| 1 | M | 34.7 | Very low | 33.9 | Very low | 221 Ų | 221 | 136.5 Ų | 136.5 | 100% | 1.089 | 80% | 0.795 | S | S | * | * | | | | 0 | 137.2 | 0 | -81.9 | -62.1 | -175.1 | 0 | 0 | 107.5 | V3 | M1-V3 HydrophobicContact SD-CG2 4.25Š|
| 2 | P | 42.4 | Very low | 34.2 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | cis | -77.9 | 164.1 | -8.1 | -10.7 | 31.1 | 0 | 0 | 0 | 112 | | |
| 3 | V | 34.4 | Very low | 33.8 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | | | | 73.7 | 129.5 | 60.3 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | M1 | M1-V3 HydrophobicContact SD-CG2 4.25Š|
| 4 | R | 35.6 | Very low | 33.6 | Very low | 239 Ų | 239 | 141.1 Ų | 141.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | cis | -144.6 | 155.1 | 0.1 | -123.8 | 160.4 | -165.3 | -169.2 | 3.1 | 107.2 | | |
| 5 | G | 32.7 | Very low | 33.4 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | | 104.5 | 126.6 | 63.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 6 | A | 32 | Very low | 33.8 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | | | cis | 119.7 | 97.5 | 14.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 7 | A | 34.3 | Very low | 33.8 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -172.8 | 127.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 8 | V | 30.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | | | cis | 60.2 | 105.4 | 16.6 | -169.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 9 | Q | 30.8 | Very low | 33.6 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | | -166.8 | -175.3 | 60.5 | -132.6 | 156.7 | 57.5 | 0 | 0 | 108 | | |
| 10 | A | 30.8 | Very low | 33.5 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | cis | -147.4 | 170.8 | 6.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 11 | K | 34.5 | Very low | 33.5 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 68% | 0.683 | 79% | 0.787 | S | S | * | * | | | trans | -111.7 | 119 | 179.8 | -177.2 | -171 | -170.8 | -166.5 | 0 | 109.1 | Y13 | K11-Y13 HydrophobicContact CD-CE2 4.04Å; K11-Y13 VanDerWaalsContact CE-OH 3.22Å; K11-Y13 WeakPolarHBondContact CE-OH 3.22Å; K11-Y13 HydrophobicContact CG-CE2 4.28Å; K11-Y13 PolarHBondContact NZ-OH 3.33Å |
| 12 | I | 37.6 | Very low | 33.6 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -127.6 | 126.8 | 172 | -60.3 | -178.1 | 0 | 0 | 0 | 108.8 | | |
| 13 | Y | 28.3 | Very low | 33.1 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 62% | 0.624 | 77% | 0.769 | S | S | * | * | | | trans | -92.2 | 151.6 | 170 | -66.7 | -101.5 | 0 | 0 | 0 | 109.2 | K11 | K11-Y13 HydrophobicContact CD-CE2 4.04Å; K11-Y13 VanDerWaalsContact CE-OH 3.22Å; K11-Y13 WeakPolarHBondContact CE-OH 3.22Å; K11-Y13 HydrophobicContact CG-CE2 4.28Å; K11-Y13 PolarHBondContact NZ-OH 3.33Å |
| 14 | N | 31 | Very low | 33.1 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | | 173.6 | 131.6 | 108.9 | -85.1 | -27.5 | 0 | 0 | 0 | 112.9 | | |
| 15 | S | 30.8 | Very low | 33.4 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 22.2 | 145.5 | 148.3 | 51.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 16 | P | 40.3 | Very low | 33.5 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | -77.5 | 160.2 | -174.6 | 35 | -37.8 | 0 | 0 | 0 | 113.8 | | |
| 17 | L | 34 | Very low | 33.8 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | -119.5 | 112.4 | 157.5 | -169.1 | 70.4 | 0 | 0 | 0 | 109.6 | | |
| 18 | E | 30.5 | Very low | 33.9 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | | | trans | -68.5 | 128.1 | 174.1 | -179.2 | 175.7 | -173.9 | 0 | 0 | 110.4 | | |
| 19 | N | 33.3 | Very low | 34.4 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | -142.5 | 102.9 | 167.7 | -87.7 | -68.8 | 0 | 0 | 0 | 109.1 | | |
| 20 | H | 32.4 | Very low | 34.9 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | trans | -84.9 | 114.5 | 178.4 | -171.3 | -77.9 | 0 | 0 | 0 | 109.3 | | |
| 21 | L | 33.3 | Very low | 35.2 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | -136.1 | 110.5 | 174 | -146.6 | 159.2 | 0 | 0 | 0 | 109.9 | | |
| 22 | V | 35.2 | Very low | 35.3 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | trans | -83.8 | 117.4 | 171.8 | 173.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 23 | D | 32.2 | Very low | 35.3 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -154.6 | 166.2 | 135.6 | -131.6 | -33 | 0 | 0 | 0 | 114.3 | | |
| 24 | S | 35 | Very low | 36.5 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | | | trans | -66.6 | 167.9 | -165.4 | 177 | 0 | 0 | 0 | 0 | 116.6 | | |
| 25 | T | 40.8 | Very low | 37.1 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | 88.8 | 79.9 | 147.6 | -17.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 26 | F | 36 | Very low | 37.7 | Very low | 210 Ų | 210 | 149.3 Ų | 149.3 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -136.3 | 112.9 | 147.8 | -87.5 | -71.1 | 0 | 0 | 0 | 113.8 | | |
| 27 | V | 37.7 | Very low | 37.7 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -4 | 125.3 | 161.5 | -173.2 | 0 | 0 | 0 | 0 | 117.4 | K29 | V27-K29 PolarHBondContact O-N 3.01Š|
| 28 | P | 36.7 | Very low | 38.4 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 127.5 | 165.3 | -19.5 | 32 | 0 | 0 | 0 | 111.4 | | |
| 29 | K | 41.7 | Very low | 39.2 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58 | 144.3 | 164.1 | -95.2 | 179.4 | 173.9 | 174.9 | 0 | 109.3 | V27 A31 | V27-K29 PolarHBondContact O-N 3.01Å; K29-A31 PolarHBondContact O-N 2.85Å; K29-A31 VanDerWaalsContact O-N 3.12Å |
| 30 | P | 41.8 | Very low | 40.3 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120.4 | 173.8 | 25.8 | -33.5 | 0 | 0 | 0 | 109.1 | V32 | P30-V32 PolarHBondContact O-N 3.09Š|
| 31 | A | 37.1 | Very low | 41.8 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | K29 M33 | K29-A31 PolarHBondContact O-N 2.85Å; K29-A31 VanDerWaalsContact O-N 3.12Å; A31-M33 PolarHBondContact O-N 2.99Å |
| 32 | V | 36.5 | Very low | 43.3 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -67 | 104.3 | 171.1 | 175.9 | 0 | 0 | 0 | 0 | 106.6 | P30 R34 | P30-V32 PolarHBondContact O-N 3.09Å; V32-R34 HydrophobicContact CG1-CG 4.43Å; V32-R34 PolarHBondContact O-N 3.3Å |
| 33 | M | 37.3 | Very low | 44.6 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | -57.4 | 102.2 | 165.6 | -74.1 | 170.9 | 57.7 | 0 | 0 | 107.7 | A31 | A31-M33 PolarHBondContact O-N 2.99Š|
| 34 | R | 52.1 | Low | 46.4 | Very low | 230 Ų | 230 | 137.3 Ų | 137.3 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | | | trans | -88.9 | 128.7 | 151.9 | -70.8 | -164.1 | 173.2 | -143.8 | -2 | 106.2 | V32 | V32-R34 HydrophobicContact CG1-CG 4.43Å; V32-R34 PolarHBondContact O-N 3.3Å |
| 35 | E | 45.5 | Very low | 48 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | | | trans | -63.8 | 153.1 | -172.3 | -71.3 | 145.8 | 118.9 | 0 | 0 | 112.1 | S37 | E35-S37 PolarHBondContact O-N 2.81Š|
| 36 | E | 43.2 | Very low | 49.5 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 89% | 0.888 | 73% | 0.731 | S | S | * | * | | | trans | -67.5 | 89.9 | -177.7 | -174.6 | 170.9 | -151.8 | 0 | 0 | 110.6 | G38 | E36-G38 PolarHBondContact O-N 3.23Š|
| 37 | S | 38.8 | Very low | 51.3 | Low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | | | trans | -68.9 | 85.2 | 162.7 | 172.1 | 0 | 0 | 0 | 0 | 108.4 | E35 M39 | E35-S37 PolarHBondContact O-N 2.81Å; S37-M39 VanDerWaalsContact C-N 3.3Å; S37-M39 PolarHBondContact O-N 2.97Å |
| 38 | G | 49.3 | Very low | 53.3 | Low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | | | trans | -62.6 | 77.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E36 | E36-G38 PolarHBondContact O-N 3.23Š|
| 39 | M | 47 | Very low | 55.4 | Low | 147 Ų | 147 | 125.6 Ų | 125.6 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | | | trans | -142.9 | 135 | 157.4 | -87.8 | -63.1 | -65.1 | 0 | 0 | 107.5 | S37 | S37-M39 VanDerWaalsContact C-N 3.3Å; S37-M39 PolarHBondContact O-N 2.97Å |
| 40 | P | 55.8 | Low | 57.4 | Low | 78 Ų | 78 | 121.3 Ų | 121.3 | 51% | 0.506 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 153 | 159.8 | 29.7 | -34.1 | 0 | 0 | 0 | 108.6 | | |
| 41 | P | 63.9 | Low | 59.7 | Low | 110 Ų | 110 | 121.3 Ų | 121.3 | 71% | 0.714 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 142.2 | 166 | 26.1 | -33.9 | 0 | 0 | 0 | 108.4 | W43 | P41-W43 PolarHBondContact O-N 3.19Š|
| 42 | P | 65.9 | Low | 62.1 | Low | 107 Ų | 107 | 123 Ų | 123 | 70% | 0.695 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 129.5 | 174.5 | 25.6 | -33.5 | 0 | 0 | 0 | 107.7 | D44 | P42-D44 PolarHBondContact O-N 3.03Š|
| 43 | W | 62.2 | Low | 64.7 | Low | 202 Ų | 202 | 122.6 Ų | 122.6 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | | | trans | -59.5 | 112.3 | 175.5 | -63.9 | 78 | 0 | 0 | 0 | 106.9 | P41 A45 L48 | P41-W43 PolarHBondContact O-N 3.19Å; W43-A45 VanDerWaalsContact C-N 3.35Å; W43-A45 PolarHBondContact O-N 3.29Å; W43-L48 HydrophobicContact CB-CD1 4.17Å; W43-L48 HydrophobicContact CE3-CD1 4.38Å |
| 44 | D | 70.2 | Confident | 67.3 | Low | 101 Ų | 101 | 120.5 Ų | 120.5 | 54% | 0.54 | 63% | 0.627 | S | S | . | * | | | trans | -61.3 | 99.7 | 179.2 | -74.9 | -45.9 | 0 | 0 | 0 | 107.5 | P42 S46 L47 L48 | P42-D44 PolarHBondContact O-N 3.03Å; D44-S46 PolarHBondContact O-N 3.36Å; D44-S46 VanDerWaalsContact O-N 3.11Å; D44-L47 HydrophobicContact CB-CB 4.31Å; D44-L47 HydrophobicContact CB-CD1 3.94Å; D44-L47 HydrophobicContact CB-CG 3.84Å; D44-L47 WeakPolarHBondContact O-CB 3.48Å; D44-L47 PolarHBondContact O-N 2.96Å; D44-L48 PolarHBondContact O-N 3.21Å |
| 45 | A | 69.3 | Low | 69.3 | Low | 54 Ų | 54 | 114.2 Ų | 114.2 | 45% | 0.446 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -57.5 | -33.1 | -172 | 0 | 0 | 0 | 0 | 0 | 111.4 | W43 L47 L48 E49 | W43-A45 VanDerWaalsContact C-N 3.35Å; W43-A45 PolarHBondContact O-N 3.29Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 PolarHBondContact O-N 3Å; A45-L48 PolarHBondContact O-N 2.95Å; A45-E49 WeakPolarHBondContact O-CB 3.39Å; A45-E49 VanDerWaalsContact O-CG 3.27Å; A45-E49 WeakPolarHBondContact O-CG 3.23Å; A45-E49 PolarHBondContact O-N 2.9Å |
| 46 | S | 70.8 | Confident | 71.6 | Confident | 66 Ų | 66 | 109.4 Ų | 109.4 | 46% | 0.462 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.7 | -29.4 | 172.7 | 54 | 0 | 0 | 0 | 0 | 114.2 | D44 N50 | D44-S46 PolarHBondContact O-N 3.36Å; D44-S46 VanDerWaalsContact O-N 3.11Å; S46-N50 VanDerWaalsContact O-CB 3.23Å; S46-N50 WeakPolarHBondContact O-CB 3.02Å; S46-N50 PolarHBondContact O-N 3.02Å; S46-N50 PolarHBondContact O-ND2 3.17Å |
| 47 | L | 75.1 | Confident | 74 | Confident | 97 Ų | 97 | 105.9 Ų | 105.9 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.8 | -44.7 | 172.2 | -65.4 | -177.4 | 0 | 0 | 0 | 110.9 | D44 A45 N50 E51 | D44-L47 HydrophobicContact CB-CB 4.31Å; D44-L47 HydrophobicContact CB-CD1 3.94Å; D44-L47 HydrophobicContact CB-CG 3.84Å; D44-L47 WeakPolarHBondContact O-CB 3.48Å; D44-L47 PolarHBondContact O-N 2.96Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 PolarHBondContact O-N 3Å; L47-N50 PolarHBondContact O-N 3.38Å; L47-E51 WeakPolarHBondContact O-CB 3.22Å; L47-E51 WeakPolarHBondContact O-CG 3.27Å; L47-E51 PolarHBondContact O-N 3.35Å |
| 48 | L | 78.8 | Confident | 76.6 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.3 | -38.2 | 176.6 | -67 | 172.3 | 0 | 0 | 0 | 112.1 | W43 D44 A45 F52 | W43-L48 HydrophobicContact CB-CD1 4.17Å; W43-L48 HydrophobicContact CE3-CD1 4.38Å; D44-L48 PolarHBondContact O-N 3.21Å; A45-L48 PolarHBondContact O-N 2.95Å; L48-F52 VanDerWaalsContact O-CB 3.26Å; L48-F52 WeakPolarHBondContact O-CB 3.27Å; L48-F52 PolarHBondContact O-N 2.88Å |
| 49 | E | 81.2 | Confident | 78.8 | Confident | 110 Ų | 110 | 106.5 Ų | 106.5 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.1 | -46.8 | 172.6 | -74 | 165.6 | -164.9 | 0 | 0 | 111.2 | A45 F52 F53 | A45-E49 WeakPolarHBondContact O-CB 3.39Å; A45-E49 VanDerWaalsContact O-CG 3.27Å; A45-E49 WeakPolarHBondContact O-CG 3.23Å; A45-E49 PolarHBondContact O-N 2.9Å; E49-F52 PolarHBondContact O-N 3.48Å; E49-F53 HydrophobicContact CB-CE2 4.28Å; E49-F53 WeakPolarHBondContact O-CD2 3.45Å; E49-F53 PolarHBondContact O-N 3.43Å |
| 50 | N | 83.9 | Confident | 81.1 | Confident | 103 Ų | 103 | 104.6 Ų | 104.6 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.7 | -42.1 | 176.5 | -75.9 | -35.9 | 0 | 0 | 0 | 112.3 | S46 L47 F52 Q54 | S46-N50 VanDerWaalsContact O-CB 3.23Å; S46-N50 WeakPolarHBondContact O-CB 3.02Å; S46-N50 PolarHBondContact O-N 3.02Å; S46-N50 PolarHBondContact O-ND2 3.17Å; L47-N50 PolarHBondContact O-N 3.38Å; N50-F52 VanDerWaalsContact C-N 3.35Å; N50-Q54 VanDerWaalsContact O-CB 3.22Å; N50-Q54 WeakPolarHBondContact O-CB 3.22Å; N50-Q54 PolarHBondContact O-N 3.42Å |
| 51 | E | 89.4 | Confident | 82.8 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 173.6 | -76 | -179.4 | -168.2 | 0 | 0 | 111.5 | L47 Q54 V55 | L47-E51 WeakPolarHBondContact O-CB 3.22Å; L47-E51 WeakPolarHBondContact O-CG 3.27Å; L47-E51 PolarHBondContact O-N 3.35Å; E51-Q54 PolarHBondContact O-N 3.13Å; E51-V55 WeakPolarHBondContact O-CB 3.44Å; E51-V55 VanDerWaalsContact O-CG2 3.28Å; E51-V55 WeakPolarHBondContact O-CG2 3.45Å; E51-V55 PolarHBondContact O-N 2.93Å |
| 52 | F | 88.7 | Confident | 84.1 | Confident | 126 Ų | 126 | 103.7 Ų | 103.7 | 55% | 0.553 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64 | -48.5 | 176.9 | 178.7 | -103.4 | 0 | 0 | 0 | 112.4 | L48 E49 N50 V55 L56 | L48-F52 VanDerWaalsContact O-CB 3.26Å; L48-F52 WeakPolarHBondContact O-CB 3.27Å; L48-F52 PolarHBondContact O-N 2.88Å; E49-F52 PolarHBondContact O-N 3.48Å; N50-F52 VanDerWaalsContact C-N 3.35Å; F52-V55 PolarHBondContact O-N 3.3Å; F52-L56 HydrophobicContact CD1-CD1 4.08Å; F52-L56 HydrophobicContact CE1-CD1 3.57Å; F52-L56 HydrophobicContact CE1-CG 4.48Å; F52-L56 HydrophobicContact CZ-CD1 3.84Å; F52-L56 HydrophobicContact CZ-CG 4.45Å; F52-L56 WeakPolarHBondContact O-CG 3.42Å; F52-L56 PolarHBondContact O-N 3.14Å; F52-L56 VanDerWaalsContact O-N 3.09Å |
| 53 | F | 90.4 | Very high | 85.3 | Confident | 116 Ų | 116 | 102.7 Ų | 102.7 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 175 | -69.4 | -59.1 | 0 | 0 | 0 | 111.7 | E49 V55 L56 D57 | E49-F53 HydrophobicContact CB-CE2 4.28Å; E49-F53 WeakPolarHBondContact O-CD2 3.45Å; E49-F53 PolarHBondContact O-N 3.43Å; F53-V55 VanDerWaalsContact C-N 3.34Å; F53-V55 PolarHBondContact O-N 3.07Å; F53-L56 PolarHBondContact O-N 2.93Å; F53-L56 VanDerWaalsContact O-N 3.17Å; F53-D57 PolarHBondContact O-N 2.85Å |
| 54 | Q | 91.6 | Very high | 86.4 | Confident | 128 Ų | 128 | 95.5 Ų | 95.5 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -42.1 | 176 | -174.7 | 171.8 | 8 | 0 | 0 | 111.7 | N50 E51 L56 D57 D58 | N50-Q54 VanDerWaalsContact O-CB 3.22Å; N50-Q54 WeakPolarHBondContact O-CB 3.22Å; N50-Q54 PolarHBondContact O-N 3.42Å; E51-Q54 PolarHBondContact O-N 3.13Å; Q54-L56 VanDerWaalsContact C-N 3.31Å; Q54-L56 PolarHBondContact O-N 2.81Å; Q54-D57 PolarHBondContact O-N 2.98Å; Q54-D58 WeakPolarHBondContact O-CB 3.4Å; Q54-D58 PolarHBondContact O-N 2.89Å |
| 55 | V | 94.3 | Very high | 87.1 | Confident | 98 Ų | 98 | 97.1 Ų | 97.1 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -32.1 | 176.7 | 166.5 | 0 | 0 | 0 | 0 | 112.4 | E51 F52 F53 L59 | E51-V55 WeakPolarHBondContact O-CB 3.44Å; E51-V55 VanDerWaalsContact O-CG2 3.28Å; E51-V55 WeakPolarHBondContact O-CG2 3.45Å; E51-V55 PolarHBondContact O-N 2.93Å; F52-V55 PolarHBondContact O-N 3.3Å; F53-V55 VanDerWaalsContact C-N 3.34Å; F53-V55 PolarHBondContact O-N 3.07Å; V55-L59 WeakPolarHBondContact O-CB 3.41Å; V55-L59 PolarHBondContact O-N 2.85Å; V55-L59 VanDerWaalsContact O-N 3.1Å |
| 56 | L | 94.2 | Very high | 87.7 | Confident | 76 Ų | 76 | 101.3 Ų | 101.3 | 40% | 0.398 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.3 | -45.7 | 173.5 | -69.3 | 175.5 | 0 | 0 | 0 | 112 | F52 F53 Q54 D58 L59 D60 | F52-L56 HydrophobicContact CD1-CD1 4.08Å; F52-L56 HydrophobicContact CE1-CD1 3.57Å; F52-L56 HydrophobicContact CE1-CG 4.48Å; F52-L56 HydrophobicContact CZ-CD1 3.84Å; F52-L56 HydrophobicContact CZ-CG 4.45Å; F52-L56 WeakPolarHBondContact O-CG 3.42Å; F52-L56 PolarHBondContact O-N 3.14Å; F52-L56 VanDerWaalsContact O-N 3.09Å; F53-L56 PolarHBondContact O-N 2.93Å; F53-L56 VanDerWaalsContact O-N 3.17Å; Q54-L56 VanDerWaalsContact C-N 3.31Å; Q54-L56 PolarHBondContact O-N 2.81Å; L56-D58 VanDerWaalsContact C-N 3.31Å; L56-D58 PolarHBondContact O-N 3.23Å; L56-L59 WeakPolarHBondContact O-CB 3.47Å; L56-L59 PolarHBondContact O-N 3.2Å; L56-D60 PolarHBondContact O-N 3.37Å |
| 57 | D | 92.9 | Very high | 88 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -39.5 | 174.6 | -74.3 | -7 | 0 | 0 | 0 | 111.4 | F53 Q54 L59 S61 | F53-D57 PolarHBondContact O-N 2.85Å; Q54-D57 PolarHBondContact O-N 2.98Å; D57-L59 PolarHBondContact O-N 2.88Å; D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.34Å; D57-S61 PolarHBondContact O-N 3.42Å; D57-S61 PolarHBondContact O-OG 3.43Å |
| 58 | D | 94.6 | Very high | 87.8 | Confident | 82 Ų | 82 | 103.2 Ų | 103.2 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66 | -22.6 | 173.9 | -122.7 | 59.7 | 0 | 0 | 0 | 112.2 | Q54 L56 S61 K62 | Q54-D58 WeakPolarHBondContact O-CB 3.4Å; Q54-D58 PolarHBondContact O-N 2.89Å; L56-D58 VanDerWaalsContact C-N 3.31Å; L56-D58 PolarHBondContact O-N 3.23Å; D58-S61 WeakPolarHBondContact CA-OG 3.4Å; D58-S61 PolarHBondContact O-OG 2.88Å; D58-K62 WeakPolarHBondContact O-CD 3.43Å; D58-K62 WeakPolarHBondContact O-CG 3.36Å; D58-K62 PolarHBondContact O-NZ 2.9Å; D58-K62 IonicContact OD2-NZ 3.81Å; D58-K62 PolarHBondContact OD2-NZ 2.97Å |
| 59 | L | 94.9 | Very high | 87.1 | Confident | 111 Ų | 111 | 101.9 Ų | 101.9 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -87.2 | -44.6 | 176.9 | -176.8 | 62.8 | 0 | 0 | 0 | 111.7 | V55 L56 D57 K62 L63 | V55-L59 WeakPolarHBondContact O-CB 3.41Å; V55-L59 PolarHBondContact O-N 2.85Å; V55-L59 VanDerWaalsContact O-N 3.1Å; L56-L59 WeakPolarHBondContact O-CB 3.47Å; L56-L59 PolarHBondContact O-N 3.2Å; D57-L59 PolarHBondContact O-N 2.88Å; L59-K62 PolarHBondContact O-N 3.45Å; L59-L63 PolarHBondContact O-N 3Å |
| 60 | D | 94.3 | Very high | 86 | Confident | 107 Ų | 107 | 100.6 Ų | 100.6 | 57% | 0.572 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 177.4 | -172.5 | 64.5 | 0 | 0 | 0 | 111.6 | L56 K62 L63 A64 | L56-D60 PolarHBondContact O-N 3.37Å; D60-K62 VanDerWaalsContact C-N 3.3Å; D60-K62 PolarHBondContact O-N 3.38Å; D60-L63 WeakPolarHBondContact O-CB 3.48Å; D60-L63 PolarHBondContact O-N 3.17Å; D60-L63 VanDerWaalsContact O-N 3.11Å; D60-A64 WeakPolarHBondContact O-CB 3.32Å; D60-A64 PolarHBondContact O-N 3.36Å |
| 61 | S | 91.4 | Very high | 84.5 | Confident | 62 Ų | 62 | 98.9 Ų | 98.9 | 43% | 0.434 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 174.4 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | D57 D58 Q65 | D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.34Å; D57-S61 PolarHBondContact O-N 3.42Å; D57-S61 PolarHBondContact O-OG 3.43Å; D58-S61 WeakPolarHBondContact CA-OG 3.4Å; D58-S61 PolarHBondContact O-OG 2.88Å; S61-Q65 WeakPolarHBondContact O-CB 3.39Å; S61-Q65 PolarHBondContact O-N 3.11Å |
| 62 | K | 92.7 | Very high | 82.8 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 46% | 0.461 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 172.7 | -73 | 177.6 | -166 | 85.3 | 0 | 111.9 | D58 L59 D60 Q65 E66 | D58-K62 WeakPolarHBondContact O-CD 3.43Å; D58-K62 WeakPolarHBondContact O-CG 3.36Å; D58-K62 PolarHBondContact O-NZ 2.9Å; D58-K62 IonicContact OD2-NZ 3.81Å; D58-K62 PolarHBondContact OD2-NZ 2.97Å; L59-K62 PolarHBondContact O-N 3.45Å; D60-K62 VanDerWaalsContact C-N 3.3Å; D60-K62 PolarHBondContact O-N 3.38Å; K62-Q65 WeakPolarHBondContact O-CB 3.26Å; K62-Q65 PolarHBondContact O-N 3.33Å; K62-E66 PolarHBondContact O-N 3.02Å |
| 63 | L | 90 | Very high | 81 | Confident | 87 Ų | 87 | 100.4 Ų | 100.4 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -44.8 | 176.2 | -178.1 | 63.8 | 0 | 0 | 0 | 111.5 | L59 D60 Q65 E66 Q67 | L59-L63 PolarHBondContact O-N 3Å; D60-L63 WeakPolarHBondContact O-CB 3.48Å; D60-L63 PolarHBondContact O-N 3.17Å; D60-L63 VanDerWaalsContact O-N 3.11Å; L63-Q65 VanDerWaalsContact C-N 3.33Å; L63-Q65 PolarHBondContact O-N 2.96Å; L63-E66 PolarHBondContact O-N 3.33Å; L63-Q67 WeakPolarHBondContact O-CG 3.43Å; L63-Q67 PolarHBondContact O-N 2.7Å |
| 64 | A | 85.7 | Confident | 79 | Confident | 51 Ų | 51 | 99.8 Ų | 99.8 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.9 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D60 S68 | D60-A64 WeakPolarHBondContact O-CB 3.32Å; D60-A64 PolarHBondContact O-N 3.36Å; A64-S68 WeakPolarHBondContact O-CB 3.33Å; A64-S68 PolarHBondContact O-N 2.97Å; A64-S68 PolarHBondContact O-OG 2.82Å |
| 65 | Q | 85.1 | Confident | 77 | Confident | 134 Ų | 134 | 104.1 Ų | 104.1 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62 | -47.5 | 174.1 | -173.5 | 178.3 | 2.2 | 0 | 0 | 111.5 | S61 K62 L63 S68 A69 | S61-Q65 WeakPolarHBondContact O-CB 3.39Å; S61-Q65 PolarHBondContact O-N 3.11Å; K62-Q65 WeakPolarHBondContact O-CB 3.26Å; K62-Q65 PolarHBondContact O-N 3.33Å; L63-Q65 VanDerWaalsContact C-N 3.33Å; L63-Q65 PolarHBondContact O-N 2.96Å; Q65-S68 PolarHBondContact O-N 3.27Å; Q65-S68 PolarHBondContact O-OG 3.29Å; Q65-A69 WeakPolarHBondContact O-CB 3.28Å; Q65-A69 PolarHBondContact O-N 3.49Å |
| 66 | E | 81.4 | Confident | 74.6 | Confident | 142 Ų | 142 | 105.3 Ų | 105.3 | 66% | 0.664 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.5 | -46.2 | 177.8 | -172.4 | 176.9 | 165.9 | 0 | 0 | 112 | K62 L63 S68 A69 S70 | K62-E66 PolarHBondContact O-N 3.02Å; L63-E66 PolarHBondContact O-N 3.33Å; E66-S68 PolarHBondContact O-N 2.92Å; E66-A69 PolarHBondContact O-N 2.9Å; E66-S70 PolarHBondContact O-N 3.32Å |
| 67 | Q | 76.9 | Confident | 72.1 | Confident | 125 Ų | 125 | 106.6 Ų | 106.6 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.8 | -43.9 | 175.6 | -70.7 | -176.2 | 13.9 | 0 | 0 | 111.6 | L63 A69 S70 S71 | L63-Q67 WeakPolarHBondContact O-CG 3.43Å; L63-Q67 PolarHBondContact O-N 2.7Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-A69 PolarHBondContact O-N 2.77Å; Q67-S70 PolarHBondContact O-N 3.4Å; Q67-S70 PolarHBondContact O-OG 3.37Å; Q67-S71 PolarHBondContact O-N 3.4Å |
| 68 | S | 71.6 | Confident | 69.7 | Low | 78 Ų | 78 | 108.5 Ų | 108.5 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.8 | -37.9 | 177.3 | 76.9 | 0 | 0 | 0 | 0 | 112.6 | A64 Q65 E66 S71 | A64-S68 WeakPolarHBondContact O-CB 3.33Å; A64-S68 PolarHBondContact O-N 2.97Å; A64-S68 PolarHBondContact O-OG 2.82Å; Q65-S68 PolarHBondContact O-N 3.27Å; Q65-S68 PolarHBondContact O-OG 3.29Å; E66-S68 PolarHBondContact O-N 2.92Å; S68-S71 WeakPolarHBondContact O-CB 3.4Å; S68-S71 PolarHBondContact O-N 3.45Å |
| 69 | A | 64.5 | Low | 67.2 | Low | 59 Ų | 59 | 111.5 Ų | 111.5 | 49% | 0.488 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.7 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q65 E66 Q67 S71 V72 | Q65-A69 WeakPolarHBondContact O-CB 3.28Å; Q65-A69 PolarHBondContact O-N 3.49Å; E66-A69 PolarHBondContact O-N 2.9Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-A69 PolarHBondContact O-N 2.77Å; A69-S71 PolarHBondContact O-N 2.88Å; A69-V72 PolarHBondContact O-N 3.44Å |
| 70 | S | 56.5 | Low | 65 | Low | 84 Ų | 84 | 117.7 Ų | 117.7 | 59% | 0.587 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60.6 | -30.5 | 176.5 | 82.4 | 0 | 0 | 0 | 0 | 112.9 | E66 Q67 V72 N73 | E66-S70 PolarHBondContact O-N 3.32Å; Q67-S70 PolarHBondContact O-N 3.4Å; Q67-S70 PolarHBondContact O-OG 3.37Å; S70-V72 PolarHBondContact O-N 3.27Å; S70-N73 PolarHBondContact O-N 3.44Å |
| 71 | S | 53.5 | Low | 62.2 | Low | 67 Ų | 67 | 115.7 Ų | 115.7 | 47% | 0.469 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -64.2 | -23.6 | -179.3 | -162.8 | 0 | 0 | 0 | 0 | 113.2 | Q67 S68 A69 N73 T74 | Q67-S71 PolarHBondContact O-N 3.4Å; S68-S71 WeakPolarHBondContact O-CB 3.4Å; S68-S71 PolarHBondContact O-N 3.45Å; A69-S71 PolarHBondContact O-N 2.88Å; S71-N73 PolarHBondContact O-N 3.26Å; S71-N73 VanDerWaalsContact O-N 3.15Å; S71-T74 WeakPolarHBondContact O-CG2 3.34Å; S71-T74 PolarHBondContact O-N 3.35Å; S71-T74 PolarHBondContact O-OG1 3.24Å; S71-T74 VanDerWaalsContact O-OG1 3.07Å |
| 72 | V | 53.7 | Low | 59.7 | Low | 126 Ų | 126 | 117.8 Ų | 117.8 | 76% | 0.764 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -67.6 | -17.3 | -177.7 | -175 | 0 | 0 | 0 | 0 | 112.5 | A69 S70 | A69-V72 PolarHBondContact O-N 3.44Å; S70-V72 PolarHBondContact O-N 3.27Å |
| 73 | N | 51.7 | Low | 57.5 | Low | 152 Ų | 152 | 122.6 Ų | 122.6 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -89.9 | 12.7 | 173.4 | -78.6 | -51.2 | 0 | 0 | 0 | 114.3 | S70 S71 R75 | S70-N73 PolarHBondContact O-N 3.44Å; S71-N73 PolarHBondContact O-N 3.26Å; S71-N73 VanDerWaalsContact O-N 3.15Å; N73-R75 PolarHBondContact O-N 2.7Å |
| 74 | T | 48.1 | Very low | 55.3 | Low | 103 Ų | 103 | 124.6 Ų | 124.6 | 63% | 0.632 | 68% | 0.684 | S | S | * | * | | | trans | -71.3 | 98.4 | 173.7 | 59 | 0 | 0 | 0 | 0 | 112.3 | S71 | S71-T74 WeakPolarHBondContact O-CG2 3.34Å; S71-T74 PolarHBondContact O-N 3.35Å; S71-T74 PolarHBondContact O-OG1 3.24Å; S71-T74 VanDerWaalsContact O-OG1 3.07Å |
| 75 | R | 49.7 | Very low | 53.4 | Low | 219 Ų | 219 | 128.4 Ų | 128.4 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | | | | 55.5 | 89.8 | 128.5 | -170.5 | -177.8 | -172.1 | 167.1 | 1.5 | 115.5 | N73 | N73-R75 PolarHBondContact O-N 2.7Š|
| 76 | T | 42.8 | Very low | 51.1 | Low | 124 Ų | 124 | 131.9 Ų | 131.9 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | | | trans | -43.2 | 131.9 | 162.3 | -39.8 | 0 | 0 | 0 | 0 | 110.9 | L78 | T76-L78 PolarHBondContact O-N 3.25Å; T76-L78 VanDerWaalsContact O-N 3.13Å |
| 77 | P | 43 | Very low | 48.8 | Very low | 102 Ų | 102 | 128 Ų | 128 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | | | trans | -64.6 | 117.2 | -179.1 | 24.6 | -33.4 | 0 | 0 | 0 | 110.6 | N79 | P77-N79 VanDerWaalsContact C-N 3.34Å; P77-N79 PolarHBondContact O-N 2.95Å; P77-N79 PolarHBondContact O-ND2 3.28Å |
| 78 | L | 41.8 | Very low | 47.2 | Very low | 157 Ų | 157 | 130 Ų | 130 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | | | trans | -68.9 | 94.5 | 169.3 | -87.9 | 94 | 0 | 0 | 0 | 109.2 | T76 Y80 | T76-L78 PolarHBondContact O-N 3.25Å; T76-L78 VanDerWaalsContact O-N 3.13Å; L78-Y80 PolarHBondContact O-N 3.06Å |
| 79 | N | 41.3 | Very low | 45.5 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | | | trans | -59.3 | 129.3 | 168.1 | -76 | -83.5 | 0 | 0 | 0 | 109.4 | P77 G81 | P77-N79 VanDerWaalsContact C-N 3.34Å; P77-N79 PolarHBondContact O-N 2.95Å; P77-N79 PolarHBondContact O-ND2 3.28Å; N79-G81 PolarHBondContact O-N 3.15Å |
| 80 | Y | 49.2 | Very low | 44.5 | Very low | 242 Ų | 242 | 143.2 Ų | 143.2 | 95% | 0.949 | 75% | 0.746 | S | S | * | * | | | trans | -80.1 | 68.6 | -170.5 | -145.9 | -95 | 0 | 0 | 0 | 111.6 | L78 S82 | L78-Y80 PolarHBondContact O-N 3.06Å; Y80-S82 PolarHBondContact O-N 3.16Å |
| 81 | G | 36.2 | Very low | 43.4 | Very low | 65 Ų | 65 | 144.8 Ų | 144.8 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | | | trans | -85.7 | 94.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N79 | N79-G81 PolarHBondContact O-N 3.15Š|
| 82 | S | 38 | Very low | 42.4 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | 30.4 | 96.5 | 148.2 | 60.9 | 0 | 0 | 0 | 0 | 119.6 | Y80 | Y80-S82 PolarHBondContact O-N 3.16Š|
| 83 | R | 47.7 | Very low | 41.3 | Very low | 207 Ų | 207 | 143.7 Ų | 143.7 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | | | trans | 11.6 | 113 | 138.3 | 178.7 | -170.8 | 170.5 | -170.6 | -2 | 117 | Q85 | R83-Q85 HydrophobicContact CG-CG 4.3Š|
| 84 | T | 42.1 | Very low | 40.4 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | -127.2 | 146.7 | 150 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 85 | Q | 46.3 | Very low | 40 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 62% | 0.617 | 77% | 0.765 | S | S | * | * | | | trans | -124.3 | 90.8 | -169.7 | -66.8 | 175 | -86.5 | 0 | 0 | 111.7 | R83 | R83-Q85 HydrophobicContact CG-CG 4.3Š|
| 86 | F | 36.9 | Very low | 39.5 | Very low | 207 Ų | 207 | 146 Ų | 146 | 91% | 0.908 | 77% | 0.767 | S | S | * | * | | | trans | -150.3 | 141.3 | 168 | -59.2 | -73.8 | 0 | 0 | 0 | 109.3 | | |
| 87 | G | 34.2 | Very low | 39.1 | Very low | 59 Ų | 59 | 143.2 Ų | 143.2 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | | | cis | 177.4 | 128.3 | -8.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F89 | G87-F89 PolarHBondContact O-N 2.98Š|
| 88 | H | 41.7 | Very low | 39 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | | | trans | -71.6 | 120.4 | -176.6 | -99.3 | -70.7 | 0 | 0 | 0 | 111.9 | Y90 | H88-Y90 AromaticContact ND1-CE2 3.81Š|
| 89 | F | 37.8 | Very low | 39.3 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -137.3 | 111.5 | 164.2 | -71.7 | -73.5 | 0 | 0 | 0 | 110.9 | G87 | G87-F89 PolarHBondContact O-N 2.98Š|
| 90 | Y | 41.6 | Very low | 39.3 | Very low | 217 Ų | 217 | 145.8 Ų | 145.8 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | trans | -94.9 | 113.9 | 167 | -78.7 | -85.2 | 0 | 0 | 0 | 109.4 | H88 | H88-Y90 AromaticContact ND1-CE2 3.81Š|
| 91 | S | 33.3 | Very low | 38.7 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -167.8 | 145.4 | 171.5 | -172.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 92 | S | 33.1 | Very low | 38.9 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | cis | -130 | 154.6 | -2.8 | -173.6 | 0 | 0 | 0 | 0 | 105.7 | | |
| 93 | G | 31.8 | Very low | 39.5 | Very low | 61 Ų | 61 | 150.1 Ų | 150.1 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | cis | 88.5 | 95.6 | 40.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 94 | N | 32.7 | Very low | 39.4 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | | | trans | 91.9 | 109.5 | 147.9 | -145.4 | 51 | 0 | 0 | 0 | 122 | | |
| 95 | R | 38.4 | Very low | 39.4 | Very low | 210 Ų | 210 | 149.2 Ų | 149.2 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | trans | 50 | 113.4 | 138.8 | -84.8 | 176.8 | -82.2 | -168.8 | -4.7 | 122.6 | | |
| 96 | H | 39 | Very low | 39.1 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | | | | 67.7 | 121.8 | 122 | -126.1 | 69.1 | 0 | 0 | 0 | 120.3 | | |
| 97 | G | 35.6 | Very low | 39.6 | Very low | 66 Ų | 66 | 148.8 Ų | 148.8 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | | | trans | 173.5 | 107.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I99 | G97-I99 PolarHBondContact O-N 2.82Š|
| 98 | N | 41.1 | Very low | 40.4 | Very low | 158 Ų | 158 | 154 Ų | 154 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | trans | -82.6 | 112.5 | 176.5 | -64.3 | -29.9 | 0 | 0 | 0 | 110 | | |
| 99 | I | 46.6 | Very low | 40.5 | Very low | 162 Ų | 162 | 154.3 Ų | 154.3 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | | | trans | -133 | 108.8 | 168.1 | -51.3 | -179.7 | 0 | 0 | 0 | 109.4 | G97 E101 | G97-I99 PolarHBondContact O-N 2.82Å; I99-E101 PolarHBondContact O-N 3.42Å |
| 100 | T | 41.8 | Very low | 41.2 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | | | trans | -76.7 | 113.8 | 170.4 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 101 | E | 37 | Very low | 41.4 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | | | trans | -165 | 151.2 | 145.7 | -113.2 | -159.2 | 143.6 | 0 | 0 | 116.2 | I99 | I99-E101 PolarHBondContact O-N 3.42Š|
| 102 | R | 40.7 | Very low | 42.3 | Very low | 197 Ų | 197 | 147.9 Ų | 147.9 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | 57.4 | 100 | 154.9 | -63.7 | 176.4 | -162.4 | -171.7 | 14.8 | 118.7 | K104 | R102-K104 PolarHBondContact O-N 2.82Š|
| 103 | H | 51 | Low | 43 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | trans | -38.1 | 120.2 | 150.5 | -85.8 | -153.4 | 0 | 0 | 0 | 112.7 | | |
| 104 | K | 44.1 | Very low | 43.8 | Very low | 175 Ų | 175 | 149 Ų | 149 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | | | trans | -117.5 | 102.1 | 146.8 | -81.9 | -171.7 | 173.4 | -178.2 | 0 | 109 | R102 H106 | R102-K104 PolarHBondContact O-N 2.82Å; K104-H106 VanDerWaalsContact C-N 3.26Å; K104-H106 PolarHBondContact O-N 3.11Å |
| 105 | K | 42.7 | Very low | 44.7 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | | | trans | -74.8 | 79.5 | 172.2 | -79.4 | -76.4 | -171.9 | 172.3 | 0 | 109.6 | Y107 | K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-Y107 HydrophobicContact CB-CD2 4.23Å; K105-Y107 HydrophobicContact CB-CE2 3.83Å; K105-Y107 HydrophobicContact CD-CE2 4.32Å; K105-Y107 HydrophobicContact CG-CE2 4.37Å; K105-Y107 PolarHBondContact O-N 2.86Å; K105-Y107 VanDerWaalsContact O-N 3.12Å |
| 106 | H | 39.6 | Very low | 45.1 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -72.9 | 96.6 | 158.2 | -70.2 | -77.2 | 0 | 0 | 0 | 107.6 | K104 | K104-H106 VanDerWaalsContact C-N 3.26Å; K104-H106 PolarHBondContact O-N 3.11Å |
| 107 | Y | 48.2 | Very low | 45.6 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | | | trans | -69.5 | 160.6 | 157.5 | -65.6 | -81.1 | 0 | 0 | 0 | 108.5 | K105 | K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-Y107 HydrophobicContact CB-CD2 4.23Å; K105-Y107 HydrophobicContact CB-CE2 3.83Å; K105-Y107 HydrophobicContact CD-CE2 4.32Å; K105-Y107 HydrophobicContact CG-CE2 4.37Å; K105-Y107 PolarHBondContact O-N 2.86Å; K105-Y107 VanDerWaalsContact O-N 3.12Å |
| 108 | N | 51.1 | Low | 46.5 | Very low | 167 Ų | 167 | 147 Ų | 147 | 89% | 0.893 | 72% | 0.724 | S | S | * | * | | | trans | 78.9 | 52.5 | -175.2 | -45.9 | -15.4 | 0 | 0 | 0 | 115.1 | | |
| 109 | E | 43 | Very low | 46.8 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | | | trans | -117.1 | 106.7 | 150.2 | -172.4 | 163.9 | -146.8 | 0 | 0 | 108.2 | S111 | E109-S111 PolarHBondContact O-N 3.31Š|
| 110 | T | 52.9 | Low | 46.9 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | | | trans | -78.5 | 73.7 | -179.8 | 46.2 | 0 | 0 | 0 | 0 | 110.2 | N112 | T110-N112 PolarHBondContact O-N 2.92Š|
| 111 | S | 46.7 | Very low | 47.2 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | | | trans | -67 | 127.5 | 168.9 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | E109 M113 | E109-S111 PolarHBondContact O-N 3.31Å; S111-M113 PolarHBondContact O-N 3.09Å |
| 112 | N | 51.7 | Low | 47.7 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 88% | 0.882 | 71% | 0.713 | S | S | * | * | | | trans | -66.8 | 98.4 | 178.3 | -64.2 | -73.5 | 0 | 0 | 0 | 109.2 | T110 S114 | T110-N112 PolarHBondContact O-N 2.92Å; N112-S114 PolarHBondContact O-N 2.89Å |
| 113 | M | 46.8 | Very low | 48.2 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | | | trans | -58.6 | 121.8 | 175.8 | -76 | 156.6 | 50.1 | 0 | 0 | 109.2 | S111 | S111-M113 PolarHBondContact O-N 3.09Š|
| 114 | S | 50 | Low | 47.8 | Very low | 48 Ų | 48 | 137.9 Ų | 137.9 | 34% | 0.336 | 71% | 0.713 | S | S | . | * | | | trans | -71.7 | 150.7 | -178.9 | 81.9 | 0 | 0 | 0 | 0 | 109.8 | N112 Y116 D117 | N112-S114 PolarHBondContact O-N 2.89Å; S114-Y116 PolarHBondContact O-N 3.1Å; S114-D117 WeakPolarHBondContact CB-OD2 3.19Å; S114-D117 PolarHBondContact N-OD2 2.95Å; S114-D117 VanDerWaalsContact N-OD2 3.15Å; S114-D117 WeakPolarHBondContact O-CB 3.49Å; S114-D117 PolarHBondContact O-N 2.67Å; S114-D117 PolarHBondContact OG-N 3.44Å; S114-D117 PolarHBondContact OG-OD2 3.32Å |
| 115 | I | 50.6 | Low | 48.2 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 65% | 0.651 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -56.4 | -28.7 | 178 | -61.5 | 171.3 | 0 | 0 | 0 | 110.9 | I118 L119 | I115-I118 PolarHBondContact O-N 2.65Å; I115-L119 HydrophobicContact CG2-CD1 4.44Å |
| 116 | Y | 47.6 | Very low | 48.8 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -74.1 | -23 | 178 | -56.7 | -73.2 | 0 | 0 | 0 | 114.3 | S114 | S114-Y116 PolarHBondContact O-N 3.1Å |
| 117 | D | 49.9 | Very low | 49.3 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 57% | 0.567 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -74 | -31.2 | 175.1 | -66.1 | -63.7 | 0 | 0 | 0 | 112 | S114 L119 | S114-D117 WeakPolarHBondContact CB-OD2 3.19Å; S114-D117 PolarHBondContact N-OD2 2.95Å; S114-D117 VanDerWaalsContact N-OD2 3.15Å; S114-D117 WeakPolarHBondContact O-CB 3.49Å; S114-D117 PolarHBondContact O-N 2.67Å; S114-D117 PolarHBondContact OG-N 3.44Å; S114-D117 PolarHBondContact OG-OD2 3.32Å; D117-L119 VanDerWaalsContact C-N 3.33Å |
| 118 | I | 54.5 | Low | 49.1 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -70.4 | -32.4 | 178.3 | -56.2 | 175.8 | 0 | 0 | 0 | 111 | I115 | I115-I118 PolarHBondContact O-N 2.65Å |
| 119 | L | 47.5 | Very low | 49 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -94.4 | -2.6 | -172.8 | -62 | 177.4 | 0 | 0 | 0 | 114.5 | I115 D117 P121 | I115-L119 HydrophobicContact CG2-CD1 4.44Å; D117-L119 VanDerWaalsContact C-N 3.33Å; L119-P121 WeakPolarHBondContact O-CD 3.32Å |
| 120 | R | 46.9 | Very low | 49 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -83.3 | 124.1 | 176.5 | 175.8 | 170.5 | -84.6 | -163.1 | -5.3 | 110.6 | G122 | R120-G122 PolarHBondContact O-N 3.27Š|
| 121 | P | 48.6 | Very low | 48.5 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | | | trans | -69.8 | 72.6 | 173.9 | -20.9 | 35.3 | 0 | 0 | 0 | 113 | L119 | L119-P121 WeakPolarHBondContact O-CD 3.32Š|
| 122 | G | 47.8 | Very low | 48.2 | Very low | 58 Ų | 58 | 139.1 Ų | 139.1 | 60% | 0.598 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 145.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R120 | R120-G122 PolarHBondContact O-N 3.27Š|
| 123 | T | 50.5 | Low | 47.6 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -56 | 140.1 | 171.3 | 43.9 | 0 | 0 | 0 | 0 | 110.6 | R125 | T123-R125 PolarHBondContact O-N 2.95Š|
| 124 | P | 43.1 | Very low | 47.7 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 125 | -178.3 | 25.1 | -33.6 | 0 | 0 | 0 | 109.9 | E126 | P124-E126 PolarHBondContact O-N 2.9Š|
| 125 | R | 52.8 | Low | 47.7 | Very low | 215 Ų | 215 | 145 Ų | 145 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 120.8 | 175.4 | -87.4 | -176.8 | 165.1 | 178.2 | -2 | 109.8 | T123 G127 F128 | T123-R125 PolarHBondContact O-N 2.95Å; R125-G127 PolarHBondContact O-N 3.36Å; R125-F128 HydrophobicContact CB-CE2 4.16Å |
| 126 | E | 54.8 | Low | 47.7 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 115.2 | 171.6 | -172.5 | 166.6 | -151.1 | 0 | 0 | 109.7 | P124 | P124-E126 PolarHBondContact O-N 2.9Š|
| 127 | G | 49.8 | Very low | 48.2 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.1 | -26.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | R125 | R125-G127 PolarHBondContact O-N 3.36Š|
| 128 | F | 43.7 | Very low | 48.4 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | | | trans | -113.8 | 110.8 | -178.7 | -33.5 | -69.5 | 0 | 0 | 0 | 111.1 | R125 T130 | R125-F128 HydrophobicContact CB-CE2 4.16Å; F128-T130 HydrophobicContact CB-CG2 4.49Å; F128-T130 PolarHBondContact O-N 3.18Å |
| 129 | K | 50.7 | Low | 48.1 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | | | trans | -80.5 | 62.8 | 166 | -76.8 | -168 | 175.7 | -175.9 | 0 | 110.6 | | |
| 130 | T | 43.3 | Very low | 48.4 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | | | trans | -86.2 | 118.1 | 167.4 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | F128 S132 | F128-T130 HydrophobicContact CB-CG2 4.49Å; F128-T130 PolarHBondContact O-N 3.18Å; T130-S132 PolarHBondContact O-N 3.13Å |
| 131 | F | 42.3 | Very low | 48.7 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 89% | 0.89 | 73% | 0.727 | S | S | * | * | | | trans | -72.7 | 77.4 | 172.3 | -76.5 | -91.8 | 0 | 0 | 0 | 109.7 | P133 | F131-P133 VanDerWaalsContact O-CD 3.24Å; F131-P133 WeakPolarHBondContact O-CD 3.4Å |
| 132 | S | 39.3 | Very low | 48.8 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | | | trans | -82.3 | 111 | 167.9 | -60.8 | 0 | 0 | 0 | 0 | 108.9 | T130 R134 | T130-S132 PolarHBondContact O-N 3.13Å; S132-R134 VanDerWaalsContact C-N 3.26Å; S132-R134 PolarHBondContact O-N 3.05Å |
| 133 | P | 39.2 | Very low | 48.9 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | | | trans | -72.4 | 83.9 | 173.7 | 31.3 | -34.5 | 0 | 0 | 0 | 109.2 | F131 T135 | F131-P133 VanDerWaalsContact O-CD 3.24Å; F131-P133 WeakPolarHBondContact O-CD 3.4Å; P133-T135 PolarHBondContact O-N 3.49Å; P133-T135 VanDerWaalsContact O-N 3.12Å |
| 134 | R | 48.6 | Very low | 48.8 | Very low | 225 Ų | 225 | 142.1 Ų | 142.1 | 85% | 0.849 | 71% | 0.713 | S | S | * | * | | | trans | -63.9 | 113 | 166.6 | -100 | -174.1 | 170.4 | 136.2 | -0.6 | 108 | S132 S136 | S132-R134 VanDerWaalsContact C-N 3.26Å; S132-R134 PolarHBondContact O-N 3.05Å; R134-S136 PolarHBondContact O-N 2.59Å |
| 135 | T | 49.6 | Very low | 49.5 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | | | trans | -56.8 | 109.4 | 161.7 | 47 | 0 | 0 | 0 | 0 | 107.9 | P133 T137 | P133-T135 PolarHBondContact O-N 3.49Å; P133-T135 VanDerWaalsContact O-N 3.12Å; T135-T137 PolarHBondContact O-N 3.4Å |
| 136 | S | 50.5 | Low | 49.3 | Very low | 79 Ų | 79 | 144 Ų | 144 | 55% | 0.552 | 71% | 0.711 | S | S | * | * | | | trans | -59.5 | 125.7 | 172.6 | 49.5 | 0 | 0 | 0 | 0 | 108.4 | R134 | R134-S136 PolarHBondContact O-N 2.59Š|
| 137 | T | 59.3 | Low | 48.6 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 49% | 0.485 | 70% | 0.701 | S | S | . | * | | | trans | -68 | 152.1 | 175 | 72.4 | 0 | 0 | 0 | 0 | 108.7 | T135 Y139 D140 | T135-T137 PolarHBondContact O-N 3.4Å; T137-Y139 PolarHBondContact O-N 2.92Å; T137-D140 WeakPolarHBondContact CB-OD2 3.47Å; T137-D140 PolarHBondContact N-OD2 3.24Å; T137-D140 WeakPolarHBondContact O-CB 3.42Å; T137-D140 PolarHBondContact O-N 2.77Å; T137-D140 PolarHBondContact OG1-N 3.27Å; T137-D140 PolarHBondContact OG1-OD2 3.15Å |
| 138 | I | 53.9 | Low | 48.4 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -56 | -30.6 | 179.1 | -60.9 | 174.7 | 0 | 0 | 0 | 110.6 | D140 M141 Y142 | I138-D140 PolarHBondContact O-N 3.31Å; I138-M141 PolarHBondContact O-N 3.06Å; I138-Y142 HydrophobicContact CG2-CD2 4.2Å; I138-Y142 HydrophobicContact CG2-CE2 3.75Å; I138-Y142 VanDerWaalsContact O-CD2 3.25Å; I138-Y142 WeakPolarHBondContact O-CD2 3.36Å |
| 139 | Y | 47.1 | Very low | 48.3 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 73% | 0.725 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -65.1 | -34.8 | 176.1 | -160.3 | -103.5 | 0 | 0 | 0 | 113.6 | T137 M141 Y142 R143 | T137-Y139 PolarHBondContact O-N 2.92Å; Y139-M141 VanDerWaalsContact C-N 3.3Å; Y139-M141 PolarHBondContact O-N 3.31Å; Y139-Y142 PolarHBondContact O-N 3.42Å; Y139-R143 PolarHBondContact O-N 3.42Å |
| 140 | D | 55.2 | Low | 47.8 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 50% | 0.503 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -68.1 | -29.6 | 176.9 | -61.9 | -60 | 0 | 0 | 0 | 112.1 | T137 I138 R143 | T137-D140 WeakPolarHBondContact CB-OD2 3.47Å; T137-D140 PolarHBondContact N-OD2 3.24Å; T137-D140 WeakPolarHBondContact O-CB 3.42Å; T137-D140 PolarHBondContact O-N 2.77Å; T137-D140 PolarHBondContact OG1-N 3.27Å; T137-D140 PolarHBondContact OG1-OD2 3.15Å; I138-D140 PolarHBondContact O-N 3.31Å; D140-R143 PolarHBondContact O-N 3.24Å |
| 141 | M | 52.1 | Low | 47.7 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -70.3 | -32.7 | 179.8 | -66.8 | 174.5 | 56.8 | 0 | 0 | 113.2 | I138 Y139 | I138-M141 PolarHBondContact O-N 3.06Å; Y139-M141 VanDerWaalsContact C-N 3.3Å; Y139-M141 PolarHBondContact O-N 3.31Å |
| 142 | Y | 50.5 | Low | 47.5 | Very low | 182 Ų | 182 | 144.3 Ų | 144.3 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -91.6 | -7 | 178.2 | -64.1 | -71.4 | 0 | 0 | 0 | 113.4 | I138 Y139 T144 | I138-Y142 HydrophobicContact CG2-CD2 4.2Å; I138-Y142 HydrophobicContact CG2-CE2 3.75Å; I138-Y142 VanDerWaalsContact O-CD2 3.25Å; I138-Y142 WeakPolarHBondContact O-CD2 3.36Å; Y139-Y142 PolarHBondContact O-N 3.42Å; Y142-T144 PolarHBondContact O-N 2.94Å |
| 143 | R | 51.8 | Low | 47.3 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 56% | 0.555 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -73.6 | 89.9 | 174.2 | -122.5 | -68.5 | 179.3 | -179.2 | -1.6 | 109.1 | Y139 D140 R145 E146 | Y139-R143 PolarHBondContact O-N 3.42Å; D140-R143 PolarHBondContact O-N 3.24Å; R143-R145 PolarHBondContact O-N 3.32Å; R143-E146 IonicContact CZ-OE1 3.38Å; R143-E146 IonicContact NH1-OE1 2.66Å; R143-E146 PolarHBondContact NH1-OE1 2.92Å; R143-E146 IonicContact NH2-OE1 2.65Å |
| 144 | T | 46.8 | Very low | 47.3 | Very low | 116 Ų | 116 | 151.5 Ų | 151.5 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | | | trans | -49.3 | 125.4 | 176.2 | 46.1 | 0 | 0 | 0 | 0 | 110.3 | Y142 E146 | Y142-T144 PolarHBondContact O-N 2.94Å; T144-E146 VanDerWaalsContact C-N 3.34Å; T144-E146 PolarHBondContact O-N 3.15Å |
| 145 | R | 58.8 | Low | 46.8 | Very low | 243 Ų | 243 | 146 Ų | 146 | 92% | 0.917 | 70% | 0.7 | S | S | * | * | | | trans | -72.5 | 88.2 | -173 | -173.8 | -179 | -177.6 | -175.3 | 0.9 | 109.7 | R143 P147 | R143-R145 PolarHBondContact O-N 3.32Å; R145-P147 WeakPolarHBondContact O-CD 3.24Å; R145-P147 VanDerWaalsContact O-N 3.15Å |
| 146 | E | 48 | Very low | 46.2 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 59% | 0.589 | 70% | 0.698 | S | S | * | * | | | trans | -46.8 | 118.4 | 175.2 | -72.5 | 173.9 | -155.4 | 0 | 0 | 110.2 | R143 T144 R148 | R143-E146 IonicContact CZ-OE1 3.38Å; R143-E146 IonicContact NH1-OE1 2.66Å; R143-E146 PolarHBondContact NH1-OE1 2.92Å; R143-E146 IonicContact NH2-OE1 2.65Å; T144-E146 VanDerWaalsContact C-N 3.34Å; T144-E146 PolarHBondContact O-N 3.15Å; E146-R148 PolarHBondContact O-N 2.95Å |
| 147 | P | 40.9 | Very low | 45.6 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | | | trans | -73.4 | 93.7 | 179.5 | 29.1 | -33.1 | 0 | 0 | 0 | 108.8 | R145 V149 | R145-P147 WeakPolarHBondContact O-CD 3.24Å; R145-P147 VanDerWaalsContact O-N 3.15Å; P147-V149 PolarHBondContact O-N 3.46Å |
| 148 | R | 45.2 | Very low | 45 | Very low | 223 Ų | 223 | 156 Ų | 156 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | | | trans | -58 | 109.2 | 166.2 | -71.5 | -172 | -178.5 | -178.7 | 1.2 | 108 | E146 F150 | E146-R148 PolarHBondContact O-N 2.95Å; R148-F150 VanDerWaalsContact C-N 3.27Å; R148-F150 PolarHBondContact O-N 2.9Å |
| 149 | V | 41 | Very low | 44.4 | Very low | 125 Ų | 125 | 156.3 Ų | 156.3 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | | | trans | -67.7 | 90 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | P147 | P147-V149 PolarHBondContact O-N 3.46Š|
| 150 | F | 39.8 | Very low | 44 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | | | trans | -73.6 | 122.5 | 161.3 | -117.3 | -93.5 | 0 | 0 | 0 | 107.6 | R148 | R148-F150 VanDerWaalsContact C-N 3.27Å; R148-F150 PolarHBondContact O-N 2.9Å |
| 151 | K | 41.7 | Very low | 42.9 | Very low | 146 Ų | 146 | 156.7 Ų | 156.7 | 64% | 0.635 | 76% | 0.757 | S | S | * | * | | | trans | -88 | 170 | 162.3 | -80.9 | -73.4 | -171.4 | 173 | 0 | 108.6 | | |
| 152 | E | 37.4 | Very low | 42.2 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | | | trans | 64.1 | 135.8 | -174.9 | -66.6 | 58.6 | -100.2 | 0 | 0 | 113.8 | | |
| 153 | D | 36.6 | Very low | 41.4 | Very low | 151 Ų | 151 | 153.3 Ų | 153.3 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | cis | -150.7 | 175.1 | -5.4 | -130.7 | -32.6 | 0 | 0 | 0 | 113.1 | | |
| 154 | Y | 38.6 | Very low | 40.7 | Very low | 213 Ų | 213 | 151 Ų | 151 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -72.3 | 146.4 | -172.5 | -154.1 | -124.8 | 0 | 0 | 0 | 113.5 | | |
| 155 | V | 38 | Very low | 40.4 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | | | trans | 71.4 | 117.6 | 172.5 | -169.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 156 | Q | 35.9 | Very low | 39 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | | -175.3 | 106.8 | 106.9 | -175.5 | 146.1 | -42.8 | 0 | 0 | 114.9 | | |
| 157 | K | 39.6 | Very low | 38.4 | Very low | 174 Ų | 174 | 151.5 Ų | 151.5 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | trans | 44.7 | 109.3 | 145.8 | -61.9 | 176.8 | -178.6 | 178.5 | 0 | 119.7 | | |
| 158 | N | 46.2 | Very low | 38.1 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -52.5 | 139.7 | 158.6 | -51.8 | -3.2 | 0 | 0 | 0 | 111.7 | | |
| 159 | T | 41.7 | Very low | 37.6 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -136.3 | 136.7 | 162.8 | -61.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 160 | F | 37.8 | Very low | 37.3 | Very low | 208 Ų | 208 | 153 Ų | 153 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | | | trans | -80 | 148.3 | -172.6 | -68.1 | -100.8 | 0 | 0 | 0 | 112.7 | | |
| 161 | G | 33.3 | Very low | 37.2 | Very low | 78 Ų | 78 | 151.6 Ų | 151.6 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 171 | 78.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 162 | S | 35.7 | Very low | 36.6 | Very low | 115 Ų | 115 | 156.5 Ų | 156.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -50.2 | 148.2 | 172.3 | -44.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 163 | T | 35.3 | Very low | 36.5 | Very low | 128 Ų | 128 | 154.7 Ų | 154.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | | -171.6 | 164.5 | 58.2 | 42.6 | 0 | 0 | 0 | 0 | 111 | | |
| 164 | S | 36.2 | Very low | 36.3 | Very low | 98 Ų | 98 | 152.2 Ų | 152.2 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | | | cis | 177.9 | 133.8 | -31.4 | 54.9 | 0 | 0 | 0 | 0 | 109 | | |
| 165 | L | 39.9 | Very low | 36.1 | Very low | 174 Ų | 174 | 150 Ų | 150 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | -149.6 | 134 | 161.9 | -115 | 175.3 | 0 | 0 | 0 | 109.2 | | |
| 166 | C | 30.6 | Very low | 36.2 | Very low | 108 Ų | 108 | 150.4 Ų | 150.4 | 73% | 0.73 | 82% | 0.818 | S | S | * | * | | | trans | -108.4 | 115.8 | -162.5 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 167 | F | 35.3 | Very low | 36.3 | Very low | 213 Ų | 213 | 147.3 Ų | 147.3 | 93% | 0.934 | 82% | 0.821 | S | S | * | * | | | trans | -144.9 | 85.6 | 157 | -80.1 | -68.1 | 0 | 0 | 0 | 110.8 | | |
| 168 | D | 33.6 | Very low | 36.4 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | | | trans | -147.7 | 138.6 | 139.5 | -165.5 | 1.6 | 0 | 0 | 0 | 109 | | |
| 169 | S | 36.2 | Very low | 36 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -123.2 | 107 | -173.8 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 170 | R | 34.8 | Very low | 35.8 | Very low | 231 Ų | 231 | 142.5 Ų | 142.5 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | 67.1 | 78.9 | 153.9 | -165.7 | -176.3 | -63.6 | -86 | -0.9 | 116.1 | | |
| 171 | Q | 36.3 | Very low | 35.8 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | | | | 34 | 109.8 | 117.3 | -79.5 | -78.3 | -7 | 0 | 0 | 117.2 | | |
| 172 | R | 30.4 | Very low | 36.2 | Very low | 250 Ų | 250 | 145.5 Ų | 145.5 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | | | trans | -133.6 | 132.3 | 139.8 | -82.6 | -166.3 | 171.6 | 163.1 | -0.9 | 110.5 | | |
| 173 | S | 34.5 | Very low | 36.9 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -82.1 | 139.5 | -171 | -36.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 174 | A | 33.1 | Very low | 37.3 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | | | trans | -145.4 | 132.9 | 157 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 175 | L | 34.5 | Very low | 37.4 | Very low | 165 Ų | 165 | 151 Ų | 151 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | | | trans | -78.8 | 157.6 | 172.9 | -84.1 | 155.2 | 0 | 0 | 0 | 110.2 | A177 | L175-A177 PolarHBondContact O-N 2.98Å; L175-A177 VanDerWaalsContact O-N 3.16Å |
| 176 | P | 40.2 | Very low | 38 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | -69.7 | 113.5 | -172.2 | 27.7 | -34.5 | 0 | 0 | 0 | 111.7 | T178 | P176-T178 PolarHBondContact O-N 3.2Š|
| 177 | A | 36.5 | Very low | 38.3 | Very low | 100 Ų | 100 | 153 Ų | 153 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | | | trans | -77.8 | 111 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | L175 G179 | L175-A177 PolarHBondContact O-N 2.98Å; L175-A177 VanDerWaalsContact O-N 3.16Å; A177-G179 PolarHBondContact O-N 2.91Å |
| 178 | T | 43 | Very low | 39 | Very low | 136 Ų | 136 | 151 Ų | 151 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -65.1 | 103.2 | 169.5 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | P176 | P176-T178 PolarHBondContact O-N 3.2Š|
| 179 | G | 37 | Very low | 39.5 | Very low | 55 Ų | 55 | 148.8 Ų | 148.8 | 57% | 0.567 | 81% | 0.809 | S | S | * | * | | | trans | -145.5 | 122.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A177 | A177-G179 PolarHBondContact O-N 2.91Š|
| 180 | H | 37.8 | Very low | 39.6 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | | | trans | -78.3 | 132.7 | -175 | -60 | -78.3 | 0 | 0 | 0 | 111.9 | T182 | H180-T182 PolarHBondContact O-N 2.86Š|
| 181 | F | 37.2 | Very low | 40 | Very low | 208 Ų | 208 | 144 Ų | 144 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | | | trans | -73 | 105.4 | 175 | -68.7 | -83.9 | 0 | 0 | 0 | 111.8 | A183 | F181-A183 PolarHBondContact O-N 3.1Š|
| 182 | T | 42 | Very low | 40.2 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | | | trans | -83.8 | 85.3 | 164.5 | 36.9 | 0 | 0 | 0 | 0 | 110.5 | H180 R184 | H180-T182 PolarHBondContact O-N 2.86Å; T182-R184 VanDerWaalsContact C-N 3.33Å; T182-R184 PolarHBondContact O-N 3.27Å |
| 183 | A | 50.2 | Low | 41 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -69.4 | 81.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F181 | F181-A183 PolarHBondContact O-N 3.1Š|
| 184 | R | 45 | Very low | 41.1 | Very low | 246 Ų | 246 | 139.5 Ų | 139.5 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | | | trans | -163.3 | 76.9 | 167.3 | -114.2 | 173.6 | 81.7 | 164.9 | 7.2 | 114.6 | T182 | T182-R184 VanDerWaalsContact C-N 3.33Å; T182-R184 PolarHBondContact O-N 3.27Å |
| 185 | S | 36.4 | Very low | 42 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | trans | -159 | 110.4 | 145.1 | -167.9 | 0 | 0 | 0 | 0 | 110.4 | H187 | S185-H187 PolarHBondContact O-N 3.16Š|
| 186 | L | 54 | Low | 42.3 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -88.9 | 96.5 | 168.6 | -80.9 | 170.7 | 0 | 0 | 0 | 108.1 | | |
| 187 | H | 36.1 | Very low | 42.7 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | -129.1 | 101.3 | 170.4 | -155.8 | -57.3 | 0 | 0 | 0 | 110.2 | S185 P189 | S185-H187 PolarHBondContact O-N 3.16Å; H187-P189 WeakPolarHBondContact O-CD 3.25Å |
| 188 | F | 49.2 | Very low | 43 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 122.8 | 168 | -65.2 | -85.2 | 0 | 0 | 0 | 108.4 | | |
| 189 | P | 45.2 | Very low | 43.3 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 134.5 | 166.8 | 29.1 | -32.2 | 0 | 0 | 0 | 108.9 | H187 | H187-P189 WeakPolarHBondContact O-CD 3.25Š|
| 190 | A | 38.1 | Very low | 43.7 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67 | 158.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T192 | A190-T192 PolarHBondContact O-N 3.24Š|
| 191 | T | 43.2 | Very low | 44.3 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | | | trans | -47.7 | 102.5 | 178.6 | 29 | 0 | 0 | 0 | 0 | 113.9 | | |
| 192 | T | 40.8 | Very low | 44.3 | Very low | 135 Ų | 135 | 145.9 Ų | 145.9 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | | | trans | -77.9 | 142.5 | 159.5 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | A190 S194 | A190-T192 PolarHBondContact O-N 3.24Å; T192-S194 PolarHBondContact O-N 2.75Å |
| 193 | Q | 47.1 | Very low | 44.5 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | | | trans | -74.6 | 120.4 | -165.7 | -60.4 | 178 | 6.8 | 0 | 0 | 112.4 | | |
| 194 | S | 35.5 | Very low | 44.3 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | | | trans | -89.2 | 115.4 | 156.7 | 62.6 | 0 | 0 | 0 | 0 | 109.7 | T192 S196 | T192-S194 PolarHBondContact O-N 2.75Å; S194-S196 PolarHBondContact O-N 3.12Å |
| 195 | K | 53.5 | Low | 44.3 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -76.2 | 89.1 | 168.5 | -81.4 | -176.6 | 174 | 178.4 | 0 | 109.2 | | |
| 196 | S | 40.4 | Very low | 44.8 | Very low | 92 Ų | 92 | 150 Ų | 150 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | | | trans | -131.1 | 101.1 | 164.6 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | S194 F198 | S194-S196 PolarHBondContact O-N 3.12Å; S196-F198 PolarHBondContact O-N 3.37Å |
| 197 | G | 48.7 | Very low | 44.4 | Very low | 74 Ų | 74 | 147.9 Ų | 147.9 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | | | trans | -88.2 | 87.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 198 | F | 41.9 | Very low | 45.3 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -128.4 | 102.9 | 164.9 | -74.4 | -76.7 | 0 | 0 | 0 | 110.6 | S196 | S196-F198 PolarHBondContact O-N 3.37Š|
| 199 | I | 50.8 | Low | 45.2 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 82% | 0.821 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89 | 123.1 | 173.2 | -59.2 | 173.4 | 0 | 0 | 0 | 107.6 | | |
| 200 | P | 45.6 | Very low | 45.8 | Very low | 104 Ų | 104 | 154.1 Ų | 154.1 | 68% | 0.675 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.9 | 175.1 | 28 | -32.9 | 0 | 0 | 0 | 109.9 | R202 | P200-R202 PolarHBondContact O-N 2.63Š|
| 201 | P | 48.4 | Very low | 46.2 | Very low | 127 Ų | 127 | 154.4 Ų | 154.4 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 120.6 | 179.2 | 26.6 | -33.2 | 0 | 0 | 0 | 110.3 | | |
| 202 | R | 37.3 | Very low | 46.8 | Very low | 239 Ų | 239 | 156.1 Ų | 156.1 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 142.7 | 171.6 | -71.4 | -176 | 172.2 | -164.1 | -2.2 | 109.9 | P200 Q204 | P200-R202 PolarHBondContact O-N 2.63Å; R202-Q204 PolarHBondContact O-N 3.48Å |
| 203 | H | 47.7 | Very low | 47.2 | Very low | 194 Ų | 194 | 154.4 Ų | 154.4 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123.8 | 172.4 | -67.7 | -51.3 | 0 | 0 | 0 | 111.4 | | |
| 204 | Q | 45.6 | Very low | 47.3 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -117.7 | 148.7 | 151.1 | -72.6 | -171.9 | -19.3 | 0 | 0 | 108 | R202 | R202-Q204 PolarHBondContact O-N 3.48Š|
| 205 | Q | 44.1 | Very low | 48.3 | Very low | 193 Ų | 193 | 151.8 Ų | 151.8 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -83.8 | 143.1 | -166.3 | -69 | 168.1 | -58.7 | 0 | 0 | 112.4 | | |
| 206 | S | 46.9 | Very low | 48.3 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -21.4 | 162.3 | 173.2 | 61.3 | 0 | 0 | 0 | 0 | 120 | | |
| 207 | P | 46.8 | Very low | 48.7 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | | -131.2 | 135.8 | 108 | 36 | -29.6 | 0 | 0 | 0 | 115.4 | | |
| 208 | K | 54.4 | Low | 48.8 | Very low | 200 Ų | 200 | 156.8 Ų | 156.8 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | trans | 41.6 | 85.6 | 148.6 | -59.9 | -179.4 | 179.8 | 179 | 0 | 118.2 | | |
| 209 | R | 47.9 | Very low | 48.5 | Very low | 246 Ų | 246 | 155.9 Ų | 155.9 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | | | trans | -132.4 | 121.8 | 140.9 | -85.8 | -168.5 | 158.4 | 119.9 | -1.6 | 110.1 | | |
| 210 | T | 58 | Low | 48.5 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -76.5 | 122.2 | 173.9 | -18.3 | 0 | 0 | 0 | 0 | 108.8 | L212 | T210-L212 PolarHBondContact O-N 3.12Š|
| 211 | P | 46.7 | Very low | 48 | Very low | 94 Ų | 94 | 154.3 Ų | 154.3 | 61% | 0.61 | 78% | 0.784 | S | S | * | * | | | trans | -73.2 | 121.3 | 171.5 | 29.4 | -32.1 | 0 | 0 | 0 | 109.5 | S213 | P211-S213 PolarHBondContact O-N 2.96Š|
| 212 | L | 54.9 | Low | 47.6 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -76.4 | 59.4 | 174.2 | -82.6 | 165.2 | 0 | 0 | 0 | 110.9 | T210 | T210-L212 PolarHBondContact O-N 3.12Š|
| 213 | S | 49.6 | Very low | 47.8 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | trans | -146.8 | 44.5 | -175 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | P211 | P211-S213 PolarHBondContact O-N 2.96Š|
| 214 | S | 48.4 | Very low | 47.2 | Very low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | trans | -140.6 | 51.3 | 172.1 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | I216 | S214-I216 PolarHBondContact O-N 2.93Š|
| 215 | I | 56.2 | Low | 46.4 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | -72 | 85.9 | 166.1 | -57.4 | 178.3 | 0 | 0 | 0 | 107.1 | W217 | I215-W217 PolarHBondContact O-N 3.3Å; I215-W217 VanDerWaalsContact O-N 3.17Å |
| 216 | I | 54.8 | Low | 46 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 59% | 0.59 | 76% | 0.763 | S | S | * | * | | | trans | -77.6 | 98.1 | 173.3 | -60.3 | 171.3 | 0 | 0 | 0 | 107 | S214 N218 R219 | S214-I216 PolarHBondContact O-N 2.93Å; I216-N218 PolarHBondContact O-N 3.12Å; I216-R219 HydrophobicContact CG2-CG 3.94Å |
| 217 | W | 47.4 | Very low | 45.6 | Very low | 215 Ų | 215 | 150.2 Ų | 150.2 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | | | trans | -63.3 | 130.5 | 166.5 | -77.7 | 96.3 | 0 | 0 | 0 | 109.6 | I215 | I215-W217 PolarHBondContact O-N 3.3Å; I215-W217 VanDerWaalsContact O-N 3.17Å |
| 218 | N | 51 | Low | 45 | Very low | 144 Ų | 144 | 151.7 Ų | 151.7 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | 58.7 | 82.2 | 172.5 | -56.6 | -16.7 | 0 | 0 | 0 | 115.9 | I216 | I216-N218 PolarHBondContact O-N 3.12Š|
| 219 | R | 35.3 | Very low | 44.4 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | | | trans | -124.6 | 110.9 | 152.2 | -84.8 | -175.5 | 167.8 | -106.6 | -2.8 | 110.6 | I216 D221 | I216-R219 HydrophobicContact CG2-CG 3.94Å; R219-D221 WeakPolarHBondContact CD-OD2 3.42Å; R219-D221 IonicContact NH1-OD2 3.68Å; R219-D221 PolarHBondContact NH1-OD2 2.92Å; R219-D221 PolarHBondContact O-N 3.49Å |
| 220 | S | 50.9 | Low | 43.9 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -82.6 | 54.5 | 177.1 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | S222 | S220-S222 PolarHBondContact O-N 3.06Š|
| 221 | D | 36.4 | Very low | 43.3 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | trans | -84 | 52.6 | -175.7 | -70 | -27.6 | 0 | 0 | 0 | 111.2 | R219 S223 | R219-D221 WeakPolarHBondContact CD-OD2 3.42Å; R219-D221 IonicContact NH1-OD2 3.68Å; R219-D221 PolarHBondContact NH1-OD2 2.92Å; R219-D221 PolarHBondContact O-N 3.49Å; D221-S223 VanDerWaalsContact C-N 3.31Å; D221-S223 PolarHBondContact O-N 3.3Å |
| 222 | S | 38.8 | Very low | 43 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -75.9 | 80.3 | 173.6 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | S220 R224 | S220-S222 PolarHBondContact O-N 3.06Å; S222-R224 PolarHBondContact O-N 3.02Å |
| 223 | S | 41.6 | Very low | 42.5 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -66.8 | 114.1 | 178.8 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | D221 | D221-S223 VanDerWaalsContact C-N 3.31Å; D221-S223 PolarHBondContact O-N 3.3Å |
| 224 | R | 35 | Very low | 42.1 | Very low | 241 Ų | 241 | 157.9 Ų | 157.9 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -12.4 | 149.3 | 156.9 | -165.3 | 178.9 | -170.1 | 176.6 | 3.3 | 117.2 | S222 | S222-R224 PolarHBondContact O-N 3.02Š|
| 225 | D | 29.8 | Very low | 42 | Very low | 131 Ų | 131 | 157.3 Ų | 157.3 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | 88.4 | 120.2 | 179.2 | -148.6 | 51.6 | 0 | 0 | 0 | 112.6 | | |
| 226 | R | 34.5 | Very low | 41.6 | Very low | 204 Ų | 204 | 155.7 Ų | 155.7 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | cis | -127.3 | 135.8 | 10.7 | -64.5 | 174.3 | 80.5 | -163.7 | 2.9 | 109.2 | | |
| 227 | E | 39 | Very low | 41.2 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | | 43.1 | 73.4 | 88.1 | -65.5 | -170.6 | 175 | 0 | 0 | 114.5 | | |
| 228 | N | 34.7 | Very low | 41.4 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | | 178.6 | 152.7 | 112.9 | -98.8 | -77.5 | 0 | 0 | 0 | 112.1 | | |
| 229 | Q | 42 | Very low | 41.5 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | 62.4 | 138.1 | 173.8 | -50.6 | -142.8 | -81.7 | 0 | 0 | 117.2 | | |
| 230 | E | 36.9 | Very low | 42 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | cis | 157.5 | 129.9 | -19.4 | 169 | 161.7 | -130.8 | 0 | 0 | 104.9 | | |
| 231 | E | 45 | Very low | 42.1 | Very low | 167 Ų | 167 | 153.6 Ų | 153.6 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | trans | 26 | 91 | 169.6 | -166.4 | 161.1 | -136.8 | 0 | 0 | 119.5 | | |
| 232 | F | 41.2 | Very low | 42.9 | Very low | 206 Ų | 206 | 153.1 Ų | 153.1 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | | | trans | -132.2 | 147.5 | 148.8 | -81.7 | -73.5 | 0 | 0 | 0 | 112 | | |
| 233 | L | 43.5 | Very low | 43.7 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 151.2 | -155.8 | -68.5 | 166.8 | 0 | 0 | 0 | 114.3 | A235 | L233-A235 PolarHBondContact O-N 3.06Š|
| 234 | R | 42 | Very low | 44.1 | Very low | 236 Ų | 236 | 151.1 Ų | 151.1 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 122.3 | 170.3 | 176.4 | -177.3 | -63.9 | -172.7 | 0.2 | 110.2 | | |
| 235 | A | 45 | Very low | 44.9 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 134.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L233 | L233-A235 PolarHBondContact O-N 3.06Š|
| 236 | P | 48.5 | Very low | 45.9 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 148.8 | 178.3 | 29.4 | -34.5 | 0 | 0 | 0 | 111.4 | | |
| 237 | S | 46.6 | Very low | 46.5 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 155.1 | 175.3 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | M239 | S237-M239 PolarHBondContact O-N 2.84Š|
| 238 | P | 51.6 | Low | 46.6 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 94% | 0.942 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -69.8 | 15.2 | -171 | -20.5 | 34.2 | 0 | 0 | 0 | 116.9 | | |
| 239 | M | 52.9 | Low | 46.7 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -153.3 | 57.4 | -170 | -165 | 174.1 | 64.6 | 0 | 0 | 111.7 | S237 | S237-M239 PolarHBondContact O-N 2.84Š|
| 240 | E | 46.1 | Very low | 47 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | -121.5 | 103.9 | 166.2 | -168 | 156.5 | -139.9 | 0 | 0 | 107.7 | | |
| 241 | I | 53.6 | Low | 47.1 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | -100.1 | 124.4 | -175.5 | -61.6 | 169.4 | 0 | 0 | 0 | 107.8 | | |
| 242 | D | 52.6 | Low | 46.5 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 56% | 0.561 | 76% | 0.764 | S | S | * | * | | | trans | -57.6 | 125.4 | 178.8 | -170.2 | -29.7 | 0 | 0 | 0 | 110.5 | A244 D245 | D242-A244 PolarHBondContact O-N 2.87Å; D242-A244 VanDerWaalsContact O-N 3.09Å; D242-A244 VanDerWaalsContact OD1-CB 3.22Å; D242-A244 WeakPolarHBondContact OD1-CB 3.45Å; D242-A244 PolarHBondContact OD1-N 3.27Å; D242-D245 PolarHBondContact O-N 3.49Å |
| 243 | P | 55.1 | Low | 46.4 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -13.5 | 177.2 | 26 | -35.7 | 0 | 0 | 0 | 114.5 | | |
| 244 | A | 51.4 | Low | 46.1 | Very low | 79 Ų | 79 | 146.3 Ų | 146.3 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -33.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | D242 K246 | D242-A244 PolarHBondContact O-N 2.87Å; D242-A244 VanDerWaalsContact O-N 3.09Å; D242-A244 VanDerWaalsContact OD1-CB 3.22Å; D242-A244 WeakPolarHBondContact OD1-CB 3.45Å; D242-A244 PolarHBondContact OD1-N 3.27Å; A244-K246 VanDerWaalsContact C-N 3.27Å; A244-K246 PolarHBondContact O-N 3.32Å |
| 245 | D | 51.7 | Low | 46.1 | Very low | 143 Ų | 143 | 142 Ų | 142 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | trans | -91 | 50.1 | -165.5 | -151.8 | 18.3 | 0 | 0 | 0 | 113.5 | D242 | D242-D245 PolarHBondContact O-N 3.49Š|
| 246 | K | 50 | Low | 45.8 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | | | trans | -107.4 | 147.6 | 170.8 | -71.9 | 173.7 | -178.2 | 169 | 0 | 109.6 | A244 | A244-K246 VanDerWaalsContact C-N 3.27Å; A244-K246 PolarHBondContact O-N 3.32Å |
| 247 | Y | 47.9 | Very low | 45.8 | Very low | 224 Ų | 224 | 148.6 Ų | 148.6 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | | | trans | 85.8 | 43.5 | 175.4 | -49.4 | -73.4 | 0 | 0 | 0 | 118.9 | | |
| 248 | V | 40.3 | Very low | 45.8 | Very low | 132 Ų | 132 | 155 Ų | 155 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -123.8 | 113.6 | 149.1 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 249 | Y | 36.2 | Very low | 45.2 | Very low | 225 Ų | 225 | 159.2 Ų | 159.2 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | trans | -86.1 | 125 | 171.8 | -129.1 | -86.6 | 0 | 0 | 0 | 108.9 | R251 | Y249-R251 PolarHBondContact O-N 3.45Š|
| 250 | P | 48.8 | Very low | 44.7 | Very low | 121 Ų | 121 | 159.9 Ų | 159.9 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -71.8 | 98.7 | 174.7 | 28.2 | -32.7 | 0 | 0 | 0 | 110.2 | | |
| 251 | R | 38.3 | Very low | 44.5 | Very low | 239 Ų | 239 | 156 Ų | 156 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | trans | -70.3 | 126.4 | 170.8 | 178.9 | -175.4 | -73.5 | -145.7 | -0.9 | 109.3 | Y249 | Y249-R251 PolarHBondContact O-N 3.45Š|
| 252 | G | 33.2 | Very low | 43.8 | Very low | 51 Ų | 51 | 159.9 Ų | 159.9 | 53% | 0.526 | 77% | 0.766 | S | S | . | * | | | trans | -78.6 | -167.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 253 | F | 38.6 | Very low | 43.2 | Very low | 202 Ų | 202 | 162.8 Ų | 162.8 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | | | trans | 74.7 | 138.1 | -171.1 | -58.5 | -79.5 | 0 | 0 | 0 | 114.4 | | |
| 254 | Q | 38.3 | Very low | 42.6 | Very low | 150 Ų | 150 | 162.5 Ų | 162.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | cis | -155.9 | 167.9 | -13.2 | -177.5 | 163.3 | -4.4 | 0 | 0 | 109.8 | | |
| 255 | E | 40.8 | Very low | 42 | Very low | 145 Ų | 145 | 167.4 Ų | 167.4 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -37.1 | 143.5 | 176.6 | -53.4 | 154.1 | 90.8 | 0 | 0 | 116.3 | | |
| 256 | N | 38.8 | Very low | 41.3 | Very low | 160 Ų | 160 | 167 Ų | 167 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -149.2 | 156.8 | 130.1 | -125.8 | -51.4 | 0 | 0 | 0 | 114.1 | | |
| 257 | K | 48.4 | Very low | 40.8 | Very low | 169 Ų | 169 | 166.1 Ų | 166.1 | 74% | 0.735 | 79% | 0.79 | S | S | * | * | | | trans | -81.3 | 155.7 | -160.2 | -64.8 | 158.9 | -179.5 | 168.9 | 0 | 114 | | |
| 258 | R | 47.5 | Very low | 40.4 | Very low | 230 Ų | 230 | 165.7 Ų | 165.7 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | trans | 89 | 88.7 | 171.1 | -55.7 | 173.9 | -70.3 | -175.9 | -1.7 | 115.8 | | |
| 259 | Y | 39.4 | Very low | 40.3 | Very low | 234 Ų | 234 | 168 Ų | 168 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | | | | -131.5 | 144.9 | 129.2 | -98.4 | -80.4 | 0 | 0 | 0 | 108.5 | | |
| 260 | E | 42.7 | Very low | 40 | Very low | 179 Ų | 179 | 169 Ų | 169 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -87.4 | 153.9 | -168.7 | -67.6 | 169 | 144.8 | 0 | 0 | 111.8 | Y262 | E260-Y262 PolarHBondContact O-N 3.2Š|
| 261 | S | 40.5 | Very low | 39.4 | Very low | 89 Ų | 89 | 169.9 Ų | 169.9 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | | | trans | -70.1 | 111.1 | -176.3 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | H263 | S261-H263 PolarHBondContact O-N 3.23Š|
| 262 | Y | 38.3 | Very low | 39.1 | Very low | 227 Ų | 227 | 163.7 Ų | 163.7 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | -61.3 | 101.5 | 168.1 | -84.6 | -91.2 | 0 | 0 | 0 | 110.6 | E260 S264 | E260-Y262 PolarHBondContact O-N 3.2Å; Y262-S264 PolarHBondContact O-N 3.2Å |
| 263 | H | 41.1 | Very low | 39.3 | Very low | 166 Ų | 166 | 169.3 Ų | 169.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -75.1 | 112 | 170.1 | -66.7 | -34.7 | 0 | 0 | 0 | 109.9 | S261 Q265 | S261-H263 PolarHBondContact O-N 3.23Å; H263-Q265 PolarHBondContact O-N 3.22Å |
| 264 | S | 41.7 | Very low | 39.3 | Very low | 101 Ų | 101 | 167.7 Ų | 167.7 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | trans | -68.7 | 117.2 | 172.8 | 44.3 | 0 | 0 | 0 | 0 | 110.4 | Y262 N266 | Y262-S264 PolarHBondContact O-N 3.2Å; S264-N266 VanDerWaalsContact C-N 3.29Å; S264-N266 PolarHBondContact O-N 3.13Å |
| 265 | Q | 38.9 | Very low | 39.2 | Very low | 181 Ų | 181 | 164.9 Ų | 164.9 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -82.8 | 66 | -166.4 | -163.6 | 169.6 | 5.1 | 0 | 0 | 112.4 | H263 V267 | H263-Q265 PolarHBondContact O-N 3.22Å; Q265-V267 PolarHBondContact O-N 3.48Å |
| 266 | N | 37.6 | Very low | 38.9 | Very low | 135 Ų | 135 | 164.3 Ų | 164.3 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | | | trans | -69.1 | 99.2 | 175.8 | -83.6 | -17 | 0 | 0 | 0 | 111.1 | S264 Y268 | S264-N266 VanDerWaalsContact C-N 3.29Å; S264-N266 PolarHBondContact O-N 3.13Å; N266-Y268 VanDerWaalsContact C-N 3.34Å; N266-Y268 PolarHBondContact O-N 2.96Å |
| 267 | V | 39.6 | Very low | 38.8 | Very low | 129 Ų | 129 | 164.6 Ų | 164.6 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | | | trans | -74.9 | 83.9 | 177 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | Q265 | Q265-V267 PolarHBondContact O-N 3.48Š|
| 268 | Y | 39.7 | Very low | 38 | Very low | 214 Ų | 214 | 165.6 Ų | 165.6 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 124.5 | 157.5 | -85.9 | -83.9 | 0 | 0 | 0 | 109.8 | N266 R270 | N266-Y268 VanDerWaalsContact C-N 3.34Å; N266-Y268 PolarHBondContact O-N 2.96Å; Y268-R270 PolarHBondContact O-N 2.97Å |
| 269 | Q | 38.3 | Very low | 37.6 | Very low | 182 Ų | 182 | 161.1 Ų | 161.1 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127.8 | -172.4 | -161.5 | 169.6 | 14 | 0 | 0 | 110.4 | V271 | Q269-V271 PolarHBondContact O-N 2.88Å; Q269-V271 VanDerWaalsContact O-N 3.14Å |
| 270 | R | 29.5 | Very low | 37.9 | Very low | 245 Ų | 245 | 154.5 Ų | 154.5 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58 | 116.5 | 177.6 | -80.4 | -179.2 | 169.7 | -179.5 | -3.2 | 110.8 | Y268 | Y268-R270 PolarHBondContact O-N 2.97Š|
| 271 | V | 36.1 | Very low | 37.6 | Very low | 140 Ų | 140 | 155 Ų | 155 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 136.2 | 152.8 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | Q269 | Q269-V271 PolarHBondContact O-N 2.88Å; Q269-V271 VanDerWaalsContact O-N 3.14Å |
| 272 | S | 32.4 | Very low | 37.6 | Very low | 108 Ų | 108 | 155.9 Ų | 155.9 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 125 | -169.2 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | N274 | S272-N274 PolarHBondContact O-N 3.05Å; S272-N274 VanDerWaalsContact O-N 3.16Å |
| 273 | L | 38.2 | Very low | 37.8 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | trans | -66.9 | 105.7 | 163.9 | -71.9 | 167.3 | 0 | 0 | 0 | 109.7 | | |
| 274 | N | 37 | Very low | 37.8 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -175.8 | 70.9 | 157.2 | -95.4 | -26.9 | 0 | 0 | 0 | 110.5 | S272 | S272-N274 PolarHBondContact O-N 3.05Å; S272-N274 VanDerWaalsContact O-N 3.16Å |
| 275 | A | 36.9 | Very low | 38 | Very low | 91 Ų | 91 | 150.3 Ų | 150.3 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | trans | -146 | 142.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 276 | P | 34.5 | Very low | 38.4 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | | | trans | -68.8 | 156.9 | 180 | -20.3 | 34 | 0 | 0 | 0 | 113.7 | | |
| 277 | M | 36.6 | Very low | 38.7 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | | | trans | -71.7 | 128.8 | -179.1 | 177.7 | 171.9 | 65 | 0 | 0 | 112.6 | | |
| 278 | E | 32.3 | Very low | 39 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | -131.1 | 134.9 | 158.6 | -171.4 | 159.5 | -139.9 | 0 | 0 | 109.5 | | |
| 279 | N | 37.4 | Very low | 39.9 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | | | trans | -92.1 | 124.3 | -173.7 | -70 | -59.7 | 0 | 0 | 0 | 111.1 | | |
| 280 | A | 47 | Very low | 40.6 | Very low | 95 Ų | 95 | 148.6 Ų | 148.6 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | 174.2 | 105.7 | 133.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 281 | M | 37.1 | Very low | 41.8 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | | | | -177.3 | 126.1 | 128.7 | -101.4 | 176.3 | -170.8 | 0 | 0 | 109.5 | | |
| 282 | S | 40.3 | Very low | 42.2 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -73 | 145.5 | 168.2 | 45.4 | 0 | 0 | 0 | 0 | 110.4 | D284 | S282-D284 PolarHBondContact O-N 3.06Š|
| 283 | P | 41.9 | Very low | 42.8 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | | | trans | -66.2 | 120.6 | 168.4 | 28.5 | -32.7 | 0 | 0 | 0 | 109.5 | T285 | P283-T285 PolarHBondContact O-N 3.45Å; P283-T285 VanDerWaalsContact O-N 3.15Å |
| 284 | D | 41.1 | Very low | 43.1 | Very low | 148 Ų | 148 | 146 Ų | 146 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -75.1 | 97.1 | 178.1 | -175.6 | 9.7 | 0 | 0 | 0 | 110.4 | S282 F286 | S282-D284 PolarHBondContact O-N 3.06Å; D284-F286 PolarHBondContact O-N 2.96Å |
| 285 | T | 45.5 | Very low | 43.2 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | | | trans | -92.1 | 77.2 | -176.6 | 53.6 | 0 | 0 | 0 | 0 | 112 | P283 E287 | P283-T285 PolarHBondContact O-N 3.45Å; P283-T285 VanDerWaalsContact O-N 3.15Å; T285-E287 PolarHBondContact O-N 2.86Å |
| 286 | F | 47.1 | Very low | 43.4 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | 28.2 | 67.7 | 159.2 | -84.4 | -90.8 | 0 | 0 | 0 | 115.5 | D284 N288 | D284-F286 PolarHBondContact O-N 2.96Å; F286-N288 PolarHBondContact O-N 3.19Å |
| 287 | E | 44.4 | Very low | 43.7 | Very low | 173 Ų | 173 | 154.2 Ų | 154.2 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -80.3 | 109.8 | -179.2 | -165.7 | 168 | -129.7 | 0 | 0 | 110.9 | T285 S289 | T285-E287 PolarHBondContact O-N 2.86Å; E287-S289 VanDerWaalsContact C-N 3.29Å; E287-S289 PolarHBondContact O-N 3.49Å |
| 288 | N | 45.5 | Very low | 43.7 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -75.4 | 73.3 | -175.1 | -65.1 | -65 | 0 | 0 | 0 | 112.1 | F286 E290 | F286-N288 PolarHBondContact O-N 3.19Å; N288-E290 VanDerWaalsContact C-N 3.26Å; N288-E290 PolarHBondContact O-N 2.66Å; N288-E290 VanDerWaalsContact O-N 3.1Å |
| 289 | S | 58.8 | Low | 44 | Very low | 98 Ų | 98 | 148.9 Ų | 148.9 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -77.7 | 13.1 | -167.6 | 79.3 | 0 | 0 | 0 | 0 | 116.5 | E287 N291 | E287-S289 VanDerWaalsContact C-N 3.29Å; E287-S289 PolarHBondContact O-N 3.49Å; S289-N291 VanDerWaalsContact C-N 3.27Å; S289-N291 PolarHBondContact O-N 3.38Å |
| 290 | E | 53.4 | Low | 44.7 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -76.4 | -6.4 | -170.1 | -158.1 | 173.2 | -168 | 0 | 0 | 114.2 | N288 | N288-E290 VanDerWaalsContact C-N 3.26Å; N288-E290 PolarHBondContact O-N 2.66Å; N288-E290 VanDerWaalsContact O-N 3.1Å |
| 291 | N | 54.5 | Low | 44.5 | Very low | 153 Ų | 153 | 151 Ų | 151 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -141.2 | 31.7 | -170.7 | -141.4 | -2.4 | 0 | 0 | 0 | 116 | S289 | S289-N291 VanDerWaalsContact C-N 3.27Å; S289-N291 PolarHBondContact O-N 3.38Å |
| 292 | M | 45.3 | Very low | 44.7 | Very low | 142 Ų | 142 | 148.8 Ų | 148.8 | 70% | 0.7 | 78% | 0.776 | S | S | * | * | | | trans | -97.6 | 120.6 | 172.4 | -77.8 | -62.5 | -70.8 | 0 | 0 | 112 | Y295 | M292-Y295 HydrophobicContact CE-CD2 4.17Å; M292-Y295 HydrophobicContact CE-CE2 4.24Å |
| 293 | P | 44.4 | Very low | 44.2 | Very low | 93 Ų | 93 | 153.2 Ų | 153.2 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | | | trans | -69.4 | 146.2 | 172.9 | 29.7 | -34 | 0 | 0 | 0 | 110.9 | Y295 | P293-Y295 WeakPolarHBondContact O-CD2 3.31Å; P293-Y295 PolarHBondContact O-N 2.91Å |
| 294 | F | 43.2 | Very low | 43.7 | Very low | 220 Ų | 220 | 151.5 Ų | 151.5 | 97% | 0.965 | 77% | 0.767 | S | S | * | * | | | trans | -52.9 | 98.6 | -168.5 | -59.5 | -86.3 | 0 | 0 | 0 | 115.2 | | |
| 295 | Y | 40.2 | Very low | 43.4 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | -83.2 | 114.6 | 161.3 | -82.2 | -87.4 | 0 | 0 | 0 | 109.7 | M292 P293 Q297 | M292-Y295 HydrophobicContact CE-CD2 4.17Å; M292-Y295 HydrophobicContact CE-CE2 4.24Å; P293-Y295 WeakPolarHBondContact O-CD2 3.31Å; P293-Y295 PolarHBondContact O-N 2.91Å; Y295-Q297 PolarHBondContact O-N 2.97Å |
| 296 | H | 41.5 | Very low | 42.8 | Very low | 185 Ų | 185 | 155.8 Ų | 155.8 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | -80.6 | 62.1 | -173.8 | -163.8 | -59.7 | 0 | 0 | 0 | 112 | S298 | H296-S298 PolarHBondContact O-N 3Š|
| 297 | Q | 40.8 | Very low | 42 | Very low | 187 Ų | 187 | 152.7 Ų | 152.7 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -70.1 | 98.4 | -178 | -162.5 | 169.5 | 15.1 | 0 | 0 | 110.6 | Y295 N299 | Y295-Q297 PolarHBondContact O-N 2.97Å; Q297-N299 PolarHBondContact O-N 2.86Å |
| 298 | S | 36.8 | Very low | 41.2 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | | | trans | -69.9 | 91.9 | -179.8 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | H296 T300 | H296-S298 PolarHBondContact O-N 3Å; S298-T300 PolarHBondContact O-N 3.46Å; S298-T300 VanDerWaalsContact O-N 3.13Å |
| 299 | N | 38.1 | Very low | 40.7 | Very low | 149 Ų | 149 | 149 Ų | 149 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | -66.2 | 113.1 | 172.1 | -164.8 | 14 | 0 | 0 | 0 | 109.4 | Q297 | Q297-N299 PolarHBondContact O-N 2.86Š|
| 300 | T | 51.7 | Low | 39.5 | Very low | 92 Ų | 92 | 153 Ų | 153 | 56% | 0.564 | 77% | 0.768 | S | S | * | * | | | trans | -72.2 | 162.4 | 169.9 | 41.3 | 0 | 0 | 0 | 0 | 109.7 | S298 | S298-T300 PolarHBondContact O-N 3.46Å; S298-T300 VanDerWaalsContact O-N 3.13Å |
| 301 | F | 43.1 | Very low | 38.5 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | | | trans | 65.1 | 76.8 | -176.1 | -40.9 | -77.6 | 0 | 0 | 0 | 115.5 | | |
| 302 | T | 41 | Very low | 37.4 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | S | Bend | | -163.5 | 123.5 | 108.7 | 15 | 0 | 0 | 0 | 0 | 114.8 | | |
| 303 | R | 30.2 | Very low | 36.8 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | 50.2 | 81.9 | 146.2 | -156.3 | 176.3 | -168.2 | 179.4 | 5.5 | 119 | F305 | R303-F305 HydrophobicContact CG-CE2 4.42Š|
| 304 | S | 30.3 | Very low | 36.1 | Very low | 77 Ų | 77 | 149 Ų | 149 | 54% | 0.538 | 78% | 0.775 | S | S | . | * | | | trans | -54.3 | 144.1 | 150 | 55 | 0 | 0 | 0 | 0 | 113 | F306 | S304-F306 VanDerWaalsContact CB-CE2 3.43Å; S304-F306 VanDerWaalsContact OG-CE2 3.31Å; S304-F306 WeakPolarHBondContact OG-CE2 3.43Å |
| 305 | F | 35.9 | Very low | 35.7 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -115.8 | 117.7 | 141.8 | -82.1 | -79.4 | 0 | 0 | 0 | 107.9 | R303 | R303-F305 HydrophobicContact CG-CE2 4.42Š|
| 306 | F | 32.5 | Very low | 35.4 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -90.8 | 135 | 179.3 | -70.6 | -87.2 | 0 | 0 | 0 | 111.1 | S304 | S304-F306 VanDerWaalsContact CB-CE2 3.43Å; S304-F306 VanDerWaalsContact OG-CE2 3.31Å; S304-F306 WeakPolarHBondContact OG-CE2 3.43Å |
| 307 | S | 30.5 | Very low | 35 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | | | trans | -127.2 | 124.2 | 144.8 | 57.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 308 | N | 28.4 | Very low | 34.7 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 57% | 0.572 | 74% | 0.743 | S | S | * | * | | | trans | -122.8 | 129.3 | -162.7 | 177.5 | 8.9 | 0 | 0 | 0 | 110.5 | F310 | N308-F310 VanDerWaalsContact ND2-CE2 3.27Å; N308-F310 WeakPolarHBondContact ND2-CE2 3.27Å |
| 309 | T | 33.7 | Very low | 34.7 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | | | trans | -126.8 | 124.8 | 165.1 | 45.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 310 | F | 33.4 | Very low | 34.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | trans | -77.7 | 155 | -169.2 | -83.5 | -117.2 | 0 | 0 | 0 | 113.7 | N308 | N308-F310 VanDerWaalsContact ND2-CE2 3.27Å; N308-F310 WeakPolarHBondContact ND2-CE2 3.27Å |
| 311 | G | 32.3 | Very low | 33.2 | Very low | 81 Ų | 81 | 149.3 Ų | 149.3 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | -170.9 | 86.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 312 | R | 31.3 | Very low | 32.4 | Very low | 240 Ų | 240 | 143.8 Ų | 143.8 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | | | trans | -129.3 | 103.6 | -168.4 | -176.7 | -170.5 | -175.6 | -101.8 | 6.8 | 113.6 | | |
| 313 | S | 33 | Very low | 32.8 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | trans | -152.4 | 152.9 | 149.9 | 71.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 314 | G | 29.8 | Very low | 32.8 | Very low | 60 Ų | 60 | 141.7 Ų | 141.7 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | | | cis | 83.7 | 121.2 | 29.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 315 | E | 35.2 | Very low | 32.8 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | cis | -156.5 | 166.5 | 9 | -78.4 | -165.2 | 83.3 | 0 | 0 | 112.2 | | |
| 316 | Q | 33.9 | Very low | 32.6 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | | | trans | 38.3 | 151 | 136.1 | -65.2 | -164 | 78.5 | 0 | 0 | 122.3 | | |
| 317 | R | 32.8 | Very low | 32.5 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | cis | 179.5 | 161.1 | -12.6 | -178.7 | -155.6 | -79.1 | -113.2 | 2.9 | 107.2 | | |
| 318 | R | 35.2 | Very low | 32.5 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | | | trans | 77.7 | 153.8 | 167.2 | -39.6 | 179.1 | -171.1 | -123.5 | 2.1 | 113.7 | | |
| 319 | F | 35.5 | Very low | 32.7 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | cis | -132.3 | 167.8 | 1.9 | -63.6 | -102.1 | 0 | 0 | 0 | 108.8 | | |
| 320 | G | 28.9 | Very low | 32.5 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | cis | 155.4 | 106.8 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 321 | Q | 29.8 | Very low | 32.3 | Very low | 204 Ų | 204 | 145 Ų | 145 | 95% | 0.953 | 77% | 0.771 | S | S | * | * | | | trans | 65.5 | 156.2 | 165.1 | -61 | 179.8 | -13 | 0 | 0 | 119.3 | | |
| 322 | G | 27.5 | Very low | 32 | Very low | 69 Ų | 69 | 145.7 Ų | 145.7 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | -109.3 | -142.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 323 | P | 48.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | | | cis | -140.6 | -153.9 | -3.5 | 43.3 | -23 | 0 | 0 | 0 | 113.4 | | |
| 324 | F | 30.3 | Very low | 31.9 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | 84.1 | 140.7 | 156.4 | -93.6 | -132.1 | 0 | 0 | 0 | 122.2 | | |
| 325 | W | 31.1 | Very low | 31.9 | Very low | 232 Ų | 232 | 150.3 Ų | 150.3 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | trans | -23.5 | 156.3 | 174.4 | -54.6 | 75.2 | 0 | 0 | 0 | 122.9 | | |
| 326 | G | 30.1 | Very low | 31.6 | Very low | 82 Ų | 82 | 147.3 Ų | 147.3 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | | | trans | 172.1 | 140.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 327 | Q | 31.5 | Very low | 31.4 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | trans | -130.5 | 145.7 | -177.9 | -152.9 | -160.8 | -13.5 | 0 | 0 | 112.9 | | |
| 328 | E | 30.5 | Very low | 31.4 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 60% | 0.603 | 76% | 0.76 | S | S | * | * | | | trans | 61.3 | 131.2 | 161.7 | -79.6 | -158.7 | 122.3 | 0 | 0 | 123.1 | | |
| 329 | K | 32.9 | Very low | 31.2 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | 44.7 | 120.4 | 139.1 | -64.5 | 170.2 | 176.9 | 152.7 | 0 | 120.6 | | |
| 330 | G | 29.8 | Very low | 30.8 | Very low | 70 Ų | 70 | 144.4 Ų | 144.4 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | -178.8 | 77 | 162 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 331 | H | 27.8 | Very low | 30.9 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | 33.8 | 125.3 | 149.9 | -59.9 | -82.2 | 0 | 0 | 0 | 123.8 | | |
| 332 | S | 26.7 | Very low | 31 | Very low | 97 Ų | 97 | 151.6 Ų | 151.6 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | 57.3 | 103.1 | 136.3 | 61.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 333 | F | 30.1 | Very low | 31.1 | Very low | 197 Ų | 197 | 153.6 Ų | 153.6 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | | 50.3 | 147.2 | 101.6 | -86.5 | -68.8 | 0 | 0 | 0 | 124.2 | | |
| 334 | W | 31.5 | Very low | 30.3 | Very low | 209 Ų | 209 | 157.4 Ų | 157.4 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | trans | 80.7 | 146.5 | 170.5 | -68.9 | 27.1 | 0 | 0 | 0 | 114.1 | F337 | W334-F337 HydrophobicContact CZ3-CZ 4.48Š|
| 335 | S | 29.7 | Very low | 30.2 | Very low | 107 Ų | 107 | 153.9 Ų | 153.9 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | cis | -137.2 | 167.1 | 31.5 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 336 | D | 29.7 | Very low | 30 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 52% | 0.524 | 77% | 0.766 | S | S | . | * | | | cis | -161.8 | 156.7 | -7.7 | -114.2 | -13.9 | 0 | 0 | 0 | 114 | | |
| 337 | F | 30.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | trans | 51.2 | 149 | 151.4 | -69.5 | -57.2 | 0 | 0 | 0 | 122.2 | W334 | W334-F337 HydrophobicContact CZ3-CZ 4.48Š|
| 338 | H | 32.9 | Very low | 30 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | | | cis | -138.6 | 169.3 | 14.3 | -83.3 | -63.8 | 0 | 0 | 0 | 114.6 | | |
| 339 | R | 29.1 | Very low | 30.1 | Very low | 229 Ų | 229 | 151.4 Ų | 151.4 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | trans | -3.4 | 152.6 | 151.6 | -72.5 | -179.7 | 175.3 | 161.5 | -2.1 | 120.5 | | |
| 340 | S | 27.9 | Very low | 30.1 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | cis | -174.1 | 144.7 | -7.7 | 49.9 | 0 | 0 | 0 | 0 | 115 | | |
| 341 | R | 32 | Very low | 30.5 | Very low | 233 Ų | 233 | 153.3 Ų | 153.3 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | | | trans | 40.9 | 124.1 | 145.5 | -69.5 | -173.6 | 175.5 | -172.4 | -0.9 | 121.7 | | |
| 342 | K | 30.4 | Very low | 30.9 | Very low | 188 Ų | 188 | 152 Ų | 152 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | trans | 89.9 | 141.9 | 135.1 | -83.2 | -170.4 | 173 | -169 | 0 | 121.6 | | |
| 343 | S | 30.2 | Very low | 31.3 | Very low | 111 Ų | 111 | 155.5 Ų | 155.5 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | 88.9 | 161 | 149.3 | -64 | 0 | 0 | 0 | 0 | 119.5 | | |
| 344 | F | 32.2 | Very low | 31.4 | Very low | 196 Ų | 196 | 153.5 Ų | 153.5 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | -95.1 | 173.3 | -164.5 | -63.1 | -97.8 | 0 | 0 | 0 | 113.8 | | |
| 345 | S | 27.6 | Very low | 31.3 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | 87.8 | 136.2 | 151.4 | -54.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 346 | S | 26.9 | Very low | 31.4 | Very low | 120 Ų | 120 | 152 Ų | 152 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | trans | 63.5 | 157.2 | 165.5 | 22.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 347 | S | 32.6 | Very low | 31.5 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | cis | -144.9 | 168.8 | -9.8 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 348 | D | 28.5 | Very low | 31.6 | Very low | 132 Ų | 132 | 151.2 Ų | 151.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -27.3 | 145.5 | 149.1 | -160.1 | 20 | 0 | 0 | 0 | 116.5 | | |
| 349 | R | 32.8 | Very low | 31.6 | Very low | 209 Ų | 209 | 150.6 Ų | 150.6 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | | | trans | 41.8 | 155.2 | 159.9 | -75.5 | 171.6 | -164.9 | -112.6 | 7.1 | 119.7 | | |
| 350 | D | 34 | Very low | 31.8 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 60% | 0.604 | 76% | 0.762 | S | S | * | * | | | cis | -148.8 | 178.8 | 48.3 | -98.2 | -50.7 | 0 | 0 | 0 | 111.1 | | |
| 351 | F | 37.8 | Very low | 32 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | cis | -142.8 | 132.6 | 38.2 | -79.2 | -97.4 | 0 | 0 | 0 | 115.7 | | |
| 352 | E | 35 | Very low | 32 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | | 42.4 | 124.9 | 124.9 | -55.2 | -174.1 | 149 | 0 | 0 | 121.9 | | |
| 353 | M | 35.1 | Very low | 32.1 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | | | trans | -155.4 | 92.4 | 142.1 | -105.2 | -84.3 | -75.4 | 0 | 0 | 110.6 | | |
| 354 | I | 32.3 | Very low | 32 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | 67.6 | 135.9 | 156.3 | -37.3 | 179.3 | 0 | 0 | 0 | 118.5 | | |
| 355 | S | 30.8 | Very low | 31.8 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -118.5 | 153.8 | -172.9 | -47.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 356 | M | 31.1 | Very low | 31.7 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | 174.7 | 144.8 | 153.1 | -99.7 | 171.3 | 159.1 | 0 | 0 | 109.3 | | |
| 357 | E | 31.2 | Very low | 31.8 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | cis | -158.5 | 145.4 | -16 | -173.9 | 161.2 | 149.9 | 0 | 0 | 111.9 | | |
| 358 | A | 33.2 | Very low | 31.5 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | | | trans | 45.4 | 145.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 125.2 | | |
| 359 | N | 33 | Very low | 31.6 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | 78 | 143 | 152.3 | -66.2 | -37.6 | 0 | 0 | 0 | 121.3 | | |
| 360 | S | 32.4 | Very low | 32 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | cis | -172.4 | 167.3 | -45.3 | 40.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 361 | V | 32.3 | Very low | 31.9 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | 74.4 | 106 | 164.9 | -166.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 362 | S | 33.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 13.7 | 114.9 | 138 | -54.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 363 | A | 31.2 | Very low | 31.4 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | | | | 73.2 | 172 | 109.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 364 | I | 29.6 | Very low | 31.2 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | trans | 81.7 | 103.7 | 166.1 | -57.5 | 175.6 | 0 | 0 | 0 | 117.3 | | |
| 365 | H | 27.3 | Very low | 31 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | | | | 31.8 | 123.9 | 128.1 | -167.9 | 103.5 | 0 | 0 | 0 | 119.7 | | |
| 366 | G | 25.9 | Very low | 31.1 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | trans | 175.5 | 125.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 367 | H | 28.5 | Very low | 31.2 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | | | trans | -83.7 | 149.8 | 174.5 | -101.9 | -87.8 | 0 | 0 | 0 | 112.5 | | |
| 368 | N | 25.7 | Very low | 31.5 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | 76.8 | 117.7 | 144.1 | -62.1 | -3.5 | 0 | 0 | 0 | 122.1 | | |
| 369 | V | 30.8 | Very low | 31.6 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | | 85.9 | 107.4 | 122 | 175.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 370 | S | 41.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | | | trans | 59.1 | 124 | 142.5 | 72.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 371 | S | 31.5 | Very low | 31.5 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | | -143 | 135.3 | 126.7 | 65 | 0 | 0 | 0 | 0 | 107.9 | | |
| 372 | E | 33.6 | Very low | 31.4 | Very low | 186 Ų | 186 | 130.9 Ų | 130.9 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | | | | 68.6 | 150.4 | 102.3 | -63.4 | 175 | 163.9 | 0 | 0 | 116.2 | | |
| 373 | H | 28.8 | Very low | 31.4 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 55% | 0.551 | 74% | 0.743 | S | S | * | * | | | cis | 175.8 | 132.8 | -30 | 166.7 | -92.2 | 0 | 0 | 0 | 106.5 | E375 | H373-E375 PolarHBondContact CE1-N 2.85Å; H373-E375 IonicContact CE1-OE2 3.36Å; H373-E375 PolarHBondContact CE1-OE2 3.24Å; H373-E375 WeakPolarHBondContact NE2-CG 3.33Å; H373-E375 IonicContact NE2-OE2 3.66Å |
| 374 | W | 30.5 | Very low | 31.5 | Very low | 250 Ų | 250 | 133.9 Ų | 133.9 | 95% | 0.947 | 74% | 0.742 | S | S | * | * | | | trans | -147.7 | 106.9 | 158.7 | -90.5 | 106.1 | 0 | 0 | 0 | 111.3 | | |
| 375 | E | 29.5 | Very low | 31.7 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 50% | 0.495 | 74% | 0.735 | S | S | . | * | | | trans | -65.1 | 153.3 | 160.8 | -89.6 | 171.6 | 139.1 | 0 | 0 | 110.6 | H373 F377 | H373-E375 PolarHBondContact CE1-N 2.85Å; H373-E375 IonicContact CE1-OE2 3.36Å; H373-E375 PolarHBondContact CE1-OE2 3.24Å; H373-E375 WeakPolarHBondContact NE2-CG 3.33Å; H373-E375 IonicContact NE2-OE2 3.66Å; E375-F377 HydrophobicContact CB-CE1 4.29Å; E375-F377 HydrophobicContact CB-CE2 4.15Å; E375-F377 HydrophobicContact CB-CZ 3.89Å; E375-F377 VanDerWaalsContact CD-CE1 3.49Å; E375-F377 VanDerWaalsContact CD-CZ 3.42Å; E375-F377 HydrophobicContact CG-CE1 4.12Å; E375-F377 HydrophobicContact CG-CZ 4.09Å; E375-F377 VanDerWaalsContact OE1-CE1 3.23Å; E375-F377 WeakPolarHBondContact OE1-CE1 3.23Å; E375-F377 WeakPolarHBondContact OE2-CZ 3.47Å |
| 376 | S | 32.6 | Very low | 31.9 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | | -161.3 | 118 | 90.5 | -71.1 | 0 | 0 | 0 | 0 | 114 | | |
| 377 | F | 34 | Very low | 32.1 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | | | | 52.3 | 148.4 | 122.8 | -50 | -47.5 | 0 | 0 | 0 | 121.5 | E375 | E375-F377 HydrophobicContact CB-CE1 4.29Å; E375-F377 HydrophobicContact CB-CE2 4.15Å; E375-F377 HydrophobicContact CB-CZ 3.89Å; E375-F377 VanDerWaalsContact CD-CE1 3.49Å; E375-F377 VanDerWaalsContact CD-CZ 3.42Å; E375-F377 HydrophobicContact CG-CE1 4.12Å; E375-F377 HydrophobicContact CG-CZ 4.09Å; E375-F377 VanDerWaalsContact OE1-CE1 3.23Å; E375-F377 WeakPolarHBondContact OE1-CE1 3.23Å; E375-F377 WeakPolarHBondContact OE2-CZ 3.47Å |
| 378 | S | 35.5 | Very low | 32.2 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | cis | -175.3 | 168.3 | -22.7 | -151.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 379 | S | 36.2 | Very low | 32.8 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | cis | -145.9 | -162.6 | 3.9 | 72.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 380 | G | 29.7 | Very low | 32.8 | Very low | 51 Ų | 51 | 136.7 Ų | 136.7 | 53% | 0.526 | 75% | 0.745 | S | S | . | * | | | cis | 171.3 | 165.8 | 2.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 381 | Y | 33.6 | Very low | 32.6 | Very low | 247 Ų | 247 | 138.6 Ų | 138.6 | 97% | 0.969 | 74% | 0.741 | S | S | * | * | | | trans | 64 | 142 | -174.2 | -50.5 | -88.6 | 0 | 0 | 0 | 115.1 | | |
| 382 | G | 29.6 | Very low | 33.3 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | cis | -172.7 | 144.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 383 | T | 34.2 | Very low | 33.4 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | trans | -32.9 | 164.8 | 152.3 | 27.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 384 | D | 32.5 | Very low | 34 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | cis | -166 | 167.5 | 26.2 | -122.6 | -22.6 | 0 | 0 | 0 | 116.7 | | |
| 385 | V | 33.4 | Very low | 34.1 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | | | trans | 45.1 | 107.1 | 140.3 | 175.9 | 0 | 0 | 0 | 0 | 123.8 | | |
| 386 | S | 32.6 | Very low | 34.2 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | | | | 45.3 | 151.2 | 122.1 | 99.9 | 0 | 0 | 0 | 0 | 127.1 | | |
| 387 | R | 30.6 | Very low | 34 | Very low | 246 Ų | 246 | 140.8 Ų | 140.8 | 93% | 0.928 | 75% | 0.75 | S | S | * | * | | | trans | 88.9 | 141.7 | 136 | -172.8 | -176.3 | -67.8 | -109.9 | 2.4 | 120.1 | | |
| 388 | G | 30.3 | Very low | 33.8 | Very low | 64 Ų | 64 | 139.6 Ų | 139.6 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | | | trans | 116.1 | 112.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 389 | Q | 37.6 | Very low | 33.9 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | | | cis | 58.4 | 99.3 | 28.6 | -75.2 | -73.5 | -49.3 | 0 | 0 | 113.6 | | |
| 390 | E | 31.6 | Very low | 33.5 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | | | | 177.5 | 141.7 | 115.6 | -167.8 | 145.4 | -137.3 | 0 | 0 | 110.2 | | |
| 391 | E | 37.8 | Very low | 33.5 | Very low | 152 Ų | 152 | 156 Ų | 156 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | | | trans | -100.2 | 147.8 | 172.4 | -140.5 | -172.7 | 155 | 0 | 0 | 107.8 | | |
| 392 | P | 45.3 | Very low | 33.4 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | | -156.2 | 168.5 | 89 | 39.9 | -20.8 | 0 | 0 | 0 | 117.2 | | |
| 393 | H | 35.2 | Very low | 33.4 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | -82.8 | 157 | 157.3 | -61 | -58.2 | 0 | 0 | 0 | 111 | | |
| 394 | P | 42.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 155 Ų | 155 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | | -155.8 | 142.6 | 85.2 | 38.3 | -17.6 | 0 | 0 | 0 | 119.5 | | |
| 395 | W | 31.1 | Very low | 33.4 | Very low | 217 Ų | 217 | 155.1 Ų | 155.1 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | 46.2 | 140 | 133.9 | -70.2 | 79.9 | 0 | 0 | 0 | 126 | | |
| 396 | Q | 31.3 | Very low | 33.4 | Very low | 136 Ų | 136 | 155.1 Ų | 155.1 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | | | trans | 71 | 155.7 | 152.1 | -83.9 | 160.1 | -15.1 | 0 | 0 | 118.5 | | |
| 397 | F | 30.1 | Very low | 33.9 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | | | cis | -159.7 | 172.6 | 5.4 | -118.1 | -39.1 | 0 | 0 | 0 | 108.2 | | |
| 398 | D | 28.2 | Very low | 34.1 | Very low | 128 Ų | 128 | 153.4 Ų | 153.4 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | | | cis | -158 | -172.8 | -8.9 | -163.3 | 12.9 | 0 | 0 | 0 | 110.9 | | |
| 399 | F | 38.4 | Very low | 34.4 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | | | trans | -83.4 | 160.2 | 179.9 | -88.7 | -97 | 0 | 0 | 0 | 117 | | |
| 400 | Q | 28.5 | Very low | 34.3 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -153.7 | 175.6 | 145.2 | -118.8 | -177.3 | 30.4 | 0 | 0 | 114.8 | | |
| 401 | R | 29.3 | Very low | 34.3 | Very low | 230 Ų | 230 | 151.9 Ų | 151.9 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | | | trans | -124 | 155.9 | -164.4 | -65 | 176.7 | 174.3 | 173.2 | -2.8 | 115 | | |
| 402 | S | 30.8 | Very low | 33.9 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -172.2 | 145.4 | 133.2 | 26.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 403 | T | 30.3 | Very low | 33.1 | Very low | 127 Ų | 127 | 149.7 Ų | 149.7 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | cis | 91.7 | 105 | 20.3 | -53.6 | 0 | 0 | 0 | 0 | 115 | | |
| 404 | L | 32.6 | Very low | 32.9 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | trans | -151.5 | 158.9 | 150.3 | -155.3 | 70.8 | 0 | 0 | 0 | 109.7 | | |
| 405 | D | 33.6 | Very low | 32.5 | Very low | 138 Ų | 138 | 151.2 Ų | 151.2 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | trans | -136 | 158.8 | -170.4 | -175.1 | 17.8 | 0 | 0 | 0 | 110.4 | | |
| 406 | S | 32.4 | Very low | 32.5 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -165.4 | 119.7 | 176 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 407 | M | 44.8 | Very low | 32.6 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | trans | -114.9 | 144.3 | 170.9 | -69 | -170.8 | -178.2 | 0 | 0 | 111.7 | | |
| 408 | V | 33.7 | Very low | 32.6 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | | | trans | -140.3 | 149.9 | 158.9 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 409 | V | 36.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | -133.4 | 144.6 | -163 | 169.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 410 | S | 35.4 | Very low | 33.4 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | | | trans | 40.5 | 140.3 | 158.7 | -61.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 411 | H | 31.7 | Very low | 33.5 | Very low | 201 Ų | 201 | 144.7 Ų | 144.7 | 93% | 0.931 | 79% | 0.788 | S | S | * | * | | | | -167 | 167.6 | 109.7 | -104 | -75 | 0 | 0 | 0 | 110.5 | | |
| 412 | G | 29.8 | Very low | 33.4 | Very low | 64 Ų | 64 | 137.5 Ų | 137.5 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | | | trans | -166.9 | 173.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 413 | N | 28.5 | Very low | 33.6 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -146.1 | 140.5 | 166.4 | -81.1 | -19.7 | 0 | 0 | 0 | 105.2 | | |
| 414 | E | 31.8 | Very low | 34.4 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | cis | 83.7 | 96.9 | 32 | -166.3 | 166.8 | -123.1 | 0 | 0 | 115.6 | | |
| 415 | T | 34 | Very low | 34.3 | Very low | 137 Ų | 137 | 136 Ų | 136 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | -169.7 | 95.9 | 147.6 | 36.1 | 0 | 0 | 0 | 0 | 105.1 | | |
| 416 | Q | 31.7 | Very low | 34.2 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | | 68.2 | 104.3 | 73.4 | -169.7 | -177.7 | 98.7 | 0 | 0 | 113.7 | | |
| 417 | L | 31.6 | Very low | 34 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -176.4 | 144.3 | 135.3 | -100.5 | 168 | 0 | 0 | 0 | 111.7 | | |
| 418 | T | 31.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | | | trans | -163.3 | -179.1 | -176.6 | 0.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 419 | P | 52.9 | Low | 33.2 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 53% | 0.526 | 76% | 0.757 | S | S | . | * | | | | -111.3 | -149.8 | -51.7 | 39.9 | -25.4 | 0 | 0 | 0 | 109.7 | F421 | P419-F421 HydrophobicContact CB-CD2 4.44Å; P419-F421 HydrophobicContact CG-CD2 4.15Å; P419-F421 HydrophobicContact CG-CE2 4.26Å |
| 420 | H | 29.1 | Very low | 32.9 | Very low | 164 Ų | 164 | 133 Ų | 133 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | 149.3 | 107.8 | 138.1 | -74.7 | -60.3 | 0 | 0 | 0 | 109.9 | | |
| 421 | F | 31 | Very low | 32.7 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | | | | 74.6 | 120.3 | 64.5 | -80 | -68.2 | 0 | 0 | 0 | 115.4 | P419 | P419-F421 HydrophobicContact CB-CD2 4.44Å; P419-F421 HydrophobicContact CG-CD2 4.15Å; P419-F421 HydrophobicContact CG-CE2 4.26Å |
| 422 | G | 27.6 | Very low | 32.9 | Very low | 78 Ų | 78 | 126.9 Ų | 126.9 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | 127.2 | 90.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 423 | T | 34.8 | Very low | 32.9 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | | | trans | -80.6 | 159.2 | 134.3 | 13.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 424 | P | 46.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | cis | -140 | -144.2 | 45.9 | 32.9 | -5.3 | 0 | 0 | 0 | 112 | | |
| 425 | N | 30.1 | Very low | 33.1 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | | | cis | -166.6 | 166.3 | 6.9 | -147.3 | 1.1 | 0 | 0 | 0 | 115 | | |
| 426 | V | 31.1 | Very low | 32.9 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 66% | 0.655 | 74% | 0.736 | S | S | * | * | | | trans | 63.8 | 120.6 | 139.5 | 149.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 427 | C | 28.2 | Very low | 32.9 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | | | trans | 66.7 | 158.9 | 142.8 | -72.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 428 | S | 31.2 | Very low | 32.9 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | | | cis | -162.9 | 163.5 | -3 | -120.6 | 0 | 0 | 0 | 0 | 114 | | |
| 429 | M | 31.6 | Very low | 32.7 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | | | trans | 65.8 | 132.6 | 147.4 | -73 | 150.7 | 64.6 | 0 | 0 | 119.1 | | |
| 430 | T | 30.2 | Very low | 31.5 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | | | | 68.8 | 127.4 | 71.3 | -45.7 | 0 | 0 | 0 | 0 | 113 | | |
| 431 | G | 31.5 | Very low | 31.7 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | | | cis | 164.5 | -153.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 432 | S | 36.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | | | trans | 80.5 | 156 | 174.5 | -129.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 433 | S | 28.2 | Very low | 31.5 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | | | cis | -158.3 | 139.9 | 14.6 | 72.6 | 0 | 0 | 0 | 0 | 118 | | |
| 434 | Y | 34.1 | Very low | 31.2 | Very low | 190 Ų | 190 | 125 Ų | 125 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | | | trans | 62.8 | 161.5 | 150.5 | -39.3 | -45.5 | 0 | 0 | 0 | 119.7 | | |
| 435 | H | 30.3 | Very low | 30.3 | Very low | 160 Ų | 160 | 126 Ų | 126 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | | | cis | -143.6 | 133.2 | -4.3 | -93.4 | -54.5 | 0 | 0 | 0 | 108 | | |
| 436 | V | 30.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | | | | 84.8 | 113.9 | 76.3 | 174 | 0 | 0 | 0 | 0 | 117.2 | | |
| 437 | K | 30.5 | Very low | 30.1 | Very low | 191 Ų | 191 | 125.6 Ų | 125.6 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | | | trans | 70 | 163.6 | 156.9 | -78.6 | 179.7 | 178.8 | -172.6 | 0 | 120.6 | | |
| 438 | S | 31.9 | Very low | 30.3 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | | | cis | -179.7 | 159.6 | -35.9 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 439 | S | 27.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | | | trans | 68.6 | 168.9 | 164.6 | -77.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 440 | E | 27.6 | Very low | 30.6 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 71% | 0.71 | 72% | 0.72 | S | S | * | * | | | cis | 179.5 | 134.9 | -32.1 | -177.2 | 168.3 | 173.8 | 0 | 0 | 111.7 | | |
| 441 | L | 33.2 | Very low | 30.5 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | | | trans | 51.5 | 141 | 155.5 | -68.8 | 172.7 | 0 | 0 | 0 | 124 | | |
| 442 | V | 28.6 | Very low | 30.7 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | | | trans | 75.8 | 142.5 | 132.9 | 159.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 443 | S | 27.3 | Very low | 30.3 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | | | cis | -172.7 | -174.8 | -19 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 444 | Q | 28.6 | Very low | 30.6 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | | | trans | 69.4 | 157.3 | 153.5 | -80.1 | -172.2 | -44.6 | 0 | 0 | 119.2 | | |
| 445 | Q | 28 | Very low | 30.4 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | | | cis | -160.8 | 175.4 | -33.6 | -136.6 | 178.4 | -91.5 | 0 | 0 | 109.4 | | |
| 446 | D | 26.9 | Very low | 30.6 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | | | trans | 65.5 | 118.7 | 147.7 | -64 | -13.6 | 0 | 0 | 0 | 123.7 | | |
| 447 | S | 28.9 | Very low | 30.7 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | | | | 81.2 | 157 | 124.4 | -61.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 448 | S | 32.7 | Very low | 30.8 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | trans | -100.1 | 178.4 | -177.1 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 449 | P | 40.7 | Very low | 30.6 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | | | trans | -129.1 | 172.4 | 134.7 | 37.7 | -30.4 | 0 | 0 | 0 | 113.7 | | |
| 450 | V | 29.5 | Very low | 30.9 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | trans | -136.7 | 131.5 | -179.4 | 168.6 | 0 | 0 | 0 | 0 | 109.1 | V452 | V450-V452 HydrophobicContact CG1-CG2 4.29Š|
| 451 | E | 28.1 | Very low | 31.2 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -173.2 | 122.3 | 151.2 | -104.5 | 166.2 | 162.4 | 0 | 0 | 106.5 | | |
| 452 | V | 34.1 | Very low | 30.9 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 66% | 0.655 | 75% | 0.747 | S | S | * | * | | | | 75.8 | 107.8 | 50.3 | 179.6 | 0 | 0 | 0 | 0 | 113.2 | V450 | V450-V452 HydrophobicContact CG1-CG2 4.29Š|
| 453 | H | 29.7 | Very low | 31.1 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | trans | 170.6 | 148.9 | 147.2 | -109.8 | -100.3 | 0 | 0 | 0 | 109.2 | | |
| 454 | I | 33.6 | Very low | 31.2 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 60% | 0.6 | 76% | 0.759 | S | S | * | * | | | cis | -162.1 | 144.3 | -42 | -129.6 | 167.8 | 0 | 0 | 0 | 108.8 | | |
| 455 | N | 29.3 | Very low | 31.4 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | 40.5 | 130.6 | 158.3 | -54.1 | -10.3 | 0 | 0 | 0 | 122.6 | | |
| 456 | K | 35.1 | Very low | 31.4 | Very low | 209 Ų | 209 | 134.8 Ų | 134.8 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | | -170.6 | 133.1 | 104 | -103.8 | 171.4 | -175.9 | 178.4 | 0 | 113.9 | | |
| 457 | E | 33.5 | Very low | 31.6 | Very low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -115 | 151.7 | 165.4 | -67.1 | -174.7 | 127.4 | 0 | 0 | 110.8 | | |
| 458 | A | 32.7 | Very low | 31.6 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | | | trans | -167.9 | 121.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 459 | S | 27.4 | Very low | 31.5 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | | 61.5 | 125.9 | 62.4 | -53 | 0 | 0 | 0 | 0 | 113 | | |
| 460 | S | 32.8 | Very low | 31.1 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | cis | 160.6 | 116.5 | -17.3 | 41.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 461 | F | 34.3 | Very low | 31.2 | Very low | 222 Ų | 222 | 136.6 Ų | 136.6 | 97% | 0.974 | 76% | 0.764 | S | S | * | * | | | trans | -157 | 156 | 168.3 | -73.9 | -65.8 | 0 | 0 | 0 | 109.5 | | |
| 462 | G | 27 | Very low | 31.4 | Very low | 62 Ų | 62 | 136.1 Ų | 136.1 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | | | cis | 172.2 | 41.3 | 0.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 463 | I | 32.5 | Very low | 31.1 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | | | trans | 71.3 | 147.3 | 156.9 | -63.8 | 169.9 | 0 | 0 | 0 | 118.8 | | |
| 464 | A | 30.2 | Very low | 31.1 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | 74.5 | 155.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 465 | Q | 31.4 | Very low | 30.9 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | cis | -170.4 | 151.8 | -36.5 | -151.9 | 173.4 | 23.7 | 0 | 0 | 112 | | |
| 466 | T | 28.8 | Very low | 30.9 | Very low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | trans | 83.2 | 148.9 | 149.5 | -7 | 0 | 0 | 0 | 0 | 122.5 | | |
| 467 | L | 30.4 | Very low | 30.7 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | trans | 75.5 | 138.2 | 161.5 | -57.7 | 172.3 | 0 | 0 | 0 | 118.6 | | |
| 468 | A | 30.7 | Very low | 30.6 | Very low | 82 Ų | 82 | 130.3 Ų | 130.3 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | cis | -167.3 | 160.4 | -17.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 469 | S | 30.1 | Very low | 30.5 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | 73.7 | 153.7 | 157.9 | -119.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 470 | S | 32.5 | Very low | 30.8 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | cis | -148.7 | 137.9 | 5.6 | 83.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 471 | F | 31.2 | Very low | 30.7 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | 48.6 | 148.2 | 139.8 | -55.5 | -41 | 0 | 0 | 0 | 123.7 | | |
| 472 | K | 31.8 | Very low | 30.9 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | | | cis | -167.2 | 139 | -25.7 | -148 | -171 | 177.1 | -177.5 | 0 | 112 | | |
| 473 | T | 28.6 | Very low | 31 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | | | trans | -4.5 | 142.1 | 159.5 | 60.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 474 | S | 28.9 | Very low | 31 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | | -157.4 | 162.6 | 127 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 475 | F | 30.7 | Very low | 31.4 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | trans | -108 | 178.1 | -178.2 | -69.8 | -96.4 | 0 | 0 | 0 | 109.7 | | |
| 476 | S | 28.9 | Very low | 31.4 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | cis | -163.1 | 133.9 | 35.9 | -57.5 | 0 | 0 | 0 | 0 | 116 | | |
| 477 | Q | 29.6 | Very low | 31.6 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | | 31.4 | 118.2 | 118.9 | -159.9 | 167.7 | 1.5 | 0 | 0 | 122.6 | | |
| 478 | I | 31.1 | Very low | 32.2 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | 60.6 | 127.7 | 141.2 | -62.3 | 170.8 | 0 | 0 | 0 | 121.1 | | |
| 479 | S | 31.1 | Very low | 32 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | | -149 | 118.5 | 125.8 | -167.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 480 | D | 34 | Very low | 32.2 | Very low | 160 Ų | 160 | 149 Ų | 149 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -118.2 | 106 | 172.1 | -176 | 18.9 | 0 | 0 | 0 | 106.2 | | |
| 481 | D | 31.6 | Very low | 32.2 | Very low | 130 Ų | 130 | 153.5 Ų | 153.5 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | | | trans | -120.7 | 136.4 | -174.2 | -170.8 | 20.7 | 0 | 0 | 0 | 112.2 | | |
| 482 | R | 37.3 | Very low | 32.2 | Very low | 239 Ų | 239 | 152 Ų | 152 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -112.2 | 86.6 | -161.9 | -179.3 | -179.5 | 172.5 | -106.4 | 2.4 | 110 | | |
| 483 | R | 29.8 | Very low | 32.5 | Very low | 231 Ų | 231 | 148.9 Ų | 148.9 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -125.6 | 148 | 173.7 | -103.9 | 179.3 | 174.9 | -168.5 | -1 | 114.1 | | |
| 484 | N | 32.3 | Very low | 32.7 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -63.2 | 149.6 | -174.6 | -73.7 | -22.8 | 0 | 0 | 0 | 112.4 | Q486 | N484-Q486 PolarHBondContact O-N 3.21Š|
| 485 | P | 37.8 | Very low | 33 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -67.1 | 124.1 | 175 | 28.7 | -34.3 | 0 | 0 | 0 | 110.5 | | |
| 486 | Q | 32.5 | Very low | 33.2 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | -119.2 | 120 | 168.3 | -145.2 | 170.6 | -3.6 | 0 | 0 | 108 | N484 | N484-Q486 PolarHBondContact O-N 3.21Š|
| 487 | S | 32.8 | Very low | 33.4 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 132.5 | -171.2 | 53.6 | 0 | 0 | 0 | 0 | 113 | | |
| 488 | P | 42.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 157 | 148.2 | 33.7 | -28.4 | 0 | 0 | 0 | 110.7 | | |
| 489 | N | 28 | Very low | 33.8 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 161.9 | -171.8 | -153 | -15 | 0 | 0 | 0 | 112.1 | | |
| 490 | L | 33.1 | Very low | 34 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | | | trans | -3 | 121.1 | 166.3 | -72.9 | 161 | 0 | 0 | 0 | 118.6 | | |
| 491 | Q | 32.5 | Very low | 34 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -157.8 | 120.6 | 134.1 | -114.2 | 167.5 | 26.7 | 0 | 0 | 111.8 | | |
| 492 | N | 30.5 | Very low | 34.3 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | trans | -95.6 | 127.9 | 172.9 | -69.1 | -21.7 | 0 | 0 | 0 | 110 | | |
| 493 | P | 39.9 | Very low | 34 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | | | trans | -104.5 | 104.4 | 157.7 | 33 | -24.4 | 0 | 0 | 0 | 110.2 | V495 | P493-V495 PolarHBondContact O-N 3.16Å; P493-V495 VanDerWaalsContact O-N 3.16Å |
| 494 | T | 32.9 | Very low | 34.1 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | trans | -66.5 | 110.4 | 169.3 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 495 | V | 34.3 | Very low | 34.5 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -127 | 124.7 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | P493 L497 | P493-V495 PolarHBondContact O-N 3.16Å; P493-V495 VanDerWaalsContact O-N 3.16Å; V495-L497 PolarHBondContact O-N 3.05Å |
| 496 | T | 35.4 | Very low | 34.1 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | -67.4 | 119.3 | 177.9 | 37.5 | 0 | 0 | 0 | 0 | 111.4 | Q498 | T496-Q498 PolarHBondContact O-N 3.38Š|
| 497 | L | 32.6 | Very low | 34.1 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -90.4 | 101.4 | 176.1 | -145.1 | 169.1 | 0 | 0 | 0 | 109.5 | V495 | V495-L497 PolarHBondContact O-N 3.05Š|
| 498 | Q | 35.3 | Very low | 34.1 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -74.6 | 150.4 | 178.7 | -71.5 | -171.3 | -4.3 | 0 | 0 | 112.5 | T496 I500 | T496-Q498 PolarHBondContact O-N 3.38Å; Q498-I500 PolarHBondContact O-N 3.49Å; Q498-I500 VanDerWaalsContact O-N 3.13Å |
| 499 | K | 33.8 | Very low | 34.2 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 73% | 0.726 | 79% | 0.788 | S | S | * | * | | | trans | -65.9 | 100.9 | -176.2 | -177.4 | 177.3 | -178.1 | 175.6 | 0 | 112.1 | F501 | K499-F501 HydrophobicContact CD-CE2 4.01Å; K499-F501 HydrophobicContact CD-CZ 3.98Å; K499-F501 HydrophobicContact CG-CD2 4.41Å; K499-F501 HydrophobicContact CG-CE2 4.03Å; K499-F501 HydrophobicContact CG-CZ 4.38Å |
| 500 | I | 35.7 | Very low | 34.2 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 121.6 | 172.4 | -61.1 | 177.6 | 0 | 0 | 0 | 109.5 | Q498 | Q498-I500 PolarHBondContact O-N 3.49Å; Q498-I500 VanDerWaalsContact O-N 3.13Å |
| 501 | F | 32.9 | Very low | 34.1 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 62% | 0.618 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 131.7 | 171.2 | -69.5 | -99 | 0 | 0 | 0 | 110.3 | K499 | K499-F501 HydrophobicContact CD-CE2 4.01Å; K499-F501 HydrophobicContact CD-CZ 3.98Å; K499-F501 HydrophobicContact CG-CD2 4.41Å; K499-F501 HydrophobicContact CG-CE2 4.03Å; K499-F501 HydrophobicContact CG-CZ 4.38Å |
| 502 | P | 37.4 | Very low | 34 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 125.8 | 172.3 | 30.2 | -32.5 | 0 | 0 | 0 | 110.9 | | |
| 503 | N | 31.8 | Very low | 34 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 127.1 | 179.7 | -83.1 | -54.1 | 0 | 0 | 0 | 112.7 | | |
| 504 | K | 31.7 | Very low | 33.7 | Very low | 194 Ų | 194 | 149.3 Ų | 149.3 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | 18.1 | 126.1 | 151.8 | -153.3 | 171.3 | -171.5 | 174.7 | 0 | 119.3 | | |
| 505 | P | 40.8 | Very low | 33.7 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 160.7 | 178.8 | 31.4 | -36.5 | 0 | 0 | 0 | 114.1 | | |
| 506 | A | 30 | Very low | 33.5 | Very low | 97 Ų | 97 | 151.5 Ų | 151.5 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 158 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 507 | S | 31.8 | Very low | 33.2 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -92 | 139.2 | -178.6 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 508 | H | 33 | Very low | 33.1 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 152.6 | 170.2 | -66.6 | -79.8 | 0 | 0 | 0 | 112.2 | | |
| 509 | P | 44.1 | Very low | 32.8 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 152 | -174.5 | 33.7 | -35.9 | 0 | 0 | 0 | 114.4 | | |
| 510 | M | 29.6 | Very low | 32.5 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | trans | -106.4 | 132.1 | 174.6 | -73.9 | 170 | 53.3 | 0 | 0 | 113 | | |
| 511 | R | 30.2 | Very low | 32.4 | Very low | 241 Ų | 241 | 143.6 Ų | 143.6 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -174.8 | 154.5 | 145.2 | -109.2 | 174.5 | 172.5 | 176.1 | -3.5 | 108.6 | | |
| 512 | S | 29.5 | Very low | 32.3 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | cis | -146.1 | 172.1 | 5.7 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 513 | H | 30.7 | Very low | 32 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | | | trans | -76.8 | 159.3 | -169.8 | -48 | -97 | 0 | 0 | 0 | 115 | | |
| 514 | T | 33.4 | Very low | 32.1 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | -140.2 | 140.3 | 143.9 | -61.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 515 | E | 32.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 77% | 0.771 | 82% | 0.815 | S | S | * | * | | | trans | -125.4 | 129.2 | -172.4 | 175.9 | -179.7 | -166.7 | 0 | 0 | 109.7 | | |
| 516 | V | 30.5 | Very low | 31.7 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -141.1 | 126.6 | 163 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 517 | T | 28.8 | Very low | 31.9 | Very low | 106 Ų | 106 | 143 Ų | 143 | 65% | 0.65 | 81% | 0.813 | S | S | * | * | | | trans | -98.7 | 144 | 180 | -3.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 518 | V | 30.4 | Very low | 32.5 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | | | trans | -151.5 | 151.9 | 143.3 | 161.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 519 | T | 29.8 | Very low | 32.5 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | trans | -115.9 | 170.7 | -169.9 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 520 | S | 27.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | 72.3 | 147.2 | 168.2 | 76.5 | 0 | 0 | 0 | 0 | 116 | | |
| 521 | S | 32.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | cis | -140.9 | 165.3 | 27.6 | 54 | 0 | 0 | 0 | 0 | 114.4 | | |
| 522 | N | 31.8 | Very low | 31.9 | Very low | 162 Ų | 162 | 136 Ų | 136 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | | | trans | -94.8 | 150.8 | 177.1 | -60.2 | -37.5 | 0 | 0 | 0 | 111.4 | | |
| 523 | S | 29.8 | Very low | 32.2 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | | | trans | -150.1 | 140.3 | 147.6 | -164.3 | 0 | 0 | 0 | 0 | 110 | | |
| 524 | V | 35.6 | Very low | 32.7 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | -133 | 126.5 | 179.6 | 172.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 525 | D | 31.2 | Very low | 32.5 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 175.5 | 154.2 | 156.8 | -95.7 | -34.9 | 0 | 0 | 0 | 109.3 | | |
| 526 | S | 31.2 | Very low | 32.5 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | cis | -163.3 | 153.4 | -32.7 | -106.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 527 | L | 34.4 | Very low | 32.8 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -84.2 | 177 | 171.8 | -113.5 | 80.7 | 0 | 0 | 0 | 110.4 | | |
| 528 | P | 46.1 | Very low | 32.9 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | | | cis | -140.6 | 176.2 | 16 | 42.6 | -23.5 | 0 | 0 | 0 | 118.6 | | |
| 529 | L | 31.8 | Very low | 33.3 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -21.4 | 132.5 | 151.1 | 180 | 75.3 | 0 | 0 | 0 | 118.3 | | |
| 530 | A | 28.7 | Very low | 33.5 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | -152.4 | 155.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 531 | K | 31.4 | Very low | 34 | Very low | 207 Ų | 207 | 138.3 Ų | 138.3 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | | | trans | -86.2 | 147.4 | -179.3 | -63.1 | 170.5 | 177 | 174.6 | 0 | 112.5 | | |
| 532 | S | 31.1 | Very low | 34.4 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -172 | 136.5 | 130.2 | 38.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 533 | Q | 35.4 | Very low | 34.7 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -107.2 | 155.6 | 138.2 | -76.1 | -171.3 | -35.2 | 0 | 0 | 106.2 | | |
| 534 | P | 42.6 | Very low | 35 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | | | | -145.7 | 160.4 | 97.5 | 38.1 | -23 | 0 | 0 | 0 | 115.7 | | |
| 535 | N | 28.7 | Very low | 34.9 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | trans | 25.6 | 140.9 | 140.1 | -48.5 | -12.5 | 0 | 0 | 0 | 121.2 | | |
| 536 | I | 32.7 | Very low | 35.1 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | | -163.8 | 144.8 | 122.4 | -105.1 | 154.5 | 0 | 0 | 0 | 111.8 | | |
| 537 | L | 36.6 | Very low | 35.4 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | | | trans | 9.3 | 141.4 | 170.7 | -76 | 76.6 | 0 | 0 | 0 | 120.8 | | |
| 538 | V | 31.3 | Very low | 35.4 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | | | cis | 71.4 | 92.8 | 25.7 | -167.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 539 | T | 38.6 | Very low | 34.7 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -149.9 | 97.7 | 155.3 | -41.3 | 0 | 0 | 0 | 0 | 105.5 | | |
| 540 | E | 33.8 | Very low | 34.9 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | | | | 59.8 | 100.5 | 83 | -169.6 | 170.1 | -150.7 | 0 | 0 | 114 | N542 | E540-N542 PolarHBondContact OE1-ND2 3.36Š|
| 541 | V | 38.5 | Very low | 35.4 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | | | trans | -141.5 | 113.3 | 154 | 178 | 0 | 0 | 0 | 0 | 106.6 | | |
| 542 | N | 41.4 | Very low | 35.7 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 65% | 0.647 | 80% | 0.804 | S | S | * | * | | | trans | -88.8 | 155.4 | 173.4 | -59.7 | -55.3 | 0 | 0 | 0 | 110.2 | E540 | E540-N542 PolarHBondContact OE1-ND2 3.36Š|
| 543 | N | 38.1 | Very low | 36.1 | Very low | 152 Ų | 152 | 151 Ų | 151 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | -132.5 | 126.8 | 160.1 | -73.7 | -70 | 0 | 0 | 0 | 107.5 | | |
| 544 | E | 35.3 | Very low | 36.1 | Very low | 274 Ų | 274 | 147.7 Ų | 147.7 | 100% | 1.28 | 80% | 0.796 | S | S | * | * | | | trans | 55.8 | 0 | -174.9 | -70.3 | -175 | 126.3 | 0 | 0 | 117.2 | | |