| 1 | M | 40.4 | Very low | 38.8 | Very low | 253 Ų | 253 | 166.5 Ų | 166.5 | 100% | 1.246 | 84% | 0.837 | S | S | * | * | | | | 0 | 95.5 | 0 | -86.8 | 167.4 | 154.9 | 0 | 0 | 107.4 | | |
| 2 | E | 38.4 | Very low | 38.2 | Very low | 156 Ų | 156 | 160.3 Ų | 160.3 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | | | trans | -87.4 | 146.4 | 166.4 | -64.7 | 169.1 | 93 | 0 | 0 | 109.1 | Q4 | E2-Q4 HydrophobicContact CB-CG 4.42Š|
| 3 | M | 39.3 | Very low | 38.1 | Very low | 183 Ų | 183 | 164.6 Ų | 164.6 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | -145.7 | 79.1 | 151.5 | -69.6 | -65.6 | -104.2 | 0 | 0 | 104.4 | | |
| 4 | Q | 37.1 | Very low | 37.9 | Very low | 150 Ų | 150 | 166.2 Ų | 166.2 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | | | | 52.4 | 103.3 | 91.7 | -69.8 | -176.8 | 1.8 | 0 | 0 | 113.6 | E2 | E2-Q4 HydrophobicContact CB-CG 4.42Š|
| 5 | S | 43.6 | Very low | 38.2 | Very low | 111 Ų | 111 | 163.5 Ų | 163.5 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -54.2 | 167.6 | 151.8 | -36.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 6 | P | 49 | Very low | 38.2 | Very low | 120 Ų | 120 | 167.9 Ų | 167.9 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | | -144.2 | 157.9 | 109 | 35.4 | -21.3 | 0 | 0 | 0 | 116.7 | | |
| 7 | I | 42.1 | Very low | 38.4 | Very low | 160 Ų | 160 | 166.6 Ų | 166.6 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | | | trans | -79.2 | 134.5 | 164.6 | -63 | 151.7 | 0 | 0 | 0 | 109.1 | | |
| 8 | V | 35.2 | Very low | 38.7 | Very low | 125 Ų | 125 | 171.3 Ų | 171.3 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | | | trans | -146.8 | 104.5 | 156.3 | -175.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 9 | Q | 33.5 | Very low | 38.6 | Very low | 170 Ų | 170 | 166.1 Ų | 166.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | | 85.2 | 99.5 | 67 | -161.9 | 177.9 | 37.4 | 0 | 0 | 113.9 | | |
| 10 | R | 36 | Very low | 39 | Very low | 207 Ų | 207 | 164.4 Ų | 164.4 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | | | trans | 1.5 | 127.4 | 144.7 | -177.9 | -175.6 | -173 | 174.8 | 3.2 | 117.1 | E12 | R10-E12 IonicContact CZ-OE2 3.81Å; R10-E12 IonicContact NE-OE2 3.75Å; R10-E12 IonicContact NH2-OE2 2.98Å; R10-E12 PolarHBondContact NH2-OE2 3.43Å |
| 11 | Q | 32.3 | Very low | 39.1 | Very low | 197 Ų | 197 | 163.1 Ų | 163.1 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -141 | 146.8 | 140.2 | -149.3 | 166 | 18.8 | 0 | 0 | 113.1 | | |
| 12 | E | 31.8 | Very low | 39.5 | Very low | 91 Ų | 91 | 162.3 Ų | 162.3 | 43% | 0.425 | 80% | 0.797 | S | S | . | * | | | trans | -132 | 140.6 | -166.4 | 161.8 | -173.9 | 168.9 | 0 | 0 | 107.5 | R10 | R10-E12 IonicContact CZ-OE2 3.81Å; R10-E12 IonicContact NE-OE2 3.75Å; R10-E12 IonicContact NH2-OE2 2.98Å; R10-E12 PolarHBondContact NH2-OE2 3.43Å |
| 13 | R | 36.8 | Very low | 40 | Very low | 217 Ų | 217 | 160.4 Ų | 160.4 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | | | trans | 68.7 | 145.6 | 179.9 | -60 | 157.2 | -155.5 | -141.8 | 6.3 | 113.3 | | |
| 14 | Q | 35.3 | Very low | 40.4 | Very low | 187 Ų | 187 | 161.5 Ų | 161.5 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | | -161.7 | 151.8 | 54.6 | -162.7 | 173 | 8 | 0 | 0 | 114.3 | | |
| 15 | V | 42.9 | Very low | 40.8 | Very low | 125 Ų | 125 | 158.6 Ų | 158.6 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | | | trans | -70.9 | 133.9 | 168.4 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 16 | R | 37 | Very low | 41 | Very low | 234 Ų | 234 | 161.3 Ų | 161.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -168.1 | 107.5 | 134.9 | -109.7 | 175.4 | -169.6 | -165.9 | 3.3 | 114.5 | | |
| 17 | D | 42.2 | Very low | 40.9 | Very low | 146 Ų | 146 | 165 Ų | 165 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | | | trans | 4.7 | 125.8 | 133.7 | -175.6 | 23.3 | 0 | 0 | 0 | 118.5 | | |
| 18 | R | 44.4 | Very low | 41.3 | Very low | 251 Ų | 251 | 163.1 Ų | 163.1 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | | | trans | -164.9 | 123.1 | 149.6 | -115.7 | 176.3 | -176.5 | -174.5 | 0.8 | 112.9 | | |
| 19 | G | 37 | Very low | 42.3 | Very low | 72 Ų | 72 | 167 Ų | 167 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | 104.5 | 85.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 20 | V | 44.8 | Very low | 43.2 | Very low | 133 Ų | 133 | 163.7 Ų | 163.7 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | -61.7 | 129.6 | 161.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 21 | T | 42.5 | Very low | 43.9 | Very low | 137 Ų | 137 | 159.1 Ų | 159.1 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | | | trans | -134.1 | 141 | 145 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 22 | R | 48.7 | Very low | 44.9 | Very low | 236 Ų | 236 | 155.2 Ų | 155.2 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -86.6 | 134.3 | -175 | -65.1 | 171.2 | 170.3 | 177.3 | -4.3 | 110.4 | | |
| 23 | S | 49 | Very low | 46.1 | Very low | 116 Ų | 116 | 156.1 Ų | 156.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -135.9 | 106.6 | 161.8 | -66.6 | 0 | 0 | 0 | 0 | 110.3 | A25 | S23-A25 PolarHBondContact O-N 3.26Š|
| 24 | K | 48 | Very low | 47.3 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | | | trans | -73.8 | 102.2 | 178.4 | -177.9 | -175.3 | -178.9 | -176.3 | 0 | 109.4 | | |
| 25 | A | 43.9 | Very low | 48.4 | Very low | 88 Ų | 88 | 147.6 Ų | 147.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -138.4 | 75.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S23 K27 | S23-A25 PolarHBondContact O-N 3.26Å; A25-K27 PolarHBondContact O-N 3.33Å |
| 26 | E | 49.2 | Very low | 49.5 | Very low | 169 Ų | 169 | 147 Ų | 147 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -68.9 | 77.2 | 172.6 | -172.6 | 179.5 | 161 | 0 | 0 | 109.5 | V28 | E26-V28 PolarHBondContact O-N 3.3Š|
| 27 | K | 46.8 | Very low | 50.8 | Low | 197 Ų | 197 | 142.9 Ų | 142.9 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | trans | -83.1 | 95 | 173.8 | -167.8 | 169.5 | -175.3 | 177.9 | 0 | 108 | A25 R29 | A25-K27 PolarHBondContact O-N 3.33Å; K27-R29 PolarHBondContact O-N 3.2Å |
| 28 | V | 50.1 | Low | 52.3 | Low | 120 Ų | 120 | 139.9 Ų | 139.9 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -40.4 | 108.2 | 175 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | E26 | E26-V28 PolarHBondContact O-N 3.3Š|
| 29 | R | 56.8 | Low | 53.9 | Low | 208 Ų | 208 | 131.1 Ų | 131.1 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.7 | 165.9 | -162.6 | 174.8 | -166.1 | 147.5 | 1.3 | 105.5 | K27 | K27-R29 PolarHBondContact O-N 3.2Š|
| 30 | P | 51 | Low | 55.8 | Low | 99 Ų | 99 | 131.4 Ų | 131.4 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -55 | 143.8 | 171.8 | 26.1 | -33.8 | 0 | 0 | 0 | 107.7 | T32 | P30-T32 PolarHBondContact O-N 3.3Š|
| 31 | P | 50.8 | Low | 57.4 | Low | 111 Ų | 111 | 127.9 Ų | 127.9 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 116.2 | 176.9 | 24.3 | -32.5 | 0 | 0 | 0 | 107.3 | V33 | P31-V33 PolarHBondContact O-N 2.86Š|
| 32 | T | 53.9 | Low | 59 | Low | 116 Ų | 116 | 126.5 Ų | 126.5 | 71% | 0.712 | 69% | 0.685 | S | S | * | * | | | trans | -64.5 | 91.8 | 164.8 | -57.2 | 0 | 0 | 0 | 0 | 105 | P30 P34 | P30-T32 PolarHBondContact O-N 3.3Å; T32-P34 WeakPolarHBondContact O-CD 3.42Å |
| 33 | V | 56.5 | Low | 60.2 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 67% | 0.667 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -52 | 117.5 | 168.2 | 176.7 | 0 | 0 | 0 | 0 | 104.8 | P31 V35 | P31-V33 PolarHBondContact O-N 2.86Å; V33-V35 PolarHBondContact O-N 3.24Å |
| 34 | P | 62 | Low | 61.6 | Low | 103 Ų | 103 | 123 Ų | 123 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 130.8 | 176.4 | 23.9 | -31.7 | 0 | 0 | 0 | 106.7 | T32 | T32-P34 WeakPolarHBondContact O-CD 3.42Š|
| 35 | V | 59.8 | Low | 63.1 | Low | 122 Ų | 122 | 115.3 Ų | 115.3 | 74% | 0.739 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 129.6 | 171.6 | 174.9 | 0 | 0 | 0 | 0 | 106.5 | V33 Q37 | V33-V35 PolarHBondContact O-N 3.24Å; V35-Q37 PolarHBondContact O-N 2.96Å |
| 36 | P | 64.7 | Low | 65.2 | Low | 111 Ų | 111 | 112.9 Ų | 112.9 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | | | trans | -56.8 | 102.3 | -179 | -24.8 | 34.2 | 0 | 0 | 0 | 109.3 | V38 | P36-V38 PolarHBondContact O-N 3.04Å; P36-V38 VanDerWaalsContact O-N 3.17Å |
| 37 | Q | 65.1 | Low | 67.1 | Low | 149 Ų | 149 | 109.5 Ų | 109.5 | 70% | 0.696 | 60% | 0.603 | S | S | * | * | | | trans | -71.4 | 110.6 | 169.7 | -72 | 179.4 | -32.1 | 0 | 0 | 104.7 | V35 D39 | V35-Q37 PolarHBondContact O-N 2.96Å; Q37-D39 VanDerWaalsContact C-N 3.29Å; Q37-D39 PolarHBondContact O-N 3.31Å |
| 38 | V | 73.5 | Confident | 69 | Low | 83 Ų | 83 | 103.4 Ų | 103.4 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | | | trans | -73.4 | 94.3 | 176 | -178 | 0 | 0 | 0 | 0 | 106 | P36 I40 E47 | P36-V38 PolarHBondContact O-N 3.04Å; P36-V38 VanDerWaalsContact O-N 3.17Å; V38-I40 PolarHBondContact O-N 3.05Å; V38-E47 HydrophobicContact CB-CB 4.42Å; V38-E47 WeakPolarHBondContact O-CB 3.43Å; V38-E47 PolarHBondContact O-N 3.24Å |
| 39 | D | 77.2 | Confident | 70.9 | Confident | 66 Ų | 66 | 102.2 Ų | 102.2 | 35% | 0.353 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.6 | 112.3 | 172.2 | -80.6 | 4.7 | 0 | 0 | 0 | 108.5 | Q37 V41 P42 G43 | Q37-D39 VanDerWaalsContact C-N 3.29Å; Q37-D39 PolarHBondContact O-N 3.31Å; D39-V41 VanDerWaalsContact C-N 3.29Å; D39-P42 WeakPolarHBondContact OD2-CA 3.37Å; D39-G43 PolarHBondContact OD2-N 2.94Å |
| 40 | I | 76.6 | Confident | 72.5 | Confident | 79 Ų | 79 | 98.1 Ų | 98.1 | 41% | 0.405 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.5 | -35.8 | 172 | -62.4 | -179.2 | 0 | 0 | 0 | 109.3 | V38 L45 E47 W50 | V38-I40 PolarHBondContact O-N 3.05Å; I40-L45 HydrophobicContact CB-CD2 4Å; I40-L45 HydrophobicContact CG2-CD2 4.3Å; I40-L45 PolarHBondContact N-O 3.43Å; I40-L45 VanDerWaalsContact N-O 3.15Å; I40-E47 HydrophobicContact CD1-CB 4.28Å; I40-E47 HydrophobicContact CD1-CG 4.46Å; I40-E47 HydrophobicContact CG1-CB 4.36Å; I40-W50 HydrophobicContact CD1-CB 3.58Å; I40-W50 HydrophobicContact CD1-CD2 3.62Å; I40-W50 HydrophobicContact CD1-CE3 3.56Å; I40-W50 HydrophobicContact CD1-CG 3.63Å; I40-W50 HydrophobicContact CD1-CZ3 4.49Å |
| 41 | V | 78.5 | Confident | 74.5 | Confident | 59 Ų | 59 | 98 Ų | 98 | 36% | 0.358 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.3 | 111.1 | 165.3 | -174 | 0 | 0 | 0 | 0 | 108.6 | D39 G43 R44 L45 | D39-V41 VanDerWaalsContact C-N 3.29Å; V41-G43 PolarHBondContact O-N 3.13Å; V41-R44 HydrophobicContact CB-CB 4.24Å; V41-R44 HydrophobicContact CG1-CB 3.91Å; V41-R44 HydrophobicContact CG1-CG 4.37Å; V41-R44 PolarHBondContact O-N 2.85Å; V41-L45 HydrophobicContact CB-CB 4.19Å; V41-L45 HydrophobicContact CG2-CB 4.44Å; V41-L45 PolarHBondContact N-O 2.94Å; V41-L45 VanDerWaalsContact N-O 3.13Å; V41-L45 PolarHBondContact O-N 3.35Å; V41-L45 VanDerWaalsContact O-N 3.12Å |
| 42 | P | 77.1 | Confident | 76.5 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.9 | 119.3 | -175.7 | -32.9 | 36.8 | 0 | 0 | 0 | 113.9 | D39 R44 | D39-P42 WeakPolarHBondContact OD2-CA 3.37Å; P42-R44 PolarHBondContact O-N 3.12Å |
| 43 | G | 74.6 | Confident | 78.3 | Confident | 73 Ų | 73 | 95 Ų | 95 | 75% | 0.753 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 15.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116 | D39 V41 | D39-G43 PolarHBondContact OD2-N 2.94Å; V41-G43 PolarHBondContact O-N 3.13Å |
| 44 | R | 78.1 | Confident | 80 | Confident | 206 Ų | 206 | 91.1 Ų | 91.1 | 78% | 0.777 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | -31.1 | 178.7 | -67.2 | -167.6 | 67.5 | -130.7 | -5.1 | 115.4 | V41 P42 | V41-R44 HydrophobicContact CB-CB 4.24Å; V41-R44 HydrophobicContact CG1-CB 3.91Å; V41-R44 HydrophobicContact CG1-CG 4.37Å; V41-R44 PolarHBondContact O-N 2.85Å; P42-R44 PolarHBondContact O-N 3.12Å |
| 45 | L | 79.3 | Confident | 81.6 | Confident | 45 Ų | 45 | 89 Ų | 89 | 24% | 0.236 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 112.6 | -174.8 | -173.5 | 132.8 | 0 | 0 | 0 | 109.5 | I40 V41 E49 W50 L53 | I40-L45 HydrophobicContact CB-CD2 4Å; I40-L45 HydrophobicContact CG2-CD2 4.3Å; I40-L45 PolarHBondContact N-O 3.43Å; I40-L45 VanDerWaalsContact N-O 3.15Å; V41-L45 HydrophobicContact CB-CB 4.19Å; V41-L45 HydrophobicContact CG2-CB 4.44Å; V41-L45 PolarHBondContact N-O 2.94Å; V41-L45 VanDerWaalsContact N-O 3.13Å; V41-L45 PolarHBondContact O-N 3.35Å; V41-L45 VanDerWaalsContact O-N 3.12Å; L45-E49 WeakPolarHBondContact CA-OE2 3.37Å; L45-W50 HydrophobicContact CD2-CB 3.72Å; L45-W50 HydrophobicContact CD2-CG 4.25Å; L45-L53 HydrophobicContact CD1-CD1 4.21Å |
| 46 | N | 88.3 | Confident | 83.3 | Confident | 36 Ų | 36 | 87.9 Ų | 87.9 | 19% | 0.193 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 162.2 | 176.5 | 70.1 | 65.7 | 0 | 0 | 0 | 111.7 | A48 E49 W50 | N46-A48 VanDerWaalsContact C-N 3.26Å; N46-A48 PolarHBondContact O-N 3.06Å; N46-A48 WeakPolarHBondContact OD1-CA 3.48Å; N46-A48 WeakPolarHBondContact OD1-CB 3.34Å; N46-A48 PolarHBondContact OD1-N 3.07Å; N46-E49 PolarHBondContact N-OE2 3.14Å; N46-E49 WeakPolarHBondContact ND2-CG 3.21Å; N46-E49 PolarHBondContact ND2-OE1 3.45Å; N46-E49 PolarHBondContact ND2-OE2 3.16Å; N46-E49 VanDerWaalsContact ND2-OE2 3.16Å; N46-E49 PolarHBondContact O-N 3.21Å; N46-E49 PolarHBondContact OD1-N 2.61Å; N46-W50 PolarHBondContact O-N 3.26Å |
| 47 | E | 87.9 | Confident | 84.7 | Confident | 98 Ų | 98 | 88.6 Ų | 88.6 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -54.8 | -37.5 | 179.4 | -177.5 | 177.5 | -159.4 | 0 | 0 | 113.5 | V38 I40 W50 M51 | V38-E47 HydrophobicContact CB-CB 4.42Å; V38-E47 WeakPolarHBondContact O-CB 3.43Å; V38-E47 PolarHBondContact O-N 3.24Å; I40-E47 HydrophobicContact CD1-CB 4.28Å; I40-E47 HydrophobicContact CD1-CG 4.46Å; I40-E47 HydrophobicContact CG1-CB 4.36Å; E47-W50 PolarHBondContact O-N 2.86Å; E47-M51 WeakPolarHBondContact O-CB 3.13Å; E47-M51 VanDerWaalsContact O-CG 3.3Å; E47-M51 WeakPolarHBondContact O-CG 3.21Å; E47-M51 PolarHBondContact O-N 3.16Å |
| 48 | A | 87.8 | Confident | 86.1 | Confident | 69 Ų | 69 | 87.2 Ų | 87.2 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.8 | -34.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | N46 A52 | N46-A48 VanDerWaalsContact C-N 3.26Å; N46-A48 PolarHBondContact O-N 3.06Å; N46-A48 WeakPolarHBondContact OD1-CA 3.48Å; N46-A48 WeakPolarHBondContact OD1-CB 3.34Å; N46-A48 PolarHBondContact OD1-N 3.07Å; A48-A52 VanDerWaalsContact O-CB 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 2.92Å |
| 49 | E | 89.9 | Confident | 87.2 | Confident | 96 Ų | 96 | 84.9 Ų | 84.9 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 171.3 | -75.6 | 163.6 | -179.5 | 0 | 0 | 111.5 | L45 N46 A52 L53 | L45-E49 WeakPolarHBondContact CA-OE2 3.37Å; N46-E49 PolarHBondContact N-OE2 3.14Å; N46-E49 WeakPolarHBondContact ND2-CG 3.21Å; N46-E49 PolarHBondContact ND2-OE1 3.45Å; N46-E49 PolarHBondContact ND2-OE2 3.16Å; N46-E49 VanDerWaalsContact ND2-OE2 3.16Å; N46-E49 PolarHBondContact O-N 3.21Å; N46-E49 PolarHBondContact OD1-N 2.61Å; E49-A52 PolarHBondContact O-N 3.27Å; E49-L53 WeakPolarHBondContact O-CG 3.31Å; E49-L53 PolarHBondContact O-N 3.06Å |
| 50 | W | 90.2 | Very high | 88.1 | Confident | 121 Ų | 121 | 87.8 Ų | 87.8 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -52 | 174.6 | -174.8 | 59.4 | 0 | 0 | 0 | 112 | I40 L45 N46 E47 A52 L53 T54 | I40-W50 HydrophobicContact CD1-CB 3.58Å; I40-W50 HydrophobicContact CD1-CD2 3.62Å; I40-W50 HydrophobicContact CD1-CE3 3.56Å; I40-W50 HydrophobicContact CD1-CG 3.63Å; I40-W50 HydrophobicContact CD1-CZ3 4.49Å; L45-W50 HydrophobicContact CD2-CB 3.72Å; L45-W50 HydrophobicContact CD2-CG 4.25Å; N46-W50 PolarHBondContact O-N 3.26Å; E47-W50 PolarHBondContact O-N 2.86Å; W50-A52 PolarHBondContact O-N 2.83Å; W50-L53 WeakPolarHBondContact O-CB 3.37Å; W50-L53 PolarHBondContact O-N 2.75Å; W50-T54 PolarHBondContact O-N 3.12Å; W50-T54 PolarHBondContact O-OG1 3.14Å |
| 51 | M | 91.9 | Very high | 89 | Confident | 98 Ų | 98 | 89.2 Ų | 89.2 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -32.3 | 177 | -69.2 | -58.2 | -55.7 | 0 | 0 | 112.1 | E47 A55 | E47-M51 WeakPolarHBondContact O-CB 3.13Å; E47-M51 VanDerWaalsContact O-CG 3.3Å; E47-M51 WeakPolarHBondContact O-CG 3.21Å; E47-M51 PolarHBondContact O-N 3.16Å; M51-A55 WeakPolarHBondContact O-CB 3.39Å; M51-A55 PolarHBondContact O-N 3.36Å |
| 52 | A | 92.8 | Very high | 89.9 | Confident | 63 Ų | 63 | 90.4 Ų | 90.4 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.9 | -33.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A48 E49 W50 L56 | A48-A52 VanDerWaalsContact O-CB 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 2.92Å; E49-A52 PolarHBondContact O-N 3.27Å; W50-A52 PolarHBondContact O-N 2.83Å; A52-L56 WeakPolarHBondContact O-CB 3.48Å; A52-L56 PolarHBondContact O-N 2.77Å; A52-L56 VanDerWaalsContact O-N 3.15Å |
| 53 | L | 92.3 | Very high | 90.9 | Very high | 99 Ų | 99 | 89.7 Ų | 89.7 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.2 | -44.5 | 173.1 | -71.5 | 169.9 | 0 | 0 | 0 | 111.4 | L45 E49 W50 L56 E57 | L45-L53 HydrophobicContact CD1-CD1 4.21Å; E49-L53 WeakPolarHBondContact O-CG 3.31Å; E49-L53 PolarHBondContact O-N 3.06Å; W50-L53 WeakPolarHBondContact O-CB 3.37Å; W50-L53 PolarHBondContact O-N 2.75Å; L53-L56 WeakPolarHBondContact O-CB 3.41Å; L53-L56 PolarHBondContact O-N 3.42Å; L53-L56 VanDerWaalsContact O-N 3.16Å; L53-E57 PolarHBondContact O-N 3.16Å |
| 54 | T | 93.2 | Very high | 92 | Very high | 30 Ų | 30 | 88 Ų | 88 | 18% | 0.184 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | W50 L56 E57 E58 | W50-T54 PolarHBondContact O-N 3.12Å; W50-T54 PolarHBondContact O-OG1 3.14Å; T54-L56 PolarHBondContact O-N 2.92Å; T54-E57 PolarHBondContact O-N 3.26Å; T54-E58 HydrophobicContact CG2-CG 4.45Å; T54-E58 WeakPolarHBondContact O-CB 3.34Å; T54-E58 WeakPolarHBondContact O-CG 3.17Å; T54-E58 PolarHBondContact O-N 2.87Å |
| 55 | A | 94.4 | Very high | 92.9 | Very high | 59 Ų | 59 | 83.9 Ų | 83.9 | 49% | 0.488 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.8 | -22.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M51 G59 | M51-A55 WeakPolarHBondContact O-CB 3.39Å; M51-A55 PolarHBondContact O-N 3.36Å; A55-G59 PolarHBondContact O-N 3.42Å |
| 56 | L | 94.9 | Very high | 93.8 | Very high | 98 Ų | 98 | 86.8 Ų | 86.8 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.6 | -46.1 | 170.8 | 178.6 | 64.4 | 0 | 0 | 0 | 110.7 | A52 L53 T54 G59 E60 | A52-L56 WeakPolarHBondContact O-CB 3.48Å; A52-L56 PolarHBondContact O-N 2.77Å; A52-L56 VanDerWaalsContact O-N 3.15Å; L53-L56 WeakPolarHBondContact O-CB 3.41Å; L53-L56 PolarHBondContact O-N 3.42Å; L53-L56 VanDerWaalsContact O-N 3.16Å; T54-L56 PolarHBondContact O-N 2.92Å; L56-G59 CarbonylContact O-C 3.54Å; L56-G59 WeakPolarHBondContact O-CA 3.39Å; L56-G59 PolarHBondContact O-N 3.09Å; L56-G59 VanDerWaalsContact O-N 3.08Å; L56-E60 WeakPolarHBondContact O-CG 3.45Å; L56-E60 PolarHBondContact O-N 3.44Å |
| 57 | E | 95.6 | Very high | 94.3 | Very high | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.1 | -49.9 | 175.7 | -174.8 | 172.7 | -156.5 | 0 | 0 | 111.5 | L53 T54 G59 E60 D61 | L53-E57 PolarHBondContact O-N 3.16Å; T54-E57 PolarHBondContact O-N 3.26Å; E57-G59 PolarHBondContact O-N 2.94Å; E57-E60 PolarHBondContact O-N 2.92Å; E57-D61 PolarHBondContact O-N 3.26Å |
| 58 | E | 95.1 | Very high | 94.8 | Very high | 120 Ų | 120 | 88.5 Ų | 88.5 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.3 | -35.4 | 172.4 | -70.9 | 174 | -177.4 | 0 | 0 | 112.4 | T54 V62 | T54-E58 HydrophobicContact CG2-CG 4.45Å; T54-E58 WeakPolarHBondContact O-CB 3.34Å; T54-E58 WeakPolarHBondContact O-CG 3.17Å; T54-E58 PolarHBondContact O-N 2.87Å; E58-V62 WeakPolarHBondContact O-CG2 3.26Å; E58-V62 PolarHBondContact O-N 3.38Å |
| 59 | G | 95.1 | Very high | 95.3 | Very high | 35 Ų | 35 | 88.7 Ų | 88.7 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.8 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A55 L56 E57 V63 | A55-G59 PolarHBondContact O-N 3.42Å; L56-G59 CarbonylContact O-C 3.54Å; L56-G59 WeakPolarHBondContact O-CA 3.39Å; L56-G59 PolarHBondContact O-N 3.09Å; L56-G59 VanDerWaalsContact O-N 3.08Å; E57-G59 PolarHBondContact O-N 2.94Å; G59-V63 WeakPolarHBondContact O-CG2 3.49Å; G59-V63 PolarHBondContact O-N 2.89Å; G59-V63 VanDerWaalsContact O-N 3.1Å |
| 60 | E | 96.4 | Very high | 95.7 | Very high | 127 Ų | 127 | 88.8 Ų | 88.8 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68 | -41.1 | 174.8 | -72.9 | -179.2 | -174.6 | 0 | 0 | 111.2 | L56 E57 V63 G64 | L56-E60 WeakPolarHBondContact O-CG 3.45Å; L56-E60 PolarHBondContact O-N 3.44Å; E57-E60 PolarHBondContact O-N 2.92Å; E60-V63 PolarHBondContact O-N 2.72Å; E60-G64 PolarHBondContact O-N 3.22Å |
| 61 | D | 96.2 | Very high | 96.1 | Very high | 108 Ų | 108 | 88 Ų | 88 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59 | -48 | 173.5 | -78.7 | -21.5 | 0 | 0 | 0 | 111.7 | E57 V63 G64 D65 | E57-D61 PolarHBondContact O-N 3.26Å; D61-V63 VanDerWaalsContact C-N 3.3Å; D61-V63 PolarHBondContact O-N 2.87Å; D61-G64 CarbonylContact O-C 3.46Å; D61-G64 WeakPolarHBondContact O-CA 3.44Å; D61-G64 PolarHBondContact O-N 2.94Å; D61-D65 PolarHBondContact O-N 3.1Å |
| 62 | V | 96.9 | Very high | 96.4 | Very high | 84 Ų | 84 | 86.1 Ų | 86.1 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 112 | E58 G64 I66 | E58-V62 WeakPolarHBondContact O-CG2 3.26Å; E58-V62 PolarHBondContact O-N 3.38Å; V62-G64 VanDerWaalsContact C-N 3.34Å; V62-I66 HydrophobicContact CG1-CD1 4.03Å; V62-I66 WeakPolarHBondContact O-CD1 3.39Å; V62-I66 VanDerWaalsContact O-CG1 3.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.39Å; V62-I66 VanDerWaalsContact O-N 3.13Å |
| 63 | V | 97.8 | Very high | 96.7 | Very high | 94 Ų | 94 | 90.4 Ų | 90.4 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.4 | -35.7 | 173.3 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | G59 E60 D61 I66 L67 | G59-V63 WeakPolarHBondContact O-CG2 3.49Å; G59-V63 PolarHBondContact O-N 2.89Å; G59-V63 VanDerWaalsContact O-N 3.1Å; E60-V63 PolarHBondContact O-N 2.72Å; D61-V63 VanDerWaalsContact C-N 3.3Å; D61-V63 PolarHBondContact O-N 2.87Å; V63-I66 PolarHBondContact O-N 3.28Å; V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 PolarHBondContact O-N 3.4Å |
| 64 | G | 97.6 | Very high | 96.9 | Very high | 36 Ų | 36 | 89.6 Ų | 89.6 | 37% | 0.371 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E60 D61 V62 I66 L67 A68 | E60-G64 PolarHBondContact O-N 3.22Å; D61-G64 CarbonylContact O-C 3.46Å; D61-G64 WeakPolarHBondContact O-CA 3.44Å; D61-G64 PolarHBondContact O-N 2.94Å; V62-G64 VanDerWaalsContact C-N 3.34Å; G64-I66 PolarHBondContact O-N 3.08Å; G64-L67 PolarHBondContact O-N 2.9Å; G64-A68 WeakPolarHBondContact O-CB 3.23Å; G64-A68 PolarHBondContact O-N 3.49Å |
| 65 | D | 97.9 | Very high | 97.2 | Very high | 121 Ų | 121 | 92 Ų | 92 | 65% | 0.647 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.1 | -45 | 176.5 | -80.4 | -17.6 | 0 | 0 | 0 | 112.1 | D61 L67 A68 D69 | D61-D65 PolarHBondContact O-N 3.1Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3Å; D65-A68 PolarHBondContact O-N 2.9Å; D65-D69 WeakPolarHBondContact O-CB 3.37Å; D65-D69 PolarHBondContact O-N 3.35Å |
| 66 | I | 98.2 | Very high | 97.4 | Very high | 106 Ų | 106 | 92.8 Ų | 92.8 | 54% | 0.544 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 177 | -68.4 | 165.3 | 0 | 0 | 0 | 111.1 | V62 V63 G64 L70 | V62-I66 HydrophobicContact CG1-CD1 4.03Å; V62-I66 WeakPolarHBondContact O-CD1 3.39Å; V62-I66 VanDerWaalsContact O-CG1 3.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.39Å; V62-I66 VanDerWaalsContact O-N 3.13Å; V63-I66 PolarHBondContact O-N 3.28Å; G64-I66 PolarHBondContact O-N 3.08Å; I66-L70 VanDerWaalsContact O-CB 3.32Å; I66-L70 WeakPolarHBondContact O-CB 3.41Å; I66-L70 PolarHBondContact O-N 3.31Å |
| 67 | L | 98.3 | Very high | 97.5 | Very high | 112 Ų | 112 | 91.3 Ų | 91.3 | 59% | 0.586 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -39.5 | 177.7 | -179.9 | 60.7 | 0 | 0 | 0 | 111.6 | V63 G64 D65 L71 | V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 PolarHBondContact O-N 3.4Å; G64-L67 PolarHBondContact O-N 2.9Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3Å; L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.31Å; L67-L71 PolarHBondContact O-N 3.25Å |
| 68 | A | 98.1 | Very high | 97.6 | Very high | 58 Ų | 58 | 87.9 Ų | 87.9 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G64 D65 L71 A72 | G64-A68 WeakPolarHBondContact O-CB 3.23Å; G64-A68 PolarHBondContact O-N 3.49Å; D65-A68 PolarHBondContact O-N 2.9Å; A68-L71 PolarHBondContact O-N 2.81Å; A68-A72 VanDerWaalsContact O-CB 3.29Å; A68-A72 WeakPolarHBondContact O-CB 3.37Å; A68-A72 PolarHBondContact O-N 3.39Å |
| 69 | D | 98.3 | Very high | 97.7 | Very high | 72 Ų | 72 | 87.8 Ų | 87.8 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 175.3 | 175.6 | 49.5 | 0 | 0 | 0 | 111.8 | D65 L71 A72 R73 | D65-D69 WeakPolarHBondContact O-CB 3.37Å; D65-D69 PolarHBondContact O-N 3.35Å; D69-L71 PolarHBondContact O-N 3.35Å; D69-A72 PolarHBondContact O-N 3.49Å; D69-R73 WeakPolarHBondContact O-CB 3.21Å; D69-R73 VanDerWaalsContact O-CG 3.26Å; D69-R73 WeakPolarHBondContact O-CG 3.13Å; D69-R73 PolarHBondContact O-N 3.5Å; D69-R73 IonicContact OD1-CZ 3.09Å; D69-R73 VanDerWaalsContact OD1-CZ 3.28Å; D69-R73 IonicContact OD1-NE 3.92Å; D69-R73 PolarHBondContact OD1-NE 3.14Å; D69-R73 IonicContact OD1-NH2 3.92Å; D69-R73 PolarHBondContact OD1-NH2 3.11Å; D69-R73 IonicContact OD2-CZ 3.23Å; D69-R73 IonicContact OD2-NE 3.01Å; D69-R73 PolarHBondContact OD2-NE 3.18Å; D69-R73 VanDerWaalsContact OD2-NE 3.11Å; D69-R73 IonicContact OD2-NH1 2.74Å; D69-R73 IonicContact OD2-NH2 2.68Å; D69-R73 PolarHBondContact OD2-NH2 2.87Å |
| 70 | L | 98.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 91.6 Ų | 91.6 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.3 | 179.7 | 62.4 | 0 | 0 | 0 | 111.7 | I66 R73 V74 | I66-L70 VanDerWaalsContact O-CB 3.32Å; I66-L70 WeakPolarHBondContact O-CB 3.41Å; I66-L70 PolarHBondContact O-N 3.31Å; L70-R73 PolarHBondContact O-N 2.9Å; L70-V74 HydrophobicContact CD1-CG2 4.35Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.32Å; L70-V74 PolarHBondContact O-N 3.27Å |
| 71 | L | 98.4 | Very high | 97.9 | Very high | 104 Ų | 104 | 89.2 Ų | 89.2 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 178.4 | -177.7 | 61.7 | 0 | 0 | 0 | 111.2 | L67 A68 D69 R73 V74 M75 | L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.31Å; L67-L71 PolarHBondContact O-N 3.25Å; A68-L71 PolarHBondContact O-N 2.81Å; D69-L71 PolarHBondContact O-N 3.35Å; L71-R73 PolarHBondContact O-N 3.39Å; L71-V74 PolarHBondContact O-N 3.48Å; L71-M75 HydrophobicContact CD1-CG 4.09Å; L71-M75 HydrophobicContact CG-CG 4.3Å; L71-M75 WeakPolarHBondContact O-CB 3.42Å; L71-M75 VanDerWaalsContact O-CG 3.25Å; L71-M75 WeakPolarHBondContact O-CG 3.2Å; L71-M75 PolarHBondContact O-N 3.29Å |
| 72 | A | 98.3 | Very high | 97.9 | Very high | 59 Ų | 59 | 90.4 Ų | 90.4 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A68 D69 M75 D76 | A68-A72 VanDerWaalsContact O-CB 3.29Å; A68-A72 WeakPolarHBondContact O-CB 3.37Å; A68-A72 PolarHBondContact O-N 3.39Å; D69-A72 PolarHBondContact O-N 3.49Å; A72-M75 PolarHBondContact O-N 3.49Å; A72-D76 WeakPolarHBondContact O-CB 3.24Å; A72-D76 PolarHBondContact O-N 2.94Å |
| 73 | R | 98.2 | Very high | 97.9 | Very high | 152 Ų | 152 | 91.7 Ų | 91.7 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 177.1 | -69.5 | 173.2 | -167.4 | -158.4 | 8.6 | 113 | D69 L70 L71 S77 | D69-R73 WeakPolarHBondContact O-CB 3.21Å; D69-R73 VanDerWaalsContact O-CG 3.26Å; D69-R73 WeakPolarHBondContact O-CG 3.13Å; D69-R73 PolarHBondContact O-N 3.5Å; D69-R73 IonicContact OD1-CZ 3.09Å; D69-R73 VanDerWaalsContact OD1-CZ 3.28Å; D69-R73 IonicContact OD1-NE 3.92Å; D69-R73 PolarHBondContact OD1-NE 3.14Å; D69-R73 IonicContact OD1-NH2 3.92Å; D69-R73 PolarHBondContact OD1-NH2 3.11Å; D69-R73 IonicContact OD2-CZ 3.23Å; D69-R73 IonicContact OD2-NE 3.01Å; D69-R73 PolarHBondContact OD2-NE 3.18Å; D69-R73 VanDerWaalsContact OD2-NE 3.11Å; D69-R73 IonicContact OD2-NH1 2.74Å; D69-R73 IonicContact OD2-NH2 2.68Å; D69-R73 PolarHBondContact OD2-NH2 2.87Å; L70-R73 PolarHBondContact O-N 2.9Å; L71-R73 PolarHBondContact O-N 3.39Å; R73-S77 VanDerWaalsContact O-CB 3.26Å; R73-S77 WeakPolarHBondContact O-CB 3.23Å; R73-S77 PolarHBondContact O-N 3.27Å; R73-S77 PolarHBondContact O-OG 2.91Å |
| 74 | V | 98.5 | Very high | 97.8 | Very high | 83 Ų | 83 | 91.8 Ų | 91.8 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.5 | 169 | 0 | 0 | 0 | 0 | 110.5 | L70 L71 S77 A78 | L70-V74 HydrophobicContact CD1-CG2 4.35Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.32Å; L70-V74 PolarHBondContact O-N 3.27Å; L71-V74 PolarHBondContact O-N 3.48Å; V74-S77 PolarHBondContact O-N 2.96Å; V74-A78 VanDerWaalsContact O-CB 3.28Å; V74-A78 WeakPolarHBondContact O-CB 3.49Å; V74-A78 PolarHBondContact O-N 3.39Å |
| 75 | M | 98.5 | Very high | 97.7 | Very high | 80 Ų | 80 | 96.1 Ų | 96.1 | 39% | 0.394 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 177.3 | -71 | -58.2 | -57.1 | 0 | 0 | 111.8 | L71 A72 S77 A78 F79 | L71-M75 HydrophobicContact CD1-CG 4.09Å; L71-M75 HydrophobicContact CG-CG 4.3Å; L71-M75 WeakPolarHBondContact O-CB 3.42Å; L71-M75 VanDerWaalsContact O-CG 3.25Å; L71-M75 WeakPolarHBondContact O-CG 3.2Å; L71-M75 PolarHBondContact O-N 3.29Å; A72-M75 PolarHBondContact O-N 3.49Å; M75-S77 PolarHBondContact O-N 3.03Å; M75-A78 PolarHBondContact O-N 3.4Å; M75-F79 HydrophobicContact CB-CD2 4.34Å; M75-F79 HydrophobicContact CB-CE2 4.19Å; M75-F79 HydrophobicContact CE-CD2 4.3Å; M75-F79 HydrophobicContact CE-CE1 4.45Å; M75-F79 HydrophobicContact CE-CE2 3.43Å; M75-F79 VanDerWaalsContact CE-CE2 3.43Å; M75-F79 HydrophobicContact CE-CZ 3.53Å; M75-F79 WeakPolarHBondContact O-CB 3.3Å; M75-F79 WeakPolarHBondContact O-CD2 3.34Å; M75-F79 WeakPolarHBondContact O-CG 3.16Å; M75-F79 PolarHBondContact O-N 3.33Å |
| 76 | D | 98.4 | Very high | 97.6 | Very high | 76 Ų | 76 | 94.1 Ų | 94.1 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.6 | 170.1 | 64.7 | 0 | 0 | 0 | 111.9 | A72 A78 F79 K80 | A72-D76 WeakPolarHBondContact O-CB 3.24Å; A72-D76 PolarHBondContact O-N 2.94Å; D76-A78 PolarHBondContact O-N 3.15Å; D76-F79 PolarHBondContact O-N 3.1Å; D76-K80 VanDerWaalsContact CG-NZ 3.27Å; D76-K80 WeakPolarHBondContact O-CB 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.41Å; D76-K80 PolarHBondContact O-N 3.37Å; D76-K80 WeakPolarHBondContact OD1-CE 3.32Å; D76-K80 IonicContact OD1-NZ 2.67Å; D76-K80 PolarHBondContact OD1-NZ 2.98Å; D76-K80 VanDerWaalsContact OD1-NZ 3.09Å; D76-K80 WeakPolarHBondContact OD2-CE 3.28Å; D76-K80 IonicContact OD2-NZ 3.76Å; D76-K80 PolarHBondContact OD2-NZ 3.29Å |
| 77 | S | 97.8 | Very high | 97.5 | Very high | 66 Ų | 66 | 92.4 Ų | 92.4 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 112 | R73 V74 M75 K80 V81 | R73-S77 VanDerWaalsContact O-CB 3.26Å; R73-S77 WeakPolarHBondContact O-CB 3.23Å; R73-S77 PolarHBondContact O-N 3.27Å; R73-S77 PolarHBondContact O-OG 2.91Å; V74-S77 PolarHBondContact O-N 2.96Å; M75-S77 PolarHBondContact O-N 3.03Å; S77-K80 PolarHBondContact O-N 3.13Å; S77-V81 WeakPolarHBondContact O-CG2 3.37Å; S77-V81 PolarHBondContact O-N 2.91Å |
| 78 | A | 97.8 | Very high | 97.4 | Very high | 53 Ų | 53 | 92.6 Ų | 92.6 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V74 M75 D76 V81 Y82 | V74-A78 VanDerWaalsContact O-CB 3.28Å; V74-A78 WeakPolarHBondContact O-CB 3.49Å; V74-A78 PolarHBondContact O-N 3.39Å; M75-A78 PolarHBondContact O-N 3.4Å; D76-A78 PolarHBondContact O-N 3.15Å; A78-V81 PolarHBondContact O-N 3.5Å; A78-Y82 WeakPolarHBondContact O-CB 3.24Å; A78-Y82 PolarHBondContact O-N 3.34Å |
| 79 | F | 97.4 | Very high | 97.3 | Very high | 118 Ų | 118 | 92.9 Ų | 92.9 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 175.1 | -75.5 | -54.2 | 0 | 0 | 0 | 112 | M75 D76 V81 Y82 L83 | M75-F79 HydrophobicContact CB-CD2 4.34Å; M75-F79 HydrophobicContact CB-CE2 4.19Å; M75-F79 HydrophobicContact CE-CD2 4.3Å; M75-F79 HydrophobicContact CE-CE1 4.45Å; M75-F79 HydrophobicContact CE-CE2 3.43Å; M75-F79 VanDerWaalsContact CE-CE2 3.43Å; M75-F79 HydrophobicContact CE-CZ 3.53Å; M75-F79 WeakPolarHBondContact O-CB 3.3Å; M75-F79 WeakPolarHBondContact O-CD2 3.34Å; M75-F79 WeakPolarHBondContact O-CG 3.16Å; M75-F79 PolarHBondContact O-N 3.33Å; D76-F79 PolarHBondContact O-N 3.1Å; F79-V81 PolarHBondContact O-N 3.25Å; F79-Y82 PolarHBondContact O-N 3.49Å; F79-L83 WeakPolarHBondContact O-CB 3.47Å; F79-L83 VanDerWaalsContact O-CG 3.32Å; F79-L83 WeakPolarHBondContact O-CG 3.44Å; F79-L83 PolarHBondContact O-N 3.47Å |
| 80 | K | 97.4 | Very high | 97.3 | Very high | 115 Ų | 115 | 95.1 Ų | 95.1 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 173.5 | -75.8 | 165.7 | 176.2 | 164.9 | 0 | 112.2 | D76 S77 T84 | D76-K80 VanDerWaalsContact CG-NZ 3.27Å; D76-K80 WeakPolarHBondContact O-CB 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.41Å; D76-K80 PolarHBondContact O-N 3.37Å; D76-K80 WeakPolarHBondContact OD1-CE 3.32Å; D76-K80 IonicContact OD1-NZ 2.67Å; D76-K80 PolarHBondContact OD1-NZ 2.98Å; D76-K80 VanDerWaalsContact OD1-NZ 3.09Å; D76-K80 WeakPolarHBondContact OD2-CE 3.28Å; D76-K80 IonicContact OD2-NZ 3.76Å; D76-K80 PolarHBondContact OD2-NZ 3.29Å; S77-K80 PolarHBondContact O-N 3.13Å; K80-T84 WeakPolarHBondContact O-CB 3.48Å; K80-T84 WeakPolarHBondContact O-CG2 3.14Å; K80-T84 PolarHBondContact O-N 3.25Å; K80-T84 PolarHBondContact O-OG1 2.88Å |
| 81 | V | 97.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 94.1 Ų | 94.1 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | S77 A78 F79 T84 Q85 | S77-V81 WeakPolarHBondContact O-CG2 3.37Å; S77-V81 PolarHBondContact O-N 2.91Å; A78-V81 PolarHBondContact O-N 3.5Å; F79-V81 PolarHBondContact O-N 3.25Å; V81-T84 WeakPolarHBondContact CA-OG1 3.39Å; V81-T84 PolarHBondContact O-OG1 3.28Å; V81-Q85 VanDerWaalsContact CG1-NE2 3.3Å; V81-Q85 VanDerWaalsContact O-CG 3.28Å; V81-Q85 WeakPolarHBondContact O-CG 3.38Å; V81-Q85 PolarHBondContact O-N 3.41Å; V81-Q85 VanDerWaalsContact O-N 3.11Å |
| 82 | Y | 97.1 | Very high | 97.3 | Very high | 133 Ų | 133 | 94.4 Ų | 94.4 | 52% | 0.522 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 174.8 | 174.6 | -99.4 | 0 | 0 | 0 | 111.9 | A78 F79 T84 Q85 Q86 | A78-Y82 WeakPolarHBondContact O-CB 3.24Å; A78-Y82 PolarHBondContact O-N 3.34Å; F79-Y82 PolarHBondContact O-N 3.49Å; Y82-T84 PolarHBondContact O-N 2.95Å; Y82-Q85 PolarHBondContact O-N 2.91Å; Y82-Q86 HydrophobicContact CD1-CG 4.24Å; Y82-Q86 HydrophobicContact CD2-CG 4.08Å; Y82-Q86 HydrophobicContact CE1-CG 3.84Å; Y82-Q86 HydrophobicContact CE2-CG 3.66Å; Y82-Q86 HydrophobicContact CG-CG 4.36Å; Y82-Q86 WeakPolarHBondContact O-CG 3.43Å; Y82-Q86 PolarHBondContact O-N 3.38Å |
| 83 | L | 96.5 | Very high | 97.2 | Very high | 111 Ų | 111 | 94.4 Ų | 94.4 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 179.2 | -72.2 | 174 | 0 | 0 | 0 | 112.2 | F79 Q86 C87 | F79-L83 WeakPolarHBondContact O-CB 3.47Å; F79-L83 VanDerWaalsContact O-CG 3.32Å; F79-L83 WeakPolarHBondContact O-CG 3.44Å; F79-L83 PolarHBondContact O-N 3.47Å; L83-Q86 PolarHBondContact O-N 2.95Å; L83-C87 VanDerWaalsContact O-CB 3.28Å; L83-C87 WeakPolarHBondContact O-CB 3.5Å; L83-C87 PolarHBondContact O-N 3.04Å |
| 84 | T | 95.9 | Very high | 97.2 | Very high | 97 Ų | 97 | 92 Ų | 92 | 60% | 0.595 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.2 | -37.2 | 176 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | K80 V81 Y82 | K80-T84 WeakPolarHBondContact O-CB 3.48Å; K80-T84 WeakPolarHBondContact O-CG2 3.14Å; K80-T84 PolarHBondContact O-N 3.25Å; K80-T84 PolarHBondContact O-OG1 2.88Å; V81-T84 WeakPolarHBondContact CA-OG1 3.39Å; V81-T84 PolarHBondContact O-OG1 3.28Å; Y82-T84 PolarHBondContact O-N 2.95Å |
| 85 | Q | 95.3 | Very high | 97.2 | Very high | 126 Ų | 126 | 90.2 Ų | 90.2 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.7 | -37.2 | 172 | -71.8 | 176.5 | 30.3 | 0 | 0 | 113.1 | V81 Y82 P89 | V81-Q85 VanDerWaalsContact CG1-NE2 3.3Å; V81-Q85 VanDerWaalsContact O-CG 3.28Å; V81-Q85 WeakPolarHBondContact O-CG 3.38Å; V81-Q85 PolarHBondContact O-N 3.41Å; V81-Q85 VanDerWaalsContact O-N 3.11Å; Y82-Q85 PolarHBondContact O-N 2.91Å; Q85-P89 WeakPolarHBondContact O-CD 3.41Å |
| 86 | Q | 96.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 93.4 Ų | 93.4 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -82.6 | -21.1 | -179.7 | -65.9 | -53.9 | -38.5 | 0 | 0 | 114 | Y82 L83 I88 P89 F90 | Y82-Q86 HydrophobicContact CD1-CG 4.24Å; Y82-Q86 HydrophobicContact CD2-CG 4.08Å; Y82-Q86 HydrophobicContact CE1-CG 3.84Å; Y82-Q86 HydrophobicContact CE2-CG 3.66Å; Y82-Q86 HydrophobicContact CG-CG 4.36Å; Y82-Q86 WeakPolarHBondContact O-CG 3.43Å; Y82-Q86 PolarHBondContact O-N 3.38Å; L83-Q86 PolarHBondContact O-N 2.95Å; Q86-I88 VanDerWaalsContact C-N 3.33Å; Q86-I88 PolarHBondContact O-N 3.3Å; Q86-P89 VanDerWaalsContact O-CD 3.24Å; Q86-P89 WeakPolarHBondContact O-CD 3.43Å; Q86-P89 WeakPolarHBondContact O-CG 3.05Å; Q86-F90 WeakPolarHBondContact O-CB 3.38Å; Q86-F90 PolarHBondContact O-N 2.9Å |
| 87 | C | 96 | Very high | 97.1 | Very high | 71 Ų | 71 | 93.8 Ų | 93.8 | 48% | 0.48 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.2 | -46.2 | -177.8 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | L83 T91 | L83-C87 VanDerWaalsContact O-CB 3.28Å; L83-C87 WeakPolarHBondContact O-CB 3.5Å; L83-C87 PolarHBondContact O-N 3.04Å; C87-T91 VanDerWaalsContact O-CB 3.23Å; C87-T91 WeakPolarHBondContact O-CB 3.42Å; C87-T91 PolarHBondContact O-N 3.25Å; C87-T91 PolarHBondContact O-OG1 2.93Å |
| 88 | I | 94.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 92.8 Ų | 92.8 | 60% | 0.595 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.3 | -57.9 | 179.4 | -60.4 | 175.3 | 0 | 0 | 0 | 112 | Q86 F90 T91 I92 | Q86-I88 VanDerWaalsContact C-N 3.33Å; Q86-I88 PolarHBondContact O-N 3.3Å; I88-F90 VanDerWaalsContact C-N 3.32Å; I88-F90 PolarHBondContact O-N 3.34Å; I88-T91 PolarHBondContact O-N 3.1Å; I88-I92 HydrophobicContact CG2-CD1 3.7Å; I88-I92 HydrophobicContact CG2-CG1 4.47Å; I88-I92 VanDerWaalsContact O-CG1 3.3Å; I88-I92 WeakPolarHBondContact O-CG1 3.25Å; I88-I92 PolarHBondContact O-N 2.93Å |
| 89 | P | 97.4 | Very high | 97 | Very high | 63 Ų | 63 | 96.5 Ų | 96.5 | 41% | 0.409 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -34.7 | -179.5 | 24.3 | -34.1 | 0 | 0 | 0 | 113.1 | Q85 Q86 S93 | Q85-P89 WeakPolarHBondContact O-CD 3.41Å; Q86-P89 VanDerWaalsContact O-CD 3.24Å; Q86-P89 WeakPolarHBondContact O-CD 3.43Å; Q86-P89 WeakPolarHBondContact O-CG 3.05Å; P89-S93 WeakPolarHBondContact O-CB 3.42Å; P89-S93 PolarHBondContact O-N 3.47Å; P89-S93 PolarHBondContact O-OG 3.42Å |
| 90 | F | 97.4 | Very high | 96.9 | Very high | 119 Ų | 119 | 94.4 Ų | 94.4 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 173.1 | 178.4 | -96.5 | 0 | 0 | 0 | 112 | Q86 I88 I92 S93 Q94 | Q86-F90 WeakPolarHBondContact O-CB 3.38Å; Q86-F90 PolarHBondContact O-N 2.9Å; I88-F90 VanDerWaalsContact C-N 3.32Å; I88-F90 PolarHBondContact O-N 3.34Å; F90-I92 VanDerWaalsContact C-N 3.3Å; F90-I92 PolarHBondContact O-N 3.47Å; F90-S93 PolarHBondContact O-N 3.07Å; F90-S93 PolarHBondContact O-OG 2.99Å; F90-Q94 HydrophobicContact CD1-CG 4.07Å; F90-Q94 HydrophobicContact CD2-CG 4.34Å; F90-Q94 HydrophobicContact CE1-CG 3.67Å; F90-Q94 HydrophobicContact CE2-CG 3.98Å; F90-Q94 HydrophobicContact CG-CG 4.39Å; F90-Q94 HydrophobicContact CZ-CG 3.63Å; F90-Q94 WeakPolarHBondContact O-CB 3.36Å; F90-Q94 VanDerWaalsContact O-CG 3.26Å; F90-Q94 WeakPolarHBondContact O-CG 3.36Å; F90-Q94 PolarHBondContact O-N 2.93Å |
| 91 | T | 98 | Very high | 96.7 | Very high | 79 Ų | 79 | 92.8 Ų | 92.8 | 49% | 0.485 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | C87 I88 A95 | C87-T91 VanDerWaalsContact O-CB 3.23Å; C87-T91 WeakPolarHBondContact O-CB 3.42Å; C87-T91 PolarHBondContact O-N 3.25Å; C87-T91 PolarHBondContact O-OG1 2.93Å; I88-T91 PolarHBondContact O-N 3.1Å; T91-A95 WeakPolarHBondContact O-CB 3.28Å; T91-A95 PolarHBondContact O-N 3.42Å |
| 92 | I | 98 | Very high | 96.5 | Very high | 110 Ų | 110 | 93.2 Ų | 93.2 | 56% | 0.564 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67 | -41.9 | 175.7 | -67.5 | 169.3 | 0 | 0 | 0 | 111.3 | I88 F90 A95 R96 | I88-I92 HydrophobicContact CG2-CD1 3.7Å; I88-I92 HydrophobicContact CG2-CG1 4.47Å; I88-I92 VanDerWaalsContact O-CG1 3.3Å; I88-I92 WeakPolarHBondContact O-CG1 3.25Å; I88-I92 PolarHBondContact O-N 2.93Å; F90-I92 VanDerWaalsContact C-N 3.3Å; F90-I92 PolarHBondContact O-N 3.47Å; I92-A95 PolarHBondContact O-N 2.68Å; I92-R96 VanDerWaalsContact O-CB 3.32Å; I92-R96 WeakPolarHBondContact O-CB 3.25Å; I92-R96 PolarHBondContact O-N 3.17Å |
| 93 | S | 97.4 | Very high | 96.3 | Very high | 58 Ų | 58 | 90 Ų | 90 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 177.9 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | P89 F90 R96 E97 | P89-S93 WeakPolarHBondContact O-CB 3.42Å; P89-S93 PolarHBondContact O-N 3.47Å; P89-S93 PolarHBondContact O-OG 3.42Å; F90-S93 PolarHBondContact O-N 3.07Å; F90-S93 PolarHBondContact O-OG 2.99Å; S93-R96 PolarHBondContact O-N 3.24Å; S93-E97 WeakPolarHBondContact O-CB 3.48Å; S93-E97 PolarHBondContact O-N 3.31Å |
| 94 | Q | 97.9 | Very high | 95.9 | Very high | 101 Ų | 101 | 90.9 Ų | 90.9 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 173.3 | -69.5 | -64.5 | -19.6 | 0 | 0 | 112.1 | F90 R96 E97 A98 | F90-Q94 HydrophobicContact CD1-CG 4.07Å; F90-Q94 HydrophobicContact CD2-CG 4.34Å; F90-Q94 HydrophobicContact CE1-CG 3.67Å; F90-Q94 HydrophobicContact CE2-CG 3.98Å; F90-Q94 HydrophobicContact CG-CG 4.39Å; F90-Q94 HydrophobicContact CZ-CG 3.63Å; F90-Q94 WeakPolarHBondContact O-CB 3.36Å; F90-Q94 VanDerWaalsContact O-CG 3.26Å; F90-Q94 WeakPolarHBondContact O-CG 3.36Å; F90-Q94 PolarHBondContact O-N 2.93Å; Q94-R96 PolarHBondContact O-N 3.46Å; Q94-E97 PolarHBondContact O-N 3.21Å; Q94-A98 WeakPolarHBondContact O-CB 3.23Å; Q94-A98 PolarHBondContact O-N 3.46Å |
| 95 | A | 98.1 | Very high | 95.4 | Very high | 47 Ų | 47 | 94.5 Ų | 94.5 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T91 I92 M99 | T91-A95 WeakPolarHBondContact O-CB 3.28Å; T91-A95 PolarHBondContact O-N 3.42Å; I92-A95 PolarHBondContact O-N 2.68Å; A95-M99 WeakPolarHBondContact O-CB 3.29Å; A95-M99 VanDerWaalsContact O-CG 3.23Å; A95-M99 WeakPolarHBondContact O-CG 3.41Å; A95-M99 PolarHBondContact O-N 3.03Å |
| 96 | R | 98 | Very high | 94.8 | Very high | 147 Ų | 147 | 98.2 Ų | 98.2 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.8 | -45.9 | 173.7 | 178.2 | -169.6 | 166.8 | -75.2 | -3.1 | 111.3 | I92 S93 Q94 M99 L100 | I92-R96 VanDerWaalsContact O-CB 3.32Å; I92-R96 WeakPolarHBondContact O-CB 3.25Å; I92-R96 PolarHBondContact O-N 3.17Å; S93-R96 PolarHBondContact O-N 3.24Å; Q94-R96 PolarHBondContact O-N 3.46Å; R96-M99 PolarHBondContact O-N 3.11Å; R96-L100 HydrophobicContact CG-CD1 4.5Å; R96-L100 VanDerWaalsContact NH1-CD1 3.34Å; R96-L100 WeakPolarHBondContact O-CG 3.08Å; R96-L100 PolarHBondContact O-N 3.28Å |
| 97 | E | 97.6 | Very high | 94.1 | Very high | 84 Ų | 84 | 102 Ų | 102 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -43.9 | -178.1 | -160.4 | 59.6 | -154.8 | 0 | 0 | 111.8 | S93 Q94 M99 L100 Q101 | S93-E97 WeakPolarHBondContact O-CB 3.48Å; S93-E97 PolarHBondContact O-N 3.31Å; Q94-E97 PolarHBondContact O-N 3.21Å; E97-M99 VanDerWaalsContact C-N 3.3Å; E97-M99 PolarHBondContact O-N 2.82Å; E97-L100 WeakPolarHBondContact O-CB 3.42Å; E97-L100 PolarHBondContact O-N 3.35Å; E97-L100 VanDerWaalsContact O-N 3.1Å; E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 2.94Å |
| 98 | A | 97.2 | Very high | 93.1 | Very high | 44 Ų | 44 | 105.6 Ų | 105.6 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q94 Q101 I102 | Q94-A98 WeakPolarHBondContact O-CB 3.23Å; Q94-A98 PolarHBondContact O-N 3.46Å; A98-Q101 PolarHBondContact O-N 2.78Å; A98-I102 WeakPolarHBondContact O-CB 3.35Å; A98-I102 WeakPolarHBondContact O-CD1 3.37Å; A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 2.99Å |
| 99 | M | 96.7 | Very high | 92 | Very high | 132 Ų | 132 | 104.3 Ų | 104.3 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 173.2 | -77.5 | 177.2 | 67 | 0 | 0 | 112.2 | A95 R96 E97 I102 T103 | A95-M99 WeakPolarHBondContact O-CB 3.29Å; A95-M99 VanDerWaalsContact O-CG 3.23Å; A95-M99 WeakPolarHBondContact O-CG 3.41Å; A95-M99 PolarHBondContact O-N 3.03Å; R96-M99 PolarHBondContact O-N 3.11Å; E97-M99 VanDerWaalsContact C-N 3.3Å; E97-M99 PolarHBondContact O-N 2.82Å; M99-I102 PolarHBondContact O-N 3.19Å; M99-T103 PolarHBondContact O-N 3.49Å; M99-T103 PolarHBondContact O-OG1 2.9Å |
| 100 | L | 94.5 | Very high | 90.8 | Very high | 73 Ų | 73 | 111.2 Ų | 111.2 | 38% | 0.382 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 176.2 | -73 | 171.8 | 0 | 0 | 0 | 111.7 | R96 E97 I102 T103 E104 | R96-L100 HydrophobicContact CG-CD1 4.5Å; R96-L100 VanDerWaalsContact NH1-CD1 3.34Å; R96-L100 WeakPolarHBondContact O-CG 3.08Å; R96-L100 PolarHBondContact O-N 3.28Å; E97-L100 WeakPolarHBondContact O-CB 3.42Å; E97-L100 PolarHBondContact O-N 3.35Å; E97-L100 VanDerWaalsContact O-N 3.1Å; L100-I102 VanDerWaalsContact C-N 3.34Å; L100-I102 PolarHBondContact O-N 3.37Å; L100-T103 WeakPolarHBondContact CA-OG1 3.3Å; L100-T103 PolarHBondContact O-N 3.21Å; L100-T103 VanDerWaalsContact O-N 3.09Å; L100-T103 PolarHBondContact O-OG1 2.97Å; L100-E104 PolarHBondContact O-N 3.04Å |
| 101 | Q | 93.2 | Very high | 90 | Very high | 81 Ų | 81 | 112 Ų | 112 | 38% | 0.379 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.3 | -43.6 | 174.4 | -69.7 | 177.8 | -8.4 | 0 | 0 | 111.8 | E97 A98 T103 E104 W105 | E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 2.94Å; A98-Q101 PolarHBondContact O-N 2.78Å; Q101-T103 VanDerWaalsContact C-N 3.32Å; Q101-T103 PolarHBondContact O-N 2.83Å; Q101-E104 PolarHBondContact O-N 2.85Å; Q101-W105 HydrophobicContact CB-CH2 4.34Å; Q101-W105 HydrophobicContact CB-CZ2 4.05Å; Q101-W105 PolarHBondContact O-N 3.44Å |
| 102 | I | 93.6 | Very high | 89.2 | Confident | 86 Ų | 86 | 116 Ų | 116 | 44% | 0.441 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.5 | -40.6 | 174.4 | -70.3 | 163.4 | 0 | 0 | 0 | 110.8 | A98 M99 L100 R106 | A98-I102 WeakPolarHBondContact O-CB 3.35Å; A98-I102 WeakPolarHBondContact O-CD1 3.37Å; A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 2.99Å; M99-I102 PolarHBondContact O-N 3.19Å; L100-I102 VanDerWaalsContact C-N 3.34Å; L100-I102 PolarHBondContact O-N 3.37Å; I102-R106 HydrophobicContact CG2-CG 4.07Å; I102-R106 WeakPolarHBondContact O-CB 3.26Å; I102-R106 WeakPolarHBondContact O-CG 3.38Å; I102-R106 PolarHBondContact O-N 3.23Å |
| 103 | T | 91.3 | Very high | 88.3 | Confident | 66 Ų | 66 | 112.6 Ų | 112.6 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -39.4 | 175.8 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | M99 L100 Q101 R106 F107 | M99-T103 PolarHBondContact O-N 3.49Å; M99-T103 PolarHBondContact O-OG1 2.9Å; L100-T103 WeakPolarHBondContact CA-OG1 3.3Å; L100-T103 PolarHBondContact O-N 3.21Å; L100-T103 VanDerWaalsContact O-N 3.09Å; L100-T103 PolarHBondContact O-OG1 2.97Å; Q101-T103 VanDerWaalsContact C-N 3.32Å; Q101-T103 PolarHBondContact O-N 2.83Å; T103-R106 PolarHBondContact O-N 2.81Å; T103-F107 HydrophobicContact CG2-CD2 4.39Å; T103-F107 HydrophobicContact CG2-CE2 4.46Å; T103-F107 CarbonylContact O-C 3.58Å; T103-F107 WeakPolarHBondContact O-CA 3.42Å; T103-F107 VanDerWaalsContact O-CB 3.31Å; T103-F107 WeakPolarHBondContact O-CB 3.44Å; T103-F107 WeakPolarHBondContact O-CD2 3.41Å; T103-F107 PolarHBondContact O-N 3.39Å |
| 104 | E | 88.4 | Confident | 87.5 | Confident | 129 Ų | 129 | 115.2 Ų | 115.2 | 60% | 0.603 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.5 | -39.3 | 176.1 | -175.2 | 176.7 | -161.8 | 0 | 0 | 112.1 | L100 Q101 F107 L108 | L100-E104 PolarHBondContact O-N 3.04Å; Q101-E104 PolarHBondContact O-N 2.85Å; E104-F107 CarbonylContact O-C 3.33Å; E104-L108 WeakPolarHBondContact O-CA 3.28Å; E104-L108 PolarHBondContact O-N 2.99Å |
| 105 | W | 86.9 | Confident | 86.3 | Confident | 174 Ų | 174 | 116.7 Ų | 116.7 | 66% | 0.659 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -76.2 | -30.3 | 177.4 | -57.4 | -17.9 | 0 | 0 | 0 | 113.7 | Q101 | Q101-W105 HydrophobicContact CB-CH2 4.34Å; Q101-W105 HydrophobicContact CB-CZ2 4.05Å; Q101-W105 PolarHBondContact O-N 3.44Å |
| 106 | R | 81.9 | Confident | 85.1 | Confident | 204 Ų | 204 | 116.6 Ų | 116.6 | 77% | 0.77 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -86.3 | -36.2 | 179.9 | -70.5 | -64.7 | -171.2 | 135.9 | 1.3 | 112.8 | I102 T103 | I102-R106 HydrophobicContact CG2-CG 4.07Å; I102-R106 WeakPolarHBondContact O-CB 3.26Å; I102-R106 WeakPolarHBondContact O-CG 3.38Å; I102-R106 PolarHBondContact O-N 3.23Å; T103-R106 PolarHBondContact O-N 2.81Å |
| 107 | F | 82.2 | Confident | 83.7 | Confident | 157 Ų | 157 | 112.8 Ų | 112.8 | 69% | 0.689 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -113.3 | 72.3 | 172.5 | -51.4 | -77.3 | 0 | 0 | 0 | 106.3 | T103 E104 A109 | T103-F107 HydrophobicContact CG2-CD2 4.39Å; T103-F107 HydrophobicContact CG2-CE2 4.46Å; T103-F107 CarbonylContact O-C 3.58Å; T103-F107 WeakPolarHBondContact O-CA 3.42Å; T103-F107 VanDerWaalsContact O-CB 3.31Å; T103-F107 WeakPolarHBondContact O-CB 3.44Å; T103-F107 WeakPolarHBondContact O-CD2 3.41Å; T103-F107 PolarHBondContact O-N 3.39Å; E104-F107 CarbonylContact O-C 3.33Å; F107-A109 PolarHBondContact O-N 2.81Å; F107-A109 VanDerWaalsContact O-N 3.14Å |
| 108 | L | 74.4 | Confident | 82.4 | Confident | 148 Ų | 148 | 114 Ų | 114 | 78% | 0.775 | 60% | 0.602 | S | S | * | * | | | trans | -43.7 | 126.4 | 164.3 | -76.5 | 165.9 | 0 | 0 | 0 | 107.1 | E104 R110 | E104-L108 WeakPolarHBondContact O-CA 3.28Å; E104-L108 PolarHBondContact O-N 2.99Å; L108-R110 PolarHBondContact O-N 3.49Å |
| 109 | A | 71.4 | Confident | 81.2 | Confident | 88 Ų | 88 | 120 Ų | 120 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | | | trans | -50.1 | 139.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | F107 D111 | F107-A109 PolarHBondContact O-N 2.81Å; F107-A109 VanDerWaalsContact O-N 3.14Å; A109-D111 PolarHBondContact O-N 3.23Å |
| 110 | R | 73.8 | Confident | 80.2 | Confident | 209 Ų | 209 | 116.5 Ų | 116.5 | 79% | 0.789 | 61% | 0.607 | S | S | * | * | | | trans | -54.3 | 115.2 | 173.4 | 173.6 | 178.5 | 175.9 | 165.4 | -1 | 106.6 | L108 E112 | L108-R110 PolarHBondContact O-N 3.49Å; R110-E112 PolarHBondContact O-N 3.35Å; R110-E112 VanDerWaalsContact O-N 3.16Å |
| 111 | D | 79.9 | Confident | 79.2 | Confident | 135 Ų | 135 | 118.9 Ų | 118.9 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | | | trans | -60.6 | 120.3 | 168.4 | -169.9 | -0.4 | 0 | 0 | 0 | 106.6 | A109 G113 | A109-D111 PolarHBondContact O-N 3.23Å; D111-G113 PolarHBondContact O-N 2.85Å; D111-G113 PolarHBondContact OD1-N 3.42Å |
| 112 | E | 81.6 | Confident | 78.4 | Confident | 162 Ų | 162 | 120.7 Ų | 120.7 | 76% | 0.757 | 64% | 0.643 | S | S | * | * | | | trans | -68.2 | -11.7 | 173.6 | -64.4 | -65.9 | 173.3 | 0 | 0 | 110.5 | R110 | R110-E112 PolarHBondContact O-N 3.35Å; R110-E112 VanDerWaalsContact O-N 3.16Å |
| 113 | G | 79 | Confident | 77.6 | Confident | 39 Ų | 39 | 123.7 Ų | 123.7 | 40% | 0.402 | 65% | 0.649 | S | S | . | * | | | trans | 76.2 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D111 S115 | D111-G113 PolarHBondContact O-N 2.85Å; D111-G113 PolarHBondContact OD1-N 3.42Å; G113-S115 PolarHBondContact O-N 3.3Å; G113-S115 VanDerWaalsContact O-N 3.16Å |
| 114 | E | 79.9 | Confident | 76.9 | Confident | 114 Ų | 114 | 123.1 Ų | 123.1 | 53% | 0.533 | 66% | 0.656 | S | S | . | * | | | trans | -72.9 | 108.8 | 172.4 | -69.1 | 178.4 | -145.7 | 0 | 0 | 108.8 | A116 V117 W123 | E114-A116 PolarHBondContact O-N 2.86Å; E114-A116 VanDerWaalsContact O-N 3.12Å; E114-V117 HydrophobicContact CB-CG2 3.7Å; E114-V117 WeakPolarHBondContact O-CG2 3.26Å; E114-W123 PolarHBondContact OE2-NE1 2.76Å |
| 115 | S | 73.2 | Confident | 76.6 | Confident | 132 Ų | 132 | 126.5 Ų | 126.5 | 92% | 0.923 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -6.9 | -174.9 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | G113 | G113-S115 PolarHBondContact O-N 3.3Å; G113-S115 VanDerWaalsContact O-N 3.16Å |
| 116 | A | 72 | Confident | 76.5 | Confident | 45 Ų | 45 | 126 Ų | 126 | 37% | 0.372 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125.6 | 24.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E114 A118 E119 D120 | E114-A116 PolarHBondContact O-N 2.86Å; E114-A116 VanDerWaalsContact O-N 3.12Å; A116-A118 PolarHBondContact O-N 3Å; A116-E119 HydrophobicContact CB-CB 4.41Å; A116-E119 WeakPolarHBondContact O-CA 3.46Å; A116-E119 PolarHBondContact O-N 3.19Å; A116-D120 PolarHBondContact O-N 3.11Å |
| 117 | V | 69.3 | Low | 76.7 | Confident | 66 Ų | 66 | 125.2 Ų | 125.2 | 40% | 0.4 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.6 | -32.9 | 176.9 | 167.7 | 0 | 0 | 0 | 0 | 113.1 | E114 E119 W123 | E114-V117 HydrophobicContact CB-CG2 3.7Å; E114-V117 WeakPolarHBondContact O-CG2 3.26Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-W123 HydrophobicContact CG1-CB 3.85Å; V117-W123 HydrophobicContact CG1-CG 4.21Å; V117-W123 HydrophobicContact CG2-CG 4.49Å |
| 118 | A | 70.6 | Confident | 77 | Confident | 109 Ų | 109 | 125.9 Ų | 125.9 | 90% | 0.901 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -13.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A116 | A116-A118 PolarHBondContact O-N 3Š|
| 119 | E | 72.3 | Confident | 77.6 | Confident | 171 Ų | 171 | 124.2 Ų | 124.2 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -17.8 | 177 | -59.6 | -173.6 | 176.7 | 0 | 0 | 112.3 | A116 V117 P121 | A116-E119 HydrophobicContact CB-CB 4.41Å; A116-E119 WeakPolarHBondContact O-CA 3.46Å; A116-E119 PolarHBondContact O-N 3.19Å; V117-E119 VanDerWaalsContact C-N 3.33Å; E119-P121 WeakPolarHBondContact O-CD 3.49Å |
| 120 | D | 75.9 | Confident | 78.3 | Confident | 58 Ų | 58 | 125.6 Ų | 125.6 | 31% | 0.31 | 70% | 0.695 | S | S | . | * | | | trans | -85.6 | 111.9 | 176.5 | -169.8 | -14.6 | 0 | 0 | 0 | 111.3 | A116 T122 W123 | A116-D120 PolarHBondContact O-N 3.11Å; D120-T122 PolarHBondContact O-N 3.38Å; D120-T122 WeakPolarHBondContact OD1-CB 3.35Å; D120-T122 PolarHBondContact OD1-N 3.41Å; D120-T122 PolarHBondContact OD1-OG1 3.2Å; D120-W123 PolarHBondContact O-N 2.96Å; D120-W123 VanDerWaalsContact O-N 3.16Å |
| 121 | P | 73.1 | Confident | 78.7 | Confident | 123 Ų | 123 | 120.1 Ų | 120.1 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -65.9 | -8.7 | 178.1 | 30.1 | -36.8 | 0 | 0 | 0 | 113.8 | E119 W123 | E119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-W123 VanDerWaalsContact C-N 3.3Å |
| 122 | T | 76.4 | Confident | 78.6 | Confident | 120 Ų | 120 | 119.2 Ų | 119.2 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -78 | -15.1 | 176.2 | -30.2 | 0 | 0 | 0 | 0 | 112.7 | D120 | D120-T122 PolarHBondContact O-N 3.38Å; D120-T122 WeakPolarHBondContact OD1-CB 3.35Å; D120-T122 PolarHBondContact OD1-N 3.41Å; D120-T122 PolarHBondContact OD1-OG1 3.2Å |
| 123 | W | 75.9 | Confident | 78.4 | Confident | 148 Ų | 148 | 118.1 Ų | 118.1 | 56% | 0.561 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -106.7 | 26 | 179.1 | -74.3 | 105.2 | 0 | 0 | 0 | 113.9 | E114 V117 D120 P121 | E114-W123 PolarHBondContact OE2-NE1 2.76Å; V117-W123 HydrophobicContact CG1-CB 3.85Å; V117-W123 HydrophobicContact CG1-CG 4.21Å; V117-W123 HydrophobicContact CG2-CG 4.49Å; D120-W123 PolarHBondContact O-N 2.96Å; D120-W123 VanDerWaalsContact O-N 3.16Å; P121-W123 VanDerWaalsContact C-N 3.3Å |
| 124 | G | 77.9 | Confident | 78.1 | Confident | 54 Ų | 54 | 121.3 Ų | 121.3 | 56% | 0.557 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 156.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D126 | G124-D126 PolarHBondContact O-N 3.05Š|
| 125 | E | 81.2 | Confident | 77.8 | Confident | 201 Ų | 201 | 120.4 Ų | 120.4 | 94% | 0.939 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.3 | 166.3 | -65 | -179.9 | 169.9 | 0 | 0 | 109.3 | | |
| 126 | D | 84.8 | Confident | 77.5 | Confident | 162 Ų | 162 | 119.8 Ų | 119.8 | 87% | 0.866 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 137.3 | 175 | -82.2 | -28.4 | 0 | 0 | 0 | 110.5 | G124 E128 | G124-D126 PolarHBondContact O-N 3.05Å; D126-E128 PolarHBondContact O-N 3.15Å |
| 127 | E | 86.6 | Confident | 77.2 | Confident | 188 Ų | 188 | 128.5 Ų | 128.5 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 122.5 | 175.9 | -172.5 | 177.9 | -177.3 | 0 | 0 | 110.1 | | |
| 128 | E | 87.8 | Confident | 76.9 | Confident | 172 Ų | 172 | 127.3 Ų | 127.3 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 125.7 | 179.5 | -171.5 | 179.3 | -174.9 | 0 | 0 | 109.6 | D126 S130 | D126-E128 PolarHBondContact O-N 3.15Å; E128-S130 PolarHBondContact O-N 3.2Å |
| 129 | P | 87.3 | Confident | 75.8 | Confident | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 127.9 | -175.2 | 23.7 | -34.2 | 0 | 0 | 0 | 110.1 | A131 | P129-A131 PolarHBondContact O-N 3.45Å; P129-A131 VanDerWaalsContact O-N 3.14Å |
| 130 | S | 84.9 | Confident | 75.5 | Confident | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 122.3 | -177.5 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | E128 C132 | E128-S130 PolarHBondContact O-N 3.2Å; S130-C132 PolarHBondContact O-N 3.3Å; S130-C132 VanDerWaalsContact O-N 3.12Å |
| 131 | A | 82.4 | Confident | 74.8 | Confident | 94 Ų | 94 | 127.5 Ų | 127.5 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 122.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P129 T133 | P129-A131 PolarHBondContact O-N 3.45Å; P129-A131 VanDerWaalsContact O-N 3.14Å; A131-T133 PolarHBondContact O-N 3.45Å |
| 132 | C | 78.5 | Confident | 74.2 | Confident | 117 Ų | 117 | 127.3 Ų | 127.3 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 134.5 | -177.7 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | S130 T134 | S130-C132 PolarHBondContact O-N 3.3Å; S130-C132 VanDerWaalsContact O-N 3.12Å; C132-T134 PolarHBondContact O-N 3.35Å |
| 133 | T | 78.3 | Confident | 73.6 | Confident | 138 Ų | 138 | 126.8 Ų | 126.8 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | | | trans | -55.3 | 112.4 | -179.8 | 48.9 | 0 | 0 | 0 | 0 | 109 | A131 D135 | A131-T133 PolarHBondContact O-N 3.45Å; T133-D135 PolarHBondContact O-N 3.25Å |
| 134 | T | 72.4 | Confident | 73 | Confident | 106 Ų | 106 | 125.2 Ų | 125.2 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | trans | -53.6 | 117.5 | -179.2 | -48.2 | 0 | 0 | 0 | 0 | 108.7 | C132 A138 S141 | C132-T134 PolarHBondContact O-N 3.35Å; T134-A138 HydrophobicContact CG2-CB 3.54Å; T134-S141 WeakPolarHBondContact CG2-OG 3.26Å |
| 135 | D | 73 | Confident | 72.5 | Confident | 95 Ų | 95 | 130.4 Ų | 130.4 | 51% | 0.508 | 75% | 0.75 | S | S | . | * | | | trans | -64.6 | 160.7 | -178.4 | 73.2 | 12.3 | 0 | 0 | 0 | 110.7 | T133 W137 A138 | T133-D135 PolarHBondContact O-N 3.25Å; D135-W137 PolarHBondContact O-N 3.36Å; D135-W137 WeakPolarHBondContact OD1-CA 3.34Å; D135-W137 WeakPolarHBondContact OD1-CB 3.43Å; D135-W137 PolarHBondContact OD1-N 3.07Å; D135-A138 PolarHBondContact O-N 3.24Å; D135-A138 PolarHBondContact OD1-N 3.4Å |
| 136 | S | 67.4 | Low | 71.4 | Confident | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 6.6 | 179 | -38.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 137 | W | 64.4 | Low | 69.8 | Low | 227 Ų | 227 | 125.2 Ų | 125.2 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | -17.8 | -172.4 | -62.6 | 67.6 | 0 | 0 | 0 | 111.8 | D135 Q139 | D135-W137 PolarHBondContact O-N 3.36Å; D135-W137 WeakPolarHBondContact OD1-CA 3.34Å; D135-W137 WeakPolarHBondContact OD1-CB 3.43Å; D135-W137 PolarHBondContact OD1-N 3.07Å; W137-Q139 PolarHBondContact O-N 3.17Å; W137-Q139 VanDerWaalsContact O-N 3.13Å |
| 138 | A | 62.9 | Low | 68.1 | Low | 41 Ų | 41 | 122.4 Ų | 122.4 | 34% | 0.339 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -58.8 | 112.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T134 D135 G140 S141 | T134-A138 HydrophobicContact CG2-CB 3.54Å; D135-A138 PolarHBondContact O-N 3.24Å; D135-A138 PolarHBondContact OD1-N 3.4Å; A138-G140 PolarHBondContact O-N 3.11Å; A138-S141 PolarHBondContact O-N 2.67Å; A138-S141 PolarHBondContact O-OG 3.09Å |
| 139 | Q | 49.4 | Very low | 65.9 | Low | 209 Ų | 209 | 120.7 Ų | 120.7 | 98% | 0.977 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 97.4 | -179.6 | -176.4 | 177.8 | -12.6 | 0 | 0 | 111.3 | W137 | W137-Q139 PolarHBondContact O-N 3.17Å; W137-Q139 VanDerWaalsContact O-N 3.13Å |
| 140 | G | 65.5 | Low | 64 | Low | 69 Ų | 69 | 120.7 Ų | 120.7 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.8 | -15.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A138 V142 | A138-G140 PolarHBondContact O-N 3.11Å; G140-V142 VanDerWaalsContact C-N 3.31Å; G140-V142 PolarHBondContact O-N 3.48Å |
| 141 | S | 60.6 | Low | 62 | Low | 64 Ų | 64 | 124.5 Ų | 124.5 | 45% | 0.448 | 74% | 0.742 | S | S | . | * | | | trans | -72.4 | 71.3 | -178 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | T134 A138 | T134-S141 WeakPolarHBondContact CG2-OG 3.26Å; A138-S141 PolarHBondContact O-N 2.67Å; A138-S141 PolarHBondContact O-OG 3.09Å |
| 142 | V | 61.4 | Low | 59.9 | Low | 120 Ų | 120 | 123.6 Ų | 123.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -91.5 | 120.3 | 169.6 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | G140 V144 | G140-V142 VanDerWaalsContact C-N 3.31Å; G140-V142 PolarHBondContact O-N 3.48Å; V142-V144 PolarHBondContact O-N 3.35Å |
| 143 | P | 62.5 | Low | 58.3 | Low | 109 Ų | 109 | 125.7 Ų | 125.7 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | | | trans | -63.3 | 121 | 176.5 | -21.8 | 33.3 | 0 | 0 | 0 | 111.5 | L145 | P143-L145 PolarHBondContact O-N 2.89Š|
| 144 | V | 64.6 | Low | 56.5 | Low | 114 Ų | 114 | 127.8 Ų | 127.8 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | trans | -77.5 | 104.1 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | V142 H146 | V142-V144 PolarHBondContact O-N 3.35Å; V144-H146 PolarHBondContact O-N 3.37Å |
| 145 | L | 66.9 | Low | 54.8 | Low | 163 Ų | 163 | 129.2 Ų | 129.2 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | | | trans | -78.3 | 103.9 | 170 | -66.5 | 175.2 | 0 | 0 | 0 | 109.4 | P143 A147 | P143-L145 PolarHBondContact O-N 2.89Å; L145-A147 PolarHBondContact O-N 2.85Å |
| 146 | H | 58 | Low | 52.9 | Low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | -70.5 | 115.3 | 169.8 | -69.2 | -80.6 | 0 | 0 | 0 | 110 | V144 | V144-H146 PolarHBondContact O-N 3.37Š|
| 147 | A | 50.1 | Low | 51.6 | Low | 82 Ų | 82 | 139 Ų | 139 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 141.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | L145 T149 | L145-A147 PolarHBondContact O-N 2.85Å; A147-T149 PolarHBondContact O-N 3.44Å |
| 148 | P | 51 | Low | 50.2 | Low | 130 Ų | 130 | 131.8 Ų | 131.8 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 124 | -179.5 | 27.4 | -33.5 | 0 | 0 | 0 | 110.9 | | |
| 149 | T | 42.8 | Very low | 48.9 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 128.4 | 179.9 | -46.1 | 0 | 0 | 0 | 0 | 110.9 | A147 E151 | A147-T149 PolarHBondContact O-N 3.44Å; T149-E151 PolarHBondContact O-N 2.87Å |
| 150 | S | 47.1 | Very low | 48.4 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.9 | 171.1 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | G152 | S150-G152 PolarHBondContact O-N 3.44Š|
| 151 | E | 43.3 | Very low | 47.7 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -70.5 | 112.8 | 175.4 | -65.9 | -177.8 | 150.9 | 0 | 0 | 110.7 | T149 | T149-E151 PolarHBondContact O-N 2.87Š|
| 152 | G | 37.8 | Very low | 46.3 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | -102.8 | 110.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S150 | S150-G152 PolarHBondContact O-N 3.44Š|
| 153 | L | 45.8 | Very low | 44.9 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | trans | -86.6 | 112.7 | 179.5 | 173.2 | 71.1 | 0 | 0 | 0 | 111.2 | | |
| 154 | E | 38.7 | Very low | 43.6 | Very low | 183 Ų | 183 | 138 Ų | 138 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | | | trans | -149.3 | 100.3 | 158.5 | 50 | -167.9 | 151.8 | 0 | 0 | 113.2 | | |
| 155 | N | 38.1 | Very low | 42.3 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -91.3 | 122.2 | 160.8 | -82.8 | -46.5 | 0 | 0 | 0 | 108.4 | | |
| 156 | F | 32.8 | Very low | 41.2 | Very low | 218 Ų | 218 | 139.7 Ų | 139.7 | 96% | 0.956 | 82% | 0.817 | S | S | * | * | | | trans | -147.3 | 132.1 | 147 | -81.2 | -64.7 | 0 | 0 | 0 | 111.7 | | |
| 157 | Q | 39.5 | Very low | 40.2 | Very low | 201 Ų | 201 | 138.3 Ų | 138.3 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | | | trans | -115.3 | 138.5 | 179.7 | -176.3 | 173.7 | 11.5 | 0 | 0 | 107.6 | | |
| 158 | G | 35 | Very low | 39.9 | Very low | 76 Ų | 76 | 140.7 Ų | 140.7 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | | | trans | -158.2 | 113 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 159 | E | 35.9 | Very low | 39.2 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | | | trans | -62.9 | 164.5 | 164.1 | -76.6 | 159.8 | 128.3 | 0 | 0 | 112.4 | | |
| 160 | D | 38.9 | Very low | 38.7 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | | | cis | -160.7 | -137.9 | -12 | -176.8 | 31.6 | 0 | 0 | 0 | 108.1 | | |
| 161 | P | 49.9 | Very low | 38.2 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 82% | 0.823 | S | S | * | * | | | | -116.4 | 170.3 | -122.7 | 39.7 | -24.7 | 0 | 0 | 0 | 117.6 | | |
| 162 | G | 31.3 | Very low | 37.9 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | 124.5 | 128 | 141.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 163 | G | 32 | Very low | 37.7 | Very low | 80 Ų | 80 | 148.5 Ų | 148.5 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | 141.9 | 87.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 164 | V | 36.4 | Very low | 37.1 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | | | trans | -56.3 | 136.7 | 157.9 | 178 | 0 | 0 | 0 | 0 | 107.9 | | |
| 165 | D | 37.6 | Very low | 36.6 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | | | cis | -155.4 | 166.8 | 36.3 | -129.6 | -32.3 | 0 | 0 | 0 | 111.8 | | |
| 166 | Q | 42.5 | Very low | 36.4 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | trans | 140.9 | 100.5 | 147.4 | -76.5 | -170 | 110.3 | 0 | 0 | 115.9 | | |
| 167 | I | 36.7 | Very low | 36.3 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | 45.6 | 104.4 | 143.4 | -43.5 | 172.1 | 0 | 0 | 0 | 118.8 | | |
| 168 | P | 43.9 | Very low | 36.1 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -97.3 | 114.3 | 158.1 | 33.7 | -26.4 | 0 | 0 | 0 | 111.8 | | |
| 169 | L | 37.9 | Very low | 35.9 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | trans | -115.2 | 97.1 | 167.8 | -167.6 | 78.9 | 0 | 0 | 0 | 109.1 | | |
| 170 | G | 31.5 | Very low | 35.7 | Very low | 65 Ų | 65 | 137.1 Ų | 137.1 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | -161.2 | 21.2 | -161.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 171 | R | 37.6 | Very low | 35.2 | Very low | 237 Ų | 237 | 138 Ų | 138 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | | | trans | 67.7 | 119.2 | 171.3 | -49.7 | 171 | -174 | -103.6 | -0.9 | 113.6 | | |
| 172 | S | 35.2 | Very low | 34 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | | 58.7 | 128.6 | 55.4 | 106.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 173 | W | 33.8 | Very low | 33.7 | Very low | 243 Ų | 243 | 143.4 Ų | 143.4 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | | | cis | -138.2 | 148.7 | 7.5 | -89.8 | -51.4 | 0 | 0 | 0 | 112.6 | | |
| 174 | M | 33.3 | Very low | 33.5 | Very low | 164 Ų | 164 | 145 Ų | 145 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -93.2 | 132.8 | 152.2 | -83.2 | -91.1 | -80.9 | 0 | 0 | 108.5 | | |
| 175 | G | 27.8 | Very low | 33.1 | Very low | 81 Ų | 81 | 150.7 Ų | 150.7 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | -120.4 | 81 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 176 | R | 33.9 | Very low | 32.9 | Very low | 215 Ų | 215 | 152 Ų | 152 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -70.6 | 143.6 | 179.2 | -171 | -167 | -60.8 | -92.4 | 1.2 | 110.3 | | |
| 177 | G | 30.8 | Very low | 32.7 | Very low | 63 Ų | 63 | 149.4 Ų | 149.4 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | trans | -75.8 | 161.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 178 | S | 36.3 | Very low | 32.5 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -173.2 | 122.2 | 159 | -97.4 | 0 | 0 | 0 | 0 | 104.9 | | |
| 179 | Q | 30.6 | Very low | 32.4 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | | 88.7 | 136.7 | 72.1 | -179.7 | 169.2 | -10.3 | 0 | 0 | 112.2 | | |
| 180 | E | 31.2 | Very low | 31.9 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | 85.6 | 109.3 | 163.8 | -85.4 | 156.6 | -143.1 | 0 | 0 | 121.7 | | |
| 181 | Q | 28.1 | Very low | 31.8 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | | 101.7 | 102 | 107.4 | -163 | 167.1 | 92 | 0 | 0 | 120.4 | | |
| 182 | M | 24.7 | Very low | 31.3 | Very low | 143 Ų | 143 | 149 Ų | 149 | 70% | 0.704 | 78% | 0.778 | S | S | * | * | | | trans | 59.1 | 147.9 | 135.6 | -81.8 | 168.8 | 72.6 | 0 | 0 | 124 | | |
| 183 | E | 26.6 | Very low | 31 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | 62.2 | 95.6 | 147.8 | -71 | 172.5 | 166.6 | 0 | 0 | 119.7 | | |
| 184 | S | 26.9 | Very low | 30.5 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | | 168.9 | 132.6 | 98.6 | 43.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 185 | W | 27.9 | Very low | 30.2 | Very low | 251 Ų | 251 | 142.1 Ų | 142.1 | 95% | 0.951 | 77% | 0.773 | S | S | * | * | | | trans | -127.3 | 148.1 | 173.9 | -82.9 | 82.8 | 0 | 0 | 0 | 110.5 | | |
| 186 | E | 33.9 | Very low | 30.2 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | trans | 76.1 | 149.3 | 179.7 | -59.3 | -142.3 | 137 | 0 | 0 | 117.2 | | |
| 187 | P | 37.1 | Very low | 30.6 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | cis | -127.9 | 158.7 | 14.5 | 38.9 | -22.6 | 0 | 0 | 0 | 118.5 | | |
| 188 | S | 34.4 | Very low | 31.2 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | 0.3 | 152.9 | 149.1 | -51.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 189 | P | 41 | Very low | 30.7 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | | -145.7 | 171.4 | 88.3 | 39 | -22.4 | 0 | 0 | 0 | 117.9 | | |
| 190 | E | 26.7 | Very low | 30.5 | Very low | 167 Ų | 167 | 142 Ų | 142 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | | | trans | -68.6 | 159.7 | -176.5 | -52.7 | 164.9 | 99.8 | 0 | 0 | 115.6 | | |
| 191 | L | 29.8 | Very low | 30.4 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 94% | 0.942 | 78% | 0.784 | S | S | * | * | | | trans | -148.1 | 144.4 | 143.3 | -111 | 169.7 | 0 | 0 | 0 | 110.7 | | |
| 192 | K | 26.4 | Very low | 30.4 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 73% | 0.726 | 79% | 0.793 | S | S | * | * | | | trans | -146.5 | 158.7 | -163.7 | -151.8 | 179.4 | -168.3 | 166.7 | 0 | 109.8 | | |
| 193 | V | 29 | Very low | 30.5 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | trans | 75.9 | 138.2 | 164.7 | 177.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 194 | T | 23.7 | Very low | 30.6 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | | | cis | -174.7 | 146.2 | -16.7 | -89 | 0 | 0 | 0 | 0 | 108.7 | | |
| 195 | S | 27.1 | Very low | 30.8 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | 166.1 | 151.1 | 130.3 | 47.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 196 | V | 28.3 | Very low | 30.9 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -132.1 | 155.3 | 177.8 | -157.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 197 | P | 42.6 | Very low | 30.6 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | | -144.9 | 170.9 | 102.3 | 30 | -9.6 | 0 | 0 | 0 | 115.4 | | |
| 198 | P | 43.5 | Very low | 30.2 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | | | trans | -119.9 | 170.3 | -167.9 | 43 | -31.9 | 0 | 0 | 0 | 115.4 | | |
| 199 | T | 25.9 | Very low | 30.8 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | 165.5 | 154.5 | 146.3 | 34.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 200 | T | 25.5 | Very low | 30 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | cis | -153.7 | 147.3 | 32.8 | -25.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 201 | S | 29.1 | Very low | 29.9 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -104.5 | 142.6 | 162.1 | -60.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 202 | E | 28.3 | Very low | 30.5 | Very low | 203 Ų | 203 | 129 Ų | 129 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | | | trans | -82.6 | 159.5 | 175.5 | -70.2 | -170.3 | 123.4 | 0 | 0 | 113 | | |
| 203 | L | 27.6 | Very low | 30.6 | Very low | 134 Ų | 134 | 127 Ų | 127 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | | | trans | -131.2 | 142.1 | -173.1 | -95 | -56.6 | 0 | 0 | 0 | 112 | | |
| 204 | F | 28.9 | Very low | 30.7 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 75% | 0.746 | 79% | 0.794 | S | S | * | * | | | trans | 64 | 150.7 | 157.5 | -60.5 | -52.7 | 0 | 0 | 0 | 117.1 | | |
| 205 | Q | 31.1 | Very low | 30.9 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | cis | -134.8 | 136.4 | 40.6 | -72.2 | 158.4 | 64.7 | 0 | 0 | 110.7 | | |
| 206 | E | 28.9 | Very low | 31.1 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | | | | 75.3 | 104.4 | 70.7 | -168.3 | 179.3 | 171 | 0 | 0 | 114.9 | | |
| 207 | A | 28.5 | Very low | 31.1 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | 167.1 | 138.4 | 138.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 208 | G | 27.6 | Very low | 30.4 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | -134.8 | -157.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 209 | P | 47.5 | Very low | 29.7 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | | | cis | -130.1 | 174.3 | -22 | 40.1 | -25.3 | 0 | 0 | 0 | 113 | | |
| 210 | G | 25.1 | Very low | 29.7 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | 157.5 | 130.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 211 | G | 24.2 | Very low | 29.8 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -95.2 | -147.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 212 | P | 41.5 | Very low | 29.7 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | | | cis | -131.8 | -163.2 | -8.5 | 38.1 | -17.7 | 0 | 0 | 0 | 113.2 | | |
| 213 | V | 28.1 | Very low | 29.8 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | | | trans | 72.6 | 143.8 | 168.1 | 179.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 214 | E | 31.5 | Very low | 29.8 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 77% | 0.771 | 82% | 0.818 | S | S | * | * | | | cis | -146.1 | 146.3 | 36.1 | -142.1 | 150.3 | 143 | 0 | 0 | 108.8 | | |
| 215 | E | 28.8 | Very low | 29.7 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | | | | 38 | 137.2 | 95.9 | -91.8 | -175.2 | 110.7 | 0 | 0 | 115.2 | | |
| 216 | T | 30.7 | Very low | 29.6 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 71% | 0.712 | 82% | 0.824 | S | S | * | * | | | cis | -156.6 | 178 | 23 | 4.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 217 | D | 27.7 | Very low | 29.4 | Very low | 168 Ų | 168 | 125.8 Ų | 125.8 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | | | trans | -49.4 | 160.6 | 175.2 | -67.6 | -71.5 | 0 | 0 | 0 | 118.5 | | |
| 218 | G | 28.5 | Very low | 29.2 | Very low | 76 Ų | 76 | 125.8 Ų | 125.8 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | | | trans | 178 | 86.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 219 | Q | 28.5 | Very low | 29.2 | Very low | 198 Ų | 198 | 129.7 Ų | 129.7 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | | | trans | -62 | 136.8 | -179.5 | -68.5 | 152.6 | -26.5 | 0 | 0 | 114.1 | | |
| 220 | S | 26.6 | Very low | 28.2 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | | -177.9 | 128.7 | 109.7 | 50.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 221 | R | 26.8 | Very low | 28.2 | Very low | 254 Ų | 254 | 129.5 Ų | 129.5 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | | | trans | 60.3 | 98.3 | 135.7 | -166.4 | 176.4 | -112.2 | -118.8 | -0.7 | 119.4 | | |
| 222 | G | 26.8 | Very low | 28.3 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -152.1 | 116.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 223 | L | 31.1 | Very low | 27.6 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | | | trans | -44.4 | 139.9 | -178.4 | -55.4 | 160.7 | 0 | 0 | 0 | 117.1 | | |
| 224 | S | 26.6 | Very low | 27.5 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | | | | 161.3 | 126.6 | 108.4 | -72 | 0 | 0 | 0 | 0 | 116.6 | | |
| 225 | S | 27.3 | Very low | 27.2 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | | | trans | 46.4 | 147.1 | 137.6 | -138.4 | 0 | 0 | 0 | 0 | 125.5 | | |
| 226 | A | 28.3 | Very low | 27.1 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | | | trans | 63 | 138.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 227 | G | 25.6 | Very low | 26.9 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | | | cis | 148.6 | 98.1 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 228 | S | 25.2 | Very low | 26.8 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 84% | 0.843 | S | S | * | * | | | trans | -170.1 | 128.5 | 168.6 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 229 | L | 27.1 | Very low | 26.6 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 80% | 0.801 | 85% | 0.846 | S | S | * | * | | | | 166.1 | 141.3 | 114.2 | -87.9 | 173.7 | 0 | 0 | 0 | 113 | | |
| 230 | S | 26.5 | Very low | 26.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | | | trans | 50.6 | 111.8 | 153 | 60.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 231 | A | 24.6 | Very low | 27.2 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | | | trans | -123.6 | 113.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 232 | S | 26.9 | Very low | 27.3 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | | | trans | -95.9 | 152.1 | 169.6 | -66.3 | 0 | 0 | 0 | 0 | 110 | | |
| 233 | F | 26.9 | Very low | 27.3 | Very low | 210 Ų | 210 | 136.9 Ų | 136.9 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | | | trans | -44.3 | 137.7 | -174.8 | -53.5 | -90.2 | 0 | 0 | 0 | 115.7 | | |
| 234 | Q | 25.9 | Very low | 27.1 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | | | trans | -132.1 | 136.8 | 151.2 | -69.8 | -165.6 | 14.6 | 0 | 0 | 110.5 | | |
| 235 | L | 25.8 | Very low | 27.2 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | | | trans | -96.9 | 125 | 178.7 | -177.1 | 78.5 | 0 | 0 | 0 | 107.6 | | |
| 236 | S | 25.6 | Very low | 27.2 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | | | trans | -67.4 | 134.4 | -176.9 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 237 | V | 27 | Very low | 28.2 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | | | trans | -119.9 | 137.8 | 166.8 | 169.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 238 | E | 25.1 | Very low | 28.2 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | -96.9 | 151.4 | 174.8 | -169.3 | 175.7 | 108.2 | 0 | 0 | 109.9 | | |
| 239 | E | 24.6 | Very low | 28.4 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | | | trans | -122.6 | 141.5 | -153.9 | 179.1 | 167.7 | -176.7 | 0 | 0 | 115.2 | | |
| 240 | A | 28.3 | Very low | 28.5 | Very low | 87 Ų | 87 | 141 Ų | 141 | 72% | 0.719 | 82% | 0.819 | S | S | * | * | | | trans | 72.8 | 161.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 241 | P | 40.2 | Very low | 29.2 | Very low | 134 Ų | 134 | 140 Ų | 140 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | cis | -126 | -170.7 | 9.8 | 40.3 | -22.5 | 0 | 0 | 0 | 116.9 | | |
| 242 | A | 27.9 | Very low | 29.5 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | | | trans | -98 | -160.4 | -154.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 243 | E | 26 | Very low | 29.6 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | 103.2 | 129.9 | -175.6 | -51.9 | -109.5 | 135.6 | 0 | 0 | 111.5 | | |
| 244 | D | 27.3 | Very low | 29.5 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | cis | -158.4 | 164 | 7.7 | -161 | 1.6 | 0 | 0 | 0 | 112.1 | | |
| 245 | A | 29.5 | Very low | 29.5 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | trans | 29.9 | 127.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 125.8 | | |
| 246 | D | 27.5 | Very low | 29.6 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | trans | -68.5 | -173.8 | 159.6 | -105.3 | -33.4 | 0 | 0 | 0 | 114.5 | | |
| 247 | P | 48.5 | Very low | 29.7 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | cis | -138.5 | 178.4 | -38.2 | 38.8 | -22.2 | 0 | 0 | 0 | 113.8 | | |
| 248 | S | 26.1 | Very low | 29.7 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -165.5 | 141.6 | 143.1 | 48.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 249 | L | 28.4 | Very low | 29.8 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -22.1 | 158.6 | 159.3 | -69.3 | 96.5 | 0 | 0 | 0 | 118.8 | | |
| 250 | E | 30.8 | Very low | 29.9 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | cis | -164.6 | 177.1 | -12.3 | -117.6 | -147.4 | 144 | 0 | 0 | 108.8 | | |
| 251 | P | 39.9 | Very low | 29.8 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 57% | 0.571 | 78% | 0.78 | S | S | * | * | | | trans | -95.3 | 167.2 | -162.8 | 38.8 | -38.2 | 0 | 0 | 0 | 115.8 | | |
| 252 | Y | 30.4 | Very low | 29.1 | Very low | 237 Ų | 237 | 134.8 Ų | 134.8 | 93% | 0.929 | 78% | 0.775 | S | S | * | * | | | trans | -127.5 | 111.3 | 153.9 | -88.9 | -82 | 0 | 0 | 0 | 112.1 | | |
| 253 | L | 29 | Very low | 29 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | | | trans | -80.2 | 153.8 | 159.2 | -74.2 | 158.6 | 0 | 0 | 0 | 109.6 | | |
| 254 | V | 26.4 | Very low | 29 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | | 151.4 | 132.3 | 118.1 | 166.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 255 | A | 25.2 | Very low | 29 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | 70.4 | 113.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 256 | S | 28.1 | Very low | 29 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -74.4 | 178.2 | 152.9 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 257 | S | 26.8 | Very low | 29 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | 95.8 | 139.9 | 164.1 | -46.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 258 | Q | 28.6 | Very low | 27.9 | Very low | 183 Ų | 183 | 138 Ų | 138 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | cis | -160.7 | 134.7 | 22.9 | -149.6 | 169.1 | 22.4 | 0 | 0 | 114.3 | | |
| 259 | A | 26.1 | Very low | 28.1 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | 60 | 164.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 260 | L | 27.3 | Very low | 28.2 | Very low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | cis | -154.4 | 129.1 | 13.8 | -170.4 | 67.1 | 0 | 0 | 0 | 113 | | |
| 261 | T | 26.1 | Very low | 28.2 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | trans | 22.3 | 132.1 | 138.9 | -37.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 262 | Q | 26 | Very low | 27.9 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | | | | 179.4 | 147.2 | 75.1 | -162.6 | 173.9 | 85.8 | 0 | 0 | 114.7 | | |
| 263 | R | 24.7 | Very low | 28.1 | Very low | 222 Ų | 222 | 134.9 Ų | 134.9 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | | | trans | 69.8 | 109.9 | 153.1 | -104.5 | -179.3 | 171.3 | -149.7 | -5.4 | 121.8 | | |
| 264 | G | 26 | Very low | 28.4 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | -163.7 | 119.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 265 | Q | 27.2 | Very low | 28.9 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | | | trans | -87 | 142.7 | -177.6 | -70.5 | -172.8 | -103 | 0 | 0 | 110.9 | | |
| 266 | P | 30 | Very low | 29.6 | Very low | 95 Ų | 95 | 136 Ų | 136 | 62% | 0.617 | 73% | 0.733 | S | S | * | * | | | trans | -68 | 139.5 | 157.6 | 30.2 | -30.5 | 0 | 0 | 0 | 109.3 | D268 | P266-D268 PolarHBondContact O-N 3.38Š|
| 267 | L | 27.9 | Very low | 30 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | | | trans | -85.9 | 83.4 | 170.9 | -84.1 | 161.8 | 0 | 0 | 0 | 108.9 | F269 | L267-F269 HydrophobicContact CB-CD2 4.23Å; L267-F269 HydrophobicContact CB-CE2 3.93Å; L267-F269 HydrophobicContact CD2-CE2 4.25Å; L267-F269 HydrophobicContact CD2-CZ 4.34Å; L267-F269 HydrophobicContact CG-CE2 4.46Å; L267-F269 PolarHBondContact O-N 2.85Å |
| 268 | D | 25.1 | Very low | 30.4 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -67.9 | 91 | 172.2 | -68.7 | -42.1 | 0 | 0 | 0 | 110.4 | P266 H270 | P266-D268 PolarHBondContact O-N 3.38Å; D268-H270 VanDerWaalsContact C-N 3.26Å; D268-H270 PolarHBondContact O-N 3.29Å |
| 269 | F | 29.7 | Very low | 30.6 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | | | trans | -80.9 | 78.2 | 166.3 | -74.3 | -73.3 | 0 | 0 | 0 | 110.1 | L267 L271 | L267-F269 HydrophobicContact CB-CD2 4.23Å; L267-F269 HydrophobicContact CB-CE2 3.93Å; L267-F269 HydrophobicContact CD2-CE2 4.25Å; L267-F269 HydrophobicContact CD2-CZ 4.34Å; L267-F269 HydrophobicContact CG-CE2 4.46Å; L267-F269 PolarHBondContact O-N 2.85Å; F269-L271 PolarHBondContact O-N 2.97Å |
| 270 | H | 30.1 | Very low | 30.9 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | | | trans | -70.9 | 89.9 | 170.1 | -138.7 | -69 | 0 | 0 | 0 | 109 | D268 S272 | D268-H270 VanDerWaalsContact C-N 3.26Å; D268-H270 PolarHBondContact O-N 3.29Å; H270-S272 PolarHBondContact O-N 3.45Å |
| 271 | L | 31.8 | Very low | 31.1 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | | | trans | -67.4 | 126.6 | 172.4 | -67.1 | 172.1 | 0 | 0 | 0 | 109 | F269 | F269-L271 PolarHBondContact O-N 2.97Š|
| 272 | S | 33.9 | Very low | 31.2 | Very low | 65 Ų | 65 | 142.4 Ų | 142.4 | 46% | 0.455 | 74% | 0.741 | S | S | . | * | | | trans | -79.6 | 162.2 | 175.5 | 96 | 0 | 0 | 0 | 0 | 110.8 | H270 E274 D275 | H270-S272 PolarHBondContact O-N 3.45Å; S272-E274 WeakPolarHBondContact CB-OE2 3.32Å; S272-E274 PolarHBondContact O-N 2.88Å; S272-E274 PolarHBondContact OG-OE2 3.03Å; S272-D275 PolarHBondContact O-N 3.39Å |
| 273 | L | 35 | Very low | 31.5 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -65.9 | -20.1 | -173.4 | -166.3 | 62.3 | 0 | 0 | 0 | 112.6 | | |
| 274 | E | 35.2 | Very low | 31.8 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -67.7 | -29.7 | -179.9 | -73.5 | 64.9 | -148.2 | 0 | 0 | 114.2 | S272 L276 Y277 | S272-E274 WeakPolarHBondContact CB-OE2 3.32Å; S272-E274 PolarHBondContact O-N 2.88Å; S272-E274 PolarHBondContact OG-OE2 3.03Å; E274-L276 PolarHBondContact O-N 3Å; E274-L276 VanDerWaalsContact O-N 3.17Å; E274-Y277 PolarHBondContact O-N 2.73Å |
| 275 | D | 36.7 | Very low | 32 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -70.4 | -11 | -178.7 | -83.2 | -22.3 | 0 | 0 | 0 | 113.1 | S272 Y277 | S272-D275 PolarHBondContact O-N 3.39Å; D275-Y277 VanDerWaalsContact C-N 3.26Å; D275-Y277 PolarHBondContact O-N 3.06Å |
| 276 | L | 39.7 | Very low | 32.2 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -81 | 1.2 | -179.7 | -141.4 | 73.4 | 0 | 0 | 0 | 114.2 | E274 | E274-L276 PolarHBondContact O-N 3Å; E274-L276 VanDerWaalsContact O-N 3.17Å |
| 277 | Y | 35.1 | Very low | 32 | Very low | 204 Ų | 204 | 135.8 Ų | 135.8 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -102.4 | 1.7 | -173.5 | -133.7 | -91.6 | 0 | 0 | 0 | 115.9 | E274 D275 C279 | E274-Y277 PolarHBondContact O-N 2.73Å; D275-Y277 VanDerWaalsContact C-N 3.26Å; D275-Y277 PolarHBondContact O-N 3.06Å; Y277-C279 PolarHBondContact O-N 3.45Å |
| 278 | C | 35.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -89.6 | 18.8 | -175.5 | -71.3 | 0 | 0 | 0 | 0 | 116 | | |
| 279 | C | 33.1 | Very low | 32.3 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -116.2 | 54 | 178.4 | -71 | 0 | 0 | 0 | 0 | 113.9 | Y277 | Y277-C279 PolarHBondContact O-N 3.45Š|
| 280 | M | 31.8 | Very low | 32.3 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -128.3 | 126.6 | 165.9 | -75.7 | -64.3 | -68.7 | 0 | 0 | 110.2 | Q282 | M280-Q282 PolarHBondContact O-N 3.23Š|
| 281 | P | 31.6 | Very low | 32.3 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | trans | -67.4 | 114.7 | 176.9 | -20.2 | 32.8 | 0 | 0 | 0 | 111.7 | L283 | P281-L283 PolarHBondContact O-N 3.16Š|
| 282 | Q | 29.3 | Very low | 32.1 | Very low | 158 Ų | 158 | 136 Ų | 136 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -70 | 118.9 | 173 | -178.6 | 174.5 | -27.9 | 0 | 0 | 110.2 | M280 D284 | M280-Q282 PolarHBondContact O-N 3.23Å; Q282-D284 PolarHBondContact NE2-OD1 2.98Å |
| 283 | L | 32.3 | Very low | 31.8 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | | | trans | -93.9 | 92.1 | 172.3 | -99.9 | 168.2 | 0 | 0 | 0 | 109.5 | P281 A285 | P281-L283 PolarHBondContact O-N 3.16Å; L283-A285 PolarHBondContact O-N 3.09Å |
| 284 | D | 31.1 | Very low | 31.7 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | | | trans | -70.3 | 117.9 | 174.2 | -77.3 | -25.4 | 0 | 0 | 0 | 111.2 | Q282 A286 | Q282-D284 PolarHBondContact NE2-OD1 2.98Å; D284-A286 PolarHBondContact O-N 3.24Å |
| 285 | A | 30.3 | Very low | 31.3 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | -89 | 98.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L283 | L283-A285 PolarHBondContact O-N 3.09Š|
| 286 | A | 30.2 | Very low | 30.8 | Very low | 101 Ų | 101 | 143 Ų | 143 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -123.1 | 94.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | D284 | D284-A286 PolarHBondContact O-N 3.24Š|
| 287 | G | 27.4 | Very low | 30.4 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -107.6 | 113.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 288 | D | 29.8 | Very low | 30.4 | Very low | 166 Ų | 166 | 138 Ų | 138 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -142 | 155.5 | 141.2 | -147.8 | -4.9 | 0 | 0 | 0 | 111.7 | | |
| 289 | R | 28.5 | Very low | 29.9 | Very low | 192 Ų | 192 | 143 Ų | 143 | 73% | 0.725 | 80% | 0.8 | S | S | * | * | | | trans | -103.5 | 143.8 | -159 | 164.7 | -169.2 | 171.6 | -155.2 | 2.3 | 110.4 | E291 | R289-E291 IonicContact CZ-OE1 3.01Å; R289-E291 VanDerWaalsContact CZ-OE1 3.23Å; R289-E291 IonicContact NE-OE1 3.11Å; R289-E291 PolarHBondContact NE-OE1 3.4Å; R289-E291 IonicContact NH2-OE1 2.64Å; R289-E291 PolarHBondContact NH2-OE1 3.13Å |
| 290 | L | 29.3 | Very low | 29.6 | Very low | 172 Ų | 172 | 145 Ų | 145 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -149.7 | 152.8 | 151.7 | -105.7 | 170.9 | 0 | 0 | 0 | 112.4 | | |
| 291 | E | 30 | Very low | 29.3 | Very low | 122 Ų | 122 | 142 Ų | 142 | 57% | 0.57 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 153.1 | -156.2 | -66.6 | -78.4 | 131 | 0 | 0 | 115.7 | R289 | R289-E291 IonicContact CZ-OE1 3.01Å; R289-E291 VanDerWaalsContact CZ-OE1 3.23Å; R289-E291 IonicContact NE-OE1 3.11Å; R289-E291 PolarHBondContact NE-OE1 3.4Å; R289-E291 IonicContact NH2-OE1 2.64Å; R289-E291 PolarHBondContact NH2-OE1 3.13Å |
| 292 | P | 28.8 | Very low | 29.2 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 119.9 | 166.7 | 32.3 | -31.1 | 0 | 0 | 0 | 111.2 | | |
| 293 | R | 27.6 | Very low | 29.1 | Very low | 245 Ų | 245 | 137.4 Ų | 137.4 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 143.6 | 171.8 | -156.9 | 177.7 | -175.1 | -150.5 | 0.1 | 111.3 | | |
| 294 | S | 31.9 | Very low | 28.8 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 166.7 | -171 | 51.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 295 | E | 26.5 | Very low | 28.7 | Very low | 197 Ų | 197 | 135 Ų | 135 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | 105.9 | 131.8 | 142.6 | -157.8 | 156 | -152 | 0 | 0 | 118 | | |
| 296 | G | 27.1 | Very low | 28.4 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | 136.8 | 75.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 297 | V | 30.7 | Very low | 28.2 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | | | trans | -97.5 | 138.5 | 164 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 298 | P | 35.9 | Very low | 28.1 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | | -133.8 | 128.5 | 128.7 | 24.9 | -7.6 | 0 | 0 | 0 | 114.2 | | |
| 299 | R | 25.8 | Very low | 28.9 | Very low | 222 Ų | 222 | 139 Ų | 139 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -40.1 | 159.4 | 154.3 | -58.2 | 169.7 | 173.4 | -152.5 | -3.9 | 114 | | |
| 300 | I | 26.5 | Very low | 28.8 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | | -176.7 | 138 | 118.2 | -95.5 | 155.4 | 0 | 0 | 0 | 112.1 | | |
| 301 | A | 25.6 | Very low | 28.8 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | 58.4 | 157.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 302 | S | 28.8 | Very low | 28.7 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | cis | -174.4 | 157.4 | -27.1 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 303 | G | 26.4 | Very low | 28.7 | Very low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | 90.2 | 141.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 304 | V | 27.5 | Very low | 28.7 | Very low | 133 Ų | 133 | 123 Ų | 123 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | cis | 166.9 | 149.2 | -26.3 | 139.5 | 0 | 0 | 0 | 0 | 106 | | |
| 305 | S | 28.3 | Very low | 28.6 | Very low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | 89.1 | 129.2 | 161.8 | -73.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 306 | E | 25 | Very low | 28.6 | Very low | 181 Ų | 181 | 122.7 Ų | 122.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -89.9 | 165.3 | 176.8 | -51.6 | 152.3 | 133.3 | 0 | 0 | 110.8 | | |
| 307 | S | 24.9 | Very low | 29.2 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | | -168.3 | 131.8 | 125.3 | 15.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 308 | C | 25.7 | Very low | 28.9 | Very low | 119 Ų | 119 | 124 Ų | 124 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -91 | -157.4 | 165.6 | -45.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 309 | P | 47.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | cis | -131.5 | -162.8 | -21.2 | 36.2 | -16.4 | 0 | 0 | 0 | 111.4 | | |
| 310 | S | 26.1 | Very low | 28.4 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | | 154.2 | 126.1 | 115 | -166.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 311 | V | 29.3 | Very low | 28.4 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | 57.5 | 134.9 | 147.3 | 173.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 312 | G | 27.6 | Very low | 28.6 | Very low | 65 Ų | 65 | 117.6 Ų | 117.6 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | cis | 156.4 | 170.3 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 313 | S | 27.7 | Very low | 28.6 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 61.8 | 98.4 | 165.3 | -171.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 314 | A | 28.4 | Very low | 28.7 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | | 80.4 | 135.8 | 74.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 315 | T | 29.2 | Very low | 28.5 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | | 170.4 | 125.1 | 129 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 316 | D | 26.5 | Very low | 28.4 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | -74.9 | -165.3 | 169.9 | -68.1 | -63.1 | 0 | 0 | 0 | 110.7 | | |
| 317 | P | 41.2 | Very low | 28.4 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | cis | -147.7 | 178.6 | 4.3 | 42.9 | -21.6 | 0 | 0 | 0 | 119.4 | | |
| 318 | S | 24 | Very low | 28.4 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | 84.5 | 157.8 | 133.3 | -92.6 | 0 | 0 | 0 | 0 | 124.3 | | |
| 319 | A | 24.9 | Very low | 28.6 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | 77.5 | 99.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 320 | S | 25.3 | Very low | 27.6 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | cis | 83.6 | 107.3 | 43.8 | 84.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 321 | S | 27.8 | Very low | 27.6 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -166.8 | 121.9 | 141.4 | -77.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 322 | Q | 28.1 | Very low | 27.5 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | | 51.8 | 134.1 | 79 | -74.3 | -172.1 | -32 | 0 | 0 | 112.3 | | |
| 323 | Q | 29.2 | Very low | 27.6 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | | | cis | -161.4 | 167.1 | 6.7 | -141.8 | 119.2 | -124.5 | 0 | 0 | 107.2 | | |
| 324 | Q | 28.1 | Very low | 27.5 | Very low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | cis | -155 | 170 | 4.3 | -154.6 | 167.8 | 56.9 | 0 | 0 | 112.4 | | |
| 325 | R | 24.7 | Very low | 27.4 | Very low | 223 Ų | 223 | 132.9 Ų | 132.9 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | -19.5 | 139.1 | 161 | -59.2 | 164.6 | 177.5 | 168.4 | -2.9 | 119.8 | | |
| 326 | A | 26.2 | Very low | 27.3 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | | | | 176.1 | 145.7 | 102 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 327 | G | 25.4 | Very low | 27.4 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | cis | 168.5 | 139.7 | -9.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 328 | S | 23.9 | Very low | 26.8 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | 55.1 | 115.4 | 166.6 | -166 | 0 | 0 | 0 | 0 | 117.8 | | |
| 329 | S | 29.2 | Very low | 27.1 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | | -172.2 | 140.1 | 68.6 | 31.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 330 | D | 26 | Very low | 27.2 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | -78.1 | 131.8 | 167.7 | -95.9 | -58.5 | 0 | 0 | 0 | 111 | | |
| 331 | V | 28.1 | Very low | 27.3 | Very low | 137 Ų | 137 | 156.1 Ų | 156.1 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | | | trans | -135.2 | 96.4 | 150.9 | -178.8 | 0 | 0 | 0 | 0 | 109 | | |
| 332 | R | 27 | Very low | 27.5 | Very low | 228 Ų | 228 | 162.5 Ų | 162.5 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | -83.5 | 114 | 169.3 | 170.3 | -166.2 | -81.6 | -167.2 | -6.3 | 109.4 | | |
| 333 | L | 28.8 | Very low | 27.8 | Very low | 168 Ų | 168 | 163.7 Ų | 163.7 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | | | trans | -143.6 | 156.2 | 150.1 | -83.4 | -173.3 | 0 | 0 | 0 | 111.3 | | |
| 334 | S | 26.2 | Very low | 28 | Very low | 110 Ų | 110 | 161.7 Ų | 161.7 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | | | trans | -112.7 | 170 | -156.6 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 335 | A | 25.9 | Very low | 28.2 | Very low | 87 Ų | 87 | 159.2 Ų | 159.2 | 72% | 0.719 | 83% | 0.834 | S | S | * | * | | | trans | 86.1 | 112.4 | 155 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 336 | Q | 27.3 | Very low | 28.7 | Very low | 174 Ų | 174 | 155.1 Ų | 155.1 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | | | trans | 44.1 | 122.4 | 139.3 | -60.7 | -178.1 | -6.2 | 0 | 0 | 119.9 | | |
| 337 | H | 27.7 | Very low | 29.1 | Very low | 189 Ų | 189 | 159 Ų | 159 | 88% | 0.875 | 83% | 0.83 | S | S | * | * | | | | -167.4 | 144.3 | 111.3 | -95 | -61.6 | 0 | 0 | 0 | 111.6 | | |
| 338 | H | 29.3 | Very low | 29.7 | Very low | 193 Ų | 193 | 167.1 Ų | 167.1 | 89% | 0.894 | 84% | 0.838 | S | S | * | * | | | trans | -58.8 | 138.9 | 171.1 | -77.8 | -79 | 0 | 0 | 0 | 111.9 | | |
| 339 | R | 29.3 | Very low | 30.5 | Very low | 246 Ų | 246 | 169.1 Ų | 169.1 | 93% | 0.928 | 84% | 0.839 | S | S | * | * | | | trans | -146.6 | 126.2 | 152.4 | -131 | 174.3 | -172.7 | -176.3 | 2.5 | 113.9 | R341 | R339-R341 PolarHBondContact O-N 3.24Š|
| 340 | M | 27.8 | Very low | 30.9 | Very low | 177 Ų | 177 | 168.2 Ų | 168.2 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | | | trans | -51.3 | 125.6 | 177 | -119.9 | 71.4 | 158.8 | 0 | 0 | 112.6 | R342 | M340-R342 PolarHBondContact O-N 3.07Å; M340-R342 VanDerWaalsContact O-N 3.17Å |
| 341 | R | 27.3 | Very low | 31.6 | Very low | 228 Ų | 228 | 166 Ų | 166 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -77.2 | 95.8 | 165.6 | -172.6 | 178.2 | -175.6 | -176.1 | 2.8 | 109.2 | R339 K343 | R339-R341 PolarHBondContact O-N 3.24Å; R341-K343 PolarHBondContact O-N 2.95Å |
| 342 | R | 32.8 | Very low | 32.3 | Very low | 241 Ų | 241 | 163.6 Ų | 163.6 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -63.5 | 106.1 | 171.3 | -66.1 | -177.2 | -176.6 | -178.3 | 0.8 | 109.3 | M340 | M340-R342 PolarHBondContact O-N 3.07Å; M340-R342 VanDerWaalsContact O-N 3.17Å |
| 343 | K | 33.2 | Very low | 33 | Very low | 186 Ų | 186 | 162.8 Ų | 162.8 | 81% | 0.809 | 81% | 0.811 | S | S | * | * | | | trans | -76.3 | 121.6 | 160.2 | -77.2 | -177.3 | 174.6 | -179.4 | 0 | 107.5 | R341 A345 | R341-K343 PolarHBondContact O-N 2.95Å; K343-A345 PolarHBondContact O-N 3Å |
| 344 | A | 32.9 | Very low | 33.4 | Very low | 98 Ų | 98 | 161 Ų | 161 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -68.7 | 111.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V346 | A344-V346 PolarHBondContact O-N 3.44Š|
| 345 | A | 33 | Very low | 33.7 | Very low | 92 Ų | 92 | 160.3 Ų | 160.3 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -75.2 | 107.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | K343 K347 | K343-A345 PolarHBondContact O-N 3Å; A345-K347 PolarHBondContact O-N 3.4Å |
| 346 | V | 36.1 | Very low | 34.3 | Very low | 138 Ų | 138 | 161.3 Ų | 161.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -64.7 | 107.4 | 165.5 | 177.7 | 0 | 0 | 0 | 0 | 106.8 | A344 R348 | A344-V346 PolarHBondContact O-N 3.44Å; V346-R348 PolarHBondContact O-N 2.65Å |
| 347 | K | 34.8 | Very low | 34.7 | Very low | 189 Ų | 189 | 160.7 Ų | 160.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 119.5 | 170 | -75.8 | -175 | 175 | -176.5 | 0 | 107.6 | A345 L349 | A345-K347 PolarHBondContact O-N 3.4Å; K347-L349 PolarHBondContact O-N 3.18Å |
| 348 | R | 38.1 | Very low | 34.9 | Very low | 242 Ų | 242 | 162.8 Ų | 162.8 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.5 | 162.4 | -84.7 | -175.7 | 155.5 | -162.2 | -7.2 | 107.8 | V346 | V346-R348 PolarHBondContact O-N 2.65Š|
| 349 | L | 39.5 | Very low | 35.1 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 141.2 | 170.2 | -69.2 | 170.1 | 0 | 0 | 0 | 108.9 | K347 | K347-L349 PolarHBondContact O-N 3.18Š|
| 350 | D | 38.2 | Very low | 35.2 | Very low | 90 Ų | 90 | 152.8 Ų | 152.8 | 48% | 0.481 | 78% | 0.775 | S | S | . | * | P | Polyproline II helix | trans | -73 | 121.2 | 179.7 | 176.4 | 8.7 | 0 | 0 | 0 | 110.2 | A352 R353 | D350-A352 PolarHBondContact O-N 3.02Å; D350-A352 VanDerWaalsContact O-N 3.14Å; D350-A352 WeakPolarHBondContact OD1-CB 3.3Å; D350-A352 PolarHBondContact OD1-N 2.64Å; D350-R353 PolarHBondContact O-N 3.11Å |
| 351 | P | 40.9 | Very low | 35.5 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -57.5 | -24.4 | 177.5 | -24.9 | 35.2 | 0 | 0 | 0 | 114.1 | R353 | P351-R353 PolarHBondContact O-N 2.93Å; P351-R353 VanDerWaalsContact O-N 3.14Å |
| 352 | A | 41.1 | Very low | 36.1 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -72.2 | 0.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D350 | D350-A352 PolarHBondContact O-N 3.02Å; D350-A352 VanDerWaalsContact O-N 3.14Å; D350-A352 WeakPolarHBondContact OD1-CB 3.3Å; D350-A352 PolarHBondContact OD1-N 2.64Å |
| 353 | R | 41.8 | Very low | 36.6 | Very low | 212 Ų | 212 | 137.7 Ų | 137.7 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -109.5 | 12.2 | -178.5 | -67.9 | -169.9 | 168.9 | -134.2 | -6.4 | 115.1 | D350 P351 | D350-R353 PolarHBondContact O-N 3.11Å; P351-R353 PolarHBondContact O-N 2.93Å; P351-R353 VanDerWaalsContact O-N 3.14Å |
| 354 | L | 38.1 | Very low | 36.8 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -89.3 | 133.7 | 171 | -67.5 | 175.9 | 0 | 0 | 0 | 110.7 | C356 | L354-C356 PolarHBondContact O-N 3.31Š|
| 355 | P | 32.8 | Very low | 37 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 62% | 0.623 | 75% | 0.753 | S | S | * | * | | | trans | -69.2 | 99.2 | 175.5 | -19.4 | 32.9 | 0 | 0 | 0 | 112.2 | H357 | P355-H357 WeakPolarHBondContact CB-NE2 3.49Å; P355-H357 PolarHBondContact O-N 3.02Å; P355-H357 VanDerWaalsContact O-N 3.11Å |
| 356 | C | 38 | Very low | 37.3 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | | | trans | -80.4 | 83.6 | 174.4 | -69.5 | 0 | 0 | 0 | 0 | 111 | L354 W358 | L354-C356 PolarHBondContact O-N 3.31Å; C356-W358 PolarHBondContact O-N 3.46Å; C356-W358 VanDerWaalsContact O-N 3.17Å |
| 357 | H | 37 | Very low | 37.2 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | trans | -85.8 | 74.9 | 177.4 | -56.2 | -53 | 0 | 0 | 0 | 112.3 | P355 | P355-H357 WeakPolarHBondContact CB-NE2 3.49Å; P355-H357 PolarHBondContact O-N 3.02Å; P355-H357 VanDerWaalsContact O-N 3.11Å |
| 358 | W | 30.1 | Very low | 37.2 | Very low | 233 Ų | 233 | 136.7 Ų | 136.7 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | | | trans | -95.7 | 100.8 | 161.9 | -67.2 | 88.8 | 0 | 0 | 0 | 108.5 | C356 | C356-W358 PolarHBondContact O-N 3.46Å; C356-W358 VanDerWaalsContact O-N 3.17Å |
| 359 | V | 34.5 | Very low | 36.9 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | | | trans | -103.9 | 104.1 | 174 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | P361 | V359-P361 VanDerWaalsContact O-CD 3.24Å; V359-P361 WeakPolarHBondContact O-CD 3.36Å |
| 360 | C | 31.1 | Very low | 36.6 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | | | trans | -92.2 | 103.5 | 165.2 | -66.8 | 0 | 0 | 0 | 0 | 108 | V362 | C360-V362 PolarHBondContact O-N 2.74Š|
| 361 | P | 34.8 | Very low | 36.4 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -72.3 | 99.9 | 174.4 | 29.7 | -33.1 | 0 | 0 | 0 | 109.5 | V359 A363 | V359-P361 VanDerWaalsContact O-CD 3.24Å; V359-P361 WeakPolarHBondContact O-CD 3.36Å; P361-A363 PolarHBondContact O-N 3.48Å |
| 362 | V | 39.1 | Very low | 36 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | | | trans | -77.4 | 98.5 | 164.3 | -176.3 | 0 | 0 | 0 | 0 | 107 | C360 | C360-V362 PolarHBondContact O-N 2.74Š|
| 363 | A | 42.6 | Very low | 35.3 | Very low | 71 Ų | 71 | 142.3 Ų | 142.3 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | | | trans | -114.4 | 116.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P361 | P361-A363 PolarHBondContact O-N 3.48Š|
| 364 | E | 38.7 | Very low | 34.9 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | -87.7 | 116.7 | 173.5 | -170.6 | 174.1 | -168.6 | 0 | 0 | 109 | L366 | E364-L366 PolarHBondContact O-N 2.97Š|
| 365 | V | 37.8 | Very low | 34.7 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -84.9 | 96.8 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | V367 | V365-V367 PolarHBondContact O-N 3.37Š|
| 366 | L | 38.8 | Very low | 34.6 | Very low | 145 Ų | 145 | 145 Ų | 145 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 118.3 | 171.2 | -71.7 | 170.1 | 0 | 0 | 0 | 110 | E364 P368 | E364-L366 PolarHBondContact O-N 2.97Å; L366-P368 WeakPolarHBondContact O-CD 3.35Å |
| 367 | V | 33.8 | Very low | 34.3 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 122.4 | 169.3 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | V365 | V365-V367 PolarHBondContact O-N 3.37Š|
| 368 | P | 34.4 | Very low | 33.7 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 158.8 | 175.2 | -20.7 | 34.3 | 0 | 0 | 0 | 112.8 | L366 | L366-P368 WeakPolarHBondContact O-CD 3.35Š|
| 369 | D | 31.9 | Very low | 33.8 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | 79.6 | 82.9 | 165.1 | -52.9 | -25.7 | 0 | 0 | 0 | 118.7 | | |
| 370 | S | 33 | Very low | 33.3 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | -136.9 | 64.2 | 145.1 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | T372 | S370-T372 PolarHBondContact O-N 3.4Š|
| 371 | Q | 34.1 | Very low | 33.1 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -71.6 | 124 | 173.4 | -74.6 | -163.1 | 27 | 0 | 0 | 112.1 | | |
| 372 | T | 32.1 | Very low | 33.1 | Very low | 120 Ų | 120 | 156.2 Ų | 156.2 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | | | trans | 59 | 110.2 | 145.4 | 60 | 0 | 0 | 0 | 0 | 119.7 | S370 | S370-T372 PolarHBondContact O-N 3.4Š|
| 373 | R | 26.9 | Very low | 32.6 | Very low | 247 Ų | 247 | 161.1 Ų | 161.1 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | | | | -137.7 | 151 | 126 | -71.8 | -160 | 176.1 | -173.2 | -0.4 | 110.7 | | |
| 374 | P | 32.8 | Very low | 31.9 | Very low | 122 Ų | 122 | 161.1 Ų | 161.1 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | | | trans | -87.7 | 161.5 | -163.4 | -7.2 | 27.1 | 0 | 0 | 0 | 114.1 | E376 | P374-E376 PolarHBondContact O-N 2.88Š|
| 375 | L | 34.6 | Very low | 31.7 | Very low | 178 Ų | 178 | 162.1 Ų | 162.1 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | | | trans | -63.1 | 123.5 | 166.3 | -90.2 | 74.3 | 0 | 0 | 0 | 110.8 | | |
| 376 | E | 30.8 | Very low | 31.5 | Very low | 194 Ų | 194 | 166 Ų | 166 | 91% | 0.907 | 84% | 0.842 | S | S | * | * | | | trans | -107.1 | 117.5 | 159.3 | -75.5 | -172.6 | 142.6 | 0 | 0 | 110.4 | P374 | P374-E376 PolarHBondContact O-N 2.88Š|
| 377 | A | 31.4 | Very low | 31.1 | Very low | 101 Ų | 101 | 165.6 Ų | 165.6 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -81 | 124.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 378 | Y | 25 | Very low | 30.9 | Very low | 236 Ų | 236 | 169 Ų | 169 | 93% | 0.925 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 118.6 | 164.5 | -130 | -94.4 | 0 | 0 | 0 | 111.4 | | |
| 379 | R | 30.8 | Very low | 30.4 | Very low | 241 Ų | 241 | 168.9 Ų | 168.9 | 91% | 0.909 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 129.2 | -176.1 | -170.5 | -162.3 | -63.8 | -121.3 | 5.7 | 110.3 | | |
| 380 | G | 25.3 | Very low | 30.2 | Very low | 73 Ų | 73 | 173.9 Ų | 173.9 | 75% | 0.753 | 87% | 0.865 | S | S | * | * | | | trans | 123.5 | 142.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 381 | R | 26.2 | Very low | 29.9 | Very low | 234 Ų | 234 | 172.4 Ų | 172.4 | 88% | 0.883 | 86% | 0.86 | S | S | * | * | | | cis | -152.5 | 135.7 | 17.2 | 175.9 | -168.8 | -64.3 | -92.4 | 3.3 | 110.2 | | |
| 382 | Q | 34.2 | Very low | 29.5 | Very low | 193 Ų | 193 | 171.8 Ų | 171.8 | 90% | 0.902 | 86% | 0.858 | S | S | * | * | | | trans | -67.4 | 137.1 | 170.9 | -81.2 | -176.9 | -17.9 | 0 | 0 | 112.7 | | |
| 383 | R | 29.9 | Very low | 29.2 | Very low | 249 Ų | 249 | 174 Ų | 174 | 94% | 0.94 | 86% | 0.864 | S | S | * | * | | | trans | -168.2 | 128.5 | 155.6 | -113.7 | -176.5 | -163.9 | -116.5 | 3.4 | 107.1 | | |
| 384 | G | 27.8 | Very low | 29.3 | Very low | 71 Ų | 71 | 170.2 Ų | 170.2 | 73% | 0.732 | 86% | 0.857 | S | S | * | * | | | cis | 179.4 | 131.3 | -9.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 385 | E | 33.6 | Very low | 29 | Very low | 195 Ų | 195 | 168.7 Ų | 168.7 | 91% | 0.911 | 86% | 0.855 | S | S | * | * | | | trans | -63.5 | 143.2 | -173.4 | -62.5 | 175.2 | 122.5 | 0 | 0 | 112.3 | | |
| 386 | K | 34.1 | Very low | 28.7 | Very low | 212 Ų | 212 | 168.8 Ų | 168.8 | 92% | 0.922 | 86% | 0.855 | S | S | * | * | | | trans | -132.7 | 115.2 | 160.3 | -84.4 | -170.7 | 174.7 | -180 | 0 | 110.6 | | |
| 387 | T | 29.8 | Very low | 28.5 | Very low | 137 Ų | 137 | 162.6 Ų | 162.6 | 84% | 0.84 | 84% | 0.844 | S | S | * | * | | | trans | -79.1 | 174.2 | 177.4 | -18.2 | 0 | 0 | 0 | 0 | 112 | | |
| 388 | K | 29.4 | Very low | 28.9 | Very low | 203 Ų | 203 | 163.8 Ų | 163.8 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | | | trans | 85.7 | 139.5 | 178.6 | -78.5 | -177.3 | 173.8 | 179.8 | 0 | 115.6 | | |
| 389 | A | 25.4 | Very low | 28.9 | Very low | 98 Ų | 98 | 157.6 Ų | 157.6 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | | | cis | -145 | 164.4 | 3.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 390 | R | 27.4 | Very low | 28.8 | Very low | 253 Ų | 253 | 152.1 Ų | 152.1 | 96% | 0.955 | 83% | 0.828 | S | S | * | * | | | trans | -90.7 | 126 | 177.3 | 170.8 | -168.2 | -175.7 | -170.5 | 3.4 | 110.8 | | |
| 391 | A | 26.6 | Very low | 29 | Very low | 95 Ų | 95 | 160 Ų | 160 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | | | trans | -169.3 | 147.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 392 | E | 24.4 | Very low | 29.1 | Very low | 156 Ų | 156 | 155.3 Ų | 155.3 | 73% | 0.729 | 83% | 0.831 | S | S | * | * | | | cis | -152.1 | 143.7 | -23.8 | -176.7 | 179 | 140.4 | 0 | 0 | 105.8 | Q394 | E392-Q394 PolarHBondContact OE1-NE2 3.25Š|
| 393 | L | 27.3 | Very low | 29 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | | | trans | -100.8 | 104.2 | -174 | -145.5 | 165.2 | 0 | 0 | 0 | 108.8 | | |
| 394 | Q | 27.9 | Very low | 29.1 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | | | trans | -129.3 | 141.3 | 167.2 | -66.5 | -160.2 | 33.1 | 0 | 0 | 110.5 | E392 | E392-Q394 PolarHBondContact OE1-NE2 3.25Š|
| 395 | A | 27.4 | Very low | 29 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | | | trans | -124.2 | 147 | -162.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 396 | L | 28.1 | Very low | 28.8 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | | | trans | -154.2 | 124.5 | 151.8 | -147.4 | 68.1 | 0 | 0 | 0 | 109.1 | | |
| 397 | G | 27.4 | Very low | 28.6 | Very low | 65 Ų | 65 | 140.5 Ų | 140.5 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | | | trans | -97 | -150.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 398 | P | 38.9 | Very low | 28.8 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | cis | -133.2 | 173.2 | -15.3 | 40.4 | -25.4 | 0 | 0 | 0 | 114 | | |
| 399 | S | 25.6 | Very low | 28.8 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | trans | 62.3 | 114 | 152.6 | -175.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 400 | T | 28.9 | Very low | 29 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | | -147.8 | 119 | 114.8 | -68.4 | 0 | 0 | 0 | 0 | 108.8 | V402 | T400-V402 HydrophobicContact CG2-CG2 4.36Š|
| 401 | R | 29.4 | Very low | 29 | Very low | 239 Ų | 239 | 142 Ų | 142 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 121.1 | 167.7 | -74.1 | -164.5 | -87.6 | -160.3 | -4.5 | 108.4 | | |
| 402 | V | 28.2 | Very low | 29.4 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 116.7 | 168.5 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | T400 | T400-V402 HydrophobicContact CG2-CG2 4.36Š|
| 403 | S | 31.5 | Very low | 29.6 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 150.4 | 174.7 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | A405 | S403-A405 PolarHBondContact O-N 3.06Š|
| 404 | P | 31.5 | Very low | 29.8 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 134.2 | 176.2 | -16.2 | 30.2 | 0 | 0 | 0 | 111.2 | | |
| 405 | A | 27.2 | Very low | 30.1 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 134.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S403 | S403-A405 PolarHBondContact O-N 3.06Š|
| 406 | A | 29.5 | Very low | 30.1 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 65% | 0.653 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 128.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 407 | F | 28.5 | Very low | 30 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 126.9 | 164.6 | -76.4 | -95.2 | 0 | 0 | 0 | 109.8 | | |
| 408 | F | 33.5 | Very low | 30.1 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 122.1 | 171.9 | -73.3 | -82.9 | 0 | 0 | 0 | 110.4 | | |
| 409 | P | 30.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 126.3 | 174.8 | 30.7 | -32.6 | 0 | 0 | 0 | 110.9 | | |
| 410 | L | 28.9 | Very low | 29.8 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 127.7 | 171.7 | -69.4 | 168.3 | 0 | 0 | 0 | 110.2 | | |
| 411 | R | 28.4 | Very low | 29.9 | Very low | 242 Ų | 242 | 147.9 Ų | 147.9 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 139.7 | 173.5 | -78.9 | -172.3 | 170.5 | -171.3 | -2.3 | 111.4 | | |
| 412 | P | 35 | Very low | 29.7 | Very low | 130 Ų | 130 | 140 Ų | 140 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 152.5 | 177.6 | 35.1 | -33.9 | 0 | 0 | 0 | 114.3 | | |
| 413 | G | 27.2 | Very low | 30.2 | Very low | 71 Ų | 71 | 139.7 Ų | 139.7 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | trans | 102 | 142.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 414 | V | 32.1 | Very low | 29.9 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | cis | -144.7 | -164.3 | 13 | -147.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 415 | P | 33.6 | Very low | 29.7 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | | | | -97.2 | 161.7 | -127.6 | 40.9 | -27.1 | 0 | 0 | 0 | 116.2 | | |
| 416 | F | 27.2 | Very low | 29.8 | Very low | 219 Ų | 219 | 144.5 Ų | 144.5 | 96% | 0.961 | 81% | 0.81 | S | S | * | * | | | trans | -81 | 135 | 170.1 | -73.8 | -82 | 0 | 0 | 0 | 112.5 | | |
| 417 | R | 27.4 | Very low | 29.7 | Very low | 244 Ų | 244 | 150.2 Ų | 150.2 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | trans | -108.1 | 127.4 | 173.6 | -158.5 | -178 | -158.1 | -117.9 | 7.6 | 108.2 | | |
| 418 | A | 29.9 | Very low | 29.8 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | | | trans | -79.5 | 145.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 419 | L | 30.5 | Very low | 29.6 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | | | | -178.5 | 134 | 116.1 | -113.9 | 69.5 | 0 | 0 | 0 | 111.8 | | |
| 420 | D | 26.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | | | trans | 71.4 | 130.4 | 137.9 | -58.6 | -11.3 | 0 | 0 | 0 | 125.9 | | |
| 421 | S | 31.5 | Very low | 29.4 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | 72.4 | 125.2 | 143.5 | -59 | 0 | 0 | 0 | 0 | 120.9 | | |
| 422 | G | 25 | Very low | 29.6 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | trans | -78.4 | -166.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 423 | P | 39.2 | Very low | 29.3 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | cis | -142.7 | 174.7 | 35 | 41.9 | -23.5 | 0 | 0 | 0 | 118.1 | | |
| 424 | A | 24.7 | Very low | 29.4 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | 64.4 | 124 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 425 | L | 28.4 | Very low | 29.2 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | | -165.5 | 151 | 114.2 | -101.4 | 168.3 | 0 | 0 | 0 | 112.5 | | |
| 426 | Q | 29 | Very low | 28.9 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | | | trans | -74.8 | 155.6 | -160.9 | -58.3 | 157.6 | 2.6 | 0 | 0 | 115.3 | | |
| 427 | F | 26.4 | Very low | 29.2 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | | | trans | -126 | 140.8 | 153.8 | -73.6 | -74.5 | 0 | 0 | 0 | 110.3 | | |
| 428 | P | 31.5 | Very low | 29.3 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -87.8 | 146.1 | -170.4 | 33.9 | -35.3 | 0 | 0 | 0 | 114.1 | | |
| 429 | T | 28.2 | Very low | 29.2 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 69% | 0.687 | 81% | 0.814 | S | S | * | * | | | trans | -73.4 | 137.9 | 175.2 | -36.6 | 0 | 0 | 0 | 0 | 112.3 | N431 | T429-N431 WeakPolarHBondContact CG2-ND2 3.41Š|
| 430 | L | 29.6 | Very low | 29.2 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | | | trans | -131.7 | 107 | 154.2 | -76.3 | 178.5 | 0 | 0 | 0 | 110 | | |
| 431 | N | 27.3 | Very low | 29.6 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 83% | 0.825 | S | S | * | * | | | trans | -89 | 133.3 | 165.4 | -73.5 | -77.1 | 0 | 0 | 0 | 108.7 | T429 | T429-N431 WeakPolarHBondContact CG2-ND2 3.41Š|
| 432 | L | 31.7 | Very low | 29.9 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | | | trans | -126.9 | 125.6 | 155.4 | -126.2 | 78.8 | 0 | 0 | 0 | 107.8 | | |
| 433 | G | 28.3 | Very low | 30.4 | Very low | 68 Ų | 68 | 148.7 Ų | 148.7 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | | | trans | -97.4 | 145.6 | -167 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 434 | L | 30.6 | Very low | 30.1 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 88% | 0.88 | 83% | 0.832 | S | S | * | * | | | trans | 39.3 | 120 | 135.3 | -64.1 | 165.9 | 0 | 0 | 0 | 119 | | |
| 435 | S | 28.1 | Very low | 30.5 | Very low | 124 Ų | 124 | 151.6 Ų | 151.6 | 87% | 0.867 | 84% | 0.835 | S | S | * | * | | | | -178 | 129.3 | 100.1 | -74.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 436 | S | 27.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | | | trans | -123.7 | 141.1 | 166.6 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 437 | P | 33.5 | Very low | 30.6 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -81.5 | 151.4 | -171.5 | 32.5 | -35.2 | 0 | 0 | 0 | 112.7 | | |
| 438 | S | 27.7 | Very low | 30.7 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -79.5 | 128.2 | -178.1 | 42.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 439 | F | 29.3 | Very low | 30.7 | Very low | 214 Ų | 214 | 145.7 Ų | 145.7 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | | | trans | -122.7 | 131.3 | 158.3 | -107.8 | -92.6 | 0 | 0 | 0 | 110.8 | | |
| 440 | R | 30 | Very low | 31 | Very low | 233 Ų | 233 | 147 Ų | 147 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -111.6 | 105.2 | -168.3 | -175.7 | -165.7 | -158.5 | -167.9 | 10.1 | 108.9 | | |
| 441 | S | 33.4 | Very low | 31 | Very low | 117 Ų | 117 | 148 Ų | 148 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -124.4 | 142.1 | 165.4 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 442 | K | 38.5 | Very low | 31.1 | Very low | 193 Ų | 193 | 150 Ų | 150 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -95.4 | 113 | -174.8 | -64.9 | 176.1 | 177.9 | 179.1 | 0 | 109.4 | | |
| 443 | L | 36.2 | Very low | 31 | Very low | 163 Ų | 163 | 148.4 Ų | 148.4 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -138 | 125.5 | 156.8 | -72 | 176.7 | 0 | 0 | 0 | 108.4 | | |
| 444 | S | 31.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -89.5 | 113.2 | 177 | 47.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 445 | L | 33.8 | Very low | 31.3 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -118 | 146 | 169.6 | -75.2 | 162.2 | 0 | 0 | 0 | 108.9 | | |
| 446 | P | 33.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -73.1 | 142 | -168.1 | 27.6 | -34.3 | 0 | 0 | 0 | 114 | S448 | P446-S448 PolarHBondContact O-N 3.19Š|
| 447 | D | 26.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 151 Ų | 151 | 65% | 0.652 | 79% | 0.792 | S | S | * | * | | | trans | -79.6 | 90.6 | -173.3 | -173.7 | 29.6 | 0 | 0 | 0 | 112.2 | R449 | D447-R449 PolarHBondContact O-N 2.98Å; D447-R449 VanDerWaalsContact O-N 3.1Å; D447-R449 WeakPolarHBondContact OD2-CG 3.35Å; D447-R449 IonicContact OD2-CZ 3.78Å; D447-R449 IonicContact OD2-NE 2.93Å; D447-R449 PolarHBondContact OD2-NE 2.91Å; D447-R449 IonicContact OD2-NH2 3.28Å |
| 448 | S | 28.4 | Very low | 31.2 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -82.3 | 76.9 | 173.4 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | P446 I450 | P446-S448 PolarHBondContact O-N 3.19Å; S448-I450 PolarHBondContact O-N 3.36Å |
| 449 | R | 30.6 | Very low | 31.3 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 67% | 0.672 | 80% | 0.796 | S | S | * | * | | | trans | -62.7 | 100.8 | 177.2 | -65.8 | 179.2 | 178.8 | -171.4 | -0.8 | 113 | D447 | D447-R449 PolarHBondContact O-N 2.98Å; D447-R449 VanDerWaalsContact O-N 3.1Å; D447-R449 WeakPolarHBondContact OD2-CG 3.35Å; D447-R449 IonicContact OD2-CZ 3.78Å; D447-R449 IonicContact OD2-NE 2.93Å; D447-R449 PolarHBondContact OD2-NE 2.91Å; D447-R449 IonicContact OD2-NH2 3.28Å |
| 450 | I | 34.7 | Very low | 31.5 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | | | trans | -107.5 | 98.8 | 157.3 | -57.5 | -179.9 | 0 | 0 | 0 | 108 | S448 F452 | S448-I450 PolarHBondContact O-N 3.36Å; I450-F452 HydrophobicContact CG2-CD2 4.37Å; I450-F452 HydrophobicContact CG2-CE2 3.93Å; I450-F452 HydrophobicContact CG2-CZ 4.15Å |
| 451 | R | 29.2 | Very low | 31.3 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -87.9 | 106.6 | 173.6 | -70.4 | -173 | 177.6 | -157.4 | -1.2 | 109.5 | L453 | R451-L453 PolarHBondContact O-N 3.02Š|
| 452 | F | 29.6 | Very low | 31.3 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -71.2 | 115.3 | 160.5 | -65.7 | -83.7 | 0 | 0 | 0 | 108.8 | I450 | I450-F452 HydrophobicContact CG2-CD2 4.37Å; I450-F452 HydrophobicContact CG2-CE2 3.93Å; I450-F452 HydrophobicContact CG2-CZ 4.15Å |
| 453 | L | 31.1 | Very low | 30.8 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -118.6 | 91.7 | 166.5 | -81.3 | 177.1 | 0 | 0 | 0 | 109.7 | R451 T455 | R451-L453 PolarHBondContact O-N 3.02Å; L453-T455 PolarHBondContact O-N 3.25Å; L453-T455 VanDerWaalsContact O-N 3.16Å |
| 454 | T | 33.3 | Very low | 30.4 | Very low | 120 Ų | 120 | 144 Ų | 144 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -61.6 | 108.8 | 167.2 | -40.1 | 0 | 0 | 0 | 0 | 109 | | |
| 455 | T | 30.3 | Very low | 30.1 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -128.7 | 119.8 | 166.8 | -36.1 | 0 | 0 | 0 | 0 | 108.6 | L453 | L453-T455 PolarHBondContact O-N 3.25Å; L453-T455 VanDerWaalsContact O-N 3.16Å |
| 456 | H | 31.3 | Very low | 29.8 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -74.6 | 126.7 | 180 | -64 | -91.8 | 0 | 0 | 0 | 110.7 | | |
| 457 | S | 27 | Very low | 29.7 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | trans | -138.6 | 100.9 | 167.8 | 59.9 | 0 | 0 | 0 | 0 | 111 | | |
| 458 | V | 28.5 | Very low | 29.8 | Very low | 137 Ų | 137 | 142 Ų | 142 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | 36.4 | 111.1 | 148.6 | -171.5 | 0 | 0 | 0 | 0 | 117.7 | P460 | V458-P460 WeakPolarHBondContact O-CD 3.35Š|
| 459 | L | 31.5 | Very low | 30.5 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 126.5 | 162.5 | -86.8 | 149.9 | 0 | 0 | 0 | 112 | | |
| 460 | P | 31.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -87 | 154.8 | 150.3 | 34.3 | -29.1 | 0 | 0 | 0 | 111.1 | V458 | V458-P460 WeakPolarHBondContact O-CD 3.35Š|
| 461 | D | 26.3 | Very low | 30.6 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 164.7 | -170 | -167.1 | 16.3 | 0 | 0 | 0 | 114.9 | A463 | D461-A463 PolarHBondContact O-N 2.83Š|
| 462 | V | 34.4 | Very low | 31.1 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | | | trans | -64.2 | 101.6 | -171.3 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | R464 | V462-R464 PolarHBondContact O-N 3.49Š|
| 463 | A | 27.6 | Very low | 31.6 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -81.6 | 112.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | D461 | D461-A463 PolarHBondContact O-N 2.83Š|
| 464 | R | 27.8 | Very low | 32.2 | Very low | 222 Ų | 222 | 138.2 Ų | 138.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -62.6 | 137.5 | 176.6 | -64.1 | 169.5 | 172.2 | 134.8 | -3.2 | 111.7 | V462 L466 | V462-R464 PolarHBondContact O-N 3.49Å; R464-L466 PolarHBondContact O-N 3.46Å |
| 465 | S | 25.3 | Very low | 32.7 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | 28.5 | 88.9 | 152.3 | 61.6 | 0 | 0 | 0 | 0 | 116.6 | S467 | S465-S467 PolarHBondContact O-N 3.13Š|
| 466 | L | 28 | Very low | 33.5 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | | | trans | -70.7 | 101.5 | 163.5 | -70.1 | 174.7 | 0 | 0 | 0 | 109.1 | R464 | R464-L466 PolarHBondContact O-N 3.46Š|
| 467 | S | 30.6 | Very low | 34.5 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 52% | 0.517 | 77% | 0.769 | S | S | . | * | | | trans | -54.4 | 139.4 | 160.7 | 55.4 | 0 | 0 | 0 | 0 | 109.4 | S465 K469 | S465-S467 PolarHBondContact O-N 3.13Å; S467-K469 VanDerWaalsContact C-N 3.28Å; S467-K469 PolarHBondContact O-N 2.85Å |
| 468 | P | 29.1 | Very low | 35.6 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | -68.7 | 87.9 | 174.2 | 29.3 | -34.1 | 0 | 0 | 0 | 109.8 | | |
| 469 | K | 42.2 | Very low | 37.2 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | | | trans | -87.3 | 141.3 | 162.7 | -72.2 | -173.1 | 174.9 | -172.1 | 0 | 107.7 | S467 | S467-K469 VanDerWaalsContact C-N 3.28Å; S467-K469 PolarHBondContact O-N 2.85Å |
| 470 | L | 35.3 | Very low | 37.9 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 88% | 0.88 | 75% | 0.748 | S | S | * | * | | | trans | 75.8 | 87.3 | 179.2 | -50.7 | 165.6 | 0 | 0 | 0 | 113.9 | | |
| 471 | W | 32.6 | Very low | 39.9 | Very low | 234 Ų | 234 | 135.9 Ų | 135.9 | 89% | 0.886 | 73% | 0.733 | S | S | * | * | | | trans | -67.2 | 132.7 | 153.9 | -72.8 | 85.7 | 0 | 0 | 0 | 108.8 | S473 | W471-S473 PolarHBondContact O-N 3.25Š|
| 472 | P | 39.5 | Very low | 41.7 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | | | trans | -69.9 | 103.4 | 176.4 | -18.3 | 32 | 0 | 0 | 0 | 111.4 | A474 | P472-A474 PolarHBondContact O-N 2.93Å; P472-A474 VanDerWaalsContact O-N 3.14Å |
| 473 | S | 40.4 | Very low | 43.1 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | | | trans | 37.4 | 62.7 | 151.9 | 64.9 | 0 | 0 | 0 | 0 | 117.6 | W471 R475 | W471-S473 PolarHBondContact O-N 3.25Å; S473-R475 PolarHBondContact O-N 2.91Å |
| 474 | A | 43.7 | Very low | 44.5 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 60% | 0.603 | 68% | 0.681 | S | S | * | * | | | trans | -68.4 | 117.5 | 145.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | P472 W476 | P472-A474 PolarHBondContact O-N 2.93Å; P472-A474 VanDerWaalsContact O-N 3.14Å; A474-W476 PolarHBondContact O-N 3Å; A474-W476 VanDerWaalsContact O-N 3.08Å |
| 475 | R | 44.2 | Very low | 46.2 | Very low | 246 Ų | 246 | 123.5 Ų | 123.5 | 93% | 0.928 | 67% | 0.673 | S | S | * | * | | | trans | -72.6 | 101.4 | 169.3 | -70.1 | -167.8 | -175.7 | -159.4 | 3.2 | 107.3 | S473 | S473-R475 PolarHBondContact O-N 2.91Š|
| 476 | W | 46.6 | Very low | 48 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 56% | 0.561 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 151.8 | 167.4 | -62.8 | 103.2 | 0 | 0 | 0 | 109.4 | A474 S478 | A474-W476 PolarHBondContact O-N 3Å; A474-W476 VanDerWaalsContact O-N 3.08Å; W476-S478 PolarHBondContact O-N 3.47Å |
| 477 | P | 52.1 | Low | 49.4 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 60% | 0.597 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 128.7 | 164.2 | -22.1 | 33.9 | 0 | 0 | 0 | 108.7 | G479 W480 | P477-G479 PolarHBondContact O-N 3.07Å; P477-W480 PolarHBondContact O-N 2.83Å |
| 478 | S | 49.6 | Very low | 51 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 124.8 | -171 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | W476 | W476-S478 PolarHBondContact O-N 3.47Š|
| 479 | G | 63 | Low | 52.5 | Low | 65 Ų | 65 | 119.6 Ų | 119.6 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.9 | -10.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P477 E481 | P477-G479 PolarHBondContact O-N 3.07Å; G479-E481 VanDerWaalsContact CA-OE2 3.32Å; G479-E481 WeakPolarHBondContact CA-OE2 3.3Å; G479-E481 PolarHBondContact N-OE2 3.29Å |
| 480 | W | 46.1 | Very low | 53.3 | Low | 145 Ų | 145 | 117.2 Ų | 117.2 | 55% | 0.549 | 63% | 0.63 | S | S | . | * | | | trans | -98.1 | 0.3 | -179.9 | -70.1 | 82.5 | 0 | 0 | 0 | 114.1 | P477 G482 E483 A484 | P477-W480 PolarHBondContact O-N 2.83Å; W480-G482 VanDerWaalsContact C-N 3.35Å; W480-G482 PolarHBondContact O-N 3.49Å; W480-E483 HydrophobicContact CE3-CB 4.44Å; W480-E483 VanDerWaalsContact CZ3-OE2 3.31Å; W480-E483 WeakPolarHBondContact CZ3-OE2 3.49Å; W480-E483 PolarHBondContact O-N 3.45Å; W480-A484 PolarHBondContact O-N 3.17Å; W480-A484 VanDerWaalsContact O-N 3.11Å |
| 481 | E | 73.6 | Confident | 53.6 | Low | 88 Ų | 88 | 117.4 Ų | 117.4 | 41% | 0.411 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.6 | -41.9 | -177.4 | -64.1 | 78 | -172.5 | 0 | 0 | 112.2 | G479 E483 A484 E485 | G479-E481 VanDerWaalsContact CA-OE2 3.32Å; G479-E481 WeakPolarHBondContact CA-OE2 3.3Å; G479-E481 PolarHBondContact N-OE2 3.29Å; E481-E483 PolarHBondContact O-N 3.38Å; E481-A484 PolarHBondContact O-N 3.03Å; E481-E485 PolarHBondContact O-N 3.37Å |
| 482 | G | 64.8 | Low | 54.5 | Low | 44 Ų | 44 | 111 Ų | 111 | 45% | 0.454 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.5 | -32.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W480 L486 | W480-G482 VanDerWaalsContact C-N 3.35Å; W480-G482 PolarHBondContact O-N 3.49Å; G482-L486 PolarHBondContact O-N 3.35Å; G482-L486 VanDerWaalsContact O-N 3.07Å |
| 483 | E | 62.2 | Low | 54.7 | Low | 117 Ų | 117 | 108.5 Ų | 108.5 | 55% | 0.547 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -74.2 | -34.8 | 174.4 | -66.6 | -155.8 | -178.9 | 0 | 0 | 111.9 | W480 E481 E485 L486 L487 | W480-E483 HydrophobicContact CE3-CB 4.44Å; W480-E483 VanDerWaalsContact CZ3-OE2 3.31Å; W480-E483 WeakPolarHBondContact CZ3-OE2 3.49Å; W480-E483 PolarHBondContact O-N 3.45Å; E481-E483 PolarHBondContact O-N 3.38Å; E483-E485 VanDerWaalsContact C-N 3.33Å; E483-L486 PolarHBondContact O-N 3.14Å; E483-L487 WeakPolarHBondContact O-CB 3.17Å; E483-L487 WeakPolarHBondContact O-CG 3.48Å; E483-L487 PolarHBondContact O-N 3.23Å |
| 484 | A | 58.2 | Low | 54.8 | Low | 35 Ų | 35 | 113.7 Ų | 113.7 | 29% | 0.289 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.2 | -37.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W480 E481 G488 | W480-A484 PolarHBondContact O-N 3.17Å; W480-A484 VanDerWaalsContact O-N 3.11Å; E481-A484 PolarHBondContact O-N 3.03Å; A484-G488 PolarHBondContact O-N 3.14Å |
| 485 | E | 63.2 | Low | 54.5 | Low | 142 Ų | 142 | 116.1 Ų | 116.1 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.5 | -46.4 | 172 | -72.3 | -178.5 | 171.5 | 0 | 0 | 111.8 | E481 E483 L487 G488 E489 | E481-E485 PolarHBondContact O-N 3.37Å; E483-E485 VanDerWaalsContact C-N 3.33Å; E485-L487 VanDerWaalsContact C-N 3.31Å; E485-L487 PolarHBondContact O-N 2.93Å; E485-G488 WeakPolarHBondContact O-CA 3.33Å; E485-G488 PolarHBondContact O-N 2.91Å; E485-E489 PolarHBondContact O-N 2.92Å |
| 486 | L | 63.7 | Low | 54 | Low | 128 Ų | 128 | 114.8 Ų | 114.8 | 67% | 0.67 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.4 | -39.4 | 177.3 | -133.7 | 96.3 | 0 | 0 | 0 | 112.5 | G482 E483 E489 L490 | G482-L486 PolarHBondContact O-N 3.35Å; G482-L486 VanDerWaalsContact O-N 3.07Å; E483-L486 PolarHBondContact O-N 3.14Å; L486-E489 PolarHBondContact O-N 3.23Å; L486-L490 WeakPolarHBondContact O-CB 3.42Å; L486-L490 PolarHBondContact O-N 2.97Å |
| 487 | L | 56.9 | Low | 53.2 | Low | 92 Ų | 92 | 114.3 Ų | 114.3 | 48% | 0.482 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.3 | -44.5 | 171.3 | -81.9 | 162.1 | 0 | 0 | 0 | 111 | E483 E485 E489 L490 W491 | E483-L487 WeakPolarHBondContact O-CB 3.17Å; E483-L487 WeakPolarHBondContact O-CG 3.48Å; E483-L487 PolarHBondContact O-N 3.23Å; E485-L487 VanDerWaalsContact C-N 3.31Å; E485-L487 PolarHBondContact O-N 2.93Å; L487-E489 VanDerWaalsContact C-N 3.31Å; L487-E489 PolarHBondContact O-N 3.31Å; L487-L490 PolarHBondContact O-N 3.24Å; L487-W491 PolarHBondContact O-N 3.01Å; L487-W491 VanDerWaalsContact O-N 3.11Å |
| 488 | G | 63.4 | Low | 52.3 | Low | 39 Ų | 39 | 114.2 Ų | 114.2 | 40% | 0.402 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -51.2 | -50.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A484 E485 W491 T492 | A484-G488 PolarHBondContact O-N 3.14Å; E485-G488 WeakPolarHBondContact O-CA 3.33Å; E485-G488 PolarHBondContact O-N 2.91Å; G488-W491 PolarHBondContact O-N 3.08Å; G488-T492 WeakPolarHBondContact O-CG2 3.49Å; G488-T492 PolarHBondContact O-N 3.1Å; G488-T492 VanDerWaalsContact O-N 3.15Å |
| 489 | E | 62.1 | Low | 51.5 | Low | 141 Ų | 141 | 114.8 Ų | 114.8 | 66% | 0.659 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.8 | -47.7 | 178.2 | -66.2 | -167.8 | 157.6 | 0 | 0 | 112.7 | E485 L486 L487 W491 T492 G493 | E485-E489 PolarHBondContact O-N 2.92Å; L486-E489 PolarHBondContact O-N 3.23Å; L487-E489 VanDerWaalsContact C-N 3.31Å; L487-E489 PolarHBondContact O-N 3.31Å; E489-W491 PolarHBondContact O-N 3.16Å; E489-T492 PolarHBondContact O-N 2.97Å; E489-T492 PolarHBondContact O-OG1 3.18Å; E489-G493 PolarHBondContact O-N 3.28Å |
| 490 | L | 58.8 | Low | 49.9 | Very low | 125 Ų | 125 | 120.5 Ų | 120.5 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -55.8 | -37.2 | -179.5 | -177.6 | 66 | 0 | 0 | 0 | 112.4 | L486 L487 | L486-L490 WeakPolarHBondContact O-CB 3.42Å; L486-L490 PolarHBondContact O-N 2.97Å; L487-L490 PolarHBondContact O-N 3.24Å |
| 491 | W | 41 | Very low | 49.2 | Very low | 171 Ų | 171 | 116.9 Ų | 116.9 | 65% | 0.648 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81.5 | -28.3 | 178.5 | -72.7 | 71.1 | 0 | 0 | 0 | 113.1 | L487 G488 E489 G493 R494 | L487-W491 PolarHBondContact O-N 3.01Å; L487-W491 VanDerWaalsContact O-N 3.11Å; G488-W491 PolarHBondContact O-N 3.08Å; E489-W491 PolarHBondContact O-N 3.16Å; W491-G493 VanDerWaalsContact C-N 3.31Å; W491-G493 PolarHBondContact O-N 3.15Å; W491-R494 PolarHBondContact O-N 2.87Å |
| 492 | T | 50.6 | Low | 47.2 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 61% | 0.613 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66 | -30.7 | 174 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | G488 E489 R494 | G488-T492 WeakPolarHBondContact O-CG2 3.49Å; G488-T492 PolarHBondContact O-N 3.1Å; G488-T492 VanDerWaalsContact O-N 3.15Å; E489-T492 PolarHBondContact O-N 2.97Å; E489-T492 PolarHBondContact O-OG1 3.18Å; T492-R494 VanDerWaalsContact C-N 3.29Å; T492-R494 PolarHBondContact O-N 3.12Å |
| 493 | G | 44.1 | Very low | 45.4 | Very low | 65 Ų | 65 | 126.9 Ų | 126.9 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -20.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E489 W491 | E489-G493 PolarHBondContact O-N 3.28Å; W491-G493 VanDerWaalsContact C-N 3.31Å; W491-G493 PolarHBondContact O-N 3.15Å |
| 494 | R | 42.9 | Very low | 43.9 | Very low | 216 Ų | 216 | 129.5 Ų | 129.5 | 82% | 0.815 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -11.4 | -171.7 | -138.5 | 175.6 | -169.9 | -175.6 | 3.2 | 114.5 | W491 T492 | W491-R494 PolarHBondContact O-N 2.87Å; T492-R494 VanDerWaalsContact C-N 3.29Å; T492-R494 PolarHBondContact O-N 3.12Å |
| 495 | T | 36.7 | Very low | 42.7 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -113 | 34.9 | -168.5 | -35.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 496 | R | 33.8 | Very low | 41.4 | Very low | 219 Ų | 219 | 132.2 Ų | 132.2 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | | | trans | -126.7 | 103.7 | 174.2 | -68.2 | -168.3 | -179.8 | -165.7 | 1.7 | 111.8 | | |
| 497 | V | 30.4 | Very low | 39.9 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -74 | 125 | 161.5 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 498 | P | 33 | Very low | 38.7 | Very low | 90 Ų | 90 | 142 Ų | 142 | 58% | 0.584 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 129.6 | 175.3 | 30.1 | -32.2 | 0 | 0 | 0 | 110.1 | Q500 | P498-Q500 PolarHBondContact O-N 3.15Š|
| 499 | P | 32.6 | Very low | 37.3 | Very low | 128 Ų | 128 | 143 Ų | 143 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 126.1 | 170.5 | 28.4 | -32.3 | 0 | 0 | 0 | 109.7 | G501 | P499-G501 PolarHBondContact O-N 3.13Š|
| 500 | Q | 29.6 | Very low | 35.8 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 127 | 170.1 | -84.3 | 91.4 | 27.5 | 0 | 0 | 111.1 | P498 | P498-Q500 PolarHBondContact O-N 3.15Š|
| 501 | G | 31.1 | Very low | 34.6 | Very low | 69 Ų | 69 | 146.8 Ų | 146.8 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | 99 | 90.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117 | P499 | P499-G501 PolarHBondContact O-N 3.13Š|
| 502 | L | 32.3 | Very low | 34.4 | Very low | 167 Ų | 167 | 144 Ų | 144 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | | -174.1 | 127.9 | 117.8 | -99.2 | 160.7 | 0 | 0 | 0 | 111.4 | | |
| 503 | E | 26.8 | Very low | 33.6 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 39.4 | 111.3 | 159.4 | -69.8 | -68.1 | 106.9 | 0 | 0 | 120.1 | A505 | E503-A505 PolarHBondContact O-N 3.19Š|
| 504 | L | 31.1 | Very low | 33.4 | Very low | 172 Ų | 172 | 150 Ų | 150 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | -79.6 | 102.1 | 169.4 | -175.5 | 94.5 | 0 | 0 | 0 | 110.2 | | |
| 505 | A | 32.3 | Very low | 32.7 | Very low | 95 Ų | 95 | 150.7 Ų | 150.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -79.2 | 132 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E503 | E503-A505 PolarHBondContact O-N 3.19Š|
| 506 | D | 35.4 | Very low | 32.6 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | trans | -67.5 | 126.8 | -168.8 | -167.9 | -0.6 | 0 | 0 | 0 | 113.9 | E508 | D506-E508 PolarHBondContact OD1-N 3.04Š|
| 507 | R | 32.7 | Very low | 32.4 | Very low | 247 Ų | 247 | 150.8 Ų | 150.8 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | | | trans | -151.7 | 77.8 | 155.9 | -92.4 | -146.1 | 169.6 | -149.6 | -3.6 | 110.9 | | |
| 508 | E | 31.6 | Very low | 32.7 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | -49.3 | 145.9 | 156.1 | -170.2 | 67.5 | -96.6 | 0 | 0 | 111.9 | D506 | D506-E508 PolarHBondContact OD1-N 3.04Š|
| 509 | G | 34.3 | Very low | 32.7 | Very low | 59 Ų | 59 | 152.3 Ų | 152.3 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | | | trans | 99.9 | 85.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 510 | Q | 31.7 | Very low | 32.9 | Very low | 195 Ų | 195 | 151.2 Ų | 151.2 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | | -155 | 133.6 | 120.8 | -85.7 | -104.4 | -19.3 | 0 | 0 | 107.4 | P512 | Q510-P512 WeakPolarHBondContact O-CD 3.44Š|
| 511 | D | 32.8 | Very low | 33.7 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | -106.4 | 106.8 | -164.3 | -175.9 | 14.3 | 0 | 0 | 0 | 111.4 | G513 | D511-G513 VanDerWaalsContact C-N 3.32Å; D511-G513 PolarHBondContact O-N 3.05Å |
| 512 | P | 36.6 | Very low | 34 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -91.5 | 65.1 | 175.9 | 36.5 | -32.8 | 0 | 0 | 0 | 110.7 | Q510 | Q510-P512 WeakPolarHBondContact O-CD 3.44Š|
| 513 | G | 33.6 | Very low | 34.4 | Very low | 60 Ų | 60 | 150.5 Ų | 150.5 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | | | trans | -64 | 135.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D511 | D511-G513 VanDerWaalsContact C-N 3.32Å; D511-G513 PolarHBondContact O-N 3.05Å |
| 514 | R | 39.5 | Very low | 35.1 | Very low | 230 Ų | 230 | 150.3 Ų | 150.3 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | | | trans | 83 | 79.8 | 169.2 | -161.7 | -170.6 | -61.1 | -95.1 | -1.2 | 117.4 | | |
| 515 | W | 28 | Very low | 35.5 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | | | trans | -119.4 | 122.7 | 142.7 | -72.7 | 96.5 | 0 | 0 | 0 | 109.5 | R517 | W515-R517 PolarHBondContact O-N 3.03Š|
| 516 | P | 35.7 | Very low | 36 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | | | trans | -68.8 | 128.5 | 170.8 | 28.7 | -31.6 | 0 | 0 | 0 | 109.3 | T518 | P516-T518 VanDerWaalsContact C-N 3.34Å; P516-T518 PolarHBondContact O-N 2.95Å |
| 517 | R | 30.4 | Very low | 36.3 | Very low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | | | trans | -74.1 | 85.7 | 174.1 | -75.6 | -178.2 | 164.5 | -142.5 | -3.4 | 110.3 | W515 T519 | W515-R517 PolarHBondContact O-N 3.03Å; R517-T519 PolarHBondContact O-N 3.23Å |
| 518 | T | 35.8 | Very low | 36.9 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -70.3 | 103.6 | 159.1 | 16.7 | 0 | 0 | 0 | 0 | 108.5 | P516 P520 | P516-T518 VanDerWaalsContact C-N 3.34Å; P516-T518 PolarHBondContact O-N 2.95Å; T518-P520 WeakPolarHBondContact O-CD 3.37Å |
| 519 | T | 32.4 | Very low | 37.1 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 120.1 | 166.4 | -45.2 | 0 | 0 | 0 | 0 | 107.9 | R517 | R517-T519 PolarHBondContact O-N 3.23Š|
| 520 | P | 36.4 | Very low | 37.2 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 134.9 | 175.3 | 26.3 | -32.6 | 0 | 0 | 0 | 109 | T518 | T518-P520 WeakPolarHBondContact O-CD 3.37Š|
| 521 | P | 46.5 | Very low | 37.4 | Very low | 107 Ų | 107 | 146 Ų | 146 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140.1 | 174.9 | 26.8 | -33.3 | 0 | 0 | 0 | 109.7 | L523 | P521-L523 PolarHBondContact O-N 3.42Å; P521-L523 VanDerWaalsContact O-N 3.17Å |
| 522 | V | 39 | Very low | 38 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | | | trans | -68.2 | 112.6 | 173.2 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | E524 | V522-E524 PolarHBondContact O-N 3.19Š|
| 523 | L | 38.9 | Very low | 38.3 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -78.4 | 113.7 | 173.2 | -63.6 | 176.3 | 0 | 0 | 0 | 108.9 | P521 | P521-L523 PolarHBondContact O-N 3.42Å; P521-L523 VanDerWaalsContact O-N 3.17Å |
| 524 | E | 43 | Very low | 38.8 | Very low | 172 Ų | 172 | 152.9 Ų | 152.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -71.9 | 140.8 | 168.5 | -70 | -170.7 | 136.2 | 0 | 0 | 110.4 | V522 T526 | V522-E524 PolarHBondContact O-N 3.19Å; E524-T526 PolarHBondContact O-N 3.4Å; E524-T526 VanDerWaalsContact O-N 3.13Å |
| 525 | A | 39.1 | Very low | 39.4 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | -73.2 | 104.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S527 | A525-S527 VanDerWaalsContact C-N 3.33Å; A525-S527 PolarHBondContact O-N 3.19Å |
| 526 | T | 42.1 | Very low | 40.7 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | -80.3 | -6.4 | -177.1 | 49.7 | 0 | 0 | 0 | 0 | 114.7 | E524 | E524-T526 PolarHBondContact O-N 3.4Å; E524-T526 VanDerWaalsContact O-N 3.13Å |
| 527 | S | 43.1 | Very low | 41.6 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | trans | -126.2 | 121.8 | 177.1 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | A525 | A525-S527 VanDerWaalsContact C-N 3.33Å; A525-S527 PolarHBondContact O-N 3.19Å |
| 528 | Q | 43.7 | Very low | 42.7 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | -105.3 | 109.6 | 170.1 | -64.9 | -179.2 | 15.9 | 0 | 0 | 108.4 | M530 | Q528-M530 PolarHBondContact O-N 3.06Š|
| 529 | V | 35.7 | Very low | 43.6 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | | | trans | -77.9 | 103.1 | 176.9 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | W531 | V529-W531 HydrophobicContact CG1-CZ2 4.48Å; V529-W531 PolarHBondContact O-N 3.25Å |
| 530 | M | 36.4 | Very low | 44.9 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | | | trans | -87.8 | 103.1 | 179.6 | -78.2 | -85.8 | -74.9 | 0 | 0 | 111 | Q528 K532 | Q528-M530 PolarHBondContact O-N 3.06Å; M530-K532 PolarHBondContact O-N 3.24Å |
| 531 | W | 37.1 | Very low | 46.4 | Very low | 228 Ų | 228 | 138.2 Ų | 138.2 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | | | trans | -81.4 | 115 | 168.7 | -65.4 | 93.3 | 0 | 0 | 0 | 110 | V529 P533 | V529-W531 HydrophobicContact CG1-CZ2 4.48Å; V529-W531 PolarHBondContact O-N 3.25Å; W531-P533 WeakPolarHBondContact O-CD 3.4Å |
| 532 | K | 44.6 | Very low | 47.3 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | | | trans | -92.9 | 107.8 | 171.9 | -170.4 | 179.6 | -178.6 | -175.3 | 0 | 108.6 | M530 L534 | M530-K532 PolarHBondContact O-N 3.24Å; K532-L534 PolarHBondContact O-N 3.06Å |
| 533 | P | 42.4 | Very low | 48.3 | Very low | 106 Ų | 106 | 131 Ų | 131 | 69% | 0.688 | 70% | 0.699 | S | S | * | * | | | trans | -63.9 | 137 | 175 | 26.8 | -33.2 | 0 | 0 | 0 | 109.7 | W531 L535 | W531-P533 WeakPolarHBondContact O-CD 3.4Å; P533-L535 PolarHBondContact O-N 3.17Å |
| 534 | L | 45.8 | Very low | 49 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 92% | 0.916 | 70% | 0.697 | S | S | * | * | | | trans | -84.4 | 11 | -176.3 | -69 | 171.2 | 0 | 0 | 0 | 113.8 | K532 | K532-L534 PolarHBondContact O-N 3.06Š|
| 535 | L | 51.9 | Low | 49.6 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 69% | 0.686 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -105.5 | 133.6 | -176.8 | -61.6 | 178.1 | 0 | 0 | 0 | 111.1 | P533 | P533-L535 PolarHBondContact O-N 3.17Š|
| 536 | L | 53.8 | Low | 50.2 | Low | 131 Ų | 131 | 123.9 Ų | 123.9 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | | | trans | -66.9 | 126.8 | 176.8 | -79.2 | 162.4 | 0 | 0 | 0 | 110.3 | E538 A539 | L536-E538 PolarHBondContact O-N 3.26Å; L536-E538 VanDerWaalsContact O-N 3.1Å; L536-A539 PolarHBondContact O-N 3.38Å; L536-A539 VanDerWaalsContact O-N 3.15Å |
| 537 | P | 55.6 | Low | 51.4 | Low | 51 Ų | 51 | 120 Ų | 120 | 33% | 0.331 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -56.7 | -27.6 | -177.2 | -29.7 | 36.9 | 0 | 0 | 0 | 115.4 | A539 L540 | P537-A539 VanDerWaalsContact C-N 3.25Å; P537-A539 PolarHBondContact O-N 2.96Å; P537-L540 PolarHBondContact O-N 3Å |
| 538 | E | 52.9 | Low | 52.8 | Low | 176 Ų | 176 | 119.5 Ų | 119.5 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -70.9 | -15.5 | -178.7 | -71.7 | 172.5 | 125.7 | 0 | 0 | 114.1 | L536 | L536-E538 PolarHBondContact O-N 3.26Å; L536-E538 VanDerWaalsContact O-N 3.1Å |
| 539 | A | 56.2 | Low | 53.6 | Low | 89 Ų | 89 | 118.3 Ų | 118.3 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -89 | -3.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L536 P537 | L536-A539 PolarHBondContact O-N 3.38Å; L536-A539 VanDerWaalsContact O-N 3.15Å; P537-A539 VanDerWaalsContact C-N 3.25Å; P537-A539 PolarHBondContact O-N 2.96Å |
| 540 | L | 59.4 | Low | 55 | Low | 73 Ų | 73 | 113.8 Ų | 113.8 | 38% | 0.382 | 61% | 0.611 | S | S | . | * | | | trans | -99.2 | 107.3 | -172.5 | -79.9 | 150.3 | 0 | 0 | 0 | 112 | P537 L542 | P537-L540 PolarHBondContact O-N 3Å; L540-L542 PolarHBondContact O-N 3.41Å |
| 541 | K | 66.3 | Low | 55.4 | Low | 210 Ų | 210 | 116.2 Ų | 116.2 | 91% | 0.913 | 61% | 0.612 | S | S | * | * | | | trans | -81.5 | 110.2 | 172.3 | -167.2 | 177.9 | -176.4 | -177.5 | 0 | 110.3 | | |
| 542 | L | 66.6 | Low | 56 | Low | 35 Ų | 35 | 110 Ų | 110 | 18% | 0.183 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -78.1 | 141.9 | 179.7 | -56.5 | 179.7 | 0 | 0 | 0 | 112.2 | L540 V546 M548 F557 S559 | L540-L542 PolarHBondContact O-N 3.41Å; L542-V546 HydrophobicContact CB-CB 4.49Å; L542-M548 HydrophobicContact CD1-CB 3.78Å; L542-M548 HydrophobicContact CD2-CB 4.34Å; L542-M548 HydrophobicContact CD2-CE 3.86Å; L542-F557 HydrophobicContact CD1-CB 4.31Å; L542-F557 WeakPolarHBondContact CD1-O 3.42Å; L542-S559 PolarHBondContact O-OG 2.85Å |
| 543 | A | 60.1 | Low | 56.8 | Low | 58 Ų | 58 | 104.1 Ų | 104.1 | 48% | 0.479 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -63 | 151.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G545 V546 S559 | A543-G545 PolarHBondContact O-N 2.98Å; A543-V546 HydrophobicContact CB-CG2 4.09Å; A543-V546 WeakPolarHBondContact O-CB 3.38Å; A543-V546 PolarHBondContact O-N 2.92Å; A543-V546 VanDerWaalsContact O-N 3.07Å; A543-S559 VanDerWaalsContact O-CB 3.25Å; A543-S559 WeakPolarHBondContact O-CB 3.41Å |
| 544 | P | 53 | Low | 57.7 | Low | 122 Ų | 122 | 106.2 Ų | 106.2 | 79% | 0.792 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | 134 | 176.7 | -27.5 | 35.9 | 0 | 0 | 0 | 112.6 | V546 | P544-V546 VanDerWaalsContact C-N 3.26Å; P544-V546 PolarHBondContact O-N 3.16Å |
| 545 | G | 56.5 | Low | 58 | Low | 81 Ų | 81 | 103.9 Ų | 103.9 | 84% | 0.835 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.8 | -6.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A543 | A543-G545 PolarHBondContact O-N 2.98Š|
| 546 | V | 51.3 | Low | 58.2 | Low | 73 Ų | 73 | 102.1 Ų | 102.1 | 44% | 0.442 | 56% | 0.56 | S | S | . | * | | | trans | -88.1 | 136 | 172.9 | -175.6 | 0 | 0 | 0 | 0 | 110 | L542 A543 P544 S559 | L542-V546 HydrophobicContact CB-CB 4.49Å; A543-V546 HydrophobicContact CB-CG2 4.09Å; A543-V546 WeakPolarHBondContact O-CB 3.38Å; A543-V546 PolarHBondContact O-N 2.92Å; A543-V546 VanDerWaalsContact O-N 3.07Å; P544-V546 VanDerWaalsContact C-N 3.26Å; P544-V546 PolarHBondContact O-N 3.16Å; V546-S559 PolarHBondContact O-N 3.44Å |
| 547 | S | 66.3 | Low | 58.2 | Low | 64 Ų | 64 | 100.2 Ų | 100.2 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144 | 170.4 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | F557 S558 | S547-F557 CarbonylContact C-O 3.59Å; S547-F557 WeakPolarHBondContact CA-O 3.44Å; S547-F557 WeakPolarHBondContact CB-O 3.46Å; S547-S558 WeakPolarHBondContact CB-OG 3.24Å |
| 548 | M | 72.4 | Confident | 58 | Low | 82 Ų | 82 | 101.5 Ų | 101.5 | 40% | 0.404 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.2 | -178.5 | -174 | -178.7 | -74 | 0 | 0 | 109.9 | L542 N550 F557 | L542-M548 HydrophobicContact CD1-CB 3.78Å; L542-M548 HydrophobicContact CD2-CB 4.34Å; L542-M548 HydrophobicContact CD2-CE 3.86Å; M548-N550 PolarHBondContact O-N 3.41Å; M548-F557 PolarHBondContact N-O 3.2Å; M548-F557 PolarHBondContact O-N 3.17Å |
| 549 | W | 62.3 | Low | 57.8 | Low | 149 Ų | 149 | 94.7 Ų | 94.7 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 112.2 | 174.2 | -178.5 | -91.6 | 0 | 0 | 0 | 110.6 | Q554 L556 | W549-Q554 WeakPolarHBondContact CH2-O 3.39Å; W549-Q554 HydrophobicContact CZ2-CB 4.16Å; W549-L556 HydrophobicContact CB-CD1 4.33Å; W549-L556 HydrophobicContact CE3-CB 3.99Å; W549-L556 HydrophobicContact CE3-CD1 4.21Å; W549-L556 HydrophobicContact CZ3-CB 4.24Å |
| 550 | N | 63.7 | Low | 57.1 | Low | 18 Ų | 18 | 94.7 Ų | 94.7 | 10% | 0.096 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.9 | 175 | -174.5 | -4.4 | 0 | 0 | 0 | 110.7 | M548 S552 T553 Q554 M555 F557 | M548-N550 PolarHBondContact O-N 3.41Å; N550-S552 PolarHBondContact ND2-OG 3.47Å; N550-S552 PolarHBondContact O-N 3.27Å; N550-S552 PolarHBondContact OD1-N 2.78Å; N550-S552 PolarHBondContact OD1-OG 3.31Å; N550-T553 PolarHBondContact ND2-OG1 3.06Å; N550-Q554 VanDerWaalsContact O-CA 3.3Å; N550-Q554 WeakPolarHBondContact O-CA 3.5Å; N550-Q554 PolarHBondContact O-N 2.77Å; N550-M555 PolarHBondContact N-O 3.37Å; N550-F557 HydrophobicContact CB-CD2 3.85Å; N550-F557 HydrophobicContact CB-CE2 3.59Å |
| 551 | R | 44.3 | Very low | 55.8 | Low | 202 Ų | 202 | 96.9 Ų | 96.9 | 76% | 0.762 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -21.5 | 177.3 | -71.9 | -167.7 | 179.9 | -164.6 | 3 | 114.3 | | |
| 552 | S | 50.2 | Low | 54.1 | Low | 97 Ų | 97 | 92.6 Ų | 92.6 | 68% | 0.678 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -32.1 | 178.6 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | N550 | N550-S552 PolarHBondContact ND2-OG 3.47Å; N550-S552 PolarHBondContact O-N 3.27Å; N550-S552 PolarHBondContact OD1-N 2.78Å; N550-S552 PolarHBondContact OD1-OG 3.31Å |
| 553 | T | 61.2 | Low | 52.4 | Low | 63 Ų | 63 | 99.8 Ų | 99.8 | 39% | 0.387 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.3 | -11.2 | 178.5 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | N550 M555 | N550-T553 PolarHBondContact ND2-OG1 3.06Å; T553-M555 PolarHBondContact O-N 3.2Å |
| 554 | Q | 61.7 | Low | 51 | Low | 151 Ų | 151 | 104.7 Ų | 104.7 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.7 | 29.5 | -170.3 | -54.9 | -172.1 | 23.8 | 0 | 0 | 113.6 | W549 N550 | W549-Q554 WeakPolarHBondContact CH2-O 3.39Å; W549-Q554 HydrophobicContact CZ2-CB 4.16Å; N550-Q554 VanDerWaalsContact O-CA 3.3Å; N550-Q554 WeakPolarHBondContact O-CA 3.5Å; N550-Q554 PolarHBondContact O-N 2.77Å |
| 555 | M | 52.9 | Low | 50 | Low | 126 Ų | 126 | 106.4 Ų | 106.4 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 145 | 177.6 | -64.3 | -169.6 | -171.5 | 0 | 0 | 111.5 | N550 T553 | N550-M555 PolarHBondContact N-O 3.37Å; T553-M555 PolarHBondContact O-N 3.2Å |
| 556 | L | 55.7 | Low | 48.8 | Very low | 93 Ų | 93 | 109 Ų | 109 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 110.8 | 169.9 | -173.1 | 71.2 | 0 | 0 | 0 | 108.7 | W549 S558 | W549-L556 HydrophobicContact CB-CD1 4.33Å; W549-L556 HydrophobicContact CE3-CB 3.99Å; W549-L556 HydrophobicContact CE3-CD1 4.21Å; W549-L556 HydrophobicContact CZ3-CB 4.24Å; L556-S558 PolarHBondContact O-N 3.47Å |
| 557 | F | 52.8 | Low | 48.2 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 40% | 0.404 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.3 | 115.4 | 169.8 | -70.6 | -88 | 0 | 0 | 0 | 108.4 | L542 S547 M548 N550 | L542-F557 HydrophobicContact CD1-CB 4.31Å; L542-F557 WeakPolarHBondContact CD1-O 3.42Å; S547-F557 CarbonylContact C-O 3.59Å; S547-F557 WeakPolarHBondContact CA-O 3.44Å; S547-F557 WeakPolarHBondContact CB-O 3.46Å; M548-F557 PolarHBondContact N-O 3.2Å; M548-F557 PolarHBondContact O-N 3.17Å; N550-F557 HydrophobicContact CB-CD2 3.85Å; N550-F557 HydrophobicContact CB-CE2 3.59Å |
| 558 | S | 51.8 | Low | 46.5 | Very low | 77 Ų | 77 | 120 Ų | 120 | 54% | 0.538 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.1 | 172.6 | -64.6 | 0 | 0 | 0 | 0 | 109.4 | S547 L556 A560 | S547-S558 WeakPolarHBondContact CB-OG 3.24Å; L556-S558 PolarHBondContact O-N 3.47Å; S558-A560 PolarHBondContact O-N 2.79Å |
| 559 | S | 48.8 | Very low | 44.4 | Very low | 33 Ų | 33 | 120 Ų | 120 | 23% | 0.231 | 63% | 0.634 | C | S | . | * | P | Polyproline II helix | trans | -59.4 | 120.4 | 171.3 | -169.1 | 0 | 0 | 0 | 0 | 109.8 | L542 A543 V546 V561 | L542-S559 PolarHBondContact O-OG 2.85Å; A543-S559 VanDerWaalsContact O-CB 3.25Å; A543-S559 WeakPolarHBondContact O-CB 3.41Å; V546-S559 PolarHBondContact O-N 3.44Å; S559-V561 PolarHBondContact O-N 2.8Å |
| 560 | A | 42.7 | Very low | 42.8 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 74% | 0.744 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -64 | 121.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S558 | S558-A560 PolarHBondContact O-N 2.79Š|
| 561 | V | 30.8 | Very low | 41.5 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 72% | 0.721 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 131.5 | 163.5 | 177.3 | 0 | 0 | 0 | 0 | 107 | S559 E563 | S559-V561 PolarHBondContact O-N 2.8Å; V561-E563 PolarHBondContact O-N 2.68Å |
| 562 | P | 31.5 | Very low | 41 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 78% | 0.779 | 68% | 0.679 | S | S | * | * | | | trans | -67.5 | 101.3 | 166.5 | 28 | -31.3 | 0 | 0 | 0 | 107.9 | Q564 | P562-Q564 PolarHBondContact O-N 3.49Å; P562-Q564 VanDerWaalsContact O-N 3.09Å |
| 563 | E | 30.3 | Very low | 40.6 | Very low | 185 Ų | 185 | 123.2 Ų | 123.2 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | | | trans | -60.5 | 113.6 | 165.6 | -76.7 | -168.6 | 143.1 | 0 | 0 | 108.1 | V561 E565 | V561-E563 PolarHBondContact O-N 2.68Å; E563-E565 PolarHBondContact O-N 3.01Å |
| 564 | Q | 30.6 | Very low | 39.4 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | | | trans | -69.1 | 114.4 | 170.9 | -179.7 | 171 | -12.2 | 0 | 0 | 107.8 | P562 D566 | P562-Q564 PolarHBondContact O-N 3.49Å; P562-Q564 VanDerWaalsContact O-N 3.09Å; Q564-D566 VanDerWaalsContact C-N 3.29Å; Q564-D566 PolarHBondContact O-N 2.94Å |
| 565 | E | 32.9 | Very low | 37.9 | Very low | 159 Ų | 159 | 125 Ų | 125 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | | | trans | -64 | 84.6 | 173.6 | -80.3 | -165.4 | 108.7 | 0 | 0 | 110.9 | E563 K567 | E563-E565 PolarHBondContact O-N 3.01Å; E565-K567 WeakPolarHBondContact OE1-CE 3.38Å; E565-K567 IonicContact OE1-NZ 3.02Å |
| 566 | D | 30 | Very low | 37.2 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | | | trans | -96 | 100.6 | 159.3 | -81.3 | -33.2 | 0 | 0 | 0 | 109.2 | Q564 E568 | Q564-D566 VanDerWaalsContact C-N 3.29Å; Q564-D566 PolarHBondContact O-N 2.94Å; D566-E568 PolarHBondContact O-N 2.96Å |
| 567 | K | 38.6 | Very low | 36.2 | Very low | 166 Ų | 166 | 131 Ų | 131 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | trans | -78.6 | 110.4 | 175.3 | -66.1 | 178.9 | -178.7 | 173.9 | 0 | 110.1 | E565 | E565-K567 WeakPolarHBondContact OE1-CE 3.38Å; E565-K567 IonicContact OE1-NZ 3.02Å |
| 568 | E | 32.3 | Very low | 35.2 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 94% | 0.939 | 74% | 0.742 | S | S | * | * | | | trans | -166.3 | 144.2 | 132.3 | -108.1 | 162.6 | -179.3 | 0 | 0 | 111.5 | D566 | D566-E568 PolarHBondContact O-N 2.96Š|
| 569 | G | 28.6 | Very low | 34.3 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | | | trans | -94.7 | 152.9 | -155.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 570 | S | 27.5 | Very low | 33.5 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | -152.4 | 126.6 | 152.1 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 571 | T | 36 | Very low | 33.3 | Very low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -73 | 119.3 | -173.3 | -57.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 572 | F | 35.3 | Very low | 33.5 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | | | trans | -151.6 | 145.6 | 149.3 | -72.2 | -65.9 | 0 | 0 | 0 | 111 | | |
| 573 | P | 40.7 | Very low | 33.5 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 155.3 | -178.5 | 33.7 | -35.4 | 0 | 0 | 0 | 112.7 | | |
| 574 | P | 35.4 | Very low | 34.1 | Very low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.7 | 176.2 | 30 | -33.8 | 0 | 0 | 0 | 111.1 | E576 | P574-E576 PolarHBondContact O-N 3.19Š|
| 575 | V | 31.6 | Very low | 34.9 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 119.1 | 170.3 | 171.1 | 0 | 0 | 0 | 0 | 108.8 | Q577 | V575-Q577 PolarHBondContact O-N 2.84Š|
| 576 | E | 38 | Very low | 35 | Very low | 165 Ų | 165 | 140 Ų | 140 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 119.3 | 167.5 | -66.5 | -175.6 | 136.1 | 0 | 0 | 109.9 | P574 | P574-E576 PolarHBondContact O-N 3.19Š|
| 577 | Q | 33.8 | Very low | 35.9 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | -103.5 | 109.7 | 164.8 | -67.9 | -167.5 | 10.9 | 0 | 0 | 108.8 | V575 | V575-Q577 PolarHBondContact O-N 2.84Š|
| 578 | H | 31.7 | Very low | 36.1 | Very low | 148 Ų | 148 | 147 Ų | 147 | 69% | 0.685 | 82% | 0.819 | S | S | * | * | | | trans | -64.6 | 149.9 | -179.9 | -61.4 | -59.8 | 0 | 0 | 0 | 112.4 | I580 | H578-I580 PolarHBondContact O-N 3.23Š|
| 579 | P | 32.4 | Very low | 36.3 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | | | trans | -62 | 130.5 | 171.7 | -19.6 | 31.8 | 0 | 0 | 0 | 111.6 | Q581 | P579-Q581 PolarHBondContact O-N 2.98Å; P579-Q581 VanDerWaalsContact O-N 3.13Å |
| 580 | I | 33.9 | Very low | 36.7 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -69.1 | 109.8 | 173.1 | -63 | 174.4 | 0 | 0 | 0 | 108.7 | H578 | H578-I580 PolarHBondContact O-N 3.23Š|
| 581 | Q | 36.8 | Very low | 37.2 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | | | trans | -77.3 | 120.7 | 169 | -63.9 | -175.1 | 23.6 | 0 | 0 | 110 | P579 | P579-Q581 PolarHBondContact O-N 2.98Å; P579-Q581 VanDerWaalsContact O-N 3.13Å |
| 582 | T | 35.6 | Very low | 37.3 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -113.3 | 65.2 | 173.1 | -36.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 583 | G | 32.6 | Very low | 37.4 | Very low | 70 Ų | 70 | 148.8 Ų | 148.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 584 | A | 41.1 | Very low | 37.2 | Very low | 95 Ų | 95 | 151.5 Ų | 151.5 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 133.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 585 | P | 48 | Very low | 37.3 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 131.4 | 174.1 | 29.7 | -32.7 | 0 | 0 | 0 | 111.1 | | |
| 586 | K | 34.7 | Very low | 37.7 | Very low | 195 Ų | 195 | 155.3 Ų | 155.3 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 149.3 | 170.7 | -76.9 | 179.7 | 175.9 | 177.5 | 0 | 111 | | |
| 587 | P | 50.3 | Low | 37.7 | Very low | 128 Ų | 128 | 154.5 Ų | 154.5 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 154.3 | 175.7 | 30.1 | -35.4 | 0 | 0 | 0 | 112 | | |
| 588 | R | 41.7 | Very low | 38.1 | Very low | 321 Ų | 321 | 152.2 Ų | 152.2 | 100% | 1.211 | 83% | 0.831 | S | S | * | * | | | trans | -114.7 | 0 | 162.8 | -97.9 | -170.3 | 173.1 | -168.4 | -1.3 | 108.8 | | |