.6 | A373 | S371-A373 PolarHBondContact O-N 3.14Š|
| 372 | R | 41.4 | Very low | 56.6 | Low | 247 Ų | 247 | 141.4 Ų | 141.4 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | | | trans | -80.3 | 61.6 | -168.9 | -168.6 | -179.9 | -178.5 | 167.9 | 0.1 | 111.6 | H374 | R372-H374 PolarHBondContact O-N 3.06Š|
| 373 | A | 51.1 | Low | 58.6 | Low | 92 Ų | 92 | 137.2 Ų | 137.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 130.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | S371 | S371-A373 PolarHBondContact O-N 3.14Š|
| 374 | H | 53.3 | Low | 60.7 | Low | 166 Ų | 166 | 136.2 Ų | 136.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 147.2 | 171.9 | -81.9 | -114 | 0 | 0 | 0 | 109.8 | R372 T376 | R372-H374 PolarHBondContact O-N 3.06Å; H374-T376 PolarHBondContact O-N 3.12Å; H374-T376 VanDerWaalsContact O-N 3.08Å |
| 375 | P | 63.3 | Low | 62.6 | Low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 119.2 | 168.7 | 26 | -33.3 | 0 | 0 | 0 | 108.4 | | |
| 376 | T | 67.3 | Low | 63.7 | Low | 128 Ų | 128 | 131.4 Ų | 131.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 127.7 | 174.1 | 44.7 | 0 | 0 | 0 | 0 | 108.6 | H374 | H374-T376 PolarHBondContact O-N 3.12Å; H374-T376 VanDerWaalsContact O-N 3.08Å |
| 377 | P | 75.2 | Confident | 64.6 | Low | 112 Ų | 112 | 133.6 Ų | 133.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 148.1 | 178.6 | 26.2 | -34.2 | 0 | 0 | 0 | 110.1 | | |
| 378 | P | 82.9 | Confident | 65.2 | Low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 149.2 | 175.6 | 26.6 | -34.7 | 0 | 0 | 0 | 110.4 | | |
| 379 | P | 84.1 | Confident | 65.8 | Low | 116 Ų | 116 | 130.2 Ų | 130.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 146.8 | 176.8 | 26.1 | -34.4 | 0 | 0 | 0 | 110.5 | | |
| 380 | P | 84 | Confident | 65.6 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 149.4 | 175.9 | 27.5 | -34.8 | 0 | 0 | 0 | 110.5 | | |
| 381 | P | 85.4 | Confident | 65.6 | Low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 149.3 | 176.2 | 27 | -34.8 | 0 | 0 | 0 | 110.7 | | |
| 382 | P | 85.6 | Confident | 65.3 | Low | 116 Ų | 116 | 132.4 Ų | 132.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148.4 | 175.8 | 26.6 | -34.6 | 0 | 0 | 0 | 110.6 | | |
| 383 | P | 84.1 | Confident | 65.2 | Low | 116 Ų | 116 | 124.9 Ų | 124.9 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 145.3 | 175.6 | 26.8 | -34.5 | 0 | 0 | 0 | 110.1 | | |
| 384 | P | 82.2 | Confident | 64.7 | Low | 111 Ų | 111 | 125.7 Ų | 125.7 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 145.7 | 176.5 | 26.4 | -34.4 | 0 | 0 | 0 | 110.1 | | |
| 385 | P | 79.3 | Confident | 64 | Low | 108 Ų | 108 | 124.1 Ų | 124.1 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 145.4 | 174.7 | 25.9 | -34.4 | 0 | 0 | 0 | 109.8 | Q387 | P385-Q387 PolarHBondContact O-N 2.89Å; P385-Q387 VanDerWaalsContact O-N 3.07Å |
| 386 | P | 70.8 | Confident | 62.8 | Low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 120 | -179.7 | 24.2 | -33.5 | 0 | 0 | 0 | 109.2 | Q388 | P386-Q388 PolarHBondContact O-N 3.18Š|
| 387 | Q | 57.2 | Low | 61.6 | Low | 191 Ų | 191 | 123.7 Ų | 123.7 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | | | trans | -60.1 | 113 | 178.5 | -71.1 | -175.2 | -10.8 | 0 | 0 | 108.8 | P385 | P385-Q387 PolarHBondContact O-N 2.89Å; P385-Q387 VanDerWaalsContact O-N 3.07Å |
| 388 | Q | 51.7 | Low | 60.4 | Low | 167 Ų | 167 | 123.7 Ų | 123.7 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | | | trans | -59 | 139.8 | 166.8 | -70.1 | -176.2 | -37.3 | 0 | 0 | 108.2 | P386 S390 | P386-Q388 PolarHBondContact O-N 3.18Å; Q388-S390 PolarHBondContact O-N 2.82Å; Q388-S390 PolarHBondContact O-OG 2.83Å |
| 389 | P | 54 | Low | 58.8 | Low | 124 Ų | 124 | 124.8 Ų | 124.8 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | | | trans | -67.5 | 98.7 | -178.5 | 26 | -33.4 | 0 | 0 | 0 | 110.4 | S391 | P389-S391 PolarHBondContact O-N 2.84Š|
| 390 | S | 40.7 | Very low | 57.2 | Low | 124 Ų | 124 | 124.6 Ų | 124.6 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -72.7 | 62 | -177.3 | -61.8 | 0 | 0 | 0 | 0 | 113.8 | Q388 | Q388-S390 PolarHBondContact O-N 2.82Å; Q388-S390 PolarHBondContact O-OG 2.83Å |
| 391 | S | 40.4 | Very low | 55.7 | Low | 96 Ų | 96 | 123.2 Ų | 123.2 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | | | trans | -161.5 | 101.9 | 153.1 | 42.6 | 0 | 0 | 0 | 0 | 111.1 | P389 S393 | P389-S391 PolarHBondContact O-N 2.84Å; S391-S393 PolarHBondContact O-N 2.87Å |
| 392 | L | 37.1 | Very low | 54.2 | Low | 179 Ų | 179 | 121.9 Ų | 121.9 | 94% | 0.937 | 70% | 0.697 | S | S | * | * | | | trans | -72.9 | 68.5 | 167.5 | -82.7 | 162 | 0 | 0 | 0 | 110.7 | | |
| 393 | S | 40.3 | Very low | 53 | Low | 89 Ų | 89 | 123.2 Ų | 123.2 | 62% | 0.622 | 70% | 0.698 | S | S | * | * | | | trans | -71 | 121 | 150.5 | -69.2 | 0 | 0 | 0 | 0 | 106.9 | S391 M395 | S391-S393 PolarHBondContact O-N 2.87Å; S393-M395 PolarHBondContact O-N 3.27Å |
| 394 | P | 38.9 | Very low | 52.3 | Low | 108 Ų | 108 | 121.4 Ų | 121.4 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | | | trans | -69.3 | 99.3 | -172.8 | 26.7 | -34.1 | 0 | 0 | 0 | 110.8 | N396 | P394-N396 PolarHBondContact O-N 2.88Š|
| 395 | M | 39.7 | Very low | 52 | Low | 134 Ų | 134 | 122.3 Ų | 122.3 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | | | trans | -72.7 | 41 | 170.8 | -74.7 | -166.7 | 164.8 | 0 | 0 | 112.6 | S393 N397 Y398 | S393-M395 PolarHBondContact O-N 3.27Å; M395-N397 PolarHBondContact O-N 3.45Å; M395-Y398 HydrophobicContact CB-CD2 3.99Å; M395-Y398 HydrophobicContact CB-CE2 3.99Å; M395-Y398 HydrophobicContact CE-CE2 4.08Å; M395-Y398 HydrophobicContact CG-CD2 4.4Å; M395-Y398 HydrophobicContact CG-CE2 3.88Å; M395-Y398 HydrophobicContact SD-CD2 4.26Å; M395-Y398 HydrophobicContact SD-CE2 3.47Å; M395-Y398 WeakPolarHBondContact SD-CE2 3.49Å |
| 396 | N | 38.3 | Very low | 51.9 | Low | 153 Ų | 153 | 119.6 Ų | 119.6 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | | | trans | -75.6 | 69.8 | 173.2 | -72.9 | -8 | 0 | 0 | 0 | 110.3 | P394 | P394-N396 PolarHBondContact O-N 2.88Š|
| 397 | N | 42.6 | Very low | 51.9 | Low | 87 Ų | 87 | 114.4 Ų | 114.4 | 47% | 0.465 | 63% | 0.633 | S | S | . | * | | | trans | 166.6 | 75.6 | 140.9 | -174.3 | 3.1 | 0 | 0 | 0 | 110.3 | M395 N399 D400 | M395-N397 PolarHBondContact O-N 3.45Å; N397-N399 VanDerWaalsContact C-N 3.31Å; N397-N399 PolarHBondContact OD1-N 3Å; N397-D400 PolarHBondContact ND2-OD2 3.07Å |
| 398 | Y | 48.2 | Very low | 52.9 | Low | 111 Ų | 111 | 109.8 Ų | 109.8 | 44% | 0.435 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | 8.8 | 176.8 | -107.1 | -109.3 | 0 | 0 | 0 | 114.5 | M395 N402 | M395-Y398 HydrophobicContact CB-CD2 3.99Å; M395-Y398 HydrophobicContact CB-CE2 3.99Å; M395-Y398 HydrophobicContact CE-CE2 4.08Å; M395-Y398 HydrophobicContact CG-CD2 4.4Å; M395-Y398 HydrophobicContact CG-CE2 3.88Å; M395-Y398 HydrophobicContact SD-CD2 4.26Å; M395-Y398 HydrophobicContact SD-CE2 3.47Å; M395-Y398 WeakPolarHBondContact SD-CE2 3.49Å; Y398-N402 PolarHBondContact O-ND2 3.5Å |
| 399 | N | 49.7 | Very low | 54.1 | Low | 137 Ų | 137 | 105 Ų | 105 | 73% | 0.733 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -33.3 | -177.9 | -76.3 | -17.8 | 0 | 0 | 0 | 113.2 | N397 | N397-N399 VanDerWaalsContact C-N 3.31Å; N397-N399 PolarHBondContact OD1-N 3Å |
| 400 | D | 50.4 | Low | 55.2 | Low | 111 Ų | 111 | 106.2 Ų | 106.2 | 59% | 0.594 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -39.7 | -178.9 | -69.3 | -37.6 | 0 | 0 | 0 | 113.3 | N397 N402 N403 | N397-D400 PolarHBondContact ND2-OD2 3.07Å; D400-N402 VanDerWaalsContact C-N 3.26Å; D400-N402 PolarHBondContact O-N 3.07Å; D400-N403 PolarHBondContact O-N 3.11Å |
| 401 | D | 53.3 | Low | 57 | Low | 87 Ų | 87 | 105.3 Ų | 105.3 | 47% | 0.465 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -69.3 | -20 | -171.6 | -123 | -35.6 | 0 | 0 | 0 | 114.2 | N403 N404 S407 | D401-N403 VanDerWaalsContact C-N 3.27Å; D401-N403 PolarHBondContact O-N 3.02Å; D401-N404 PolarHBondContact O-N 3.3Å; D401-S407 WeakPolarHBondContact O-CB 3.34Å; D401-S407 WeakPolarHBondContact OD1-CB 3.48Å; D401-S407 PolarHBondContact OD1-OG 2.79Å |
| 402 | N | 54.3 | Low | 58.7 | Low | 87 Ų | 87 | 106 Ų | 106 | 47% | 0.465 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -75.4 | -12.8 | 178.6 | -74.4 | -53.3 | 0 | 0 | 0 | 113.6 | Y398 D400 R411 | Y398-N402 PolarHBondContact O-ND2 3.5Å; D400-N402 VanDerWaalsContact C-N 3.26Å; D400-N402 PolarHBondContact O-N 3.07Å; N402-R411 PolarHBondContact OD1-NH1 3.4Å |
| 403 | N | 59.1 | Low | 60.5 | Low | 145 Ų | 145 | 103.2 Ų | 103.2 | 78% | 0.775 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -95 | -7.9 | 173.3 | -73.1 | -39 | 0 | 0 | 0 | 113.4 | D400 D401 I405 | D400-N403 PolarHBondContact O-N 3.11Å; D401-N403 VanDerWaalsContact C-N 3.27Å; D401-N403 PolarHBondContact O-N 3.02Å; N403-I405 PolarHBondContact O-N 3.13Å |
| 404 | N | 71 | Confident | 62 | Low | 77 Ų | 77 | 102.7 Ų | 102.7 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | | | trans | -85.5 | 115.3 | -178.8 | -171.6 | -13 | 0 | 0 | 0 | 111.6 | D401 A406 S407 L408 | D401-N404 PolarHBondContact O-N 3.3Å; N404-A406 PolarHBondContact O-N 3.4Å; N404-A406 WeakPolarHBondContact OD1-CB 3.31Å; N404-A406 PolarHBondContact OD1-N 2.85Å; N404-S407 PolarHBondContact O-N 3.09Å; N404-L408 PolarHBondContact O-N 3.45Å |
| 405 | I | 75.5 | Confident | 63.7 | Low | 130 Ų | 130 | 105.3 Ų | 105.3 | 67% | 0.667 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -55.1 | -37 | 177.3 | -61.9 | 174.5 | 0 | 0 | 0 | 111.4 | N403 S407 L408 V409 | N403-I405 PolarHBondContact O-N 3.13Å; I405-S407 VanDerWaalsContact C-N 3.28Å; I405-S407 PolarHBondContact O-N 2.59Å; I405-L408 PolarHBondContact O-N 3.06Å; I405-V409 HydrophobicContact CG2-CG2 4.11Å; I405-V409 WeakPolarHBondContact O-CB 3.43Å; I405-V409 VanDerWaalsContact O-CG2 3.31Å; I405-V409 WeakPolarHBondContact O-CG2 3.43Å; I405-V409 PolarHBondContact O-N 3.13Å |
| 406 | A | 75.8 | Confident | 65.1 | Low | 52 Ų | 52 | 105.5 Ų | 105.5 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.3 | -24.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N404 R410 | N404-A406 PolarHBondContact O-N 3.4Å; N404-A406 WeakPolarHBondContact OD1-CB 3.31Å; N404-A406 PolarHBondContact OD1-N 2.85Å; A406-R410 WeakPolarHBondContact O-CG 3.39Å; A406-R410 PolarHBondContact O-N 2.82Å; A406-R410 PolarHBondContact O-NE 3.1Å |
| 407 | S | 71.2 | Confident | 65.9 | Low | 14 Ų | 14 | 103.8 Ų | 103.8 | 10% | 0.098 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -83.1 | -32.4 | 173 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | D401 N404 I405 R410 R411 | D401-S407 WeakPolarHBondContact O-CB 3.34Å; D401-S407 WeakPolarHBondContact OD1-CB 3.48Å; D401-S407 PolarHBondContact OD1-OG 2.79Å; N404-S407 PolarHBondContact O-N 3.09Å; I405-S407 VanDerWaalsContact C-N 3.28Å; I405-S407 PolarHBondContact O-N 2.59Å; S407-R410 PolarHBondContact OG-NH2 2.84Å; S407-R411 WeakPolarHBondContact O-CB 3.4Å; S407-R411 WeakPolarHBondContact O-CG 3.21Å; S407-R411 PolarHBondContact O-N 2.96Å |
| 408 | L | 77.9 | Confident | 66.6 | Low | 94 Ų | 94 | 107.6 Ų | 107.6 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 171.7 | -167.5 | 72.6 | 0 | 0 | 0 | 112.6 | N404 I405 R411 F412 | N404-L408 PolarHBondContact O-N 3.45Å; I405-L408 PolarHBondContact O-N 3.06Å; L408-R411 CarbonylContact O-C 3.55Å; L408-R411 WeakPolarHBondContact O-CB 3.35Å; L408-R411 PolarHBondContact O-N 3.16Å; L408-F412 HydrophobicContact CG-CD2 4.4Å; L408-F412 PolarHBondContact O-N 3.35Å |
| 409 | V | 78.4 | Confident | 67 | Low | 65 Ų | 65 | 107.1 Ų | 107.1 | 39% | 0.394 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -49.3 | 178 | 168 | 0 | 0 | 0 | 0 | 110.8 | I405 R411 F412 E413 | I405-V409 HydrophobicContact CG2-CG2 4.11Å; I405-V409 WeakPolarHBondContact O-CB 3.43Å; I405-V409 VanDerWaalsContact O-CG2 3.31Å; I405-V409 WeakPolarHBondContact O-CG2 3.43Å; I405-V409 PolarHBondContact O-N 3.13Å; V409-R411 VanDerWaalsContact C-N 3.28Å; V409-R411 PolarHBondContact O-N 3.15Å; V409-F412 WeakPolarHBondContact O-CA 3.44Å; V409-F412 WeakPolarHBondContact O-CB 3.37Å; V409-F412 PolarHBondContact O-N 2.78Å; V409-E413 HydrophobicContact CG1-CG 4.3Å; V409-E413 WeakPolarHBondContact O-CG 3.04Å; V409-E413 PolarHBondContact O-N 3.13Å |
| 410 | R | 76.2 | Confident | 67.2 | Low | 150 Ų | 150 | 108.4 Ų | 108.4 | 57% | 0.566 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.3 | -36.6 | 175.6 | -75.4 | 178.9 | -68.9 | 169.9 | 3.7 | 112.6 | A406 S407 F412 S414 | A406-R410 WeakPolarHBondContact O-CG 3.39Å; A406-R410 PolarHBondContact O-N 2.82Å; A406-R410 PolarHBondContact O-NE 3.1Å; S407-R410 PolarHBondContact OG-NH2 2.84Å; R410-F412 VanDerWaalsContact C-N 3.27Å; R410-F412 PolarHBondContact O-N 3.24Å; R410-S414 VanDerWaalsContact O-CB 3.24Å; R410-S414 WeakPolarHBondContact O-CB 3.33Å; R410-S414 PolarHBondContact O-N 3.27Å; R410-S414 PolarHBondContact O-OG 3.25Å |
| 411 | R | 77.9 | Confident | 67.2 | Low | 106 Ų | 106 | 108.6 Ų | 108.6 | 40% | 0.4 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.1 | -12.7 | 171.6 | -84.9 | 179 | 167 | 171.9 | -0.4 | 114.6 | N402 S407 L408 V409 R415 | N402-R411 PolarHBondContact OD1-NH1 3.4Å; S407-R411 WeakPolarHBondContact O-CB 3.4Å; S407-R411 WeakPolarHBondContact O-CG 3.21Å; S407-R411 PolarHBondContact O-N 2.96Å; L408-R411 CarbonylContact O-C 3.55Å; L408-R411 WeakPolarHBondContact O-CB 3.35Å; L408-R411 PolarHBondContact O-N 3.16Å; V409-R411 VanDerWaalsContact C-N 3.28Å; V409-R411 PolarHBondContact O-N 3.15Å; R411-R415 PolarHBondContact O-NE 3.11Å; R411-R415 PolarHBondContact O-NH2 2.99Å |
| 412 | F | 76.6 | Confident | 66.5 | Low | 109 Ų | 109 | 107.4 Ų | 107.4 | 48% | 0.478 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -90.1 | -49 | 170.1 | -102.4 | -80.9 | 0 | 0 | 0 | 110.3 | L408 V409 R410 S414 R415 F416 | L408-F412 HydrophobicContact CG-CD2 4.4Å; L408-F412 PolarHBondContact O-N 3.35Å; V409-F412 WeakPolarHBondContact O-CA 3.44Å; V409-F412 WeakPolarHBondContact O-CB 3.37Å; V409-F412 PolarHBondContact O-N 2.78Å; R410-F412 VanDerWaalsContact C-N 3.27Å; R410-F412 PolarHBondContact O-N 3.24Å; F412-S414 VanDerWaalsContact C-N 3.32Å; F412-S414 PolarHBondContact O-N 2.88Å; F412-R415 PolarHBondContact O-N 3.23Å; F412-F416 HydrophobicContact CD1-CE2 4.23Å; F412-F416 WeakPolarHBondContact O-CD2 3.28Å; F412-F416 PolarHBondContact O-N 3Å |
| 413 | E | 76 | Confident | 66.4 | Low | 121 Ų | 121 | 109 Ų | 109 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -56.6 | -43.7 | 175.5 | -67.1 | 169.2 | 157.9 | 0 | 0 | 111.6 | V409 R415 F416 | V409-E413 HydrophobicContact CG1-CG 4.3Å; V409-E413 WeakPolarHBondContact O-CG 3.04Å; V409-E413 PolarHBondContact O-N 3.13Å; E413-R415 PolarHBondContact O-N 3.14Å; E413-R415 VanDerWaalsContact O-N 3.08Å; E413-F416 CarbonylContact O-C 3.51Å; E413-F416 WeakPolarHBondContact O-CA 3.46Å; E413-F416 PolarHBondContact O-N 3.17Å |
| 414 | S | 71.7 | Confident | 66.1 | Low | 79 Ų | 79 | 106.5 Ų | 106.5 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -8.5 | 177.5 | 80.2 | 0 | 0 | 0 | 0 | 114.8 | R410 F412 | R410-S414 VanDerWaalsContact O-CB 3.24Å; R410-S414 WeakPolarHBondContact O-CB 3.33Å; R410-S414 PolarHBondContact O-N 3.27Å; R410-S414 PolarHBondContact O-OG 3.25Å; F412-S414 VanDerWaalsContact C-N 3.32Å; F412-S414 PolarHBondContact O-N 2.88Å |
| 415 | R | 73.3 | Confident | 65.2 | Low | 163 Ų | 163 | 108.2 Ų | 108.2 | 62% | 0.615 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -5.8 | 171.2 | -78.2 | -177.8 | -76.5 | 174.7 | -0.9 | 112.9 | R411 F412 E413 | R411-R415 PolarHBondContact O-NE 3.11Å; R411-R415 PolarHBondContact O-NH2 2.99Å; F412-R415 PolarHBondContact O-N 3.23Å; E413-R415 PolarHBondContact O-N 3.14Å; E413-R415 VanDerWaalsContact O-N 3.08Å |
| 416 | F | 70 | Confident | 64.4 | Low | 137 Ų | 137 | 108.2 Ų | 108.2 | 60% | 0.601 | 59% | 0.587 | S | S | * | * | | | trans | -114.1 | 50.3 | 170.8 | -65.6 | -68.3 | 0 | 0 | 0 | 110.8 | F412 E413 F418 | F412-F416 HydrophobicContact CD1-CE2 4.23Å; F412-F416 WeakPolarHBondContact O-CD2 3.28Å; F412-F416 PolarHBondContact O-N 3Å; E413-F416 CarbonylContact O-C 3.51Å; E413-F416 WeakPolarHBondContact O-CA 3.46Å; E413-F416 PolarHBondContact O-N 3.17Å; F416-F418 HydrophobicContact CB-CE2 4.26Å; F416-F418 WeakPolarHBondContact O-CD2 3.47Å; F416-F418 PolarHBondContact O-N 2.97Å |
| 417 | T | 55.6 | Low | 63.5 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 72% | 0.718 | 60% | 0.602 | S | S | * | * | | | trans | -64 | 88 | 157.2 | 47.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 418 | F | 55.5 | Low | 62.8 | Low | 167 Ų | 167 | 120.3 Ų | 120.3 | 73% | 0.732 | 64% | 0.64 | S | S | * | * | | | trans | -54.9 | 130.3 | 158 | -68.9 | -86.9 | 0 | 0 | 0 | 107.4 | F416 D420 | F416-F418 HydrophobicContact CB-CE2 4.26Å; F416-F418 WeakPolarHBondContact O-CD2 3.47Å; F416-F418 PolarHBondContact O-N 2.97Å; F418-D420 PolarHBondContact O-N 2.85Å |
| 419 | P | 58.1 | Low | 61.9 | Low | 101 Ų | 101 | 120.6 Ų | 120.6 | 66% | 0.656 | 65% | 0.65 | S | S | * | * | | | trans | -53.5 | 135 | 163.1 | -21 | 32.7 | 0 | 0 | 0 | 107.8 | I421 | P419-I421 VanDerWaalsContact C-N 3.34Å; P419-I421 PolarHBondContact O-N 3.18Å |
| 420 | D | 52.7 | Low | 60.8 | Low | 164 Ų | 164 | 127 Ų | 127 | 88% | 0.877 | 67% | 0.668 | S | S | * | * | | | trans | -66.4 | 97.4 | 179.3 | -169 | 5.6 | 0 | 0 | 0 | 108.8 | F418 G422 | F418-D420 PolarHBondContact O-N 2.85Å; D420-G422 PolarHBondContact O-N 3.14Å |
| 421 | I | 50.6 | Low | 59.8 | Low | 116 Ų | 116 | 129.6 Ų | 129.6 | 60% | 0.595 | 68% | 0.68 | S | S | * | * | | | trans | -80.2 | 60.5 | -171.2 | 41.2 | 168.9 | 0 | 0 | 0 | 110.5 | P419 S423 V424 | P419-I421 VanDerWaalsContact C-N 3.34Å; P419-I421 PolarHBondContact O-N 3.18Å; I421-S423 PolarHBondContact O-N 3.05Å; I421-S423 VanDerWaalsContact O-N 3.13Å; I421-V424 HydrophobicContact CB-CG2 3.79Å; I421-V424 HydrophobicContact CG2-CG2 4.22Å; I421-V424 PolarHBondContact O-N 3.3Å |
| 422 | G | 39.3 | Very low | 58.7 | Low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.6 | 117.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D420 V424 | D420-G422 PolarHBondContact O-N 3.14Å; G422-V424 VanDerWaalsContact C-N 3.34Å; G422-V424 PolarHBondContact O-N 2.85Å |
| 423 | S | 52 | Low | 57.5 | Low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.3 | 33.7 | 172.7 | -56.4 | 0 | 0 | 0 | 0 | 116.1 | I421 P425 | I421-S423 PolarHBondContact O-N 3.05Å; I421-S423 VanDerWaalsContact O-N 3.13Å; S423-P425 WeakPolarHBondContact O-CD 3.24Å |
| 424 | V | 52 | Low | 56.5 | Low | 92 Ų | 92 | 128.6 Ų | 128.6 | 56% | 0.558 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 118.9 | 162.3 | 170.8 | 0 | 0 | 0 | 0 | 108.7 | I421 G422 V426 | I421-V424 HydrophobicContact CB-CG2 3.79Å; I421-V424 HydrophobicContact CG2-CG2 4.22Å; I421-V424 PolarHBondContact O-N 3.3Å; G422-V424 VanDerWaalsContact C-N 3.34Å; G422-V424 PolarHBondContact O-N 2.85Å; V424-V426 PolarHBondContact O-N 2.89Å; V424-V426 VanDerWaalsContact O-N 3.14Å |
| 425 | P | 53.4 | Low | 55.4 | Low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 118.1 | -177.6 | -20.9 | 33.8 | 0 | 0 | 0 | 110.3 | S423 P427 | S423-P425 WeakPolarHBondContact O-CD 3.24Å; P425-P427 WeakPolarHBondContact O-CD 3.47Å; P425-P427 VanDerWaalsContact O-N 3.17Å |
| 426 | V | 58.8 | Low | 54 | Low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.5 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | V424 K428 | V424-V426 PolarHBondContact O-N 2.89Å; V424-V426 VanDerWaalsContact O-N 3.14Å; V426-K428 PolarHBondContact O-N 2.85Å; V426-K428 VanDerWaalsContact O-N 3.14Å |
| 427 | P | 56.7 | Low | 52.9 | Low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 122.7 | 177.5 | -25.1 | 34.8 | 0 | 0 | 0 | 109.6 | P425 S429 | P425-P427 WeakPolarHBondContact O-CD 3.47Å; P425-P427 VanDerWaalsContact O-N 3.17Å; P427-S429 PolarHBondContact O-N 3.1Å |
| 428 | K | 57 | Low | 52.5 | Low | 204 Ų | 204 | 138.6 Ų | 138.6 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 126.5 | 175.2 | -72.9 | -178.2 | 177.9 | 177.6 | 0 | 108.3 | V426 Y430 | V426-K428 PolarHBondContact O-N 2.85Å; V426-K428 VanDerWaalsContact O-N 3.14Å; K428-Y430 PolarHBondContact O-N 2.99Å; K428-Y430 VanDerWaalsContact O-N 3.1Å |
| 429 | S | 58.8 | Low | 51.7 | Low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 119.3 | -177.5 | 31.1 | 0 | 0 | 0 | 0 | 110 | P427 Y431 | P427-S429 PolarHBondContact O-N 3.1Å; S429-Y431 PolarHBondContact O-N 2.88Å |
| 430 | Y | 55.3 | Low | 50.9 | Low | 199 Ų | 199 | 134 Ų | 134 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | -66.9 | 99.6 | -176.7 | 177.8 | -107.7 | 0 | 0 | 0 | 109.4 | K428 G432 | K428-Y430 PolarHBondContact O-N 2.99Å; K428-Y430 VanDerWaalsContact O-N 3.1Å; Y430-G432 PolarHBondContact O-N 3.23Å |
| 431 | Y | 55.1 | Low | 50.4 | Low | 206 Ų | 206 | 133.6 Ų | 133.6 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | | | trans | -66.8 | 85.6 | 163.6 | -89.2 | -91 | 0 | 0 | 0 | 108.2 | S429 | S429-Y431 PolarHBondContact O-N 2.88Š|
| 432 | G | 54.4 | Low | 50 | Low | 30 Ų | 30 | 135.1 Ų | 135.1 | 31% | 0.309 | 74% | 0.741 | S | S | . | * | | | trans | -56.1 | 157.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y430 K434 | Y430-G432 PolarHBondContact O-N 3.23Å; G432-K434 PolarHBondContact O-N 3.33Å |
| 433 | P | 52.1 | Low | 49.9 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | trans | -54.3 | 129.6 | -178.8 | 23.6 | -33.9 | 0 | 0 | 0 | 109.9 | T435 | P433-T435 PolarHBondContact O-N 2.84Š|
| 434 | K | 54.7 | Low | 49.3 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | trans | -59.4 | 100.7 | 177.6 | -74.8 | -177.6 | 177.4 | 178.5 | 0 | 108.9 | G432 Y436 | G432-K434 PolarHBondContact O-N 3.33Å; K434-Y436 WeakPolarHBondContact O-CD2 3.44Å; K434-Y436 PolarHBondContact O-N 3.08Å |
| 435 | T | 48 | Very low | 48.8 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | -67.2 | 107.8 | 168.7 | 44.4 | 0 | 0 | 0 | 0 | 107.5 | P433 R437 | P433-T435 PolarHBondContact O-N 2.84Å; T435-R437 VanDerWaalsContact C-N 3.3Å; T435-R437 PolarHBondContact O-N 2.89Å |
| 436 | Y | 44.5 | Very low | 48.2 | Very low | 210 Ų | 210 | 140.2 Ų | 140.2 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | -62.7 | 96.5 | 169.3 | -70.6 | -96.1 | 0 | 0 | 0 | 107.4 | K434 V438 | K434-Y436 WeakPolarHBondContact O-CD2 3.44Å; K434-Y436 PolarHBondContact O-N 3.08Å; Y436-V438 VanDerWaalsContact C-N 3.28Å; Y436-V438 PolarHBondContact O-N 2.85Å |
| 437 | R | 46.2 | Very low | 47.1 | Very low | 236 Ų | 236 | 140.3 Ų | 140.3 | 89% | 0.891 | 75% | 0.752 | S | S | * | * | | | trans | -62.9 | 98.3 | 164 | -77.2 | -172.1 | 178.3 | -117.7 | 3.4 | 106.6 | T435 G439 | T435-R437 VanDerWaalsContact C-N 3.3Å; T435-R437 PolarHBondContact O-N 2.89Å; R437-G439 PolarHBondContact O-N 3.02Å |
| 438 | V | 47 | Very low | 46.4 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | -54.9 | 112.5 | 160.6 | 179.2 | 0 | 0 | 0 | 0 | 105.4 | Y436 S440 | Y436-V438 VanDerWaalsContact C-N 3.28Å; Y436-V438 PolarHBondContact O-N 2.85Å; V438-S440 PolarHBondContact O-N 3.06Å; V438-S440 VanDerWaalsContact O-N 3.08Å |
| 439 | G | 39.7 | Very low | 45.5 | Very low | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | | | trans | -66.5 | 111 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | R437 I441 | R437-G439 PolarHBondContact O-N 3.02Å; G439-I441 PolarHBondContact O-N 2.89Å |
| 440 | S | 40.9 | Very low | 44.8 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | trans | -52.8 | 127 | 167 | -56 | 0 | 0 | 0 | 0 | 108.5 | V438 N442 | V438-S440 PolarHBondContact O-N 3.06Å; V438-S440 VanDerWaalsContact O-N 3.08Å; S440-N442 PolarHBondContact O-N 3.24Å |
| 441 | I | 42.3 | Very low | 44.3 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 80% | 0.795 | 75% | 0.75 | S | S | * | * | | | trans | -69.1 | 97.6 | -174.9 | -56.7 | 168.2 | 0 | 0 | 0 | 107.9 | G439 S443 | G439-I441 PolarHBondContact O-N 2.89Å; I441-S443 PolarHBondContact O-N 3.03Å |
| 442 | N | 42.1 | Very low | 43.4 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | -71 | 99.7 | 174 | -97.4 | 0.5 | 0 | 0 | 0 | 108.7 | S440 S444 | S440-N442 PolarHBondContact O-N 3.24Å; N442-S444 PolarHBondContact O-N 3.17Å |
| 443 | S | 36.5 | Very low | 43.1 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -68.8 | 53.3 | 169 | -56.2 | 0 | 0 | 0 | 0 | 112 | I441 V445 | I441-S443 PolarHBondContact O-N 3.03Å; S443-V445 PolarHBondContact O-N 2.78Å |
| 444 | S | 39.7 | Very low | 42.5 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | | | trans | -81 | 91.2 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | N442 N446 | N442-S444 PolarHBondContact O-N 3.17Å; S444-N446 PolarHBondContact O-N 3.1Å; S444-N446 VanDerWaalsContact O-N 3.1Å |
| 445 | V | 41.4 | Very low | 41.7 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | trans | -49.2 | 117.3 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | S443 | S443-V445 PolarHBondContact O-N 2.78Š|
| 446 | N | 42 | Very low | 41.4 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -144.3 | 125.1 | 166 | -137.1 | -12.4 | 0 | 0 | 0 | 111 | S444 | S444-N446 PolarHBondContact O-N 3.1Å; S444-N446 VanDerWaalsContact O-N 3.1Å |
| 447 | N | 35.6 | Very low | 41.4 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -81.1 | 124.5 | -164.9 | -168.4 | 5.8 | 0 | 0 | 0 | 110.3 | | |
| 448 | S | 41.6 | Very low | 41.2 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | -157.9 | 84.4 | 176.2 | -76.5 | 0 | 0 | 0 | 0 | 110.9 | N450 | S448-N450 PolarHBondContact O-N 3.35Š|
| 449 | N | 38.8 | Very low | 41 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -65.8 | 119.1 | 167.8 | -64.1 | -40.9 | 0 | 0 | 0 | 109.8 | | |
| 450 | N | 42.8 | Very low | 41.5 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | -169.6 | 144.9 | 138.1 | -104 | -35.3 | 0 | 0 | 0 | 114.2 | S448 | S448-N450 PolarHBondContact O-N 3.35Š|
| 451 | L | 44.6 | Very low | 41.6 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | 42.5 | 121.3 | 164.7 | -76.1 | 83.6 | 0 | 0 | 0 | 120.1 | | |
| 452 | N | 37.2 | Very low | 42 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | | | | 19.7 | 109.3 | 128.7 | -74.7 | -14.9 | 0 | 0 | 0 | 117.6 | | |
| 453 | D | 47.1 | Very low | 42.5 | Very low | 177 Ų | 177 | 150 Ų | 150 | 95% | 0.947 | 78% | 0.777 | S | S | * | * | | | | -140 | 129.8 | 122.7 | -116.7 | -33.7 | 0 | 0 | 0 | 109.5 | | |
| 454 | N | 40.8 | Very low | 43.5 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | | | trans | -119.3 | 111.3 | -154.9 | -148 | -8.9 | 0 | 0 | 0 | 111.1 | | |
| 455 | Y | 37.6 | Very low | 44.3 | Very low | 210 Ų | 210 | 150 Ų | 150 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | 62.8 | 135.9 | -177.3 | -54.9 | -91 | 0 | 0 | 0 | 116.4 | | |
| 456 | R | 41.8 | Very low | 45 | Very low | 224 Ų | 224 | 148.1 Ų | 148.1 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | | 165.2 | 97.4 | 104.8 | -165.6 | 170.1 | -163.4 | -173.8 | 5 | 113.5 | | |
| 457 | N | 43 | Very low | 46.1 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | | | trans | 74.4 | 120.1 | 138.1 | -63.5 | 8 | 0 | 0 | 0 | 122.6 | | |
| 458 | Q | 42.2 | Very low | 47.3 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | 87 | 109.7 | 131.9 | -67.7 | 175.4 | 122.3 | 0 | 0 | 120.5 | | |
| 459 | V | 42.5 | Very low | 48.4 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | -81.5 | 127.3 | 163.7 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | Y461 | V459-Y461 HydrophobicContact CG1-CD2 3.84Å; V459-Y461 HydrophobicContact CG1-CE2 4.07Å; V459-Y461 PolarHBondContact O-N 2.97Å |
| 460 | P | 50.9 | Low | 49.5 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -89.5 | 85.3 | 170.7 | 34 | -31.9 | 0 | 0 | 0 | 111.3 | R462 | P460-R462 PolarHBondContact O-N 3.32Š|
| 461 | Y | 42.8 | Very low | 50.4 | Low | 212 Ų | 212 | 159.1 Ų | 159.1 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -64.1 | 100.9 | 164 | -91.5 | -84.1 | 0 | 0 | 0 | 109.4 | V459 V463 | V459-Y461 HydrophobicContact CG1-CD2 3.84Å; V459-Y461 HydrophobicContact CG1-CE2 4.07Å; V459-Y461 PolarHBondContact O-N 2.97Å; Y461-V463 VanDerWaalsContact C-N 3.33Å; Y461-V463 PolarHBondContact O-N 3Å |
| 462 | R | 50.6 | Low | 50.7 | Low | 240 Ų | 240 | 160 Ų | 160 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | | | trans | -75.8 | 85.5 | 172.4 | -76.9 | -166.3 | 177.3 | -88.3 | 2.6 | 110.7 | P460 | P460-R462 PolarHBondContact O-N 3.32Š|
| 463 | V | 54 | Low | 51.4 | Low | 132 Ų | 132 | 161 Ų | 161 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 132.4 | 160.6 | -179 | 0 | 0 | 0 | 0 | 108.4 | Y461 | Y461-V463 VanDerWaalsContact C-N 3.33Å; Y461-V463 PolarHBondContact O-N 3Å |
| 464 | A | 55.6 | Low | 51.6 | Low | 82 Ų | 82 | 160.1 Ų | 160.1 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 144.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 465 | P | 58 | Low | 52.2 | Low | 126 Ų | 126 | 162.6 Ų | 162.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 139.9 | 175.7 | -20.3 | 32.5 | 0 | 0 | 0 | 111.7 | | |
| 466 | A | 55.6 | Low | 53.2 | Low | 99 Ų | 99 | 159.6 Ų | 159.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 137.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 467 | A | 64.6 | Low | 53.9 | Low | 90 Ų | 90 | 155.3 Ų | 155.3 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 142.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R469 | A467-R469 PolarHBondContact O-N 3.42Š|
| 468 | P | 62.1 | Low | 54.7 | Low | 122 Ų | 122 | 158 Ų | 158 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 130 | 178.3 | 28 | -33.9 | 0 | 0 | 0 | 110.7 | | |
| 469 | R | 63.8 | Low | 55.7 | Low | 239 Ų | 239 | 156.5 Ų | 156.5 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 129.6 | 156.6 | -81.9 | -177.4 | 166.9 | 177 | -5 | 107.9 | A467 | A467-R469 PolarHBondContact O-N 3.42Š|
| 470 | N | 61.6 | Low | 56.8 | Low | 157 Ų | 157 | 159.8 Ų | 159.8 | 84% | 0.84 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -69 | 152.4 | 157.4 | -74.3 | -47.3 | 0 | 0 | 0 | 109.2 | | |
| 471 | Y | 61.6 | Low | 57.3 | Low | 305 Ų | 305 | 164 Ų | 164 | 100% | 1.196 | 85% | 0.848 | S | S | * | * | | | trans | -76.5 | 0 | 164.8 | -75.8 | -95 | 0 | 0 | 0 | 110.6 | | |