| 1 | M | 51.5 | Low | 47.7 | Very low | 244 Ų | 244 | 156.4 Ų | 156.4 | 100% | 1.202 | 81% | 0.814 | S | S | * | * | | | | 0 | 101.5 | 0 | -70.3 | -65 | 123.2 | 0 | 0 | 107.8 | | |
| 2 | S | 40.4 | Very low | 47.9 | Very low | 111 Ų | 111 | 152.4 Ų | 152.4 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -112.3 | 132.2 | 174.1 | 64.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 3 | V | 50 | Low | 48.3 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 76% | 0.758 | 81% | 0.805 | S | S | * | * | | | trans | -167 | 105.9 | 156.1 | -98.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 4 | H | 49.2 | Very low | 47.8 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 73% | 0.731 | 81% | 0.806 | S | S | * | * | | | | 87.1 | 103.7 | 103.9 | -76.2 | -38.5 | 0 | 0 | 0 | 112.7 | | |
| 5 | R | 44.6 | Very low | 47.8 | Very low | 221 Ų | 221 | 140.7 Ų | 140.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | | 65.3 | 102 | 94 | -100.4 | -170.1 | 161.1 | 128.9 | -1.2 | 112 | | |
| 6 | V | 51 | Low | 48 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -140.6 | 111.4 | 131.2 | -177.6 | 0 | 0 | 0 | 0 | 106.9 | L8 | V6-L8 HydrophobicContact CG1-CG 4.08Š|
| 7 | R | 46.4 | Very low | 47.9 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -93.4 | 112.1 | 169.3 | -178 | 178.9 | 171.7 | 127.6 | -5.2 | 105.1 | E9 | R7-E9 HydrophobicContact CG-CG 4.3Å; R7-E9 IonicContact CZ-OE1 3.73Å; R7-E9 IonicContact NE-OE1 3.49Å; R7-E9 PolarHBondContact NE-OE1 2.92Å; R7-E9 IonicContact NH2-OE1 3.21Å; R7-E9 PolarHBondContact NH2-OE1 2.96Å |
| 8 | L | 56.2 | Low | 47.9 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -103 | 110.1 | 167 | -79.8 | 173.2 | 0 | 0 | 0 | 107.5 | V6 | V6-L8 HydrophobicContact CG1-CG 4.08Š|
| 9 | E | 41.8 | Very low | 47.9 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 64% | 0.64 | 79% | 0.787 | S | S | * | * | | | trans | -84.9 | 114.1 | 166.7 | -69 | 170.6 | 153.7 | 0 | 0 | 106.9 | R7 | R7-E9 HydrophobicContact CG-CG 4.3Å; R7-E9 IonicContact CZ-OE1 3.73Å; R7-E9 IonicContact NE-OE1 3.49Å; R7-E9 PolarHBondContact NE-OE1 2.92Å; R7-E9 IonicContact NH2-OE1 3.21Å; R7-E9 PolarHBondContact NH2-OE1 2.96Å |
| 10 | S | 45.1 | Very low | 47.5 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -129.8 | 95.8 | 161.7 | -70 | 0 | 0 | 0 | 0 | 107.5 | | |
| 11 | S | 48.9 | Very low | 47.2 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -67.3 | 156.8 | 167.7 | -68.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 12 | S | 49.8 | Very low | 47 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | 73.1 | 110.8 | 151.7 | -162.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 13 | T | 52.6 | Low | 47.3 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | | -178.2 | 130.8 | 90.5 | -57.5 | 0 | 0 | 0 | 0 | 107.3 | S15 | T13-S15 PolarHBondContact O-N 3.38Š|
| 14 | G | 41.8 | Very low | 47.2 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | -57.2 | 125.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 15 | S | 47.7 | Very low | 46.9 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | | | trans | -134.8 | 99.6 | 167.4 | 176.6 | 0 | 0 | 0 | 0 | 107.5 | T13 F17 | T13-S15 PolarHBondContact O-N 3.38Å; S15-F17 WeakPolarHBondContact O-CD2 3.43Å; S15-F17 PolarHBondContact O-N 3.3Å; S15-F17 WeakPolarHBondContact OG-CE2 3.41Å |
| 16 | S | 50.7 | Low | 46.9 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -48.8 | 109.1 | 160.7 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 17 | F | 46.9 | Very low | 46.1 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | | | trans | -97.7 | 132.6 | 160.5 | -78 | -82.4 | 0 | 0 | 0 | 108.4 | S15 | S15-F17 WeakPolarHBondContact O-CD2 3.43Å; S15-F17 PolarHBondContact O-N 3.3Å; S15-F17 WeakPolarHBondContact OG-CE2 3.41Å |
| 18 | P | 47.9 | Very low | 45.5 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | trans | -72.9 | 155 | -170 | 32.1 | -33.6 | 0 | 0 | 0 | 109.9 | D20 | P18-D20 VanDerWaalsContact C-N 3.32Å; P18-D20 PolarHBondContact O-N 3.17Å |
| 19 | A | 47.3 | Very low | 44.2 | Very low | 98 Ų | 98 | 118.9 Ų | 118.9 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -54 | 101.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S21 | A19-S21 PolarHBondContact O-N 3.22Š|
| 20 | D | 40 | Very low | 43.5 | Very low | 143 Ų | 143 | 117.9 Ų | 117.9 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | | | trans | -68.4 | 94.4 | 168.4 | -170.5 | 12.7 | 0 | 0 | 0 | 106.1 | P18 A22 | P18-D20 VanDerWaalsContact C-N 3.32Å; P18-D20 PolarHBondContact O-N 3.17Å; D20-A22 PolarHBondContact O-N 3.2Å |
| 21 | S | 42.4 | Very low | 42.9 | Very low | 95 Ų | 95 | 117.5 Ų | 117.5 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | trans | -52.4 | 90.6 | 161.8 | 34.9 | 0 | 0 | 0 | 0 | 107.7 | A19 K23 | A19-S21 PolarHBondContact O-N 3.22Å; S21-K23 VanDerWaalsContact C-N 3.29Å; S21-K23 PolarHBondContact O-N 2.85Å |
| 22 | A | 46.5 | Very low | 42 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | -55.4 | 96.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | D20 | D20-A22 PolarHBondContact O-N 3.2Š|
| 23 | K | 46.7 | Very low | 41.2 | Very low | 184 Ų | 184 | 115.8 Ų | 115.8 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -52 | 125.9 | 168.5 | -71.8 | 166.7 | -178.2 | 166.6 | 0 | 106.2 | S21 V25 | S21-K23 VanDerWaalsContact C-N 3.29Å; S21-K23 PolarHBondContact O-N 2.85Å; K23-V25 PolarHBondContact O-N 2.89Å |
| 24 | P | 48.2 | Very low | 40.3 | Very low | 123 Ų | 123 | 115.2 Ų | 115.2 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -58 | 121.1 | -178.9 | 22.4 | -30.8 | 0 | 0 | 0 | 108.2 | | |
| 25 | V | 42.5 | Very low | 40.2 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 70% | 0.703 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 127.9 | 169.5 | 176 | 0 | 0 | 0 | 0 | 106.6 | K23 L27 | K23-V25 PolarHBondContact O-N 2.89Å; V25-L27 VanDerWaalsContact C-N 3.32Å; V25-L27 PolarHBondContact O-N 3.07Å |
| 26 | P | 43.9 | Very low | 39.5 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | | | trans | -63.8 | 99.1 | 176.5 | 24.6 | -30.7 | 0 | 0 | 0 | 108 | A28 | P26-A28 PolarHBondContact O-N 3.46Å; P26-A28 VanDerWaalsContact O-N 3.08Å |
| 27 | L | 34 | Very low | 38.6 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 80% | 0.801 | 71% | 0.714 | S | S | * | * | | | trans | -60.8 | 113 | 171.7 | -66.9 | 177 | 0 | 0 | 0 | 106.6 | V25 V29 | V25-L27 VanDerWaalsContact C-N 3.32Å; V25-L27 PolarHBondContact O-N 3.07Å; L27-V29 PolarHBondContact O-N 2.77Å |
| 28 | A | 33.8 | Very low | 38 | Very low | 88 Ų | 88 | 121 Ų | 121 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | | | trans | -57 | 105.6 | 170 | 0 | 0 | 0 | 0 | 0 | 107.6 | P26 V30 | P26-A28 PolarHBondContact O-N 3.46Å; P26-A28 VanDerWaalsContact O-N 3.08Å; A28-V30 PolarHBondContact O-N 3.24Å |
| 29 | V | 29.2 | Very low | 37.5 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | | | trans | -66.3 | 92.2 | 171.1 | 177.1 | 0 | 0 | 0 | 0 | 106.3 | L27 S31 | L27-V29 PolarHBondContact O-N 2.77Å; V29-S31 VanDerWaalsContact C-N 3.27Å; V29-S31 PolarHBondContact O-N 2.79Å |
| 30 | V | 26.6 | Very low | 37.2 | Very low | 116 Ų | 116 | 117.6 Ų | 117.6 | 70% | 0.703 | 67% | 0.669 | S | S | * | * | | | trans | -74.8 | 90.3 | 167.7 | -177.6 | 0 | 0 | 0 | 0 | 106.1 | A28 L32 | A28-V30 PolarHBondContact O-N 3.24Å; V30-L32 HydrophobicContact CG1-CB 4.37Å; V30-L32 PolarHBondContact O-N 3.31Å |
| 31 | S | 32.8 | Very low | 37.4 | Very low | 110 Ų | 110 | 114.5 Ų | 114.5 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | | | trans | -66.6 | 82.6 | 164 | -90.1 | 0 | 0 | 0 | 0 | 108.3 | V29 D33 | V29-S31 VanDerWaalsContact C-N 3.27Å; V29-S31 PolarHBondContact O-N 2.79Å; S31-D33 PolarHBondContact O-N 3.45Å |
| 32 | L | 30.6 | Very low | 37.3 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 60% | 0.597 | 65% | 0.651 | S | S | * | * | | | trans | -77.2 | 113.5 | 172.5 | -164.2 | 63.1 | 0 | 0 | 0 | 108.2 | V30 I34 L37 | V30-L32 HydrophobicContact CG1-CB 4.37Å; V30-L32 PolarHBondContact O-N 3.31Å; L32-I34 PolarHBondContact O-N 3.17Å; L32-L37 HydrophobicContact CD2-CD1 3.49Å; L32-L37 VanDerWaalsContact CD2-CD1 3.49Å; L32-L37 HydrophobicContact CG-CD1 3.98Å |
| 33 | D | 32.2 | Very low | 36.8 | Very low | 72 Ų | 72 | 114.7 Ų | 114.7 | 39% | 0.385 | 64% | 0.641 | S | S | . | * | | | trans | -71.5 | 94 | 179.9 | -161.1 | -3.8 | 0 | 0 | 0 | 109.8 | S31 R35 F36 | S31-D33 PolarHBondContact O-N 3.45Å; D33-R35 PolarHBondContact O-N 3.33Å; D33-R35 WeakPolarHBondContact OD1-CB 3.5Å; D33-R35 WeakPolarHBondContact OD1-CD 3.41Å; D33-R35 WeakPolarHBondContact OD1-CG 3.04Å; D33-R35 IonicContact OD1-CZ 3.62Å; D33-R35 IonicContact OD1-NE 3.92Å; D33-R35 PolarHBondContact OD1-NE 3.43Å; D33-R35 IonicContact OD1-NH2 2.71Å; D33-R35 IonicContact OD2-CZ 2.64Å; D33-R35 IonicContact OD2-NE 3.57Å; D33-R35 PolarHBondContact OD2-NE 3.44Å; D33-R35 IonicContact OD2-NH2 2.91Å; D33-R35 PolarHBondContact OD2-NH2 2.9Å; D33-F36 PolarHBondContact O-N 3.45Å |
| 34 | I | 35.3 | Very low | 36.5 | Very low | 110 Ų | 110 | 108.7 Ų | 108.7 | 56% | 0.564 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -2.6 | -178 | -56.5 | 173.4 | 0 | 0 | 0 | 111.9 | L32 F36 L37 | L32-I34 PolarHBondContact O-N 3.17Å; I34-F36 PolarHBondContact O-N 3.37Å; I34-F36 VanDerWaalsContact O-N 3.07Å; I34-L37 PolarHBondContact O-N 3.04Å |
| 35 | R | 40 | Very low | 36.3 | Very low | 207 Ų | 207 | 112.1 Ų | 112.1 | 78% | 0.781 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -19.3 | 171.5 | -68.7 | -173.1 | -75.4 | -175.4 | -2.6 | 113.8 | D33 | D33-R35 PolarHBondContact O-N 3.33Å; D33-R35 WeakPolarHBondContact OD1-CB 3.5Å; D33-R35 WeakPolarHBondContact OD1-CD 3.41Å; D33-R35 WeakPolarHBondContact OD1-CG 3.04Å; D33-R35 IonicContact OD1-CZ 3.62Å; D33-R35 IonicContact OD1-NE 3.92Å; D33-R35 PolarHBondContact OD1-NE 3.43Å; D33-R35 IonicContact OD1-NH2 2.71Å; D33-R35 IonicContact OD2-CZ 2.64Å; D33-R35 IonicContact OD2-NE 3.57Å; D33-R35 PolarHBondContact OD2-NE 3.44Å; D33-R35 IonicContact OD2-NH2 2.91Å; D33-R35 PolarHBondContact OD2-NH2 2.9Å |
| 36 | F | 32.2 | Very low | 36.2 | Very low | 183 Ų | 183 | 113 Ų | 113 | 80% | 0.803 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -16.3 | -178.7 | -83 | -86.9 | 0 | 0 | 0 | 116.3 | D33 I34 | D33-F36 PolarHBondContact O-N 3.45Å; I34-F36 PolarHBondContact O-N 3.37Å; I34-F36 VanDerWaalsContact O-N 3.07Å |
| 37 | L | 32 | Very low | 36.1 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -5.8 | -168.2 | -78.2 | 169.1 | 0 | 0 | 0 | 115.3 | L32 I34 S39 | L32-L37 HydrophobicContact CD2-CD1 3.49Å; L32-L37 VanDerWaalsContact CD2-CD1 3.49Å; L32-L37 HydrophobicContact CG-CD1 3.98Å; I34-L37 PolarHBondContact O-N 3.04Å; L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.35Å |
| 38 | V | 34.9 | Very low | 36.5 | Very low | 76 Ų | 76 | 112.7 Ų | 112.7 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | | | trans | -96.6 | 69.5 | 172.5 | -156.8 | 0 | 0 | 0 | 0 | 108.7 | V40 L43 | V38-V40 PolarHBondContact O-N 3.36Å; V38-L43 HydrophobicContact CG1-CD1 3.19Å; V38-L43 HydrophobicContact CG1-CD2 4.11Å; V38-L43 HydrophobicContact CG1-CG 3.35Å |
| 39 | S | 36.6 | Very low | 36.7 | Very low | 60 Ų | 60 | 112 Ų | 112 | 42% | 0.42 | 60% | 0.598 | S | S | . | * | | | trans | -57.1 | 114.6 | 165.6 | 68.4 | 0 | 0 | 0 | 0 | 107.3 | L37 P41 V42 | L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.35Å; S39-P41 WeakPolarHBondContact O-CD 3.41Å; S39-V42 PolarHBondContact O-N 3.25Å |
| 40 | V | 40.7 | Very low | 37.3 | Very low | 76 Ų | 76 | 109.6 Ų | 109.6 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -34.9 | -33.9 | 175.8 | -177.9 | 0 | 0 | 0 | 0 | 115 | V38 V42 S44 F280 | V38-V40 PolarHBondContact O-N 3.36Å; V40-V42 PolarHBondContact O-N 3.22Å; V40-S44 PolarHBondContact O-N 3.3Å; V40-S44 PolarHBondContact O-OG 3.21Å; V40-F280 HydrophobicContact CG1-CZ 4.23Å; V40-F280 HydrophobicContact CG2-CE1 4.4Å; V40-F280 HydrophobicContact CG2-CZ 4.48Å |
| 41 | P | 44.1 | Very low | 38.1 | Very low | 77 Ų | 77 | 113.2 Ų | 113.2 | 50% | 0.5 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.6 | -26.6 | 173.5 | 19.6 | -33.9 | 0 | 0 | 0 | 116.5 | S39 | S39-P41 WeakPolarHBondContact O-CD 3.41Å |
| 42 | V | 39.7 | Very low | 38.4 | Very low | 90 Ų | 90 | 113.1 Ų | 113.1 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -80 | -42.5 | -176.6 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | S39 V40 S44 R45 L46 | S39-V42 PolarHBondContact O-N 3.25Å; V40-V42 PolarHBondContact O-N 3.22Å; V42-S44 VanDerWaalsContact C-N 3.27Å; V42-S44 PolarHBondContact O-N 2.94Å; V42-R45 PolarHBondContact O-N 3.14Å; V42-L46 PolarHBondContact O-N 3.1Å |
| 43 | L | 37.6 | Very low | 38.7 | Very low | 98 Ų | 98 | 111.1 Ų | 111.1 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.6 | -35.6 | 173.3 | -78.1 | 178.5 | 0 | 0 | 0 | 112.4 | V38 R45 L46 F47 | V38-L43 HydrophobicContact CG1-CD1 3.19Å; V38-L43 HydrophobicContact CG1-CD2 4.11Å; V38-L43 HydrophobicContact CG1-CG 3.35Å; L43-R45 PolarHBondContact O-N 3.49Å; L43-L46 PolarHBondContact O-N 3.45Å; L43-F47 WeakPolarHBondContact O-CB 3.5Å; L43-F47 PolarHBondContact O-N 2.93Å |
| 44 | S | 40.4 | Very low | 38.9 | Very low | 57 Ų | 57 | 116.3 Ų | 116.3 | 40% | 0.399 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.8 | -27.4 | 179.4 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | V40 V42 N48 | V40-S44 PolarHBondContact O-N 3.3Å; V40-S44 PolarHBondContact O-OG 3.21Å; V42-S44 VanDerWaalsContact C-N 3.27Å; V42-S44 PolarHBondContact O-N 2.94Å; S44-N48 WeakPolarHBondContact O-CB 3.21Å; S44-N48 PolarHBondContact O-N 3.02Å; S44-N48 PolarHBondContact O-ND2 3.39Å |
| 45 | R | 42.4 | Very low | 38.7 | Very low | 195 Ų | 195 | 116.8 Ų | 116.8 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.2 | -40 | 173.6 | -64.6 | -174.5 | -159.3 | -154.4 | 6.2 | 111.5 | V42 L43 F47 N48 A49 | V42-R45 PolarHBondContact O-N 3.14Å; L43-R45 PolarHBondContact O-N 3.49Å; R45-F47 VanDerWaalsContact C-N 3.29Å; R45-F47 PolarHBondContact O-N 2.76Å; R45-N48 PolarHBondContact O-N 2.96Å; R45-A49 WeakPolarHBondContact O-CB 3.08Å; R45-A49 PolarHBondContact O-N 3.22Å |
| 46 | L | 40.8 | Very low | 38.3 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.4 | -40.6 | 175.3 | -136.8 | 86.4 | 0 | 0 | 0 | 111.7 | V42 L43 | V42-L46 PolarHBondContact O-N 3.1Å; L43-L46 PolarHBondContact O-N 3.45Å |
| 47 | F | 41.6 | Very low | 38.3 | Very low | 167 Ų | 167 | 114.7 Ų | 114.7 | 73% | 0.732 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.2 | -23.9 | -178.6 | -141.4 | -92.7 | 0 | 0 | 0 | 113.7 | L43 R45 | L43-F47 WeakPolarHBondContact O-CB 3.5Å; L43-F47 PolarHBondContact O-N 2.93Å; R45-F47 VanDerWaalsContact C-N 3.29Å; R45-F47 PolarHBondContact O-N 2.76Å |
| 48 | N | 42.1 | Very low | 38.4 | Very low | 102 Ų | 102 | 112.9 Ų | 112.9 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -85.5 | -29.8 | 173.7 | -85.2 | -50.6 | 0 | 0 | 0 | 113 | S44 R45 G50 R51 | S44-N48 WeakPolarHBondContact O-CB 3.21Å; S44-N48 PolarHBondContact O-N 3.02Å; S44-N48 PolarHBondContact O-ND2 3.39Å; R45-N48 PolarHBondContact O-N 2.96Å; N48-G50 VanDerWaalsContact C-N 3.28Å; N48-G50 PolarHBondContact O-N 3.01Å; N48-R51 PolarHBondContact O-N 3.11Å |
| 49 | A | 39.9 | Very low | 38.3 | Very low | 75 Ų | 75 | 117.8 Ų | 117.8 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -65.1 | -30.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R45 R51 | R45-A49 WeakPolarHBondContact O-CB 3.08Å; R45-A49 PolarHBondContact O-N 3.22Å; A49-R51 PolarHBondContact O-N 3.13Å |
| 50 | G | 41.2 | Very low | 37.9 | Very low | 75 Ų | 75 | 119 Ų | 119 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 5.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N48 | N48-G50 VanDerWaalsContact C-N 3.28Å; N48-G50 PolarHBondContact O-N 3.01Å |
| 51 | R | 44 | Very low | 37.6 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 3.3 | -169.5 | -140.9 | 173.5 | 171 | 167.1 | -3.4 | 114.6 | N48 A49 G53 | N48-R51 PolarHBondContact O-N 3.11Å; A49-R51 PolarHBondContact O-N 3.13Å; R51-G53 PolarHBondContact O-N 3.08Å |
| 52 | S | 38.9 | Very low | 37 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 6.6 | -170.1 | -38.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 53 | G | 36.8 | Very low | 36.4 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 0.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | R51 | R51-G53 PolarHBondContact O-N 3.08Š|
| 54 | L | 35.7 | Very low | 35.9 | Very low | 181 Ų | 181 | 129.2 Ų | 129.2 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | | | trans | -133.5 | 78.2 | -173.7 | -73.9 | 164.5 | 0 | 0 | 0 | 110.6 | | |
| 55 | S | 31.6 | Very low | 35.3 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -106.2 | 138.6 | 164.4 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 56 | R | 30.8 | Very low | 34.7 | Very low | 244 Ų | 244 | 128.8 Ų | 128.8 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | | | trans | 103.7 | 78.5 | 160.4 | -151 | 175.7 | -167.3 | 171.4 | 2.2 | 117.6 | | |
| 57 | A | 33.5 | Very low | 34 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | 171.3 | 112.8 | 136.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 58 | G | 32.4 | Very low | 33.5 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | | 106.8 | 119.2 | 72.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 59 | Q | 33.3 | Very low | 32.9 | Very low | 178 Ų | 178 | 132 Ų | 132 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | 71.7 | 106.8 | 165.2 | -77.1 | 164.4 | -84.9 | 0 | 0 | 119.6 | | |
| 60 | A | 27.6 | Very low | 32.4 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | | | trans | -46.8 | 133.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 61 | H | 35.2 | Very low | 31.9 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | -164.7 | 123.7 | 140.5 | -79.6 | -60 | 0 | 0 | 0 | 108.4 | | |
| 62 | T | 31.2 | Very low | 31.4 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | 37.4 | 123.5 | 148.2 | 55.2 | 0 | 0 | 0 | 0 | 120.3 | E64 | T62-E64 PolarHBondContact O-N 2.79Š|
| 63 | A | 27.7 | Very low | 31.4 | Very low | 103 Ų | 103 | 134 Ų | 134 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -60 | 115.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 64 | E | 27.9 | Very low | 31.3 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | | | trans | -114.1 | 128.6 | 166.2 | -144.7 | -163.1 | 158.6 | 0 | 0 | 110 | T62 V66 | T62-E64 PolarHBondContact O-N 2.79Å; E64-V66 HydrophobicContact CB-CG2 4.35Å; E64-V66 HydrophobicContact CG-CG2 4.5Å; E64-V66 PolarHBondContact O-N 3.36Å; E64-V66 VanDerWaalsContact O-N 3.13Å |
| 65 | V | 26.9 | Very low | 31.1 | Very low | 139 Ų | 139 | 133 Ų | 133 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | | | trans | -79.3 | 86.1 | 175.3 | 174.7 | 0 | 0 | 0 | 0 | 107.2 | R67 | V65-R67 PolarHBondContact O-N 3.14Š|
| 66 | V | 29.1 | Very low | 31.4 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 63% | 0.63 | 79% | 0.792 | S | S | * | * | | | trans | -89.7 | 102.9 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | E64 A68 | E64-V66 HydrophobicContact CB-CG2 4.35Å; E64-V66 HydrophobicContact CG-CG2 4.5Å; E64-V66 PolarHBondContact O-N 3.36Å; E64-V66 VanDerWaalsContact O-N 3.13Å; V66-A68 VanDerWaalsContact C-N 3.33Å; V66-A68 PolarHBondContact O-N 3.05Å |
| 67 | R | 27.5 | Very low | 31.8 | Very low | 217 Ų | 217 | 124.8 Ų | 124.8 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | | | trans | -70.4 | 85.4 | 167.8 | -163 | -173.3 | -139.3 | 112.3 | -2.5 | 107.9 | V65 Q69 | V65-R67 PolarHBondContact O-N 3.14Å; R67-Q69 PolarHBondContact O-N 3.44Å |
| 68 | A | 29.8 | Very low | 32.1 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | -76.8 | 91.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V66 A70 | V66-A68 VanDerWaalsContact C-N 3.33Å; V66-A68 PolarHBondContact O-N 3.05Å; A68-A70 PolarHBondContact O-N 3.15Å |
| 69 | Q | 30.7 | Very low | 32.2 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | | | trans | -65.9 | 119 | 157.7 | -70.7 | -175.5 | -4.6 | 0 | 0 | 107.5 | R67 S71 | R67-Q69 PolarHBondContact O-N 3.44Å; Q69-S71 VanDerWaalsContact C-N 3.35Å; Q69-S71 PolarHBondContact O-N 2.74Å; Q69-S71 VanDerWaalsContact O-N 3.08Å |
| 70 | A | 29.5 | Very low | 32.2 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | | | trans | -78.2 | 87.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | A68 | A68-A70 PolarHBondContact O-N 3.15Š|
| 71 | S | 31 | Very low | 33 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -90.8 | 108 | 161.3 | 31.2 | 0 | 0 | 0 | 0 | 108.4 | Q69 | Q69-S71 VanDerWaalsContact C-N 3.35Å; Q69-S71 PolarHBondContact O-N 2.74Å; Q69-S71 VanDerWaalsContact O-N 3.08Å |
| 72 | L | 33.6 | Very low | 32.9 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 130.4 | 167 | -77.9 | 133.9 | 0 | 0 | 0 | 109.7 | | |
| 73 | P | 38.8 | Very low | 33.5 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 124.8 | 160.9 | 30.4 | -25.7 | 0 | 0 | 0 | 110 | | |
| 74 | T | 34.2 | Very low | 34.2 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146 | 173.5 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 75 | A | 31.4 | Very low | 34.6 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -25.6 | 136.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 76 | A | 38.2 | Very low | 35.4 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -168.5 | 123.8 | 133 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 77 | S | 38.9 | Very low | 36.2 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | | | trans | 44.1 | 135 | 143 | -115.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 78 | E | 38.6 | Very low | 36.8 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | 61.5 | 133.9 | 139.6 | -83.1 | 160.1 | 122.4 | 0 | 0 | 117.5 | | |
| 79 | E | 34.7 | Very low | 37.3 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | cis | -172.1 | 140.8 | 19.6 | -177.7 | -176.7 | 144.6 | 0 | 0 | 104.5 | | |
| 80 | A | 33.7 | Very low | 38.1 | Very low | 82 Ų | 82 | 143 Ų | 143 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | | | trans | -75.2 | 157.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 81 | P | 45.6 | Very low | 38.8 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -130.4 | 125.7 | 131.3 | 12.1 | 8.9 | 0 | 0 | 0 | 113.1 | | |
| 82 | R | 33.1 | Very low | 39.2 | Very low | 230 Ų | 230 | 153 Ų | 153 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | | | trans | -67 | 145 | 165.9 | -59 | 179.2 | 162.7 | 172.6 | -4.3 | 110 | | |
| 83 | L | 42.2 | Very low | 39.7 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | 171.7 | 137.8 | 154 | -92 | 168.7 | 0 | 0 | 0 | 107.7 | | |
| 84 | R | 43.6 | Very low | 39.9 | Very low | 232 Ų | 232 | 154.8 Ų | 154.8 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | | | cis | -163.8 | 148.1 | -21.4 | -119.5 | -174.7 | -162.6 | -175.3 | 6.6 | 106.6 | | |
| 85 | V | 35.5 | Very low | 40.3 | Very low | 151 Ų | 151 | 152.4 Ų | 152.4 | 92% | 0.915 | 81% | 0.811 | S | S | * | * | | | trans | -87.4 | 126.2 | 174.1 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 86 | A | 42.9 | Very low | 41.2 | Very low | 92 Ų | 92 | 155.2 Ų | 155.2 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | trans | 174.2 | 133.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 87 | D | 47.1 | Very low | 42 | Very low | 156 Ų | 156 | 159.6 Ų | 159.6 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | | -163.6 | 143.7 | 55.7 | -159.2 | -2.3 | 0 | 0 | 0 | 110.3 | | |
| 88 | V | 38.9 | Very low | 42.3 | Very low | 119 Ų | 119 | 160.5 Ų | 160.5 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | | | trans | -103.6 | 124 | 172.7 | 169.8 | 0 | 0 | 0 | 0 | 105.1 | | |
| 89 | R | 40.7 | Very low | 42.5 | Very low | 221 Ų | 221 | 164.1 Ų | 164.1 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | | | trans | 163.7 | 148.2 | 141.6 | -89.5 | 153.2 | -172 | -165.4 | 2.4 | 112.7 | | |
| 90 | Q | 48.6 | Very low | 42.8 | Very low | 179 Ų | 179 | 159.8 Ų | 159.8 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | | | trans | 78.8 | 123.8 | 162.4 | -32.6 | -157.3 | 28.6 | 0 | 0 | 113.5 | | |
| 91 | Q | 44.3 | Very low | 43.4 | Very low | 165 Ų | 165 | 167.3 Ų | 167.3 | 77% | 0.771 | 83% | 0.828 | S | S | * | * | | | cis | -167.3 | 103.7 | 44.8 | -176.5 | 172.3 | -35.7 | 0 | 0 | 109.4 | | |
| 92 | R | 38.7 | Very low | 43.6 | Very low | 251 Ų | 251 | 165.8 Ų | 165.8 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | | | trans | -79.6 | 117.4 | 153 | -75.5 | -172.6 | 179.2 | -135.8 | 1.8 | 106.7 | | |
| 93 | R | 43.5 | Very low | 44.4 | Very low | 238 Ų | 238 | 166.3 Ų | 166.3 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | | | trans | -178.5 | 124.7 | 160.2 | -102 | 164.3 | -154.7 | -135.2 | 9.5 | 108.9 | | |
| 94 | G | 43.8 | Very low | 44.9 | Very low | 86 Ų | 86 | 164.8 Ų | 164.8 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | | | trans | 150.3 | 67.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 95 | A | 42.7 | Very low | 45 | Very low | 86 Ų | 86 | 159 Ų | 159 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | | | trans | -89.7 | 158.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 96 | D | 49.4 | Very low | 45.5 | Very low | 154 Ų | 154 | 155 Ų | 155 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | | | trans | 129.4 | 139.2 | 157.2 | -74 | -29.7 | 0 | 0 | 0 | 112.5 | | |
| 97 | K | 55.2 | Low | 45.7 | Very low | 189 Ų | 189 | 159 Ų | 159 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | | | cis | -179.7 | 149.8 | -18.1 | -158.6 | 171.1 | -175 | 177 | 0 | 105 | | |
| 98 | P | 46 | Very low | 45.6 | Very low | 116 Ų | 116 | 158.1 Ų | 158.1 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | trans | -104.6 | 143.4 | -179.1 | 35.8 | -28 | 0 | 0 | 0 | 112.9 | | |
| 99 | R | 42.3 | Very low | 45.9 | Very low | 245 Ų | 245 | 156.8 Ų | 156.8 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | | | trans | 167.8 | 135.1 | 143.3 | -109.6 | -178.2 | 168.6 | -170.7 | -2.2 | 116 | | |
| 100 | A | 40.5 | Very low | 46.5 | Very low | 79 Ų | 79 | 152.6 Ų | 152.6 | 65% | 0.653 | 81% | 0.812 | S | S | * | * | | | | 91.3 | 141.2 | 120.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 101 | R | 47.2 | Very low | 46.2 | Very low | 240 Ų | 240 | 150.1 Ų | 150.1 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | | | trans | 80.4 | 139.2 | 153.1 | -75 | 169.6 | -169.2 | -123.8 | 2.9 | 116 | | |
| 102 | S | 49.8 | Very low | 46.2 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | | | cis | 177.5 | 145.2 | 8.5 | 35.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 103 | R | 48.6 | Very low | 46.6 | Very low | 240 Ų | 240 | 143.5 Ų | 143.5 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | | | | 165.3 | 139.3 | 119 | -95.2 | 179.5 | 146 | 136.9 | -4.9 | 113.7 | | |
| 104 | P | 53.2 | Low | 46.3 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | trans | -111.1 | 168.8 | 176.9 | 40.8 | -30.7 | 0 | 0 | 0 | 113.5 | | |
| 105 | A | 46.8 | Very low | 46.2 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | 164.5 | 140.9 | 138.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 106 | G | 45.7 | Very low | 46.2 | Very low | 68 Ų | 68 | 146.6 Ų | 146.6 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | 119.2 | 84.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 107 | E | 46.3 | Very low | 46.1 | Very low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | | 55.7 | 124.9 | 76.6 | -76.5 | -175.2 | 162.7 | 0 | 0 | 112.7 | | |
| 108 | N | 44.9 | Very low | 45.6 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | cis | -164 | 153 | 31.6 | -85.1 | -41.8 | 0 | 0 | 0 | 113.2 | | |
| 109 | A | 45 | Very low | 45.5 | Very low | 91 Ų | 91 | 144.7 Ų | 144.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | 39.6 | 131.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 110 | T | 53.5 | Low | 45.7 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | | -177.8 | 144.6 | 65.2 | -47.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 111 | P | 42.9 | Very low | 45.7 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -107.3 | 148.6 | 176.4 | 36.8 | -27 | 0 | 0 | 0 | 113.7 | | |
| 112 | G | 43.9 | Very low | 45.4 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | -173.9 | 118.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 113 | K | 47.2 | Very low | 44.9 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | | | trans | 71.9 | 103.8 | 147.3 | -53.7 | -169.4 | 179.2 | -172.8 | 0 | 118.3 | | |
| 114 | R | 37.7 | Very low | 44.8 | Very low | 249 Ų | 249 | 130.6 Ų | 130.6 | 94% | 0.94 | 79% | 0.786 | S | S | * | * | | | | 46.3 | 113.7 | 80.9 | -76.1 | -170.5 | -176.3 | 176.6 | 2 | 115.2 | | |
| 115 | S | 41.7 | Very low | 44.4 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | | -171.1 | 143.1 | 116.2 | -156 | 0 | 0 | 0 | 0 | 112.5 | | |
| 116 | S | 41.5 | Very low | 44.1 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | -94.4 | 175.3 | 178.2 | 49 | 0 | 0 | 0 | 0 | 112.8 | | |
| 117 | S | 49 | Very low | 43.7 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | 94.2 | 133.6 | 171.8 | 87.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 118 | D | 44.9 | Very low | 43.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | | | cis | -162.8 | 131.5 | 47.5 | -88.4 | -59.3 | 0 | 0 | 0 | 110.1 | | |
| 119 | R | 43.9 | Very low | 43.1 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | | | | 66.7 | 115.1 | 96.4 | -82.1 | -177.9 | 177.5 | 157.9 | -2.1 | 114.7 | | |
| 120 | Q | 46 | Very low | 42.7 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | | 127.4 | 151.2 | 102.1 | -92 | 163.4 | -11.6 | 0 | 0 | 107.4 | | |
| 121 | S | 41.1 | Very low | 42.6 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | cis | -168.2 | 164.8 | 0.7 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 122 | A | 39.1 | Very low | 42.2 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | | | trans | -64.9 | -179.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 123 | T | 40.3 | Very low | 42.2 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | trans | 110.3 | 128 | 153.5 | -40.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 124 | A | 46.7 | Very low | 41.7 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | cis | -170.2 | 173.3 | 1.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 125 | P | 44 | Very low | 41.8 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -104.4 | 171.4 | -162.5 | 39.3 | -31.3 | 0 | 0 | 0 | 115.6 | | |
| 126 | N | 41.1 | Very low | 41.8 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | 114.9 | 134.7 | 148.7 | -66.8 | -28.1 | 0 | 0 | 0 | 119.7 | | |
| 127 | T | 36.7 | Very low | 41.7 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | 91.7 | 130.3 | 141.1 | 12.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 128 | L | 41.5 | Very low | 41.7 | Very low | 137 Ų | 137 | 129 Ų | 129 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | 85.6 | 130.8 | 164.4 | -54 | 163.4 | 0 | 0 | 0 | 115.9 | | |
| 129 | R | 36.7 | Very low | 41.7 | Very low | 217 Ų | 217 | 133.3 Ų | 133.3 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | | | cis | -179.8 | 138.3 | -16.8 | -122.3 | 179.6 | 178.2 | 151.9 | -8.7 | 103.5 | | |
| 130 | S | 37.8 | Very low | 42 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | | | trans | 37.5 | 117.8 | 153 | 62.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 131 | I | 51.1 | Low | 42.1 | Very low | 168 Ų | 168 | 125.6 Ų | 125.6 | 86% | 0.862 | 76% | 0.76 | S | S | * | * | | | | -161.6 | 130.6 | 84.4 | -77.6 | 142.8 | 0 | 0 | 0 | 109.7 | | |
| 132 | S | 34.7 | Very low | 42.7 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | -53.9 | 148.1 | 174.4 | -56.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 133 | P | 44.3 | Very low | 42.9 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | | -134.9 | 83.2 | 58.9 | 33.1 | -12.9 | 0 | 0 | 0 | 112.8 | | |
| 134 | T | 36.3 | Very low | 43.6 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | | | trans | -74.1 | 123.5 | 165.4 | -40.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 135 | G | 39.2 | Very low | 43.6 | Very low | 59 Ų | 59 | 127.9 Ų | 127.9 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | | | trans | 166.1 | 61.8 | 168 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 136 | S | 42.9 | Very low | 44.2 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 52% | 0.524 | 75% | 0.745 | S | S | . | * | | | trans | 46.2 | 97.4 | 142.6 | 52.7 | 0 | 0 | 0 | 0 | 118 | L138 | S136-L138 PolarHBondContact O-N 3.2Š|
| 137 | A | 39 | Very low | 45 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 88% | 0.876 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 13 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 138 | L | 49.3 | Very low | 45.7 | Very low | 172 Ų | 172 | 123 Ų | 123 | 90% | 0.901 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.4 | 50.6 | 178.4 | -70.3 | 178 | 0 | 0 | 0 | 111.7 | S136 A140 | S136-L138 PolarHBondContact O-N 3.2Å; L138-A140 PolarHBondContact O-N 3.46Å |
| 139 | R | 44.3 | Very low | 46.5 | Very low | 208 Ų | 208 | 121 Ų | 121 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | | | trans | -87.4 | 106.4 | 175.4 | -134.2 | -177.7 | -171.5 | -113.9 | 3.2 | 110 | | |
| 140 | A | 50.4 | Low | 47.4 | Very low | 87 Ų | 87 | 118.6 Ų | 118.6 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | | | trans | -48.3 | 136.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L138 P142 | L138-A140 PolarHBondContact O-N 3.46Å; A140-P142 VanDerWaalsContact O-CD 3.25Å; A140-P142 WeakPolarHBondContact O-CD 3.28Å |
| 141 | N | 48.5 | Very low | 48.1 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 68% | 0.684 | 71% | 0.712 | S | S | * | * | | | trans | -58.2 | 113.6 | 173.3 | 179 | 24.5 | 0 | 0 | 0 | 109.6 | C143 | N141-C143 VanDerWaalsContact C-N 3.32Å; N141-C143 PolarHBondContact ND2-SG 3.02Å; N141-C143 PolarHBondContact O-N 3.42Å |
| 142 | P | 52.9 | Low | 47.9 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | | | trans | -79.7 | 86.2 | 172.8 | 31.9 | -26.8 | 0 | 0 | 0 | 107.8 | A140 S144 | A140-P142 VanDerWaalsContact O-CD 3.25Å; A140-P142 WeakPolarHBondContact O-CD 3.28Å; P142-S144 VanDerWaalsContact C-N 3.3Å; P142-S144 PolarHBondContact O-N 3.08Å |
| 143 | C | 43.6 | Very low | 49 | Very low | 75 Ų | 75 | 119.7 Ų | 119.7 | 51% | 0.507 | 70% | 0.701 | S | S | . | * | | | trans | -66.1 | 100.3 | 157.5 | -68.2 | 0 | 0 | 0 | 0 | 106.3 | N141 E145 | N141-C143 VanDerWaalsContact C-N 3.32Å; N141-C143 PolarHBondContact ND2-SG 3.02Å; N141-C143 PolarHBondContact O-N 3.42Å; C143-E145 PolarHBondContact O-N 2.89Å |
| 144 | S | 54.2 | Low | 49.5 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | | | trans | -63.5 | 105 | 171.7 | 42.5 | 0 | 0 | 0 | 0 | 108.4 | P142 G146 | P142-S144 VanDerWaalsContact C-N 3.3Å; P142-S144 PolarHBondContact O-N 3.08Å; S144-G146 PolarHBondContact O-N 2.85Å |
| 145 | E | 48.3 | Very low | 50.4 | Low | 203 Ų | 203 | 116.1 Ų | 116.1 | 95% | 0.949 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | 93.3 | 173.6 | -169.5 | 159.2 | -166.5 | 0 | 0 | 110.1 | C143 | C143-E145 PolarHBondContact O-N 2.89Š|
| 146 | G | 55.7 | Low | 50.7 | Low | 66 Ų | 66 | 117.6 Ų | 117.6 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168.8 | -26.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | S144 | S144-G146 PolarHBondContact O-N 2.85Š|
| 147 | T | 57.8 | Low | 51 | Low | 126 Ų | 126 | 117.1 Ų | 117.1 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -130.1 | -6.9 | -167.2 | -27.2 | 0 | 0 | 0 | 0 | 115.4 | P149 | T147-P149 WeakPolarHBondContact O-CD 3.33Š|
| 148 | D | 51.7 | Low | 51.4 | Low | 77 Ų | 77 | 117.8 Ų | 117.8 | 41% | 0.412 | 66% | 0.663 | S | S | . | * | | | trans | -107.7 | 111.9 | -176.6 | -166 | -3.4 | 0 | 0 | 0 | 111.7 | F150 C151 | D148-F150 PolarHBondContact O-N 3.29Å; D148-F150 WeakPolarHBondContact OD1-CB 3.39Å; D148-F150 WeakPolarHBondContact OD1-CD2 3.1Å; D148-F150 PolarHBondContact OD1-N 3.05Å; D148-C151 HydrophobicContact CB-CB 4.3Å; D148-C151 PolarHBondContact O-N 3.41Å; D148-C151 VanDerWaalsContact O-N 3.1Å |
| 149 | P | 58.8 | Low | 51.4 | Low | 94 Ų | 94 | 117.7 Ų | 117.7 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -56.9 | -28.5 | 173.8 | -21.6 | 31.9 | 0 | 0 | 0 | 112.8 | T147 C151 R152 | T147-P149 WeakPolarHBondContact O-CD 3.33Å; P149-C151 VanDerWaalsContact C-N 3.27Å; P149-C151 PolarHBondContact O-N 2.83Å; P149-R152 PolarHBondContact O-N 3.39Å |
| 150 | F | 55.4 | Low | 51.1 | Low | 167 Ų | 167 | 114.8 Ų | 114.8 | 73% | 0.732 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -72 | -21.4 | 179.7 | -72.6 | -84 | 0 | 0 | 0 | 113 | D148 R152 | D148-F150 PolarHBondContact O-N 3.29Å; D148-F150 WeakPolarHBondContact OD1-CB 3.39Å; D148-F150 WeakPolarHBondContact OD1-CD2 3.1Å; D148-F150 PolarHBondContact OD1-N 3.05Å; F150-R152 VanDerWaalsContact C-N 3.33Å |
| 151 | C | 52.4 | Low | 50.5 | Low | 76 Ų | 76 | 121.9 Ų | 121.9 | 51% | 0.514 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -85.1 | -4.1 | 174.7 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | D148 P149 | D148-C151 HydrophobicContact CB-CB 4.3Å; D148-C151 PolarHBondContact O-N 3.41Å; D148-C151 VanDerWaalsContact O-N 3.1Å; P149-C151 VanDerWaalsContact C-N 3.27Å; P149-C151 PolarHBondContact O-N 2.83Å |
| 152 | R | 47 | Very low | 50 | Low | 217 Ų | 217 | 120.3 Ų | 120.3 | 82% | 0.819 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -103.9 | -2.8 | 175.4 | -77.8 | -157.4 | 175.5 | -177.5 | 1.4 | 114.7 | P149 F150 P154 | P149-R152 PolarHBondContact O-N 3.39Å; F150-R152 VanDerWaalsContact C-N 3.33Å; R152-P154 WeakPolarHBondContact O-CD 3.49Å |
| 153 | L | 58 | Low | 49.4 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 51% | 0.513 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -69.7 | 115 | 168.7 | -97.5 | 92.6 | 0 | 0 | 0 | 108.2 | L155 | L153-L155 PolarHBondContact O-N 3.43Š|
| 154 | P | 53.4 | Low | 49.5 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 53% | 0.526 | 67% | 0.67 | S | S | . | * | | | trans | -60.3 | 112.1 | 169 | 25.8 | -30.8 | 0 | 0 | 0 | 106.4 | R152 S156 A157 | R152-P154 WeakPolarHBondContact O-CD 3.49Å; P154-S156 PolarHBondContact O-N 3.07Å; P154-A157 HydrophobicContact CG-CB 4.29Å; P154-A157 WeakPolarHBondContact O-CB 3.18Å; P154-A157 PolarHBondContact O-N 3.38Å |
| 155 | L | 55.2 | Low | 49.1 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -47.9 | -27.8 | 174.9 | -80.7 | 160 | 0 | 0 | 0 | 111.3 | L153 A157 L158 F159 | L153-L155 PolarHBondContact O-N 3.43Å; L155-A157 PolarHBondContact O-N 3Å; L155-L158 PolarHBondContact O-N 2.84Å; L155-F159 WeakPolarHBondContact O-CD2 3.47Å |
| 156 | S | 46.6 | Very low | 49.1 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 63% | 0.629 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -59.5 | -21.8 | 174.3 | -40.9 | 0 | 0 | 0 | 0 | 115.3 | P154 | P154-S156 PolarHBondContact O-N 3.07Š|
| 157 | A | 48.2 | Very low | 48.8 | Very low | 66 Ų | 66 | 120.4 Ų | 120.4 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -82.2 | -18.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P154 L155 | P154-A157 HydrophobicContact CG-CB 4.29Å; P154-A157 WeakPolarHBondContact O-CB 3.18Å; P154-A157 PolarHBondContact O-N 3.38Å; L155-A157 PolarHBondContact O-N 3Å |
| 158 | L | 48.7 | Very low | 48.6 | Very low | 120 Ų | 120 | 116.7 Ų | 116.7 | 63% | 0.628 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -89.4 | -7.9 | 174.5 | -65.8 | 172.3 | 0 | 0 | 0 | 112.6 | L155 | L155-L158 PolarHBondContact O-N 2.84Š|
| 159 | F | 47.5 | Very low | 48.5 | Very low | 170 Ų | 170 | 116.5 Ų | 116.5 | 75% | 0.746 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -118 | 19.5 | -174.1 | -79.9 | -78.9 | 0 | 0 | 0 | 114.4 | L155 | L155-F159 WeakPolarHBondContact O-CD2 3.47Š|
| 160 | N | 38.3 | Very low | 47.9 | Very low | 147 Ų | 147 | 117.7 Ų | 117.7 | 79% | 0.786 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -138.4 | 26.4 | -177.4 | -126.5 | -13.4 | 0 | 0 | 0 | 114.6 | | |
| 161 | W | 39.1 | Very low | 47.9 | Very low | 236 Ų | 236 | 115.4 Ų | 115.4 | 89% | 0.894 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -141.6 | 134.7 | -174.6 | -165.2 | -99.6 | 0 | 0 | 0 | 112.4 | | |
| 162 | P | 37.3 | Very low | 47.9 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 61% | 0.61 | 63% | 0.631 | S | S | * | * | | | | -76.5 | 145.5 | -94 | 38 | -25.6 | 0 | 0 | 0 | 112.2 | A164 | P162-A164 PolarHBondContact O-N 3.32Š|
| 163 | E | 41.2 | Very low | 48 | Very low | 149 Ų | 149 | 115.1 Ų | 115.1 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | | | trans | 19.5 | 82.3 | 146.5 | -158.4 | 151.6 | -165.4 | 0 | 0 | 115.8 | V165 | E163-V165 HydrophobicContact CG-CB 3.96Å; E163-V165 HydrophobicContact CG-CG2 3.54Å; E163-V165 PolarHBondContact O-N 2.98Å |
| 164 | A | 45.5 | Very low | 47.5 | Very low | 82 Ų | 82 | 118.9 Ų | 118.9 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 31.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P162 H166 | P162-A164 PolarHBondContact O-N 3.32Å; A164-H166 VanDerWaalsContact C-N 3.35Å |
| 165 | V | 44 | Very low | 47.1 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -24.3 | 169.2 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | E163 | E163-V165 HydrophobicContact CG-CB 3.96Å; E163-V165 HydrophobicContact CG-CG2 3.54Å; E163-V165 PolarHBondContact O-N 2.98Å |
| 166 | H | 50.1 | Low | 46.5 | Very low | 112 Ų | 112 | 117.2 Ų | 117.2 | 52% | 0.519 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -104.7 | -3.5 | -174.3 | -58.6 | -55.9 | 0 | 0 | 0 | 116 | A164 G168 D169 L170 | A164-H166 VanDerWaalsContact C-N 3.35Å; H166-G168 VanDerWaalsContact C-N 3.29Å; H166-G168 PolarHBondContact O-N 3.21Å; H166-D169 IonicContact ND1-OD2 2.96Å; H166-D169 PolarHBondContact ND1-OD2 3.07Å; H166-D169 PolarHBondContact O-N 2.84Å; H166-L170 PolarHBondContact O-N 3.2Å |
| 167 | L | 48.1 | Very low | 46.1 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 59% | 0.586 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.9 | -32.7 | 174.7 | -97.1 | 76.7 | 0 | 0 | 0 | 111.9 | D169 L170 L171 | L167-D169 VanDerWaalsContact C-N 3.31Å; L167-L170 PolarHBondContact O-N 3.29Å; L167-L171 PolarHBondContact O-N 3.2Å; L167-L171 VanDerWaalsContact O-N 3.15Å |
| 168 | G | 54 | Low | 45.7 | Very low | 48 Ų | 48 | 121.4 Ų | 121.4 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.6 | -39.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H166 R172 | H166-G168 VanDerWaalsContact C-N 3.29Å; H166-G168 PolarHBondContact O-N 3.21Å; G168-R172 VanDerWaalsContact O-CB 3.28Å; G168-R172 WeakPolarHBondContact O-CB 3.43Å; G168-R172 PolarHBondContact O-N 3.48Å; G168-R172 VanDerWaalsContact O-N 3.13Å |
| 169 | D | 48.6 | Very low | 44.9 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 39% | 0.385 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.9 | -42.1 | 176.9 | -62 | -30.2 | 0 | 0 | 0 | 111 | H166 L167 L171 R172 I173 | H166-D169 IonicContact ND1-OD2 2.96Å; H166-D169 PolarHBondContact ND1-OD2 3.07Å; H166-D169 PolarHBondContact O-N 2.84Å; L167-D169 VanDerWaalsContact C-N 3.31Å; D169-L171 PolarHBondContact O-N 3.39Å; D169-R172 CarbonylContact O-C 3.58Å; D169-R172 PolarHBondContact O-N 3.13Å; D169-R172 VanDerWaalsContact O-N 3.11Å; D169-I173 HydrophobicContact CB-CD1 4.4Å; D169-I173 WeakPolarHBondContact O-CB 3.11Å; D169-I173 WeakPolarHBondContact O-CD1 3.34Å; D169-I173 WeakPolarHBondContact O-CG1 3.41Å; D169-I173 PolarHBondContact O-N 2.91Å |
| 170 | L | 46.2 | Very low | 44 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 62% | 0.623 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.3 | -40.2 | -179.3 | -141.1 | 72.1 | 0 | 0 | 0 | 112.8 | H166 L167 R172 W174 | H166-L170 PolarHBondContact O-N 3.2Å; L167-L170 PolarHBondContact O-N 3.29Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-W174 WeakPolarHBondContact O-CB 3.46Å; L170-W174 PolarHBondContact O-N 3.37Å |
| 171 | L | 56.2 | Low | 43.6 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 63% | 0.628 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.1 | -29.8 | 173.7 | -86.5 | 152 | 0 | 0 | 0 | 112.6 | L167 D169 L175 | L167-L171 PolarHBondContact O-N 3.2Å; L167-L171 VanDerWaalsContact O-N 3.15Å; D169-L171 PolarHBondContact O-N 3.39Å; L171-L175 WeakPolarHBondContact O-CB 3.32Å; L171-L175 PolarHBondContact O-N 2.93Å |
| 172 | R | 52.3 | Low | 43.3 | Very low | 198 Ų | 198 | 120.2 Ų | 120.2 | 75% | 0.747 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.5 | -36.2 | 176.9 | -153.9 | 174 | -170.5 | -170.9 | 0.8 | 112.1 | G168 D169 L170 G176 | G168-R172 VanDerWaalsContact O-CB 3.28Å; G168-R172 WeakPolarHBondContact O-CB 3.43Å; G168-R172 PolarHBondContact O-N 3.48Å; G168-R172 VanDerWaalsContact O-N 3.13Å; D169-R172 CarbonylContact O-C 3.58Å; D169-R172 PolarHBondContact O-N 3.13Å; D169-R172 VanDerWaalsContact O-N 3.11Å; L170-R172 VanDerWaalsContact C-N 3.34Å; R172-G176 PolarHBondContact O-N 2.64Å |
| 173 | I | 49 | Very low | 43.1 | Very low | 88 Ų | 88 | 120 Ų | 120 | 45% | 0.451 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -61.9 | -48.9 | 169.6 | -74.2 | 168.9 | 0 | 0 | 0 | 108.9 | D169 G176 F177 | D169-I173 HydrophobicContact CB-CD1 4.4Å; D169-I173 WeakPolarHBondContact O-CB 3.11Å; D169-I173 WeakPolarHBondContact O-CD1 3.34Å; D169-I173 WeakPolarHBondContact O-CG1 3.41Å; D169-I173 PolarHBondContact O-N 2.91Å; I173-G176 CarbonylContact O-C 3.6Å; I173-G176 WeakPolarHBondContact O-CA 3.19Å; I173-G176 PolarHBondContact O-N 2.71Å; I173-G176 VanDerWaalsContact O-N 3.14Å; I173-F177 HydrophobicContact CG2-CD2 3.7Å; I173-F177 HydrophobicContact CG2-CE2 3.43Å; I173-F177 VanDerWaalsContact CG2-CE2 3.43Å; I173-F177 WeakPolarHBondContact O-CD2 3.35Å; I173-F177 PolarHBondContact O-N 3.07Å |
| 174 | W | 48.8 | Very low | 42.7 | Very low | 178 Ų | 178 | 118.5 Ų | 118.5 | 67% | 0.674 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.8 | -38.2 | -179.8 | -161.6 | -3.7 | 0 | 0 | 0 | 113.7 | L170 G176 F177 S178 | L170-W174 WeakPolarHBondContact O-CB 3.46Å; L170-W174 PolarHBondContact O-N 3.37Å; W174-G176 PolarHBondContact O-N 2.89Å; W174-F177 PolarHBondContact O-N 2.92Å; W174-S178 PolarHBondContact O-N 3.33Å; W174-S178 PolarHBondContact O-OG 3.34Å; W174-S178 VanDerWaalsContact O-OG 3.1Å |
| 175 | L | 44.3 | Very low | 42.3 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 67% | 0.665 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.7 | -21.2 | 173.3 | -159.6 | 69.2 | 0 | 0 | 0 | 112.5 | L171 | L171-L175 WeakPolarHBondContact O-CB 3.32Å; L171-L175 PolarHBondContact O-N 2.93Å |
| 176 | G | 41.6 | Very low | 41.7 | Very low | 43 Ų | 43 | 123.1 Ų | 123.1 | 44% | 0.443 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -81.4 | -36.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R172 I173 W174 S178 R179 | R172-G176 PolarHBondContact O-N 2.64Å; I173-G176 CarbonylContact O-C 3.6Å; I173-G176 WeakPolarHBondContact O-CA 3.19Å; I173-G176 PolarHBondContact O-N 2.71Å; I173-G176 VanDerWaalsContact O-N 3.14Å; W174-G176 PolarHBondContact O-N 2.89Å; G176-S178 PolarHBondContact O-N 3.01Å; G176-R179 PolarHBondContact O-N 3.44Å |
| 177 | F | 39 | Very low | 41 | Very low | 155 Ų | 155 | 121.8 Ų | 121.8 | 68% | 0.68 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.9 | -9.6 | 176.2 | -78.8 | -68 | 0 | 0 | 0 | 114.2 | I173 W174 R179 | I173-F177 HydrophobicContact CG2-CD2 3.7Å; I173-F177 HydrophobicContact CG2-CE2 3.43Å; I173-F177 VanDerWaalsContact CG2-CE2 3.43Å; I173-F177 WeakPolarHBondContact O-CD2 3.35Å; I173-F177 PolarHBondContact O-N 3.07Å; W174-F177 PolarHBondContact O-N 2.92Å; F177-R179 PolarHBondContact O-N 3.25Å |
| 178 | S | 39.4 | Very low | 40.3 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 12.9 | 174.2 | -53.6 | 0 | 0 | 0 | 0 | 112.9 | W174 G176 | W174-S178 PolarHBondContact O-N 3.33Å; W174-S178 PolarHBondContact O-OG 3.34Å; W174-S178 VanDerWaalsContact O-OG 3.1Å; G176-S178 PolarHBondContact O-N 3.01Å |
| 179 | R | 32.3 | Very low | 39.4 | Very low | 207 Ų | 207 | 124 Ų | 124 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -132.3 | 64.3 | -177.7 | -65.2 | -176.6 | 179.3 | -112.3 | -0.3 | 111.4 | G176 F177 | G176-R179 PolarHBondContact O-N 3.44Å; F177-R179 PolarHBondContact O-N 3.25Å |
| 180 | T | 27.7 | Very low | 38.3 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | | | trans | -171.8 | 113.5 | 169.2 | 16.3 | 0 | 0 | 0 | 0 | 105.1 | | |
| 181 | V | 30.7 | Very low | 37.5 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | | | | -152.8 | 103.6 | 67.9 | 170.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 182 | E | 32.6 | Very low | 36.2 | Very low | 204 Ų | 204 | 125.6 Ų | 125.6 | 95% | 0.953 | 71% | 0.713 | S | S | * | * | | | trans | -128.1 | 58.2 | 150.8 | -82.8 | -159.5 | 160.7 | 0 | 0 | 107.1 | | |
| 183 | S | 32.6 | Very low | 35.1 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | | | trans | -104 | 100.8 | 161.9 | 60.9 | 0 | 0 | 0 | 0 | 107.2 | P185 | S183-P185 WeakPolarHBondContact O-CD 3.42Š|
| 184 | V | 32.7 | Very low | 34 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | | | trans | -27.3 | 117.6 | 167.8 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 185 | P | 38.5 | Very low | 33.1 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | | | trans | -98 | 100 | 155.4 | 31.7 | -19.1 | 0 | 0 | 0 | 107.3 | S183 | S183-P185 WeakPolarHBondContact O-CD 3.42Š|
| 186 | N | 31.1 | Very low | 32.4 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | -67.1 | 136.6 | 160.1 | -92.8 | -26 | 0 | 0 | 0 | 108 | | |
| 187 | A | 34.8 | Very low | 31.9 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 73.8 | 108.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 188 | T | 34.4 | Very low | 31.6 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | | | | 74.3 | 112.6 | 129.7 | -46.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 189 | G | 33.9 | Very low | 31.3 | Very low | 60 Ų | 60 | 127.6 Ų | 127.6 | 62% | 0.619 | 77% | 0.773 | S | S | * | * | | | trans | 109.8 | 85.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 190 | D | 25.1 | Very low | 31.1 | Very low | 164 Ų | 164 | 125 Ų | 125 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | | 35.7 | 112.5 | 124.8 | -46.2 | -10.6 | 0 | 0 | 0 | 118 | | |
| 191 | A | 30.2 | Very low | 31.4 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | | 149.3 | 127.8 | 115.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 192 | A | 29.1 | Very low | 31.5 | Very low | 86 Ų | 86 | 122.7 Ų | 122.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | 64 | 111.4 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 193 | F | 28.4 | Very low | 31.2 | Very low | 212 Ų | 212 | 122.2 Ų | 122.2 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | | | | -165.6 | 91.5 | 108.8 | -103.9 | -77.5 | 0 | 0 | 0 | 108.1 | | |
| 194 | C | 27.2 | Very low | 31.1 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -87.3 | 115.8 | 160.7 | -164 | 0 | 0 | 0 | 0 | 106.1 | | |
| 195 | G | 30.3 | Very low | 31.1 | Very low | 67 Ų | 67 | 121.3 Ų | 121.3 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -132.8 | 105.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 196 | D | 28.2 | Very low | 30.8 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -55.8 | 130.8 | -172 | -61.7 | -56.1 | 0 | 0 | 0 | 114.6 | | |
| 197 | I | 31 | Very low | 31.2 | Very low | 167 Ų | 167 | 118.9 Ų | 118.9 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -123.3 | 89 | 153.2 | -56.7 | -179.5 | 0 | 0 | 0 | 107.1 | A199 | I197-A199 PolarHBondContact O-N 3.22Š|
| 198 | V | 34.2 | Very low | 31 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | trans | -67.6 | 116 | 171.8 | 169.9 | 0 | 0 | 0 | 0 | 109.2 | I200 | V198-I200 HydrophobicContact CG1-CG1 4.49Å; V198-I200 PolarHBondContact O-N 3.17Å |
| 199 | A | 32.9 | Very low | 30.9 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -77.1 | 105.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | I197 S201 | I197-A199 PolarHBondContact O-N 3.22Å; A199-S201 PolarHBondContact O-N 3.38Å |
| 200 | I | 27.8 | Very low | 31.2 | Very low | 153 Ų | 153 | 125 Ų | 125 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -81.8 | 99.3 | 173.6 | -40.1 | 170.2 | 0 | 0 | 0 | 108.3 | V198 | V198-I200 HydrophobicContact CG1-CG1 4.49Å; V198-I200 PolarHBondContact O-N 3.17Å |
| 201 | S | 34.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -176.1 | 111.4 | 158.8 | 168.9 | 0 | 0 | 0 | 0 | 113 | A199 | A199-S201 PolarHBondContact O-N 3.38Š|
| 202 | G | 33 | Very low | 32.1 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | 98.6 | 97.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P204 | G202-P204 WeakPolarHBondContact O-CD 3.47Š|
| 203 | Q | 26 | Very low | 32.8 | Very low | 195 Ų | 195 | 131.9 Ų | 131.9 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | | | trans | -57.9 | 140.1 | 164.4 | -68.4 | -134.5 | -71.4 | 0 | 0 | 111.8 | | |
| 204 | P | 30.8 | Very low | 33.2 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | -127.1 | 139.2 | 132.2 | 26 | -9.9 | 0 | 0 | 0 | 110.2 | G202 | G202-P204 WeakPolarHBondContact O-CD 3.47Š|
| 205 | G | 32.3 | Very low | 33.8 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -64.2 | 154 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 206 | S | 31.4 | Very low | 34.4 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | | 42.5 | 95.1 | 129.9 | -178.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 207 | S | 39.1 | Very low | 34.8 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | | -169.1 | 126.5 | 120.2 | 63 | 0 | 0 | 0 | 0 | 109.1 | C209 | S207-C209 PolarHBondContact O-N 3.4Š|
| 208 | D | 30.6 | Very low | 35.3 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -56.7 | 122.2 | 171.5 | -57.4 | -55.1 | 0 | 0 | 0 | 110.8 | | |
| 209 | C | 33 | Very low | 35.4 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -132.2 | 92.9 | 167.8 | -80.3 | 0 | 0 | 0 | 0 | 108.4 | S207 | S207-C209 PolarHBondContact O-N 3.4Š|
| 210 | V | 40.3 | Very low | 35.6 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 135.3 | 165.4 | 179 | 0 | 0 | 0 | 0 | 108.1 | Y212 | V210-Y212 PolarHBondContact O-N 2.93Š|
| 211 | P | 39.4 | Very low | 36.1 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 129.8 | -177.2 | 27.8 | -32.9 | 0 | 0 | 0 | 111.3 | | |
| 212 | Y | 35 | Very low | 36.4 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 120.9 | 175.2 | 172.4 | -100 | 0 | 0 | 0 | 110.3 | V210 E214 | V210-Y212 PolarHBondContact O-N 2.93Å; Y212-E214 HydrophobicContact CD1-CB 4.46Å; Y212-E214 HydrophobicContact CE1-CB 3.68Å; Y212-E214 HydrophobicContact CE1-CG 4.21Å |
| 213 | E | 44.8 | Very low | 36.7 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 119.6 | 165.1 | -79.4 | -77.5 | 142.3 | 0 | 0 | 108.8 | | |
| 214 | E | 35.3 | Very low | 37.3 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | | | trans | -81.4 | 113.5 | 175.7 | -171.6 | -174.2 | 164.5 | 0 | 0 | 110.2 | Y212 | Y212-E214 HydrophobicContact CD1-CB 4.46Å; Y212-E214 HydrophobicContact CE1-CB 3.68Å; Y212-E214 HydrophobicContact CE1-CG 4.21Å |
| 215 | K | 39.6 | Very low | 37.6 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | -138.4 | 105.9 | 161.6 | -161.5 | 175.1 | -179.3 | -177.5 | 0 | 111.4 | | |
| 216 | K | 44.1 | Very low | 37.9 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -58.6 | 126.8 | 163.4 | -92.8 | 170.5 | 169.5 | 163.9 | 0 | 110.3 | | |
| 217 | T | 37 | Very low | 38.6 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | | | | 177.6 | 120.9 | 106.3 | -63.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 218 | L | 39.7 | Very low | 38.4 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -52.9 | 156.1 | 171 | -63.5 | 151.6 | 0 | 0 | 0 | 110.5 | | |
| 219 | S | 36.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | cis | -162.7 | 156.6 | 27.4 | 42.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 220 | G | 36.8 | Very low | 39.5 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 163.8 | 86 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 221 | T | 37.9 | Very low | 39.4 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | trans | -54.5 | 146.2 | -174.3 | -36.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 222 | A | 40.7 | Very low | 39.5 | Very low | 76 Ų | 76 | 136.3 Ų | 136.3 | 63% | 0.628 | 80% | 0.799 | S | S | * | * | | | trans | -56.6 | 153.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 223 | D | 40.9 | Very low | 40.1 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | | | | -172.1 | 129.1 | 112.6 | -87.7 | -25 | 0 | 0 | 0 | 110.4 | | |
| 224 | G | 37.9 | Very low | 40 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -118.9 | 122.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 225 | C | 37.1 | Very low | 40.4 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | 155.9 | 109.6 | 137.5 | -156.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 226 | S | 38.7 | Very low | 40.9 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | 15.1 | 162.4 | 147.7 | -61 | 0 | 0 | 0 | 0 | 123 | | |
| 227 | P | 45.2 | Very low | 41.2 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | cis | -133.8 | -176.3 | -10.2 | 32.2 | -10.4 | 0 | 0 | 0 | 114.2 | | |
| 228 | S | 35.6 | Very low | 41.9 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | 111.5 | 110.9 | 144.4 | -150 | 0 | 0 | 0 | 0 | 118.1 | | |
| 229 | S | 44.9 | Very low | 42.1 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | | | trans | 72.7 | 106.2 | 135.6 | -51.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 230 | E | 42.4 | Very low | 42.3 | Very low | 186 Ų | 186 | 127.6 Ų | 127.6 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | | 81.2 | 127.2 | 128.3 | -66.9 | -165.8 | 111.8 | 0 | 0 | 122 | | |
| 231 | A | 37.8 | Very low | 42.8 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | 70.4 | 132.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 232 | L | 42.3 | Very low | 43.2 | Very low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | cis | -168.3 | 160.3 | 4 | -101 | 165.3 | 0 | 0 | 0 | 105.8 | | |
| 233 | P | 47.2 | Very low | 43.4 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | trans | -100.9 | 157.6 | -167.6 | 37.9 | -32 | 0 | 0 | 0 | 113.9 | | |
| 234 | R | 41.1 | Very low | 43.7 | Very low | 254 Ų | 254 | 130.5 Ų | 130.5 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | | | trans | -165.7 | 122.4 | 149.4 | -112.3 | 169.1 | -165.2 | 172.2 | 4.7 | 113.6 | | |
| 235 | A | 45.4 | Very low | 44 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -70.7 | -168.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 236 | P | 49.9 | Very low | 44.3 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -143.3 | 169.6 | 4.5 | 23 | 5.3 | 0 | 0 | 0 | 118.5 | | |
| 237 | V | 50.8 | Low | 44.5 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | | | trans | -8.6 | 177 | 147.6 | -107.6 | 0 | 0 | 0 | 0 | 121 | | |
| 238 | P | 51.2 | Low | 44.7 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | cis | -149.8 | -169.9 | -4.7 | 32.7 | -7 | 0 | 0 | 0 | 118.1 | | |
| 239 | R | 42.9 | Very low | 45.2 | Very low | 244 Ų | 244 | 139.3 Ų | 139.3 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | 92.8 | 118.4 | 137.2 | -89.7 | 171.5 | -170 | 171.2 | 2.3 | 121.4 | | |
| 240 | A | 41.6 | Very low | 45.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | | 176.4 | 108.2 | 126.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 241 | S | 46.6 | Very low | 45.7 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | | 100.6 | 116.6 | 63.6 | 74.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 242 | S | 47.4 | Very low | 46.3 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | 73.5 | 149 | 145 | 84.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 243 | R | 44.8 | Very low | 47.1 | Very low | 233 Ų | 233 | 136.8 Ų | 136.8 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | cis | -172.4 | 152.2 | 12.2 | -145 | 171.9 | 179.9 | 168.4 | -1.6 | 108.9 | | |
| 244 | A | 46.1 | Very low | 47.5 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | trans | 65 | 113.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 245 | N | 44.7 | Very low | 48.1 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | | 82.8 | 124.6 | 64.2 | -85.1 | -20.8 | 0 | 0 | 0 | 115.8 | | |
| 246 | R | 43.5 | Very low | 48.3 | Very low | 222 Ų | 222 | 137.3 Ų | 137.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | 96.6 | 110.2 | 148.5 | -72.9 | -178.3 | -171.5 | 102.6 | 0.7 | 119.8 | | |
| 247 | A | 43.8 | Very low | 48.2 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | | | | 58.3 | 110.9 | 124.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 248 | D | 48.4 | Very low | 48 | Very low | 160 Ų | 160 | 147 Ų | 147 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | -152.2 | 136.7 | 133.2 | -146.1 | -5.6 | 0 | 0 | 0 | 111.6 | | |
| 249 | S | 46.7 | Very low | 47.5 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -77 | 131.2 | 175.7 | 43.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 250 | G | 52.9 | Low | 47.3 | Very low | 68 Ų | 68 | 150.1 Ų | 150.1 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | -156.7 | 124.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E252 | G250-E252 PolarHBondContact O-N 3.26Š|
| 251 | D | 45.4 | Very low | 47.2 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | trans | -38 | 114.3 | 177.8 | -73.5 | -57.2 | 0 | 0 | 0 | 115.8 | | |
| 252 | E | 49.6 | Very low | 46.5 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -100.5 | 100.7 | 164.6 | -169.2 | 82.8 | -166.1 | 0 | 0 | 108.9 | G250 | G250-E252 PolarHBondContact O-N 3.26Š|
| 253 | A | 58.5 | Low | 45.9 | Very low | 78 Ų | 78 | 153.2 Ų | 153.2 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 145.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R255 | A253-R255 PolarHBondContact O-N 2.92Š|
| 254 | P | 55.7 | Low | 45.1 | Very low | 131 Ų | 131 | 150 Ų | 150 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 120.1 | -175.8 | -11.5 | 26.1 | 0 | 0 | 0 | 111.1 | | |
| 255 | R | 53 | Low | 44.2 | Very low | 208 Ų | 208 | 151.6 Ų | 151.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 139.2 | 174.5 | -63.9 | -159.6 | -170.3 | -158.5 | 5.3 | 111.4 | A253 R257 | A253-R255 PolarHBondContact O-N 2.92Å; R255-R257 PolarHBondContact O-N 3.35Å |
| 256 | P | 50.8 | Low | 43.5 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 118.4 | -178.6 | 26.5 | -32.5 | 0 | 0 | 0 | 110.7 | K258 | P256-K258 PolarHBondContact O-N 3.33Š|
| 257 | R | 46.6 | Very low | 42.8 | Very low | 238 Ų | 238 | 149.1 Ų | 149.1 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 119 | 170.9 | -67.9 | -178.7 | 177.6 | 176.4 | -0.9 | 108.8 | R255 R259 | R255-R257 PolarHBondContact O-N 3.35Å; R257-R259 PolarHBondContact O-N 3.27Å; R257-R259 VanDerWaalsContact O-N 3.07Å |
| 258 | K | 47.3 | Very low | 42 | Very low | 209 Ų | 209 | 153.1 Ų | 153.1 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -55.7 | 112.4 | 169.9 | -72.9 | -175.1 | 176.7 | -177.9 | 0 | 108.4 | P256 Q260 | P256-K258 PolarHBondContact O-N 3.33Å; K258-Q260 PolarHBondContact O-N 2.93Å |
| 259 | R | 39.9 | Very low | 41 | Very low | 237 Ų | 237 | 151.4 Ų | 151.4 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | | | trans | -67.3 | 126.5 | 174.5 | -73.7 | -174.1 | 176.5 | -169.6 | -0.8 | 109.1 | R257 | R257-R259 PolarHBondContact O-N 3.27Å; R257-R259 VanDerWaalsContact O-N 3.07Å |
| 260 | Q | 39.8 | Very low | 40.1 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | | | trans | -61.4 | 146.5 | 169.6 | -72.6 | -86.3 | -0.6 | 0 | 0 | 109.9 | K258 E262 | K258-Q260 PolarHBondContact O-N 2.93Å; Q260-E262 PolarHBondContact O-N 3.1Å |
| 261 | P | 39.3 | Very low | 38.9 | Very low | 111 Ų | 111 | 157.9 Ų | 157.9 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | trans | -68.4 | 112.8 | 177.9 | 26.7 | -31 | 0 | 0 | 0 | 110.6 | T263 | P261-T263 PolarHBondContact O-N 3.33Š|
| 262 | E | 32.5 | Very low | 38.2 | Very low | 138 Ų | 138 | 156.1 Ų | 156.1 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | | | trans | -61.2 | 115.3 | 169.5 | -71.8 | 173.2 | -174.1 | 0 | 0 | 109.7 | Q260 R264 | Q260-E262 PolarHBondContact O-N 3.1Å; E262-R264 PolarHBondContact O-N 3.22Å; E262-R264 IonicContact OE2-CZ 3.22Å; E262-R264 IonicContact OE2-NE 2.92Å; E262-R264 PolarHBondContact OE2-NE 3.22Å; E262-R264 IonicContact OE2-NH2 3.14Å; E262-R264 PolarHBondContact OE2-NH2 2.93Å |
| 263 | T | 33.6 | Very low | 37.4 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -77 | 106.1 | 171.1 | -61.7 | 0 | 0 | 0 | 0 | 109 | P261 | P261-T263 PolarHBondContact O-N 3.33Š|
| 264 | R | 29.1 | Very low | 36.1 | Very low | 165 Ų | 165 | 160.7 Ų | 160.7 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 117.6 | 175.2 | -65.5 | -177.5 | -179 | -176.2 | 0.4 | 110.2 | E262 Y266 | E262-R264 PolarHBondContact O-N 3.22Å; E262-R264 IonicContact OE2-CZ 3.22Å; E262-R264 IonicContact OE2-NE 2.92Å; E262-R264 PolarHBondContact OE2-NE 3.22Å; E262-R264 IonicContact OE2-NH2 3.14Å; E262-R264 PolarHBondContact OE2-NH2 2.93Å; R264-Y266 HydrophobicContact CB-CE2 3.88Å |
| 265 | V | 27 | Very low | 35.1 | Very low | 117 Ų | 117 | 161.2 Ų | 161.2 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 117.2 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 266 | Y | 28.7 | Very low | 34.1 | Very low | 162 Ų | 162 | 158.9 Ų | 158.9 | 64% | 0.635 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 117.1 | 174.8 | -66.1 | -85.6 | 0 | 0 | 0 | 110.3 | R264 | R264-Y266 HydrophobicContact CB-CE2 3.88Š|
| 267 | I | 28.9 | Very low | 33.3 | Very low | 148 Ų | 148 | 163 Ų | 163 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | trans | -94.7 | 107.4 | 171.6 | -57 | 175.2 | 0 | 0 | 0 | 107.9 | V269 | I267-V269 HydrophobicContact CG2-CG2 4.14Å; I267-V269 PolarHBondContact O-N 3.41Å |
| 268 | F | 27.7 | Very low | 32.5 | Very low | 180 Ų | 180 | 156 Ų | 156 | 79% | 0.789 | 73% | 0.725 | S | S | * | * | | | trans | -83.2 | 108.6 | 174.1 | -74.6 | -88 | 0 | 0 | 0 | 110.4 | | |
| 269 | V | 26.7 | Very low | 31.6 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 75% | 0.745 | 71% | 0.71 | S | S | * | * | | | trans | -98.6 | 94.6 | 169.7 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | I267 R271 | I267-V269 HydrophobicContact CG2-CG2 4.14Å; I267-V269 PolarHBondContact O-N 3.41Å; V269-R271 PolarHBondContact O-N 3.1Å |
| 270 | S | 28.5 | Very low | 31.1 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | | | trans | -74.3 | 107.4 | 174.4 | -68.6 | 0 | 0 | 0 | 0 | 110.4 | F272 | S270-F272 PolarHBondContact O-N 3.21Å; S270-F272 VanDerWaalsContact O-N 3.1Å |
| 271 | R | 27.8 | Very low | 30.8 | Very low | 229 Ų | 229 | 149.9 Ų | 149.9 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | | | trans | -70.5 | 98.4 | 166.3 | -78.2 | -176.6 | -178.4 | 166.7 | 0.4 | 109.1 | V269 R273 | V269-R271 PolarHBondContact O-N 3.1Å; R271-R273 VanDerWaalsContact C-N 3.33Å; R271-R273 PolarHBondContact O-N 2.98Å |
| 272 | F | 30 | Very low | 30.3 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | | | trans | -70.3 | 92.2 | 166.3 | -72.8 | -85.4 | 0 | 0 | 0 | 109.5 | S270 N274 F275 | S270-F272 PolarHBondContact O-N 3.21Å; S270-F272 VanDerWaalsContact O-N 3.1Å; F272-N274 PolarHBondContact O-N 3.05Å; F272-F275 HydrophobicContact CB-CD2 3.53Å; F272-F275 HydrophobicContact CB-CE2 3.45Å; F272-F275 VanDerWaalsContact CB-CE2 3.45Å; F272-F275 AromaticContact CD2-CE2 3.97Å; F272-F275 HydrophobicContact CD2-CE2 3.97Å; F272-F275 HydrophobicContact CG-CD2 4.35Å; F272-F275 AromaticContact CG-CE2 3.84Å; F272-F275 HydrophobicContact CG-CE2 3.84Å |
| 273 | R | 33.5 | Very low | 30.2 | Very low | 230 Ų | 230 | 146.6 Ų | 146.6 | 87% | 0.868 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 118.8 | 159.4 | -77.9 | -178.9 | 170.1 | 177.1 | -2.3 | 105.9 | R271 | R271-R273 VanDerWaalsContact C-N 3.33Å; R271-R273 PolarHBondContact O-N 2.98Å |
| 274 | N | 31.1 | Very low | 30 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 58% | 0.578 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.1 | 47.3 | 171.2 | -133.6 | -2.5 | 0 | 0 | 0 | 117.8 | F272 N276 R277 | F272-N274 PolarHBondContact O-N 3.05Å; N274-N276 PolarHBondContact O-N 3.47Å; N274-N276 VanDerWaalsContact O-N 3.16Å; N274-R277 PolarHBondContact O-N 2.95Å |
| 275 | F | 34.9 | Very low | 29.9 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 62% | 0.623 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -57.7 | -22.3 | 168.7 | -109.1 | -82.2 | 0 | 0 | 0 | 114.2 | F272 R277 I278 | F272-F275 HydrophobicContact CB-CD2 3.53Å; F272-F275 HydrophobicContact CB-CE2 3.45Å; F272-F275 VanDerWaalsContact CB-CE2 3.45Å; F272-F275 AromaticContact CD2-CE2 3.97Å; F272-F275 HydrophobicContact CD2-CE2 3.97Å; F272-F275 HydrophobicContact CG-CD2 4.35Å; F272-F275 AromaticContact CG-CE2 3.84Å; F272-F275 HydrophobicContact CG-CE2 3.84Å; F275-R277 PolarHBondContact O-N 2.98Å; F275-I278 HydrophobicContact CD1-CD1 4.43Å |
| 276 | N | 32.9 | Very low | 30.1 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -76.8 | 1.1 | -175.4 | -74.8 | -29.5 | 0 | 0 | 0 | 115 | N274 | N274-N276 PolarHBondContact O-N 3.47Å; N274-N276 VanDerWaalsContact O-N 3.16Å |
| 277 | R | 32.7 | Very low | 30.2 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -126.9 | 16.7 | -178.1 | -92.3 | -168.6 | 177.9 | -166.1 | 0.9 | 114.7 | N274 F275 P279 | N274-R277 PolarHBondContact O-N 2.95Å; F275-R277 PolarHBondContact O-N 2.98Å; R277-P279 WeakPolarHBondContact O-CD 3.48Å |
| 278 | I | 30.1 | Very low | 30.4 | Very low | 90 Ų | 90 | 141.4 Ų | 141.4 | 46% | 0.462 | 67% | 0.673 | S | S | . | * | | | trans | -91.1 | 103 | 177.9 | -53.4 | 176.6 | 0 | 0 | 0 | 108.9 | F275 F280 | F275-I278 HydrophobicContact CD1-CD1 4.43Å; I278-F280 PolarHBondContact O-N 3.46Å |
| 279 | P | 28.5 | Very low | 30.5 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 59% | 0.591 | 67% | 0.666 | S | S | * | * | | | trans | -64.3 | 122 | 172.1 | 26.1 | -33 | 0 | 0 | 0 | 109.2 | R277 R281 | R277-P279 WeakPolarHBondContact O-CD 3.48Å; P279-R281 PolarHBondContact O-N 2.99Å |
| 280 | F | 30.5 | Very low | 30.9 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 69% | 0.689 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -62.3 | 10.9 | 179.8 | -72.3 | -84.6 | 0 | 0 | 0 | 115.2 | V40 I278 T282 | V40-F280 HydrophobicContact CG1-CZ 4.23Å; V40-F280 HydrophobicContact CG2-CE1 4.4Å; V40-F280 HydrophobicContact CG2-CZ 4.48Å; I278-F280 PolarHBondContact O-N 3.46Å; F280-T282 VanDerWaalsContact C-N 3.34Å; F280-T282 PolarHBondContact O-N 3.31Å |
| 281 | R | 32.8 | Very low | 31.1 | Very low | 241 Ų | 241 | 137.8 Ų | 137.8 | 91% | 0.909 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -85.3 | 2.9 | -179.2 | -78.9 | -167.5 | 172 | -174.2 | -1.4 | 114.7 | P279 | P279-R281 PolarHBondContact O-N 2.99Š|
| 282 | T | 28.8 | Very low | 31.3 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 43% | 0.429 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -135.7 | 34.7 | -172 | -1.7 | 0 | 0 | 0 | 0 | 114.6 | F280 R284 R285 A286 | F280-T282 VanDerWaalsContact C-N 3.34Å; F280-T282 PolarHBondContact O-N 3.31Å; T282-R284 PolarHBondContact O-N 3.44Å; T282-R285 HydrophobicContact CG2-CB 3.62Å; T282-R285 PolarHBondContact O-N 3.42Å; T282-A286 PolarHBondContact O-N 3.33Å |
| 283 | V | 31.3 | Very low | 31.6 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 67% | 0.667 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -58.9 | -27.8 | 172.9 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | R285 | V283-R285 VanDerWaalsContact C-N 3.31Å; V283-R285 PolarHBondContact O-N 3Å |
| 284 | R | 28.9 | Very low | 31.6 | Very low | 238 Ų | 238 | 127.9 Ų | 127.9 | 90% | 0.898 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.3 | -21.3 | 172.5 | -74 | -171.2 | 177.3 | -176.5 | -0.5 | 114.6 | T282 | T282-R284 PolarHBondContact O-N 3.44Å |
| 285 | R | 27.4 | Very low | 31.7 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -94.3 | -19.7 | 179.3 | -166.8 | -179.2 | -91.1 | -166.4 | -5.9 | 112.8 | T282 V283 S288 Y289 | T282-R285 HydrophobicContact CG2-CB 3.62Å; T282-R285 PolarHBondContact O-N 3.42Å; V283-R285 VanDerWaalsContact C-N 3.31Å; V283-R285 PolarHBondContact O-N 3Å; R285-S288 WeakPolarHBondContact CA-OG 3.46Å; R285-S288 PolarHBondContact O-N 3.33Å; R285-S288 PolarHBondContact O-OG 2.85Å; R285-Y289 PolarHBondContact O-N 3.37Å |
| 286 | A | 30.8 | Very low | 31.7 | Very low | 66 Ų | 66 | 129 Ų | 129 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.3 | -34.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T282 S288 Y289 G290 | T282-A286 PolarHBondContact O-N 3.33Å; A286-S288 VanDerWaalsContact C-N 3.32Å; A286-S288 PolarHBondContact O-N 2.87Å; A286-Y289 PolarHBondContact O-N 2.89Å; A286-G290 PolarHBondContact O-N 3.31Å |
| 287 | A | 31.1 | Very low | 31.7 | Very low | 63 Ų | 63 | 126.3 Ų | 126.3 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.3 | -38.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G290 E291 | A287-G290 PolarHBondContact O-N 3.19Å; A287-E291 WeakPolarHBondContact O-CB 3.45Å; A287-E291 WeakPolarHBondContact O-CG 3.43Å; A287-E291 PolarHBondContact O-N 3.41Å |
| 288 | S | 31.6 | Very low | 31.5 | Very low | 60 Ų | 60 | 123 Ų | 123 | 42% | 0.42 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.9 | -32.2 | 176.6 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | R285 A286 Q292 | R285-S288 WeakPolarHBondContact CA-OG 3.46Å; R285-S288 PolarHBondContact O-N 3.33Å; R285-S288 PolarHBondContact O-OG 2.85Å; A286-S288 VanDerWaalsContact C-N 3.32Å; A286-S288 PolarHBondContact O-N 2.87Å; S288-Q292 WeakPolarHBondContact O-CB 3.42Å; S288-Q292 PolarHBondContact O-N 2.93Å |
| 289 | Y | 30.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 66% | 0.659 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.9 | -34.7 | 174.8 | -128.2 | -91.7 | 0 | 0 | 0 | 111.7 | R285 A286 V293 | R285-Y289 PolarHBondContact O-N 3.37Å; A286-Y289 PolarHBondContact O-N 2.89Å; Y289-V293 WeakPolarHBondContact O-CG2 3.39Å; Y289-V293 PolarHBondContact O-N 3.49Å |
| 290 | G | 35.1 | Very low | 31.6 | Very low | 45 Ų | 45 | 125.5 Ų | 125.5 | 46% | 0.464 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.3 | -33.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A286 A287 R294 | A286-G290 PolarHBondContact O-N 3.31Å; A287-G290 PolarHBondContact O-N 3.19Å; G290-R294 WeakPolarHBondContact O-CB 3.43Å; G290-R294 PolarHBondContact O-N 2.75Å |
| 291 | E | 33.5 | Very low | 31.4 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 47% | 0.472 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.6 | -39.9 | 171.2 | -86.9 | -97.5 | 127.9 | 0 | 0 | 112.5 | A287 V293 R294 N295 | A287-E291 WeakPolarHBondContact O-CB 3.45Å; A287-E291 WeakPolarHBondContact O-CG 3.43Å; A287-E291 PolarHBondContact O-N 3.41Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 3.28Å; E291-R294 WeakPolarHBondContact O-CA 3.33Å; E291-R294 WeakPolarHBondContact O-CB 3.02Å; E291-R294 PolarHBondContact O-N 3.24Å; E291-R294 IonicContact OE1-NH1 3.31Å; E291-N295 PolarHBondContact O-N 3.22Å; E291-N295 PolarHBondContact O-ND2 3.47Å |
| 292 | Q | 32.2 | Very low | 31.3 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 62% | 0.621 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.4 | -33.5 | -178.6 | -158.8 | 156.6 | 41.2 | 0 | 0 | 112.5 | S288 R294 | S288-Q292 WeakPolarHBondContact O-CB 3.42Å; S288-Q292 PolarHBondContact O-N 2.93Å; Q292-R294 VanDerWaalsContact C-N 3.31Å |
| 293 | V | 34.5 | Very low | 31.3 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 61% | 0.606 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.6 | -21.4 | 171.5 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | Y289 E291 | Y289-V293 WeakPolarHBondContact O-CG2 3.39Å; Y289-V293 PolarHBondContact O-N 3.49Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 3.28Å |
| 294 | R | 34 | Very low | 31.2 | Very low | 155 Ų | 155 | 128 Ų | 128 | 59% | 0.585 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.6 | -20.5 | -179.5 | -136.5 | 175.1 | -177.4 | -165.4 | 1.1 | 113.7 | G290 E291 Q292 P299 | G290-R294 WeakPolarHBondContact O-CB 3.43Å; G290-R294 PolarHBondContact O-N 2.75Å; E291-R294 WeakPolarHBondContact O-CA 3.33Å; E291-R294 WeakPolarHBondContact O-CB 3.02Å; E291-R294 PolarHBondContact O-N 3.24Å; E291-R294 IonicContact OE1-NH1 3.31Å; Q292-R294 VanDerWaalsContact C-N 3.31Å; R294-P299 HydrophobicContact CG-CG 4.09Å |
| 295 | N | 34.4 | Very low | 31.1 | Very low | 126 Ų | 126 | 127 Ų | 127 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -88.1 | -19.6 | -177 | -70.8 | -54.2 | 0 | 0 | 0 | 113.5 | E291 | E291-N295 PolarHBondContact O-N 3.22Å; E291-N295 PolarHBondContact O-ND2 3.47Å |
| 296 | D | 34.3 | Very low | 31.1 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -96.1 | -5.5 | -178.4 | -72.9 | -24 | 0 | 0 | 0 | 113.8 | | |
| 297 | V | 32.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 62% | 0.618 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -145.4 | 108.7 | -178.8 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | P299 | V297-P299 WeakPolarHBondContact O-CD 3.25Š|
| 298 | T | 28.5 | Very low | 31 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 87% | 0.871 | 67% | 0.673 | S | S | * | * | | | trans | -48.8 | 106.1 | 175.3 | -44.1 | 0 | 0 | 0 | 0 | 110.9 | L300 | T298-L300 PolarHBondContact O-N 3.16Š|
| 299 | P | 32.1 | Very low | 30.7 | Very low | 73 Ų | 73 | 137 Ų | 137 | 47% | 0.474 | 69% | 0.69 | S | S | . | * | | | trans | -90.6 | 110 | -175.3 | 25.3 | -14.8 | 0 | 0 | 0 | 109.4 | R294 V297 R301 | R294-P299 HydrophobicContact CG-CG 4.09Å; V297-P299 WeakPolarHBondContact O-CD 3.25Å; P299-R301 PolarHBondContact O-N 2.98Å |
| 300 | L | 27.9 | Very low | 30.8 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | | | trans | -47.7 | 113.6 | 157.6 | -85.2 | 156.7 | 0 | 0 | 0 | 108 | T298 L302 | T298-L300 PolarHBondContact O-N 3.16Å; L300-L302 VanDerWaalsContact C-N 3.3Å; L300-L302 PolarHBondContact O-N 2.99Å |
| 301 | R | 27.3 | Very low | 30.8 | Very low | 247 Ų | 247 | 143.2 Ų | 143.2 | 93% | 0.932 | 72% | 0.722 | S | S | * | * | | | trans | -64.3 | 85 | 178.6 | -75 | -174.3 | 174.6 | -171.7 | 0.3 | 110 | P299 | P299-R301 PolarHBondContact O-N 2.98Š|
| 302 | L | 29.9 | Very low | 30.7 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | | | trans | -102.9 | 88.9 | 169.7 | -136.8 | 75.6 | 0 | 0 | 0 | 109.1 | L300 F304 | L300-L302 VanDerWaalsContact C-N 3.3Å; L300-L302 PolarHBondContact O-N 2.99Å; L302-F304 HydrophobicContact CB-CE2 4.49Å; L302-F304 HydrophobicContact CD2-CE1 4.2Å; L302-F304 HydrophobicContact CD2-CE2 4.4Å; L302-F304 HydrophobicContact CD2-CZ 3.83Å; L302-F304 PolarHBondContact O-N 3.04Å |
| 303 | G | 29.2 | Very low | 30.6 | Very low | 75 Ų | 75 | 146 Ų | 146 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | -76.1 | 109.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | R305 | G303-R305 PolarHBondContact O-N 3.48Š|
| 304 | F | 28.3 | Very low | 30.4 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | | | trans | -76 | 109.9 | 174.5 | -67.4 | -85.2 | 0 | 0 | 0 | 109.9 | L302 | L302-F304 HydrophobicContact CB-CE2 4.49Å; L302-F304 HydrophobicContact CD2-CE1 4.2Å; L302-F304 HydrophobicContact CD2-CE2 4.4Å; L302-F304 HydrophobicContact CD2-CZ 3.83Å; L302-F304 PolarHBondContact O-N 3.04Å |
| 305 | R | 27.2 | Very low | 30.2 | Very low | 216 Ų | 216 | 148.2 Ų | 148.2 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | | | trans | -89.9 | 101 | 167.1 | -163.7 | 179.5 | -169.4 | -174.9 | 3 | 107.4 | G303 V307 | G303-R305 PolarHBondContact O-N 3.48Å; R305-V307 HydrophobicContact CG-CG2 4.43Å; R305-V307 PolarHBondContact O-N 2.81Å; R305-V307 VanDerWaalsContact O-N 3.14Å |
| 306 | L | 28.3 | Very low | 29.9 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | | | trans | -71.4 | 103.7 | 173.8 | -165 | 78.9 | 0 | 0 | 0 | 108.3 | L308 | L306-L308 HydrophobicContact CD2-CD1 3.51Å; L306-L308 HydrophobicContact CG-CD1 3.91Å |
| 307 | V | 29.6 | Very low | 29.6 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | trans | -93.1 | 102.6 | 171 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | R305 | R305-V307 HydrophobicContact CG-CG2 4.43Å; R305-V307 PolarHBondContact O-N 2.81Å; R305-V307 VanDerWaalsContact O-N 3.14Å |
| 308 | L | 28.9 | Very low | 29.4 | Very low | 128 Ų | 128 | 153.2 Ų | 153.2 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | | | trans | -82.5 | 115 | 163.2 | -89.4 | 100.3 | 0 | 0 | 0 | 108.3 | L306 | L306-L308 HydrophobicContact CD2-CD1 3.51Å; L306-L308 HydrophobicContact CG-CD1 3.91Å |
| 309 | R | 26.8 | Very low | 29.4 | Very low | 202 Ų | 202 | 154.1 Ų | 154.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | trans | -86.3 | 122.9 | 160 | -177.6 | 175.9 | 173.7 | 149.8 | -0.8 | 107.2 | D311 | R309-D311 IonicContact CZ-OD1 3.69Å; R309-D311 IonicContact NE-OD1 2.96Å; R309-D311 PolarHBondContact NE-OD1 2.89Å; R309-D311 IonicContact NH2-OD1 3.4Å; R309-D311 PolarHBondContact NH2-OD1 3.4Å |
| 310 | I | 32.8 | Very low | 29.2 | Very low | 151 Ų | 151 | 160.8 Ų | 160.8 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | | | trans | -107.1 | 115.8 | 167.6 | -56.9 | 175.1 | 0 | 0 | 0 | 104.1 | | |
| 311 | D | 34.3 | Very low | 29.3 | Very low | 192 Ų | 192 | 160.9 Ų | 160.9 | 100% | 1.027 | 78% | 0.784 | S | S | * | * | | | trans | -77.9 | 0 | 165.4 | -78.1 | -35.3 | 0 | 0 | 0 | 110 | R309 | R309-D311 IonicContact CZ-OD1 3.69Å; R309-D311 IonicContact NE-OD1 2.96Å; R309-D311 PolarHBondContact NE-OD1 2.89Å; R309-D311 IonicContact NH2-OD1 3.4Å; R309-D311 PolarHBondContact NH2-OD1 3.4Å |