| 1 | M | 34.3 | Very low | 31 | Very low | 245 Ų | 245 | 154.6 Ų | 154.6 | 100% | 1.207 | 83% | 0.827 | S | S | * | * | | | | 0 | 145.2 | 0 | -75 | 171.7 | 166.7 | 0 | 0 | 109.8 | | |
| 2 | K | 34.7 | Very low | 30.9 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | | | trans | -88.5 | 156 | 143.9 | -64.6 | 178.2 | -179.8 | 175.9 | 0 | 105.9 | | |
| 3 | P | 32.1 | Very low | 30.9 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | | | cis | -114 | 171.9 | 42.3 | 6.4 | 19.7 | 0 | 0 | 0 | 112.4 | | |
| 4 | V | 32.5 | Very low | 30.9 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | | | | 64.5 | 101 | 51.1 | -171 | 0 | 0 | 0 | 0 | 114.8 | | |
| 5 | T | 27.3 | Very low | 31.3 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | | | trans | -166.2 | 134.9 | 131.6 | 23.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 6 | Y | 33.1 | Very low | 31.3 | Very low | 238 Ų | 238 | 143.6 Ų | 143.6 | 93% | 0.933 | 82% | 0.816 | S | S | * | * | | | trans | -133.5 | 90.9 | 174 | -154.6 | -80.8 | 0 | 0 | 0 | 108.2 | | |
| 7 | Q | 28.3 | Very low | 31.8 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | trans | -169 | 148 | -177.1 | -108.3 | 163.6 | 22.2 | 0 | 0 | 106.7 | | |
| 8 | S | 26.5 | Very low | 32.6 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | cis | -137.9 | 164.9 | 13.1 | -73.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 9 | I | 37.3 | Very low | 33.4 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | -81.5 | 148.5 | 171.8 | -60.3 | 155.9 | 0 | 0 | 0 | 109 | | |
| 10 | P | 29.8 | Very low | 34.1 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | | -129 | 156.2 | 117.2 | 36.7 | -31.6 | 0 | 0 | 0 | 111.5 | | |
| 11 | S | 25.4 | Very low | 34.4 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | cis | 159.8 | 115.2 | -24.6 | -98.6 | 0 | 0 | 0 | 0 | 104.7 | | |
| 12 | S | 30.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | 71.2 | 159.2 | 172.1 | -123.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 13 | V | 30.6 | Very low | 34.9 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | | | cis | -135.9 | 143.2 | 23.5 | 174 | 0 | 0 | 0 | 0 | 112.4 | | |
| 14 | N | 31 | Very low | 35.4 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | 50.6 | 114.6 | 162.9 | -61.9 | -10.9 | 0 | 0 | 0 | 119.8 | | |
| 15 | G | 36.8 | Very low | 36.1 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | | | trans | -102.3 | 146.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 16 | V | 30.5 | Very low | 37.1 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -140.9 | 123.9 | 169.7 | 172.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 17 | H | 41.3 | Very low | 37.9 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | -90.8 | 131.9 | 153.1 | -115.5 | -64.9 | 0 | 0 | 0 | 106.4 | | |
| 18 | P | 45.5 | Very low | 39 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 53% | 0.532 | 76% | 0.757 | S | S | . | * | | | | -137.8 | 158.8 | 83.7 | 40.4 | -28.2 | 0 | 0 | 0 | 112.2 | M20 | P18-M20 VanDerWaalsContact C-N 3.34Å; P18-M20 HydrophobicContact CB-CB 4.21Å; P18-M20 HydrophobicContact CB-CG 3.84Å; P18-M20 HydrophobicContact CG-CB 3.99Å; P18-M20 HydrophobicContact CG-CG 3.85Å |
| 19 | N | 47.3 | Very low | 40.3 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | cis | 57.5 | 30.1 | 41.4 | -150 | 35.3 | 0 | 0 | 0 | 115.5 | | |
| 20 | M | 47.9 | Very low | 42.1 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 64% | 0.64 | 74% | 0.743 | S | S | * | * | | | trans | -137.4 | 24.8 | 175.2 | -81 | -70.4 | 163.7 | 0 | 0 | 113.2 | P18 | P18-M20 VanDerWaalsContact C-N 3.34Å; P18-M20 HydrophobicContact CB-CB 4.21Å; P18-M20 HydrophobicContact CB-CG 3.84Å; P18-M20 HydrophobicContact CG-CB 3.99Å; P18-M20 HydrophobicContact CG-CG 3.85Å |
| 21 | A | 39.5 | Very low | 44.3 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -120.1 | -12.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 22 | L | 41.7 | Very low | 47.1 | Very low | 144 Ų | 144 | 124.8 Ų | 124.8 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -110.3 | -6.9 | -175.6 | -156.5 | 63.9 | 0 | 0 | 0 | 114.8 | | |
| 23 | E | 37.6 | Very low | 49.4 | Very low | 181 Ų | 181 | 126.3 Ų | 126.3 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -94.5 | -5.8 | 178.1 | -68.4 | -166.8 | 132.9 | 0 | 0 | 114.5 | | |
| 24 | R | 43.6 | Very low | 51.8 | Low | 209 Ų | 209 | 121 Ų | 121 | 79% | 0.789 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -105.7 | 6.9 | -174.3 | -79.4 | -171.1 | 167.3 | 113.7 | -0.2 | 116.6 | | |
| 25 | L | 47.6 | Very low | 53.5 | Low | 165 Ų | 165 | 120.7 Ų | 120.7 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -133.4 | 2.5 | 174.5 | -79.6 | 173.9 | 0 | 0 | 0 | 115.2 | | |
| 26 | L | 47.5 | Very low | 54.5 | Low | 117 Ų | 117 | 123.5 Ų | 123.5 | 61% | 0.613 | 65% | 0.649 | S | S | * | * | | | trans | -115.3 | 32.7 | -179.7 | -67.1 | 177.1 | 0 | 0 | 0 | 113.5 | T28 | L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 3.21Å |
| 27 | G | 50.1 | Low | 56.5 | Low | 72 Ų | 72 | 120.5 Ų | 120.5 | 74% | 0.742 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -70.5 | 82.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 28 | T | 52.1 | Low | 58 | Low | 143 Ų | 143 | 114.9 Ų | 114.9 | 88% | 0.877 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 164.8 | -32.2 | 151.1 | 31.4 | 0 | 0 | 0 | 0 | 111.9 | L26 K30 | L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 3.21Å; T28-K30 PolarHBondContact O-N 3.49Å |
| 29 | S | 53.8 | Low | 59.8 | Low | 66 Ų | 66 | 114.8 Ų | 114.8 | 46% | 0.462 | 62% | 0.615 | S | S | . | * | | | trans | -87.2 | 96.4 | -172.1 | -73.6 | 0 | 0 | 0 | 0 | 113.2 | V31 | S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.49Å |
| 30 | K | 75.4 | Confident | 61.2 | Low | 170 Ų | 170 | 112.1 Ų | 112.1 | 74% | 0.739 | 60% | 0.604 | S | S | * | * | | | trans | -73.8 | 82.6 | 172.2 | -173.2 | 179.4 | 178.5 | 173.6 | 0 | 111.2 | T28 M32 | T28-K30 PolarHBondContact O-N 3.49Å; K30-M32 HydrophobicContact CD-SD 4.39Å; K30-M32 HydrophobicContact CG-SD 4.27Å; K30-M32 PolarHBondContact O-N 3.17Å |
| 31 | V | 76 | Confident | 63.1 | Low | 75 Ų | 75 | 106.5 Ų | 106.5 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | | | trans | -60.7 | 120.2 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | S29 T40 T42 | S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.49Å; V31-T40 HydrophobicContact CG1-CG2 4.23Å; V31-T42 HydrophobicContact CG2-CG2 3.94Å |
| 32 | M | 82.6 | Confident | 65.4 | Low | 58 Ų | 58 | 106.4 Ų | 106.4 | 29% | 0.286 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.8 | 173.5 | -59.9 | -62.1 | -60.5 | 0 | 0 | 109.2 | K30 T40 S41 F47 | K30-M32 HydrophobicContact CD-SD 4.39Å; K30-M32 HydrophobicContact CG-SD 4.27Å; K30-M32 PolarHBondContact O-N 3.17Å; M32-T40 WeakPolarHBondContact O-CA 3.36Å; M32-S41 PolarHBondContact N-O 3.33Å; M32-S41 PolarHBondContact O-N 3.39Å; M32-F47 HydrophobicContact CB-CB 3.97Å; M32-F47 HydrophobicContact CB-CD1 3.8Å; M32-F47 HydrophobicContact CB-CD2 3.54Å; M32-F47 HydrophobicContact CB-CE1 4.17Å; M32-F47 HydrophobicContact CB-CE2 3.94Å; M32-F47 HydrophobicContact CB-CG 3.46Å; M32-F47 VanDerWaalsContact CB-CG 3.46Å; M32-F47 HydrophobicContact CB-CZ 4.23Å; M32-F47 HydrophobicContact CE-CD1 4.11Å; M32-F47 HydrophobicContact CE-CE1 3.98Å; M32-F47 HydrophobicContact CG-CB 4.49Å; M32-F47 HydrophobicContact CG-CD1 4.36Å; M32-F47 HydrophobicContact CG-CG 4.28Å |
| 33 | Y | 80.3 | Confident | 67.4 | Low | 148 Ų | 148 | 102.3 Ų | 102.3 | 58% | 0.58 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.5 | -176 | 69.7 | -82.2 | 0 | 0 | 0 | 111.5 | E35 F39 F47 | Y33-E35 HydrophobicContact CD2-CG 4.14Å; Y33-E35 HydrophobicContact CE2-CG 3.56Å; Y33-F39 CarbonylContact C-O 3.43Å; Y33-F39 WeakPolarHBondContact CA-O 3.47Å; Y33-F47 VanDerWaalsContact C-CE2 3.45Å; Y33-F47 WeakPolarHBondContact O-CZ 3.36Å |
| 34 | C | 79.1 | Confident | 69.5 | Low | 3 Ų | 3 | 97.1 Ų | 97.1 | 2% | 0.02 | 53% | 0.529 | C | S | . | . | | | trans | -100 | 106 | -178.3 | -174 | 0 | 0 | 0 | 0 | 111.3 | K36 C37 G38 F39 F47 H50 | C34-K36 PolarHBondContact O-N 3.27Å; C34-C37 PolarHBondContact O-N 2.58Å; C34-G38 PolarHBondContact O-N 3.07Å; C34-F39 HydrophobicContact CB-CB 4.21Å; C34-F39 PolarHBondContact N-O 3.42Å; C34-F47 HydrophobicContact CB-CE2 3.98Å; C34-F47 HydrophobicContact CB-CZ 4.49Å; C34-H50 WeakPolarHBondContact CB-NE2 3.46Å; C34-H50 PolarHBondContact SG-NE2 3.42Å |
| 35 | E | 67.1 | Low | 71.5 | Confident | 145 Ų | 145 | 91.7 Ų | 91.7 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -14.2 | 177.4 | -67.7 | -174 | 161.1 | 0 | 0 | 114.2 | Y33 | Y33-E35 HydrophobicContact CD2-CG 4.14Å; Y33-E35 HydrophobicContact CE2-CG 3.56Å |
| 36 | K | 57.5 | Low | 73.2 | Confident | 138 Ų | 138 | 86.8 Ų | 86.8 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -20.9 | -179.5 | -64.2 | -178.7 | 176.2 | -179.4 | 0 | 114.7 | C34 H54 | C34-K36 PolarHBondContact O-N 3.27Å; K36-H54 HydrophobicContact CD-CB 3.99Å |
| 37 | C | 72.9 | Confident | 75.1 | Confident | 71 Ų | 71 | 82.3 Ų | 82.3 | 48% | 0.48 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.9 | -6.8 | -171 | 66.1 | 0 | 0 | 0 | 0 | 115.4 | C34 F39 H50 H54 | C34-C37 PolarHBondContact O-N 2.58Å; C37-F39 VanDerWaalsContact C-N 3.32Å; C37-F39 PolarHBondContact O-N 3.11Å; C37-F39 VanDerWaalsContact SG-CB 3.53Å; C37-F39 PolarHBondContact SG-N 2.8Å; C37-H50 PolarHBondContact SG-CE1 3.17Å; C37-H50 PolarHBondContact SG-NE2 3.14Å; C37-H54 PolarHBondContact SG-NE2 3.28Å |
| 38 | G | 73.4 | Confident | 76.5 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 63% | 0.629 | 47% | 0.466 | S | S | * | . | | | trans | 81.5 | 0.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C34 T40 | C34-G38 PolarHBondContact O-N 3.07Å; G38-T40 PolarHBondContact O-N 3.04Å |
| 39 | F | 81.9 | Confident | 77.9 | Confident | 79 Ų | 79 | 82.6 Ų | 82.6 | 35% | 0.346 | 45% | 0.446 | S | S | . | . | | | trans | -61.2 | 132.1 | 176.2 | 179.6 | -103.3 | 0 | 0 | 0 | 111.6 | Y33 C34 C37 V46 H50 | Y33-F39 CarbonylContact C-O 3.43Å; Y33-F39 WeakPolarHBondContact CA-O 3.47Å; C34-F39 HydrophobicContact CB-CB 4.21Å; C34-F39 PolarHBondContact N-O 3.42Å; C37-F39 VanDerWaalsContact C-N 3.32Å; C37-F39 PolarHBondContact O-N 3.11Å; C37-F39 VanDerWaalsContact SG-CB 3.53Å; C37-F39 PolarHBondContact SG-N 2.8Å; F39-V46 HydrophobicContact CE1-CG1 4.07Å; F39-V46 HydrophobicContact CZ-CG1 3.79Å; F39-H50 HydrophobicContact CD1-CB 4.04Å; F39-H50 AromaticContact CD1-CD2 3.45Å; F39-H50 VanDerWaalsContact CD1-CD2 3.45Å; F39-H50 WeakPolarHBondContact CD1-CD2 3.3Å; F39-H50 AromaticContact CD1-CE1 3.92Å; F39-H50 AromaticContact CD1-CG 3.43Å; F39-H50 VanDerWaalsContact CD1-CG 3.43Å; F39-H50 AromaticContact CD1-ND1 3.74Å; F39-H50 AromaticContact CD1-NE2 3.78Å; F39-H50 HydrophobicContact CE1-CB 3.88Å; F39-H50 AromaticContact CE1-CG 3.79Å; F39-H50 AromaticContact CG-CE1 3.85Å; F39-H50 AromaticContact CG-ND1 3.93Å; F39-H50 AromaticContact CG-NE2 3.97Å |
| 40 | T | 78.6 | Confident | 79.3 | Confident | 88 Ų | 88 | 80.6 Ų | 80.6 | 54% | 0.54 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.5 | 178.4 | 47.7 | 0 | 0 | 0 | 0 | 110.4 | V31 M32 G38 | V31-T40 HydrophobicContact CG1-CG2 4.23Å; M32-T40 WeakPolarHBondContact O-CA 3.36Å; G38-T40 PolarHBondContact O-N 3.04Å |
| 41 | S | 86.3 | Confident | 79.2 | Confident | 13 Ų | 13 | 75.8 Ų | 75.8 | 9% | 0.091 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 133.3 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | M32 D43 | M32-S41 PolarHBondContact N-O 3.33Å; M32-S41 PolarHBondContact O-N 3.39Å; S41-D43 VanDerWaalsContact C-N 3.32Å; S41-D43 PolarHBondContact OG-N 2.89Å; S41-D43 VanDerWaalsContact OG-N 3.11Å; S41-D43 PolarHBondContact OG-O 2.94Å |
| 42 | T | 88.1 | Confident | 79.4 | Confident | 88 Ų | 88 | 77.4 Ų | 77.4 | 54% | 0.54 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -71.8 | -29.1 | 166.8 | 43.2 | 0 | 0 | 0 | 0 | 112.1 | V31 | V31-T42 HydrophobicContact CG2-CG2 3.94Š|
| 43 | D | 83 | Confident | 78.6 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 32% | 0.316 | 42% | 0.423 | S | S | . | . | | | trans | -86.2 | 121.6 | 178 | 172.6 | 25.9 | 0 | 0 | 0 | 111.5 | S41 V45 V46 F47 | S41-D43 VanDerWaalsContact C-N 3.32Å; S41-D43 PolarHBondContact OG-N 2.89Å; S41-D43 VanDerWaalsContact OG-N 3.11Å; S41-D43 PolarHBondContact OG-O 2.94Å; D43-V45 VanDerWaalsContact C-N 3.27Å; D43-V45 PolarHBondContact O-N 2.84Å; D43-V45 WeakPolarHBondContact OD1-CB 3.43Å; D43-V45 PolarHBondContact OD1-N 2.9Å; D43-V45 WeakPolarHBondContact OD2-CB 3.19Å; D43-V46 HydrophobicContact CB-CB 4.23Å; D43-V46 HydrophobicContact CB-CG2 4.49Å; D43-V46 WeakPolarHBondContact OD2-CB 3.38Å; D43-V46 VanDerWaalsContact OD2-CG2 3.23Å; D43-V46 WeakPolarHBondContact OD2-CG2 3.33Å; D43-V46 PolarHBondContact OD2-N 2.77Å; D43-F47 WeakPolarHBondContact O-CB 3.4Å; D43-F47 PolarHBondContact O-N 3.45Å |
| 44 | P | 82.2 | Confident | 77.9 | Confident | 72 Ų | 72 | 73 Ų | 73 | 47% | 0.468 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.6 | -16.6 | 174.1 | 30.2 | -36.6 | 0 | 0 | 0 | 114.1 | K48 | P44-K48 WeakPolarHBondContact O-CB 3.35Å; P44-K48 WeakPolarHBondContact O-CG 3.47Å; P44-K48 PolarHBondContact O-N 3.39Å |
| 45 | V | 85.7 | Confident | 77 | Confident | 94 Ų | 94 | 75.3 Ų | 75.3 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -76.1 | -53.3 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | D43 F47 K48 T49 | D43-V45 VanDerWaalsContact C-N 3.27Å; D43-V45 PolarHBondContact O-N 2.84Å; D43-V45 WeakPolarHBondContact OD1-CB 3.43Å; D43-V45 PolarHBondContact OD1-N 2.9Å; D43-V45 WeakPolarHBondContact OD2-CB 3.19Å; V45-F47 PolarHBondContact O-N 3.46Å; V45-K48 WeakPolarHBondContact O-CA 3.39Å; V45-K48 WeakPolarHBondContact O-CB 3.43Å; V45-K48 PolarHBondContact O-N 2.89Å; V45-T49 PolarHBondContact O-N 3.37Å; V45-T49 PolarHBondContact O-OG1 2.86Å |
| 46 | V | 84.6 | Confident | 76.9 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 38% | 0.382 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.4 | -37.6 | 170 | 166.6 | 0 | 0 | 0 | 0 | 111.7 | F39 D43 K48 T49 H50 | F39-V46 HydrophobicContact CE1-CG1 4.07Å; F39-V46 HydrophobicContact CZ-CG1 3.79Å; D43-V46 HydrophobicContact CB-CB 4.23Å; D43-V46 HydrophobicContact CB-CG2 4.49Å; D43-V46 WeakPolarHBondContact OD2-CB 3.38Å; D43-V46 VanDerWaalsContact OD2-CG2 3.23Å; D43-V46 WeakPolarHBondContact OD2-CG2 3.33Å; D43-V46 PolarHBondContact OD2-N 2.77Å; V46-K48 PolarHBondContact O-N 3.22Å; V46-T49 WeakPolarHBondContact CA-OG1 3.12Å; V46-T49 PolarHBondContact O-OG1 3.44Å; V46-T49 VanDerWaalsContact O-OG1 3.04Å; V46-H50 WeakPolarHBondContact O-CB 3.46Å; V46-H50 PolarHBondContact O-N 3.38Å |
| 47 | F | 85.6 | Confident | 77.3 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 10% | 0.101 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 173.3 | -169.8 | -103.3 | 0 | 0 | 0 | 112.9 | M32 Y33 C34 D43 V45 M51 | M32-F47 HydrophobicContact CB-CB 3.97Å; M32-F47 HydrophobicContact CB-CD1 3.8Å; M32-F47 HydrophobicContact CB-CD2 3.54Å; M32-F47 HydrophobicContact CB-CE1 4.17Å; M32-F47 HydrophobicContact CB-CE2 3.94Å; M32-F47 HydrophobicContact CB-CG 3.46Å; M32-F47 VanDerWaalsContact CB-CG 3.46Å; M32-F47 HydrophobicContact CB-CZ 4.23Å; M32-F47 HydrophobicContact CE-CD1 4.11Å; M32-F47 HydrophobicContact CE-CE1 3.98Å; M32-F47 HydrophobicContact CG-CB 4.49Å; M32-F47 HydrophobicContact CG-CD1 4.36Å; M32-F47 HydrophobicContact CG-CG 4.28Å; Y33-F47 VanDerWaalsContact C-CE2 3.45Å; Y33-F47 WeakPolarHBondContact O-CZ 3.36Å; C34-F47 HydrophobicContact CB-CE2 3.98Å; C34-F47 HydrophobicContact CB-CZ 4.49Å; D43-F47 WeakPolarHBondContact O-CB 3.4Å; D43-F47 PolarHBondContact O-N 3.45Å; V45-F47 PolarHBondContact O-N 3.46Å; F47-M51 HydrophobicContact CD1-CG 3.96Å; F47-M51 HydrophobicContact CE1-CG 3.66Å; F47-M51 HydrophobicContact CE1-SD 3.89Å; F47-M51 HydrophobicContact CZ-CG 4.04Å; F47-M51 HydrophobicContact CZ-SD 4.01Å; F47-M51 WeakPolarHBondContact O-CB 3.26Å; F47-M51 WeakPolarHBondContact O-CG 3.25Å; F47-M51 PolarHBondContact O-N 3.29Å |
| 48 | K | 80.7 | Confident | 77.2 | Confident | 143 Ų | 143 | 68.1 Ų | 68.1 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.6 | -42 | 176.4 | -81.3 | 171.2 | 179.9 | 177.6 | 0 | 112.7 | P44 V45 V46 H50 M51 I52 | P44-K48 WeakPolarHBondContact O-CB 3.35Å; P44-K48 WeakPolarHBondContact O-CG 3.47Å; P44-K48 PolarHBondContact O-N 3.39Å; V45-K48 WeakPolarHBondContact O-CA 3.39Å; V45-K48 WeakPolarHBondContact O-CB 3.43Å; V45-K48 PolarHBondContact O-N 2.89Å; V46-K48 PolarHBondContact O-N 3.22Å; K48-H50 VanDerWaalsContact C-N 3.34Å; K48-M51 PolarHBondContact O-N 2.98Å; K48-I52 VanDerWaalsContact O-CG1 3.31Å; K48-I52 WeakPolarHBondContact O-CG1 3.43Å; K48-I52 PolarHBondContact O-N 3.14Å |
| 49 | T | 80.8 | Confident | 77 | Confident | 77 Ų | 77 | 70.6 Ų | 70.6 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.5 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | V45 V46 M51 I52 E53 | V45-T49 PolarHBondContact O-N 3.37Å; V45-T49 PolarHBondContact O-OG1 2.86Å; V46-T49 WeakPolarHBondContact CA-OG1 3.12Å; V46-T49 PolarHBondContact O-OG1 3.44Å; V46-T49 VanDerWaalsContact O-OG1 3.04Å; T49-M51 VanDerWaalsContact C-N 3.35Å; T49-M51 PolarHBondContact O-N 2.95Å; T49-I52 WeakPolarHBondContact O-CB 3.29Å; T49-I52 PolarHBondContact O-N 3.04Å; T49-I52 VanDerWaalsContact O-N 3.11Å; T49-E53 PolarHBondContact O-N 3.06Å |
| 50 | H | 82.8 | Confident | 76.7 | Confident | 25 Ų | 25 | 66.9 Ų | 66.9 | 12% | 0.116 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 170.2 | 174.1 | 72.4 | 0 | 0 | 0 | 113.2 | C34 C37 F39 V46 K48 I52 E53 H54 | C34-H50 WeakPolarHBondContact CB-NE2 3.46Å; C34-H50 PolarHBondContact SG-NE2 3.42Å; C37-H50 PolarHBondContact SG-CE1 3.17Å; C37-H50 PolarHBondContact SG-NE2 3.14Å; F39-H50 HydrophobicContact CD1-CB 4.04Å; F39-H50 AromaticContact CD1-CD2 3.45Å; F39-H50 VanDerWaalsContact CD1-CD2 3.45Å; F39-H50 WeakPolarHBondContact CD1-CD2 3.3Å; F39-H50 AromaticContact CD1-CE1 3.92Å; F39-H50 AromaticContact CD1-CG 3.43Å; F39-H50 VanDerWaalsContact CD1-CG 3.43Å; F39-H50 AromaticContact CD1-ND1 3.74Å; F39-H50 AromaticContact CD1-NE2 3.78Å; F39-H50 HydrophobicContact CE1-CB 3.88Å; F39-H50 AromaticContact CE1-CG 3.79Å; F39-H50 AromaticContact CG-CE1 3.85Å; F39-H50 AromaticContact CG-ND1 3.93Å; F39-H50 AromaticContact CG-NE2 3.97Å; V46-H50 WeakPolarHBondContact O-CB 3.46Å; V46-H50 PolarHBondContact O-N 3.38Å; K48-H50 VanDerWaalsContact C-N 3.34Å; H50-I52 VanDerWaalsContact C-N 3.33Å; H50-I52 PolarHBondContact O-N 3.46Å; H50-E53 VanDerWaalsContact O-CB 3.31Å; H50-E53 WeakPolarHBondContact O-CB 3.43Å; H50-E53 PolarHBondContact O-N 2.87Å; H50-H54 AromaticContact CE1-CD2 3.53Å; H50-H54 AromaticContact CE1-NE2 3.39Å; H50-H54 PolarHBondContact CE1-NE2 3.23Å; H50-H54 AromaticContact NE2-CD2 3.3Å; H50-H54 PolarHBondContact NE2-CD2 3.28Å; H50-H54 VanDerWaalsContact NE2-CD2 3.3Å; H50-H54 AromaticContact NE2-NE2 3.39Å; H50-H54 PolarHBondContact NE2-NE2 3.43Å; H50-H54 PolarHBondContact O-N 3.44Å; H50-H54 VanDerWaalsContact O-N 3.16Å |
| 51 | M | 75 | Confident | 75.8 | Confident | 68 Ų | 68 | 71 Ų | 71 | 34% | 0.335 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.6 | -32.4 | 173.5 | -73 | -96.4 | 73.4 | 0 | 0 | 112.7 | F47 K48 T49 H54 G55 | F47-M51 HydrophobicContact CD1-CG 3.96Å; F47-M51 HydrophobicContact CE1-CG 3.66Å; F47-M51 HydrophobicContact CE1-SD 3.89Å; F47-M51 HydrophobicContact CZ-CG 4.04Å; F47-M51 HydrophobicContact CZ-SD 4.01Å; F47-M51 WeakPolarHBondContact O-CB 3.26Å; F47-M51 WeakPolarHBondContact O-CG 3.25Å; F47-M51 PolarHBondContact O-N 3.29Å; K48-M51 PolarHBondContact O-N 2.98Å; T49-M51 VanDerWaalsContact C-N 3.35Å; T49-M51 PolarHBondContact O-N 2.95Å; M51-H54 HydrophobicContact CE-CB 4.26Å; M51-H54 CarbonylContact O-C 3.59Å; M51-H54 PolarHBondContact O-N 2.96Å; M51-G55 PolarHBondContact O-N 3.03Å |
| 52 | I | 78.3 | Confident | 74.5 | Confident | 110 Ų | 110 | 76.3 Ų | 76.3 | 56% | 0.564 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.2 | -38.8 | 173.5 | -69.3 | 161.6 | 0 | 0 | 0 | 110.7 | K48 T49 H50 H54 G55 T56 | K48-I52 VanDerWaalsContact O-CG1 3.31Å; K48-I52 WeakPolarHBondContact O-CG1 3.43Å; K48-I52 PolarHBondContact O-N 3.14Å; T49-I52 WeakPolarHBondContact O-CB 3.29Å; T49-I52 PolarHBondContact O-N 3.04Å; T49-I52 VanDerWaalsContact O-N 3.11Å; H50-I52 VanDerWaalsContact C-N 3.33Å; H50-I52 PolarHBondContact O-N 3.46Å; I52-H54 PolarHBondContact O-N 2.86Å; I52-G55 CarbonylContact O-C 3.51Å; I52-G55 VanDerWaalsContact O-CA 3.32Å; I52-G55 WeakPolarHBondContact O-CA 3.24Å; I52-G55 PolarHBondContact O-N 3.39Å; I52-T56 PolarHBondContact O-N 3.42Å; I52-T56 PolarHBondContact O-OG1 3.34Å |
| 53 | E | 65.9 | Low | 73.5 | Confident | 95 Ų | 95 | 72.7 Ų | 72.7 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.1 | -23.2 | 168.5 | -95.3 | -159.1 | -121.5 | 0 | 0 | 114.1 | T49 H50 R57 | T49-E53 PolarHBondContact O-N 3.06Å; H50-E53 VanDerWaalsContact O-CB 3.31Å; H50-E53 WeakPolarHBondContact O-CB 3.43Å; H50-E53 PolarHBondContact O-N 2.87Å; E53-R57 VanDerWaalsContact O-CD 3.24Å; E53-R57 WeakPolarHBondContact O-CD 3.45Å; E53-R57 WeakPolarHBondContact O-CG 3.46Å; E53-R57 PolarHBondContact O-NH1 2.87Å; E53-R57 IonicContact OE2-CZ 3.11Å; E53-R57 IonicContact OE2-NH1 2.68Å; E53-R57 PolarHBondContact OE2-NH1 3.44Å; E53-R57 IonicContact OE2-NH2 2.72Å; E53-R57 PolarHBondContact OE2-NH2 3.4Å |
| 54 | H | 66 | Low | 72.6 | Confident | 17 Ų | 17 | 76 Ų | 76 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -7.5 | 168.6 | -82.6 | -61.3 | 0 | 0 | 0 | 113.8 | K36 C37 H50 M51 I52 | K36-H54 HydrophobicContact CD-CB 3.99Å; C37-H54 PolarHBondContact SG-NE2 3.28Å; H50-H54 AromaticContact CE1-CD2 3.53Å; H50-H54 AromaticContact CE1-NE2 3.39Å; H50-H54 PolarHBondContact CE1-NE2 3.23Å; H50-H54 AromaticContact NE2-CD2 3.3Å; H50-H54 PolarHBondContact NE2-CD2 3.28Å; H50-H54 VanDerWaalsContact NE2-CD2 3.3Å; H50-H54 AromaticContact NE2-NE2 3.39Å; H50-H54 PolarHBondContact NE2-NE2 3.43Å; H50-H54 PolarHBondContact O-N 3.44Å; H50-H54 VanDerWaalsContact O-N 3.16Å; M51-H54 HydrophobicContact CE-CB 4.26Å; M51-H54 CarbonylContact O-C 3.59Å; M51-H54 PolarHBondContact O-N 2.96Å; I52-H54 PolarHBondContact O-N 2.86Å |
| 55 | G | 61.5 | Low | 71.9 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 55% | 0.546 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -25.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | M51 I52 | M51-G55 PolarHBondContact O-N 3.03Å; I52-G55 CarbonylContact O-C 3.51Å; I52-G55 VanDerWaalsContact O-CA 3.32Å; I52-G55 WeakPolarHBondContact O-CA 3.24Å; I52-G55 PolarHBondContact O-N 3.39Å |
| 56 | T | 63.8 | Low | 71.5 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -94.1 | 16.8 | 175.2 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | I52 F68 | I52-T56 PolarHBondContact O-N 3.42Å; I52-T56 PolarHBondContact O-OG1 3.34Å; T56-F68 WeakPolarHBondContact O-CA 3.33Å |
| 57 | R | 66.5 | Low | 71.2 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 26% | 0.26 | 36% | 0.356 | S | S | . | . | | | trans | -127 | 101.2 | 179.1 | -71.6 | 177.3 | 176.7 | 120.6 | -5.3 | 110.2 | E53 Y59 M66 F68 | E53-R57 VanDerWaalsContact O-CD 3.24Å; E53-R57 WeakPolarHBondContact O-CD 3.45Å; E53-R57 WeakPolarHBondContact O-CG 3.46Å; E53-R57 PolarHBondContact O-NH1 2.87Å; E53-R57 IonicContact OE2-CZ 3.11Å; E53-R57 IonicContact OE2-NH1 2.68Å; E53-R57 PolarHBondContact OE2-NH1 3.44Å; E53-R57 IonicContact OE2-NH2 2.72Å; E53-R57 PolarHBondContact OE2-NH2 3.4Å; R57-Y59 HydrophobicContact CB-CE2 4Å; R57-Y59 VanDerWaalsContact O-CD2 3.26Å; R57-Y59 WeakPolarHBondContact O-CD2 3.36Å; R57-Y59 VanDerWaalsContact O-CE2 3.22Å; R57-Y59 WeakPolarHBondContact O-CE2 3.49Å; R57-M66 HydrophobicContact CB-CG 4.14Å; R57-M66 HydrophobicContact CB-SD 4.3Å; R57-M66 VanDerWaalsContact CD-SD 3.53Å; R57-M66 HydrophobicContact CG-CG 4.17Å; R57-M66 HydrophobicContact CG-SD 3.82Å; R57-F68 HydrophobicContact CG-CD1 4.26Å; R57-F68 HydrophobicContact CG-CE1 4.09Å |
| 58 | F | 69.8 | Low | 70.8 | Confident | 64 Ų | 64 | 76 Ų | 76 | 28% | 0.281 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 135.7 | 175.9 | -65.6 | -92.2 | 0 | 0 | 0 | 109.7 | M66 S67 S69 E70 L73 | F58-M66 CarbonylContact O-C 3.6Å; F58-M66 WeakPolarHBondContact O-CA 3.29Å; F58-S67 PolarHBondContact N-O 3.46Å; F58-S67 PolarHBondContact O-N 3.26Å; F58-S69 VanDerWaalsContact CD2-C 3.42Å; F58-E70 HydrophobicContact CD1-CB 4.47Å; F58-E70 HydrophobicContact CE1-CB 3.87Å; F58-E70 HydrophobicContact CE1-CG 4.46Å; F58-E70 HydrophobicContact CE2-CB 4.41Å; F58-E70 HydrophobicContact CZ-CB 3.84Å; F58-L73 HydrophobicContact CB-CB 3.96Å; F58-L73 HydrophobicContact CB-CD2 3.91Å; F58-L73 HydrophobicContact CB-CG 4.38Å; F58-L73 HydrophobicContact CD1-CD2 4.1Å; F58-L73 HydrophobicContact CG-CB 4.48Å; F58-L73 HydrophobicContact CG-CD2 4.42Å |
| 59 | Y | 70.3 | Confident | 70.5 | Confident | 113 Ų | 113 | 71 Ų | 71 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.9 | -177.3 | -65.7 | -94.2 | 0 | 0 | 0 | 111.2 | R57 F61 A65 M66 | R57-Y59 HydrophobicContact CB-CE2 4Å; R57-Y59 VanDerWaalsContact O-CD2 3.26Å; R57-Y59 WeakPolarHBondContact O-CD2 3.36Å; R57-Y59 VanDerWaalsContact O-CE2 3.22Å; R57-Y59 WeakPolarHBondContact O-CE2 3.49Å; Y59-F61 PolarHBondContact O-N 3.23Å; Y59-A65 WeakPolarHBondContact CA-O 3.49Å; Y59-M66 HydrophobicContact CE1-CB 4.49Å; Y59-M66 HydrophobicContact CE1-CE 3.89Å; Y59-M66 HydrophobicContact CE1-CG 4.37Å |
| 60 | C | 76.4 | Confident | 70.1 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | | | trans | -73.3 | 114.1 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | Y62 C63 N64 A65 L73 H76 H80 | C60-Y62 VanDerWaalsContact C-N 3.27Å; C60-Y62 PolarHBondContact O-N 3.37Å; C60-Y62 VanDerWaalsContact O-N 3.17Å; C60-C63 HydrophobicContact CB-CB 4.22Å; C60-C63 PolarHBondContact O-N 2.79Å; C60-N64 WeakPolarHBondContact O-CA 3.08Å; C60-N64 PolarHBondContact O-N 3.04Å; C60-A65 HydrophobicContact CB-CB 4.4Å; C60-A65 PolarHBondContact N-O 3.27Å; C60-L73 HydrophobicContact CB-CD1 4.06Å; C60-H76 VanDerWaalsContact CB-CD2 3.44Å; C60-H76 WeakPolarHBondContact CB-CD2 3.01Å; C60-H76 PolarHBondContact SG-CD2 2.87Å; C60-H76 PolarHBondContact SG-NE2 3.12Å; C60-H76 VanDerWaalsContact SG-NE2 3.42Å; C60-H80 PolarHBondContact SG-NE2 3.44Å |
| 61 | F | 58.6 | Low | 69.9 | Low | 176 Ų | 176 | 77.2 Ų | 77.2 | 77% | 0.772 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -37.8 | -179.1 | -178.6 | -101.2 | 0 | 0 | 0 | 114.6 | Y59 C63 | Y59-F61 PolarHBondContact O-N 3.23Å; F61-C63 VanDerWaalsContact C-N 3.27Å; F61-C63 PolarHBondContact O-N 3.31Å |
| 62 | Y | 60 | Low | 70 | Confident | 123 Ų | 123 | 77.8 Ų | 77.8 | 48% | 0.482 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13 | -177.6 | -57.6 | -66.5 | 0 | 0 | 0 | 114.5 | C60 L77 H80 | C60-Y62 VanDerWaalsContact C-N 3.27Å; C60-Y62 PolarHBondContact O-N 3.37Å; C60-Y62 VanDerWaalsContact O-N 3.17Å; Y62-L77 HydrophobicContact CD2-CD2 3.94Å; Y62-L77 HydrophobicContact CE2-CD2 3.88Å; Y62-H80 WeakPolarHBondContact CB-ND1 3.21Å; Y62-H80 HydrophobicContact CD2-CB 4.13Å; Y62-H80 AromaticContact CD2-CG 3.75Å; Y62-H80 AromaticContact CD2-ND1 3.69Å; Y62-H80 HydrophobicContact CE2-CB 4.45Å; Y62-H80 AromaticContact CG-ND1 3.75Å |
| 63 | C | 67.2 | Low | 70.2 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 8% | 0.081 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -152.2 | -18.7 | -151.3 | 143.2 | 0 | 0 | 0 | 0 | 115.1 | C60 F61 A65 H76 R97 | C60-C63 HydrophobicContact CB-CB 4.22Å; C60-C63 PolarHBondContact O-N 2.79Å; F61-C63 VanDerWaalsContact C-N 3.27Å; F61-C63 PolarHBondContact O-N 3.31Å; C63-A65 PolarHBondContact O-N 3.44Å; C63-A65 VanDerWaalsContact O-N 3.13Å; C63-A65 WeakPolarHBondContact SG-CB 3.4Å; C63-A65 PolarHBondContact SG-N 3.01Å; C63-A65 VanDerWaalsContact SG-N 3.39Å; C63-H76 PolarHBondContact SG-NE2 3.46Å; C63-R97 PolarHBondContact O-NH1 3.05Å; C63-R97 PolarHBondContact SG-NH2 2.96Å |
| 64 | N | 63.9 | Low | 70.8 | Confident | 130 Ų | 130 | 73 Ų | 73 | 70% | 0.695 | 37% | 0.371 | S | S | * | . | | | trans | 53.7 | 20.5 | -174.6 | -61.9 | 19.3 | 0 | 0 | 0 | 114.6 | C60 | C60-N64 WeakPolarHBondContact O-CA 3.08Å; C60-N64 PolarHBondContact O-N 3.04Å |
| 65 | A | 66.9 | Low | 71.4 | Confident | 31 Ų | 31 | 77.9 Ų | 77.9 | 26% | 0.256 | 39% | 0.394 | S | S | . | . | | | trans | -62.9 | 142.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y59 C60 C63 | Y59-A65 WeakPolarHBondContact CA-O 3.49Å; C60-A65 HydrophobicContact CB-CB 4.4Å; C60-A65 PolarHBondContact N-O 3.27Å; C63-A65 PolarHBondContact O-N 3.44Å; C63-A65 VanDerWaalsContact O-N 3.13Å; C63-A65 WeakPolarHBondContact SG-CB 3.4Å; C63-A65 PolarHBondContact SG-N 3.01Å; C63-A65 VanDerWaalsContact SG-N 3.39Å |
| 66 | M | 76.6 | Confident | 72.3 | Confident | 87 Ų | 87 | 76.9 Ų | 76.9 | 43% | 0.429 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.2 | 176.4 | -173.3 | -172 | -60.1 | 0 | 0 | 108.4 | R57 F58 Y59 F68 | R57-M66 HydrophobicContact CB-CG 4.14Å; R57-M66 HydrophobicContact CB-SD 4.3Å; R57-M66 VanDerWaalsContact CD-SD 3.53Å; R57-M66 HydrophobicContact CG-CG 4.17Å; R57-M66 HydrophobicContact CG-SD 3.82Å; F58-M66 CarbonylContact O-C 3.6Å; F58-M66 WeakPolarHBondContact O-CA 3.29Å; Y59-M66 HydrophobicContact CE1-CB 4.49Å; Y59-M66 HydrophobicContact CE1-CE 3.89Å; Y59-M66 HydrophobicContact CE1-CG 4.37Å; M66-F68 HydrophobicContact SD-CE1 4.23Å; M66-F68 HydrophobicContact SD-CZ 4Å |
| 67 | S | 79.9 | Confident | 72.7 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.3 | 174.1 | -65 | 0 | 0 | 0 | 0 | 108.7 | F58 | F58-S67 PolarHBondContact N-O 3.46Å; F58-S67 PolarHBondContact O-N 3.26Å |
| 68 | F | 76.6 | Confident | 73.2 | Confident | 124 Ų | 124 | 79.1 Ų | 79.1 | 54% | 0.544 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -96.5 | -12.7 | -176.3 | -64.3 | -83.7 | 0 | 0 | 0 | 113 | T56 R57 M66 E72 | T56-F68 WeakPolarHBondContact O-CA 3.33Å; R57-F68 HydrophobicContact CG-CD1 4.26Å; R57-F68 HydrophobicContact CG-CE1 4.09Å; M66-F68 HydrophobicContact SD-CE1 4.23Å; M66-F68 HydrophobicContact SD-CZ 4Å; F68-E72 PolarHBondContact N-OE2 3.46Å |
| 69 | S | 73.6 | Confident | 73 | Confident | 37 Ų | 37 | 81 Ų | 81 | 26% | 0.259 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -130.3 | 159.3 | 169.5 | 69 | 0 | 0 | 0 | 0 | 113.2 | F58 V71 E72 L73 | F58-S69 VanDerWaalsContact CD2-C 3.42Å; S69-V71 PolarHBondContact O-N 2.72Å; S69-E72 VanDerWaalsContact CB-OE1 3.25Å; S69-E72 WeakPolarHBondContact CB-OE1 3.4Å; S69-E72 PolarHBondContact N-OE1 2.73Å; S69-E72 VanDerWaalsContact N-OE1 3.09Å; S69-E72 PolarHBondContact O-N 2.73Å; S69-E72 VanDerWaalsContact OG-CG 3.31Å; S69-E72 WeakPolarHBondContact OG-CG 3.45Å; S69-E72 PolarHBondContact OG-N 3.42Å; S69-E72 VanDerWaalsContact OG-N 3.13Å; S69-E72 PolarHBondContact OG-OE1 2.8Å; S69-L73 PolarHBondContact O-N 3.05Å |
| 70 | E | 72.6 | Confident | 72.8 | Confident | 123 Ų | 123 | 75.8 Ų | 75.8 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.7 | -28 | 171.6 | -178.7 | 173.6 | -177.1 | 0 | 0 | 112 | F58 L73 N74 | F58-E70 HydrophobicContact CD1-CB 4.47Å; F58-E70 HydrophobicContact CE1-CB 3.87Å; F58-E70 HydrophobicContact CE1-CG 4.46Å; F58-E70 HydrophobicContact CE2-CB 4.41Å; F58-E70 HydrophobicContact CZ-CB 3.84Å; E70-L73 PolarHBondContact O-N 3.35Å; E70-N74 WeakPolarHBondContact CG-ND2 3.4Å; E70-N74 WeakPolarHBondContact O-CB 3.02Å; E70-N74 PolarHBondContact O-N 3.35Å; E70-N74 PolarHBondContact O-ND2 3.02Å |
| 71 | V | 78.8 | Confident | 72.2 | Confident | 109 Ų | 109 | 80.9 Ų | 80.9 | 66% | 0.661 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.8 | -47.9 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | S69 L73 N74 E75 | S69-V71 PolarHBondContact O-N 2.72Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.09Å; V71-N74 PolarHBondContact O-N 3.1Å; V71-E75 PolarHBondContact O-N 2.74Å |
| 72 | E | 78 | Confident | 72.2 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 171.8 | -73.4 | 153.9 | -114.8 | 0 | 0 | 112 | F68 S69 E75 H76 | F68-E72 PolarHBondContact N-OE2 3.46Å; S69-E72 VanDerWaalsContact CB-OE1 3.25Å; S69-E72 WeakPolarHBondContact CB-OE1 3.4Å; S69-E72 PolarHBondContact N-OE1 2.73Å; S69-E72 VanDerWaalsContact N-OE1 3.09Å; S69-E72 PolarHBondContact O-N 2.73Å; S69-E72 VanDerWaalsContact OG-CG 3.31Å; S69-E72 WeakPolarHBondContact OG-CG 3.45Å; S69-E72 PolarHBondContact OG-N 3.42Å; S69-E72 VanDerWaalsContact OG-N 3.13Å; S69-E72 PolarHBondContact OG-OE1 2.8Å; E72-E75 PolarHBondContact O-N 3.48Å; E72-H76 WeakPolarHBondContact O-CB 3.35Å; E72-H76 PolarHBondContact O-N 2.66Å |
| 73 | L | 81.1 | Confident | 72.3 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.8 | 176.6 | 63.3 | 0 | 0 | 0 | 110.6 | F58 C60 S69 E70 V71 H76 L77 | F58-L73 HydrophobicContact CB-CB 3.96Å; F58-L73 HydrophobicContact CB-CD2 3.91Å; F58-L73 HydrophobicContact CB-CG 4.38Å; F58-L73 HydrophobicContact CD1-CD2 4.1Å; F58-L73 HydrophobicContact CG-CB 4.48Å; F58-L73 HydrophobicContact CG-CD2 4.42Å; C60-L73 HydrophobicContact CB-CD1 4.06Å; S69-L73 PolarHBondContact O-N 3.05Å; E70-L73 PolarHBondContact O-N 3.35Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.09Å; L73-H76 PolarHBondContact O-N 3.35Å; L73-L77 HydrophobicContact CD1-CD1 4.17Å; L73-L77 HydrophobicContact CD1-CG 4.1Å; L73-L77 HydrophobicContact CD2-CD1 4.41Å; L73-L77 HydrophobicContact CG-CD1 3.9Å; L73-L77 HydrophobicContact CG-CG 4.28Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 WeakPolarHBondContact O-CG 3.11Å; L73-L77 PolarHBondContact O-N 2.91Å |
| 74 | N | 77.9 | Confident | 72.8 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68 | -36.8 | 179.5 | -83.1 | -59.6 | 0 | 0 | 0 | 112.8 | E70 V71 L77 K78 | E70-N74 WeakPolarHBondContact CG-ND2 3.4Å; E70-N74 WeakPolarHBondContact O-CB 3.02Å; E70-N74 PolarHBondContact O-N 3.35Å; E70-N74 PolarHBondContact O-ND2 3.02Å; V71-N74 PolarHBondContact O-N 3.1Å; N74-L77 PolarHBondContact O-N 3.05Å; N74-K78 WeakPolarHBondContact O-CG 3.38Å; N74-K78 PolarHBondContact O-N 3.34Å; N74-K78 VanDerWaalsContact O-N 3.09Å |
| 75 | E | 78.9 | Confident | 73.4 | Confident | 120 Ų | 120 | 79.6 Ų | 79.6 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.5 | -45.5 | 171.5 | -172.4 | 178.8 | 167.1 | 0 | 0 | 111.4 | V71 E72 L77 K78 Q79 | V71-E75 PolarHBondContact O-N 2.74Å; E72-E75 PolarHBondContact O-N 3.48Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.28Å; E75-K78 WeakPolarHBondContact O-CB 3.43Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 VanDerWaalsContact O-N 3.15Å; E75-Q79 PolarHBondContact O-N 3.07Å |
| 76 | H | 80.3 | Confident | 74.1 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 15% | 0.148 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 173.8 | 179.8 | 66.1 | 0 | 0 | 0 | 111.5 | C60 C63 E72 L73 K78 Q79 H80 | C60-H76 VanDerWaalsContact CB-CD2 3.44Å; C60-H76 WeakPolarHBondContact CB-CD2 3.01Å; C60-H76 PolarHBondContact SG-CD2 2.87Å; C60-H76 PolarHBondContact SG-NE2 3.12Å; C60-H76 VanDerWaalsContact SG-NE2 3.42Å; C63-H76 PolarHBondContact SG-NE2 3.46Å; E72-H76 WeakPolarHBondContact O-CB 3.35Å; E72-H76 PolarHBondContact O-N 2.66Å; L73-H76 PolarHBondContact O-N 3.35Å; H76-K78 VanDerWaalsContact C-N 3.35Å; H76-K78 PolarHBondContact O-N 3.13Å; H76-Q79 PolarHBondContact ND1-OE1 3.36Å; H76-Q79 WeakPolarHBondContact O-CB 3.38Å; H76-Q79 PolarHBondContact O-N 3.17Å; H76-H80 AromaticContact CD2-NE2 3.59Å; H76-H80 AromaticContact CE1-NE2 3.55Å; H76-H80 AromaticContact NE2-CD2 3.96Å; H76-H80 AromaticContact NE2-CE1 3.93Å; H76-H80 AromaticContact NE2-NE2 2.99Å; H76-H80 PolarHBondContact NE2-NE2 3.28Å; H76-H80 PolarHBondContact O-CD2 3.1Å |
| 77 | L | 73.4 | Confident | 74.5 | Confident | 46 Ų | 46 | 84.1 Ų | 84.1 | 24% | 0.241 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.4 | -37 | 175.8 | -75.6 | 170.8 | 0 | 0 | 0 | 112.4 | Y62 L73 N74 E75 Q79 H80 T81 | Y62-L77 HydrophobicContact CD2-CD2 3.94Å; Y62-L77 HydrophobicContact CE2-CD2 3.88Å; L73-L77 HydrophobicContact CD1-CD1 4.17Å; L73-L77 HydrophobicContact CD1-CG 4.1Å; L73-L77 HydrophobicContact CD2-CD1 4.41Å; L73-L77 HydrophobicContact CG-CD1 3.9Å; L73-L77 HydrophobicContact CG-CG 4.28Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 WeakPolarHBondContact O-CG 3.11Å; L73-L77 PolarHBondContact O-N 2.91Å; N74-L77 PolarHBondContact O-N 3.05Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.28Å; L77-Q79 PolarHBondContact O-N 3.42Å; L77-H80 WeakPolarHBondContact O-CA 3.36Å; L77-H80 WeakPolarHBondContact O-CB 3.35Å; L77-H80 PolarHBondContact O-N 3.48Å; L77-T81 PolarHBondContact O-N 2.99Å; L77-T81 VanDerWaalsContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 3.34Å |
| 78 | K | 76.6 | Confident | 75 | Confident | 140 Ų | 140 | 83.8 Ų | 83.8 | 61% | 0.609 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.8 | -27.2 | 172.2 | -66.9 | 166.9 | -168.8 | 173.1 | 0 | 113 | N74 E75 H76 H80 S82 | N74-K78 WeakPolarHBondContact O-CG 3.38Å; N74-K78 PolarHBondContact O-N 3.34Å; N74-K78 VanDerWaalsContact O-N 3.09Å; E75-K78 WeakPolarHBondContact O-CB 3.43Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 VanDerWaalsContact O-N 3.15Å; H76-K78 VanDerWaalsContact C-N 3.35Å; H76-K78 PolarHBondContact O-N 3.13Å; K78-H80 VanDerWaalsContact C-N 3.29Å; K78-H80 PolarHBondContact O-N 3.39Å; K78-S82 WeakPolarHBondContact O-CB 3.37Å; K78-S82 PolarHBondContact O-N 3.21Å; K78-S82 PolarHBondContact O-OG 2.72Å |
| 79 | Q | 65.9 | Low | 75.5 | Confident | 102 Ų | 102 | 85.8 Ų | 85.8 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.8 | -29.8 | 173.5 | -54 | 175 | -8.9 | 0 | 0 | 111.7 | E75 H76 L77 M96 | E75-Q79 PolarHBondContact O-N 3.07Å; H76-Q79 PolarHBondContact ND1-OE1 3.36Å; H76-Q79 WeakPolarHBondContact O-CB 3.38Å; H76-Q79 PolarHBondContact O-N 3.17Å; L77-Q79 PolarHBondContact O-N 3.42Å; Q79-M96 WeakPolarHBondContact O-CE 3.44Å |
| 80 | H | 66.3 | Low | 75.9 | Confident | 4 Ų | 4 | 88.7 Ų | 88.7 | 2% | 0.019 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -75.2 | -50.2 | 171.7 | -59 | -98.6 | 0 | 0 | 0 | 110.8 | C60 Y62 H76 L77 K78 S82 Y84 M96 | C60-H80 PolarHBondContact SG-NE2 3.44Å; Y62-H80 WeakPolarHBondContact CB-ND1 3.21Å; Y62-H80 HydrophobicContact CD2-CB 4.13Å; Y62-H80 AromaticContact CD2-CG 3.75Å; Y62-H80 AromaticContact CD2-ND1 3.69Å; Y62-H80 HydrophobicContact CE2-CB 4.45Å; Y62-H80 AromaticContact CG-ND1 3.75Å; H76-H80 AromaticContact CD2-NE2 3.59Å; H76-H80 AromaticContact CE1-NE2 3.55Å; H76-H80 AromaticContact NE2-CD2 3.96Å; H76-H80 AromaticContact NE2-CE1 3.93Å; H76-H80 AromaticContact NE2-NE2 2.99Å; H76-H80 PolarHBondContact NE2-NE2 3.28Å; H76-H80 PolarHBondContact O-CD2 3.1Å; L77-H80 WeakPolarHBondContact O-CA 3.36Å; L77-H80 WeakPolarHBondContact O-CB 3.35Å; L77-H80 PolarHBondContact O-N 3.48Å; K78-H80 VanDerWaalsContact C-N 3.29Å; K78-H80 PolarHBondContact O-N 3.39Å; H80-S82 VanDerWaalsContact C-N 3.25Å; H80-S82 PolarHBondContact O-N 3.5Å; H80-Y84 HydrophobicContact CB-CE1 4.02Å; H80-Y84 WeakPolarHBondContact O-CE1 3.43Å; H80-Y84 WeakPolarHBondContact O-CE2 3.41Å; H80-M96 HydrophobicContact CB-CG 4.03Å; H80-M96 WeakPolarHBondContact ND1-CG 3.44Å |
| 81 | T | 63.3 | Low | 76.5 | Confident | 109 Ų | 109 | 85.7 Ų | 85.7 | 67% | 0.669 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.7 | -26.8 | -173.3 | -6.2 | 0 | 0 | 0 | 0 | 114.3 | L77 | L77-T81 PolarHBondContact O-N 2.99Å; L77-T81 VanDerWaalsContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 3.34Å |
| 82 | S | 59.3 | Low | 76.4 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -93 | -33 | -170.6 | 56.2 | 0 | 0 | 0 | 0 | 115.5 | K78 H80 | K78-S82 WeakPolarHBondContact O-CB 3.37Å; K78-S82 PolarHBondContact O-N 3.21Å; K78-S82 PolarHBondContact O-OG 2.72Å; H80-S82 VanDerWaalsContact C-N 3.25Å; H80-S82 PolarHBondContact O-N 3.5Å |
| 83 | K | 60.5 | Low | 76.6 | Confident | 163 Ų | 163 | 84.4 Ų | 84.4 | 71% | 0.709 | 44% | 0.437 | S | S | * | . | | | trans | -150.3 | 95 | -175.9 | -68.6 | -174.1 | -178.3 | 175.6 | 0 | 112.6 | P85 M96 | K83-P85 WeakPolarHBondContact O-CD 3.46Å; K83-M96 WeakPolarHBondContact O-CE 3.37Å |
| 84 | Y | 77.4 | Confident | 76.7 | Confident | 74 Ų | 74 | 83.9 Ų | 83.9 | 29% | 0.29 | 44% | 0.438 | S | S | . | . | | | trans | -86.6 | 100.1 | 167.7 | -65.5 | -62.5 | 0 | 0 | 0 | 111.8 | H80 F86 M96 | H80-Y84 HydrophobicContact CB-CE1 4.02Å; H80-Y84 WeakPolarHBondContact O-CE1 3.43Å; H80-Y84 WeakPolarHBondContact O-CE2 3.41Å; Y84-F86 VanDerWaalsContact C-N 3.32Å; Y84-F86 PolarHBondContact O-N 3.19Å; Y84-M96 HydrophobicContact CD1-CG 3.92Å; Y84-M96 HydrophobicContact CD1-SD 3.61Å; Y84-M96 HydrophobicContact CE1-CG 4Å; Y84-M96 HydrophobicContact CE1-SD 4.11Å; Y84-M96 HydrophobicContact CG-SD 4.45Å |
| 85 | P | 77.2 | Confident | 77 | Confident | 90 Ų | 90 | 82.6 Ų | 82.6 | 58% | 0.584 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -73.4 | -18.6 | -179.1 | 29.4 | -37.3 | 0 | 0 | 0 | 114.2 | K83 | K83-P85 WeakPolarHBondContact O-CD 3.46Š|
| 86 | F | 82.8 | Confident | 77 | Confident | 74 Ų | 74 | 79.4 Ų | 79.4 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 108.6 | 178.3 | -51.4 | -75.8 | 0 | 0 | 0 | 109.4 | Y84 Y95 R97 K98 M101 | Y84-F86 VanDerWaalsContact C-N 3.32Å; Y84-F86 PolarHBondContact O-N 3.19Å; F86-Y95 WeakPolarHBondContact CB-O 3.45Å; F86-Y95 PolarHBondContact N-O 3.21Å; F86-Y95 PolarHBondContact O-N 2.96Å; F86-R97 VanDerWaalsContact CD2-C 3.43Å; F86-K98 HydrophobicContact CD1-CB 3.84Å; F86-K98 HydrophobicContact CD1-CG 4.34Å; F86-K98 HydrophobicContact CD2-CB 4.48Å; F86-K98 HydrophobicContact CE1-CB 3.84Å; F86-K98 HydrophobicContact CE1-CG 4.5Å; F86-K98 HydrophobicContact CE2-CB 4.47Å; F86-K98 HydrophobicContact CG-CB 4.18Å; F86-K98 HydrophobicContact CZ-CB 4.16Å; F86-M101 HydrophobicContact CB-CB 4.28Å; F86-M101 HydrophobicContact CB-SD 3.95Å |
| 87 | K | 84.9 | Confident | 77.1 | Confident | 139 Ų | 139 | 83.6 Ų | 83.6 | 60% | 0.604 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.1 | 175.1 | -64 | -174.9 | -178.8 | -177.5 | 0 | 110.4 | L89 Q93 | K87-L89 PolarHBondContact O-N 3.24Å; K87-Q93 CarbonylContact C-O 3.54Å; K87-Q93 VanDerWaalsContact CA-O 3.29Å; K87-Q93 WeakPolarHBondContact CA-O 3.23Å |
| 88 | C | 89.3 | Confident | 77.6 | Confident | 3 Ų | 3 | 87.4 Ų | 87.4 | 2% | 0.02 | 44% | 0.443 | C | S | . | . | | | trans | -66.3 | 128.7 | 171.7 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | H90 G92 Q93 Y95 M101 H104 | C88-H90 VanDerWaalsContact C-N 3.29Å; C88-H90 PolarHBondContact O-N 3.45Å; C88-H90 PolarHBondContact SG-N 2.96Å; C88-H90 VanDerWaalsContact SG-N 3.38Å; C88-G92 VanDerWaalsContact O-CA 3.25Å; C88-G92 WeakPolarHBondContact O-CA 3.49Å; C88-G92 PolarHBondContact O-N 3.28Å; C88-Q93 PolarHBondContact N-O 3.08Å; C88-Y95 HydrophobicContact CB-CE2 4.17Å; C88-M101 HydrophobicContact CB-CG 4.43Å; C88-H104 VanDerWaalsContact CB-NE2 3.26Å; C88-H104 WeakPolarHBondContact CB-NE2 3.37Å; C88-H104 PolarHBondContact SG-NE2 3.25Å |
| 89 | L | 86.8 | Confident | 78.1 | Confident | 165 Ų | 165 | 89.9 Ų | 89.9 | 86% | 0.864 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -24.5 | 178.4 | -62.3 | 176 | 0 | 0 | 0 | 113 | K87 | K87-L89 PolarHBondContact O-N 3.24Š|
| 90 | H | 81.9 | Confident | 78.9 | Confident | 98 Ų | 98 | 87.1 Ų | 87.1 | 45% | 0.454 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -23.9 | -177.3 | -57.6 | -87.8 | 0 | 0 | 0 | 114.1 | C88 H109 | C88-H90 VanDerWaalsContact C-N 3.29Å; C88-H90 PolarHBondContact O-N 3.45Å; C88-H90 PolarHBondContact SG-N 2.96Å; C88-H90 VanDerWaalsContact SG-N 3.38Å; H90-H109 HydrophobicContact CB-CB 4.24Å; H90-H109 AromaticContact CG-CG 3.84Å |
| 91 | C | 85 | Confident | 80.2 | Confident | 60 Ų | 60 | 88.2 Ų | 88.2 | 41% | 0.405 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.1 | 10.4 | -176.4 | 71.1 | 0 | 0 | 0 | 0 | 115.3 | Q93 H104 H109 | C91-Q93 PolarHBondContact O-N 3.29Å; C91-H104 PolarHBondContact SG-CE1 3.29Å; C91-H104 PolarHBondContact SG-NE2 3.32Å; C91-H109 PolarHBondContact SG-NE2 3.29Å; C91-H109 VanDerWaalsContact SG-NE2 3.42Å |
| 92 | G | 78.4 | Confident | 81.5 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 51% | 0.505 | 43% | 0.431 | S | S | . | . | | | trans | 71 | -10.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | C88 | C88-G92 VanDerWaalsContact O-CA 3.25Å; C88-G92 WeakPolarHBondContact O-CA 3.49Å; C88-G92 PolarHBondContact O-N 3.28Å |
| 93 | Q | 81.2 | Confident | 82.8 | Confident | 115 Ų | 115 | 87.9 Ų | 87.9 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | | | trans | -58.1 | 138.8 | -173.3 | -79.1 | -67.6 | -5.3 | 0 | 0 | 113.6 | K87 C88 C91 Y95 | K87-Q93 CarbonylContact C-O 3.54Å; K87-Q93 VanDerWaalsContact CA-O 3.29Å; K87-Q93 WeakPolarHBondContact CA-O 3.23Å; C88-Q93 PolarHBondContact N-O 3.08Å; C91-Q93 PolarHBondContact O-N 3.29Å; Q93-Y95 HydrophobicContact CB-CE2 3.75Å; Q93-Y95 WeakPolarHBondContact CB-OH 3.26Å; Q93-Y95 WeakPolarHBondContact O-CD2 3.24Å; Q93-Y95 VanDerWaalsContact O-CE2 3.24Å; Q93-Y95 WeakPolarHBondContact O-CE2 3.22Å |
| 94 | G | 83.9 | Confident | 84.1 | Confident | 16 Ų | 16 | 81.1 Ų | 81.1 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 138.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 95 | Y | 84.5 | Confident | 84.8 | Confident | 48 Ų | 48 | 78.7 Ų | 78.7 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.7 | 178.7 | -58.9 | -81.7 | 0 | 0 | 0 | 111.4 | F86 C88 Q93 R97 C100 M101 H104 | F86-Y95 WeakPolarHBondContact CB-O 3.45Å; F86-Y95 PolarHBondContact N-O 3.21Å; F86-Y95 PolarHBondContact O-N 2.96Å; C88-Y95 HydrophobicContact CB-CE2 4.17Å; Q93-Y95 HydrophobicContact CB-CE2 3.75Å; Q93-Y95 WeakPolarHBondContact CB-OH 3.26Å; Q93-Y95 WeakPolarHBondContact O-CD2 3.24Å; Q93-Y95 VanDerWaalsContact O-CE2 3.24Å; Q93-Y95 WeakPolarHBondContact O-CE2 3.22Å; Y95-R97 VanDerWaalsContact C-N 3.28Å; Y95-R97 PolarHBondContact O-N 2.86Å; Y95-C100 HydrophobicContact CD1-CB 3.99Å; Y95-C100 HydrophobicContact CG-CB 4.49Å; Y95-M101 HydrophobicContact CD2-CB 3.62Å; Y95-M101 HydrophobicContact CD2-CG 3.82Å; Y95-M101 HydrophobicContact CE2-CB 4.43Å; Y95-M101 HydrophobicContact CE2-CG 4.38Å; Y95-M101 HydrophobicContact CG-CB 3.88Å; Y95-H104 HydrophobicContact CE1-CB 4.16Å; Y95-H104 HydrophobicContact CE2-CB 4.39Å; Y95-H104 AromaticContact CE2-CD2 3.46Å; Y95-H104 VanDerWaalsContact CE2-CD2 3.46Å; Y95-H104 WeakPolarHBondContact CE2-CD2 3.42Å; Y95-H104 AromaticContact CE2-CG 3.99Å; Y95-H104 AromaticContact CZ-CD2 3.54Å; Y95-H104 AromaticContact CZ-CG 3.58Å; Y95-H104 PolarHBondContact OH-CD2 2.92Å; Y95-H104 VanDerWaalsContact OH-CD2 3.26Å; Y95-H104 PolarHBondContact OH-ND1 2.83Å |
| 96 | M | 78.1 | Confident | 85.4 | Confident | 53 Ų | 53 | 78.8 Ų | 78.8 | 26% | 0.261 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -74.7 | -14.8 | 176 | -69.1 | -50.7 | -75 | 0 | 0 | 114.3 | Q79 H80 K83 Y84 | Q79-M96 WeakPolarHBondContact O-CE 3.44Å; H80-M96 HydrophobicContact CB-CG 4.03Å; H80-M96 WeakPolarHBondContact ND1-CG 3.44Å; K83-M96 WeakPolarHBondContact O-CE 3.37Å; Y84-M96 HydrophobicContact CD1-CG 3.92Å; Y84-M96 HydrophobicContact CD1-SD 3.61Å; Y84-M96 HydrophobicContact CE1-CG 4Å; Y84-M96 HydrophobicContact CE1-SD 4.11Å; Y84-M96 HydrophobicContact CG-SD 4.45Å |
| 97 | R | 82.5 | Confident | 85.5 | Confident | 121 Ų | 121 | 84.3 Ų | 84.3 | 46% | 0.457 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -140.9 | 134.2 | -178.3 | -60.9 | -176.7 | -175.9 | 143.9 | -0.8 | 111.1 | C63 F86 Y95 R99 C100 M101 | C63-R97 PolarHBondContact O-NH1 3.05Å; C63-R97 PolarHBondContact SG-NH2 2.96Å; F86-R97 VanDerWaalsContact CD2-C 3.43Å; Y95-R97 VanDerWaalsContact C-N 3.28Å; Y95-R97 PolarHBondContact O-N 2.86Å; R97-R99 PolarHBondContact O-N 2.89Å; R97-R99 VanDerWaalsContact O-N 3.12Å; R97-C100 WeakPolarHBondContact O-CB 3.21Å; R97-C100 PolarHBondContact O-N 2.84Å; R97-M101 PolarHBondContact O-N 2.85Å |
| 98 | K | 84.3 | Confident | 85.3 | Confident | 126 Ų | 126 | 82.3 Ų | 82.3 | 55% | 0.548 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -50.1 | -38.2 | 176.2 | -169.5 | 175.3 | -179.8 | 177.8 | 0 | 112.8 | F86 C100 M101 L102 | F86-K98 HydrophobicContact CD1-CB 3.84Å; F86-K98 HydrophobicContact CD1-CG 4.34Å; F86-K98 HydrophobicContact CD2-CB 4.48Å; F86-K98 HydrophobicContact CE1-CB 3.84Å; F86-K98 HydrophobicContact CE1-CG 4.5Å; F86-K98 HydrophobicContact CE2-CB 4.47Å; F86-K98 HydrophobicContact CG-CB 4.18Å; F86-K98 HydrophobicContact CZ-CB 4.16Å; K98-C100 VanDerWaalsContact C-N 3.32Å; K98-C100 PolarHBondContact O-N 2.87Å; K98-M101 HydrophobicContact CG-CE 4.44Å; K98-M101 PolarHBondContact O-N 3.12Å; K98-L102 HydrophobicContact CG-CD1 4.03Å; K98-L102 HydrophobicContact CG-CG 4.32Å; K98-L102 WeakPolarHBondContact O-CB 3.35Å; K98-L102 VanDerWaalsContact O-CG 3.29Å; K98-L102 WeakPolarHBondContact O-CG 3.21Å; K98-L102 PolarHBondContact O-N 3.39Å |
| 99 | R | 86 | Confident | 85 | Confident | 191 Ų | 191 | 83.7 Ų | 83.7 | 72% | 0.721 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.9 | -32.6 | 176.4 | -173.8 | -178 | -74.4 | 174.3 | -3.1 | 113.4 | R97 K103 | R97-R99 PolarHBondContact O-N 2.89Å; R97-R99 VanDerWaalsContact O-N 3.12Å; R99-K103 WeakPolarHBondContact O-CB 3.21Å; R99-K103 WeakPolarHBondContact O-CG 3.4Å; R99-K103 PolarHBondContact O-N 2.87Å |
| 100 | C | 83.1 | Confident | 84.5 | Confident | 45 Ų | 45 | 78 Ų | 78 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -75.8 | -42.5 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | Y95 R97 K98 K103 H104 | Y95-C100 HydrophobicContact CD1-CB 3.99Å; Y95-C100 HydrophobicContact CG-CB 4.49Å; R97-C100 WeakPolarHBondContact O-CB 3.21Å; R97-C100 PolarHBondContact O-N 2.84Å; K98-C100 VanDerWaalsContact C-N 3.32Å; K98-C100 PolarHBondContact O-N 2.87Å; C100-K103 PolarHBondContact O-N 3.22Å; C100-H104 WeakPolarHBondContact O-CB 2.79Å; C100-H104 PolarHBondContact O-N 2.86Å |
| 101 | M | 93.5 | Very high | 83.4 | Confident | 27 Ų | 27 | 81.3 Ų | 81.3 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 172.2 | -175.2 | -161.1 | 80.5 | 0 | 0 | 111.7 | F86 C88 Y95 R97 K98 H104 I105 | F86-M101 HydrophobicContact CB-CB 4.28Å; F86-M101 HydrophobicContact CB-SD 3.95Å; C88-M101 HydrophobicContact CB-CG 4.43Å; Y95-M101 HydrophobicContact CD2-CB 3.62Å; Y95-M101 HydrophobicContact CD2-CG 3.82Å; Y95-M101 HydrophobicContact CE2-CB 4.43Å; Y95-M101 HydrophobicContact CE2-CG 4.38Å; Y95-M101 HydrophobicContact CG-CB 3.88Å; R97-M101 PolarHBondContact O-N 2.85Å; K98-M101 HydrophobicContact CG-CE 4.44Å; K98-M101 PolarHBondContact O-N 3.12Å; M101-H104 WeakPolarHBondContact O-CB 3.17Å; M101-H104 PolarHBondContact O-N 2.85Å; M101-H104 VanDerWaalsContact O-N 3.14Å; M101-I105 HydrophobicContact CE-CD1 4.03Å; M101-I105 HydrophobicContact CG-CD1 4.16Å; M101-I105 WeakPolarHBondContact O-CG1 3.45Å; M101-I105 PolarHBondContact O-N 2.88Å |
| 102 | L | 90.4 | Very high | 81.7 | Confident | 72 Ų | 72 | 81.8 Ų | 81.8 | 38% | 0.377 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.5 | -52.2 | 177 | -71.8 | 171.5 | 0 | 0 | 0 | 111 | K98 H104 I105 D106 | K98-L102 HydrophobicContact CG-CD1 4.03Å; K98-L102 HydrophobicContact CG-CG 4.32Å; K98-L102 WeakPolarHBondContact O-CB 3.35Å; K98-L102 VanDerWaalsContact O-CG 3.29Å; K98-L102 WeakPolarHBondContact O-CG 3.21Å; K98-L102 PolarHBondContact O-N 3.39Å; L102-H104 PolarHBondContact O-N 3.03Å; L102-I105 CarbonylContact O-C 3.58Å; L102-I105 WeakPolarHBondContact O-CA 3.4Å; L102-I105 WeakPolarHBondContact O-CB 3.45Å; L102-I105 PolarHBondContact O-N 3.47Å; L102-D106 VanDerWaalsContact C-OD2 3.31Å; L102-D106 WeakPolarHBondContact O-CB 3.24Å; L102-D106 PolarHBondContact O-N 3.21Å; L102-D106 VanDerWaalsContact O-OD2 3.12Å |
| 103 | K | 87.6 | Confident | 80.3 | Confident | 117 Ų | 117 | 85.4 Ų | 85.4 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.2 | -24.6 | 175.6 | -80 | -173.7 | 173.9 | -168.4 | 0 | 114.5 | R99 C100 R107 | R99-K103 WeakPolarHBondContact O-CB 3.21Å; R99-K103 WeakPolarHBondContact O-CG 3.4Å; R99-K103 PolarHBondContact O-N 2.87Å; C100-K103 PolarHBondContact O-N 3.22Å; K103-R107 WeakPolarHBondContact O-CB 3.4Å; K103-R107 WeakPolarHBondContact O-CD 3.39Å; K103-R107 WeakPolarHBondContact O-CG 3.36Å |
| 104 | H | 87.9 | Confident | 78.2 | Confident | 20 Ų | 20 | 86.1 Ų | 86.1 | 9% | 0.093 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -78.5 | -43.5 | 173.8 | 146.5 | 72.5 | 0 | 0 | 0 | 111.2 | C88 C91 Y95 C100 M101 L102 R107 L108 H109 | C88-H104 VanDerWaalsContact CB-NE2 3.26Å; C88-H104 WeakPolarHBondContact CB-NE2 3.37Å; C88-H104 PolarHBondContact SG-NE2 3.25Å; C91-H104 PolarHBondContact SG-CE1 3.29Å; C91-H104 PolarHBondContact SG-NE2 3.32Å; Y95-H104 HydrophobicContact CE1-CB 4.16Å; Y95-H104 HydrophobicContact CE2-CB 4.39Å; Y95-H104 AromaticContact CE2-CD2 3.46Å; Y95-H104 VanDerWaalsContact CE2-CD2 3.46Å; Y95-H104 WeakPolarHBondContact CE2-CD2 3.42Å; Y95-H104 AromaticContact CE2-CG 3.99Å; Y95-H104 AromaticContact CZ-CD2 3.54Å; Y95-H104 AromaticContact CZ-CG 3.58Å; Y95-H104 PolarHBondContact OH-CD2 2.92Å; Y95-H104 VanDerWaalsContact OH-CD2 3.26Å; Y95-H104 PolarHBondContact OH-ND1 2.83Å; C100-H104 WeakPolarHBondContact O-CB 2.79Å; C100-H104 PolarHBondContact O-N 2.86Å; M101-H104 WeakPolarHBondContact O-CB 3.17Å; M101-H104 PolarHBondContact O-N 2.85Å; M101-H104 VanDerWaalsContact O-N 3.14Å; L102-H104 PolarHBondContact O-N 3.03Å; H104-R107 PolarHBondContact O-N 2.82Å; H104-L108 PolarHBondContact O-N 3.37Å; H104-H109 AromaticContact CE1-CD2 3.68Å; H104-H109 AromaticContact CE1-NE2 3.23Å; H104-H109 PolarHBondContact CE1-NE2 2.93Å; H104-H109 AromaticContact NE2-CD2 3.59Å; H104-H109 AromaticContact NE2-NE2 3.37Å; H104-H109 PolarHBondContact NE2-NE2 2.9Å |
| 105 | I | 91.9 | Very high | 76 | Confident | 24 Ų | 24 | 93.9 Ų | 93.9 | 12% | 0.123 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58.3 | -51.9 | 171 | -65.8 | 167.3 | 0 | 0 | 0 | 109.7 | M101 L102 R107 L108 H109 S110 | M101-I105 HydrophobicContact CE-CD1 4.03Å; M101-I105 HydrophobicContact CG-CD1 4.16Å; M101-I105 WeakPolarHBondContact O-CG1 3.45Å; M101-I105 PolarHBondContact O-N 2.88Å; L102-I105 CarbonylContact O-C 3.58Å; L102-I105 WeakPolarHBondContact O-CA 3.4Å; L102-I105 WeakPolarHBondContact O-CB 3.45Å; L102-I105 PolarHBondContact O-N 3.47Å; I105-R107 PolarHBondContact O-N 3.5Å; I105-L108 PolarHBondContact O-N 3.44Å; I105-H109 HydrophobicContact CG2-CB 4.19Å; I105-H109 CarbonylContact O-C 3.28Å; I105-H109 VanDerWaalsContact O-C 3.28Å; I105-H109 WeakPolarHBondContact O-CA 3.38Å; I105-H109 PolarHBondContact O-N 2.88Å; I105-S110 PolarHBondContact O-N 3.19Å |
| 106 | D | 89.1 | Confident | 73.8 | Confident | 91 Ų | 91 | 97.9 Ų | 97.9 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.5 | -13 | 178.4 | -54.6 | -27.4 | 0 | 0 | 0 | 114.4 | L102 S110 | L102-D106 VanDerWaalsContact C-OD2 3.31Å; L102-D106 WeakPolarHBondContact O-CB 3.24Å; L102-D106 PolarHBondContact O-N 3.21Å; L102-D106 VanDerWaalsContact O-OD2 3.12Å; D106-S110 WeakPolarHBondContact O-CB 3.4Å; D106-S110 PolarHBondContact O-OG 2.98Å |
| 107 | R | 84.8 | Confident | 72.1 | Confident | 191 Ų | 191 | 101 Ų | 101 | 72% | 0.721 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -116.5 | -32.4 | -176.7 | -73.2 | 176.9 | 176.6 | -163.8 | -8.7 | 114.9 | K103 H104 I105 | K103-R107 WeakPolarHBondContact O-CB 3.4Å; K103-R107 WeakPolarHBondContact O-CD 3.39Å; K103-R107 WeakPolarHBondContact O-CG 3.36Å; H104-R107 PolarHBondContact O-N 2.82Å; I105-R107 PolarHBondContact O-N 3.5Å |
| 108 | L | 80.4 | Confident | 69.8 | Low | 96 Ų | 96 | 99.1 Ų | 99.1 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -117.9 | -14 | -174.7 | -55.5 | -173.4 | 0 | 0 | 0 | 113.2 | H104 I105 | H104-L108 PolarHBondContact O-N 3.37Å; I105-L108 PolarHBondContact O-N 3.44Å |
| 109 | H | 83.6 | Confident | 67.7 | Low | 33 Ų | 33 | 103 Ų | 103 | 15% | 0.153 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | 2.3 | -177.1 | -52.8 | -53.5 | 0 | 0 | 0 | 112.9 | H90 C91 H104 I105 N111 S112 | H90-H109 HydrophobicContact CB-CB 4.24Å; H90-H109 AromaticContact CG-CG 3.84Å; C91-H109 PolarHBondContact SG-NE2 3.29Å; C91-H109 VanDerWaalsContact SG-NE2 3.42Å; H104-H109 AromaticContact CE1-CD2 3.68Å; H104-H109 AromaticContact CE1-NE2 3.23Å; H104-H109 PolarHBondContact CE1-NE2 2.93Å; H104-H109 AromaticContact NE2-CD2 3.59Å; H104-H109 AromaticContact NE2-NE2 3.37Å; H104-H109 PolarHBondContact NE2-NE2 2.9Å; I105-H109 HydrophobicContact CG2-CB 4.19Å; I105-H109 CarbonylContact O-C 3.28Å; I105-H109 VanDerWaalsContact O-C 3.28Å; I105-H109 WeakPolarHBondContact O-CA 3.38Å; I105-H109 PolarHBondContact O-N 2.88Å; H109-N111 PolarHBondContact O-N 3.25Å; H109-N111 VanDerWaalsContact O-N 3.17Å; H109-S112 PolarHBondContact O-N 3.44Å; H109-S112 PolarHBondContact O-OG 3.15Å; H109-S112 VanDerWaalsContact O-OG 3.07Å |
| 110 | S | 76.4 | Confident | 65 | Low | 45 Ų | 45 | 99.8 Ų | 99.8 | 32% | 0.315 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -61.5 | -22.1 | 177.2 | 37.6 | 0 | 0 | 0 | 0 | 113.6 | I105 D106 S112 | I105-S110 PolarHBondContact O-N 3.19Å; D106-S110 WeakPolarHBondContact O-CB 3.4Å; D106-S110 PolarHBondContact O-OG 2.98Å; S110-S112 PolarHBondContact O-N 3.01Å |
| 111 | N | 58.7 | Low | 62.4 | Low | 167 Ų | 167 | 100.8 Ų | 100.8 | 89% | 0.893 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -73.3 | -4 | 175.4 | -61.7 | -1.7 | 0 | 0 | 0 | 113.2 | H109 | H109-N111 PolarHBondContact O-N 3.25Å; H109-N111 VanDerWaalsContact O-N 3.17Å |
| 112 | S | 50 | Low | 59.4 | Low | 71 Ų | 71 | 107.9 Ų | 107.9 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -126.2 | 52.7 | 177.4 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | H109 S110 | H109-S112 PolarHBondContact O-N 3.44Å; H109-S112 PolarHBondContact O-OG 3.15Å; H109-S112 VanDerWaalsContact O-OG 3.07Å; S110-S112 PolarHBondContact O-N 3.01Å |
| 113 | I | 47.3 | Very low | 56.5 | Low | 124 Ų | 124 | 111.2 Ų | 111.2 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | | | trans | -107.3 | 71.3 | 168.6 | -49.9 | -177.6 | 0 | 0 | 0 | 110.8 | | |
| 114 | T | 38.3 | Very low | 53.9 | Low | 131 Ų | 131 | 115.3 Ų | 115.3 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | | | trans | -144 | 82.5 | 157.9 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 115 | Q | 37.4 | Very low | 51.1 | Low | 179 Ų | 179 | 118.9 Ų | 118.9 | 84% | 0.836 | 67% | 0.67 | S | S | * | * | | | trans | -172.8 | 124.2 | 131.2 | -105.6 | 170.8 | 62.7 | 0 | 0 | 111.8 | | |
| 116 | V | 39.1 | Very low | 49.1 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | | | trans | -91 | 138.8 | 150.7 | 173.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 117 | P | 41 | Very low | 47.2 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | | | trans | -121.4 | 146.9 | 138.5 | 34.5 | -29.2 | 0 | 0 | 0 | 111 | | |
| 118 | A | 35.6 | Very low | 44.6 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | | | trans | -114.9 | 138.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 119 | K | 39.8 | Very low | 42.2 | Very low | 209 Ų | 209 | 121.7 Ų | 121.7 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | | | trans | 54.3 | 111.9 | 153.9 | -61.8 | 178.8 | 178.9 | 179.3 | 0 | 119.7 | | |
| 120 | S | 28.8 | Very low | 39.7 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | | -135.5 | 141.9 | 119.8 | -160 | 0 | 0 | 0 | 0 | 105.7 | | |
| 121 | G | 28.9 | Very low | 37.9 | Very low | 66 Ų | 66 | 129.3 Ų | 129.3 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | | | | 89.8 | 116.2 | 54.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 122 | M | 31.3 | Very low | 36.8 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | cis | -143.3 | 156.2 | 13.8 | -64.6 | 157.8 | 57.3 | 0 | 0 | 111.9 | | |
| 123 | T | 29.3 | Very low | 36 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | | | trans | -128.6 | 117 | 161.8 | 31.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 124 | K | 31.4 | Very low | 35.3 | Very low | 202 Ų | 202 | 128.5 Ų | 128.5 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | trans | -153.3 | 105.2 | 168.6 | -83.6 | -161.5 | 176.1 | -175.3 | 0 | 112 | | |
| 125 | A | 30.1 | Very low | 35.1 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | 177.1 | 161.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 126 | P | 49.8 | Very low | 34.8 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | cis | -111.4 | -144.8 | -7.8 | 44 | -28.8 | 0 | 0 | 0 | 109 | | |
| 127 | P | 50.2 | Low | 34.3 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | cis | -135.5 | -177.4 | 36.8 | 36.3 | -13.4 | 0 | 0 | 0 | 117 | | |
| 128 | V | 28.9 | Very low | 34.8 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | | | trans | 79.3 | 153.2 | 167.7 | -161.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 129 | A | 30.4 | Very low | 34.5 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | | | trans | -156.4 | -177.9 | -163.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 130 | V | 31.3 | Very low | 34.3 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | 149.4 | 132.1 | 136.5 | 163 | 0 | 0 | 0 | 0 | 112.8 | | |
| 131 | S | 37.7 | Very low | 34.3 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | 67.3 | 154.3 | 160.5 | -73.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 132 | S | 36.4 | Very low | 34.5 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | cis | -168.3 | 165.8 | -19.8 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 133 | A | 33 | Very low | 34.4 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 87.7 | 147.3 | 145.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 134 | L | 32.8 | Very low | 34.5 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | 66.6 | 152.8 | 165.5 | -57.6 | 172.2 | 0 | 0 | 0 | 118.7 | | |
| 135 | R | 33.5 | Very low | 34.6 | Very low | 218 Ų | 218 | 125.8 Ų | 125.8 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | | | cis | -170.2 | 162.8 | -48.7 | -121.8 | -169.1 | -122.1 | -114.3 | 4.1 | 108 | | |
| 136 | S | 32 | Very low | 35.3 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | 85.7 | 147.4 | 162.5 | -51.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 137 | A | 28.8 | Very low | 35 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -147.7 | -165.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 138 | P | 50.1 | Low | 35 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | cis | -127.7 | -173.8 | -16.9 | 42.3 | -27.4 | 0 | 0 | 0 | 112.2 | | |
| 139 | T | 30.4 | Very low | 35.9 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | | -178.3 | 174.2 | 126.3 | 25.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 140 | A | 34.6 | Very low | 36.1 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -126.9 | 165.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 141 | D | 29.9 | Very low | 36.3 | Very low | 157 Ų | 157 | 132.7 Ų | 132.7 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | | -158 | -176.1 | 125 | -136.9 | -37.8 | 0 | 0 | 0 | 111.8 | | |
| 142 | S | 32.3 | Very low | 35.8 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -144.3 | 174 | -173.1 | -73.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 143 | L | 30.2 | Very low | 35.2 | Very low | 153 Ų | 153 | 135 Ų | 135 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | | | trans | 104.3 | 113.2 | 155.1 | -55.2 | -177.8 | 0 | 0 | 0 | 120.8 | | |
| 144 | L | 30.3 | Very low | 34.9 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | 88.7 | 160.7 | 130.5 | -65 | 170.1 | 0 | 0 | 0 | 123.3 | | |
| 145 | L | 35.1 | Very low | 34.4 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -95.2 | 172.4 | -167.7 | -100.6 | 74.1 | 0 | 0 | 0 | 112.1 | | |
| 146 | P | 43.5 | Very low | 33.9 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | cis | -152.7 | -177 | 49 | 37.9 | -12.5 | 0 | 0 | 0 | 119.4 | | |
| 147 | P | 43.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | trans | -103.8 | -163.7 | 178.3 | 43.8 | -37.5 | 0 | 0 | 0 | 112.5 | | |
| 148 | P | 51 | Low | 33.7 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | cis | -115.5 | -101.9 | 0 | 23.7 | 3.2 | 0 | 0 | 0 | 115.3 | | |
| 149 | P | 46.2 | Very low | 32.6 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | cis | -115.6 | -149.7 | 7.1 | 45.1 | -31.9 | 0 | 0 | 0 | 114.5 | | |
| 150 | R | 34.7 | Very low | 33 | Very low | 232 Ų | 232 | 136.2 Ų | 136.2 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | | | trans | -152.5 | 159.2 | 169 | -64.4 | -173.7 | -175.3 | -167.3 | 2.4 | 111.3 | | |
| 151 | P | 36.3 | Very low | 32.7 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | trans | -88.7 | 173.3 | 164.6 | 35.2 | -32.9 | 0 | 0 | 0 | 113.8 | | |
| 152 | V | 26.8 | Very low | 32.5 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | | | trans | -140.4 | 147.7 | -159.8 | 173.9 | 0 | 0 | 0 | 0 | 112.8 | R154 | V152-R154 HydrophobicContact CG1-CG 4.43Š|
| 153 | V | 24.3 | Very low | 32.9 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | | | trans | -137.7 | 154.2 | 157.5 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 154 | R | 25.5 | Very low | 32.6 | Very low | 218 Ų | 218 | 132.8 Ų | 132.8 | 82% | 0.823 | 80% | 0.798 | S | S | * | * | | | trans | -120 | 137.1 | -167.5 | -72.7 | 178.4 | 171.9 | 170.1 | -3.7 | 115.1 | V152 | V152-R154 HydrophobicContact CG1-CG 4.43Š|
| 155 | V | 22.2 | Very low | 32.5 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | | 37.9 | 125.9 | 125.6 | -171.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 156 | A | 23.5 | Very low | 32.1 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -158.7 | 149.6 | 138.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 157 | V | 27.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | trans | -148.2 | 136.5 | 174.1 | 175.3 | 0 | 0 | 0 | 0 | 109 | | |
| 158 | P | 29.5 | Very low | 30.5 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -143.8 | 146.8 | 134.2 | 35.3 | -19.8 | 0 | 0 | 0 | 115.5 | | |
| 159 | T | 25.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -99.4 | -175.4 | 156.1 | 44.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 160 | P | 40.7 | Very low | 28.3 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | cis | -126 | -178.7 | -19.5 | 37.1 | -21.1 | 0 | 0 | 0 | 113 | | |
| 161 | S | 26.4 | Very low | 28 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -171.4 | 152.7 | 138.7 | 28.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 162 | A | 26.9 | Very low | 27.4 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -134.9 | -178.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 163 | P | 39.4 | Very low | 27.6 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | cis | -146.7 | -161.2 | 15.5 | 40 | -16.4 | 0 | 0 | 0 | 115.8 | | |
| 164 | A | 25.6 | Very low | 27.8 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | 93.4 | 112.1 | 141.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 165 | A | 27.3 | Very low | 27.8 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | | | | 90.7 | 112 | 118.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 166 | K | 27.4 | Very low | 28 | Very low | 193 Ų | 193 | 129 Ų | 129 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | | 75.2 | 114.3 | 123.5 | -70.7 | -177.5 | 178.2 | 179.3 | 0 | 122.1 | | |
| 167 | L | 25.1 | Very low | 28.1 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | | 85.8 | 134.1 | 117 | -164.2 | 71.6 | 0 | 0 | 0 | 120 | | |
| 168 | G | 27.6 | Very low | 27.9 | Very low | 65 Ų | 65 | 131.1 Ų | 131.1 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | | | trans | 113.3 | 102.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 169 | K | 27.8 | Very low | 27.9 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | | 74.7 | 132.1 | 53 | -73.9 | -164.8 | 173.7 | -176.3 | 0 | 115.7 | | |
| 170 | T | 24.6 | Very low | 27.9 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | 74.1 | 117.3 | 154.6 | 41.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 171 | L | 27.6 | Very low | 27.3 | Very low | 144 Ų | 144 | 130 Ų | 130 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | 78.8 | 132.7 | 141.4 | -92.7 | 67.2 | 0 | 0 | 0 | 122.5 | | |
| 172 | D | 24.4 | Very low | 27.4 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 48.6 | 114.6 | 139.8 | -54.1 | -12.2 | 0 | 0 | 0 | 121.7 | | |
| 173 | T | 30.6 | Very low | 27.7 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | | | | -163.9 | 157.3 | 109.8 | 11.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 174 | N | 27.3 | Very low | 27.1 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -88.8 | 130.5 | 168 | -67.3 | -89.6 | 0 | 0 | 0 | 109.5 | | |
| 175 | L | 26.7 | Very low | 27.2 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -155.3 | 170.6 | 141.4 | -153 | 45.8 | 0 | 0 | 0 | 112.6 | | |
| 176 | T | 25.7 | Very low | 27.4 | Very low | 103 Ų | 103 | 148 Ų | 148 | 63% | 0.632 | 81% | 0.805 | S | S | * | * | | | trans | -96.2 | 160.5 | -165.9 | 53.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 177 | N | 25.6 | Very low | 27.4 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | 87 | 145.5 | 143.3 | -71.1 | -16.1 | 0 | 0 | 0 | 121.6 | | |
| 178 | T | 24.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | 77.8 | 133.9 | 147.3 | 39.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 179 | T | 27.9 | Very low | 27.5 | Very low | 122 Ų | 122 | 148 Ų | 148 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | 100.3 | 113.5 | 151.5 | -33 | 0 | 0 | 0 | 0 | 118.6 | | |
| 180 | N | 27 | Very low | 27.4 | Very low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | | | trans | -21.6 | 146.8 | 158.8 | -40.7 | -28.4 | 0 | 0 | 0 | 117.3 | | |
| 181 | G | 28.2 | Very low | 27.5 | Very low | 66 Ų | 66 | 143.9 Ų | 143.9 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | | | trans | 157.6 | 113.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 182 | N | 27.2 | Very low | 27.5 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | | | trans | 69.9 | 155.9 | 147.7 | -61.1 | -12.4 | 0 | 0 | 0 | 121.1 | | |
| 183 | T | 33.2 | Very low | 27.7 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | | | trans | -110.6 | 129.1 | -173.7 | -53.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 184 | E | 26.9 | Very low | 27.6 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | trans | -149.7 | 180 | 156.1 | -132.5 | 168.8 | -148.2 | 0 | 0 | 113.2 | | |
| 185 | R | 29 | Very low | 27.5 | Very low | 239 Ų | 239 | 142.8 Ų | 142.8 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 157.4 | -153.8 | -74.5 | 176.5 | 168.4 | 163.6 | -4.4 | 115.4 | | |
| 186 | L | 29.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 146 | 173.1 | -66.9 | 158.6 | 0 | 0 | 0 | 114.1 | | |
| 187 | P | 28.1 | Very low | 27.6 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 135.4 | 135.6 | 33.7 | -28 | 0 | 0 | 0 | 110.7 | | |
| 188 | H | 27.2 | Very low | 27.5 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 133.2 | 167.4 | -76.8 | -115.9 | 0 | 0 | 0 | 109.9 | | |
| 189 | L | 28.7 | Very low | 27.3 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | | | | 171.1 | 143.9 | 116.9 | -91.1 | 160.8 | 0 | 0 | 0 | 112.9 | | |
| 190 | N | 25.6 | Very low | 27.3 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | 51.8 | 112.7 | 153.4 | -58.4 | -14.5 | 0 | 0 | 0 | 120.3 | | |
| 191 | G | 25.9 | Very low | 27.2 | Very low | 78 Ų | 78 | 147.7 Ų | 147.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | 169.1 | 96.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 192 | L | 27.9 | Very low | 27 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | | | trans | 51 | 107.2 | 156.1 | -157.6 | 67.8 | 0 | 0 | 0 | 119.3 | Q194 | L192-Q194 PolarHBondContact O-N 3.37Š|
| 193 | I | 28.2 | Very low | 26.9 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127.6 | 167.3 | -62.3 | 166.1 | 0 | 0 | 0 | 110 | | |
| 194 | Q | 28.9 | Very low | 26.9 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 117.9 | 164.3 | -77.7 | -72.3 | -7 | 0 | 0 | 109.7 | L192 | L192-Q194 PolarHBondContact O-N 3.37Š|
| 195 | P | 25 | Very low | 27.5 | Very low | 90 Ų | 90 | 144 Ų | 144 | 58% | 0.584 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 163.3 | 175.7 | 30.6 | -33.9 | 0 | 0 | 0 | 112 | | |
| 196 | N | 30.7 | Very low | 27.7 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 71.2 | 34.3 | 168.8 | -53.8 | -32.3 | 0 | 0 | 0 | 118.4 | | |
| 197 | R | 24.8 | Very low | 28.3 | Very low | 240 Ų | 240 | 134.3 Ų | 134.3 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | | | trans | -125.2 | 130.9 | 154.9 | -154.9 | 172.2 | -171.4 | 174.6 | 2.6 | 111.1 | L199 | R197-L199 PolarHBondContact O-N 3.06Š|
| 198 | A | 22 | Very low | 28.9 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | | | trans | -78.8 | 110 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T200 | A198-T200 PolarHBondContact O-N 3.45Š|
| 199 | L | 20.8 | Very low | 29.8 | Very low | 156 Ų | 156 | 132 Ų | 132 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | | | trans | -75.8 | 114.1 | 166.6 | -75.9 | 166.5 | 0 | 0 | 0 | 109.9 | R197 V201 | R197-L199 PolarHBondContact O-N 3.06Å; L199-V201 PolarHBondContact O-N 2.99Å |
| 200 | T | 28.1 | Very low | 30.5 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 87% | 0.871 | 72% | 0.717 | S | S | * | * | | | trans | -82.6 | 102.8 | 164.6 | 45.3 | 0 | 0 | 0 | 0 | 109.2 | A198 | A198-T200 PolarHBondContact O-N 3.45Š|
| 201 | V | 23.9 | Very low | 31.2 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | | | trans | -115.2 | 126.8 | 166.7 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | L199 | L199-V201 PolarHBondContact O-N 2.99Š|
| 202 | S | 25.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -69 | 131.5 | -179.3 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 203 | L | 25.2 | Very low | 33.5 | Very low | 84 Ų | 84 | 119.1 Ų | 119.1 | 44% | 0.44 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -74.1 | 145.5 | 160.8 | -77 | 158 | 0 | 0 | 0 | 108.7 | E205 S701 | L203-E205 PolarHBondContact O-N 2.96Å; L203-S701 WeakPolarHBondContact CD1-O 3.37Å |
| 204 | P | 32.1 | Very low | 34.7 | Very low | 95 Ų | 95 | 116.2 Ų | 116.2 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 129.4 | 169 | 28.3 | -33.1 | 0 | 0 | 0 | 109.7 | E206 | P204-E206 VanDerWaalsContact C-N 3.31Å; P204-E206 PolarHBondContact O-N 2.83Å |
| 205 | E | 39.7 | Very low | 36.3 | Very low | 200 Ų | 200 | 111.7 Ų | 111.7 | 94% | 0.935 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -71.9 | -22.2 | -173.7 | -69.5 | -175.9 | 108.2 | 0 | 0 | 113.9 | L203 | L203-E205 PolarHBondContact O-N 2.96Š|
| 206 | E | 34.5 | Very low | 38.1 | Very low | 122 Ų | 122 | 111.2 Ų | 111.2 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | | | trans | -128.2 | 135.2 | 175.3 | -66 | -156.7 | 133.5 | 0 | 0 | 112.7 | P204 K800 | P204-E206 VanDerWaalsContact C-N 3.31Å; P204-E206 PolarHBondContact O-N 2.83Å; E206-K800 IonicContact OE1-NZ 3.5Å; E206-K800 PolarHBondContact OE1-NZ 3.36Å |
| 207 | V | 41.2 | Very low | 39.8 | Very low | 60 Ų | 60 | 107.8 Ų | 107.8 | 36% | 0.364 | 61% | 0.614 | S | S | . | * | | | trans | -111.6 | 102.7 | 168 | 172.9 | 0 | 0 | 0 | 0 | 108.1 | I209 L698 I700 | V207-I209 PolarHBondContact O-N 3.49Å; V207-L698 HydrophobicContact CG1-CD1 3.75Å; V207-L698 HydrophobicContact CG2-CD2 4.42Å; V207-I700 HydrophobicContact CG2-CD1 4.18Å |
| 208 | N | 40.4 | Very low | 41.8 | Very low | 136 Ų | 136 | 99.8 Ų | 99.8 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | | | trans | -80.5 | 109.3 | -179.8 | -82.7 | -63.7 | 0 | 0 | 0 | 111.1 | | |
| 209 | I | 46.7 | Very low | 44 | Very low | 93 Ų | 93 | 98.6 Ų | 98.6 | 48% | 0.477 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -85 | 124.2 | 174 | -62.4 | 161.1 | 0 | 0 | 0 | 108.4 | V207 C213 V215 L233 | V207-I209 PolarHBondContact O-N 3.49Å; I209-C213 HydrophobicContact CG2-CB 3.88Å; I209-V215 HydrophobicContact CD1-CG2 3.76Å; I209-V215 HydrophobicContact CG1-CG2 4.15Å; I209-V215 HydrophobicContact CG2-CG2 4.16Å; I209-L233 HydrophobicContact CG2-CD2 3.95Å |
| 210 | P | 43.7 | Very low | 46.2 | Very low | 79 Ų | 79 | 94.4 Ų | 94.4 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 145.6 | 178.5 | -23.1 | 33.7 | 0 | 0 | 0 | 113 | G212 C213 | P210-G212 PolarHBondContact O-N 2.87Å; P210-C213 WeakPolarHBondContact O-CB 3.47Å; P210-C213 PolarHBondContact O-N 3.46Å |
| 211 | A | 40.8 | Very low | 47.8 | Very low | 112 Ų | 112 | 92.3 Ų | 92.3 | 93% | 0.926 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 129.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 212 | G | 50.7 | Low | 49.5 | Very low | 35 Ų | 35 | 91 Ų | 91 | 36% | 0.361 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 5.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P210 Q236 | P210-G212 PolarHBondContact O-N 2.87Å; G212-Q236 VanDerWaalsContact O-CB 3.24Å; G212-Q236 WeakPolarHBondContact O-CB 3.41Å; G212-Q236 VanDerWaalsContact O-CG 3.23Å; G212-Q236 WeakPolarHBondContact O-CG 3.25Å; G212-Q236 PolarHBondContact O-N 2.84Å |
| 213 | C | 50.2 | Low | 51 | Low | 35 Ų | 35 | 88 Ų | 88 | 24% | 0.236 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.8 | 167.8 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | I209 P210 L233 I234 | I209-C213 HydrophobicContact CG2-CB 3.88Å; P210-C213 WeakPolarHBondContact O-CB 3.47Å; P210-C213 PolarHBondContact O-N 3.46Å; C213-L233 HydrophobicContact CB-CD2 3.94Å; C213-I234 CarbonylContact C-O 3.52Å; C213-I234 WeakPolarHBondContact CA-O 3.43Å |
| 214 | L | 54.4 | Low | 52.2 | Low | 98 Ų | 98 | 91.7 Ų | 91.7 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 155 | 162.1 | -64.3 | 175.6 | 0 | 0 | 0 | 109.3 | I234 Q236 | L214-I234 HydrophobicContact CB-CB 4.42Å; L214-I234 PolarHBondContact N-O 3.37Å; L214-I234 PolarHBondContact O-N 3.43Å; L214-Q236 HydrophobicContact CD1-CG 4.47Å; L214-Q236 HydrophobicContact CG-CG 4.25Å |
| 215 | V | 62.7 | Low | 53.6 | Low | 63 Ų | 63 | 90.6 Ų | 90.6 | 38% | 0.382 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.1 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | I209 L231 R232 L233 | I209-V215 HydrophobicContact CD1-CG2 3.76Å; I209-V215 HydrophobicContact CG1-CG2 4.15Å; I209-V215 HydrophobicContact CG2-CG2 4.16Å; V215-L231 HydrophobicContact CG1-CB 3.92Å; V215-L231 HydrophobicContact CG1-CD1 4.2Å; V215-L231 HydrophobicContact CG1-CD2 4.04Å; V215-L231 HydrophobicContact CG1-CG 4.27Å; V215-R232 WeakPolarHBondContact CA-O 3.48Å; V215-L233 HydrophobicContact CG2-CD2 3.7Å; V215-L233 HydrophobicContact CG2-CG 4.29Å |
| 216 | E | 61.6 | Low | 53.7 | Low | 79 Ų | 79 | 82.3 Ų | 82.3 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.9 | 177 | -179 | -176.3 | -132.4 | 0 | 0 | 109.7 | V218 L231 R232 I234 | E216-V218 PolarHBondContact O-N 2.68Å; E216-L231 CarbonylContact O-C 3.58Å; E216-L231 WeakPolarHBondContact O-CA 3.31Å; E216-R232 HydrophobicContact CB-CB 4.47Å; E216-R232 PolarHBondContact N-O 2.88Å; E216-R232 PolarHBondContact O-N 3.16Å; E216-R232 IonicContact OE1-NH2 3.56Å; E216-R232 IonicContact OE2-CZ 3.46Å; E216-R232 IonicContact OE2-NE 3.81Å; E216-R232 PolarHBondContact OE2-NE 3.23Å; E216-R232 IonicContact OE2-NH2 2.81Å; E216-R232 PolarHBondContact OE2-NH2 2.72Å; E216-I234 HydrophobicContact CB-CD1 3.98Å |
| 217 | L | 67.5 | Low | 54.8 | Low | 97 Ų | 97 | 82 Ų | 82 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 103.9 | 173.9 | 177.6 | 60.3 | 0 | 0 | 0 | 109.1 | V220 L229 L231 | L217-V220 HydrophobicContact CD1-CG2 3.96Å; L217-V220 HydrophobicContact CD2-CG2 3.75Å; L217-V220 HydrophobicContact CG-CG2 4.06Å; L217-L229 HydrophobicContact CD1-CB 4.13Å; L217-L229 HydrophobicContact CD1-CD2 4.15Å; L217-L231 HydrophobicContact CB-CD2 4.25Å; L217-L231 HydrophobicContact CD1-CD2 3.68Å |
| 218 | V | 67.4 | Low | 55.8 | Low | 72 Ų | 72 | 82.2 Ų | 82.2 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -39.6 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | E216 K230 R232 | E216-V218 PolarHBondContact O-N 2.68Å; V218-K230 PolarHBondContact N-O 2.9Å; V218-R232 HydrophobicContact CG2-CB 3.5Å; V218-R232 VanDerWaalsContact CG2-CB 3.5Å |
| 219 | E | 66.2 | Low | 56.7 | Low | 70 Ų | 70 | 78.1 Ų | 78.1 | 33% | 0.327 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 146.1 | -172.2 | -146.8 | 174.3 | -175 | 0 | 0 | 111.4 | K221 K230 | E219-K221 HydrophobicContact CG-CG 4.44Å; E219-K221 WeakPolarHBondContact OE1-CE 3.11Å; E219-K221 IonicContact OE1-NZ 2.66Å; E219-K221 PolarHBondContact OE1-NZ 2.94Å; E219-K221 WeakPolarHBondContact OE2-CE 3.47Å; E219-K221 IonicContact OE2-NZ 2.87Å; E219-K221 PolarHBondContact OE2-NZ 3.24Å; E219-K230 HydrophobicContact CB-CB 3.72Å; E219-K230 HydrophobicContact CB-CD 4.04Å; E219-K230 HydrophobicContact CB-CG 4.48Å; E219-K230 PolarHBondContact N-O 3.02Å; E219-K230 PolarHBondContact O-N 3.39Å; E219-K230 WeakPolarHBondContact OE2-CD 3.43Å; E219-K230 IonicContact OE2-NZ 3.2Å |
| 220 | V | 67 | Low | 57.4 | Low | 68 Ų | 68 | 77.2 Ų | 77.2 | 41% | 0.412 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 106.1 | 172.3 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | L217 K227 E228 L229 | L217-V220 HydrophobicContact CD1-CG2 3.96Å; L217-V220 HydrophobicContact CD2-CG2 3.75Å; L217-V220 HydrophobicContact CG-CG2 4.06Å; V220-K227 HydrophobicContact CG1-CD 4.22Å; V220-E228 WeakPolarHBondContact CA-O 3.32Å; V220-L229 HydrophobicContact CB-CD2 4.39Å; V220-L229 HydrophobicContact CG1-CD2 4Å; V220-L229 HydrophobicContact CG2-CD2 3.82Å |
| 221 | K | 63.6 | Low | 58.2 | Low | 99 Ų | 99 | 75.6 Ų | 75.6 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 148.2 | 173.8 | -59.1 | -163.8 | -174.5 | -163.6 | 0 | 110.1 | E219 V223 K227 E228 | E219-K221 HydrophobicContact CG-CG 4.44Å; E219-K221 WeakPolarHBondContact OE1-CE 3.11Å; E219-K221 IonicContact OE1-NZ 2.66Å; E219-K221 PolarHBondContact OE1-NZ 2.94Å; E219-K221 WeakPolarHBondContact OE2-CE 3.47Å; E219-K221 IonicContact OE2-NZ 2.87Å; E219-K221 PolarHBondContact OE2-NZ 3.24Å; K221-V223 HydrophobicContact CB-CG2 4.02Å; K221-K227 WeakPolarHBondContact O-CA 3.31Å; K221-E228 HydrophobicContact CB-CB 4.48Å; K221-E228 PolarHBondContact N-O 3.3Å; K221-E228 PolarHBondContact O-N 3.39Å |
| 222 | T | 58.3 | Low | 59.2 | Low | 98 Ų | 98 | 76.4 Ų | 76.4 | 60% | 0.601 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 94.2 | 168.5 | -56.2 | 0 | 0 | 0 | 0 | 107.6 | T226 | T222-T226 CarbonylContact C-O 3.53Å; T222-T226 WeakPolarHBondContact CA-O 3.19Å |
| 223 | V | 56.8 | Low | 59.7 | Low | 53 Ų | 53 | 78.4 Ų | 78.4 | 32% | 0.321 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.3 | 180 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | K221 G225 T226 E228 | K221-V223 HydrophobicContact CB-CG2 4.02Å; V223-G225 PolarHBondContact O-N 3.08Å; V223-G225 VanDerWaalsContact O-N 3.08Å; V223-T226 PolarHBondContact N-O 3.25Å; V223-T226 PolarHBondContact O-N 2.9Å; V223-T226 VanDerWaalsContact O-O 3.06Å; V223-T226 PolarHBondContact O-OG1 3.27Å; V223-E228 HydrophobicContact CG2-CG 4.46Å; V223-E228 WeakPolarHBondContact CG2-OE2 3.39Å |
| 224 | N | 50.6 | Low | 60.5 | Low | 162 Ų | 162 | 79.2 Ų | 79.2 | 87% | 0.866 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 36.7 | 178.4 | -59.4 | -23.1 | 0 | 0 | 0 | 114.3 | T226 | N224-T226 PolarHBondContact O-N 2.79Š|
| 225 | G | 61.1 | Low | 60.4 | Low | 72 Ų | 72 | 77 Ų | 77 | 74% | 0.742 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | -6.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V223 | V223-G225 PolarHBondContact O-N 3.08Å; V223-G225 VanDerWaalsContact O-N 3.08Å |
| 226 | T | 43.3 | Very low | 60 | Low | 26 Ų | 26 | 79.6 Ų | 79.6 | 16% | 0.16 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 145.3 | 169 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | T222 V223 N224 L702 K703 | T222-T226 CarbonylContact C-O 3.53Å; T222-T226 WeakPolarHBondContact CA-O 3.19Å; V223-T226 PolarHBondContact N-O 3.25Å; V223-T226 PolarHBondContact O-N 2.9Å; V223-T226 VanDerWaalsContact O-O 3.06Å; V223-T226 PolarHBondContact O-OG1 3.27Å; N224-T226 PolarHBondContact O-N 2.79Å; T226-L702 WeakPolarHBondContact CG2-O 3.47Å; T226-K703 HydrophobicContact CG2-CG 3.74Å |
| 227 | K | 56.3 | Low | 59.4 | Low | 115 Ų | 115 | 84.3 Ų | 84.3 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.4 | 169.8 | -71.1 | -167.2 | 176.3 | -170.9 | 0 | 109.6 | V220 K221 | V220-K227 HydrophobicContact CG1-CD 4.22Å; K221-K227 WeakPolarHBondContact O-CA 3.31Å |
| 228 | E | 61.6 | Low | 58.1 | Low | 65 Ų | 65 | 86.5 Ų | 86.5 | 30% | 0.304 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.1 | 168.9 | -63.3 | -177.5 | 158.5 | 0 | 0 | 108.4 | V220 K221 V223 | V220-E228 WeakPolarHBondContact CA-O 3.32Å; K221-E228 HydrophobicContact CB-CB 4.48Å; K221-E228 PolarHBondContact N-O 3.3Å; K221-E228 PolarHBondContact O-N 3.39Å; V223-E228 HydrophobicContact CG2-CG 4.46Å; V223-E228 WeakPolarHBondContact CG2-OE2 3.39Å |
| 229 | L | 61 | Low | 56.8 | Low | 50 Ų | 50 | 87.8 Ų | 87.8 | 26% | 0.262 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.1 | 179.3 | -56.3 | 177.8 | 0 | 0 | 0 | 109.3 | L217 V220 | L217-L229 HydrophobicContact CD1-CB 4.13Å; L217-L229 HydrophobicContact CD1-CD2 4.15Å; V220-L229 HydrophobicContact CB-CD2 4.39Å; V220-L229 HydrophobicContact CG1-CD2 4Å; V220-L229 HydrophobicContact CG2-CD2 3.82Å |
| 230 | K | 61.5 | Low | 55.5 | Low | 74 Ų | 74 | 92.9 Ų | 92.9 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 108.5 | 173.8 | -170.1 | 178.1 | -178.8 | 179.8 | 0 | 109.1 | V218 E219 F697 | V218-K230 PolarHBondContact N-O 2.9Å; E219-K230 HydrophobicContact CB-CB 3.72Å; E219-K230 HydrophobicContact CB-CD 4.04Å; E219-K230 HydrophobicContact CB-CG 4.48Å; E219-K230 PolarHBondContact N-O 3.02Å; E219-K230 PolarHBondContact O-N 3.39Å; E219-K230 WeakPolarHBondContact OE2-CD 3.43Å; E219-K230 IonicContact OE2-NZ 3.2Å; K230-F697 HydrophobicContact CD-CD1 4.46Å; K230-F697 HydrophobicContact CD-CE1 4.39Å; K230-F697 VanDerWaalsContact CE-CE1 3.48Å; K230-F697 HydrophobicContact CG-CD1 3.84Å; K230-F697 HydrophobicContact CG-CE1 4.13Å; K230-F697 HydrophobicContact CG-CG 4.47Å |
| 231 | L | 58.9 | Low | 54.2 | Low | 45 Ų | 45 | 93.3 Ų | 93.3 | 24% | 0.236 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.6 | -176.2 | -58.6 | 177.3 | 0 | 0 | 0 | 111 | V215 E216 L217 | V215-L231 HydrophobicContact CG1-CB 3.92Å; V215-L231 HydrophobicContact CG1-CD1 4.2Å; V215-L231 HydrophobicContact CG1-CD2 4.04Å; V215-L231 HydrophobicContact CG1-CG 4.27Å; E216-L231 CarbonylContact O-C 3.58Å; E216-L231 WeakPolarHBondContact O-CA 3.31Å; L217-L231 HydrophobicContact CB-CD2 4.25Å; L217-L231 HydrophobicContact CD1-CD2 3.68Å |
| 232 | R | 62.7 | Low | 53.2 | Low | 128 Ų | 128 | 93.3 Ų | 93.3 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.4 | 168.2 | 177.4 | 166 | 74.9 | 151 | 0 | 109.4 | V215 E216 V218 I234 | V215-R232 WeakPolarHBondContact CA-O 3.48Å; E216-R232 HydrophobicContact CB-CB 4.47Å; E216-R232 PolarHBondContact N-O 2.88Å; E216-R232 PolarHBondContact O-N 3.16Å; E216-R232 IonicContact OE1-NH2 3.56Å; E216-R232 IonicContact OE2-CZ 3.46Å; E216-R232 IonicContact OE2-NE 3.81Å; E216-R232 PolarHBondContact OE2-NE 3.23Å; E216-R232 IonicContact OE2-NH2 2.81Å; E216-R232 PolarHBondContact OE2-NH2 2.72Å; V218-R232 HydrophobicContact CG2-CB 3.5Å; V218-R232 VanDerWaalsContact CG2-CB 3.5Å; R232-I234 HydrophobicContact CG-CG1 4.25Å |
| 233 | L | 61.2 | Low | 52.2 | Low | 78 Ų | 78 | 95.4 Ų | 95.4 | 41% | 0.408 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.5 | 169.5 | -78.5 | 143.9 | 0 | 0 | 0 | 109.2 | I209 C213 V215 | I209-L233 HydrophobicContact CG2-CD2 3.95Å; C213-L233 HydrophobicContact CB-CD2 3.94Å; V215-L233 HydrophobicContact CG2-CD2 3.7Å; V215-L233 HydrophobicContact CG2-CG 4.29Å |
| 234 | I | 66.6 | Low | 51.3 | Low | 51 Ų | 51 | 101 Ų | 101 | 26% | 0.262 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117.2 | 179.3 | -56.1 | 174.9 | 0 | 0 | 0 | 107.6 | C213 L214 E216 R232 | C213-I234 CarbonylContact C-O 3.52Å; C213-I234 WeakPolarHBondContact CA-O 3.43Å; L214-I234 HydrophobicContact CB-CB 4.42Å; L214-I234 PolarHBondContact N-O 3.37Å; L214-I234 PolarHBondContact O-N 3.43Å; E216-I234 HydrophobicContact CB-CD1 3.98Å; R232-I234 HydrophobicContact CG-CG1 4.25Å |
| 235 | S | 52.1 | Low | 50.4 | Low | 53 Ų | 53 | 100 Ų | 100 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 135.4 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | Q237 | S235-Q237 PolarHBondContact O-N 2.8Å; S235-Q237 PolarHBondContact OG-N 3.47Å |
| 236 | Q | 54.2 | Low | 49.1 | Very low | 116 Ų | 116 | 102.7 Ų | 102.7 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -70.1 | -10.6 | 172.2 | -73.1 | 177.8 | -16 | 0 | 0 | 113.1 | G212 L214 E238 | G212-Q236 VanDerWaalsContact O-CB 3.24Å; G212-Q236 WeakPolarHBondContact O-CB 3.41Å; G212-Q236 VanDerWaalsContact O-CG 3.23Å; G212-Q236 WeakPolarHBondContact O-CG 3.25Å; G212-Q236 PolarHBondContact O-N 2.84Å; L214-Q236 HydrophobicContact CD1-CG 4.47Å; L214-Q236 HydrophobicContact CG-CG 4.25Å; Q236-E238 VanDerWaalsContact C-N 3.32Å; Q236-E238 PolarHBondContact O-N 2.84Å |
| 237 | Q | 48.8 | Very low | 48.5 | Very low | 178 Ų | 178 | 111.2 Ų | 111.2 | 83% | 0.832 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -79.2 | -3 | -170.3 | -163.2 | 162 | -3.8 | 0 | 0 | 115.3 | S235 | S235-Q237 PolarHBondContact O-N 2.8Å; S235-Q237 PolarHBondContact OG-N 3.47Å |
| 238 | E | 41.3 | Very low | 47.4 | Very low | 144 Ų | 144 | 111.6 Ų | 111.6 | 67% | 0.673 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -111 | 2.1 | -178 | -65.3 | -170.1 | 127.4 | 0 | 0 | 115.1 | Q236 S241 | Q236-E238 VanDerWaalsContact C-N 3.32Å; Q236-E238 PolarHBondContact O-N 2.84Å; E238-S241 PolarHBondContact O-OG 2.93Å; E238-S241 VanDerWaalsContact O-OG 3.08Å |
| 239 | N | 40.8 | Very low | 45.7 | Very low | 99 Ų | 99 | 113.2 Ų | 113.2 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.9 | 6.9 | -175.1 | -86.7 | -38.5 | 0 | 0 | 0 | 116.3 | | |
| 240 | E | 38.8 | Very low | 44 | Very low | 177 Ų | 177 | 117.6 Ų | 117.6 | 83% | 0.827 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -10.2 | 170 | -69 | -152 | 138.4 | 0 | 0 | 114.4 | | |
| 241 | S | 38.9 | Very low | 42.5 | Very low | 76 Ų | 76 | 121 Ų | 121 | 53% | 0.531 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94 | -37.2 | -178.7 | 54 | 0 | 0 | 0 | 0 | 113.6 | E238 | E238-S241 PolarHBondContact O-OG 2.93Å; E238-S241 VanDerWaalsContact O-OG 3.08Å |
| 242 | V | 41.5 | Very low | 41.1 | Very low | 99 Ų | 99 | 128 Ų | 128 | 60% | 0.6 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -79.3 | -30.4 | -168.5 | -176.3 | 0 | 0 | 0 | 0 | 113.6 | K244 | V242-K244 PolarHBondContact O-N 2.9Š|
| 243 | I | 38.4 | Very low | 39.4 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -78.3 | -3.2 | -173.9 | -61.1 | 177.7 | 0 | 0 | 0 | 113.2 | | |
| 244 | K | 38.2 | Very low | 38.6 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -90.2 | -17.6 | 177.3 | -75.2 | 175.3 | 179.3 | 164.2 | 0 | 114.6 | V242 T246 | V242-K244 PolarHBondContact O-N 2.9Å; K244-T246 PolarHBondContact O-N 3.09Å |
| 245 | N | 31.4 | Very low | 36.5 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -98.9 | 53.6 | -170.3 | -70.6 | -0.4 | 0 | 0 | 0 | 113.6 | | |
| 246 | T | 32.9 | Very low | 36.1 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -148.9 | 41 | 169.8 | -32.6 | 0 | 0 | 0 | 0 | 113.4 | K244 | K244-T246 PolarHBondContact O-N 3.09Š|
| 247 | K | 32.4 | Very low | 34.6 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -157.6 | 48.1 | 173.5 | -127.8 | 169.8 | -170.9 | 178.3 | 0 | 118.4 | | |
| 248 | S | 31.3 | Very low | 33.6 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -164.3 | 106.2 | 164 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 249 | A | 27.5 | Very low | 33.2 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | -158.2 | 54.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 250 | T | 24.9 | Very low | 32.4 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | | | trans | -160.2 | 96.1 | 158.3 | -23.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 251 | L | 29.7 | Very low | 31.6 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | | 95.1 | 100.4 | 53.4 | -174.2 | 131.8 | 0 | 0 | 0 | 112.6 | | |
| 252 | Q | 29.1 | Very low | 30.8 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -167 | 156.1 | 137.5 | -108.8 | 151.6 | 99 | 0 | 0 | 111.3 | | |
| 253 | D | 27.6 | Very low | 30 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -137 | 178.5 | -172.9 | -149.3 | 36.4 | 0 | 0 | 0 | 106 | | |
| 254 | P | 43.4 | Very low | 29.4 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -133.7 | -171.1 | 11.7 | 40.7 | -19.4 | 0 | 0 | 0 | 116.1 | | |
| 255 | G | 24.2 | Very low | 28.8 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | trans | -82.4 | -143.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 256 | P | 41.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | cis | -137 | -151.9 | 23.5 | 40.7 | -19.1 | 0 | 0 | 0 | 115.2 | | |
| 257 | E | 24.5 | Very low | 29.1 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | 106.3 | 150.6 | 161.1 | -54.6 | -147.7 | 157.3 | 0 | 0 | 121.6 | | |
| 258 | K | 26.7 | Very low | 28.8 | Very low | 197 Ų | 197 | 134.3 Ų | 134.3 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | trans | -161.8 | 154.2 | -176 | -107 | -177.2 | 179.1 | 178 | 0 | 104.8 | | |
| 259 | P | 33.1 | Very low | 28.6 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | | -155.7 | -166.8 | 53.2 | 43 | -21.4 | 0 | 0 | 0 | 116.2 | | |
| 260 | L | 23.1 | Very low | 28.6 | Very low | 148 Ų | 148 | 137 Ų | 137 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | 66.5 | 132.7 | 163.7 | -60.6 | 173.9 | 0 | 0 | 0 | 116.1 | | |
| 261 | S | 22.2 | Very low | 28.8 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | | 63.8 | 118.7 | 64.1 | -53.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 262 | S | 22.7 | Very low | 28.8 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | cis | -151.4 | -144.8 | -3 | 43.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 263 | T | 25.1 | Very low | 28.8 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | cis | -163.9 | -157 | 14.6 | -24.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 264 | L | 25.2 | Very low | 28.9 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | | | trans | 5.5 | 138.3 | 150 | -62.4 | 162.9 | 0 | 0 | 0 | 118.7 | | |
| 265 | H | 26.5 | Very low | 28.3 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | | | cis | -142.4 | 150 | 22.3 | -83.9 | -84.1 | 0 | 0 | 0 | 114.5 | | |
| 266 | H | 30.3 | Very low | 28.5 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | | | | -108.6 | 168 | 129.6 | -89.8 | 39.4 | 0 | 0 | 0 | 106.4 | | |
| 267 | P | 39.6 | Very low | 28 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | cis | -141.4 | -168.5 | 19.1 | 42.5 | -23 | 0 | 0 | 0 | 116.3 | | |
| 268 | N | 25.3 | Very low | 28.2 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | 85.1 | 128.2 | 142 | -75.2 | -10.4 | 0 | 0 | 0 | 123.6 | | |
| 269 | T | 27.7 | Very low | 28.5 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | | | | 96.7 | 137.5 | 129.7 | 40.4 | 0 | 0 | 0 | 0 | 124.8 | | |
| 270 | M | 27.4 | Very low | 28.3 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | | | trans | 65.7 | 69.9 | 153.1 | -59.6 | -48.4 | 178.1 | 0 | 0 | 122.7 | | |
| 271 | R | 29.4 | Very low | 28.7 | Very low | 243 Ų | 243 | 128.2 Ų | 128.2 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | | | | 21.1 | 107.8 | 108.3 | -170 | -166.5 | -152.8 | 168.5 | 7.9 | 119.8 | | |
| 272 | S | 29 | Very low | 29.2 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -160.7 | 132.7 | 149.5 | 30 | 0 | 0 | 0 | 0 | 108.8 | | |
| 273 | V | 30.2 | Very low | 29.7 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | | 62.1 | 122.7 | 80.4 | 176.4 | 0 | 0 | 0 | 0 | 112 | | |
| 274 | S | 30.1 | Very low | 30.2 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | cis | -164.6 | -163 | -7.4 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 275 | A | 29.8 | Very low | 30.6 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | | | trans | -64.1 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 276 | S | 28.7 | Very low | 30.9 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | cis | -170.4 | 171 | 28 | 71.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 277 | M | 31.7 | Very low | 31 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | | | trans | 68.9 | 165.9 | 158.6 | -60 | -69.2 | 95.7 | 0 | 0 | 116.2 | | |
| 278 | C | 28.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | cis | -141.4 | 170.9 | 23.8 | -69.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 279 | T | 32.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | | | trans | -39.5 | 167.6 | 159 | 52.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 280 | G | 29.1 | Very low | 31.3 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | | | cis | 138.9 | 107.4 | 4.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 281 | S | 32.9 | Very low | 31.7 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | 56.6 | 121 | 149.4 | -52.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 282 | R | 31.3 | Very low | 31.7 | Very low | 255 Ų | 255 | 130.9 Ų | 130.9 | 96% | 0.962 | 75% | 0.749 | S | S | * | * | | | trans | -155.9 | -176.9 | 139.6 | -123.9 | 177.2 | -176.5 | -172.1 | -0.3 | 114.9 | | |
| 283 | K | 33.6 | Very low | 31.7 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | -114.8 | 159.2 | -149.6 | -60.7 | 170.1 | 146.8 | -156.6 | 0 | 115.8 | | |
| 284 | Q | 35 | Very low | 31.5 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | 50.4 | 154.2 | 130.1 | -67.3 | 173.9 | -60.6 | 0 | 0 | 121.1 | | |
| 285 | S | 34.3 | Very low | 31.4 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | | | cis | -172.7 | -167.5 | -9.7 | 46.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 286 | E | 32.1 | Very low | 31.2 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | 87.2 | 155.8 | 165.1 | -56 | -166.2 | 172.2 | 0 | 0 | 119.1 | | |
| 287 | T | 33.8 | Very low | 32.5 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | | | cis | -142.7 | -135.6 | -34.3 | 38.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 288 | K | 36.2 | Very low | 33.1 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | | | trans | -162.7 | 143.8 | -149.7 | 171.9 | -167.5 | 173.7 | -170.4 | 0 | 117.4 | | |
| 289 | M | 30.8 | Very low | 33.2 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 44% | 0.438 | 75% | 0.754 | S | S | . | * | | | trans | -169.7 | 134.7 | 145.3 | -98.2 | 172.6 | -156.5 | 0 | 0 | 109.4 | | |
| 290 | M | 31.5 | Very low | 33 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 84% | 0.837 | 75% | 0.753 | S | S | * | * | | | | 66.5 | 142.6 | 76.4 | -80.6 | -179.9 | 147.8 | 0 | 0 | 116.8 | | |
| 291 | A | 35.6 | Very low | 33.9 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | cis | 179 | 147.8 | -26.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 292 | N | 30 | Very low | 33.6 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | trans | 176.3 | 149.3 | 141 | -106.5 | -12 | 0 | 0 | 0 | 117.2 | | |
| 293 | I | 27.5 | Very low | 33.3 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | | | trans | 55.7 | 139.9 | 150.9 | -56 | 161.3 | 0 | 0 | 0 | 118.9 | | |
| 294 | G | 27.3 | Very low | 33 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | cis | 151.1 | 159.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 295 | V | 26.9 | Very low | 32.5 | Very low | 140 Ų | 140 | 127 Ų | 127 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | | | trans | 89 | 143.9 | 168 | -169.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 296 | N | 26.6 | Very low | 32.2 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | | | trans | -133 | -165.7 | -173.8 | -62.1 | -63 | 0 | 0 | 0 | 110 | | |
| 297 | P | 56.4 | Low | 32.1 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | | | cis | -115.3 | -101.3 | -17.2 | 32.2 | -9.3 | 0 | 0 | 0 | 112.2 | | |
| 298 | P | 44.6 | Very low | 31.8 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | cis | -130.3 | 147.6 | -12.7 | 39.8 | -21.2 | 0 | 0 | 0 | 118.7 | | |
| 299 | N | 28.9 | Very low | 31.5 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | | | trans | 58.7 | 155.4 | 141.2 | -66.4 | -4.3 | 0 | 0 | 0 | 126.7 | | |
| 300 | N | 29.2 | Very low | 31.3 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | | | trans | -113 | -172.9 | 170.9 | -152.7 | 24.9 | 0 | 0 | 0 | 107 | | |
| 301 | P | 48.1 | Very low | 31.2 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 56% | 0.558 | 75% | 0.745 | S | S | * | * | | | cis | -138.1 | -157.3 | -3.6 | 40.4 | -17.9 | 0 | 0 | 0 | 114.5 | | |
| 302 | T | 25.2 | Very low | 30.8 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | trans | 68.3 | 155.9 | 154 | 38.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 303 | N | 25.2 | Very low | 30.8 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | cis | -163.7 | 163.9 | -24.5 | -134 | -10.3 | 0 | 0 | 0 | 111.7 | | |
| 304 | V | 27.2 | Very low | 31.2 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | trans | 68.8 | 118.7 | 143.2 | 165.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 305 | V | 25.5 | Very low | 31.4 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | 65.3 | 143.4 | 145.7 | 168.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 306 | T | 27.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | cis | -108.7 | 152.6 | 18.5 | 44.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 307 | K | 30.3 | Very low | 31.7 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | | 46.7 | 134.7 | 81.9 | -68.8 | -179.3 | -178.2 | 177.9 | 0 | 114.1 | | |
| 308 | E | 27.2 | Very low | 30.2 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | cis | -148 | -174.3 | 21.6 | -135.1 | -174.8 | 163.9 | 0 | 0 | 116 | | |
| 309 | K | 28.8 | Very low | 29.6 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | -17.5 | 155 | 170.2 | -66.5 | 153.4 | -177.4 | 157 | 0 | 118.1 | | |
| 310 | V | 28.4 | Very low | 29.4 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | cis | -142.1 | 149.1 | 46.7 | 172.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 311 | V | 28 | Very low | 29.5 | Very low | 111 Ų | 111 | 144 Ų | 144 | 67% | 0.673 | 76% | 0.756 | S | S | * | * | | | trans | -64.4 | 142.7 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 312 | L | 28.4 | Very low | 28.6 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | | | trans | -148 | 103.8 | 140.6 | -115 | 164.4 | 0 | 0 | 0 | 111 | | |
| 313 | K | 28.7 | Very low | 28.7 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -84.9 | 154.9 | 169.4 | -75.7 | -176.8 | 176.4 | 179.1 | 0 | 109.8 | | |
| 314 | R | 35.9 | Very low | 28.8 | Very low | 244 Ų | 244 | 149 Ų | 149 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | trans | -60.2 | 145.5 | 158 | -57.8 | 176 | -175.4 | 131.4 | 0.3 | 110 | | |
| 315 | P | 32.7 | Very low | 28.8 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | | | trans | -108.1 | 173.7 | 130 | 34.4 | -31.4 | 0 | 0 | 0 | 110.5 | | |
| 316 | S | 28.7 | Very low | 28.8 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -129.5 | 141 | -178.2 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 317 | M | 30.6 | Very low | 28.7 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | | | trans | 56.2 | 116.6 | 170.3 | -67.8 | -170 | 67.8 | 0 | 0 | 117.4 | | |
| 318 | E | 24.3 | Very low | 28.7 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -138.8 | 133.5 | 136.9 | -122.9 | 160.4 | -146.3 | 0 | 0 | 107.8 | I320 | E318-I320 HydrophobicContact CB-CG1 4.49Å; E318-I320 HydrophobicContact CG-CD1 4.33Å; E318-I320 HydrophobicContact CG-CG1 4.36Å |
| 319 | I | 33.1 | Very low | 29 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -102.7 | 110.7 | 165 | -64.7 | 175.1 | 0 | 0 | 0 | 104.9 | | |
| 320 | I | 23.9 | Very low | 29 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 60% | 0.6 | 78% | 0.776 | S | S | * | * | | | trans | -121.6 | 112.7 | 171.5 | -65.6 | 178.5 | 0 | 0 | 0 | 106.5 | E318 L322 | E318-I320 HydrophobicContact CB-CG1 4.49Å; E318-I320 HydrophobicContact CG-CD1 4.33Å; E318-I320 HydrophobicContact CG-CG1 4.36Å; I320-L322 HydrophobicContact CG2-CD1 3.94Å |
| 321 | N | 32.3 | Very low | 29.2 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | | | trans | -67.8 | 140.2 | 158.9 | -66.3 | -30.5 | 0 | 0 | 0 | 107.3 | | |
| 322 | L | 27.8 | Very low | 29.3 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -110.9 | 123.8 | 161.2 | -128.8 | 71.5 | 0 | 0 | 0 | 108.6 | I320 | I320-L322 HydrophobicContact CG2-CD1 3.94Š|
| 323 | E | 28.1 | Very low | 29.5 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | -79.6 | 167.7 | 173.4 | -63.5 | 169.2 | 101.5 | 0 | 0 | 111.1 | | |
| 324 | C | 27.4 | Very low | 29.9 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | | | trans | 161.5 | 132.9 | 152 | -91.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 325 | D | 26.4 | Very low | 29.6 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | cis | -159.4 | 167.6 | 2 | -86.1 | -40.7 | 0 | 0 | 0 | 107.6 | | |
| 326 | A | 27.1 | Very low | 29.4 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | -170.7 | 175.9 | -26.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 327 | V | 25.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | 67.3 | 108 | 163.6 | -167.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 328 | I | 28.5 | Very low | 29.3 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | | | trans | -120.9 | 131.8 | 144 | -63.1 | 175.3 | 0 | 0 | 0 | 107.8 | | |
| 329 | P | 35.4 | Very low | 30.3 | Very low | 94 Ų | 94 | 137 Ų | 137 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | | | trans | -99.6 | 123.3 | 171.1 | 33.7 | -26.6 | 0 | 0 | 0 | 113.4 | | |
| 330 | N | 28.8 | Very low | 30 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | 83.2 | 130.4 | 142.4 | -69.3 | -48.2 | 0 | 0 | 0 | 123.5 | | |
| 331 | K | 31.6 | Very low | 30.4 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | 80.5 | 119.5 | 149.3 | -67.4 | 164.9 | -176.1 | 178.6 | 0 | 117.8 | | |
| 332 | V | 29.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 142 Ų | 142 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | cis | 99.4 | 130 | 42.2 | 159 | 0 | 0 | 0 | 0 | 110.9 | | |
| 333 | S | 31.9 | Very low | 30.9 | Very low | 87 Ų | 87 | 138 Ų | 138 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | | | cis | -175 | 163.9 | -10.7 | -92.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 334 | K | 37.9 | Very low | 31.4 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | | | trans | 71.1 | 158.3 | 157.3 | -69.2 | 157.9 | -177.4 | 179.8 | 0 | 116 | | |
| 335 | T | 29.1 | Very low | 31.8 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | cis | -120.1 | -166.4 | 11.9 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 336 | I | 30.2 | Very low | 32.1 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | | | cis | -136.6 | -121.9 | 1.4 | -162.3 | 166.6 | 0 | 0 | 0 | 112.8 | | |
| 337 | L | 28.2 | Very low | 32.4 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | -148.1 | 171.5 | -163.1 | -84.9 | 168.4 | 0 | 0 | 0 | 115.7 | | |
| 338 | T | 28.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | trans | -86.6 | -159.4 | -172.1 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 339 | P | 43.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | cis | -149.3 | 167.1 | 5.1 | 43.4 | -21.4 | 0 | 0 | 0 | 122.4 | | |
| 340 | M | 27.7 | Very low | 32.7 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | 29.7 | 139.8 | 141.4 | -63.2 | -178.8 | 63 | 0 | 0 | 127.2 | | |
| 341 | R | 33.3 | Very low | 32.9 | Very low | 211 Ų | 211 | 142.4 Ų | 142.4 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | | 179.1 | 135.8 | 113.7 | -99.2 | -171.9 | 154.7 | 135.3 | 5.5 | 113.2 | | |
| 342 | E | 35.6 | Very low | 32.7 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 66% | 0.659 | 76% | 0.755 | S | S | * | * | | | | 68 | 141.9 | 86.3 | -66.9 | 179.6 | 162.6 | 0 | 0 | 116.6 | | |
| 343 | A | 34 | Very low | 32.5 | Very low | 79 Ų | 79 | 136 Ų | 136 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | | | cis | -172.1 | 167 | -16.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 344 | N | 39 | Very low | 33.2 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | trans | 65.6 | 157.3 | 160.5 | -60.6 | -26 | 0 | 0 | 0 | 119.2 | | |
| 345 | T | 35.7 | Very low | 32.8 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | | | cis | -167.7 | 176.9 | -14.3 | 24.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 346 | G | 32.3 | Very low | 32.9 | Very low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | cis | 160.3 | 171.8 | -1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 347 | I | 33 | Very low | 33 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | | | trans | 71.4 | 151.3 | 165.7 | -61.9 | 175.2 | 0 | 0 | 0 | 117.1 | | |
| 348 | R | 34.5 | Very low | 33 | Very low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | | | cis | -176.6 | 174.2 | -36.8 | -98.4 | 172.8 | -177.1 | 178.5 | 1.2 | 107.7 | | |
| 349 | V | 30.3 | Very low | 33 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | | | cis | -173.5 | 164.7 | -46.2 | 73 | 0 | 0 | 0 | 0 | 111.3 | | |
| 350 | T | 30.8 | Very low | 32.1 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 64% | 0.644 | 75% | 0.747 | S | S | * | * | | | trans | 70.1 | 160.1 | 160.9 | 56.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 351 | Q | 32.7 | Very low | 32 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | cis | -162.5 | 158.7 | -14.9 | -115.6 | 168.3 | 5.8 | 0 | 0 | 116.6 | | |
| 352 | A | 28.1 | Very low | 31.9 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | | | trans | 34.8 | 129 | 133.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 353 | A | 26.6 | Very low | 31.5 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | | 88.2 | -169.5 | 79.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 354 | P | 44.7 | Very low | 31.4 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | | | cis | -115.4 | 157.6 | -28.7 | 3.9 | 22.7 | 0 | 0 | 0 | 113.2 | | |
| 355 | V | 30 | Very low | 30.9 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | | 89.8 | 135.1 | 69.8 | 173.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 356 | N | 31.7 | Very low | 30.7 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | | | trans | 114.5 | 122.7 | 149.3 | -88.4 | -4 | 0 | 0 | 0 | 126.2 | | |
| 357 | H | 32.2 | Very low | 30.5 | Very low | 153 Ų | 153 | 124.7 Ų | 124.7 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | 65 | 116.4 | 130.9 | -66.9 | -30.7 | 0 | 0 | 0 | 128.2 | | |
| 358 | V | 28.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | | 86.6 | 121.7 | 116.8 | 175.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 359 | S | 27.5 | Very low | 30.1 | Very low | 104 Ų | 104 | 121 Ų | 121 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 83.3 | 164.6 | 146.2 | 77.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 360 | S | 26.4 | Very low | 30.8 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | 81.6 | 174.5 | 172.5 | 80.5 | 0 | 0 | 0 | 0 | 118 | | |
| 361 | S | 25.6 | Very low | 30.8 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -138.4 | 166 | -136.7 | 56.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 362 | S | 31.7 | Very low | 30.6 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | -53.5 | 152.7 | 177.2 | -175 | 0 | 0 | 0 | 0 | 115.3 | | |
| 363 | G | 26.2 | Very low | 30.6 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | | | trans | -168.2 | 74.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 364 | V | 30.9 | Very low | 30.6 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | | | trans | -135.3 | 126.9 | 158.4 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 365 | M | 29.9 | Very low | 29.8 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | -145.4 | 154.4 | 175.9 | -78.6 | -76 | 104.1 | 0 | 0 | 106.9 | | |
| 366 | S | 31.4 | Very low | 29.6 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | cis | -167.2 | 155.7 | -18.2 | -174.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 367 | G | 28 | Very low | 29.3 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -157.3 | 121.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 368 | R | 31.5 | Very low | 29.2 | Very low | 245 Ų | 245 | 130.3 Ų | 130.3 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | | | trans | -88.3 | 155.3 | -166.6 | -58.6 | 173.5 | 179.2 | -177.7 | -1.4 | 112.9 | | |
| 369 | G | 28.2 | Very low | 30.2 | Very low | 66 Ų | 66 | 129.2 Ų | 129.2 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | trans | -93.4 | 162.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 370 | P | 44.6 | Very low | 30.3 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -97 | 175.3 | 136.6 | -23.1 | 37.6 | 0 | 0 | 0 | 114.3 | | |
| 371 | I | 31.1 | Very low | 30.4 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -152.9 | 143.2 | -155.4 | -87.7 | 161.6 | 0 | 0 | 0 | 112.8 | | |
| 372 | R | 28.4 | Very low | 30.6 | Very low | 221 Ų | 221 | 130.4 Ų | 130.4 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | 74.5 | 164.7 | 167.1 | -68.3 | 165.2 | 177.7 | -121.5 | 0.6 | 118.7 | | |
| 373 | L | 27.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 129 Ų | 129 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | cis | -165.4 | 173 | -19.7 | -106.4 | 169.1 | 0 | 0 | 0 | 112.9 | | |
| 374 | N | 26.8 | Very low | 30.5 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | 70.1 | 108 | 149.8 | -73.5 | 2.6 | 0 | 0 | 0 | 123.7 | | |
| 375 | A | 27.2 | Very low | 30.4 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | | | | 37.9 | 136.7 | 111.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 376 | G | 25.5 | Very low | 30.2 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | -169.6 | 156.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 377 | L | 26.5 | Very low | 30 | Very low | 164 Ų | 164 | 129 Ų | 129 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | | | trans | -142.1 | 133.6 | -170.2 | -84.7 | 163.3 | 0 | 0 | 0 | 113.8 | | |
| 378 | H | 29.5 | Very low | 30.2 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | trans | 62.5 | 178.8 | 151.7 | -102.3 | -93.3 | 0 | 0 | 0 | 117.5 | | |
| 379 | P | 50.1 | Low | 30 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 62% | 0.623 | 76% | 0.759 | S | S | * | * | | | cis | -135.9 | -174.2 | -14.7 | 34.9 | -14.4 | 0 | 0 | 0 | 115.7 | | |
| 380 | V | 30.2 | Very low | 30.1 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | | | trans | 69.9 | 141.4 | 138.2 | 153.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 381 | T | 28.3 | Very low | 29.4 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | | | cis | -166.6 | 148.2 | -11.2 | 32.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 382 | V | 29.3 | Very low | 29.2 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | trans | 65.7 | 135.8 | 132.9 | 175.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 383 | A | 26.8 | Very low | 29.2 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | trans | 72.5 | 155.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 384 | A | 28.9 | Very low | 29.2 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | cis | -175 | 150.9 | -29.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 385 | K | 27.9 | Very low | 29.3 | Very low | 202 Ų | 202 | 132.6 Ų | 132.6 | 88% | 0.878 | 75% | 0.746 | S | S | * | * | | | trans | 63.9 | 162.4 | 154.7 | -71.6 | 178.6 | 178.5 | -178.5 | 0 | 115.9 | | |
| 386 | V | 26.8 | Very low | 29.3 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | | | cis | -154.1 | 172.9 | -2 | 105 | 0 | 0 | 0 | 0 | 111.6 | | |
| 387 | S | 27.5 | Very low | 29.3 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 56% | 0.559 | 74% | 0.739 | S | S | * | * | | | trans | 16 | 121.4 | 160.8 | -63.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 388 | Q | 31.1 | Very low | 29.2 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | | | | 73.6 | 117.3 | 87 | -66.2 | 164.9 | -70.1 | 0 | 0 | 117.1 | | |
| 389 | R | 28.2 | Very low | 29.2 | Very low | 225 Ų | 225 | 132 Ų | 132 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | | | trans | 36.3 | 111.9 | 130.6 | -55.1 | -178.6 | -174.6 | -178.4 | 0.5 | 119.1 | | |
| 390 | I | 30.2 | Very low | 28.1 | Very low | 173 Ų | 173 | 134 Ų | 134 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | | | | -127.8 | 156.7 | 123 | -66.7 | -171.8 | 0 | 0 | 0 | 107.4 | | |
| 391 | V | 29.7 | Very low | 28 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | | | trans | -120.9 | 134.4 | -178.3 | 172.3 | 0 | 0 | 0 | 0 | 105.3 | | |
| 392 | D | 27.1 | Very low | 27.9 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | | -172.5 | 177.7 | 82.7 | -134.5 | -36 | 0 | 0 | 0 | 114.9 | | |
| 393 | E | 27.3 | Very low | 28 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | | | trans | 29.6 | 129.4 | 147.9 | -74.8 | -114.1 | 100.8 | 0 | 0 | 119.8 | | |
| 394 | R | 29.4 | Very low | 28 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | | | cis | 166.4 | 164.2 | 28.1 | 178.8 | -178.9 | -165.6 | 117.5 | -0.2 | 109.8 | | |
| 395 | S | 28.8 | Very low | 27.9 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | | | trans | 69.4 | 114 | 159.7 | 42.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 396 | N | 26.1 | Very low | 29 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | | | | 72.9 | 93.9 | 128.7 | -58.9 | 6.6 | 0 | 0 | 0 | 121.8 | | |
| 397 | S | 24.7 | Very low | 30.2 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | | 12.6 | 124.2 | 122.2 | 59.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 398 | T | 25.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | | | | -171.5 | 124.1 | 118.7 | 23.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 399 | V | 29.1 | Very low | 30.6 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | | | | 87 | 120.8 | 81.2 | 164.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 400 | D | 26.7 | Very low | 30.7 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | trans | 76.2 | 160 | 152.9 | -106 | -40.1 | 0 | 0 | 0 | 124.8 | | |
| 401 | L | 28.9 | Very low | 30.8 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | 56.2 | 162.7 | 158.2 | -92.3 | 66.9 | 0 | 0 | 0 | 119.8 | | |
| 402 | S | 27 | Very low | 31.1 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 59% | 0.587 | 73% | 0.73 | S | S | * | * | | | | -169.8 | 162.4 | -54.7 | 64.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 403 | K | 29.6 | Very low | 31.7 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | trans | 50 | 107.3 | 149.2 | -69.9 | 174.7 | 178.2 | 174.7 | 0 | 120.1 | | |
| 404 | S | 27.5 | Very low | 32.2 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | | | | 94.8 | 164 | 109.3 | 78.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 405 | I | 27.4 | Very low | 32.5 | Very low | 153 Ų | 153 | 134 Ų | 134 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | 91.9 | 130.4 | 163.2 | -65.4 | 163.2 | 0 | 0 | 0 | 117 | | |
| 406 | P | 51.3 | Low | 32.9 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | trans | -107 | -109.2 | -178.5 | 34.6 | -16 | 0 | 0 | 0 | 113.2 | | |
| 407 | P | 51.9 | Low | 33.2 | Very low | 94 Ų | 94 | 134 Ų | 134 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | | | cis | -140.3 | 169.2 | 2.1 | 44.3 | -24.8 | 0 | 0 | 0 | 119.5 | | |
| 408 | R | 34.5 | Very low | 33.6 | Very low | 233 Ų | 233 | 136.2 Ų | 136.2 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | | | trans | 80.2 | 162.1 | 140.7 | -88.6 | 172.5 | 173.9 | 167.8 | -3.3 | 123.8 | | |
| 409 | R | 31.9 | Very low | 33.9 | Very low | 229 Ų | 229 | 134.8 Ų | 134.8 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | | | trans | 77.1 | 134.5 | 172.2 | -58.2 | -169.1 | -165.5 | -120.5 | 5.5 | 114.1 | | |
| 410 | L | 29.9 | Very low | 34.1 | Very low | 137 Ų | 137 | 134 Ų | 134 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | | | cis | -154.4 | 165.7 | -7 | -105.7 | 175.3 | 0 | 0 | 0 | 106.1 | D412 | L410-D412 WeakPolarHBondContact CD2-OD2 3.31Š|
| 411 | S | 33.2 | Very low | 34.4 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | | | cis | -147.5 | 164.6 | 4.9 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 412 | D | 34.7 | Very low | 35.7 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | | | | -9 | 143.6 | 126.1 | -44.3 | -96 | 0 | 0 | 0 | 115.2 | L410 | L410-D412 WeakPolarHBondContact CD2-OD2 3.31Š|
| 413 | T | 39.6 | Very low | 35.7 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 71% | 0.712 | 72% | 0.716 | S | S | * | * | | | cis | -161.2 | 173.5 | -2 | 16.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 414 | N | 38.8 | Very low | 35.7 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | cis | -136.6 | -156.6 | 1.7 | -137.1 | -10.3 | 0 | 0 | 0 | 108.3 | | |
| 415 | N | 35.8 | Very low | 35.8 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | | | cis | -150.3 | -177.2 | 16.4 | -151.3 | 79.7 | 0 | 0 | 0 | 111.6 | | |
| 416 | V | 36.9 | Very low | 35.7 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 45% | 0.448 | 72% | 0.72 | S | S | . | * | | | trans | -118.6 | 159.4 | 179.4 | 162.4 | 0 | 0 | 0 | 0 | 108.4 | E418 | V416-E418 HydrophobicContact CG1-CG 4.1Å; V416-E418 WeakPolarHBondContact CG1-OE2 3.39Å |
| 417 | Q | 33 | Very low | 34.5 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | | | cis | -88 | 167.2 | 1.5 | -77.1 | 81.9 | 12.7 | 0 | 0 | 115.1 | | |
| 418 | E | 33.2 | Very low | 33.4 | Very low | 146 Ų | 146 | 135 Ų | 135 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | | | cis | 88.5 | 150.4 | 14.4 | -61.3 | -163.3 | 118.3 | 0 | 0 | 116.8 | V416 | V416-E418 HydrophobicContact CG1-CG 4.1Å; V416-E418 WeakPolarHBondContact CG1-OE2 3.39Å |
| 419 | V | 31.7 | Very low | 33.1 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 62% | 0.624 | 72% | 0.717 | S | S | * | * | | | cis | -148.1 | 129.3 | -5.8 | 112.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 420 | S | 31.8 | Very low | 32.8 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | | | | 67 | 148 | 82 | -52 | 0 | 0 | 0 | 0 | 115.2 | | |
| 421 | A | 33 | Very low | 32.6 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | | | cis | -165.8 | -144.4 | -22.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 422 | P | 57.1 | Low | 32.2 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 75% | 0.747 | 72% | 0.72 | S | S | * | * | | | trans | -132.1 | -159.6 | -136.6 | 35.6 | -9.8 | 0 | 0 | 0 | 115.4 | | |
| 423 | V | 26.3 | Very low | 31.8 | Very low | 113 Ų | 113 | 134 Ų | 134 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | trans | 143.1 | 126.4 | 134.8 | 164.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 424 | K | 30.8 | Very low | 31.2 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | | | trans | 57.8 | 140.3 | 155.3 | -73.2 | 171.4 | -178.1 | 177 | 0 | 119.4 | | |
| 425 | L | 29.1 | Very low | 30.7 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | | | | 65 | 122.7 | 55.2 | -59.9 | 174.1 | 0 | 0 | 0 | 113.8 | | |
| 426 | G | 24.8 | Very low | 30.4 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | | | cis | 158.9 | 174.5 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 427 | A | 27.1 | Very low | 30.1 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | | | trans | 75.5 | 145 | 160.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 428 | R | 28.3 | Very low | 29.9 | Very low | 213 Ų | 213 | 131.6 Ų | 131.6 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | 66.8 | 158.3 | 157.9 | -61.7 | -176.8 | 116.4 | 172.8 | -11.1 | 117.9 | | |
| 429 | E | 27.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 132 Ų | 132 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | | | cis | -160.3 | 146.7 | -22.1 | -111.4 | 167.9 | -179.3 | 0 | 0 | 110.3 | | |
| 430 | V | 25.3 | Very low | 29.9 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | | | trans | 57.9 | 130.7 | 139.3 | 177 | 0 | 0 | 0 | 0 | 122.6 | | |
| 431 | R | 25.9 | Very low | 29.8 | Very low | 220 Ų | 220 | 135.4 Ų | 135.4 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | | | trans | 90.6 | 111.2 | 151 | -91.7 | -180 | 161.2 | 155.7 | -2.4 | 123.2 | | |
| 432 | L | 26.3 | Very low | 29.8 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | | 83.6 | 140.9 | 123.9 | -79.8 | 168.7 | 0 | 0 | 0 | 124 | | |
| 433 | K | 25.3 | Very low | 28.4 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | | | trans | 77.5 | 84 | 151.8 | -77 | -173.8 | 174.7 | -174 | 0 | 121.3 | | |
| 434 | S | 27.1 | Very low | 28.7 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | | 63.4 | 143.4 | 111 | 61.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 435 | N | 28.4 | Very low | 28.8 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | | | trans | 83.2 | 138.3 | 176.1 | -56 | -7.5 | 0 | 0 | 0 | 113.6 | | |
| 436 | S | 29.6 | Very low | 28.8 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | cis | -154.1 | 147.6 | 8.2 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 437 | A | 29.5 | Very low | 29 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | | | trans | 57.7 | 152.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 438 | S | 30.2 | Very low | 29.2 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | | | cis | -155 | 136.1 | -11.6 | 34.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 439 | K | 32.7 | Very low | 29.3 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | | | | 47.5 | 114.2 | 108.1 | -76.5 | -156.9 | 171.4 | -73.3 | 0 | 114.8 | | |
| 440 | E | 31.8 | Very low | 29.4 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | | | | 71.7 | 147.3 | 80 | -74.6 | 167.1 | -139.6 | 0 | 0 | 112.7 | | |
| 441 | D | 29.6 | Very low | 29.6 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | cis | -173.8 | -177.3 | -25 | -150.8 | -25.2 | 0 | 0 | 0 | 107.2 | | |
| 442 | I | 32.8 | Very low | 29.6 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | | | trans | 73.6 | 137.2 | 143.9 | -77.1 | 164.7 | 0 | 0 | 0 | 121.8 | | |
| 443 | D | 26.8 | Very low | 30.3 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | trans | 59.6 | 108.4 | 150.7 | -68.8 | -2.2 | 0 | 0 | 0 | 127.4 | | |
| 444 | V | 33.6 | Very low | 30.5 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | | 59.9 | 103.9 | 102 | 176.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 445 | V | 33.5 | Very low | 30.7 | Very low | 125 Ų | 125 | 127 Ų | 127 | 76% | 0.758 | 74% | 0.741 | S | S | * | * | | | trans | 82.8 | 138.5 | 135.5 | 168.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 446 | C | 29 | Very low | 30.7 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | | | trans | 71.1 | 142.4 | 168.5 | -77.4 | 0 | 0 | 0 | 0 | 118 | | |
| 447 | L | 29.5 | Very low | 30.5 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | cis | -158 | 148.2 | -14.7 | -161.2 | 78.5 | 0 | 0 | 0 | 111.1 | | |
| 448 | D | 29.8 | Very low | 30.4 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 65% | 0.647 | 73% | 0.731 | S | S | * | * | | | trans | 78.3 | 138.8 | 144.7 | -103.8 | 1.6 | 0 | 0 | 0 | 127 | | |
| 449 | Q | 31.6 | Very low | 30.2 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | | | trans | 79.9 | 99.2 | 142.5 | -71.5 | 176.8 | 65.3 | 0 | 0 | 125 | | |
| 450 | Q | 29.8 | Very low | 29.9 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | | | | 65.1 | 117.2 | 125.2 | -61.7 | -173.7 | 37.5 | 0 | 0 | 122.9 | | |
| 451 | S | 29.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | | | | -157.8 | 151.1 | 129 | -81.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 452 | T | 26 | Very low | 30.1 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | | | trans | -132 | -175.3 | 175.6 | 71.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 453 | P | 41.1 | Very low | 30.4 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | | | cis | -132.1 | -161.3 | 22.9 | 44.8 | -24.2 | 0 | 0 | 0 | 112.6 | | |
| 454 | A | 27.8 | Very low | 30.5 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | | | cis | -148.5 | 132.3 | 2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 455 | S | 31.7 | Very low | 30.1 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | | 71.5 | 131.9 | 91.4 | 106.9 | 0 | 0 | 0 | 0 | 115 | | |
| 456 | K | 28.1 | Very low | 29.6 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | | | cis | -149.5 | 175.9 | -0.4 | -78.8 | 124.8 | 179.1 | 168.1 | 0 | 107 | | |
| 457 | S | 25.2 | Very low | 29.5 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | cis | -161.5 | 144.5 | 20.8 | -152.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 458 | L | 28.1 | Very low | 29.3 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | 27.7 | 143.4 | 140.7 | -53.2 | 173.5 | 0 | 0 | 0 | 120.9 | | |
| 459 | R | 25.8 | Very low | 29.2 | Very low | 223 Ų | 223 | 140.5 Ų | 140.5 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | cis | -156.4 | 166.4 | 14 | -133.5 | 168.6 | -157.7 | -157.2 | 5.2 | 112.2 | | |
| 460 | S | 26.4 | Very low | 29.1 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | -89.1 | -178.7 | 177.2 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 461 | P | 37.9 | Very low | 29.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | | -148.1 | 175 | 61.7 | 42.3 | -22.7 | 0 | 0 | 0 | 117.5 | | |
| 462 | V | 29.2 | Very low | 29.4 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | trans | -91.6 | 138.9 | 152.5 | 174.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 463 | P | 38.3 | Very low | 29.6 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | | | | -146.3 | 170.3 | 128.5 | 39.7 | -26 | 0 | 0 | 0 | 114.5 | | |
| 464 | Q | 28.1 | Very low | 29.3 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -78.8 | 171.6 | 158.2 | -65.4 | 178.4 | -16.9 | 0 | 0 | 111.5 | | |
| 465 | A | 25.8 | Very low | 29.2 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | trans | 91.6 | 159 | 142 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 466 | I | 23.4 | Very low | 29 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | 76 | 96.6 | 163.2 | -53.3 | 172 | 0 | 0 | 0 | 117.9 | | |
| 467 | K | 26.4 | Very low | 29 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | | 52.7 | 153.8 | 109.8 | -139.1 | 172.8 | -171.8 | 175.1 | 0 | 120.3 | | |
| 468 | V | 26.1 | Very low | 29.2 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 75% | 0.745 | 74% | 0.743 | S | S | * | * | | | trans | 100.3 | 85.1 | 162.1 | -167.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 469 | R | 26.3 | Very low | 29.3 | Very low | 223 Ų | 223 | 133.1 Ų | 133.1 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | | | | 50.9 | 111.6 | 108.9 | -169 | -178.2 | -172.8 | 164.7 | 2.5 | 122.6 | | |
| 470 | S | 31.2 | Very low | 29.5 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | | | trans | 66.6 | 151 | 139.5 | -53.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 471 | P | 37.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | | | | -101.6 | 165 | 68.1 | -9.2 | 29.5 | 0 | 0 | 0 | 114 | | |
| 472 | A | 27.9 | Very low | 29.3 | Very low | 84 Ų | 84 | 128.9 Ų | 128.9 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | | | | 76.7 | 115.4 | 52 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 473 | V | 29.7 | Very low | 29.2 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 74% | 0.739 | 72% | 0.716 | S | S | * | * | | | cis | 81.5 | 115.6 | 50 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | V475 | V473-V475 HydrophobicContact CG1-CG2 4.1Š|
| 474 | P | 35.8 | Very low | 28.5 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | | | | -118.6 | 141.9 | 92.3 | -3.3 | 25.3 | 0 | 0 | 0 | 114.2 | | |
| 475 | V | 24.7 | Very low | 28.8 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 65% | 0.648 | 71% | 0.71 | S | S | * | * | | | | 80.1 | 94.1 | 71.1 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | V473 | V473-V475 HydrophobicContact CG1-CG2 4.1Š|
| 476 | N | 27.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | | | | 77 | 135.1 | 99 | -65.6 | -5.3 | 0 | 0 | 0 | 113.9 | | |
| 477 | K | 28.7 | Very low | 29.8 | Very low | 164 Ų | 164 | 132 Ų | 132 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | | | | -162.5 | 157.8 | 70.5 | -91.3 | -175.9 | 155 | -114.2 | 0 | 114.8 | | |
| 478 | D | 28.1 | Very low | 29.7 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 42% | 0.422 | 71% | 0.713 | S | S | . | * | | | | 26.9 | 140.5 | 126.8 | -24.9 | -24.4 | 0 | 0 | 0 | 117.4 | | |
| 479 | N | 31.8 | Very low | 30 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | | | cis | -173.7 | 178.2 | 3.3 | -128.7 | -12.8 | 0 | 0 | 0 | 108.2 | | |
| 480 | L | 29.4 | Very low | 29.9 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 60% | 0.597 | 71% | 0.709 | S | S | * | * | | | cis | -160.1 | 174.3 | -3.9 | -175.4 | 53.3 | 0 | 0 | 0 | 108.3 | | |
| 481 | T | 30.3 | Very low | 29.6 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | | | trans | 76 | 152.8 | 165.1 | 75 | 0 | 0 | 0 | 0 | 119.1 | | |
| 482 | N | 29.8 | Very low | 29.1 | Very low | 133 Ų | 133 | 130 Ų | 130 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | | | | -160.8 | 150.3 | -55.4 | -131.1 | -17.4 | 0 | 0 | 0 | 112.6 | | |
| 483 | Q | 27.4 | Very low | 29.3 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | trans | 70.8 | 153 | 158.4 | -64.3 | -167.6 | 34.8 | 0 | 0 | 121.9 | | |
| 484 | T | 23.9 | Very low | 29.7 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | | | trans | -135 | 162.5 | 178.7 | -49.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 485 | F | 33.6 | Very low | 29.1 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 82% | 0.82 | 72% | 0.716 | S | S | * | * | | | trans | 75.4 | 161.4 | 176.9 | -52.5 | -63 | 0 | 0 | 0 | 113 | | |
| 486 | P | 37.2 | Very low | 29.3 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 75% | 0.747 | 72% | 0.72 | S | S | * | * | | | cis | -136.7 | 167.7 | 21.9 | 43.6 | -26.4 | 0 | 0 | 0 | 119.2 | | |
| 487 | I | 33.5 | Very low | 29.3 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | | | trans | -80.9 | 121.1 | 145.5 | -61.4 | 168 | 0 | 0 | 0 | 107.1 | | |
| 488 | K | 24.6 | Very low | 29.2 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | | | trans | -173.6 | 143.9 | 143 | -108.4 | 162.9 | -174 | 179.6 | 0 | 113.9 | | |
| 489 | S | 31.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | -79.3 | 152.3 | 163.2 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 490 | S | 25.1 | Very low | 29.4 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | -165 | 122.6 | 154.8 | -165.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 491 | L | 24.8 | Very low | 29.2 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | 158.5 | 116.9 | 132.9 | -113.3 | 56.7 | 0 | 0 | 0 | 107.4 | | |
| 492 | M | 26.9 | Very low | 28.9 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | cis | 83.5 | 95.7 | 44.2 | -69.6 | -68.2 | 179.5 | 0 | 0 | 115.9 | | |
| 493 | K | 31.5 | Very low | 28.6 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | | 50.3 | 162.6 | 123.9 | -82.2 | -171.7 | 173.3 | -174 | 0 | 121.5 | | |
| 494 | P | 38.6 | Very low | 28.6 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | cis | -95.5 | -144.3 | 2.2 | 43.5 | -38.8 | 0 | 0 | 0 | 111.4 | | |
| 495 | S | 23.6 | Very low | 28.8 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | cis | -153.9 | 166 | -10 | 47.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 496 | S | 27.8 | Very low | 28.5 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | cis | 80.6 | 101.3 | -8 | 79.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 497 | I | 26.8 | Very low | 28.1 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -166.2 | 139.3 | 143.2 | -104.2 | 161.1 | 0 | 0 | 0 | 112.2 | | |
| 498 | N | 27.2 | Very low | 28.6 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | | | trans | 53.7 | 134.6 | 161.1 | -63 | 3.1 | 0 | 0 | 0 | 125.2 | | |
| 499 | T | 29.9 | Very low | 28.8 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | trans | -92 | 151.9 | 151.9 | 47.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 500 | P | 35 | Very low | 28.7 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | | -128.1 | 162.1 | 113.2 | 4.6 | 17.8 | 0 | 0 | 0 | 111.3 | | |
| 501 | V | 24.1 | Very low | 28.8 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | cis | 97.7 | 119.9 | 24.9 | 175.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 502 | L | 23.9 | Very low | 29.1 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | 64.3 | 157.9 | 173.8 | -99.5 | 70.3 | 0 | 0 | 0 | 116.2 | | |
| 503 | S | 24.6 | Very low | 29.1 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | cis | -153.5 | 172.4 | 6.5 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 504 | N | 26.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | -55.3 | 159.7 | 170.1 | -35.7 | -49.9 | 0 | 0 | 0 | 113.6 | | |
| 505 | H | 27.5 | Very low | 29 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | | | | 174.1 | 129.5 | 105.8 | -97.8 | -69.1 | 0 | 0 | 0 | 116.8 | | |
| 506 | T | 27 | Very low | 29.3 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | | | trans | 71.8 | 142.8 | 139.7 | -37.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 507 | T | 28.8 | Very low | 29.4 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | | | trans | -87.6 | -159.6 | 175.1 | 50.2 | 0 | 0 | 0 | 0 | 110 | | |
| 508 | P | 44.3 | Very low | 29.4 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | | | cis | -150 | -160.1 | 14.7 | 45.5 | -22 | 0 | 0 | 0 | 118 | | |
| 509 | T | 28.9 | Very low | 29.6 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | | | trans | 69.1 | 137.9 | 160.3 | 44.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 510 | I | 29.8 | Very low | 29.6 | Very low | 165 Ų | 165 | 130 Ų | 130 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | | | cis | -143.1 | -179.6 | 7.3 | 14.6 | 171.2 | 0 | 0 | 0 | 108.8 | | |
| 511 | S | 27.4 | Very low | 29.3 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | cis | -139.2 | -130.1 | 16.3 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 512 | T | 31.6 | Very low | 29.5 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | | | trans | -164.3 | 132.6 | -153.1 | 40.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 513 | C | 26.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | | | trans | 176.8 | 99.7 | 139.7 | -129.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 514 | I | 33 | Very low | 29.7 | Very low | 143 Ų | 143 | 134 Ų | 134 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | | 75.7 | 131.6 | 82.5 | -71.8 | 171.1 | 0 | 0 | 0 | 113.4 | | |
| 515 | Q | 33.9 | Very low | 29.7 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | | | cis | -172.9 | -175.4 | -19.4 | -161.3 | 174.8 | -60.2 | 0 | 0 | 109.3 | | |
| 516 | E | 30.8 | Very low | 29.7 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | 75 | 133 | 156.5 | -62.4 | -60.1 | 92.4 | 0 | 0 | 117.7 | | |
| 517 | V | 28.8 | Very low | 29.7 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | cis | -147.4 | 162.1 | -8.6 | -163 | 0 | 0 | 0 | 0 | 108.2 | | |
| 518 | G | 28.1 | Very low | 29.7 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | 155.2 | 46.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | K520 | G518-K520 PolarHBondContact O-N 3.4Š|
| 519 | S | 31.3 | Very low | 29 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -67.7 | 123.4 | -173.6 | -73.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 520 | K | 30.4 | Very low | 29.3 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | 57.8 | 147.7 | 132.9 | -95 | 173.9 | 178 | 165.9 | 0 | 122.8 | G518 | G518-K520 PolarHBondContact O-N 3.4Š|
| 521 | K | 28.7 | Very low | 29.8 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | trans | 93.7 | 139.5 | 135.7 | -104.8 | -175.2 | 173.6 | -172 | 0 | 120.5 | | |
| 522 | I | 27.4 | Very low | 29.8 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | trans | 71.8 | 144.6 | 155.5 | -59.7 | 158.1 | 0 | 0 | 0 | 115.7 | | |
| 523 | G | 26.3 | Very low | 29.6 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | | | trans | 158.8 | 126.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 524 | K | 27.6 | Very low | 29.6 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | -144.8 | 139.5 | 179.5 | -148.4 | -175.1 | 169.5 | -82.2 | 0 | 105.9 | | |
| 525 | D | 26.3 | Very low | 29.9 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | 58.3 | 156.4 | 162.4 | -47.6 | -35.3 | 0 | 0 | 0 | 118.3 | | |
| 526 | G | 27.3 | Very low | 29.5 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | | | trans | 125.4 | 104.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 527 | D | 26.8 | Very low | 29.3 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | -67.8 | 146.7 | 173.7 | -51.9 | -87.1 | 0 | 0 | 0 | 114.1 | | |
| 528 | V | 29.4 | Very low | 29.2 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | | | trans | -139.1 | 135.5 | 148.1 | -178 | 0 | 0 | 0 | 0 | 110.4 | | |
| 529 | L | 29.9 | Very low | 29.1 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | -66.1 | 157.5 | -170.1 | -56.7 | 65.4 | 0 | 0 | 0 | 116.5 | | |
| 530 | E | 33.7 | Very low | 28.7 | Very low | 130 Ų | 130 | 134 Ų | 134 | 61% | 0.607 | 75% | 0.754 | S | S | * | * | | | | 53.5 | 158.6 | 129.9 | -75.9 | -93 | 151.7 | 0 | 0 | 120.7 | Q532 | E530-Q532 PolarHBondContact OE1-NE2 3.37Å; E530-Q532 PolarHBondContact OE2-N 3.24Å; E530-Q532 VanDerWaalsContact OE2-N 3.1Å; E530-Q532 PolarHBondContact OE2-NE2 2.77Å |
| 531 | P | 41.5 | Very low | 28.5 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | cis | -130.2 | 167 | 23.5 | 41.4 | -24.4 | 0 | 0 | 0 | 120 | | |
| 532 | Q | 27.1 | Very low | 28.3 | Very low | 138 Ų | 138 | 129 Ų | 129 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | | | trans | -60 | 154.5 | 170.8 | -65.3 | 155.8 | 42.8 | 0 | 0 | 114.2 | E530 | E530-Q532 PolarHBondContact OE1-NE2 3.37Å; E530-Q532 PolarHBondContact OE2-N 3.24Å; E530-Q532 VanDerWaalsContact OE2-N 3.1Å; E530-Q532 PolarHBondContact OE2-NE2 2.77Å |
| 533 | S | 27 | Very low | 28.2 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | | | trans | -157.8 | 80.3 | 153.8 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 534 | F | 27.3 | Very low | 28.2 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | | | trans | -81.8 | 150 | 153.9 | -75.8 | -60.3 | 0 | 0 | 0 | 108.5 | V536 | F534-V536 HydrophobicContact CB-CG2 3.85Å; F534-V536 HydrophobicContact CD1-CG2 3.28Å; F534-V536 HydrophobicContact CE1-CG2 3.95Å; F534-V536 HydrophobicContact CG-CG2 3.77Å |
| 535 | P | 38.2 | Very low | 28.2 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | | | | -136.9 | 154.3 | 71.8 | 37.5 | -20.8 | 0 | 0 | 0 | 113 | | |
| 536 | V | 26.3 | Very low | 28.6 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 58% | 0.582 | 74% | 0.743 | S | S | * | * | | | cis | 75.7 | 138.7 | 17 | -158.9 | 0 | 0 | 0 | 0 | 115.2 | F534 | F534-V536 HydrophobicContact CB-CG2 3.85Å; F534-V536 HydrophobicContact CD1-CG2 3.28Å; F534-V536 HydrophobicContact CE1-CG2 3.95Å; F534-V536 HydrophobicContact CG-CG2 3.77Å |
| 537 | I | 26.3 | Very low | 29.3 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | | | trans | 62.2 | 150.2 | -176.4 | -9.3 | 175.7 | 0 | 0 | 0 | 111.3 | | |
| 538 | S | 25.8 | Very low | 29.5 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | cis | -160.5 | 169.8 | 19.7 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 539 | S | 25.9 | Very low | 29.6 | Very low | 79 Ų | 79 | 133 Ų | 133 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | | | cis | -176.6 | 141.8 | -28.3 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 540 | V | 24.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | | | trans | 65.4 | 172.1 | 134 | 178.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 541 | F | 24.7 | Very low | 29.6 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 79% | 0.789 | 73% | 0.733 | S | S | * | * | | | trans | 81.6 | 131.4 | 175.8 | -58.7 | -80.4 | 0 | 0 | 0 | 117.6 | | |
| 542 | S | 25.5 | Very low | 29.2 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | | | cis | -163 | 149.1 | -25.3 | -125.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 543 | L | 25.7 | Very low | 29.7 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | | | trans | 21.2 | 169.2 | 130.7 | -59.2 | 174.2 | 0 | 0 | 0 | 122.9 | | |
| 544 | S | 26.3 | Very low | 29.8 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | 71 | 137.2 | -164.9 | -89.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 545 | E | 28 | Very low | 29.9 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | cis | -150.2 | 151 | 7.5 | -143.3 | 140.8 | -99.8 | 0 | 0 | 112.5 | | |
| 546 | Q | 33 | Very low | 29.8 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | trans | -124.3 | 143.8 | 161.1 | -85.9 | -101.6 | -27.5 | 0 | 0 | 106.4 | | |
| 547 | P | 42 | Very low | 29.8 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | | | | -110.7 | 143.2 | 95.9 | -11.8 | 30.5 | 0 | 0 | 0 | 112.6 | | |
| 548 | E | 32.2 | Very low | 29.8 | Very low | 165 Ų | 165 | 134 Ų | 134 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | | | | 47.9 | 123.9 | 86.8 | -54.3 | -167.1 | 157.5 | 0 | 0 | 114.4 | | |
| 549 | E | 30.6 | Very low | 30 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | cis | -148.2 | -176.3 | 4.9 | -129.4 | -115.5 | 122.2 | 0 | 0 | 107.4 | Q551 | E549-Q551 VanDerWaalsContact OE1-CG 3.23Å; E549-Q551 WeakPolarHBondContact OE1-CG 3.22Å; E549-Q551 PolarHBondContact OE1-N 3.2Å |
| 550 | S | 33.9 | Very low | 30.1 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | cis | -150.7 | 161.5 | 21.6 | 64.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 551 | Q | 30.9 | Very low | 30.2 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | 15.9 | 119.3 | 153.7 | -54.2 | -171.4 | 8.2 | 0 | 0 | 120.3 | E549 | E549-Q551 VanDerWaalsContact OE1-CG 3.23Å; E549-Q551 WeakPolarHBondContact OE1-CG 3.22Å; E549-Q551 PolarHBondContact OE1-N 3.2Å |
| 552 | G | 33 | Very low | 30.3 | Very low | 66 Ų | 66 | 143.6 Ų | 143.6 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | | | trans | 155.5 | 119.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 553 | P | 36.3 | Very low | 30.2 | Very low | 139 Ų | 139 | 143 Ų | 143 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | | | trans | -78.7 | 151.9 | -171.3 | 31.1 | -35.4 | 0 | 0 | 0 | 114.2 | | |
| 554 | I | 28.8 | Very low | 30.3 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | | | trans | -113.4 | 135.7 | 175.2 | -62.8 | 171.5 | 0 | 0 | 0 | 108.9 | | |
| 555 | E | 31.1 | Very low | 30.2 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | -127.5 | 124.4 | 167.1 | -164 | 172.9 | -130.2 | 0 | 0 | 110.2 | | |
| 556 | P | 35.3 | Very low | 30 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | | | trans | -94.6 | 111.1 | -170.6 | 33.9 | -32.9 | 0 | 0 | 0 | 113.5 | V558 | P556-V558 PolarHBondContact O-N 2.81Š|
| 557 | L | 26.9 | Very low | 29.7 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | | | trans | -79.2 | 119 | 176.3 | -157.6 | 80.3 | 0 | 0 | 0 | 112.2 | | |
| 558 | V | 26.7 | Very low | 29 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -132.8 | 155.1 | -177.2 | 164.7 | 0 | 0 | 0 | 0 | 110.9 | P556 | P556-V558 PolarHBondContact O-N 2.81Š|
| 559 | M | 29.3 | Very low | 28.8 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | | | trans | 79.5 | 98.6 | 168.8 | -86.3 | 175.3 | 66.3 | 0 | 0 | 120.8 | | |
| 560 | A | 28.6 | Very low | 28.6 | Very low | 94 Ų | 94 | 152.5 Ų | 152.5 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | | | | 91 | 142.8 | 106.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 561 | L | 26 | Very low | 28.2 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | | | trans | -82.1 | 141.5 | 176.9 | -64.1 | 156.2 | 0 | 0 | 0 | 111.7 | | |
| 562 | R | 25.8 | Very low | 28 | Very low | 249 Ų | 249 | 152.2 Ų | 152.2 | 94% | 0.94 | 83% | 0.829 | S | S | * | * | | | trans | -139.3 | 143.4 | 151.5 | -72.8 | -164.6 | 174.4 | -161.2 | -1.3 | 110.5 | | |
| 563 | G | 24.1 | Very low | 27.7 | Very low | 74 Ų | 74 | 154.3 Ų | 154.3 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 164.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 564 | I | 26.9 | Very low | 27.2 | Very low | 175 Ų | 175 | 156.3 Ų | 156.3 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 124.8 | 178.9 | -62.8 | 176.4 | 0 | 0 | 0 | 109.9 | | |
| 565 | V | 24.9 | Very low | 27.1 | Very low | 121 Ų | 121 | 154.9 Ų | 154.9 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -98 | 143.6 | 173.3 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | H567 | V565-H567 PolarHBondContact O-N 2.78Š|
| 566 | M | 23.7 | Very low | 27.2 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 118.2 | 179 | -70.6 | -101.1 | -75.6 | 0 | 0 | 111.8 | | |
| 567 | H | 27.1 | Very low | 26.9 | Very low | 182 Ų | 182 | 155.8 Ų | 155.8 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | trans | -85 | 115.3 | 173.5 | -93.2 | -86.8 | 0 | 0 | 0 | 112.6 | V565 | V565-H567 PolarHBondContact O-N 2.78Š|
| 568 | K | 27.6 | Very low | 27.1 | Very low | 175 Ų | 175 | 157.5 Ų | 157.5 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | | | trans | -81.7 | 118.5 | 166.8 | -177.9 | -177 | -180 | -173.8 | 0 | 109.3 | | |
| 569 | K | 26.6 | Very low | 27.1 | Very low | 205 Ų | 205 | 157.7 Ų | 157.7 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | | | trans | -82 | 130.9 | 170.2 | -70.1 | -173.2 | 177 | -176.3 | 0 | 110.3 | | |
| 570 | Q | 28 | Very low | 27 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -117.7 | 148.8 | 153.7 | -84 | 179.2 | -85.1 | 0 | 0 | 108.1 | | |
| 571 | S | 25.7 | Very low | 27.1 | Very low | 116 Ų | 116 | 153.7 Ų | 153.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -116.6 | 125.1 | -174.7 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 572 | T | 25.2 | Very low | 27.4 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -137.4 | 123 | 163.5 | 44.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 573 | S | 26.6 | Very low | 27.6 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -70.9 | 153.6 | 167.9 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 574 | Q | 27.1 | Very low | 27.8 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | | -173.7 | 159.8 | 108.2 | -164.8 | 153.2 | 4.2 | 0 | 0 | 111.2 | | |
| 575 | D | 26.5 | Very low | 27.9 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -87.6 | 161.7 | -168.7 | -38.4 | -98.9 | 0 | 0 | 0 | 115.3 | | |
| 576 | Q | 31.9 | Very low | 28 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | | -174.7 | 127.5 | 119.1 | -99 | 162 | 97 | 0 | 0 | 112.1 | | |
| 577 | I | 30.3 | Very low | 28.4 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | | 70.6 | 131.6 | 93.6 | -65.8 | -173.9 | 0 | 0 | 0 | 113.8 | | |
| 578 | R | 30.2 | Very low | 29.2 | Very low | 220 Ų | 220 | 145.7 Ų | 145.7 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | cis | -116.8 | -120.9 | 8.7 | -149.9 | 168.9 | 56.1 | -162.7 | -3.1 | 112.4 | | |
| 579 | N | 27.7 | Very low | 29.4 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | | | cis | -159.4 | 150.4 | -1.9 | -168.2 | 63.8 | 0 | 0 | 0 | 112.4 | | |
| 580 | G | 27.6 | Very low | 29.6 | Very low | 48 Ų | 48 | 138 Ų | 138 | 50% | 0.495 | 76% | 0.762 | S | S | . | * | | | trans | 87.9 | 122.3 | 169 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 581 | T | 30.6 | Very low | 29.6 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | | 66.5 | 122.3 | 60.3 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 582 | D | 30.7 | Very low | 29.9 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | | | cis | -163.6 | -166.7 | -0 | -138 | -55.3 | 0 | 0 | 0 | 111.9 | | |
| 583 | E | 31.1 | Very low | 29.9 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | | | trans | 79.6 | 106.3 | 152.1 | -80.3 | -91.4 | 85.6 | 0 | 0 | 121.7 | | |
| 584 | K | 28.1 | Very low | 30 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 65% | 0.648 | 75% | 0.748 | S | S | * | * | | | | 96.9 | 109.4 | 113.3 | -138.1 | -176.5 | -143.1 | 82.9 | 0 | 122.6 | | |
| 585 | L | 28.5 | Very low | 30.2 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | | | trans | 21.9 | 128.9 | 146.1 | -68.5 | 82.3 | 0 | 0 | 0 | 121.3 | | |
| 586 | K | 27.6 | Very low | 30.3 | Very low | 203 Ų | 203 | 140.7 Ų | 140.7 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | | | | -169.5 | 145.7 | 94.9 | -108.8 | -179.2 | -179.8 | 178 | 0 | 116.3 | | |
| 587 | A | 31.3 | Very low | 30.1 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | trans | -136.8 | -174.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 588 | P | 44.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | cis | -146.2 | 177.6 | 5.2 | 45.4 | -26.8 | 0 | 0 | 0 | 117.9 | | |
| 589 | A | 31.6 | Very low | 30.2 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | | | trans | 71.3 | 160.3 | 134.6 | 0 | 0 | 0 | 0 | 0 | 125.7 | | |
| 590 | S | 31.2 | Very low | 30.3 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | | | trans | 86.7 | 139.5 | 167 | 75.2 | 0 | 0 | 0 | 0 | 118 | | |
| 591 | G | 28.6 | Very low | 30.5 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | cis | -129.2 | 159.7 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 592 | R | 30.1 | Very low | 30.3 | Very low | 235 Ų | 235 | 133.9 Ų | 133.9 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | | | | 64.1 | 135.8 | 64.6 | -82.5 | -151.4 | 172.8 | -158.3 | 0.4 | 114.2 | | |
| 593 | L | 26.1 | Very low | 30.2 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 61% | 0.607 | 75% | 0.754 | S | S | * | * | | | cis | -165 | -161.6 | -13.4 | -158.5 | 102.6 | 0 | 0 | 0 | 109.4 | | |
| 594 | I | 29.1 | Very low | 30.3 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | | | trans | 76.3 | 99.9 | 179.4 | -48.3 | 174 | 0 | 0 | 0 | 112.5 | | |
| 595 | Q | 31.2 | Very low | 30.2 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | cis | 86 | 102.7 | 16.4 | -160.9 | -170.1 | -2.3 | 0 | 0 | 116.9 | | |
| 596 | Q | 27.6 | Very low | 30.1 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | trans | 152.5 | 151.1 | 138.8 | -85.6 | -176.2 | -2 | 0 | 0 | 109.5 | | |
| 597 | A | 28.3 | Very low | 30 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 63% | 0.628 | 75% | 0.754 | S | S | * | * | | | cis | -166.2 | 167.5 | -28.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 598 | E | 29.6 | Very low | 29.8 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | | | trans | 73.6 | 141 | 160.7 | -44.3 | -136.4 | 146.7 | 0 | 0 | 118.2 | | |
| 599 | K | 33.1 | Very low | 29 | Very low | 147 Ų | 147 | 133 Ų | 133 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | | | cis | -161.3 | 165.8 | -18.5 | -119.6 | 172.4 | -164.8 | 149.7 | 0 | 110.6 | | |
| 600 | N | 30.6 | Very low | 28.7 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | 60.1 | 76.7 | 152.5 | -57.2 | -6.1 | 0 | 0 | 0 | 118.9 | | |
| 601 | G | 30.5 | Very low | 28.5 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | | | trans | -86.5 | 120.8 | 139 | 0 | 0 | 0 | 0 | 0 | 109.2 | F603 | G601-F603 PolarHBondContact O-N 3.46Š|
| 602 | A | 27.6 | Very low | 28.3 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -73.4 | 114.4 | 171 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 603 | F | 27.6 | Very low | 28.1 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | | 65.2 | 96.1 | 80 | -87.7 | -81.4 | 0 | 0 | 0 | 114.8 | G601 | G601-F603 PolarHBondContact O-N 3.46Š|
| 604 | T | 34.5 | Very low | 28 | Very low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | | | trans | -55.8 | 143.9 | 156.5 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 605 | C | 25.8 | Very low | 27.7 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | -179 | 150.4 | 158.6 | -102.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 606 | D | 25.8 | Very low | 27.7 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | cis | -167.9 | -172.9 | -6.2 | -144.3 | -29.3 | 0 | 0 | 0 | 112.3 | | |
| 607 | V | 26 | Very low | 27.5 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | | | trans | 80 | 97.4 | 141.2 | 161.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 608 | L | 25.9 | Very low | 27.3 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | | | | 47.8 | 123.3 | 118.7 | -57.4 | 173.5 | 0 | 0 | 0 | 122.8 | | |
| 609 | L | 27.3 | Very low | 27.1 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | | 78.5 | 165.1 | 126 | -69.3 | 173.7 | 0 | 0 | 0 | 122.6 | | |
| 610 | T | 25.9 | Very low | 26.8 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | | | trans | 84.9 | 121 | 161.8 | 42 | 0 | 0 | 0 | 0 | 122.1 | | |
| 611 | E | 27.1 | Very low | 26.7 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | trans | 90.8 | 163.1 | 134.7 | -76.8 | -176.8 | -167 | 0 | 0 | 123.1 | | |
| 612 | K | 25.4 | Very low | 26.7 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -129 | 147.1 | -161.6 | -60.7 | 174.8 | 178.5 | 175.1 | 0 | 110.5 | | |
| 613 | S | 25.3 | Very low | 26.6 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | 63 | 160.9 | 141.8 | 63.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 614 | T | 24.9 | Very low | 26.4 | Very low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | 64.5 | 150.5 | 169 | 62.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 615 | E | 22.8 | Very low | 26.1 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | cis | -151.7 | 164.4 | -34 | -170.6 | 157.9 | -161.8 | 0 | 0 | 108.5 | | |
| 616 | C | 30.3 | Very low | 26.1 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | | | trans | -73.1 | 161 | -180 | -172.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 617 | V | 22.7 | Very low | 27 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | | | trans | 160 | 138 | 130.9 | 156.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 618 | K | 23.9 | Very low | 27.4 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | | | trans | 69.5 | 156.4 | 169.1 | -75.9 | 156.7 | -160.8 | 165.2 | 0 | 115.2 | | |
| 619 | V | 25.8 | Very low | 27.3 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 87% | 0.873 | 74% | 0.744 | S | S | * | * | | | cis | -116.1 | 173.9 | 23.6 | 176.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 620 | K | 26.3 | Very low | 27.2 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | | | trans | -150 | 159.2 | -173.2 | -161.1 | -175.9 | -175.5 | 177.7 | 0 | 109.7 | | |
| 621 | K | 29.6 | Very low | 27.3 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | | | trans | 72.4 | 154.4 | 167 | -75.1 | -166 | 168.7 | -86.7 | 0 | 116.3 | | |
| 622 | E | 29.7 | Very low | 27.3 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | | | cis | -172.6 | -168.2 | -22.3 | -117.2 | 166.5 | -143.7 | 0 | 0 | 107.4 | | |
| 623 | V | 26.2 | Very low | 27.3 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 70% | 0.703 | 73% | 0.727 | S | S | * | * | | | cis | -118.2 | -94.4 | 9.1 | -172.7 | 0 | 0 | 0 | 0 | 112 | | |
| 624 | N | 24.2 | Very low | 27.4 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | | | cis | -158.5 | 97.9 | -6.5 | -171.7 | 96.3 | 0 | 0 | 0 | 114 | | |
| 625 | L | 26.7 | Very low | 27.4 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 71% | 0.707 | 72% | 0.72 | S | S | * | * | | | trans | 58.7 | 151.7 | 148.5 | -58.3 | 174.4 | 0 | 0 | 0 | 121.2 | | |
| 626 | Q | 27.1 | Very low | 27.5 | Very low | 162 Ų | 162 | 134 Ų | 134 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | | | cis | -164.7 | -154.8 | -27.8 | -152.4 | -168.6 | -4.7 | 0 | 0 | 109.6 | | |
| 627 | P | 43.5 | Very low | 27.1 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 62% | 0.617 | 71% | 0.713 | S | S | * | * | | | | -105.6 | -171.9 | -124.5 | 44.9 | -28.5 | 0 | 0 | 0 | 115 | | |
| 628 | P | 34.8 | Very low | 27.2 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | | -117.4 | 152.8 | 76 | -2.3 | 25.1 | 0 | 0 | 0 | 113.7 | | |
| 629 | A | 24.5 | Very low | 27.2 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | | | | 67 | 125.7 | 74.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 630 | L | 25.1 | Very low | 27.1 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | | | cis | 67.7 | 135.9 | 37.3 | -52.8 | 177.9 | 0 | 0 | 0 | 112.3 | | |
| 631 | T | 27.3 | Very low | 27.1 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | | | cis | -162.1 | -169.4 | 8 | -1.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 632 | Q | 26.6 | Very low | 26.9 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | | | trans | 100.4 | 141.9 | 153.4 | -56.3 | -161 | -97.8 | 0 | 0 | 117 | | |
| 633 | N | 27 | Very low | 26.7 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 57% | 0.567 | 71% | 0.711 | S | S | * | * | | | cis | -154.6 | 167.2 | 1.5 | -121.8 | 18.1 | 0 | 0 | 0 | 114.3 | | |
| 634 | D | 26.6 | Very low | 26.7 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | | | trans | 48.2 | 141.2 | 145.2 | -53.8 | -25.9 | 0 | 0 | 0 | 122 | | |
| 635 | I | 24.8 | Very low | 26.8 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | | | cis | 103.1 | 134.6 | 27.2 | -69.8 | 171.1 | 0 | 0 | 0 | 114.2 | | |
| 636 | H | 23.9 | Very low | 26.8 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | | | trans | 92.9 | 127.9 | 161.4 | -83.7 | -41.4 | 0 | 0 | 0 | 124.2 | | |
| 637 | I | 23.5 | Very low | 26.8 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | | | trans | 70.5 | 102.6 | 138.1 | -63.4 | 167.1 | 0 | 0 | 0 | 118.1 | | |
| 638 | K | 23.1 | Very low | 26 | Very low | 178 Ų | 178 | 134 Ų | 134 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | | | | 76.2 | 119.9 | 70.7 | -173.8 | -169.5 | -176.3 | -175.4 | 0 | 114.9 | | |
| 639 | K | 24.9 | Very low | 25.8 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 68% | 0.683 | 72% | 0.717 | S | S | * | * | | | trans | 70.2 | 152 | 163 | -91.8 | -169.7 | 169.9 | -131.4 | 0 | 116.5 | | |
| 640 | E | 24.2 | Very low | 26.1 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | | | cis | -162.2 | -177.1 | -11.7 | -153.4 | 156.1 | -142.4 | 0 | 0 | 111.2 | | |
| 641 | E | 26.5 | Very low | 26.3 | Very low | 152 Ų | 152 | 135 Ų | 135 | 71% | 0.71 | 72% | 0.718 | S | S | * | * | | | trans | 71 | 113 | 153.6 | -68 | -148.4 | 89.4 | 0 | 0 | 123.5 | | |
| 642 | N | 25.3 | Very low | 26.1 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | | | | 61.5 | 128.8 | 117.2 | -64.2 | -30.3 | 0 | 0 | 0 | 124.3 | | |
| 643 | G | 24.8 | Very low | 26.2 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | | | trans | 107.8 | 158.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 644 | A | 25.9 | Very low | 26.2 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 78% | 0.777 | 72% | 0.724 | S | S | * | * | | | cis | -166.5 | 143.4 | -30.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 645 | R | 26.8 | Very low | 26.4 | Very low | 221 Ų | 221 | 133 Ų | 133 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | | | trans | 43.6 | 125.8 | 147.2 | -75.3 | -177.8 | 171.8 | -128.7 | 1 | 122.6 | | |
| 646 | I | 26.5 | Very low | 27.3 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | | | | 77.3 | 129.4 | 127.1 | -62.9 | 169.8 | 0 | 0 | 0 | 119.8 | | |
| 647 | G | 27.4 | Very low | 27.4 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | trans | 110.1 | 148.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 648 | D | 26.8 | Very low | 27.6 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | | | cis | -163.7 | 169.2 | -26 | -139.2 | -45 | 0 | 0 | 0 | 111.4 | | |
| 649 | A | 30.8 | Very low | 27.9 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 54% | 0.537 | 73% | 0.725 | S | S | . | * | | | trans | 62.2 | 132.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 650 | N | 31.1 | Very low | 29 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | | | trans | 73.5 | 149.2 | 135.2 | -71 | -20.6 | 0 | 0 | 0 | 119.6 | | |
| 651 | K | 28.1 | Very low | 29 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 73% | 0.726 | 74% | 0.736 | S | S | * | * | | | cis | -164.1 | 149.6 | -8.7 | -130.8 | -176.8 | 179.1 | 179.9 | 0 | 110.8 | | |
| 652 | C | 24.3 | Very low | 29.1 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | | | trans | 58.5 | 165.4 | 139.9 | -79.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 653 | S | 26.9 | Very low | 29.1 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | | | cis | -171.2 | 170.7 | -11.4 | 39.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 654 | H | 28.5 | Very low | 29.1 | Very low | 180 Ų | 180 | 124.3 Ų | 124.3 | 83% | 0.833 | 73% | 0.731 | S | S | * | * | | | trans | 92.1 | 123.1 | 155.1 | -63 | -58.6 | 0 | 0 | 0 | 121.1 | | |
| 655 | S | 29.5 | Very low | 29 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 58% | 0.58 | 73% | 0.73 | S | S | * | * | | | trans | -76.4 | 177.8 | 152.9 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 656 | P | 44.5 | Very low | 29.2 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | | | | -117.1 | 150.6 | 80.9 | -3.4 | 25.1 | 0 | 0 | 0 | 112.1 | | |
| 657 | D | 25.1 | Very low | 29.1 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | | | | 70.9 | 116.1 | 54.2 | -89.7 | -56.6 | 0 | 0 | 0 | 115.7 | | |
| 658 | L | 29.2 | Very low | 29.8 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 88% | 0.88 | 74% | 0.741 | S | S | * | * | | | | -166.1 | 163.6 | 103.9 | -96.6 | 172.6 | 0 | 0 | 0 | 111.2 | | |
| 659 | T | 29.4 | Very low | 29.7 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | | | trans | -122.9 | -136.2 | -155.9 | 44.9 | 0 | 0 | 0 | 0 | 115 | | |
| 660 | P | 46.6 | Very low | 29.5 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | -131.5 | 173.8 | -108.4 | 41.5 | -24.2 | 0 | 0 | 0 | 117.3 | | |
| 661 | S | 26 | Very low | 30 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | trans | -169.7 | 135.8 | 142.2 | 29.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 662 | A | 28.1 | Very low | 29.9 | Very low | 87 Ų | 87 | 122.2 Ų | 122.2 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | | | cis | 101.9 | 149.5 | 23.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 663 | C | 24.5 | Very low | 30 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | | | trans | 71.9 | 145.3 | 172.8 | -60.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 664 | E | 25.8 | Very low | 30 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | | | cis | -154.4 | 172.5 | -11.5 | -113.4 | -38.2 | 97.6 | 0 | 0 | 111.2 | | |
| 665 | D | 24 | Very low | 29.9 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | -63.3 | 162.9 | -177 | -97 | -40.1 | 0 | 0 | 0 | 117.4 | | |
| 666 | S | 29.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | | | | -178.1 | 127.7 | 126 | -81.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 667 | K | 26.5 | Very low | 28.7 | Very low | 194 Ų | 194 | 125.7 Ų | 125.7 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | | | trans | -95.8 | 161.2 | 162.8 | -124.8 | 177.9 | -179.2 | 175.6 | 0 | 109.1 | | |
| 668 | P | 40.1 | Very low | 28.7 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | | -125.2 | -139.4 | 62.1 | 24.5 | -0.1 | 0 | 0 | 0 | 110.8 | | |
| 669 | A | 25.3 | Very low | 28.4 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | | | cis | -157.2 | 179.7 | 6.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 670 | S | 26.7 | Very low | 28.2 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | | | trans | -161.3 | -176.5 | 179.1 | 64.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 671 | P | 41.1 | Very low | 27.1 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | | | cis | -146 | -162.2 | 13.3 | 45.1 | -24.1 | 0 | 0 | 0 | 116.4 | | |
| 672 | V | 27.7 | Very low | 27.2 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | | | trans | 71.9 | 130.9 | 152.4 | 165.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 673 | E | 26.3 | Very low | 27.4 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | | | cis | -154.5 | 167.7 | -6.3 | -121.7 | -178.8 | 159.8 | 0 | 0 | 115.6 | | |
| 674 | K | 26.8 | Very low | 27.4 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | | | trans | -4.9 | 158.1 | 147.9 | -65.6 | 164.4 | -164.7 | 158.8 | 0 | 120.1 | | |
| 675 | A | 26.4 | Very low | 27.4 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | | | cis | -175.9 | 170 | -16.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 676 | N | 25 | Very low | 27.5 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | 72.5 | 159.3 | 155.2 | -63.2 | -16.1 | 0 | 0 | 0 | 120.2 | | |
| 677 | V | 24.1 | Very low | 27.2 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | | | cis | 173.6 | 143.7 | -49.4 | 139.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 678 | V | 24.6 | Very low | 27.3 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | 69.1 | 157.9 | 163.9 | 147.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 679 | D | 22.8 | Very low | 26.6 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | | | cis | -177.8 | 177.4 | -39.2 | -152.8 | -21.5 | 0 | 0 | 0 | 108.5 | | |
| 680 | K | 23.9 | Very low | 27 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | 73.3 | 134.3 | 169.3 | -61.1 | 172.8 | -178.5 | 174.1 | 0 | 115.9 | | |
| 681 | V | 23.6 | Very low | 26.9 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | cis | 85.4 | 101.5 | 29.5 | -176.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 682 | Q | 28.2 | Very low | 26.1 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | 41.9 | 150.1 | 142.2 | -57.8 | -174.1 | 1.2 | 0 | 0 | 121.5 | | |
| 683 | P | 32.6 | Very low | 26.7 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | | -139.9 | 177 | 103 | 38.4 | -26.5 | 0 | 0 | 0 | 115.3 | | |
| 684 | A | 24.7 | Very low | 26.7 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | | | trans | -85.2 | -179.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 685 | T | 25.8 | Very low | 26.8 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | | -165 | 146 | 64.9 | 44.6 | 0 | 0 | 0 | 0 | 116 | | |
| 686 | V | 26.3 | Very low | 26.9 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | trans | 48.9 | 121.2 | 139.1 | -175.1 | 0 | 0 | 0 | 0 | 121 | | |
| 687 | G | 22.9 | Very low | 26.9 | Very low | 74 Ų | 74 | 138.3 Ų | 138.3 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | -165.9 | 141.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 688 | K | 29.5 | Very low | 27 | Very low | 225 Ų | 225 | 136 Ų | 136 | 98% | 0.978 | 77% | 0.765 | S | S | * | * | | | trans | -85.7 | 142.6 | -177.2 | -79.2 | -179.3 | 178 | 173.6 | 0 | 112.7 | | |
| 689 | G | 24.5 | Very low | 27.1 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -162.8 | 128.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 690 | K | 33.2 | Very low | 27.2 | Very low | 221 Ų | 221 | 130.5 Ų | 130.5 | 96% | 0.961 | 73% | 0.733 | S | S | * | * | | | trans | -89.3 | 131.4 | 161.4 | -88.1 | -170.6 | 172.5 | -172.2 | 0 | 107.5 | | |
| 691 | A | 26 | Very low | 27.2 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | | | trans | -150.5 | 160.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 692 | D | 24.2 | Very low | 27.3 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | | | trans | -62.8 | 160.5 | -154.7 | -62.8 | -73.1 | 0 | 0 | 0 | 119.5 | S694 | D692-S694 VanDerWaalsContact C-N 3.27Å; D692-S694 PolarHBondContact O-N 2.83Å |
| 693 | E | 38.8 | Very low | 27 | Very low | 199 Ų | 199 | 124.1 Ų | 124.1 | 93% | 0.93 | 70% | 0.703 | S | S | * | * | | | trans | -60.5 | 81.1 | 157.9 | -66.9 | -175.9 | 96.5 | 0 | 0 | 111.9 | S695 | E693-S695 PolarHBondContact O-N 3.44Š|
| 694 | S | 27.1 | Very low | 26.6 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | | | trans | -83.2 | 106.5 | 167.9 | 45.2 | 0 | 0 | 0 | 0 | 110.6 | D692 R696 | D692-S694 VanDerWaalsContact C-N 3.27Å; D692-S694 PolarHBondContact O-N 2.83Å; S694-R696 PolarHBondContact O-N 2.86Å; S694-R696 VanDerWaalsContact O-N 3.12Å |
| 695 | S | 29.3 | Very low | 26.6 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | | | trans | -61.9 | 112.3 | 178.7 | -75.1 | 0 | 0 | 0 | 0 | 111.6 | E693 F697 | E693-S695 PolarHBondContact O-N 3.44Å; S695-F697 PolarHBondContact O-N 2.74Å |
| 696 | R | 27.4 | Very low | 26.5 | Very low | 234 Ų | 234 | 131.9 Ų | 131.9 | 88% | 0.883 | 71% | 0.706 | S | S | * | * | | | trans | -74.6 | 69.6 | 179.2 | -73.9 | -178.5 | -83.1 | 166.3 | -5.9 | 112.2 | S694 | S694-R696 PolarHBondContact O-N 2.86Å; S694-R696 VanDerWaalsContact O-N 3.12Å |
| 697 | F | 25.4 | Very low | 26.6 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 41% | 0.412 | 70% | 0.699 | S | S | . | * | | | trans | -72.9 | 136.5 | 168.5 | -65.3 | -66.6 | 0 | 0 | 0 | 110.7 | K230 S695 | K230-F697 HydrophobicContact CD-CD1 4.46Å; K230-F697 HydrophobicContact CD-CE1 4.39Å; K230-F697 VanDerWaalsContact CE-CE1 3.48Å; K230-F697 HydrophobicContact CG-CD1 3.84Å; K230-F697 HydrophobicContact CG-CE1 4.13Å; K230-F697 HydrophobicContact CG-CG 4.47Å; S695-F697 PolarHBondContact O-N 2.74Å |
| 698 | L | 26.4 | Very low | 26.7 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 37% | 0.366 | 69% | 0.693 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 122.8 | 170.7 | -95.2 | 154.9 | 0 | 0 | 0 | 109 | V207 | V207-L698 HydrophobicContact CG1-CD1 3.75Å; V207-L698 HydrophobicContact CG2-CD2 4.42Å |
| 699 | T | 25.5 | Very low | 26.7 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 55% | 0.546 | 69% | 0.688 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.1 | 178.3 | -53.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 700 | I | 26.5 | Very low | 26.8 | Very low | 55 Ų | 55 | 135 Ų | 135 | 28% | 0.282 | 69% | 0.692 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.1 | 175.8 | -53.9 | 174.9 | 0 | 0 | 0 | 107.9 | V207 | V207-I700 HydrophobicContact CG2-CD1 4.18Å |
| 701 | S | 23.7 | Very low | 26.7 | Very low | 46 Ų | 46 | 134 Ų | 134 | 32% | 0.322 | 69% | 0.688 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 132 | -177.5 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | L203 | L203-S701 WeakPolarHBondContact CD1-O 3.37Å |
| 702 | L | 25.1 | Very low | 27 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 60% | 0.597 | 69% | 0.694 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.5 | -174.6 | -65.6 | 172.4 | 0 | 0 | 0 | 111.4 | T226 | T226-L702 WeakPolarHBondContact CG2-O 3.47Å |
| 703 | K | 22.9 | Very low | 27.3 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 143.7 | 174.1 | -77.4 | -178.8 | 177 | 174 | 0 | 111.8 | T226 | T226-K703 HydrophobicContact CG2-CG 3.74Š|
| 704 | R | 23.7 | Very low | 27.3 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 127.5 | 173.1 | 178 | -175.8 | -77.1 | 163 | -6.1 | 109.9 | H764 | R704-H764 PolarHBondContact NH2-CE1 2.94Å; R704-H764 VanDerWaalsContact NH2-CE1 3.28Å; R704-H764 PolarHBondContact NH2-NE2 3.41Å |
| 705 | V | 24.1 | Very low | 27.6 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 78% | 0.782 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 137.9 | 167 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 706 | Q | 25 | Very low | 27.6 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | | | trans | -109.6 | 118.3 | -179.4 | -175.9 | 171.4 | -6.3 | 0 | 0 | 109.9 | | |
| 707 | V | 28.1 | Very low | 27.6 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 138.8 | 178.1 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 708 | G | 25.1 | Very low | 27.6 | Very low | 61 Ų | 61 | 145 Ų | 145 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 167.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 709 | I | 27.7 | Very low | 27.5 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 126.9 | -174.5 | -57.8 | 168.3 | 0 | 0 | 0 | 111.3 | | |
| 710 | W | 27.8 | Very low | 27.3 | Very low | 234 Ų | 234 | 154.1 Ų | 154.1 | 89% | 0.886 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 121 | 172.8 | -73.5 | 7.8 | 0 | 0 | 0 | 111.9 | | |
| 711 | K | 30.4 | Very low | 27.3 | Very low | 202 Ų | 202 | 158.3 Ų | 158.3 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 131.4 | 167.4 | -71.3 | -175.9 | 176.8 | -179.6 | 0 | 110.1 | | |
| 712 | K | 32.1 | Very low | 27.3 | Very low | 215 Ų | 215 | 160.5 Ų | 160.5 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 137.4 | 173.6 | -65 | -180 | 179.8 | 178.7 | 0 | 110.5 | | |
| 713 | S | 31.4 | Very low | 27.9 | Very low | 93 Ų | 93 | 166.1 Ų | 166.1 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | | | trans | -125.8 | 145.6 | 163.8 | 64 | 0 | 0 | 0 | 0 | 110.4 | K715 | S713-K715 PolarHBondContact O-N 3.3Š|
| 714 | K | 39.3 | Very low | 28 | Very low | 207 Ų | 207 | 164.2 Ų | 164.2 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | | | trans | -93.2 | 88.8 | -177.5 | -69.6 | -178.2 | 179.4 | 178.5 | 0 | 111.1 | | |
| 715 | K | 32.6 | Very low | 28.4 | Very low | 195 Ų | 195 | 164.7 Ų | 164.7 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -167.4 | 159.2 | 155.8 | -102.7 | 145.9 | -172.4 | -178.6 | 0 | 110.1 | S713 | S713-K715 PolarHBondContact O-N 3.3Š|
| 716 | A | 29.8 | Very low | 28.6 | Very low | 103 Ų | 103 | 170.2 Ų | 170.2 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | trans | -73.4 | 134.6 | -161.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K718 | A716-K718 PolarHBondContact O-N 3.11Š|
| 717 | F | 27.3 | Very low | 28.9 | Very low | 186 Ų | 186 | 170.4 Ų | 170.4 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | | | trans | -85.4 | 97.3 | 174.4 | -85.2 | -90.8 | 0 | 0 | 0 | 111.8 | V719 | F717-V719 PolarHBondContact O-N 3.32Š|
| 718 | K | 24.1 | Very low | 29 | Very low | 194 Ų | 194 | 172.1 Ų | 172.1 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | | | trans | -84.5 | 100.2 | 168.4 | -174.8 | 173.6 | -176.1 | 172.2 | 0 | 109.5 | A716 R720 | A716-K718 PolarHBondContact O-N 3.11Å; K718-R720 PolarHBondContact O-N 3.01Å |
| 719 | V | 24.3 | Very low | 29 | Very low | 117 Ų | 117 | 175 Ų | 175 | 71% | 0.709 | 83% | 0.828 | S | S | * | * | | | trans | -68.1 | 111.6 | -179.9 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | F717 I721 | F717-V719 PolarHBondContact O-N 3.32Å; V719-I721 HydrophobicContact CG1-CD1 4.31Å; V719-I721 HydrophobicContact CG1-CG1 3.8Å |
| 720 | R | 22 | Very low | 29.6 | Very low | 234 Ų | 234 | 172.4 Ų | 172.4 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | -103.1 | 122.8 | 155.7 | -89 | -178.1 | 167.2 | 166.9 | -4.9 | 107.5 | K718 | K718-R720 PolarHBondContact O-N 3.01Š|
| 721 | I | 26.2 | Very low | 29.7 | Very low | 143 Ų | 143 | 164.6 Ų | 164.6 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | | | trans | -97 | 107.9 | 168.4 | -60.8 | 171.1 | 0 | 0 | 0 | 106.8 | V719 | V719-I721 HydrophobicContact CG1-CD1 4.31Å; V719-I721 HydrophobicContact CG1-CG1 3.8Å |
| 722 | S | 25.2 | Very low | 29.6 | Very low | 93 Ų | 93 | 159.9 Ų | 159.9 | 65% | 0.65 | 82% | 0.817 | S | S | * | * | | | trans | -71.3 | 129.7 | 165.3 | 44.1 | 0 | 0 | 0 | 0 | 109.1 | D724 | S722-D724 PolarHBondContact O-N 2.79Š|
| 723 | R | 35.9 | Very low | 29.8 | Very low | 232 Ų | 232 | 157 Ų | 157 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | | | trans | -98 | 73.8 | 174.9 | -80.8 | -178.7 | 166.3 | 167.2 | -5.3 | 109.9 | K725 | R723-K725 PolarHBondContact O-N 3.41Š|
| 724 | D | 26.3 | Very low | 29.6 | Very low | 143 Ų | 143 | 158.1 Ų | 158.1 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | | | trans | -77 | 105 | 170.5 | -67.4 | -46.1 | 0 | 0 | 0 | 109.7 | S722 R726 | S722-D724 PolarHBondContact O-N 2.79Å; D724-R726 PolarHBondContact O-N 2.88Å |
| 725 | K | 30.8 | Very low | 29 | Very low | 198 Ų | 198 | 155.2 Ų | 155.2 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | | | trans | -72.7 | 123 | 170.9 | -68.6 | 179.5 | 178.1 | 179.1 | 0 | 109 | R723 | R723-K725 PolarHBondContact O-N 3.41Š|
| 726 | R | 28.6 | Very low | 28.7 | Very low | 245 Ų | 245 | 150.7 Ų | 150.7 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | | | trans | -106.1 | 127.8 | 149.7 | -71.5 | -171.3 | 176.5 | -167.3 | -1.5 | 108.1 | D724 | D724-R726 PolarHBondContact O-N 2.88Š|
| 727 | Q | 31.8 | Very low | 28.5 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | -78.5 | 135.7 | 170.3 | -71 | 169 | -67.4 | 0 | 0 | 109 | | |
| 728 | L | 29.5 | Very low | 28.4 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | -126.2 | 159.5 | 153.8 | -115.8 | 81.9 | 0 | 0 | 0 | 107.4 | | |
| 729 | P | 26.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | | | trans | -73.9 | 159.3 | -165.9 | 30.2 | -35.5 | 0 | 0 | 0 | 113.5 | | |
| 730 | A | 38.8 | Very low | 28.5 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 95% | 0.95 | 76% | 0.762 | S | S | * | * | | | trans | -78.4 | 122.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 731 | G | 30.3 | Very low | 28.8 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | 178.5 | 134.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 732 | S | 28.2 | Very low | 28.7 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | 62.7 | 149.5 | -166 | -148.1 | 0 | 0 | 0 | 0 | 115.6 | D734 | S732-D734 VanDerWaalsContact CB-OD1 3.3Å; S732-D734 WeakPolarHBondContact CB-OD1 3.42Å; S732-D734 PolarHBondContact OG-OD1 3.2Å |
| 733 | L | 36.2 | Very low | 29 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | trans | -121 | 70 | 177.9 | -169.3 | 106.3 | 0 | 0 | 0 | 108.8 | D735 | L733-D735 PolarHBondContact O-N 3.44Š|
| 734 | D | 27.7 | Very low | 28.8 | Very low | 116 Ų | 116 | 136 Ų | 136 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | | | trans | -79.7 | 106.6 | -174.4 | -60.2 | -5.8 | 0 | 0 | 0 | 110.1 | S732 C736 | S732-D734 VanDerWaalsContact CB-OD1 3.3Å; S732-D734 WeakPolarHBondContact CB-OD1 3.42Å; S732-D734 PolarHBondContact OG-OD1 3.2Å; D734-C736 PolarHBondContact O-N 3.04Å |
| 735 | D | 27 | Very low | 29.3 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | | | trans | -72.4 | 53.3 | 177.7 | -99 | -24.2 | 0 | 0 | 0 | 112.4 | L733 T737 | L733-D735 PolarHBondContact O-N 3.44Å; D735-T737 PolarHBondContact O-N 3.48Å; D735-T737 PolarHBondContact O-OG1 2.98Å |
| 736 | C | 25.9 | Very low | 29.7 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | | | trans | -65.5 | 91.4 | -178.5 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | D734 V738 | D734-C736 PolarHBondContact O-N 3.04Å; C736-V738 PolarHBondContact O-N 3Å; C736-V738 VanDerWaalsContact O-N 3.11Å |
| 737 | T | 25.1 | Very low | 29.8 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | | | trans | -77.3 | 96 | 179.4 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | D735 I739 | D735-T737 PolarHBondContact O-N 3.48Å; D735-T737 PolarHBondContact O-OG1 2.98Å; T737-I739 PolarHBondContact O-N 2.91Å |
| 738 | V | 26.3 | Very low | 29.9 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | | | trans | -74.4 | 121.1 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | C736 Y740 | C736-V738 PolarHBondContact O-N 3Å; C736-V738 VanDerWaalsContact O-N 3.11Å; V738-Y740 HydrophobicContact CB-CE2 4.07Å; V738-Y740 HydrophobicContact CG1-CD2 4.17Å; V738-Y740 HydrophobicContact CG1-CE1 4.44Å; V738-Y740 HydrophobicContact CG1-CE2 3.55Å |
| 739 | I | 24.6 | Very low | 30 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 57% | 0.569 | 73% | 0.726 | S | S | * | * | | | trans | -92.8 | 116.9 | -179.6 | -57.2 | 177.5 | 0 | 0 | 0 | 110.6 | T737 | T737-I739 PolarHBondContact O-N 2.91Š|
| 740 | Y | 25.8 | Very low | 30.5 | Very low | 189 Ų | 189 | 125.7 Ų | 125.7 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | | | trans | -104.7 | 117.8 | 170.9 | -65.9 | -83.9 | 0 | 0 | 0 | 111 | V738 M742 | V738-Y740 HydrophobicContact CB-CE2 4.07Å; V738-Y740 HydrophobicContact CG1-CD2 4.17Å; V738-Y740 HydrophobicContact CG1-CE1 4.44Å; V738-Y740 HydrophobicContact CG1-CE2 3.55Å; Y740-M742 PolarHBondContact O-N 3.49Å |
| 741 | P | 27 | Very low | 30.4 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | | | trans | -75.6 | 114.2 | 173.3 | 29.7 | -32.2 | 0 | 0 | 0 | 110.5 | | |
| 742 | M | 25.4 | Very low | 30.7 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 84% | 0.837 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 132.2 | 169.1 | -64.8 | -161 | -58.5 | 0 | 0 | 110.6 | Y740 | Y740-M742 PolarHBondContact O-N 3.49Š|
| 743 | P | 30.2 | Very low | 31.1 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 143.8 | 171.3 | 29.6 | -33.9 | 0 | 0 | 0 | 110.9 | | |
| 744 | L | 32.9 | Very low | 31.2 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 44% | 0.44 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -74 | 157.1 | 169.7 | -65.5 | 176.7 | 0 | 0 | 0 | 110.7 | | |
| 745 | K | 37 | Very low | 31.6 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 81% | 0.809 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 149.6 | 167.3 | -61.7 | -176.4 | 179.8 | -177.2 | 0 | 109.3 | D747 Q748 | K745-D747 PolarHBondContact O-N 3.18Å; K745-Q748 PolarHBondContact O-N 3.11Å |
| 746 | E | 37.7 | Very low | 31.9 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -25.7 | -165 | -87 | 179.9 | 97.9 | 0 | 0 | 115.3 | K790 | E746-K790 IonicContact OE1-NZ 2.73Å; E746-K790 PolarHBondContact OE1-NZ 3.04Å |
| 747 | D | 31.8 | Very low | 32.3 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 12.6 | -169.6 | -43 | -73.7 | 0 | 0 | 0 | 115.3 | K745 L749 | K745-D747 PolarHBondContact O-N 3.18Å; D747-L749 PolarHBondContact O-N 2.84Å; D747-L749 VanDerWaalsContact O-N 3.09Å |
| 748 | Q | 33.6 | Very low | 32.4 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 56% | 0.561 | 68% | 0.682 | S | S | * | * | | | trans | -79.2 | 95.2 | -179.9 | -174.4 | 164.4 | 100 | 0 | 0 | 112.5 | K745 V750 | K745-Q748 PolarHBondContact O-N 3.11Å; Q748-V750 PolarHBondContact O-N 2.97Å |
| 749 | L | 31.5 | Very low | 32.6 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 90% | 0.901 | 68% | 0.677 | S | S | * | * | | | trans | -59.7 | 123.2 | 169.9 | -69.1 | 172.1 | 0 | 0 | 0 | 111.7 | D747 | D747-L749 PolarHBondContact O-N 2.84Å; D747-L749 VanDerWaalsContact O-N 3.09Å |
| 750 | V | 38.1 | Very low | 32.8 | Very low | 56 Ų | 56 | 129.5 Ų | 129.5 | 34% | 0.339 | 68% | 0.675 | S | S | . | * | | | trans | -107.8 | 134.2 | 176.3 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | Q748 M809 | Q748-V750 PolarHBondContact O-N 2.97Å; V750-M809 HydrophobicContact CB-CE 4.13Å; V750-M809 HydrophobicContact CG1-CE 3.53Å; V750-M809 HydrophobicContact CG1-SD 4.04Å |
| 751 | K | 36.8 | Very low | 32.9 | Very low | 169 Ų | 169 | 125.3 Ų | 125.3 | 74% | 0.735 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 139.1 | 176.9 | -70.5 | -167.3 | 173.6 | -167.4 | 0 | 110.6 | | |
| 752 | R | 36.5 | Very low | 32.9 | Very low | 238 Ų | 238 | 125.7 Ų | 125.7 | 90% | 0.898 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 142 | 171.1 | -69.9 | -176.7 | 176.9 | -178.8 | -1.3 | 110 | | |
| 753 | P | 37 | Very low | 32.9 | Very low | 61 Ų | 61 | 124.5 Ų | 124.5 | 40% | 0.396 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 151.1 | 175.4 | 26.7 | -33.8 | 0 | 0 | 0 | 111.7 | Q757 V759 | P753-Q757 HydrophobicContact CB-CB 4.17Å; P753-Q757 HydrophobicContact CB-CG 4.29Å; P753-V759 HydrophobicContact CB-CG2 4.15Å; P753-V759 HydrophobicContact CG-CG2 3.75Å |
| 754 | G | 36.5 | Very low | 32.9 | Very low | 36 Ų | 36 | 125.6 Ų | 125.6 | 37% | 0.371 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 161.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N756 Q757 | G754-N756 PolarHBondContact O-N 3.33Å; G754-Q757 WeakPolarHBondContact O-CB 3.23Å; G754-Q757 PolarHBondContact O-N 2.93Å |
| 755 | P | 37.5 | Very low | 32.7 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -20.9 | -171.4 | 23.5 | -34.6 | 0 | 0 | 0 | 115 | | |
| 756 | N | 32.2 | Very low | 32.3 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 85% | 0.845 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 16.3 | -179.2 | -60 | 10.2 | 0 | 0 | 0 | 112.6 | G754 | G754-N756 PolarHBondContact O-N 3.33Š|
| 757 | Q | 34 | Very low | 31.9 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 49% | 0.486 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -94 | 127 | 179.5 | -171 | 172.8 | 3.2 | 0 | 0 | 109.9 | P753 G754 V759 | P753-Q757 HydrophobicContact CB-CB 4.17Å; P753-Q757 HydrophobicContact CB-CG 4.29Å; G754-Q757 WeakPolarHBondContact O-CB 3.23Å; G754-Q757 PolarHBondContact O-N 2.93Å; Q757-V759 PolarHBondContact O-N 3.25Å |
| 758 | P | 27.6 | Very low | 31.7 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | | | trans | -68.7 | 118.4 | -175.6 | 26.5 | -33.9 | 0 | 0 | 0 | 111.4 | | |
| 759 | V | 30.7 | Very low | 31.5 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 48% | 0.479 | 68% | 0.683 | S | S | . | * | | | trans | -106.1 | 123.1 | 175.9 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | P753 Q757 V761 | P753-V759 HydrophobicContact CB-CG2 4.15Å; P753-V759 HydrophobicContact CG-CG2 3.75Å; Q757-V759 PolarHBondContact O-N 3.25Å; V759-V761 HydrophobicContact CG1-CG2 4.14Å |
| 760 | V | 28.7 | Very low | 31.2 | Very low | 87 Ų | 87 | 125 Ų | 125 | 53% | 0.527 | 68% | 0.679 | S | S | . | * | | | trans | -94.3 | 104 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | L762 | V760-L762 HydrophobicContact CG1-CD2 4.3Å; V760-L762 HydrophobicContact CG1-CG 4.36Å |
| 761 | V | 27.8 | Very low | 31 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 61% | 0.612 | 70% | 0.699 | S | S | * | * | | | trans | -87.5 | 122.2 | 177.5 | -176 | 0 | 0 | 0 | 0 | 109.8 | V759 | V759-V761 HydrophobicContact CG1-CG2 4.14Š|
| 762 | L | 27.3 | Very low | 30.7 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | | | trans | -109.9 | 92.5 | -180 | -68.6 | 175.4 | 0 | 0 | 0 | 110.7 | V760 | V760-L762 HydrophobicContact CG1-CD2 4.3Å; V760-L762 HydrophobicContact CG1-CG 4.36Å |
| 763 | N | 26.3 | Very low | 30.4 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | | | trans | -68.1 | 134.3 | 176.3 | -72.3 | -4.1 | 0 | 0 | 0 | 111.5 | | |
| 764 | H | 28.6 | Very low | 30.1 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | | | trans | -111.1 | 138.8 | 177.4 | -135.7 | -105.6 | 0 | 0 | 0 | 109.4 | R704 | R704-H764 PolarHBondContact NH2-CE1 2.94Å; R704-H764 VanDerWaalsContact NH2-CE1 3.28Å; R704-H764 PolarHBondContact NH2-NE2 3.41Å |
| 765 | P | 29.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 146.2 | -179.7 | 29.4 | -34.5 | 0 | 0 | 0 | 111.9 | | |
| 766 | K | 28.5 | Very low | 29.7 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -60 | 136.3 | -176.5 | -59.2 | -167.5 | -174.7 | -128.1 | 0 | 112.1 | D815 | K766-D815 WeakPolarHBondContact CE-OD2 3.23Å; K766-D815 IonicContact NZ-OD2 2.74Å; K766-D815 PolarHBondContact NZ-OD2 3.44Å |
| 767 | P | 29.5 | Very low | 29.4 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 141.4 | 170.9 | 31.4 | -33.4 | 0 | 0 | 0 | 110.7 | | |
| 768 | R | 27.8 | Very low | 29.4 | Very low | 246 Ų | 246 | 140.2 Ų | 140.2 | 93% | 0.928 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 135.3 | 167.9 | -68.3 | -176.4 | 175.7 | -168.3 | -2.4 | 109.3 | | |
| 769 | A | 29 | Very low | 29.4 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 138.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 770 | C | 25.6 | Very low | 29.4 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 129.5 | 171.5 | -170.1 | 0 | 0 | 0 | 0 | 109 | | |
| 771 | V | 32.8 | Very low | 29.4 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 123.8 | 178.9 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 772 | Q | 31.7 | Very low | 29.6 | Very low | 187 Ų | 187 | 150.4 Ų | 150.4 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -145.7 | 125.9 | 157.2 | -116 | 170.1 | -4.8 | 0 | 0 | 110.4 | | |
| 773 | R | 30.4 | Very low | 29.7 | Very low | 233 Ų | 233 | 147.6 Ų | 147.6 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -101.3 | 129.7 | 176.2 | -73.8 | 175.2 | 170.3 | 152.1 | -6.6 | 109.7 | | |
| 774 | T | 30.5 | Very low | 29.8 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | 176.8 | 145.1 | 149.2 | 28.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 775 | R | 30.9 | Very low | 30 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | cis | -156 | 157.4 | -33.5 | -168.4 | 174.4 | -175.7 | 173.6 | 0.9 | 103.5 | | |
| 776 | A | 33.4 | Very low | 30 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | | | trans | -67.3 | 153.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 777 | D | 27.3 | Very low | 30.3 | Very low | 171 Ų | 171 | 145 Ų | 145 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | | | | -151.2 | 161.4 | 126 | -92.5 | -33.4 | 0 | 0 | 0 | 109.3 | | |
| 778 | S | 34.3 | Very low | 30.2 | Very low | 87 Ų | 87 | 143.9 Ų | 143.9 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | | | trans | -103.1 | 150.2 | -160.4 | 51.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 779 | F | 27.7 | Very low | 30.3 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | | 177.8 | 138.9 | 108 | -102.7 | -74.3 | 0 | 0 | 0 | 114.7 | | |
| 780 | S | 30.7 | Very low | 30.4 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | 33.9 | 103.8 | 151.3 | 59.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 781 | D | 28.2 | Very low | 30.7 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | | 100.5 | 150.8 | 103.1 | -149.8 | 25.8 | 0 | 0 | 0 | 123 | | |
| 782 | M | 31.9 | Very low | 30.9 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | 10.2 | 121.7 | 175.3 | -67.3 | -122.2 | 71.9 | 0 | 0 | 121.4 | | |
| 783 | G | 28.6 | Very low | 31 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | | | trans | 168.2 | 66.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S785 | G783-S785 PolarHBondContact O-N 3.43Š|
| 784 | A | 29.6 | Very low | 31.2 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 88% | 0.884 | 72% | 0.716 | S | S | * | * | | | trans | -70.3 | 96.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 785 | S | 32.2 | Very low | 31.3 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | | | trans | -77.8 | 128.7 | 166 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | G783 V787 | G783-S785 PolarHBondContact O-N 3.43Å; S785-V787 PolarHBondContact O-N 3.04Å |
| 786 | D | 29.7 | Very low | 31.4 | Very low | 151 Ų | 151 | 116 Ų | 116 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | | | trans | -59.4 | 102.1 | 177.9 | -83.8 | -49.6 | 0 | 0 | 0 | 111.9 | T788 | D786-T788 PolarHBondContact O-N 3.09Š|
| 787 | V | 34.6 | Very low | 31.3 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 84% | 0.842 | 67% | 0.673 | S | S | * | * | | | trans | -75.8 | 75.3 | 174.6 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | S785 | S785-V787 PolarHBondContact O-N 3.04Š|
| 788 | T | 28.1 | Very low | 31.5 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | | | trans | -57.9 | 129.9 | 176.1 | 50 | 0 | 0 | 0 | 0 | 111.1 | D786 K790 | D786-T788 PolarHBondContact O-N 3.09Å; T788-K790 PolarHBondContact O-N 2.6Å |
| 789 | P | 28.4 | Very low | 31.3 | Very low | 93 Ų | 93 | 115.2 Ų | 115.2 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | | | trans | -72 | 99.9 | -175 | 26.6 | -33.6 | 0 | 0 | 0 | 111 | C791 F816 | P789-C791 PolarHBondContact O-N 2.9Å; P789-F816 HydrophobicContact CB-CE1 4.39Å; P789-F816 HydrophobicContact CG-CE1 4Å; P789-F816 HydrophobicContact CG-CZ 4.35Å |
| 790 | K | 32.1 | Very low | 31.6 | Very low | 137 Ų | 137 | 114.4 Ų | 114.4 | 60% | 0.596 | 64% | 0.639 | S | S | * | * | | | trans | -67.7 | 85.5 | 177.3 | -72.4 | -167.1 | 173.4 | -173.4 | 0 | 112.3 | E746 T788 Q792 | E746-K790 IonicContact OE1-NZ 2.73Å; E746-K790 PolarHBondContact OE1-NZ 3.04Å; T788-K790 PolarHBondContact O-N 2.6Å; K790-Q792 PolarHBondContact O-N 3.13Å |
| 791 | C | 32.1 | Very low | 32 | Very low | 66 Ų | 66 | 112.7 Ų | 112.7 | 45% | 0.446 | 64% | 0.638 | S | S | . | * | | | trans | -65 | 122.1 | 163.3 | -75.4 | 0 | 0 | 0 | 0 | 110.5 | P789 I793 | P789-C791 PolarHBondContact O-N 2.9Å; C791-I793 PolarHBondContact O-N 2.92Å |
| 792 | Q | 36.2 | Very low | 32.3 | Very low | 129 Ų | 129 | 113.4 Ų | 113.4 | 60% | 0.603 | 64% | 0.64 | S | S | * | * | | | trans | -87.2 | 107.3 | 173.2 | -72.9 | -178 | -27.8 | 0 | 0 | 109.7 | K790 T812 | K790-Q792 PolarHBondContact O-N 3.13Å; Q792-T812 PolarHBondContact O-OG1 2.81Å; Q792-T812 VanDerWaalsContact O-OG1 3.05Å |
| 793 | I | 33.4 | Very low | 32.7 | Very low | 75 Ų | 75 | 108.4 Ų | 108.4 | 39% | 0.385 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.6 | 174.4 | -56.6 | 178.5 | 0 | 0 | 0 | 108.4 | C791 M809 | C791-I793 PolarHBondContact O-N 2.92Å; I793-M809 HydrophobicContact CG2-CE 3.91Å |
| 794 | L | 34.8 | Very low | 33 | Very low | 113 Ų | 113 | 111.1 Ų | 111.1 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 110.4 | 177.9 | -72.7 | 172.9 | 0 | 0 | 0 | 109.8 | G810 | L794-G810 PolarHBondContact N-O 3.46Å; L794-G810 PolarHBondContact O-N 3.28Å; L794-G810 VanDerWaalsContact O-N 3.1Å; L794-G810 VanDerWaalsContact O-O 3.12Å |
| 795 | K | 32.8 | Very low | 33.1 | Very low | 81 Ų | 81 | 110.3 Ų | 110.3 | 35% | 0.352 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 108.1 | 179.6 | 179.8 | 162.6 | 172.3 | 156 | 0 | 110.2 | E807 M809 | K795-E807 WeakPolarHBondContact CE-OE1 3.45Å; K795-E807 WeakPolarHBondContact CE-OE2 3.43Å; K795-E807 IonicContact NZ-OE1 2.73Å; K795-E807 PolarHBondContact NZ-OE1 3.24Å; K795-E807 IonicContact NZ-OE2 3.46Å; K795-E807 PolarHBondContact NZ-OE2 3.3Å; K795-M809 HydrophobicContact CD-SD 4.37Å; K795-M809 HydrophobicContact CG-SD 4.43Å |
| 796 | M | 33.7 | Very low | 33.1 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 115 | 174.9 | -71 | -174.6 | 69.5 | 0 | 0 | 110.1 | V808 | M796-V808 PolarHBondContact N-O 3.45Å; M796-V808 PolarHBondContact O-N 3.41Å |
| 797 | R | 31.8 | Very low | 33.3 | Very low | 179 Ų | 179 | 110.5 Ų | 110.5 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 111.4 | 173.8 | -173.7 | 176.9 | -176.2 | 176.1 | 0.9 | 109 | | |
| 798 | L | 30.1 | Very low | 33.2 | Very low | 82 Ų | 82 | 106.2 Ų | 106.2 | 43% | 0.429 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 126.2 | 175.5 | -67.9 | 175.2 | 0 | 0 | 0 | 110 | Y806 V808 | L798-Y806 PolarHBondContact N-O 2.88Å; L798-V808 HydrophobicContact CD1-CG2 4.02Å |
| 799 | S | 30.4 | Very low | 33.4 | Very low | 69 Ų | 69 | 103.2 Ų | 103.2 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | | | trans | -131.7 | 108.2 | 172.7 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 800 | K | 33.3 | Very low | 33.6 | Very low | 170 Ų | 170 | 99.9 Ų | 99.9 | 74% | 0.739 | 53% | 0.527 | S | S | * | . | | | trans | -101.5 | 155.9 | 156.5 | -167.4 | 162.5 | -176 | 169.4 | 0 | 107.5 | E206 | E206-K800 IonicContact OE1-NZ 3.5Å; E206-K800 PolarHBondContact OE1-NZ 3.36Å |
| 801 | G | 39.1 | Very low | 33.5 | Very low | 66 Ų | 66 | 96.6 Ų | 96.6 | 68% | 0.68 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -58.2 | 156.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 802 | I | 36.2 | Very low | 33.5 | Very low | 167 Ų | 167 | 96.7 Ų | 96.7 | 86% | 0.856 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 69.6 | 81.6 | 175.4 | -44.6 | 177.9 | 0 | 0 | 0 | 114.8 | | |
| 803 | G | 39 | Very low | 33.3 | Very low | 60 Ų | 60 | 95.7 Ų | 95.7 | 62% | 0.619 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 108.6 | -26.2 | 133.7 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 804 | Q | 36.3 | Very low | 33 | Very low | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | | | trans | -139.4 | 129.4 | 176.2 | -63.9 | -168.8 | 15.9 | 0 | 0 | 112.2 | Y806 | Q804-Y806 HydrophobicContact CB-CE2 4.02Å; Q804-Y806 PolarHBondContact OE1-OH 3.38Å |
| 805 | S | 29.8 | Very low | 32.9 | Very low | 90 Ų | 90 | 100 Ų | 100 | 63% | 0.629 | 53% | 0.534 | S | S | * | . | | | trans | -96.9 | 117.5 | 173.4 | 58.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 806 | Y | 33.7 | Very low | 32.5 | Very low | 154 Ų | 154 | 102.8 Ų | 102.8 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129 | 176 | -65.7 | -84.9 | 0 | 0 | 0 | 110.7 | L798 Q804 | L798-Y806 PolarHBondContact N-O 2.88Å; Q804-Y806 HydrophobicContact CB-CE2 4.02Å; Q804-Y806 PolarHBondContact OE1-OH 3.38Å |
| 807 | E | 33.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 106.4 Ų | 106.4 | 49% | 0.486 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 106 | 178.4 | -174.8 | 161.7 | -83.2 | 0 | 0 | 109.4 | K795 | K795-E807 WeakPolarHBondContact CE-OE1 3.45Å; K795-E807 WeakPolarHBondContact CE-OE2 3.43Å; K795-E807 IonicContact NZ-OE1 2.73Å; K795-E807 PolarHBondContact NZ-OE1 3.24Å; K795-E807 IonicContact NZ-OE2 3.46Å; K795-E807 PolarHBondContact NZ-OE2 3.3Å |
| 808 | V | 33.1 | Very low | 32.8 | Very low | 50 Ų | 50 | 102.8 Ų | 102.8 | 30% | 0.303 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 111 | -175.6 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | M796 L798 | M796-V808 PolarHBondContact N-O 3.45Å; M796-V808 PolarHBondContact O-N 3.41Å; L798-V808 HydrophobicContact CD1-CG2 4.02Å |
| 809 | M | 31 | Very low | 33 | Very low | 36 Ų | 36 | 103.9 Ų | 103.9 | 18% | 0.177 | 58% | 0.582 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 108.4 | 178.1 | -75.9 | -74.2 | -71.2 | 0 | 0 | 110.2 | V750 I793 K795 | V750-M809 HydrophobicContact CB-CE 4.13Å; V750-M809 HydrophobicContact CG1-CE 3.53Å; V750-M809 HydrophobicContact CG1-SD 4.04Å; I793-M809 HydrophobicContact CG2-CE 3.91Å; K795-M809 HydrophobicContact CD-SD 4.37Å; K795-M809 HydrophobicContact CG-SD 4.43Å |
| 810 | G | 32.3 | Very low | 33.1 | Very low | 23 Ų | 23 | 105.8 Ų | 105.8 | 24% | 0.237 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L794 | L794-G810 PolarHBondContact N-O 3.46Å; L794-G810 PolarHBondContact O-N 3.28Å; L794-G810 VanDerWaalsContact O-N 3.1Å; L794-G810 VanDerWaalsContact O-O 3.12Å |
| 811 | C | 31.6 | Very low | 33.1 | Very low | 68 Ų | 68 | 102.1 Ų | 102.1 | 46% | 0.459 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.3 | 169.9 | -69.6 | 0 | 0 | 0 | 0 | 109.9 | V813 | C811-V813 PolarHBondContact O-N 2.85Å |
| 812 | T | 32 | Very low | 32.8 | Very low | 67 Ų | 67 | 104.3 Ų | 104.3 | 41% | 0.411 | 57% | 0.572 | S | S | . | * | | | trans | -85.6 | 106.4 | 162.9 | 50.8 | 0 | 0 | 0 | 0 | 108.5 | Q792 | Q792-T812 PolarHBondContact O-OG1 2.81Å; Q792-T812 VanDerWaalsContact O-OG1 3.05Å |
| 813 | V | 30.2 | Very low | 32.5 | Very low | 109 Ų | 109 | 100.1 Ų | 100.1 | 66% | 0.661 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 128.1 | 170.1 | -179 | 0 | 0 | 0 | 0 | 107.7 | C811 | C811-V813 PolarHBondContact O-N 2.85Š|
| 814 | R | 29.1 | Very low | 32.1 | Very low | 164 Ų | 164 | 103 Ų | 103 | 62% | 0.619 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 140.6 | 159.4 | -70.9 | -176.9 | 175.5 | -171.9 | -1 | 107.6 | F816 | R814-F816 PolarHBondContact O-N 3.1Š|
| 815 | D | 31.8 | Very low | 31.7 | Very low | 113 Ų | 113 | 101 Ų | 101 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 131.8 | 172.1 | -68.3 | -14.4 | 0 | 0 | 0 | 109.2 | K766 | K766-D815 WeakPolarHBondContact CE-OD2 3.23Å; K766-D815 IonicContact NZ-OD2 2.74Å; K766-D815 PolarHBondContact NZ-OD2 3.44Å |
| 816 | F | 25.3 | Very low | 31.9 | Very low | 141 Ų | 141 | 101.9 Ų | 101.9 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -83.6 | 146.4 | 166.9 | -76.6 | -104.2 | 0 | 0 | 0 | 108.6 | P789 R814 | P789-F816 HydrophobicContact CB-CE1 4.39Å; P789-F816 HydrophobicContact CG-CE1 4Å; P789-F816 HydrophobicContact CG-CZ 4.35Å; R814-F816 PolarHBondContact O-N 3.1Å |
| 817 | P | 39 | Very low | 31.7 | Very low | 194 Ų | 194 | 97.2 Ų | 97.2 | 100% | 1.26 | 53% | 0.531 | S | S | * | . | | | trans | -70.1 | 0 | 172.4 | 32.9 | -35.5 | 0 | 0 | 0 | 111.9 | | |