| 1 | M | 37.9 | Very low | 35.3 | Very low | 221 Ų | 221 | 170 Ų | 170 | 100% | 1.089 | 81% | 0.808 | S | S | * | * | | | | 0 | 101.3 | 0 | -81.5 | 173 | 171.2 | 0 | 0 | 108.2 | | |
| 2 | V | 33.1 | Very low | 35.4 | Very low | 145 Ų | 145 | 169.3 Ų | 169.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -126.9 | 108.5 | 170.9 | 179.9 | 0 | 0 | 0 | 0 | 105.5 | K4 | V2-K4 PolarHBondContact O-N 3.17Å; V2-K4 VanDerWaalsContact O-N 3.08Å |
| 3 | Y | 34.2 | Very low | 35.8 | Very low | 195 Ų | 195 | 170.5 Ų | 170.5 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | -66.3 | 107 | 179.7 | -74.5 | -90.9 | 0 | 0 | 0 | 108.4 | W5 | Y3-W5 VanDerWaalsContact C-N 3.34Å; Y3-W5 PolarHBondContact O-N 2.96Å |
| 4 | K | 29.3 | Very low | 36 | Very low | 179 Ų | 179 | 168.3 Ų | 168.3 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | trans | -71.4 | 95.2 | 169.9 | -149.1 | 176.4 | -172.1 | 179.5 | 0 | 106.7 | V2 H6 | V2-K4 PolarHBondContact O-N 3.17Å; V2-K4 VanDerWaalsContact O-N 3.08Å; K4-H6 VanDerWaalsContact C-N 3.32Å; K4-H6 PolarHBondContact O-N 2.97Å |
| 5 | W | 31 | Very low | 36.5 | Very low | 227 Ų | 227 | 165.9 Ų | 165.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -64.3 | 94.5 | 171.7 | -102.8 | 57.3 | 0 | 0 | 0 | 108.2 | Y3 H7 | Y3-W5 VanDerWaalsContact C-N 3.34Å; Y3-W5 PolarHBondContact O-N 2.96Å; W5-H7 PolarHBondContact O-N 3.16Å; W5-H7 VanDerWaalsContact O-N 3.1Å |
| 6 | H | 34.6 | Very low | 37 | Very low | 143 Ų | 143 | 162.5 Ų | 162.5 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | trans | -68.4 | 106.5 | 164.7 | -84.1 | -90.9 | 0 | 0 | 0 | 107.2 | K4 L8 | K4-H6 VanDerWaalsContact C-N 3.32Å; K4-H6 PolarHBondContact O-N 2.97Å; H6-L8 PolarHBondContact O-N 2.95Å |
| 7 | H | 34.6 | Very low | 38.1 | Very low | 177 Ų | 177 | 158.5 Ų | 158.5 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | | | trans | -59.3 | 82 | 162.3 | -124.2 | -85.1 | 0 | 0 | 0 | 107.5 | W5 S9 | W5-H7 PolarHBondContact O-N 3.16Å; W5-H7 VanDerWaalsContact O-N 3.1Å; H7-S9 VanDerWaalsContact C-N 3.28Å; H7-S9 PolarHBondContact O-N 3.28Å |
| 8 | L | 36.3 | Very low | 39.3 | Very low | 153 Ų | 153 | 161.9 Ų | 161.9 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | | | trans | -65.1 | 98 | 165 | -96.1 | 127.2 | 0 | 0 | 0 | 106 | H6 K10 | H6-L8 PolarHBondContact O-N 2.95Å; L8-K10 PolarHBondContact O-N 3.45Å; L8-K10 VanDerWaalsContact O-N 3.09Å |
| 9 | S | 37.1 | Very low | 41 | Very low | 82 Ų | 82 | 156.7 Ų | 156.7 | 57% | 0.573 | 75% | 0.751 | S | S | * | * | | | trans | -48.4 | 116.9 | 169.6 | 54.3 | 0 | 0 | 0 | 0 | 108.6 | H7 N11 | H7-S9 VanDerWaalsContact C-N 3.28Å; H7-S9 PolarHBondContact O-N 3.28Å; S9-N11 PolarHBondContact O-N 3.25Å |
| 10 | K | 41.7 | Very low | 42.5 | Very low | 201 Ų | 201 | 155.2 Ų | 155.2 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 23.7 | 178.3 | -71.6 | 179.4 | 173.6 | 179.1 | 0 | 114.3 | L8 | L8-K10 PolarHBondContact O-N 3.45Å; L8-K10 VanDerWaalsContact O-N 3.09Å |
| 11 | N | 38.4 | Very low | 44 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 12.5 | -177 | -66.9 | -10.8 | 0 | 0 | 0 | 113.5 | S9 F13 | S9-N11 PolarHBondContact O-N 3.25Å; N11-F13 PolarHBondContact O-N 3.11Å |
| 12 | H | 36.5 | Very low | 45.7 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 75% | 0.75 | 70% | 0.703 | S | S | * | * | | | trans | -86.1 | 47.8 | 160.5 | -100.4 | -80.8 | 0 | 0 | 0 | 110.7 | E14 | H12-E14 PolarHBondContact O-N 2.95Š|
| 13 | F | 40.8 | Very low | 47.9 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | | | trans | -83.9 | 82 | 154.4 | -140.2 | -92.4 | 0 | 0 | 0 | 104.9 | N11 V15 | N11-F13 PolarHBondContact O-N 3.11Å; F13-V15 PolarHBondContact O-N 3.16Å |
| 14 | E | 38.3 | Very low | 50.1 | Low | 139 Ų | 139 | 142.6 Ų | 142.6 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | | | trans | -49.8 | 113.8 | 168.2 | -75.6 | -173.6 | 163.4 | 0 | 0 | 106.7 | H12 L16 | H12-E14 PolarHBondContact O-N 2.95Å; E14-L16 PolarHBondContact O-N 3.42Å |
| 15 | V | 43.3 | Very low | 52.5 | Low | 132 Ų | 132 | 141.7 Ų | 141.7 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | | | trans | -62.2 | 86.2 | 167.2 | 178.7 | 0 | 0 | 0 | 0 | 104.8 | F13 D17 | F13-V15 PolarHBondContact O-N 3.16Å; V15-D17 VanDerWaalsContact C-N 3.26Å; V15-D17 PolarHBondContact O-N 3.2Å |
| 16 | L | 45.1 | Very low | 54.9 | Low | 112 Ų | 112 | 136.1 Ų | 136.1 | 59% | 0.586 | 67% | 0.665 | S | S | * | * | | | trans | -59.9 | 101.1 | 167 | -83.9 | 165.1 | 0 | 0 | 0 | 104.9 | E14 R18 | E14-L16 PolarHBondContact O-N 3.42Å; L16-R18 PolarHBondContact O-N 3.02Å |
| 17 | D | 55.6 | Low | 57 | Low | 94 Ų | 94 | 131.4 Ų | 131.4 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | | | trans | -37 | 119.5 | 170.4 | -105.7 | -33.2 | 0 | 0 | 0 | 108.1 | V15 S19 K20 A21 | V15-D17 VanDerWaalsContact C-N 3.26Å; V15-D17 PolarHBondContact O-N 3.2Å; D17-S19 PolarHBondContact O-N 3.49Å; D17-K20 HydrophobicContact CB-CB 4.47Å; D17-K20 HydrophobicContact CB-CD 4.44Å; D17-K20 HydrophobicContact CB-CG 4.24Å; D17-K20 WeakPolarHBondContact O-CA 3.38Å; D17-K20 PolarHBondContact O-N 3.34Å; D17-A21 PolarHBondContact O-N 2.95Å |
| 18 | R | 59.6 | Low | 59.2 | Low | 221 Ų | 221 | 126 Ų | 126 | 83% | 0.834 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -51 | -27.2 | -179.8 | -77.8 | -178 | 175.4 | 176.7 | -1 | 111.5 | L16 M22 | L16-R18 PolarHBondContact O-N 3.02Å; R18-M22 WeakPolarHBondContact O-CB 3.41Å; R18-M22 WeakPolarHBondContact O-CG 3.2Å; R18-M22 PolarHBondContact O-N 3.1Å |
| 19 | S | 71.5 | Confident | 61.3 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 44% | 0.441 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.8 | -40.1 | 174.1 | 74.7 | 0 | 0 | 0 | 0 | 113.5 | D17 K23 | D17-S19 PolarHBondContact O-N 3.49Å; S19-K23 WeakPolarHBondContact O-CB 3.38Å; S19-K23 VanDerWaalsContact O-CG 3.22Å; S19-K23 WeakPolarHBondContact O-CG 3.5Å; S19-K23 PolarHBondContact O-N 3.18Å |
| 20 | K | 72 | Confident | 63.2 | Low | 125 Ų | 125 | 124 Ų | 124 | 54% | 0.543 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.8 | -40.8 | 176.2 | -70.2 | -178.1 | -176.5 | 171.6 | 0 | 111.3 | D17 K23 L24 | D17-K20 HydrophobicContact CB-CB 4.47Å; D17-K20 HydrophobicContact CB-CD 4.44Å; D17-K20 HydrophobicContact CB-CG 4.24Å; D17-K20 WeakPolarHBondContact O-CA 3.38Å; D17-K20 PolarHBondContact O-N 3.34Å; K20-K23 PolarHBondContact O-N 3.18Å; K20-L24 WeakPolarHBondContact O-CB 3.5Å; K20-L24 WeakPolarHBondContact O-CG 3.43Å; K20-L24 PolarHBondContact O-N 2.9Å |
| 21 | A | 73.9 | Confident | 64.6 | Low | 48 Ų | 48 | 121.2 Ų | 121.2 | 40% | 0.397 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.5 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | D17 L24 Y25 | D17-A21 PolarHBondContact O-N 2.95Å; A21-L24 PolarHBondContact O-N 3.05Å; A21-Y25 WeakPolarHBondContact O-CB 3.43Å; A21-Y25 PolarHBondContact O-N 3.01Å |
| 22 | M | 73.6 | Confident | 66 | Low | 133 Ų | 133 | 116.5 Ų | 116.5 | 66% | 0.655 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.5 | -39.1 | 175.4 | -72.3 | -72.2 | -78.7 | 0 | 0 | 112.2 | R18 Y25 L26 | R18-M22 WeakPolarHBondContact O-CB 3.41Å; R18-M22 WeakPolarHBondContact O-CG 3.2Å; R18-M22 PolarHBondContact O-N 3.1Å; M22-Y25 PolarHBondContact O-N 3.1Å; M22-L26 WeakPolarHBondContact O-CB 3.22Å; M22-L26 PolarHBondContact O-N 2.93Å |
| 23 | K | 78.2 | Confident | 67.5 | Low | 153 Ų | 153 | 113.9 Ų | 113.9 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.8 | -42.4 | 174.4 | -76.6 | 174.1 | -177.2 | -177.3 | 0 | 112 | S19 K20 L26 A27 | S19-K23 WeakPolarHBondContact O-CB 3.38Å; S19-K23 VanDerWaalsContact O-CG 3.22Å; S19-K23 WeakPolarHBondContact O-CG 3.5Å; S19-K23 PolarHBondContact O-N 3.18Å; K20-K23 PolarHBondContact O-N 3.18Å; K23-L26 PolarHBondContact O-N 2.8Å; K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.41Å; K23-A27 PolarHBondContact O-N 3.24Å |
| 24 | L | 81.3 | Confident | 68.4 | Low | 118 Ų | 118 | 108.5 Ų | 108.5 | 62% | 0.618 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.2 | -42.3 | 175.7 | -77.6 | 166.9 | 0 | 0 | 0 | 111.8 | K20 A21 A27 A28 | K20-L24 WeakPolarHBondContact O-CB 3.5Å; K20-L24 WeakPolarHBondContact O-CG 3.43Å; K20-L24 PolarHBondContact O-N 2.9Å; A21-L24 PolarHBondContact O-N 3.05Å; L24-A27 PolarHBondContact O-N 3.17Å; L24-A28 WeakPolarHBondContact O-CB 3.33Å; L24-A28 PolarHBondContact O-N 3.01Å |
| 25 | Y | 79.4 | Confident | 69.2 | Low | 160 Ų | 160 | 110.6 Ų | 110.6 | 63% | 0.627 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.9 | -43.5 | 176 | -172.7 | -96.8 | 0 | 0 | 0 | 111.9 | A21 M22 A28 L29 | A21-Y25 WeakPolarHBondContact O-CB 3.43Å; A21-Y25 PolarHBondContact O-N 3.01Å; M22-Y25 PolarHBondContact O-N 3.1Å; Y25-A28 PolarHBondContact O-N 3.12Å; Y25-L29 HydrophobicContact CE1-CD1 3.9Å; Y25-L29 WeakPolarHBondContact O-CB 3.49Å; Y25-L29 PolarHBondContact O-N 2.96Å |
| 26 | L | 80.4 | Confident | 69.7 | Low | 110 Ų | 110 | 108.4 Ų | 108.4 | 58% | 0.576 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.7 | -39.5 | 178.2 | -151.2 | 111.3 | 0 | 0 | 0 | 111.5 | M22 K23 L29 L30 | M22-L26 WeakPolarHBondContact O-CB 3.22Å; M22-L26 PolarHBondContact O-N 2.93Å; K23-L26 PolarHBondContact O-N 2.8Å; L26-L29 PolarHBondContact O-N 3.1Å; L26-L30 HydrophobicContact CD2-CD1 4.12Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CG 3.31Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 2.95Å |
| 27 | A | 79.5 | Confident | 69.3 | Low | 44 Ų | 44 | 105 Ų | 105 | 36% | 0.364 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | K23 L24 L29 L30 F31 | K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.41Å; K23-A27 PolarHBondContact O-N 3.24Å; L24-A27 PolarHBondContact O-N 3.17Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 2.97Å; A27-L30 PolarHBondContact O-N 3.09Å; A27-F31 WeakPolarHBondContact O-CB 3.3Å; A27-F31 PolarHBondContact O-N 2.96Å |
| 28 | A | 81.1 | Confident | 68.6 | Low | 64 Ų | 64 | 108 Ų | 108 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.3 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L24 Y25 F31 G32 | L24-A28 WeakPolarHBondContact O-CB 3.33Å; L24-A28 PolarHBondContact O-N 3.01Å; Y25-A28 PolarHBondContact O-N 3.12Å; A28-F31 PolarHBondContact O-N 3.08Å; A28-G32 PolarHBondContact O-N 2.72Å |
| 29 | L | 80.9 | Confident | 67.5 | Low | 86 Ų | 86 | 105.5 Ų | 105.5 | 45% | 0.45 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.3 | -41 | 177 | -158 | 154.3 | 0 | 0 | 0 | 111.1 | Y25 L26 A27 G32 I33 | Y25-L29 HydrophobicContact CE1-CD1 3.9Å; Y25-L29 WeakPolarHBondContact O-CB 3.49Å; Y25-L29 PolarHBondContact O-N 2.96Å; L26-L29 PolarHBondContact O-N 3.1Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 2.97Å; L29-G32 PolarHBondContact O-N 2.77Å; L29-I33 HydrophobicContact CD2-CD1 3.51Å; L29-I33 HydrophobicContact CD2-CG1 4.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.35Å; L29-I33 PolarHBondContact O-N 2.91Å |
| 30 | L | 75.4 | Confident | 65.9 | Low | 107 Ų | 107 | 109.8 Ų | 109.8 | 56% | 0.56 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.1 | -40.5 | 174.3 | -70.6 | 173 | 0 | 0 | 0 | 112.3 | L26 A27 I33 A34 | L26-L30 HydrophobicContact CD2-CD1 4.12Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CG 3.31Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 2.95Å; A27-L30 PolarHBondContact O-N 3.09Å; L30-I33 PolarHBondContact O-N 3.07Å; L30-A34 WeakPolarHBondContact O-CB 3.39Å; L30-A34 PolarHBondContact O-N 3.09Å |
| 31 | F | 71.4 | Confident | 64.2 | Low | 143 Ų | 143 | 112.7 Ų | 112.7 | 63% | 0.627 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64 | -39.2 | 173.1 | -101.4 | -84.7 | 0 | 0 | 0 | 112.2 | A27 A28 I33 A34 F35 | A27-F31 WeakPolarHBondContact O-CB 3.3Å; A27-F31 PolarHBondContact O-N 2.96Å; A28-F31 PolarHBondContact O-N 3.08Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 3.09Å; F31-A34 PolarHBondContact O-N 3.2Å; F31-F35 HydrophobicContact CD1-CE2 4.46Å; F31-F35 PolarHBondContact O-N 2.93Å |
| 32 | G | 68.1 | Low | 62.4 | Low | 48 Ų | 48 | 122.3 Ų | 122.3 | 50% | 0.495 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.5 | -33.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A28 L29 | A28-G32 PolarHBondContact O-N 2.72Å; L29-G32 PolarHBondContact O-N 2.77Å |
| 33 | I | 68 | Low | 60.6 | Low | 106 Ų | 106 | 124.2 Ų | 124.2 | 54% | 0.544 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -77.3 | -38.2 | 174.2 | -66.4 | 172.5 | 0 | 0 | 0 | 111.1 | L29 L30 F31 F35 A36 G37 | L29-I33 HydrophobicContact CD2-CD1 3.51Å; L29-I33 HydrophobicContact CD2-CG1 4.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.35Å; L29-I33 PolarHBondContact O-N 2.91Å; L30-I33 PolarHBondContact O-N 3.07Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 3.09Å; I33-F35 VanDerWaalsContact C-N 3.31Å; I33-F35 PolarHBondContact O-N 2.84Å; I33-A36 WeakPolarHBondContact O-CA 3.46Å; I33-A36 WeakPolarHBondContact O-CB 3.31Å; I33-A36 PolarHBondContact O-N 3.05Å; I33-G37 PolarHBondContact O-N 3.08Å |
| 34 | A | 59.4 | Low | 58.6 | Low | 73 Ų | 73 | 125.9 Ų | 125.9 | 60% | 0.603 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.5 | -34.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L30 F31 A36 | L30-A34 WeakPolarHBondContact O-CB 3.39Å; L30-A34 PolarHBondContact O-N 3.09Å; F31-A34 PolarHBondContact O-N 3.2Å; A34-A36 PolarHBondContact O-N 3.03Å |
| 35 | F | 55.2 | Low | 56.3 | Low | 183 Ų | 183 | 124 Ų | 124 | 80% | 0.803 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -5 | 170.9 | -95.6 | -82.5 | 0 | 0 | 0 | 114.4 | F31 I33 | F31-F35 HydrophobicContact CD1-CE2 4.46Å; F31-F35 PolarHBondContact O-N 2.93Å; I33-F35 VanDerWaalsContact C-N 3.31Å; I33-F35 PolarHBondContact O-N 2.84Å |
| 36 | A | 54 | Low | 54.2 | Low | 85 Ų | 85 | 121.2 Ų | 121.2 | 70% | 0.702 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 3.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I33 A34 | I33-A36 WeakPolarHBondContact O-CA 3.46Å; I33-A36 WeakPolarHBondContact O-CB 3.31Å; I33-A36 PolarHBondContact O-N 3.05Å; A34-A36 PolarHBondContact O-N 3.03Å |
| 37 | G | 37.4 | Very low | 51.9 | Low | 42 Ų | 42 | 118.3 Ų | 118.3 | 43% | 0.433 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -97.2 | 133.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I33 | I33-G37 PolarHBondContact O-N 3.08Š|
| 38 | D | 40.3 | Very low | 49.7 | Very low | 157 Ų | 157 | 123.2 Ų | 123.2 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 78 | 73.1 | 177.9 | -52.1 | -24 | 0 | 0 | 0 | 115.2 | | |
| 39 | D | 36.9 | Very low | 47.4 | Very low | 167 Ų | 167 | 123.1 Ų | 123.1 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | | | trans | -162.2 | 107.3 | 131.5 | -92.8 | -33.8 | 0 | 0 | 0 | 110.8 | | |
| 40 | D | 37 | Very low | 45.2 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | | | trans | -52.3 | 140.7 | 159.8 | -80.8 | -46.6 | 0 | 0 | 0 | 110.8 | | |
| 41 | K | 36.3 | Very low | 43.3 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 99.3 | 96.4 | 171.1 | -55.9 | 165 | -176.3 | 170.4 | 0 | 115.6 | L43 | K41-L43 PolarHBondContact O-N 3.09Å; K41-L43 VanDerWaalsContact O-N 3.16Å |
| 42 | R | 37 | Very low | 41.7 | Very low | 250 Ų | 250 | 133.1 Ų | 133.1 | 94% | 0.943 | 74% | 0.738 | S | S | * | * | | | trans | 49 | 53.9 | 135.7 | -63.2 | -175.4 | 173.8 | -172.6 | -0.2 | 116.1 | | |
| 43 | L | 35.9 | Very low | 40.1 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | | | trans | -101.2 | 95.1 | 158.7 | -94.7 | 145.9 | 0 | 0 | 0 | 110.3 | K41 G45 | K41-L43 PolarHBondContact O-N 3.09Å; K41-L43 VanDerWaalsContact O-N 3.16Å; L43-G45 VanDerWaalsContact C-N 3.31Å; L43-G45 PolarHBondContact O-N 2.92Å |
| 44 | K | 35.8 | Very low | 38.6 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | trans | -54.7 | 91.3 | 160.3 | -76 | 169.2 | 170.8 | 171.4 | 0 | 109.1 | V46 | K44-V46 PolarHBondContact O-N 3.13Š|
| 45 | G | 32.6 | Very low | 37.2 | Very low | 80 Ų | 80 | 144.8 Ų | 144.8 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -92.8 | 71 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L43 G47 | L43-G45 VanDerWaalsContact C-N 3.31Å; L43-G45 PolarHBondContact O-N 2.92Å; G45-G47 PolarHBondContact O-N 3.37Å |
| 46 | V | 36.7 | Very low | 36.5 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 61% | 0.612 | 77% | 0.769 | S | S | * | * | | | trans | -86.1 | 107.4 | 170.1 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | K44 Y50 | K44-V46 PolarHBondContact O-N 3.13Å; V46-Y50 WeakPolarHBondContact CG1-O 3.49Å |
| 47 | G | 31.9 | Very low | 36.1 | Very low | 49 Ų | 49 | 150.1 Ų | 150.1 | 51% | 0.505 | 78% | 0.782 | S | S | . | * | | | trans | -56.4 | 154.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G45 G49 | G45-G47 PolarHBondContact O-N 3.37Å; G47-G49 PolarHBondContact O-N 3.21Å |
| 48 | P | 31.8 | Very low | 36.6 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 111.2 | -172.1 | 25.3 | -32.8 | 0 | 0 | 0 | 109.5 | | |
| 49 | G | 34.1 | Very low | 36.5 | Very low | 62 Ų | 62 | 147.7 Ų | 147.7 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.5 | -6.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | G47 | G47-G49 PolarHBondContact O-N 3.21Š|
| 50 | Y | 33.7 | Very low | 36.5 | Very low | 183 Ų | 183 | 148 Ų | 148 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | | | trans | -134.8 | 103.7 | 179.4 | -69.6 | -82.9 | 0 | 0 | 0 | 113.3 | V46 K52 | V46-Y50 WeakPolarHBondContact CG1-O 3.49Å; Y50-K52 PolarHBondContact O-N 3.13Å |
| 51 | E | 36.6 | Very low | 36.4 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -66.1 | 118.6 | 159.8 | -86.1 | -176.5 | 133.3 | 0 | 0 | 109.8 | | |
| 52 | K | 37.3 | Very low | 36.6 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | 34 | 93.2 | 150.2 | -63.1 | 174.9 | -177.1 | 171.1 | 0 | 116.1 | Y50 Y54 | Y50-K52 PolarHBondContact O-N 3.13Å; K52-Y54 HydrophobicContact CB-CE2 4.44Å |
| 53 | S | 34.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -112.5 | 115.7 | 158.3 | 60.3 | 0 | 0 | 0 | 0 | 110 | | |
| 54 | Y | 36.4 | Very low | 36.8 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | trans | -88.8 | 144.3 | 168.2 | -68.5 | -90.8 | 0 | 0 | 0 | 109.6 | K52 | K52-Y54 HydrophobicContact CB-CE2 4.44Š|
| 55 | L | 29 | Very low | 36.9 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | | | trans | -88.3 | 111.7 | 177.8 | -106.6 | 150.7 | 0 | 0 | 0 | 109 | | |
| 56 | D | 41.7 | Very low | 37.1 | Very low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | | | trans | -81.1 | 139.6 | 171.2 | -78.8 | -17.9 | 0 | 0 | 0 | 111.2 | A58 G59 | D56-A58 PolarHBondContact O-N 3.41Å; D56-G59 PolarHBondContact O-N 3.05Å; D56-G59 VanDerWaalsContact O-N 3.15Å |
| 57 | Y | 45.3 | Very low | 37.2 | Very low | 251 Ų | 251 | 141.7 Ų | 141.7 | 98% | 0.984 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -9.6 | -174.8 | -101.8 | -92.3 | 0 | 0 | 0 | 116.1 | | |
| 58 | A | 47.2 | Very low | 37.5 | Very low | 79 Ų | 79 | 147.2 Ų | 147.2 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 8.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D56 K60 | D56-A58 PolarHBondContact O-N 3.41Å; A58-K60 PolarHBondContact O-N 3.03Å; A58-K60 VanDerWaalsContact O-N 3.11Å |
| 59 | G | 38.8 | Very low | 37.4 | Very low | 69 Ų | 69 | 147.5 Ų | 147.5 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | 65 | 18.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D56 | D56-G59 PolarHBondContact O-N 3.05Å; D56-G59 VanDerWaalsContact O-N 3.15Å |
| 60 | K | 37.7 | Very low | 37.5 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | trans | -99.2 | 104.2 | 178.9 | -71.1 | -177.1 | -178 | 176.9 | 0 | 110.6 | A58 K62 | A58-K60 PolarHBondContact O-N 3.03Å; A58-K60 VanDerWaalsContact O-N 3.11Å; K60-K62 PolarHBondContact O-N 3.13Å; K60-K62 VanDerWaalsContact O-N 3.08Å |
| 61 | F | 33 | Very low | 37.7 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | -63.2 | 103.7 | 176.7 | -165 | -94.1 | 0 | 0 | 0 | 110.9 | | |
| 62 | K | 41.4 | Very low | 37.4 | Very low | 210 Ų | 210 | 147.5 Ų | 147.5 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | | | trans | -107.2 | 59.4 | 167.4 | -75.7 | -174.7 | 175.9 | 179.1 | 0 | 109.8 | K60 | K60-K62 PolarHBondContact O-N 3.13Å; K60-K62 VanDerWaalsContact O-N 3.08Å |
| 63 | G | 39.4 | Very low | 36.9 | Very low | 38 Ų | 38 | 147.9 Ų | 147.9 | 39% | 0.392 | 76% | 0.761 | S | S | . | * | | | trans | -104.5 | 125.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 64 | G | 38.5 | Very low | 36.8 | Very low | 74 Ų | 74 | 151 Ų | 151 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | | | trans | -52.7 | 154 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | R66 | G64-R66 PolarHBondContact O-N 2.99Š|
| 65 | A | 37.6 | Very low | 36.5 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | -44.1 | 116.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K67 | A65-K67 PolarHBondContact O-N 2.9Š|
| 66 | R | 36 | Very low | 36.5 | Very low | 195 Ų | 195 | 147.8 Ų | 147.8 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | -55.6 | 107.6 | 167.2 | -79.6 | 179.4 | 169.3 | -177.2 | -4.3 | 109.4 | G64 F68 | G64-R66 PolarHBondContact O-N 2.99Å; R66-F68 HydrophobicContact CB-CD2 4.23Å; R66-F68 HydrophobicContact CB-CE2 4.12Å; R66-F68 PolarHBondContact O-N 2.77Å |
| 67 | K | 39.7 | Very low | 35.9 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | -76.4 | 98.5 | 157.8 | -67.8 | -177.9 | -178.1 | 178.5 | 0 | 106.4 | A65 L69 | A65-K67 PolarHBondContact O-N 2.9Å; K67-L69 PolarHBondContact O-N 3.22Å; K67-L69 VanDerWaalsContact O-N 3.1Å |
| 68 | F | 37.1 | Very low | 35.3 | Very low | 166 Ų | 166 | 143 Ų | 143 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | trans | -67.3 | 105.7 | 162.8 | -79.6 | -88.7 | 0 | 0 | 0 | 106.6 | R66 | R66-F68 HydrophobicContact CB-CD2 4.23Å; R66-F68 HydrophobicContact CB-CE2 4.12Å; R66-F68 PolarHBondContact O-N 2.77Å |
| 69 | L | 31.4 | Very low | 34.3 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -65.9 | 125.7 | 159.4 | -75.4 | 167.3 | 0 | 0 | 0 | 106.5 | K67 I71 | K67-L69 PolarHBondContact O-N 3.22Å; K67-L69 VanDerWaalsContact O-N 3.1Å; L69-I71 PolarHBondContact O-N 3.14Å; L69-I71 VanDerWaalsContact O-N 3.13Å |
| 70 | P | 35.8 | Very low | 34 | Very low | 82 Ų | 82 | 154.6 Ų | 154.6 | 53% | 0.532 | 77% | 0.768 | S | S | . | * | | | trans | -59.5 | 117.8 | 176.5 | 23.3 | -32.2 | 0 | 0 | 0 | 109.3 | Y72 | P70-Y72 VanDerWaalsContact C-N 3.29Å; P70-Y72 HydrophobicContact CB-CD2 4.01Å; P70-Y72 HydrophobicContact CB-CE2 3.58Å; P70-Y72 HydrophobicContact CG-CD2 4.06Å; P70-Y72 HydrophobicContact CG-CE2 3.39Å; P70-Y72 PolarHBondContact O-N 3.07Å |
| 71 | I | 36.4 | Very low | 33.5 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -75.2 | 91.5 | 167.8 | -57.1 | 173.1 | 0 | 0 | 0 | 105.7 | L69 Q73 | L69-I71 PolarHBondContact O-N 3.14Å; L69-I71 VanDerWaalsContact O-N 3.13Å; I71-Q73 PolarHBondContact O-N 3.07Å |
| 72 | Y | 30.6 | Very low | 33.6 | Very low | 190 Ų | 190 | 152.2 Ų | 152.2 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | -75 | 108.5 | 163.7 | -65.3 | -78.4 | 0 | 0 | 0 | 107.1 | P70 K74 | P70-Y72 VanDerWaalsContact C-N 3.29Å; P70-Y72 HydrophobicContact CB-CD2 4.01Å; P70-Y72 HydrophobicContact CB-CE2 3.58Å; P70-Y72 HydrophobicContact CG-CD2 4.06Å; P70-Y72 HydrophobicContact CG-CE2 3.39Å; P70-Y72 PolarHBondContact O-N 3.07Å; Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.05Å |
| 73 | Q | 28 | Very low | 33 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | | | trans | -68.2 | 97.7 | 158.9 | -85.9 | -178.6 | -29.7 | 0 | 0 | 106.7 | I71 | I71-Q73 PolarHBondContact O-N 3.07Š|
| 74 | K | 31.1 | Very low | 32.9 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | trans | -95.3 | 91.4 | 172.9 | -159.8 | -174.1 | -176.6 | -176.1 | 0 | 106.6 | Y72 V76 | Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.05Å; K74-V76 VanDerWaalsContact C-N 3.32Å; K74-V76 HydrophobicContact CB-CG2 4.38Å; K74-V76 HydrophobicContact CD-CG2 3.69Å; K74-V76 HydrophobicContact CG-CG2 3.66Å; K74-V76 PolarHBondContact O-N 2.9Å; K74-V76 VanDerWaalsContact O-N 3.11Å |
| 75 | E | 31.1 | Very low | 32.4 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -73.4 | 95.6 | 161.1 | -72.1 | -173.8 | 170.2 | 0 | 0 | 106.7 | S77 | E75-S77 PolarHBondContact O-N 3.3Š|
| 76 | V | 28.2 | Very low | 31.7 | Very low | 112 Ų | 112 | 156 Ų | 156 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | | | trans | -80.2 | 94.9 | 172.1 | -177.5 | 0 | 0 | 0 | 0 | 106.5 | K74 | K74-V76 VanDerWaalsContact C-N 3.32Å; K74-V76 HydrophobicContact CB-CG2 4.38Å; K74-V76 HydrophobicContact CD-CG2 3.69Å; K74-V76 HydrophobicContact CG-CG2 3.66Å; K74-V76 PolarHBondContact O-N 2.9Å; K74-V76 VanDerWaalsContact O-N 3.11Å |
| 77 | S | 30.7 | Very low | 31.1 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -97.5 | 117.7 | 160.4 | 41.3 | 0 | 0 | 0 | 0 | 108.6 | E75 | E75-S77 PolarHBondContact O-N 3.3Š|
| 78 | E | 31.2 | Very low | 30.2 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | 67.2 | 94.4 | 150.3 | -57.2 | -176.6 | 177.7 | 0 | 0 | 118.3 | K80 | E78-K80 PolarHBondContact O-N 3.32Š|
| 79 | E | 27.4 | Very low | 29.8 | Very low | 199 Ų | 199 | 143.7 Ų | 143.7 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | trans | -7.5 | 103.2 | 146 | -59.8 | 174.3 | 175.6 | 0 | 0 | 115.3 | | |
| 80 | K | 32.5 | Very low | 29.5 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -115.5 | 110.6 | 154.3 | -75.7 | -177.6 | 179.5 | 176.2 | 0 | 108 | E78 V82 | E78-K80 PolarHBondContact O-N 3.32Å; K80-V82 PolarHBondContact O-N 3.24Å |
| 81 | E | 26.1 | Very low | 29.2 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -55.7 | 105 | 166.2 | -81.5 | -174.7 | 135.4 | 0 | 0 | 109.2 | V83 | E81-V83 PolarHBondContact O-N 3.17Š|
| 82 | V | 35.7 | Very low | 28.6 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | | | trans | -85.9 | 92.6 | 164.8 | -175.4 | 0 | 0 | 0 | 0 | 107.1 | K80 V84 | K80-V82 PolarHBondContact O-N 3.24Å; V82-V84 HydrophobicContact CG1-CG2 3.78Å; V82-V84 PolarHBondContact O-N 3.04Å |
| 83 | V | 28.2 | Very low | 28.4 | Very low | 100 Ų | 100 | 147 Ų | 147 | 61% | 0.606 | 81% | 0.812 | S | S | * | * | | | trans | -70.6 | 91.5 | 168 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | E81 K85 | E81-V83 PolarHBondContact O-N 3.17Å; V83-K85 HydrophobicContact CG1-CD 4.32Å; V83-K85 HydrophobicContact CG1-CG 3.9Å; V83-K85 PolarHBondContact O-N 3.27Å |
| 84 | V | 38.9 | Very low | 28.3 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | | | trans | -80 | 92.8 | 167.5 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | V82 | V82-V84 HydrophobicContact CG1-CG2 3.78Å; V82-V84 PolarHBondContact O-N 3.04Å |
| 85 | K | 27.1 | Very low | 28 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | | | trans | -83.3 | 117.7 | 166.5 | -86.7 | 176.6 | -179.7 | 179.7 | 0 | 109.9 | V83 | V83-K85 HydrophobicContact CG1-CD 4.32Å; V83-K85 HydrophobicContact CG1-CG 3.9Å; V83-K85 PolarHBondContact O-N 3.27Å |
| 86 | G | 22.3 | Very low | 27.9 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | 95 | 127.2 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 87 | G | 23.8 | Very low | 27.9 | Very low | 76 Ų | 76 | 151.9 Ų | 151.9 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | | | trans | 125.4 | 63.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 88 | C | 20.5 | Very low | 27.8 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 99% | 0.993 | 83% | 0.826 | S | S | * | * | | | | 23 | 104.6 | 92.7 | -114.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 89 | G | 28.4 | Very low | 27.7 | Very low | 79 Ų | 79 | 156.4 Ų | 156.4 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | | | trans | -175.2 | 77 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 90 | A | 25.9 | Very low | 27.8 | Very low | 94 Ų | 94 | 153.9 Ų | 153.9 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | | | trans | -71.4 | 150.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 91 | K | 29.6 | Very low | 27.6 | Very low | 202 Ų | 202 | 152.6 Ų | 152.6 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | | | trans | 167.5 | 95.6 | 152.8 | -94.8 | 179.2 | -173.2 | -165.1 | 0 | 104.1 | | |
| 92 | E | 24.1 | Very low | 27.7 | Very low | 180 Ų | 180 | 155.7 Ų | 155.7 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | | | | 39 | 93.8 | 60.2 | -151.5 | 177 | -156.9 | 0 | 0 | 112 | | |
| 93 | E | 25.3 | Very low | 27.3 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | | | | -176.9 | 147.5 | 124.3 | -107.2 | -179.6 | 162.8 | 0 | 0 | 114.3 | | |
| 94 | E | 27 | Very low | 27.4 | Very low | 170 Ų | 170 | 157 Ų | 157 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | trans | 76 | 85.7 | 155.9 | -68.7 | -166.3 | 140.3 | 0 | 0 | 121.9 | K96 | E94-K96 PolarHBondContact O-N 3.01Š|
| 95 | K | 24.2 | Very low | 26.8 | Very low | 196 Ų | 196 | 154.1 Ų | 154.1 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | | | | -16.6 | 118.4 | 129.1 | -69.8 | 174.8 | 175.8 | 175 | 0 | 114.1 | | |
| 96 | K | 28.9 | Very low | 26.9 | Very low | 212 Ų | 212 | 153.8 Ų | 153.8 | 92% | 0.922 | 83% | 0.834 | S | S | * | * | | | trans | -101 | 115.4 | 147.6 | -82 | -176.1 | 176 | 175.6 | 0 | 109.1 | E94 | E94-K96 PolarHBondContact O-N 3.01Š|
| 97 | E | 28.1 | Very low | 27.3 | Very low | 176 Ų | 176 | 158.2 Ų | 158.2 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 158.7 | 173.5 | -87.8 | -175.7 | 168.7 | 0 | 0 | 113.2 | | |
| 98 | P | 28.7 | Very low | 27.5 | Very low | 117 Ų | 117 | 160 Ų | 160 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 132.9 | -158.6 | 32.7 | -32 | 0 | 0 | 0 | 112.2 | E100 | P98-E100 PolarHBondContact O-N 3.26Š|
| 99 | R | 29.4 | Very low | 28 | Very low | 257 Ų | 257 | 159.9 Ų | 159.9 | 97% | 0.97 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 118.4 | 174.8 | -152.7 | 175.2 | -174.2 | 177.6 | 2.2 | 110.3 | | |
| 100 | E | 28.7 | Very low | 28.2 | Very low | 145 Ų | 145 | 163.1 Ų | 163.1 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 142 | 177.6 | -107.2 | -173.1 | 138.1 | 0 | 0 | 115 | P98 | P98-E100 PolarHBondContact O-N 3.26Š|
| 101 | K | 27.9 | Very low | 28.7 | Very low | 165 Ų | 165 | 165.7 Ų | 165.7 | 72% | 0.717 | 82% | 0.817 | S | S | * | * | | | trans | 40.6 | 118.6 | 134.4 | -64.6 | 171.8 | -172.2 | 156.9 | 0 | 119.2 | | |
| 102 | R | 30 | Very low | 29 | Very low | 253 Ų | 253 | 167.3 Ų | 167.3 | 96% | 0.955 | 82% | 0.817 | S | S | * | * | | | | -139.5 | 107.4 | 115.7 | -82.3 | -171.2 | -178.3 | 161.2 | 0.3 | 109.9 | | |
| 103 | S | 26.2 | Very low | 29.4 | Very low | 116 Ų | 116 | 162.6 Ų | 162.6 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | | | trans | -66.7 | 129.7 | 163.1 | 46.8 | 0 | 0 | 0 | 0 | 110 | | |
| 104 | C | 30.3 | Very low | 29.8 | Very low | 134 Ų | 134 | 160.2 Ų | 160.2 | 91% | 0.905 | 81% | 0.814 | S | S | * | * | | | trans | -138.7 | 109.1 | 162.9 | -152.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 105 | G | 25.9 | Very low | 29.9 | Very low | 68 Ų | 68 | 154.4 Ų | 154.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | trans | 75.8 | 96.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 106 | E | 30.7 | Very low | 30.3 | Very low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 53.2 | 118.7 | 137.4 | -70.5 | -175.8 | 120.3 | 0 | 0 | 121.4 | | |
| 107 | K | 29 | Very low | 30.6 | Very low | 177 Ų | 177 | 145 Ų | 145 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | 65.6 | 79.1 | 156.2 | -61.2 | -179.9 | -177.5 | 174.8 | 0 | 116.1 | | |
| 108 | C | 29.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -132.7 | 76 | 155.9 | -76.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 109 | D | 31.1 | Very low | 31.2 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -66.8 | 132.7 | 165.5 | -61.6 | -50.3 | 0 | 0 | 0 | 108.4 | | |
| 110 | D | 32.8 | Very low | 31.6 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | 68.7 | 55.2 | 166.8 | -56.5 | -33.6 | 0 | 0 | 0 | 119.6 | | |
| 111 | L | 36.5 | Very low | 31.9 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | -105.6 | 85.9 | 156 | -68.1 | 177.8 | 0 | 0 | 0 | 110.9 | G113 | L111-G113 PolarHBondContact O-N 3.35Š|
| 112 | R | 34.8 | Very low | 32.3 | Very low | 236 Ų | 236 | 144.6 Ų | 144.6 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -61.1 | 104.8 | 162.6 | -87.5 | 179.4 | -124 | -165.3 | -1.4 | 108.7 | V114 | R112-V114 PolarHBondContact O-N 2.99Š|
| 113 | G | 33.1 | Very low | 32.2 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -58.3 | 116.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L111 | L111-G113 PolarHBondContact O-N 3.35Š|
| 114 | V | 33.7 | Very low | 32.8 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -84.2 | 132.8 | 167.2 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | R112 | R112-V114 PolarHBondContact O-N 2.99Š|
| 115 | G | 29.9 | Very low | 33.3 | Very low | 47 Ų | 47 | 145.6 Ų | 145.6 | 49% | 0.485 | 78% | 0.783 | S | S | . | * | | | trans | -56.2 | 177.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | G117 | G115-G117 PolarHBondContact O-N 3.25Š|
| 116 | P | 30.7 | Very low | 34.3 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 94% | 0.942 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 120.4 | -167.6 | 27.1 | -33.1 | 0 | 0 | 0 | 110.5 | | |
| 117 | G | 35.2 | Very low | 34.5 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.3 | -7.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G115 | G115-G117 PolarHBondContact O-N 3.25Š|
| 118 | Y | 32.1 | Very low | 34.9 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | -128.5 | 113 | 177.2 | -63.7 | -81.8 | 0 | 0 | 0 | 111.1 | K120 | Y118-K120 PolarHBondContact O-N 3.11Å; Y118-K120 VanDerWaalsContact O-N 3.11Å |
| 119 | E | 38.6 | Very low | 34.9 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 94% | 0.935 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -65.5 | 106.1 | 162.4 | -109.5 | -179.7 | 153.2 | 0 | 0 | 108.5 | | |
| 120 | K | 38.1 | Very low | 35.4 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | | | trans | 38.8 | 89 | 161.3 | -67.3 | 177.9 | 179.4 | 176.6 | 0 | 115.9 | Y118 F122 | Y118-K120 PolarHBondContact O-N 3.11Å; Y118-K120 VanDerWaalsContact O-N 3.11Å; K120-F122 HydrophobicContact CB-CE2 4.31Å |
| 121 | S | 33.6 | Very low | 35.7 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -106.4 | 118.2 | 159.7 | 58.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 122 | F | 37.3 | Very low | 35.8 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | -88.6 | 143.9 | 170.4 | -63.5 | -86.4 | 0 | 0 | 0 | 110 | K120 | K120-F122 HydrophobicContact CB-CE2 4.31Š|
| 123 | L | 27.9 | Very low | 36 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | | | trans | -97.4 | 104 | 177.7 | -124.2 | 150.8 | 0 | 0 | 0 | 107.6 | | |
| 124 | D | 38.8 | Very low | 36.1 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | | | trans | -73.3 | 140.7 | 175.1 | -72.7 | -19.5 | 0 | 0 | 0 | 110.7 | A126 G127 | D124-A126 PolarHBondContact O-N 3.22Å; D124-G127 PolarHBondContact O-N 3.11Å |
| 125 | Y | 41.2 | Very low | 36.3 | Very low | 247 Ų | 247 | 141.5 Ų | 141.5 | 97% | 0.969 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -10.5 | -175.5 | -145.4 | -96.3 | 0 | 0 | 0 | 115.1 | | |
| 126 | A | 45.6 | Very low | 36.6 | Very low | 78 Ų | 78 | 147.7 Ų | 147.7 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 7.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D124 K128 | D124-A126 PolarHBondContact O-N 3.22Å; A126-K128 PolarHBondContact O-N 3.47Å; A126-K128 VanDerWaalsContact O-N 3.16Å |
| 127 | G | 35.3 | Very low | 36.6 | Very low | 67 Ų | 67 | 147.8 Ų | 147.8 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | 64.4 | 21.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D124 | D124-G127 PolarHBondContact O-N 3.11Š|
| 128 | K | 36.8 | Very low | 36.6 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | -97.3 | 106.8 | 179 | -68.2 | -176.8 | -176.8 | 177.3 | 0 | 110.3 | A126 K130 | A126-K128 PolarHBondContact O-N 3.47Å; A126-K128 VanDerWaalsContact O-N 3.16Å; K128-K130 PolarHBondContact O-N 2.94Å; K128-K130 VanDerWaalsContact O-N 3.08Å |
| 129 | F | 29.7 | Very low | 36.8 | Very low | 197 Ų | 197 | 147.1 Ų | 147.1 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | trans | -66.7 | 102.7 | 176 | -167.7 | -95.9 | 0 | 0 | 0 | 110.8 | | |
| 130 | K | 41.6 | Very low | 36.4 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | | | trans | -100.2 | 55.5 | 166.7 | -74.8 | -175.1 | 177 | 177.3 | 0 | 110.3 | K128 | K128-K130 PolarHBondContact O-N 2.94Å; K128-K130 VanDerWaalsContact O-N 3.08Å |
| 131 | G | 40.1 | Very low | 35.8 | Very low | 41 Ų | 41 | 146.8 Ų | 146.8 | 42% | 0.423 | 76% | 0.758 | S | S | . | * | | | trans | -87.3 | 120.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 132 | G | 38.3 | Very low | 35.7 | Very low | 74 Ų | 74 | 150 Ų | 150 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | | | trans | -51.6 | 150 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R134 | G132-R134 PolarHBondContact O-N 3.36Š|
| 133 | A | 38 | Very low | 35.2 | Very low | 99 Ų | 99 | 150.2 Ų | 150.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -43.2 | 124 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K135 | A133-K135 PolarHBondContact O-N 3.21Å; A133-K135 VanDerWaalsContact O-N 3.09Å |
| 134 | R | 35.5 | Very low | 35.4 | Very low | 220 Ų | 220 | 146.9 Ų | 146.9 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | | | trans | -49.4 | 116.9 | 170.9 | -76 | 177.4 | 167.7 | -173.6 | -5 | 109.1 | G132 F136 | G132-R134 PolarHBondContact O-N 3.36Å; R134-F136 PolarHBondContact O-N 3.42Å |
| 135 | K | 39.3 | Very low | 35 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | | | trans | -66.2 | 102.2 | 160.8 | -67 | -179.3 | -178.3 | 177.1 | 0 | 106.2 | A133 L137 | A133-K135 PolarHBondContact O-N 3.21Å; A133-K135 VanDerWaalsContact O-N 3.09Å; K135-L137 PolarHBondContact O-N 2.92Å; K135-L137 VanDerWaalsContact O-N 3.11Å |
| 136 | F | 34.7 | Very low | 34.6 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | -64.8 | 107.9 | 158.7 | -74.7 | -88.1 | 0 | 0 | 0 | 105.7 | R134 | R134-F136 PolarHBondContact O-N 3.42Š|
| 137 | L | 31.5 | Very low | 33.8 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -61.6 | 126.5 | 159.3 | -71.2 | 169.6 | 0 | 0 | 0 | 105.8 | K135 I139 | K135-L137 PolarHBondContact O-N 2.92Å; K135-L137 VanDerWaalsContact O-N 3.11Å; L137-I139 PolarHBondContact O-N 2.88Å; L137-I139 VanDerWaalsContact O-N 3.12Å |
| 138 | P | 35.7 | Very low | 33.7 | Very low | 83 Ų | 83 | 154.1 Ų | 154.1 | 54% | 0.539 | 77% | 0.765 | S | S | . | * | | | trans | -54.4 | 122 | 175.5 | 17.5 | -27.2 | 0 | 0 | 0 | 108.9 | Y140 | P138-Y140 VanDerWaalsContact C-N 3.33Å; P138-Y140 HydrophobicContact CB-CE2 4.12Å; P138-Y140 HydrophobicContact CG-CE2 3.73Å; P138-Y140 WeakPolarHBondContact O-CD2 3.34Å; P138-Y140 PolarHBondContact O-N 3.42Å |
| 139 | I | 36.2 | Very low | 33.1 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -74.9 | 95.3 | 171.9 | -58.5 | 171.7 | 0 | 0 | 0 | 105.1 | L137 Q141 | L137-I139 PolarHBondContact O-N 2.88Å; L137-I139 VanDerWaalsContact O-N 3.12Å; I139-Q141 PolarHBondContact O-N 3.31Å |
| 140 | Y | 29.5 | Very low | 33.2 | Very low | 193 Ų | 193 | 151.3 Ų | 151.3 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | -68.7 | 111.3 | 166.3 | -63.1 | -80.8 | 0 | 0 | 0 | 107.1 | P138 K142 | P138-Y140 VanDerWaalsContact C-N 3.33Å; P138-Y140 HydrophobicContact CB-CE2 4.12Å; P138-Y140 HydrophobicContact CG-CE2 3.73Å; P138-Y140 WeakPolarHBondContact O-CD2 3.34Å; P138-Y140 PolarHBondContact O-N 3.42Å; Y140-K142 PolarHBondContact O-N 3.2Å |
| 141 | Q | 26 | Very low | 32.6 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | | | trans | -66.5 | 96.3 | 156.7 | -82.4 | 179.9 | -35.1 | 0 | 0 | 106.1 | I139 E143 | I139-Q141 PolarHBondContact O-N 3.31Å; Q141-E143 PolarHBondContact O-N 2.97Å |
| 142 | K | 30.3 | Very low | 32.2 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | -86 | 93.3 | 170.5 | -163.9 | -177.4 | -177.4 | -173.3 | 0 | 106.2 | Y140 V144 | Y140-K142 PolarHBondContact O-N 3.2Å; K142-V144 HydrophobicContact CB-CG2 4.48Å; K142-V144 HydrophobicContact CD-CG2 3.88Å; K142-V144 HydrophobicContact CG-CG2 3.83Å; K142-V144 PolarHBondContact O-N 3.14Å; K142-V144 VanDerWaalsContact O-N 3.13Å |
| 143 | E | 27.8 | Very low | 31.6 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -66.5 | 104.4 | 157.5 | -70.5 | -177.2 | 171.1 | 0 | 0 | 105.8 | Q141 S145 | Q141-E143 PolarHBondContact O-N 2.97Å; E143-S145 VanDerWaalsContact C-N 3.3Å; E143-S145 PolarHBondContact O-N 3.46Å |
| 144 | V | 30.9 | Very low | 30.8 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | | | trans | -84.2 | 85.8 | 172.1 | -176.4 | 0 | 0 | 0 | 0 | 105.5 | K142 | K142-V144 HydrophobicContact CB-CG2 4.48Å; K142-V144 HydrophobicContact CD-CG2 3.88Å; K142-V144 HydrophobicContact CG-CG2 3.83Å; K142-V144 PolarHBondContact O-N 3.14Å; K142-V144 VanDerWaalsContact O-N 3.13Å |
| 145 | S | 30.2 | Very low | 30.2 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -75.5 | 119.8 | 158.4 | 45.5 | 0 | 0 | 0 | 0 | 108 | E143 | E143-S145 VanDerWaalsContact C-N 3.3Å; E143-S145 PolarHBondContact O-N 3.46Å |
| 146 | E | 33 | Very low | 29.2 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | 50.8 | 99.7 | 149.6 | -59.6 | -177.9 | 175.7 | 0 | 0 | 117.5 | K148 | E146-K148 PolarHBondContact O-N 3.01Š|
| 147 | E | 30.1 | Very low | 28.7 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | -52.8 | 97.3 | 162.3 | -60.9 | 174.4 | 160.9 | 0 | 0 | 110.5 | | |
| 148 | K | 31.8 | Very low | 28.6 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -84.3 | 110.9 | 155.3 | -85 | 178.7 | 178 | 172.4 | 0 | 108 | E146 V150 | E146-K148 PolarHBondContact O-N 3.01Å; K148-V150 PolarHBondContact O-N 3.35Å; K148-V150 VanDerWaalsContact O-N 3.09Å |
| 149 | E | 25.4 | Very low | 28 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -49.5 | 111.3 | 166 | -72.9 | -176.2 | 139.9 | 0 | 0 | 110 | | |
| 150 | V | 31.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | | | trans | -101.7 | 90.7 | 159.2 | -174.6 | 0 | 0 | 0 | 0 | 106.7 | K148 V152 | K148-V150 PolarHBondContact O-N 3.35Å; K148-V150 VanDerWaalsContact O-N 3.09Å; V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 HydrophobicContact CG1-CG2 3.9Å; V150-V152 PolarHBondContact O-N 3.22Å |
| 151 | V | 28.1 | Very low | 27.3 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | | | trans | -65.1 | 92.7 | 166.2 | 176.5 | 0 | 0 | 0 | 0 | 107.8 | K153 | V151-K153 VanDerWaalsContact C-N 3.31Å; V151-K153 HydrophobicContact CG1-CB 4.39Å; V151-K153 HydrophobicContact CG1-CD 4.13Å; V151-K153 HydrophobicContact CG1-CG 3.73Å; V151-K153 PolarHBondContact O-N 3.22Å |
| 152 | V | 33 | Very low | 27.4 | Very low | 125 Ų | 125 | 144 Ų | 144 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | | | trans | -82.4 | 86.2 | 162.3 | -174.7 | 0 | 0 | 0 | 0 | 107.4 | V150 | V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 HydrophobicContact CG1-CG2 3.9Å; V150-V152 PolarHBondContact O-N 3.22Å |
| 153 | K | 24.7 | Very low | 27.3 | Very low | 188 Ų | 188 | 144 Ų | 144 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | | | trans | -76 | 127.3 | 160.4 | -87.5 | 175.4 | 179.6 | 178.4 | 0 | 108.5 | V151 | V151-K153 VanDerWaalsContact C-N 3.31Å; V151-K153 HydrophobicContact CG1-CB 4.39Å; V151-K153 HydrophobicContact CG1-CD 4.13Å; V151-K153 HydrophobicContact CG1-CG 3.73Å; V151-K153 PolarHBondContact O-N 3.22Å |
| 154 | G | 22 | Very low | 27.4 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | 116.7 | 116.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 155 | G | 21.4 | Very low | 27.4 | Very low | 81 Ų | 81 | 147.9 Ų | 147.9 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | 151.2 | 55.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 156 | C | 19 | Very low | 27.5 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 98% | 0.98 | 81% | 0.808 | S | S | * | * | | | trans | -78.6 | 125.1 | 161.9 | -162.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 157 | G | 24.7 | Very low | 27.4 | Very low | 71 Ų | 71 | 152 Ų | 152 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | 150.4 | 139.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 158 | A | 29.4 | Very low | 27.4 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | 92.2 | 77 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 159 | K | 23 | Very low | 27.6 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | | | | -48.4 | 132.6 | 129.6 | -76.2 | 172.4 | 165.4 | 177.9 | 0 | 109.3 | | |
| 160 | E | 26.8 | Very low | 27.7 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | | -162.7 | 136.7 | 125.3 | -140.6 | 171.8 | 173.2 | 0 | 0 | 110.7 | | |
| 161 | E | 24.1 | Very low | 27.7 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | | | trans | -61.4 | 140.8 | 171.4 | -67.2 | 172.2 | 104.7 | 0 | 0 | 110.9 | | |
| 162 | E | 28.5 | Very low | 27.8 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -143.1 | 106.7 | 136.2 | -132 | -170.2 | -174.4 | 0 | 0 | 109.9 | K164 | E162-K164 PolarHBondContact O-N 3.29Š|
| 163 | K | 26.8 | Very low | 27.5 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 76% | 0.757 | 82% | 0.816 | S | S | * | * | | | trans | -54.4 | 120.2 | 163.7 | -74.8 | 169.4 | 175.3 | 167.9 | 0 | 109 | | |
| 164 | K | 31.6 | Very low | 27.6 | Very low | 184 Ų | 184 | 144 Ų | 144 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | | | trans | -120.4 | 106.7 | 147.2 | -80.3 | -176.3 | -179.6 | 166.3 | 0 | 109 | E162 | E162-K164 PolarHBondContact O-N 3.29Š|
| 165 | E | 30.5 | Very low | 27.9 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -53 | 144.1 | 174 | -66.7 | 176.9 | 149.9 | 0 | 0 | 111.6 | R167 | E165-R167 PolarHBondContact O-N 2.94Š|
| 166 | P | 30.9 | Very low | 28.4 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | | | trans | -71.4 | 111.6 | 176.3 | 29.5 | -31.9 | 0 | 0 | 0 | 109 | E168 | P166-E168 PolarHBondContact O-N 3.35Š|
| 167 | R | 31.2 | Very low | 29 | Very low | 244 Ų | 244 | 149.5 Ų | 149.5 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | -63.8 | 104 | 173.9 | -155.3 | 175.1 | -173.5 | -179.3 | 2.7 | 109 | E165 K169 | E165-R167 PolarHBondContact O-N 2.94Å; R167-K169 PolarHBondContact O-N 2.9Å; R167-K169 VanDerWaalsContact O-N 3.08Å |
| 168 | E | 30.8 | Very low | 29.6 | Very low | 137 Ų | 137 | 153.3 Ų | 153.3 | 64% | 0.64 | 81% | 0.805 | S | S | * | * | | | trans | -51 | 109.6 | 168.5 | -71.8 | -171.9 | 163.5 | 0 | 0 | 109.8 | P166 R170 | P166-E168 PolarHBondContact O-N 3.35Å; E168-R170 PolarHBondContact O-N 2.87Å; E168-R170 IonicContact OE1-NH2 3.7Å; E168-R170 IonicContact OE2-CZ 3.37Å; E168-R170 VanDerWaalsContact OE2-CZ 3.3Å; E168-R170 IonicContact OE2-NE 2.83Å; E168-R170 PolarHBondContact OE2-NE 3.49Å; E168-R170 IonicContact OE2-NH2 3.89Å; E168-R170 PolarHBondContact OE2-NH2 3.42Å |
| 169 | K | 35.9 | Very low | 30 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -90.2 | 86.3 | 153.7 | -77.9 | -172.4 | 178.1 | -179.3 | 0 | 107.6 | R167 C171 | R167-K169 PolarHBondContact O-N 2.9Å; R167-K169 VanDerWaalsContact O-N 3.08Å; K169-C171 PolarHBondContact O-N 3.37Å |
| 170 | R | 28.3 | Very low | 30.8 | Very low | 194 Ų | 194 | 155.2 Ų | 155.2 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | -62.5 | 112.7 | 157 | -67 | 179.4 | -169.7 | -172.7 | -0.7 | 107.4 | E168 | E168-R170 PolarHBondContact O-N 2.87Å; E168-R170 IonicContact OE1-NH2 3.7Å; E168-R170 IonicContact OE2-CZ 3.37Å; E168-R170 VanDerWaalsContact OE2-CZ 3.3Å; E168-R170 IonicContact OE2-NE 2.83Å; E168-R170 PolarHBondContact OE2-NE 3.49Å; E168-R170 IonicContact OE2-NH2 3.89Å; E168-R170 PolarHBondContact OE2-NH2 3.42Å |
| 171 | C | 32.2 | Very low | 31.2 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -103.5 | 81.7 | 151.5 | -76.1 | 0 | 0 | 0 | 0 | 106.9 | K169 | K169-C171 PolarHBondContact O-N 3.37Š|
| 172 | S | 29.5 | Very low | 31.8 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -70.1 | 121.8 | 157.5 | 47.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 173 | G | 26.2 | Very low | 32 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | | | trans | 108.9 | 119.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 174 | G | 26.1 | Very low | 32.3 | Very low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | 111 | 89.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 175 | K | 28.4 | Very low | 32.7 | Very low | 197 Ų | 197 | 134 Ų | 134 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 39.9 | 113.2 | 142.5 | -64.3 | 178.4 | 179.2 | 178.9 | 0 | 118.4 | | |
| 176 | S | 33 | Very low | 32.8 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | 50.7 | 77.9 | 152.9 | 62.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 177 | C | 30.6 | Very low | 33.2 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -119.9 | 83 | 158.2 | -69.9 | 0 | 0 | 0 | 0 | 108.4 | L179 | C177-L179 PolarHBondContact O-N 3.28Š|
| 178 | D | 38.5 | Very low | 33.5 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | | | trans | -71.3 | 54 | 164.3 | -73.2 | -50.9 | 0 | 0 | 0 | 110.4 | R180 | D178-R180 PolarHBondContact O-N 2.93Š|
| 179 | L | 37.3 | Very low | 33.9 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | trans | -92 | 80.2 | 168.1 | -69 | 175.5 | 0 | 0 | 0 | 107.6 | C177 G181 | C177-L179 PolarHBondContact O-N 3.28Å; L179-G181 VanDerWaalsContact C-N 3.28Å; L179-G181 PolarHBondContact O-N 3.16Å |
| 180 | R | 39.9 | Very low | 33.8 | Very low | 218 Ų | 218 | 126.1 Ų | 126.1 | 82% | 0.823 | 73% | 0.727 | S | S | * | * | | | trans | -64.3 | 93.9 | 162.2 | -70.1 | -175.9 | -172.6 | -163.5 | 3.1 | 107.5 | D178 V182 | D178-R180 PolarHBondContact O-N 2.93Å; R180-V182 PolarHBondContact O-N 3.41Å; R180-V182 VanDerWaalsContact O-N 3.1Å |
| 181 | G | 34.6 | Very low | 34 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | trans | -56.5 | 112.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L179 | L179-G181 VanDerWaalsContact C-N 3.28Å; L179-G181 PolarHBondContact O-N 3.16Å |
| 182 | V | 37 | Very low | 34.7 | Very low | 90 Ų | 90 | 119.4 Ų | 119.4 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -76.9 | 131.7 | 168.7 | -177 | 0 | 0 | 0 | 0 | 107.2 | R180 Y186 | R180-V182 PolarHBondContact O-N 3.41Å; R180-V182 VanDerWaalsContact O-N 3.1Å; V182-Y186 HydrophobicContact CG1-CD2 3.79Å; V182-Y186 HydrophobicContact CG1-CE2 4.13Å |
| 183 | G | 33.5 | Very low | 35.4 | Very low | 45 Ų | 45 | 126 Ų | 126 | 46% | 0.464 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -55 | 168 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G185 | G183-G185 PolarHBondContact O-N 3.24Š|
| 184 | P | 33.3 | Very low | 36.7 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 96% | 0.955 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 123.2 | -170.4 | 25.3 | -33.3 | 0 | 0 | 0 | 110.4 | | |
| 185 | G | 39 | Very low | 37.7 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.8 | -6.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G183 | G183-G185 PolarHBondContact O-N 3.24Š|
| 186 | Y | 33.2 | Very low | 38.4 | Very low | 127 Ų | 127 | 125 Ų | 125 | 50% | 0.498 | 68% | 0.684 | S | S | . | * | | | trans | -119.6 | 106.8 | 174.4 | -61.2 | -85.5 | 0 | 0 | 0 | 110.2 | V182 K188 | V182-Y186 HydrophobicContact CG1-CD2 3.79Å; V182-Y186 HydrophobicContact CG1-CE2 4.13Å; Y186-K188 PolarHBondContact O-N 3.34Å |
| 187 | E | 39.7 | Very low | 38.6 | Very low | 193 Ų | 193 | 126.5 Ų | 126.5 | 90% | 0.902 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -76.8 | 105.3 | 166.4 | -134.9 | 177 | -173.7 | 0 | 0 | 107.5 | | |
| 188 | K | 37 | Very low | 39.4 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 78% | 0.778 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 63.5 | 84.4 | 173.2 | -56.6 | 176.3 | -176.7 | 176.7 | 0 | 115.3 | Y186 | Y186-K188 PolarHBondContact O-N 3.34Š|
| 189 | S | 38.3 | Very low | 39.7 | Very low | 37 Ų | 37 | 122.9 Ų | 122.9 | 26% | 0.259 | 65% | 0.649 | S | S | . | * | | | trans | -122.9 | 118 | 158.4 | 61 | 0 | 0 | 0 | 0 | 109.8 | | |
| 190 | Y | 35.6 | Very low | 39.8 | Very low | 172 Ų | 172 | 119.9 Ų | 119.9 | 68% | 0.675 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 145 | 170.2 | -62 | -87.3 | 0 | 0 | 0 | 109.2 | | |
| 191 | L | 32 | Very low | 39.8 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | B | Isolated β-bridge | trans | -85.8 | 123.6 | 167.6 | -80.8 | 157.9 | 0 | 0 | 0 | 107.6 | | |
| 192 | D | 46.7 | Very low | 40 | Very low | 65 Ų | 65 | 119.7 Ų | 119.7 | 35% | 0.348 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 151.6 | 169.3 | -71.1 | -12.7 | 0 | 0 | 0 | 109.4 | D194 G195 K198 | D192-D194 PolarHBondContact O-N 3.32Å; D192-G195 PolarHBondContact O-N 3.12Å; D192-K198 WeakPolarHBondContact OD2-CD 3.33Å; D192-K198 WeakPolarHBondContact OD2-CE 3.46Å; D192-K198 IonicContact OD2-NZ 3.92Å; D192-K198 PolarHBondContact OD2-NZ 2.94Å |
| 193 | Y | 43.9 | Very low | 40.2 | Very low | 250 Ų | 250 | 125 Ų | 125 | 98% | 0.98 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -26.5 | -176.8 | -78 | -84.6 | 0 | 0 | 0 | 114.3 | G195 | Y193-G195 VanDerWaalsContact C-N 3.29Å; Y193-G195 PolarHBondContact O-N 3.03Å |
| 194 | D | 54.4 | Low | 40.6 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 8.7 | 177.2 | -62.3 | -39.2 | 0 | 0 | 0 | 114 | D192 H196 | D192-D194 PolarHBondContact O-N 3.32Å; D194-H196 VanDerWaalsContact C-N 3.32Å; D194-H196 PolarHBondContact O-CE1 3.05Å; D194-H196 PolarHBondContact O-N 3.06Å; D194-H196 PolarHBondContact O-ND1 3.36Å |
| 195 | G | 45.1 | Very low | 40.6 | Very low | 58 Ų | 58 | 131.4 Ų | 131.4 | 60% | 0.598 | 67% | 0.67 | S | S | * | * | | | trans | 73 | 16.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D192 Y193 | D192-G195 PolarHBondContact O-N 3.12Å; Y193-G195 VanDerWaalsContact C-N 3.29Å; Y193-G195 PolarHBondContact O-N 3.03Å |
| 196 | H | 43.5 | Very low | 40.4 | Very low | 128 Ų | 128 | 132 Ų | 132 | 59% | 0.593 | 66% | 0.66 | S | S | * | * | | | trans | -89.7 | 120.1 | 179.9 | -68.7 | 72.3 | 0 | 0 | 0 | 111.1 | D194 K198 | D194-H196 VanDerWaalsContact C-N 3.32Å; D194-H196 PolarHBondContact O-CE1 3.05Å; D194-H196 PolarHBondContact O-N 3.06Å; D194-H196 PolarHBondContact O-ND1 3.36Å; H196-K198 PolarHBondContact O-N 3.13Å; H196-K198 VanDerWaalsContact O-N 3.14Å |
| 197 | F | 37.6 | Very low | 40.8 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 63% | 0.632 | 68% | 0.675 | S | S | * | * | B | Isolated β-bridge | trans | -71.1 | 104.3 | 178.2 | -174.8 | -95.4 | 0 | 0 | 0 | 110.8 | | |
| 198 | K | 47.3 | Very low | 40.3 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 68% | 0.683 | 67% | 0.669 | S | S | * | * | | | trans | -103.5 | 54.2 | 168.8 | -68.5 | -176.9 | -171.9 | 147.5 | 0 | 111 | D192 H196 | D192-K198 WeakPolarHBondContact OD2-CD 3.33Å; D192-K198 WeakPolarHBondContact OD2-CE 3.46Å; D192-K198 IonicContact OD2-NZ 3.92Å; D192-K198 PolarHBondContact OD2-NZ 2.94Å; H196-K198 PolarHBondContact O-N 3.13Å; H196-K198 VanDerWaalsContact O-N 3.14Å |
| 199 | G | 45.1 | Very low | 39.9 | Very low | 26 Ų | 26 | 133.6 Ų | 133.6 | 27% | 0.268 | 67% | 0.671 | S | S | . | * | | | trans | -89.1 | 120.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 200 | G | 40.3 | Very low | 39.6 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 70% | 0.698 | S | S | * | * | | | trans | -54.3 | 153.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R202 | G200-R202 PolarHBondContact O-N 3.03Š|
| 201 | A | 38.7 | Very low | 39.4 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | | | trans | -43.4 | 127.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K203 | A201-K203 PolarHBondContact O-N 3.05Š|
| 202 | R | 39.8 | Very low | 39.3 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | | | trans | -52.1 | 113.1 | 171.5 | -75.5 | 178 | 168.6 | -174.8 | -3.7 | 109.4 | G200 F204 | G200-R202 PolarHBondContact O-N 3.03Å; R202-F204 PolarHBondContact O-N 3.39Å |
| 203 | K | 41.3 | Very low | 38.5 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | | | trans | -73.4 | 105.5 | 160.2 | -67.6 | -177.7 | -177.9 | 177.4 | 0 | 106.4 | A201 L205 | A201-K203 PolarHBondContact O-N 3.05Å; K203-L205 PolarHBondContact O-N 3.36Å |
| 204 | F | 40.2 | Very low | 37.8 | Very low | 173 Ų | 173 | 139 Ų | 139 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 118 | 164.3 | -72 | -90.8 | 0 | 0 | 0 | 106.7 | R202 | R202-F204 PolarHBondContact O-N 3.39Š|
| 205 | L | 33.6 | Very low | 36.6 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 129.1 | 159.5 | -72.8 | 166.9 | 0 | 0 | 0 | 106.3 | K203 I207 | K203-L205 PolarHBondContact O-N 3.36Å; L205-I207 PolarHBondContact O-N 2.89Å; L205-I207 VanDerWaalsContact O-N 3.11Å |
| 206 | P | 36.2 | Very low | 35.9 | Very low | 85 Ų | 85 | 147.6 Ų | 147.6 | 55% | 0.552 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 121.1 | 176.6 | 19.1 | -29 | 0 | 0 | 0 | 109 | Y208 | P206-Y208 VanDerWaalsContact C-N 3.32Å; P206-Y208 HydrophobicContact CB-CE2 4.25Å; P206-Y208 HydrophobicContact CG-CE2 3.85Å; P206-Y208 WeakPolarHBondContact O-CD2 3.47Å; P206-Y208 PolarHBondContact O-N 3.48Å |
| 207 | I | 40.1 | Very low | 35.1 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | | | trans | -75.4 | 94.4 | 172.4 | -55.6 | 172.3 | 0 | 0 | 0 | 105 | L205 Q209 | L205-I207 PolarHBondContact O-N 2.89Å; L205-I207 VanDerWaalsContact O-N 3.11Å; I207-Q209 PolarHBondContact O-N 2.86Å; I207-Q209 VanDerWaalsContact O-N 3.13Å |
| 208 | Y | 28.7 | Very low | 34.8 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | | | trans | -64.7 | 110.9 | 166.5 | -64.6 | -80.8 | 0 | 0 | 0 | 107.2 | P206 K210 | P206-Y208 VanDerWaalsContact C-N 3.32Å; P206-Y208 HydrophobicContact CB-CE2 4.25Å; P206-Y208 HydrophobicContact CG-CE2 3.85Å; P206-Y208 WeakPolarHBondContact O-CD2 3.47Å; P206-Y208 PolarHBondContact O-N 3.48Å; Y208-K210 PolarHBondContact O-N 3.34Å |
| 209 | Q | 29.5 | Very low | 33.9 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | -61.6 | 108.4 | 160.1 | -91.5 | 177.8 | -34.4 | 0 | 0 | 106.4 | I207 E211 | I207-Q209 PolarHBondContact O-N 2.86Å; I207-Q209 VanDerWaalsContact O-N 3.13Å; Q209-E211 VanDerWaalsContact C-N 3.28Å; Q209-E211 PolarHBondContact O-N 3.33Å; Q209-E211 VanDerWaalsContact O-N 3.09Å |
| 210 | K | 31.6 | Very low | 33.4 | Very low | 189 Ų | 189 | 151.7 Ų | 151.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -80.2 | 86.8 | 172.9 | -154.3 | 178.4 | -173.1 | -175.3 | 0 | 106.1 | Y208 V212 | Y208-K210 PolarHBondContact O-N 3.34Å; K210-V212 PolarHBondContact O-N 2.98Å; K210-V212 VanDerWaalsContact O-N 3.07Å |
| 211 | E | 31.6 | Very low | 32.7 | Very low | 166 Ų | 166 | 157.4 Ų | 157.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -65.3 | 103 | 161.7 | -71.9 | -176.8 | 170.7 | 0 | 0 | 106.5 | Q209 S213 | Q209-E211 VanDerWaalsContact C-N 3.28Å; Q209-E211 PolarHBondContact O-N 3.33Å; Q209-E211 VanDerWaalsContact O-N 3.09Å; E211-S213 PolarHBondContact O-N 3.08Å |
| 212 | V | 29.7 | Very low | 31.9 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | | | trans | -76.8 | 84 | 168.3 | -175.1 | 0 | 0 | 0 | 0 | 105.1 | K210 | K210-V212 PolarHBondContact O-N 2.98Å; K210-V212 VanDerWaalsContact O-N 3.07Å |
| 213 | S | 30.8 | Very low | 31.1 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -71.2 | 129.8 | 161.9 | 37.7 | 0 | 0 | 0 | 0 | 107.8 | E211 | E211-S213 PolarHBondContact O-N 3.08Š|
| 214 | E | 28.6 | Very low | 30.1 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -59.7 | 143.6 | 179.9 | -66.5 | 165.5 | 153.6 | 0 | 0 | 111.4 | | |
| 215 | E | 28.5 | Very low | 29.5 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | 52.6 | 86.5 | 147.4 | -59.9 | -179.1 | -179.9 | 0 | 0 | 118.4 | | |
| 216 | K | 31.2 | Very low | 29.2 | Very low | 198 Ų | 198 | 141 Ų | 141 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -138 | 101.5 | 136.4 | -74.6 | -169.8 | 177.4 | 166.9 | 0 | 109.8 | V218 | K216-V218 PolarHBondContact O-N 3.12Å; K216-V218 VanDerWaalsContact O-N 3.1Å |
| 217 | E | 26 | Very low | 28.8 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | -52.2 | 111.4 | 158.1 | -74.4 | -174.9 | 142.5 | 0 | 0 | 108.8 | | |
| 218 | V | 31.9 | Very low | 28.1 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -117.7 | 91.3 | 157.1 | -169.6 | 0 | 0 | 0 | 0 | 106.2 | K216 V220 | K216-V218 PolarHBondContact O-N 3.12Å; K216-V218 VanDerWaalsContact O-N 3.1Å; V218-V220 HydrophobicContact CG1-CG2 3.81Å; V218-V220 PolarHBondContact O-N 2.91Å |
| 219 | V | 28.7 | Very low | 28.1 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 70% | 0.697 | 80% | 0.796 | S | S | * | * | | | trans | -63.5 | 97.5 | 165.6 | 176.5 | 0 | 0 | 0 | 0 | 107.4 | K221 | V219-K221 HydrophobicContact CG1-CG 4.13Š|
| 220 | V | 34.1 | Very low | 28.2 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | -104.9 | 94 | 159 | -173.1 | 0 | 0 | 0 | 0 | 107.5 | V218 | V218-V220 HydrophobicContact CG1-CG2 3.81Å; V218-V220 PolarHBondContact O-N 2.91Å |
| 221 | K | 25.3 | Very low | 28 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 128.9 | 161.2 | -77.4 | 179.3 | 175.3 | 177 | 0 | 108.4 | V219 | V219-K221 HydrophobicContact CG1-CG 4.13Š|
| 222 | G | 23.1 | Very low | 28.1 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 134.9 | 116.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 223 | G | 23.1 | Very low | 28.2 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | 118.4 | 89 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 224 | C | 20.2 | Very low | 28.3 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 97% | 0.973 | 80% | 0.803 | S | S | * | * | | | trans | -70.1 | 145.2 | 150.7 | -84.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 225 | G | 27.3 | Very low | 28.5 | Very low | 71 Ų | 71 | 151.3 Ų | 151.3 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | 133.7 | 94.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 226 | A | 27 | Very low | 28.7 | Very low | 100 Ų | 100 | 151.5 Ų | 151.5 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | | 60.6 | 101.7 | 76 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 227 | K | 28.4 | Very low | 28.9 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | | | trans | 157.4 | 106 | 146.4 | -90.6 | 179.7 | 178.7 | -173 | 0 | 107.8 | | |
| 228 | E | 25.7 | Very low | 29.3 | Very low | 164 Ų | 164 | 154.6 Ų | 154.6 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | | | | 75.5 | 121.6 | 74.2 | -164.8 | 173.5 | -148.8 | 0 | 0 | 113.3 | | |
| 229 | E | 27 | Very low | 29.2 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 65% | 0.65 | 82% | 0.819 | S | S | * | * | | | trans | 55.2 | 117.9 | 160.1 | -72.6 | -164.8 | 138.7 | 0 | 0 | 121.1 | K231 | E229-K231 IonicContact OE1-NZ 2.8Å; E229-K231 PolarHBondContact OE1-NZ 3.23Å |
| 230 | E | 32.8 | Very low | 29.4 | Very low | 175 Ų | 175 | 155.1 Ų | 155.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | | -151.1 | 112 | 116.2 | -118.9 | -173.9 | -172.7 | 0 | 0 | 111.1 | | |
| 231 | K | 27.2 | Very low | 29.1 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 73% | 0.73 | 83% | 0.827 | S | S | * | * | | | trans | -60.5 | 131.3 | 164.3 | -73.9 | 162 | 176.3 | 142.9 | 0 | 109.1 | E229 | E229-K231 IonicContact OE1-NZ 2.8Å; E229-K231 PolarHBondContact OE1-NZ 3.23Å |
| 232 | K | 33.3 | Very low | 29.3 | Very low | 191 Ų | 191 | 152.4 Ų | 152.4 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | | | trans | -123.6 | 120.3 | 151.6 | -80 | -174.6 | 178.8 | 170.3 | 0 | 110 | | |
| 233 | E | 31 | Very low | 29.7 | Very low | 177 Ų | 177 | 158 Ų | 158 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | | | trans | -66.3 | 146.9 | -170.3 | -61.8 | 171.8 | 147 | 0 | 0 | 112.9 | R235 | E233-R235 PolarHBondContact O-N 3.23Š|
| 234 | P | 33.1 | Very low | 30 | Very low | 129 Ų | 129 | 159 Ų | 159 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | | | trans | -78 | 115.1 | 171 | 5.5 | 10.8 | 0 | 0 | 0 | 110 | | |
| 235 | R | 33.7 | Very low | 30.7 | Very low | 250 Ų | 250 | 159 Ų | 159 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | | | trans | -56.9 | 135.1 | 173.5 | -111.3 | 177 | 174.1 | 172 | -1.5 | 112 | E233 | E233-R235 PolarHBondContact O-N 3.23Š|
| 236 | E | 31.7 | Very low | 31.1 | Very low | 184 Ų | 184 | 163.4 Ų | 163.4 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -46.9 | 136.2 | -179 | -74 | 169.8 | 124.9 | 0 | 0 | 115.6 | R238 | E236-R238 PolarHBondContact O-N 3.11Š|
| 237 | K | 35.8 | Very low | 31.5 | Very low | 205 Ų | 205 | 166 Ų | 166 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | | | trans | -78.3 | 112.5 | 158.2 | -72.9 | 179.3 | 178.6 | 176.9 | 0 | 108.4 | S239 | K237-S239 PolarHBondContact O-N 3.06Š|
| 238 | R | 34.9 | Very low | 31.9 | Very low | 245 Ų | 245 | 167.9 Ų | 167.9 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | | | trans | -55.9 | 122 | 166.8 | -74.4 | 178.4 | 173.1 | 158.9 | -3.3 | 110.2 | E236 | E236-R238 PolarHBondContact O-N 3.11Š|
| 239 | S | 28.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 163.7 Ų | 163.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -78.6 | 113.3 | 163.6 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | K237 | K237-S239 PolarHBondContact O-N 3.06Š|
| 240 | C | 33.1 | Very low | 32.8 | Very low | 130 Ų | 130 | 161.8 Ų | 161.8 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | | | trans | -122.2 | 121.5 | 147.2 | -75.2 | 0 | 0 | 0 | 0 | 103.7 | | |
| 241 | G | 27.6 | Very low | 32.8 | Very low | 71 Ų | 71 | 155.6 Ų | 155.6 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | cis | 109.1 | 93 | 49.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 242 | E | 30.9 | Very low | 33.2 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 42.4 | 128.3 | 155.3 | -63 | -176.7 | 149.3 | 0 | 0 | 121.4 | | |
| 243 | K | 32.1 | Very low | 33.6 | Very low | 195 Ų | 195 | 149 Ų | 149 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | 70.2 | 72.9 | 164.9 | -62.1 | 177.5 | -178 | 173.3 | 0 | 116.9 | | |
| 244 | C | 28.8 | Very low | 33.7 | Very low | 103 Ų | 103 | 147 Ų | 147 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | | | trans | -153.6 | 75.2 | 149.6 | -91.4 | 0 | 0 | 0 | 0 | 108.9 | H246 | C244-H246 PolarHBondContact O-N 3.1Š|
| 245 | D | 34.5 | Very low | 33.9 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 131.3 | 165.6 | -63.8 | -50.7 | 0 | 0 | 0 | 108.8 | | |
| 246 | H | 35.7 | Very low | 34.2 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.7 | 12.7 | 168.7 | -50.2 | 87 | 0 | 0 | 0 | 120.6 | C244 R248 | C244-H246 PolarHBondContact O-N 3.1Å; H246-R248 PolarHBondContact O-N 3.43Å |
| 247 | L | 35 | Very low | 34.5 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -89.8 | 78.7 | 165.1 | -66.7 | 178.1 | 0 | 0 | 0 | 111.7 | G249 | L247-G249 PolarHBondContact O-N 3.21Š|
| 248 | R | 37.7 | Very low | 34.6 | Very low | 235 Ų | 235 | 138 Ų | 138 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | | | trans | -67 | 89.1 | 155.7 | -83.5 | -175.5 | -177.4 | -170.7 | 1.8 | 107.7 | H246 V250 | H246-R248 PolarHBondContact O-N 3.43Å; R248-V250 PolarHBondContact O-N 3.06Å |
| 249 | G | 33.8 | Very low | 34.4 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | | | trans | -58.2 | 108.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L247 | L247-G249 PolarHBondContact O-N 3.21Š|
| 250 | V | 37.3 | Very low | 35.2 | Very low | 98 Ų | 98 | 131 Ų | 131 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 137.7 | 168 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | R248 Y254 | R248-V250 PolarHBondContact O-N 3.06Å; V250-Y254 HydrophobicContact CG1-CD2 3.88Å; V250-Y254 HydrophobicContact CG1-CE2 4.22Å |
| 251 | G | 33 | Very low | 35.8 | Very low | 45 Ų | 45 | 136 Ų | 136 | 46% | 0.464 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 172 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | G253 | G251-G253 PolarHBondContact O-N 3.36Š|
| 252 | P | 34.7 | Very low | 36.8 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 96% | 0.955 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 122.3 | -171.1 | 26.5 | -33.3 | 0 | 0 | 0 | 110.2 | | |
| 253 | G | 41.5 | Very low | 37.4 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.4 | -5.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G251 | G251-G253 PolarHBondContact O-N 3.36Š|
| 254 | Y | 33.1 | Very low | 37.9 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 53% | 0.533 | 70% | 0.699 | S | S | . | * | | | trans | -116.5 | 100.7 | 174.6 | -66.3 | -82.1 | 0 | 0 | 0 | 110.9 | V250 K256 | V250-Y254 HydrophobicContact CG1-CD2 3.88Å; V250-Y254 HydrophobicContact CG1-CE2 4.22Å; Y254-K256 PolarHBondContact O-N 3.48Å |
| 255 | E | 39.2 | Very low | 38.2 | Very low | 186 Ų | 186 | 130.9 Ų | 130.9 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -77.3 | 107.1 | 166.4 | -133.2 | 176.9 | -178.5 | 0 | 0 | 107.9 | | |
| 256 | K | 38.4 | Very low | 38.7 | Very low | 164 Ų | 164 | 132 Ų | 132 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 59.4 | 81.5 | 169.4 | -60.6 | 174.4 | -177.8 | 173.8 | 0 | 115.5 | Y254 Y258 | Y254-K256 PolarHBondContact O-N 3.48Å; K256-Y258 HydrophobicContact CB-CE1 4.26Å |
| 257 | S | 38.2 | Very low | 39.1 | Very low | 53 Ų | 53 | 125.4 Ų | 125.4 | 37% | 0.371 | 67% | 0.673 | S | S | . | * | | | trans | -124.1 | 117.4 | 157.9 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 258 | Y | 38.4 | Very low | 39.3 | Very low | 174 Ų | 174 | 121.6 Ų | 121.6 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 142.9 | 174.8 | -17.5 | -81.7 | 0 | 0 | 0 | 109.2 | K256 | K256-Y258 HydrophobicContact CB-CE1 4.26Š|
| 259 | L | 31.3 | Very low | 39.1 | Very low | 132 Ų | 132 | 115.1 Ų | 115.1 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 116.2 | 169.9 | -86.9 | 158.8 | 0 | 0 | 0 | 108.1 | | |
| 260 | D | 45.5 | Very low | 39.3 | Very low | 82 Ų | 82 | 120.6 Ų | 120.6 | 44% | 0.439 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 145.8 | 170.2 | -72.4 | -18.3 | 0 | 0 | 0 | 109.8 | A262 G263 | D260-A262 PolarHBondContact O-N 3.46Å; D260-G263 PolarHBondContact O-N 3.42Å |
| 261 | Y | 44.8 | Very low | 39.3 | Very low | 235 Ų | 235 | 125.7 Ų | 125.7 | 92% | 0.922 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | -20.8 | -178 | -110.2 | -90.9 | 0 | 0 | 0 | 114.9 | | |
| 262 | A | 49.1 | Very low | 39.4 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 69% | 0.686 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 8.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D260 K264 | D260-A262 PolarHBondContact O-N 3.46Å; A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 2.97Å |
| 263 | G | 44.2 | Very low | 39.3 | Very low | 62 Ų | 62 | 132.3 Ų | 132.3 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | | | trans | 70.5 | 15.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D260 | D260-G263 PolarHBondContact O-N 3.42Š|
| 264 | K | 41.2 | Very low | 38.8 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 66% | 0.661 | 68% | 0.675 | S | S | * | * | | | trans | -90.1 | 112 | 178.4 | -66 | -171.9 | -178.9 | -177.8 | 0 | 110.6 | A262 K266 | A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 2.97Å; K264-K266 PolarHBondContact O-N 3.43Å |
| 265 | F | 35.9 | Very low | 39 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 66% | 0.662 | 69% | 0.689 | S | S | * | * | | | trans | -68.1 | 108.5 | 177.5 | -175.5 | -96.2 | 0 | 0 | 0 | 111.1 | | |
| 266 | K | 44.8 | Very low | 38.4 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 73% | 0.726 | 69% | 0.685 | S | S | * | * | | | trans | -107.7 | 59.9 | 168.8 | -72.7 | -178.6 | 178.8 | 168.3 | 0 | 110.2 | K264 | K264-K266 PolarHBondContact O-N 3.43Š|
| 267 | G | 44.4 | Very low | 38 | Very low | 27 Ų | 27 | 134.7 Ų | 134.7 | 28% | 0.278 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -94.7 | 120.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 268 | G | 38.7 | Very low | 37.6 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 157 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R270 | G268-R270 PolarHBondContact O-N 3.43Š|
| 269 | A | 34.5 | Very low | 37.4 | Very low | 98 Ų | 98 | 141 Ų | 141 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 128.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K271 | A269-K271 PolarHBondContact O-N 3.21Å; A269-K271 VanDerWaalsContact O-N 3.14Å |
| 270 | R | 37.4 | Very low | 37.3 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 73% | 0.725 | 71% | 0.713 | S | S | * | * | | | trans | -55.7 | 114.6 | 170.5 | -79.4 | 178.9 | 167.1 | -171.7 | -5.3 | 109.5 | G268 F272 | G268-R270 PolarHBondContact O-N 3.43Å; R270-F272 PolarHBondContact O-N 3.05Å |
| 271 | K | 37.1 | Very low | 36.6 | Very low | 205 Ų | 205 | 141 Ų | 141 | 89% | 0.891 | 73% | 0.728 | S | S | * | * | | | trans | -75.1 | 107.8 | 158 | -68.4 | -176.9 | -179.9 | 178.9 | 0 | 106.7 | A269 L273 | A269-K271 PolarHBondContact O-N 3.21Å; A269-K271 VanDerWaalsContact O-N 3.14Å; K271-L273 PolarHBondContact O-N 2.76Å |
| 272 | F | 35.3 | Very low | 36 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 120.9 | 166.8 | -71.7 | -90.4 | 0 | 0 | 0 | 107.2 | R270 P274 | R270-F272 PolarHBondContact O-N 3.05Å; F272-P274 WeakPolarHBondContact O-CD 3.29Å |
| 273 | L | 31.6 | Very low | 35 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 121.8 | 162.4 | -76.2 | 164.5 | 0 | 0 | 0 | 106.5 | K271 I275 | K271-L273 PolarHBondContact O-N 2.76Å; L273-I275 PolarHBondContact O-N 2.94Å; L273-I275 VanDerWaalsContact O-N 3.14Å |
| 274 | P | 31.3 | Very low | 34.4 | Very low | 81 Ų | 81 | 148 Ų | 148 | 53% | 0.526 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 120.8 | 177.8 | 20.1 | -28.5 | 0 | 0 | 0 | 108.9 | F272 Y276 | F272-P274 WeakPolarHBondContact O-CD 3.29Å; P274-Y276 VanDerWaalsContact C-N 3.32Å; P274-Y276 HydrophobicContact CB-CE2 4.25Å; P274-Y276 HydrophobicContact CG-CE2 3.79Å; P274-Y276 WeakPolarHBondContact O-CD2 3.37Å; P274-Y276 PolarHBondContact O-N 3.18Å |
| 275 | I | 37.6 | Very low | 33.7 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | | | trans | -73.7 | 95.6 | 169.6 | -57.9 | 172.3 | 0 | 0 | 0 | 105.1 | L273 Q277 | L273-I275 PolarHBondContact O-N 2.94Å; L273-I275 VanDerWaalsContact O-N 3.14Å; I275-Q277 PolarHBondContact O-N 3.08Å; I275-Q277 VanDerWaalsContact O-N 3.08Å |
| 276 | Y | 27.6 | Very low | 33.7 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -64 | 108.7 | 167.5 | -65.7 | -83 | 0 | 0 | 0 | 107.3 | P274 K278 | P274-Y276 VanDerWaalsContact C-N 3.32Å; P274-Y276 HydrophobicContact CB-CE2 4.25Å; P274-Y276 HydrophobicContact CG-CE2 3.79Å; P274-Y276 WeakPolarHBondContact O-CD2 3.37Å; P274-Y276 PolarHBondContact O-N 3.18Å; Y276-K278 PolarHBondContact O-N 3.1Å; Y276-K278 VanDerWaalsContact O-N 3.12Å |
| 277 | Q | 30.4 | Very low | 32.8 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -63.2 | 111.5 | 162.4 | -84.9 | -179.5 | -28.5 | 0 | 0 | 106.8 | I275 E279 | I275-Q277 PolarHBondContact O-N 3.08Å; I275-Q277 VanDerWaalsContact O-N 3.08Å; Q277-E279 VanDerWaalsContact C-N 3.34Å; Q277-E279 PolarHBondContact O-N 3.09Å; Q277-E279 VanDerWaalsContact O-N 3.1Å |
| 278 | K | 28.8 | Very low | 32 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -77.1 | 91 | 173.2 | -161 | 179.8 | -175.4 | -172.4 | 0 | 106.5 | Y276 V280 | Y276-K278 PolarHBondContact O-N 3.1Å; Y276-K278 VanDerWaalsContact O-N 3.12Å; K278-V280 PolarHBondContact O-N 3.28Å |
| 279 | E | 33.3 | Very low | 31.4 | Very low | 166 Ų | 166 | 156.6 Ų | 156.6 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -68.1 | 107.9 | 165.6 | -70 | -174.6 | 169.1 | 0 | 0 | 107.3 | Q277 S281 | Q277-E279 VanDerWaalsContact C-N 3.34Å; Q277-E279 PolarHBondContact O-N 3.09Å; Q277-E279 VanDerWaalsContact O-N 3.1Å; E279-S281 VanDerWaalsContact C-N 3.3Å; E279-S281 PolarHBondContact O-N 3.14Å |
| 280 | V | 31 | Very low | 30.9 | Very low | 105 Ų | 105 | 155.6 Ų | 155.6 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | trans | -81.8 | 86 | 168.6 | -177.7 | 0 | 0 | 0 | 0 | 105.9 | K278 E282 | K278-V280 PolarHBondContact O-N 3.28Å; V280-E282 HydrophobicContact CG1-CG 3.87Å; V280-E282 PolarHBondContact O-N 3Å |
| 281 | S | 28.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -87.2 | 92.3 | 162.6 | 60.7 | 0 | 0 | 0 | 0 | 107.5 | E279 E283 | E279-S281 VanDerWaalsContact C-N 3.3Å; E279-S281 PolarHBondContact O-N 3.14Å; S281-E283 PolarHBondContact O-N 3.26Å |
| 282 | E | 32.4 | Very low | 29.4 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | | | trans | -81.6 | 108.9 | 166.5 | -80.6 | 174.6 | -176.3 | 0 | 0 | 109.3 | V280 | V280-E282 HydrophobicContact CG1-CG 3.87Å; V280-E282 PolarHBondContact O-N 3Å |
| 283 | E | 28.1 | Very low | 29 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | 72.8 | 84.7 | 134.6 | -55.8 | -177.4 | 178.4 | 0 | 0 | 118.1 | S281 | S281-E283 PolarHBondContact O-N 3.26Š|
| 284 | K | 32.5 | Very low | 28.8 | Very low | 205 Ų | 205 | 139.8 Ų | 139.8 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -115.1 | 103.8 | 136.2 | -85.6 | -174.7 | 176.9 | -178.4 | 0 | 109.2 | V286 | K284-V286 PolarHBondContact O-N 2.88Š|
| 285 | E | 25.7 | Very low | 28.6 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -51.8 | 117.4 | 162.9 | -66.1 | -178.6 | 138 | 0 | 0 | 109.7 | | |
| 286 | V | 35.6 | Very low | 28.1 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | | | trans | -131.1 | 98.5 | 150.6 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | K284 V288 | K284-V286 PolarHBondContact O-N 2.88Å; V286-V288 PolarHBondContact O-N 2.89Å |
| 287 | V | 27.6 | Very low | 28 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 72% | 0.715 | 81% | 0.809 | S | S | * | * | | | trans | -56.3 | 119.1 | 167.1 | 165.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 288 | V | 27 | Very low | 28 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | | | trans | 49.9 | 119 | 134 | -157.3 | 0 | 0 | 0 | 0 | 118.6 | V286 | V286-V288 PolarHBondContact O-N 2.89Š|
| 289 | K | 25.6 | Very low | 27.8 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | | 151.4 | 124.3 | 114.1 | -83.1 | -172.4 | 179.9 | 174.1 | 0 | 111 | | |
| 290 | G | 23.5 | Very low | 27.7 | Very low | 78 Ų | 78 | 147.9 Ų | 147.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 128.6 | 112.9 | 139.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 291 | G | 24 | Very low | 27.7 | Very low | 74 Ų | 74 | 151.8 Ų | 151.8 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | trans | 80.4 | 111.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 292 | C | 20.1 | Very low | 27.8 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 99% | 0.993 | 82% | 0.824 | S | S | * | * | | | cis | 59.4 | 97.6 | 38.4 | -136.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 293 | G | 26.9 | Very low | 27.8 | Very low | 72 Ų | 72 | 156.6 Ų | 156.6 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | | | trans | 145.1 | 79.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 294 | A | 26 | Very low | 27.9 | Very low | 101 Ų | 101 | 155.6 Ų | 155.6 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | | | | 57.1 | 98.2 | 87.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 295 | K | 28.8 | Very low | 28 | Very low | 204 Ų | 204 | 155.6 Ų | 155.6 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | -171.4 | 83.9 | 144.9 | -106.8 | 177.7 | -178.1 | -174 | 0 | 108.9 | | |
| 296 | E | 26.1 | Very low | 28.3 | Very low | 203 Ų | 203 | 157.3 Ų | 157.3 | 95% | 0.949 | 83% | 0.827 | S | S | * | * | | | trans | -97.8 | 88.4 | 169.6 | -160.7 | 178.1 | -163.4 | 0 | 0 | 107 | | |
| 297 | E | 25.3 | Very low | 28 | Very low | 179 Ų | 179 | 156.9 Ų | 156.9 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | | | trans | -126.4 | 104.5 | 166.4 | -93.9 | -167.6 | 147.8 | 0 | 0 | 107.3 | | |
| 298 | E | 29.9 | Very low | 28.2 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | | | | -172.4 | 109 | 123.1 | -112.2 | -166.9 | 135.4 | 0 | 0 | 110 | K300 | E298-K300 IonicContact OE1-NZ 2.75Š|
| 299 | K | 25 | Very low | 28.1 | Very low | 198 Ų | 198 | 155.3 Ų | 155.3 | 86% | 0.861 | 84% | 0.84 | S | S | * | * | | | trans | -55.1 | 135.6 | 151.8 | -78.6 | 173.9 | 168.9 | 177.2 | 0 | 109.4 | | |
| 300 | K | 32.2 | Very low | 28.1 | Very low | 191 Ų | 191 | 149.2 Ų | 149.2 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | | | trans | -159.5 | 115.2 | 130.9 | -104.6 | 156 | -165.8 | 162.5 | 0 | 111.3 | E298 | E298-K300 IonicContact OE1-NZ 2.75Š|
| 301 | E | 31.1 | Very low | 28.3 | Very low | 187 Ų | 187 | 155.2 Ų | 155.2 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | | | trans | -62.7 | 163.9 | 177.3 | -88.6 | 175.4 | 164.2 | 0 | 0 | 114.6 | | |
| 302 | P | 31 | Very low | 28.8 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | | | trans | -81.7 | 133.6 | -159.3 | 31.5 | -32.9 | 0 | 0 | 0 | 112.5 | E304 | P302-E304 PolarHBondContact O-N 3.25Å; P302-E304 VanDerWaalsContact O-N 3.13Å |
| 303 | R | 31 | Very low | 29.3 | Very low | 243 Ų | 243 | 155.1 Ų | 155.1 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | | | trans | -74.4 | 105.6 | 176.3 | -149.7 | 173.4 | -173.8 | 173.8 | 1.8 | 109.7 | K305 | R303-K305 PolarHBondContact O-N 3.43Š|
| 304 | E | 30.4 | Very low | 29.8 | Very low | 148 Ų | 148 | 160 Ų | 160 | 69% | 0.692 | 84% | 0.836 | S | S | * | * | | | trans | -46.2 | 119 | 163.5 | -72.3 | -173.6 | 150.5 | 0 | 0 | 110.5 | P302 R306 | P302-E304 PolarHBondContact O-N 3.25Å; P302-E304 VanDerWaalsContact O-N 3.13Å; E304-R306 IonicContact OE2-NE 2.97Å; E304-R306 IonicContact OE2-NH2 3.3Å |
| 305 | K | 35.7 | Very low | 30.3 | Very low | 205 Ų | 205 | 162.7 Ų | 162.7 | 89% | 0.891 | 84% | 0.835 | S | S | * | * | | | trans | -105.6 | 97.1 | 153.1 | -82.6 | -174.2 | 177.5 | 179 | 0 | 107.4 | R303 C307 | R303-K305 PolarHBondContact O-N 3.43Å; K305-C307 PolarHBondContact O-N 3.44Å |
| 306 | R | 30.9 | Very low | 30.7 | Very low | 216 Ų | 216 | 164.3 Ų | 164.3 | 82% | 0.815 | 84% | 0.836 | S | S | * | * | | | trans | -53.7 | 130.2 | 171.3 | -70.5 | 178.9 | -177 | -178.7 | -2.3 | 110.3 | E304 S308 | E304-R306 IonicContact OE2-NE 2.97Å; E304-R306 IonicContact OE2-NH2 3.3Å; R306-S308 PolarHBondContact O-N 3.28Å |
| 307 | C | 29 | Very low | 31.2 | Very low | 131 Ų | 131 | 158.3 Ų | 158.3 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | | | trans | -70.4 | 106.3 | 160 | -63 | 0 | 0 | 0 | 0 | 108.7 | K305 | K305-C307 PolarHBondContact O-N 3.44Š|
| 308 | S | 32.4 | Very low | 31.9 | Very low | 118 Ų | 118 | 154.9 Ų | 154.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | -80.8 | 111.3 | 156.7 | 54.1 | 0 | 0 | 0 | 0 | 107.5 | R306 | R306-S308 PolarHBondContact O-N 3.28Š|
| 309 | G | 26 | Very low | 32.1 | Very low | 79 Ų | 79 | 149.1 Ų | 149.1 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | -66.3 | 166.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 310 | G | 24.8 | Very low | 32.5 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | 164.2 | 68.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 311 | K | 28.2 | Very low | 33.1 | Very low | 203 Ų | 203 | 141 Ų | 141 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | 60.7 | 113.1 | 152.7 | -66.5 | 177.1 | 177.8 | 177.3 | 0 | 118.9 | | |
| 312 | S | 33.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | 47.7 | 94.8 | 145.9 | 62 | 0 | 0 | 0 | 0 | 117.4 | | |
| 313 | C | 32.3 | Very low | 33.8 | Very low | 110 Ų | 110 | 141 Ų | 141 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | -162.7 | 123.7 | 143.6 | -91.5 | 0 | 0 | 0 | 0 | 108.3 | L315 | C313-L315 HydrophobicContact CB-CD1 4.47Å; C313-L315 HydrophobicContact CB-CG 4.26Å; C313-L315 PolarHBondContact O-N 2.92Å |
| 314 | D | 37.2 | Very low | 34.1 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | -64.4 | 60.3 | 177.2 | -66.7 | -62.7 | 0 | 0 | 0 | 113.3 | R316 | D314-R316 PolarHBondContact O-N 3.23Š|
| 315 | L | 35.7 | Very low | 34.7 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | -82.1 | 85.2 | 177.3 | -68.9 | 172.1 | 0 | 0 | 0 | 109.7 | C313 G317 | C313-L315 HydrophobicContact CB-CD1 4.47Å; C313-L315 HydrophobicContact CB-CG 4.26Å; C313-L315 PolarHBondContact O-N 2.92Å; L315-G317 PolarHBondContact O-N 3.32Å |
| 316 | R | 37.7 | Very low | 35 | Very low | 239 Ų | 239 | 130.2 Ų | 130.2 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | | | trans | -65.4 | 88.8 | 157.2 | -69.9 | -176.4 | -166.7 | -168.8 | 2.4 | 108 | D314 V318 | D314-R316 PolarHBondContact O-N 3.23Å; R316-V318 PolarHBondContact O-N 3.27Å; R316-V318 VanDerWaalsContact O-N 3.12Å |
| 317 | G | 35.9 | Very low | 35.2 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | | | trans | -56 | 114.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L315 | L315-G317 PolarHBondContact O-N 3.32Š|
| 318 | V | 39.7 | Very low | 36 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 66% | 0.655 | 71% | 0.71 | S | S | * | * | | | trans | -79.5 | 137.1 | 170.4 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | R316 | R316-V318 PolarHBondContact O-N 3.27Å; R316-V318 VanDerWaalsContact O-N 3.12Å |
| 319 | G | 33.8 | Very low | 36.6 | Very low | 45 Ų | 45 | 127.8 Ų | 127.8 | 46% | 0.464 | 72% | 0.717 | S | S | . | * | | | trans | -56.4 | 176.2 | -160.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | G321 | G319-G321 PolarHBondContact O-N 2.96Š|
| 320 | P | 34.8 | Very low | 38.2 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 96% | 0.955 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 121.5 | -169.6 | 26.8 | -33.5 | 0 | 0 | 0 | 110.6 | | |
| 321 | G | 43.3 | Very low | 39.3 | Very low | 72 Ų | 72 | 129.9 Ų | 129.9 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.3 | -10.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G319 | G319-G321 PolarHBondContact O-N 2.96Š|
| 322 | Y | 36 | Very low | 40.1 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 49% | 0.486 | 69% | 0.691 | S | S | . | * | | | trans | -117.1 | 106.5 | 173.9 | -62 | -85.1 | 0 | 0 | 0 | 109.9 | K324 | Y322-K324 PolarHBondContact O-N 2.75Å; Y322-K324 VanDerWaalsContact O-N 3.08Å |
| 323 | E | 41 | Very low | 40.4 | Very low | 184 Ų | 184 | 127.2 Ų | 127.2 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -74.7 | 99.2 | 165.9 | -155.6 | 174.1 | -166.5 | 0 | 0 | 107.1 | | |
| 324 | K | 38.8 | Very low | 41 | Very low | 185 Ų | 185 | 128.1 Ų | 128.1 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 60.3 | 75.8 | 174.1 | -57.6 | 174.4 | -178 | 175.4 | 0 | 114.9 | Y322 | Y322-K324 PolarHBondContact O-N 2.75Å; Y322-K324 VanDerWaalsContact O-N 3.08Å |
| 325 | S | 42.6 | Very low | 41.5 | Very low | 39 Ų | 39 | 120.9 Ų | 120.9 | 27% | 0.273 | 64% | 0.639 | S | S | . | * | | | trans | -109 | 118.4 | 157.7 | 60.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 326 | Y | 41.4 | Very low | 41.7 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 57% | 0.569 | 64% | 0.635 | S | S | * | * | | | trans | -104.1 | 148.7 | 169.3 | 52.3 | -88 | 0 | 0 | 0 | 109.8 | D328 | Y326-D328 VanDerWaalsContact CD2-OD1 3.29Å; Y326-D328 WeakPolarHBondContact CD2-OD1 3.4Å; Y326-D328 WeakPolarHBondContact CE2-OD1 3.43Å |
| 327 | L | 34.5 | Very low | 41.6 | Very low | 124 Ų | 124 | 110 Ų | 110 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | B | Isolated β-bridge | trans | -91.2 | 120.2 | 169.6 | -85.4 | 155.1 | 0 | 0 | 0 | 107.2 | | |
| 328 | D | 47 | Very low | 41.9 | Very low | 44 Ų | 44 | 116.1 Ų | 116.1 | 24% | 0.235 | 63% | 0.63 | C | S | . | * | | | trans | -67.8 | 153.7 | 170.1 | -70.9 | -19 | 0 | 0 | 0 | 109.6 | Y326 D330 G331 K334 | Y326-D328 VanDerWaalsContact CD2-OD1 3.29Å; Y326-D328 WeakPolarHBondContact CD2-OD1 3.4Å; Y326-D328 WeakPolarHBondContact CE2-OD1 3.43Å; D328-D330 PolarHBondContact O-N 3.43Å; D328-G331 PolarHBondContact O-N 2.94Å; D328-K334 WeakPolarHBondContact OD2-CD 3.42Å; D328-K334 WeakPolarHBondContact OD2-CE 3.45Å; D328-K334 IonicContact OD2-NZ 3.93Å; D328-K334 PolarHBondContact OD2-NZ 3.19Å |
| 329 | Y | 44.4 | Very low | 41.7 | Very low | 246 Ų | 246 | 120.4 Ų | 120.4 | 97% | 0.965 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -24.4 | -178.8 | -76.8 | -83.4 | 0 | 0 | 0 | 114 | G331 | Y329-G331 VanDerWaalsContact C-N 3.26Å; Y329-G331 PolarHBondContact O-N 3.48Å |
| 330 | D | 58.6 | Low | 41.8 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 4.2 | 175.7 | -61 | -40.3 | 0 | 0 | 0 | 113.8 | D328 H332 | D328-D330 PolarHBondContact O-N 3.43Å; D330-H332 VanDerWaalsContact C-N 3.32Å; D330-H332 PolarHBondContact O-N 3.44Å |
| 331 | G | 47.8 | Very low | 41.6 | Very low | 54 Ų | 54 | 127.1 Ų | 127.1 | 56% | 0.557 | 65% | 0.648 | S | S | * | * | | | trans | 74.2 | 18.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D328 Y329 | D328-G331 PolarHBondContact O-N 2.94Å; Y329-G331 VanDerWaalsContact C-N 3.26Å; Y329-G331 PolarHBondContact O-N 3.48Å |
| 332 | H | 45.6 | Very low | 41.1 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 60% | 0.597 | 64% | 0.637 | S | S | * | * | | | trans | -88.6 | 122.4 | 175.8 | -70.2 | -11.4 | 0 | 0 | 0 | 111.2 | D330 K334 | D330-H332 VanDerWaalsContact C-N 3.32Å; D330-H332 PolarHBondContact O-N 3.44Å; H332-K334 PolarHBondContact O-N 3.42Å |
| 333 | F | 39.6 | Very low | 41.4 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 56% | 0.561 | 65% | 0.654 | S | S | * | * | B | Isolated β-bridge | trans | -75.4 | 106 | 176.9 | -177.3 | -95.5 | 0 | 0 | 0 | 110 | | |
| 334 | K | 45.8 | Very low | 40.9 | Very low | 130 Ų | 130 | 130 Ų | 130 | 57% | 0.565 | 65% | 0.65 | S | S | * | * | | | trans | -105.9 | 65.2 | 168.3 | -69.7 | -176 | -173.2 | 143.3 | 0 | 110 | D328 H332 | D328-K334 WeakPolarHBondContact OD2-CD 3.42Å; D328-K334 WeakPolarHBondContact OD2-CE 3.45Å; D328-K334 IonicContact OD2-NZ 3.93Å; D328-K334 PolarHBondContact OD2-NZ 3.19Å; H332-K334 PolarHBondContact O-N 3.42Å |
| 335 | G | 46.8 | Very low | 40.6 | Very low | 21 Ų | 21 | 130.5 Ų | 130.5 | 22% | 0.216 | 65% | 0.652 | C | S | . | * | | | trans | -104.9 | 123 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 336 | G | 40.5 | Very low | 40 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 68% | 0.681 | S | S | * | * | | | trans | -53.9 | 153.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | R338 | G336-R338 PolarHBondContact O-N 2.84Š|
| 337 | A | 36.7 | Very low | 39.5 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 80% | 0.802 | 69% | 0.694 | S | S | * | * | | | trans | -45 | 132 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K339 | A337-K339 PolarHBondContact O-N 3.04Š|
| 338 | R | 40.6 | Very low | 39.4 | Very low | 204 Ų | 204 | 139.5 Ų | 139.5 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | | | trans | -49.5 | 107.9 | 171.3 | -84 | 178.7 | 162.8 | -171.9 | -4.8 | 109.9 | G336 F340 | G336-R338 PolarHBondContact O-N 2.84Å; R338-F340 PolarHBondContact O-N 2.8Å |
| 339 | K | 36.8 | Very low | 38.6 | Very low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.857 | 72% | 0.721 | S | S | * | * | | | trans | -76.4 | 110.3 | 158.6 | -70.2 | -176.2 | -179.4 | 176.7 | 0 | 106.6 | A337 L341 | A337-K339 PolarHBondContact O-N 3.04Å; K339-L341 PolarHBondContact O-N 2.97Å; K339-L341 VanDerWaalsContact O-N 3.16Å |
| 340 | F | 35.3 | Very low | 38.2 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | | | trans | -61.1 | 115.7 | 166.9 | -79.8 | -93.4 | 0 | 0 | 0 | 107.3 | R338 | R338-F340 PolarHBondContact O-N 2.8Š|
| 341 | L | 31.3 | Very low | 36.8 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | | | trans | -64.4 | 125.5 | 165.5 | -76.2 | 166.2 | 0 | 0 | 0 | 107.1 | K339 I343 | K339-L341 PolarHBondContact O-N 2.97Å; K339-L341 VanDerWaalsContact O-N 3.16Å; L341-I343 PolarHBondContact O-N 2.83Å |
| 342 | P | 32.7 | Very low | 36.3 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 52% | 0.519 | 72% | 0.722 | S | S | . | * | | | trans | -58.8 | 124.7 | 179.6 | 20.7 | -29.6 | 0 | 0 | 0 | 109.5 | Y344 | P342-Y344 VanDerWaalsContact C-N 3.31Å; P342-Y344 HydrophobicContact CB-CE2 4.4Å; P342-Y344 HydrophobicContact CG-CE2 3.82Å; P342-Y344 WeakPolarHBondContact O-CD2 3.18Å; P342-Y344 PolarHBondContact O-N 2.87Å |
| 343 | I | 42.1 | Very low | 35.5 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | | | trans | -71.7 | 93.9 | 170 | -57.8 | 171.7 | 0 | 0 | 0 | 105.8 | L341 K345 | L341-I343 PolarHBondContact O-N 2.83Å; I343-K345 PolarHBondContact O-N 3.11Å; I343-K345 VanDerWaalsContact O-N 3.07Å |
| 344 | Y | 30.4 | Very low | 35.6 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | trans | -63.9 | 109.5 | 167.9 | -63.3 | -82.6 | 0 | 0 | 0 | 107.7 | P342 K346 | P342-Y344 VanDerWaalsContact C-N 3.31Å; P342-Y344 HydrophobicContact CB-CE2 4.4Å; P342-Y344 HydrophobicContact CG-CE2 3.82Å; P342-Y344 WeakPolarHBondContact O-CD2 3.18Å; P342-Y344 PolarHBondContact O-N 2.87Å; Y344-K346 PolarHBondContact O-N 2.85Å |
| 345 | K | 32.2 | Very low | 35.2 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | | | trans | -62.5 | 108 | 158.9 | -80.7 | -175.7 | 175.9 | -177.7 | 0 | 106 | I343 Q347 | I343-K345 PolarHBondContact O-N 3.11Å; I343-K345 VanDerWaalsContact O-N 3.07Å; K345-Q347 VanDerWaalsContact C-N 3.33Å; K345-Q347 PolarHBondContact O-N 3.43Å |
| 346 | K | 30.4 | Very low | 35.2 | Very low | 203 Ų | 203 | 147.8 Ų | 147.8 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | trans | -58.1 | 102.9 | 162.7 | -88.9 | -176.6 | 173.6 | -178.8 | 0 | 106.5 | Y344 S348 | Y344-K346 PolarHBondContact O-N 2.85Å; K346-S348 VanDerWaalsContact C-N 3.34Å; K346-S348 PolarHBondContact O-N 3Å; K346-S348 VanDerWaalsContact O-N 3.09Å |
| 347 | Q | 30 | Very low | 35.1 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -66.2 | 103.9 | 158 | -77.2 | -177.9 | -23.9 | 0 | 0 | 105.3 | K345 S349 | K345-Q347 VanDerWaalsContact C-N 3.33Å; K345-Q347 PolarHBondContact O-N 3.43Å; Q347-S349 PolarHBondContact O-N 2.88Å |
| 348 | S | 33.5 | Very low | 34.8 | Very low | 111 Ų | 111 | 152.2 Ų | 152.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -66.2 | 92.6 | 164 | 50.9 | 0 | 0 | 0 | 0 | 107.1 | K346 A350 | K346-S348 VanDerWaalsContact C-N 3.34Å; K346-S348 PolarHBondContact O-N 3Å; K346-S348 VanDerWaalsContact O-N 3.09Å; S348-A350 PolarHBondContact O-N 3.08Å |
| 349 | S | 30.7 | Very low | 34.7 | Very low | 97 Ų | 97 | 146 Ų | 146 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -66.9 | 83.3 | 157.4 | 50.8 | 0 | 0 | 0 | 0 | 107.2 | Q347 E351 | Q347-S349 PolarHBondContact O-N 2.88Å; S349-E351 PolarHBondContact O-N 3.34Å |
| 350 | A | 35 | Very low | 34.9 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | | | trans | -78.1 | 76.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | S348 K352 | S348-A350 PolarHBondContact O-N 3.08Å; A350-K352 PolarHBondContact O-N 3.44Å |
| 351 | E | 30.1 | Very low | 35.8 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | trans | -57.8 | 92.3 | 156.1 | -72.4 | 174.1 | 163.1 | 0 | 0 | 106.7 | S349 E353 | S349-E351 PolarHBondContact O-N 3.34Å; E351-E353 VanDerWaalsContact C-N 3.27Å; E351-E353 PolarHBondContact O-N 3.08Å |
| 352 | K | 36.2 | Very low | 36.6 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 81% | 0.809 | 73% | 0.733 | S | S | * | * | | | trans | -85 | 86.5 | 154.7 | -78.7 | -176.9 | 178.5 | 176.3 | 0 | 105.9 | A350 V354 | A350-K352 PolarHBondContact O-N 3.44Å; K352-V354 VanDerWaalsContact C-N 3.28Å; K352-V354 PolarHBondContact O-N 3.35Å |
| 353 | E | 30.1 | Very low | 37.8 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | trans | -54.5 | 99.7 | 153 | -86.6 | -171.3 | 143.9 | 0 | 0 | 107.5 | E351 V355 | E351-E353 VanDerWaalsContact C-N 3.27Å; E351-E353 PolarHBondContact O-N 3.08Å; E353-V355 VanDerWaalsContact C-N 3.25Å; E353-V355 HydrophobicContact CB-CG2 4.22Å; E353-V355 PolarHBondContact O-N 3.11Å |
| 354 | V | 40.1 | Very low | 38.7 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | | | trans | -82.3 | 86.8 | 158.8 | -174.5 | 0 | 0 | 0 | 0 | 105.6 | K352 I356 | K352-V354 VanDerWaalsContact C-N 3.28Å; K352-V354 PolarHBondContact O-N 3.35Å; V354-I356 VanDerWaalsContact C-N 3.26Å; V354-I356 HydrophobicContact CG1-CD1 4.36Å; V354-I356 HydrophobicContact CG1-CG1 3.72Å; V354-I356 PolarHBondContact O-N 3.16Å |
| 355 | V | 37.9 | Very low | 40.5 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | | | trans | -68 | 90.6 | 165.1 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | E353 K357 | E353-V355 VanDerWaalsContact C-N 3.25Å; E353-V355 HydrophobicContact CB-CG2 4.22Å; E353-V355 PolarHBondContact O-N 3.11Å; V355-K357 VanDerWaalsContact C-N 3.34Å; V355-K357 HydrophobicContact CG1-CG 4.08Å; V355-K357 PolarHBondContact O-N 3.15Å; V355-K357 VanDerWaalsContact O-N 3.11Å |
| 356 | I | 45.9 | Very low | 42.6 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | trans | -75.4 | 96.5 | 162.6 | -54.5 | -176.9 | 0 | 0 | 0 | 105.8 | V354 G358 | V354-I356 VanDerWaalsContact C-N 3.26Å; V354-I356 HydrophobicContact CG1-CD1 4.36Å; V354-I356 HydrophobicContact CG1-CG1 3.72Å; V354-I356 PolarHBondContact O-N 3.16Å; I356-G358 PolarHBondContact O-N 3.29Å; I356-G358 VanDerWaalsContact O-N 3.16Å |
| 357 | K | 39.2 | Very low | 43.8 | Very low | 185 Ų | 185 | 116.5 Ų | 116.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | | | trans | -58.6 | 117.1 | 164.5 | -70.7 | -175.9 | 177.7 | 179 | 0 | 107.5 | V355 G359 | V355-K357 VanDerWaalsContact C-N 3.34Å; V355-K357 HydrophobicContact CG1-CG 4.08Å; V355-K357 PolarHBondContact O-N 3.15Å; V355-K357 VanDerWaalsContact O-N 3.11Å; K357-G359 PolarHBondContact O-N 3.2Å |
| 358 | G | 31.2 | Very low | 44.9 | Very low | 77 Ų | 77 | 115 Ų | 115 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | | | trans | -57.4 | 122.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I356 | I356-G358 PolarHBondContact O-N 3.29Å; I356-G358 VanDerWaalsContact O-N 3.16Å |
| 359 | G | 36.8 | Very low | 46.2 | Very low | 73 Ų | 73 | 114.4 Ų | 114.4 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | | | trans | -105.6 | 102.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | K357 A361 | K357-G359 PolarHBondContact O-N 3.2Å; G359-A361 PolarHBondContact O-N 3.03Å; G359-A361 VanDerWaalsContact O-N 3.16Å |
| 360 | A | 42.7 | Very low | 47.4 | Very low | 58 Ų | 58 | 119.7 Ų | 119.7 | 48% | 0.479 | 70% | 0.699 | S | S | . | * | | | trans | -64 | 114 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | V369 | A360-V369 HydrophobicContact CB-CG1 3.4Å; A360-V369 VanDerWaalsContact CB-CG1 3.4Å |
| 361 | A | 53.6 | Low | 48 | Very low | 88 Ų | 88 | 121.5 Ų | 121.5 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 132.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | G359 | G359-A361 PolarHBondContact O-N 3.03Å; G359-A361 VanDerWaalsContact O-N 3.16Å |
| 362 | P | 47.9 | Very low | 48.9 | Very low | 81 Ų | 81 | 119 Ų | 119 | 53% | 0.526 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 138.8 | 179.8 | 25.7 | -32.7 | 0 | 0 | 0 | 110.8 | | |
| 363 | C | 58.7 | Low | 49.6 | Very low | 57 Ų | 57 | 115.3 Ų | 115.3 | 39% | 0.385 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 124.8 | 178.3 | -166.7 | 0 | 0 | 0 | 0 | 109.8 | K365 C366 G367 | C363-K365 PolarHBondContact O-N 2.86Å; C363-C366 PolarHBondContact O-N 3.03Å; C363-G367 PolarHBondContact O-N 3.16Å |
| 364 | P | 61.2 | Low | 50.8 | Low | 132 Ų | 132 | 112.2 Ų | 112.2 | 86% | 0.857 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -9.1 | -170.3 | 23.8 | -33.7 | 0 | 0 | 0 | 114.5 | | |
| 365 | K | 67.9 | Low | 51.5 | Low | 203 Ų | 203 | 111.9 Ų | 111.9 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -20.9 | 179 | -67.6 | -175.1 | 178.5 | 179.4 | 0 | 114.4 | C363 | C363-K365 PolarHBondContact O-N 2.86Š|
| 366 | C | 74.6 | Confident | 52.4 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 47% | 0.473 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137 | -5.1 | -174 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | C363 K368 | C363-C366 PolarHBondContact O-N 3.03Å; C366-K368 PolarHBondContact O-N 2.84Å |
| 367 | G | 55.8 | Low | 52.8 | Low | 62 Ų | 62 | 110.3 Ų | 110.3 | 64% | 0.639 | 68% | 0.681 | S | S | * | * | | | trans | 64 | 5.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | C363 | C363-G367 PolarHBondContact O-N 3.16Š|
| 368 | K | 54.1 | Low | 53.9 | Low | 152 Ų | 152 | 104.5 Ų | 104.5 | 66% | 0.661 | 67% | 0.672 | S | S | * | * | | | trans | -97.1 | 139.5 | 176.8 | -71.1 | -178.1 | -179.3 | -179.1 | 0 | 110.5 | C366 | C366-K368 PolarHBondContact O-N 2.84Š|
| 369 | V | 61.2 | Low | 55.8 | Low | 98 Ų | 98 | 106.8 Ų | 106.8 | 59% | 0.594 | 66% | 0.662 | S | S | * | * | | | trans | -83 | 119.5 | 172.7 | -173.4 | 0 | 0 | 0 | 0 | 106.6 | A360 | A360-V369 HydrophobicContact CB-CG1 3.4Å; A360-V369 VanDerWaalsContact CB-CG1 3.4Å |
| 370 | H | 54.7 | Low | 57.5 | Low | 208 Ų | 208 | 109.9 Ų | 109.9 | 96% | 0.963 | 65% | 0.653 | S | S | * | * | | | trans | -92.9 | 0 | -179.6 | -81.4 | -72.4 | 0 | 0 | 0 | 112 | | |