| 1 | M | 43.5 | Very low | 43.1 | Very low | 120 Ų | 120 | 112 Ų | 112 | 59% | 0.591 | 61% | 0.605 | S | S | * | * | | | | 0 | 115.1 | 0 | -162.9 | -179.9 | -66.2 | 0 | 0 | 108 | L204 | M1-L204 HydrophobicContact SD-CD2 3.72Š|
| 2 | V | 33 | Very low | 43.5 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 68% | 0.679 | 61% | 0.609 | S | S | * | * | | | trans | -107.8 | 118 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 3 | G | 37.3 | Very low | 44.1 | Very low | 32 Ų | 32 | 113.9 Ų | 113.9 | 33% | 0.33 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -101.1 | 133.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 4 | H | 40.6 | Very low | 44.4 | Very low | 155 Ų | 155 | 117.9 Ų | 117.9 | 72% | 0.718 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 131.3 | 174.1 | -64.6 | -77.5 | 0 | 0 | 0 | 109.8 | | |
| 5 | L | 38.5 | Very low | 44.3 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 51% | 0.513 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.5 | 177.9 | 179.1 | 66.6 | 0 | 0 | 0 | 109.5 | | |
| 6 | H | 48.4 | Very low | 44.5 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 61% | 0.606 | 66% | 0.662 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.8 | 175.9 | -162.6 | -65.8 | 0 | 0 | 0 | 110.3 | | |
| 7 | L | 42.3 | Very low | 44.3 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 62% | 0.623 | 68% | 0.675 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.2 | 174.3 | -63.1 | 175.2 | 0 | 0 | 0 | 108.4 | | |
| 8 | Q | 51.3 | Low | 44 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 60% | 0.603 | 68% | 0.678 | S | S | * | * | | | trans | -118.5 | 124.8 | 176.4 | -168.3 | 173.3 | 18.9 | 0 | 0 | 109.6 | | |
| 9 | A | 47.6 | Very low | 43.9 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | | | trans | -89.7 | 130.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 10 | M | 45.6 | Very low | 44 | Very low | 107 Ų | 107 | 134 Ų | 134 | 53% | 0.527 | 70% | 0.697 | S | S | . | * | | | trans | -109.5 | 132.3 | 170.6 | -65.4 | -145.6 | 85.8 | 0 | 0 | 109.7 | W197 | M10-W197 HydrophobicContact CB-CH2 4.16Å; M10-W197 HydrophobicContact CB-CZ2 3.47Å; M10-W197 VanDerWaalsContact CB-CZ2 3.47Å; M10-W197 HydrophobicContact CG-CH2 3.79Å; M10-W197 HydrophobicContact CG-CZ2 3.61Å; M10-W197 HydrophobicContact SD-CH2 3.72Å; M10-W197 HydrophobicContact SD-CZ2 3.65Å |
| 11 | D | 45.7 | Very low | 43.9 | Very low | 147 Ų | 147 | 131 Ų | 131 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | | | trans | -96.7 | 140.3 | 178.2 | -134.5 | -53.6 | 0 | 0 | 0 | 110.3 | S13 | D11-S13 PolarHBondContact O-N 3.31Š|
| 12 | E | 47.8 | Very low | 43.8 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 65% | 0.654 | 71% | 0.709 | S | S | * | * | | | trans | -83.2 | 92.3 | -179.2 | -76.2 | -168.3 | 148.3 | 0 | 0 | 110.4 | | |
| 13 | S | 52.1 | Low | 44.6 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | | | trans | -104.1 | 69.9 | 161.3 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | D11 | D11-S13 PolarHBondContact O-N 3.31Š|
| 14 | L | 48.3 | Very low | 44.9 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 89% | 0.885 | 74% | 0.738 | S | S | * | * | | | trans | -117.6 | 81.4 | 164.7 | -68.5 | 178.2 | 0 | 0 | 0 | 109.3 | G16 | L14-G16 PolarHBondContact O-N 3.24Š|
| 15 | K | 42.5 | Very low | 45.3 | Very low | 202 Ų | 202 | 138.1 Ų | 138.1 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | | | trans | -61.6 | 114.2 | 170.1 | -172.1 | 167.2 | -178.8 | -177.8 | 0 | 109.1 | | |
| 16 | G | 48.2 | Very low | 46.2 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | | | trans | -59.4 | 142.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L14 | L14-G16 PolarHBondContact O-N 3.24Š|
| 17 | K | 40.3 | Very low | 46.2 | Very low | 204 Ų | 204 | 140.5 Ų | 140.5 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | | | trans | -129.9 | 90.7 | 156.4 | 45.3 | 172.8 | 175.1 | 176.5 | 0 | 108 | | |
| 18 | N | 39.7 | Very low | 46.9 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -71.6 | 122.9 | 164.1 | -175 | -59.6 | 0 | 0 | 0 | 107.8 | E20 | N18-E20 PolarHBondContact OD1-N 3.16Š|
| 19 | R | 41.9 | Very low | 46.7 | Very low | 234 Ų | 234 | 137.4 Ų | 137.4 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -140.7 | 92 | 156.4 | -68.4 | -169.7 | 90.7 | 177.5 | 5.5 | 107.8 | | |
| 20 | E | 45.9 | Very low | 47 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -4.8 | 117.8 | 133.5 | 3.9 | 161.7 | -168.1 | 0 | 0 | 114.2 | N18 | N18-E20 PolarHBondContact OD1-N 3.16Š|
| 21 | G | 40.9 | Very low | 47.7 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | 173.4 | 95.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 22 | L | 42.4 | Very low | 47.9 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | | | trans | 46.6 | 113 | 134 | -160.8 | 71 | 0 | 0 | 0 | 119.8 | | |
| 23 | L | 49.8 | Very low | 47.9 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | | | trans | 62.6 | 122.5 | 149.1 | -58.3 | 172 | 0 | 0 | 0 | 119.9 | | |
| 24 | D | 43.7 | Very low | 47.7 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | | 145.1 | 124.5 | 111.8 | -159.7 | 12.4 | 0 | 0 | 0 | 110 | P26 | D24-P26 WeakPolarHBondContact O-CD 3.45Š|
| 25 | S | 48.5 | Very low | 47.5 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -83.6 | 120.8 | -178.4 | -56.5 | 0 | 0 | 0 | 0 | 108 | D27 | S25-D27 PolarHBondContact O-N 3.44Š|
| 26 | P | 58 | Low | 47.6 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -75.6 | 116 | 170.3 | 29.5 | -28.5 | 0 | 0 | 0 | 108.8 | D24 | D24-P26 WeakPolarHBondContact O-CD 3.45Š|
| 27 | D | 48.3 | Very low | 48 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -27.6 | 134.3 | 162.5 | -166.2 | 4 | 0 | 0 | 0 | 114.1 | S25 G29 | S25-D27 PolarHBondContact O-N 3.44Å; D27-G29 PolarHBondContact O-N 3.41Å |
| 28 | S | 56.2 | Low | 47.9 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -74.8 | 74.5 | 178.7 | -67.1 | 0 | 0 | 0 | 0 | 110.7 | L30 | S28-L30 PolarHBondContact O-N 2.82Š|
| 29 | G | 48.1 | Very low | 47.9 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -84.8 | 75.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | D27 | D27-G29 PolarHBondContact O-N 3.41Š|
| 30 | L | 53.6 | Low | 47.6 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 126 | 162.4 | -71.1 | 172.6 | 0 | 0 | 0 | 108.4 | S28 | S28-L30 PolarHBondContact O-N 2.82Š|
| 31 | P | 60.1 | Low | 47.3 | Very low | 109 Ų | 109 | 125 Ų | 125 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65 | 144.3 | 169.1 | 27.9 | -32.6 | 0 | 0 | 0 | 109.2 | S33 | P31-S33 PolarHBondContact O-N 2.95Š|
| 32 | P | 49.9 | Very low | 47 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 128.1 | 176.9 | 25.1 | -32.6 | 0 | 0 | 0 | 109.9 | | |
| 33 | S | 47.6 | Very low | 46.9 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 131 | 171.8 | 44.5 | 0 | 0 | 0 | 0 | 110.5 | P31 S35 | P31-S33 PolarHBondContact O-N 2.95Å; S33-S35 PolarHBondContact O-N 2.86Å |
| 34 | P | 48.8 | Very low | 46.1 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -70.1 | 115.8 | 177.3 | 27.7 | -31.2 | 0 | 0 | 0 | 109.6 | | |
| 35 | S | 43.9 | Very low | 45.6 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141.9 | 168.8 | -14.9 | 0 | 0 | 0 | 0 | 110 | S33 | S33-S35 PolarHBondContact O-N 2.86Š|
| 36 | P | 44.1 | Very low | 45.1 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65 | 144 | 175.5 | 27.2 | -32.1 | 0 | 0 | 0 | 110.3 | F38 | P36-F38 PolarHBondContact O-N 2.74Š|
| 37 | P | 56.3 | Low | 43.9 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65 | 121.4 | 178.3 | 25.7 | -31.5 | 0 | 0 | 0 | 109.8 | C39 | P37-C39 PolarHBondContact O-N 2.79Å; P37-C39 VanDerWaalsContact O-N 3.08Å |
| 38 | F | 39.2 | Very low | 43.2 | Very low | 191 Ų | 191 | 125.1 Ų | 125.1 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -61.4 | 105 | 167.9 | -68.6 | -88.8 | 0 | 0 | 0 | 109.2 | P36 S40 | P36-F38 PolarHBondContact O-N 2.74Å; F38-S40 PolarHBondContact O-N 2.82Å |
| 39 | C | 39.1 | Very low | 42.1 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | -88.2 | 85.1 | 158.2 | -73.8 | 0 | 0 | 0 | 0 | 108.4 | P37 L41 | P37-C39 PolarHBondContact O-N 2.79Å; P37-C39 VanDerWaalsContact O-N 3.08Å; C39-L41 PolarHBondContact O-N 3.49Å |
| 40 | S | 35.8 | Very low | 41.2 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -79.6 | 99 | 162.3 | 57.3 | 0 | 0 | 0 | 0 | 108.9 | F38 | F38-S40 PolarHBondContact O-N 2.82Š|
| 41 | L | 39.3 | Very low | 40.1 | Very low | 170 Ų | 170 | 130 Ų | 130 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | -104.1 | 86.5 | 160.2 | -70.3 | 175 | 0 | 0 | 0 | 107.5 | C39 | C39-L41 PolarHBondContact O-N 3.49Š|
| 42 | S | 34.7 | Very low | 38.6 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -79.7 | 129.7 | 165.2 | -57.7 | 0 | 0 | 0 | 0 | 108.6 | A44 | S42-A44 PolarHBondContact O-N 3.13Š|
| 43 | P | 39.8 | Very low | 37.5 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | -86.1 | 108.5 | 169 | 31.4 | -26.3 | 0 | 0 | 0 | 109.1 | | |
| 44 | A | 32.8 | Very low | 36.6 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -123.6 | 106.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | S42 | S42-A44 PolarHBondContact O-N 3.13Š|
| 45 | L | 34.4 | Very low | 36 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | | 91.2 | 104.8 | 92.3 | -163.3 | 110.6 | 0 | 0 | 0 | 110.7 | | |
| 46 | I | 38.3 | Very low | 35.8 | Very low | 148 Ų | 148 | 130 Ų | 130 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | | | trans | -11 | 127.6 | 153.9 | -64.6 | 158.5 | 0 | 0 | 0 | 114.7 | | |
| 47 | E | 32.3 | Very low | 35.2 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -137 | 134.1 | 143.4 | -164.7 | 161.9 | -165.3 | 0 | 0 | 111.5 | | |
| 48 | S | 33.7 | Very low | 33.9 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | | | trans | -88.9 | 147.3 | -171.8 | -40.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 49 | R | 31.7 | Very low | 33.4 | Very low | 234 Ų | 234 | 126.8 Ų | 126.8 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | 171.9 | 109.6 | 140.4 | -94.1 | 162.1 | -151.1 | -136.5 | 9.3 | 107.9 | | |
| 50 | S | 31.1 | Very low | 33 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | | 74 | 112.1 | 83 | -178.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 51 | G | 29.6 | Very low | 32.8 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | 141.2 | 116.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 52 | G | 28.3 | Very low | 32.3 | Very low | 84 Ų | 84 | 125.7 Ų | 125.7 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | 128.9 | 100.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 53 | C | 27 | Very low | 31.9 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | | | trans | -68.2 | 153.3 | 173.8 | -53.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 54 | A | 28.8 | Very low | 31.3 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | | 157 | 116.3 | 118.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 55 | T | 35.2 | Very low | 31.1 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -87.1 | 153.4 | 148.4 | 54.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 56 | P | 41.1 | Very low | 31 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | | -161.4 | 177.4 | 77.7 | 42.4 | -20.9 | 0 | 0 | 0 | 117.9 | | |
| 57 | V | 30 | Very low | 30.9 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | | | trans | 72.4 | 141.8 | 142.8 | 159 | 0 | 0 | 0 | 0 | 116.8 | | |
| 58 | D | 29.9 | Very low | 31 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | | | cis | -175.8 | 161 | -7.2 | -118 | -55.5 | 0 | 0 | 0 | 106.2 | | |
| 59 | S | 29.3 | Very low | 31.7 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | | | trans | 64.6 | 144.8 | 143.4 | -71.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 60 | N | 29.9 | Very low | 32 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 63% | 0.631 | 79% | 0.789 | S | S | * | * | | | cis | -178.5 | 163.3 | 4.4 | -123.7 | -3.3 | 0 | 0 | 0 | 109 | | |
| 61 | H | 31.8 | Very low | 32.8 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | 87.8 | 121.5 | 149.4 | -58.1 | -42.7 | 0 | 0 | 0 | 122.4 | | |
| 62 | G | 28.5 | Very low | 33.4 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | 145.3 | 54.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 63 | C | 26.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | | | | 60.4 | 111.3 | 109 | -88.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 64 | Y | 27.1 | Very low | 34.7 | Very low | 216 Ų | 216 | 144 Ų | 144 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | | | trans | 62.9 | 143.3 | 142.8 | -54.4 | -60.8 | 0 | 0 | 0 | 119.1 | | |
| 65 | R | 29.5 | Very low | 35.3 | Very low | 226 Ų | 226 | 144.5 Ų | 144.5 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | cis | -172.5 | 146 | -4.1 | 172.5 | -157.3 | -78 | -177.4 | -3.9 | 104.5 | | |
| 66 | K | 32.5 | Very low | 35.6 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | | | trans | 134.7 | 116.1 | 131.8 | -153.7 | 175.2 | -173.7 | -174.2 | 0 | 113.7 | | |
| 67 | E | 36.5 | Very low | 36 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -59.8 | 138.3 | 170.6 | -148.8 | 175.7 | -175.1 | 0 | 0 | 111.6 | | |
| 68 | S | 34.2 | Very low | 36.9 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -157.7 | 118 | 145.8 | -155.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 69 | R | 47.8 | Very low | 37.2 | Very low | 215 Ų | 215 | 152.8 Ų | 152.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -68 | 134.5 | 170.4 | -66.4 | 179.9 | -177.6 | -134.6 | 0.7 | 109 | | |
| 70 | E | 39 | Very low | 38.1 | Very low | 164 Ų | 164 | 156.5 Ų | 156.5 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -166.7 | 111.8 | 145.9 | -146.1 | 86.7 | -130 | 0 | 0 | 107.3 | K72 | E70-K72 PolarHBondContact O-N 2.92Š|
| 71 | G | 47.7 | Very low | 38.2 | Very low | 84 Ų | 84 | 155.3 Ų | 155.3 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | -66.6 | 120.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 72 | K | 41.9 | Very low | 39 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | | | trans | -115.2 | 107.6 | 174.4 | -65 | -176.3 | -177.1 | -177.7 | 0 | 108.8 | E70 L74 | E70-K72 PolarHBondContact O-N 2.92Å; K72-L74 PolarHBondContact O-N 2.98Å |
| 73 | L | 42.6 | Very low | 39.5 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | -55.5 | 125.2 | 166.1 | -81.4 | 159.1 | 0 | 0 | 0 | 108.8 | | |
| 74 | L | 38.7 | Very low | 40.6 | Very low | 126 Ų | 126 | 153.7 Ų | 153.7 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | | | trans | -70.9 | 133.3 | 174.7 | -71.8 | 171.6 | 0 | 0 | 0 | 109.8 | K72 Y76 | K72-L74 PolarHBondContact O-N 2.98Å; L74-Y76 HydrophobicContact CB-CE2 4.18Å; L74-Y76 PolarHBondContact O-N 2.98Å; L74-Y76 VanDerWaalsContact O-N 3.13Å |
| 75 | P | 42.4 | Very low | 41.5 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -75 | 100.3 | 172 | 29.5 | -29.3 | 0 | 0 | 0 | 108.7 | L77 | P75-L77 PolarHBondContact O-N 3.24Š|
| 76 | Y | 41.5 | Very low | 42.3 | Very low | 206 Ų | 206 | 143.4 Ų | 143.4 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | -77 | 63.9 | 168.2 | -70.6 | -83.3 | 0 | 0 | 0 | 110.4 | L74 | L74-Y76 HydrophobicContact CB-CE2 4.18Å; L74-Y76 PolarHBondContact O-N 2.98Å; L74-Y76 VanDerWaalsContact O-N 3.13Å |
| 77 | L | 49.4 | Very low | 43.1 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -100.3 | 100.5 | 149.8 | -75.9 | 176.5 | 0 | 0 | 0 | 106 | P75 | P75-L77 PolarHBondContact O-N 3.24Š|
| 78 | L | 47.8 | Very low | 43.8 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | 157 | 79.8 | 148.7 | -83.9 | 167.8 | 0 | 0 | 0 | 108.1 | | |
| 79 | L | 37.3 | Very low | 44.7 | Very low | 151 Ų | 151 | 145 Ų | 145 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -139.4 | 72.1 | 149.4 | -132.7 | 77.5 | 0 | 0 | 0 | 108.3 | C81 | L79-C81 HydrophobicContact CD2-CB 4.23Å; L79-C81 HydrophobicContact CG-CB 4.23Å; L79-C81 PolarHBondContact O-N 3.28Å |
| 80 | N | 47.4 | Very low | 44.4 | Very low | 170 Ų | 170 | 143 Ų | 143 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | trans | -64.3 | 81.2 | 144.3 | -120.2 | 0.5 | 0 | 0 | 0 | 105.6 | A82 | N80-A82 PolarHBondContact O-N 2.89Š|
| 81 | C | 33 | Very low | 44.8 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | | | trans | -81.4 | 95.4 | 167.5 | -116.1 | 0 | 0 | 0 | 0 | 106.4 | L79 G83 | L79-C81 HydrophobicContact CD2-CB 4.23Å; L79-C81 HydrophobicContact CG-CB 4.23Å; L79-C81 PolarHBondContact O-N 3.28Å; C81-G83 PolarHBondContact O-N 2.97Å |
| 82 | A | 48.8 | Very low | 44.5 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | -55.8 | 99.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | N80 | N80-A82 PolarHBondContact O-N 2.89Š|
| 83 | G | 38.4 | Very low | 44.9 | Very low | 62 Ų | 62 | 138.5 Ų | 138.5 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | | | trans | -158.8 | 106 | -178.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | C81 D85 | C81-G83 PolarHBondContact O-N 2.97Å; G83-D85 PolarHBondContact O-N 3.14Å; G83-D85 VanDerWaalsContact O-N 3.14Å |
| 84 | T | 50 | Low | 45.1 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 75% | 0.746 | S | S | * | * | | | trans | -49.3 | 109.2 | -174.2 | -39.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 85 | D | 45.4 | Very low | 45.4 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | | -149.2 | 102 | 126.9 | -165.7 | 17.1 | 0 | 0 | 0 | 107.5 | G83 K87 | G83-D85 PolarHBondContact O-N 3.14Å; G83-D85 VanDerWaalsContact O-N 3.14Å; D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 2.94Å |
| 86 | P | 46.1 | Very low | 45.5 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | | | trans | -62.9 | 102.7 | 166.8 | 27.7 | -29.1 | 0 | 0 | 0 | 105.7 | S88 | P86-S88 WeakPolarHBondContact O-CA 3.5Å; P86-S88 PolarHBondContact O-N 3.12Å |
| 87 | K | 49.7 | Very low | 45.7 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | | | trans | -22.5 | 109.5 | 158.3 | -96.5 | 179.3 | 173.4 | 172.3 | 0 | 106.6 | D85 R89 | D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 2.94Å; K87-R89 WeakPolarHBondContact O-CA 3.42Å; K87-R89 PolarHBondContact O-N 2.9Å |
| 88 | S | 50.1 | Low | 45.4 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | | | trans | -44.5 | 92.3 | -167.8 | -40.7 | 0 | 0 | 0 | 0 | 108.8 | P86 M90 | P86-S88 WeakPolarHBondContact O-CA 3.5Å; P86-S88 PolarHBondContact O-N 3.12Å; S88-M90 VanDerWaalsContact C-N 3.25Å; S88-M90 PolarHBondContact O-N 3.26Å |
| 89 | R | 52.7 | Low | 45.4 | Very low | 212 Ų | 212 | 126.5 Ų | 126.5 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | | | trans | -78.7 | 93.6 | -169.6 | -175 | 176.8 | 172.5 | 178.1 | -1.7 | 102.8 | K87 H91 | K87-R89 WeakPolarHBondContact O-CA 3.42Å; K87-R89 PolarHBondContact O-N 2.9Å; R89-H91 PolarHBondContact O-N 3.46Å |
| 90 | M | 42.9 | Very low | 46 | Very low | 173 Ų | 173 | 126.7 Ų | 126.7 | 85% | 0.852 | 70% | 0.702 | S | S | * | * | | | trans | -53.1 | 111.9 | -178 | -84.7 | -156.3 | -73 | 0 | 0 | 107.6 | S88 | S88-M90 VanDerWaalsContact C-N 3.25Å; S88-M90 PolarHBondContact O-N 3.26Å |
| 91 | H | 46.3 | Very low | 46.1 | Very low | 153 Ų | 153 | 120.8 Ų | 120.8 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | | | trans | -65.8 | 148.2 | 173.8 | -65.4 | -71.9 | 0 | 0 | 0 | 108.3 | R89 V93 | R89-H91 PolarHBondContact O-N 3.46Å; H91-V93 PolarHBondContact O-N 3.28Å |
| 92 | P | 41.2 | Very low | 47 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 58% | 0.584 | 68% | 0.675 | S | S | * | * | | | trans | -53.6 | 118.4 | 177.6 | 9.3 | -16.2 | 0 | 0 | 0 | 109.4 | F94 | P92-F94 HydrophobicContact CB-CE2 4.17Å; P92-F94 HydrophobicContact CB-CZ 4.34Å; P92-F94 HydrophobicContact CG-CE2 4.25Å; P92-F94 HydrophobicContact CG-CZ 4.45Å; P92-F94 WeakPolarHBondContact O-CD2 3.43Å; P92-F94 PolarHBondContact O-N 2.94Å |
| 93 | V | 50.3 | Low | 47.3 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | | | trans | -85.9 | 105.5 | 177.5 | -171 | 0 | 0 | 0 | 0 | 107 | H91 Y95 | H91-V93 PolarHBondContact O-N 3.28Å; V93-Y95 HydrophobicContact CB-CD2 4.37Å; V93-Y95 HydrophobicContact CB-CE2 3.65Å; V93-Y95 HydrophobicContact CG1-CD1 4.44Å; V93-Y95 HydrophobicContact CG1-CD2 4.09Å; V93-Y95 HydrophobicContact CG1-CE1 3.82Å; V93-Y95 HydrophobicContact CG1-CE2 3.42Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.42Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.1Å; V93-Y95 VanDerWaalsContact O-CD2 3.31Å; V93-Y95 WeakPolarHBondContact O-CD2 3.44Å; V93-Y95 PolarHBondContact O-N 2.83Å |
| 94 | F | 46.8 | Very low | 47.8 | Very low | 148 Ų | 148 | 126 Ų | 126 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | | | trans | -76.2 | 117.3 | 175.1 | -64.2 | -88 | 0 | 0 | 0 | 108.8 | P92 | P92-F94 HydrophobicContact CB-CE2 4.17Å; P92-F94 HydrophobicContact CB-CZ 4.34Å; P92-F94 HydrophobicContact CG-CE2 4.25Å; P92-F94 HydrophobicContact CG-CZ 4.45Å; P92-F94 WeakPolarHBondContact O-CD2 3.43Å; P92-F94 PolarHBondContact O-N 2.94Å |
| 95 | Y | 46.3 | Very low | 47.9 | Very low | 176 Ų | 176 | 124.4 Ų | 124.4 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | | | trans | -107 | 115.6 | 170.8 | -61.5 | -83.6 | 0 | 0 | 0 | 108.5 | V93 | V93-Y95 HydrophobicContact CB-CD2 4.37Å; V93-Y95 HydrophobicContact CB-CE2 3.65Å; V93-Y95 HydrophobicContact CG1-CD1 4.44Å; V93-Y95 HydrophobicContact CG1-CD2 4.09Å; V93-Y95 HydrophobicContact CG1-CE1 3.82Å; V93-Y95 HydrophobicContact CG1-CE2 3.42Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.42Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.1Å; V93-Y95 VanDerWaalsContact O-CD2 3.31Å; V93-Y95 WeakPolarHBondContact O-CD2 3.44Å; V93-Y95 PolarHBondContact O-N 2.83Å |
| 96 | G | 45.1 | Very low | 48.2 | Very low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 97 | E | 44.4 | Very low | 48.4 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 55% | 0.547 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.6 | 168.4 | -176.3 | 178.9 | -158.7 | 0 | 0 | 107.4 | S113 | E97-S113 PolarHBondContact OE2-OG 3.43Å |
| 98 | S | 42.8 | Very low | 48.3 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.5 | 174.9 | 56.7 | 0 | 0 | 0 | 0 | 110 | | |
| 99 | I | 49.3 | Very low | 48.3 | Very low | 75 Ų | 75 | 127 Ų | 127 | 39% | 0.385 | 64% | 0.64 | S | S | . | * | | | trans | -111.9 | 110.6 | 177.2 | -55.5 | 177.1 | 0 | 0 | 0 | 107.8 | V101 C111 | I99-V101 HydrophobicContact CG2-CG2 3.65Å; I99-C111 HydrophobicContact CD1-CB 4.12Å |
| 100 | E | 48.2 | Very low | 47.9 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 73% | 0.729 | 63% | 0.631 | S | S | * | * | | | trans | -89.2 | 103.7 | 173 | -172.6 | 178.2 | -176.6 | 0 | 0 | 109.2 | R195 | E100-R195 VanDerWaalsContact CD-NH2 3.33Å; E100-R195 IonicContact OE1-CZ 3.68Å; E100-R195 IonicContact OE1-NH2 2.57Å; E100-R195 PolarHBondContact OE1-NH2 3.46Å |
| 101 | V | 51.4 | Low | 47.8 | Very low | 45 Ų | 45 | 117.3 Ų | 117.3 | 27% | 0.273 | 60% | 0.604 | S | S | . | * | | | trans | -97.2 | 115 | -179 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | I99 T103 I109 | I99-V101 HydrophobicContact CG2-CG2 3.65Å; V101-T103 HydrophobicContact CG1-CG2 3.73Å; V101-I109 HydrophobicContact CG1-CD1 3.31Å |
| 102 | N | 51.6 | Low | 47.3 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 71% | 0.711 | 59% | 0.594 | S | S | * | * | | | trans | -94 | 96.5 | 173.7 | -162.6 | -23.1 | 0 | 0 | 0 | 109.4 | K104 | N102-K104 PolarHBondContact O-N 2.83Š|
| 103 | T | 54.7 | Low | 47.2 | Very low | 52 Ų | 52 | 111.6 Ų | 111.6 | 32% | 0.319 | 58% | 0.58 | S | S | . | * | | | trans | -85.5 | 101.5 | -175.5 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | V101 I109 Y189 | V101-T103 HydrophobicContact CG1-CG2 3.73Å; T103-I109 HydrophobicContact CG2-CD1 4.24Å; T103-Y189 HydrophobicContact CG2-CE1 4Å |
| 104 | K | 49.2 | Very low | 46.7 | Very low | 189 Ų | 189 | 110.2 Ų | 110.2 | 82% | 0.822 | 58% | 0.579 | S | S | * | * | | | trans | -85.4 | 133.8 | 148.3 | -64.5 | -177.4 | -178.3 | 178.9 | 0 | 106.7 | N102 | N102-K104 PolarHBondContact O-N 2.83Š|
| 105 | P | 52.5 | Low | 46.5 | Very low | 110 Ų | 110 | 107.3 Ų | 107.3 | 71% | 0.714 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -77.1 | 165.1 | -152.1 | 30.6 | -34.2 | 0 | 0 | 0 | 114.3 | | |
| 106 | E | 51.4 | Low | 46.7 | Very low | 186 Ų | 186 | 106.4 Ų | 106.4 | 87% | 0.869 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 93.2 | 17.9 | 174.9 | -62.4 | -156.1 | 155.7 | 0 | 0 | 120.6 | | |
| 107 | Q | 49.3 | Very low | 46.8 | Very low | 169 Ų | 169 | 110.2 Ų | 110.2 | 79% | 0.79 | 57% | 0.568 | S | S | * | * | | | trans | -126.6 | 130.1 | 164.6 | -78.4 | 177.5 | 24.6 | 0 | 0 | 112.7 | I109 | Q107-I109 PolarHBondContact O-N 3.46Š|
| 108 | E | 48.5 | Very low | 47.3 | Very low | 161 Ų | 161 | 109.2 Ų | 109.2 | 75% | 0.752 | 57% | 0.566 | S | S | * | * | | | trans | -63.8 | 112.2 | 166.4 | -176.5 | -177.1 | -178.8 | 0 | 0 | 108.2 | K110 | E108-K110 PolarHBondContact O-N 3.34Š|
| 109 | I | 48.6 | Very low | 47.5 | Very low | 63 Ų | 63 | 107.6 Ų | 107.6 | 32% | 0.323 | 56% | 0.555 | S | S | . | * | | | trans | -93.6 | 104.6 | 179.9 | -61.8 | 173.1 | 0 | 0 | 0 | 108.1 | V101 T103 Q107 | V101-I109 HydrophobicContact CG1-CD1 3.31Å; T103-I109 HydrophobicContact CG2-CD1 4.24Å; Q107-I109 PolarHBondContact O-N 3.46Å |
| 110 | K | 44.3 | Very low | 47.7 | Very low | 140 Ų | 140 | 107.2 Ų | 107.2 | 61% | 0.609 | 55% | 0.554 | S | S | * | * | | | trans | -96.4 | 96.4 | 174.2 | -175 | 178.7 | -179.9 | 176.5 | 0 | 110.3 | E108 | E108-K110 PolarHBondContact O-N 3.34Š|
| 111 | C | 40.9 | Very low | 47.8 | Very low | 42 Ų | 42 | 105.2 Ų | 105.2 | 28% | 0.284 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.7 | 172.1 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | I99 | I99-C111 HydrophobicContact CD1-CB 4.12Å |
| 112 | T | 36.7 | Very low | 47.8 | Very low | 82 Ų | 82 | 110.9 Ų | 110.9 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 107.2 | 173.2 | -53.9 | 0 | 0 | 0 | 0 | 108.7 | R184 | T112-R184 HydrophobicContact CG2-CG 4.41Å |
| 113 | S | 38.3 | Very low | 47.7 | Very low | 42 Ų | 42 | 112.9 Ų | 112.9 | 29% | 0.294 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 133.9 | 169.6 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | E97 | E97-S113 PolarHBondContact OE2-OG 3.43Å |
| 114 | A | 40.6 | Very low | 47.3 | Very low | 62 Ų | 62 | 117.8 Ų | 117.8 | 51% | 0.512 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.7 | 112.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 115 | V | 41.8 | Very low | 47.4 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.7 | 177.1 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 116 | K | 51.7 | Low | 47.5 | Very low | 157 Ų | 157 | 116.5 Ų | 116.5 | 68% | 0.683 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 111.5 | 173.3 | -69.7 | 178.2 | -175.3 | 169.1 | 0 | 108.4 | | |
| 117 | Y | 46.7 | Very low | 47.7 | Very low | 144 Ų | 144 | 111.2 Ų | 111.2 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | | | trans | -96.2 | 122.6 | 173.5 | -172.3 | -107.6 | 0 | 0 | 0 | 109.1 | | |
| 118 | D | 54.3 | Low | 48.4 | Very low | 95 Ų | 95 | 106.9 Ų | 106.9 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | | | trans | -123.1 | 86.2 | 179.2 | -168 | -7.2 | 0 | 0 | 0 | 108.3 | D120 K121 | D118-D120 PolarHBondContact O-N 2.93Å; D118-D120 PolarHBondContact OD1-N 3.36Å; D118-K121 WeakPolarHBondContact OD2-CE 3.28Å; D118-K121 IonicContact OD2-NZ 3.88Å |
| 119 | S | 47.1 | Very low | 49.2 | Very low | 71 Ų | 71 | 102 Ų | 102 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11.3 | 179.6 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | K121 | S119-K121 VanDerWaalsContact C-N 3.35Å; S119-K121 PolarHBondContact O-N 3.17Å |
| 120 | D | 53.4 | Low | 50.5 | Low | 66 Ų | 66 | 100.5 Ų | 100.5 | 35% | 0.353 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 5 | -163.1 | -61.8 | -4.6 | 0 | 0 | 0 | 112 | D118 H122 | D118-D120 PolarHBondContact O-N 2.93Å; D118-D120 PolarHBondContact OD1-N 3.36Å; D120-H122 PolarHBondContact O-N 3.22Å |
| 121 | K | 50.4 | Low | 52 | Low | 115 Ų | 115 | 98.5 Ų | 98.5 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | | | trans | -82.3 | 96.9 | 176.2 | -68.1 | -173.2 | -177.4 | 175.7 | 0 | 111.4 | D118 S119 Y123 | D118-K121 WeakPolarHBondContact OD2-CE 3.28Å; D118-K121 IonicContact OD2-NZ 3.88Å; S119-K121 VanDerWaalsContact C-N 3.35Å; S119-K121 PolarHBondContact O-N 3.17Å; K121-Y123 HydrophobicContact CB-CE2 4.19Å |
| 122 | H | 52.1 | Low | 53.9 | Low | 164 Ų | 164 | 98.6 Ų | 98.6 | 76% | 0.759 | 51% | 0.508 | S | S | * | . | | | trans | -83.9 | 115.3 | 163.9 | -68.5 | 84.2 | 0 | 0 | 0 | 110 | D120 R124 | D120-H122 PolarHBondContact O-N 3.22Å; H122-R124 PolarHBondContact O-N 3.43Å |
| 123 | Y | 49.3 | Very low | 55.9 | Low | 174 Ų | 174 | 98.8 Ų | 98.8 | 68% | 0.682 | 51% | 0.51 | S | S | * | . | | | trans | -81.3 | 112.8 | 170.6 | -64.8 | -90.5 | 0 | 0 | 0 | 108.7 | K121 D125 | K121-Y123 HydrophobicContact CB-CE2 4.19Å; Y123-D125 PolarHBondContact O-N 3.16Å |
| 124 | R | 47 | Very low | 57.9 | Low | 155 Ų | 155 | 100.3 Ų | 100.3 | 59% | 0.585 | 51% | 0.514 | S | S | * | . | | | trans | -85.9 | 102.7 | 164.7 | -104.7 | -178.3 | 166.3 | 172 | -1.6 | 108.1 | H122 R126 | H122-R124 PolarHBondContact O-N 3.43Å; R124-R126 PolarHBondContact O-N 3.11Å |
| 125 | D | 50 | Low | 60 | Low | 120 Ų | 120 | 101.5 Ų | 101.5 | 64% | 0.642 | 52% | 0.516 | S | S | * | . | | | trans | -77.7 | 98.4 | 172.5 | -164.7 | 17.6 | 0 | 0 | 0 | 109.2 | Y123 V127 | Y123-D125 PolarHBondContact O-N 3.16Å; D125-V127 WeakPolarHBondContact OD1-CG2 3.41Å |
| 126 | R | 54.2 | Low | 62 | Low | 152 Ų | 152 | 99.7 Ų | 99.7 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | | | trans | -113.4 | 88.2 | 169 | -80.6 | -170.1 | 175.4 | -169.4 | -2 | 108.4 | R124 | R124-R126 PolarHBondContact O-N 3.11Š|
| 127 | V | 57.6 | Low | 63.6 | Low | 75 Ų | 75 | 95 Ų | 95 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 109.5 | 167.2 | -174 | 0 | 0 | 0 | 0 | 108.1 | D125 C129 P165 | D125-V127 WeakPolarHBondContact OD1-CG2 3.41Å; V127-C129 PolarHBondContact O-N 3.14Å; V127-P165 HydrophobicContact CG1-CB 3.69Å |
| 128 | V | 62.3 | Low | 65.6 | Low | 79 Ų | 79 | 94.2 Ų | 94.2 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 109.7 | 171.4 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | V166 S167 | V128-V166 PolarHBondContact O-N 3.08Å; V128-S167 PolarHBondContact N-O 3.39Å |
| 129 | C | 66.4 | Low | 67.3 | Low | 59 Ų | 59 | 91.8 Ų | 91.8 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.4 | 172.2 | -67.1 | 0 | 0 | 0 | 0 | 109.9 | V127 Q163 K164 | V127-C129 PolarHBondContact O-N 3.14Å; C129-Q163 HydrophobicContact CB-CB 4.34Å; C129-K164 WeakPolarHBondContact CA-O 3.31Å |
| 130 | A | 74.8 | Confident | 69.4 | Low | 31 Ų | 31 | 93.4 Ų | 93.4 | 26% | 0.256 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V132 K164 V166 | A130-V132 PolarHBondContact O-N 3.48Å; A130-K164 PolarHBondContact N-O 2.95Å; A130-K164 PolarHBondContact O-N 3.48Å; A130-V166 HydrophobicContact CB-CG2 3.41Å; A130-V166 VanDerWaalsContact CB-CG2 3.41Å |
| 131 | P | 76.3 | Confident | 71.2 | Confident | 97 Ų | 97 | 93.1 Ų | 93.1 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 115 | 170.2 | 27.2 | -31 | 0 | 0 | 0 | 109.3 | P161 | P131-P161 HydrophobicContact CB-CB 3.99Å |
| 132 | V | 80.4 | Confident | 73.1 | Confident | 44 Ų | 44 | 90.9 Ų | 90.9 | 27% | 0.267 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.9 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | A130 M134 R162 K164 | A130-V132 PolarHBondContact O-N 3.48Å; V132-M134 HydrophobicContact CG1-SD 4.31Å; V132-M134 PolarHBondContact O-N 2.84Å; V132-M134 VanDerWaalsContact O-N 3.14Å; V132-R162 PolarHBondContact N-O 2.89Å; V132-R162 PolarHBondContact O-N 2.84Å; V132-K164 HydrophobicContact CB-CB 4.27Å; V132-K164 HydrophobicContact CG2-CB 3.87Å; V132-K164 HydrophobicContact CG2-CD 4.41Å |
| 133 | P | 79.4 | Confident | 74.9 | Confident | 86 Ų | 86 | 86.8 Ų | 86.8 | 56% | 0.558 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 115.8 | 174.3 | -16.3 | 28.9 | 0 | 0 | 0 | 109.3 | L159 | P133-L159 HydrophobicContact CB-CB 4.2Å; P133-L159 HydrophobicContact CB-CD1 4.14Å |
| 134 | M | 80.2 | Confident | 76.8 | Confident | 74 Ų | 74 | 82.8 Ų | 82.8 | 37% | 0.365 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136 | 179.8 | -70.8 | -63.3 | -61.8 | 0 | 0 | 109.6 | V132 T136 L159 E160 R162 | V132-M134 HydrophobicContact CG1-SD 4.31Å; V132-M134 PolarHBondContact O-N 2.84Å; V132-M134 VanDerWaalsContact O-N 3.14Å; M134-T136 PolarHBondContact O-N 3.18Å; M134-L159 CarbonylContact O-C 3.59Å; M134-L159 WeakPolarHBondContact O-CA 3.08Å; M134-E160 PolarHBondContact N-O 3.15Å; M134-E160 PolarHBondContact O-N 3.44Å; M134-R162 HydrophobicContact CB-CB 4.27Å; M134-R162 HydrophobicContact CB-CG 4.31Å; M134-R162 HydrophobicContact CG-CB 4.13Å |
| 135 | P | 83.9 | Confident | 78.7 | Confident | 87 Ų | 87 | 79.5 Ų | 79.5 | 57% | 0.565 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 123.9 | 176.5 | 25.2 | -31 | 0 | 0 | 0 | 110.3 | V157 Y158 L159 | P135-V157 HydrophobicContact CB-CG1 3.88Å; P135-Y158 WeakPolarHBondContact CA-O 3.32Å; P135-L159 VanDerWaalsContact CA-CD2 3.49Å; P135-L159 HydrophobicContact CB-CD2 3.75Å; P135-L159 HydrophobicContact CG-CD2 4.44Å |
| 136 | T | 84.6 | Confident | 80.3 | Confident | 48 Ų | 48 | 82.2 Ų | 82.2 | 29% | 0.294 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -30.7 | -178.7 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | M134 Y158 E160 | M134-T136 PolarHBondContact O-N 3.18Å; T136-Y158 PolarHBondContact N-O 3.48Å; T136-Y158 PolarHBondContact OG1-O 3.47Å; T136-E160 HydrophobicContact CG2-CB 3.72Å; T136-E160 HydrophobicContact CG2-CG 3.99Å; T136-E160 WeakPolarHBondContact CG2-OE2 3.35Å; T136-E160 WeakPolarHBondContact OG1-CG 3.39Å |
| 137 | S | 84.6 | Confident | 81.7 | Confident | 59 Ų | 59 | 83.2 Ų | 83.2 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 158.4 | 173.5 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | Y158 | S137-Y158 PolarHBondContact N-O 3.42Å; S137-Y158 PolarHBondContact O-N 3.19Å; S137-Y158 VanDerWaalsContact OG-CB 3.28Å; S137-Y158 WeakPolarHBondContact OG-CB 3.32Å; S137-Y158 WeakPolarHBondContact OG-CD2 3.44Å |
| 138 | F | 89.8 | Confident | 82.7 | Confident | 128 Ų | 128 | 82.2 Ų | 82.2 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.2 | -177.5 | 173.9 | -88.1 | 0 | 0 | 0 | 108.1 | E140 T155 Q156 V157 | F138-E140 HydrophobicContact CE1-CB 3.77Å; F138-E140 HydrophobicContact CZ-CB 4.17Å; F138-T155 HydrophobicContact CD2-CG2 3.94Å; F138-T155 HydrophobicContact CE1-CG2 4.44Å; F138-T155 HydrophobicContact CE2-CG2 3.05Å; F138-T155 HydrophobicContact CZ-CG2 3.36Å; F138-Q156 CarbonylContact C-O 3.57Å; F138-Q156 WeakPolarHBondContact CA-O 3.38Å; F138-V157 HydrophobicContact CD2-CG2 4.04Å |
| 139 | S | 88.9 | Confident | 83.7 | Confident | 43 Ų | 43 | 84.6 Ų | 84.6 | 30% | 0.301 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.1 | 174.2 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | T155 Q156 | S139-T155 CarbonylContact O-C 3.59Å; S139-T155 WeakPolarHBondContact O-CA 3.46Å; S139-Q156 PolarHBondContact N-O 2.84Å; S139-Q156 PolarHBondContact O-N 2.62Å |
| 140 | E | 92.5 | Very high | 84.4 | Confident | 105 Ų | 105 | 91.4 Ų | 91.4 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.2 | 174 | -172.7 | 174.4 | -174.1 | 0 | 0 | 108.7 | F138 K154 | F138-E140 HydrophobicContact CE1-CB 3.77Å; F138-E140 HydrophobicContact CZ-CB 4.17Å; E140-K154 CarbonylContact C-O 3.6Å; E140-K154 WeakPolarHBondContact CA-O 3.45Å |
| 141 | T | 91.4 | Very high | 84.9 | Confident | 61 Ų | 61 | 97.5 Ų | 97.5 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.4 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 108.7 | V143 K154 | T141-V143 HydrophobicContact CG2-CG2 4.29Å; T141-K154 PolarHBondContact N-O 2.98Å; T141-K154 PolarHBondContact O-N 3.42Å |
| 142 | V | 90.5 | Very high | 85.4 | Confident | 68 Ų | 68 | 96.3 Ų | 96.3 | 41% | 0.412 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 114.4 | 174.5 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | V144 R151 S152 Y153 | V142-V144 HydrophobicContact CG1-CG2 4.19Å; V142-R151 HydrophobicContact CG1-CB 4.38Å; V142-S152 CarbonylContact C-O 3.56Å; V142-S152 WeakPolarHBondContact CA-O 3.49Å; V142-Y153 HydrophobicContact CB-CD1 4.46Å; V142-Y153 HydrophobicContact CB-CE1 4.49Å; V142-Y153 HydrophobicContact CG1-CD1 4.14Å; V142-Y153 HydrophobicContact CG1-CE1 3.86Å; V142-Y153 HydrophobicContact CG2-CD1 3.64Å; V142-Y153 HydrophobicContact CG2-CE1 3.77Å |
| 143 | V | 89.6 | Confident | 85.8 | Confident | 77 Ų | 77 | 100.7 Ų | 100.7 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.3 | 175.1 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | T141 S152 | T141-V143 HydrophobicContact CG2-CG2 4.29Å; V143-S152 PolarHBondContact N-O 2.97Å; V143-S152 PolarHBondContact O-N 2.89Å |
| 144 | V | 88.6 | Confident | 86.3 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125 | 176.5 | -173 | 0 | 0 | 0 | 0 | 108.3 | V142 R151 | V142-V144 HydrophobicContact CG1-CG2 4.19Å; V144-R151 HydrophobicContact CG2-CG 4.3Å |
| 145 | V | 86.3 | Confident | 86.9 | Confident | 87 Ų | 87 | 102.2 Ų | 102.2 | 53% | 0.527 | 54% | 0.535 | S | S | . | . | | | trans | -89.8 | 130.4 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | C148 | V145-C148 HydrophobicContact CB-CB 3.86Å; V145-C148 HydrophobicContact CG1-CB 3.98Å; V145-C148 WeakPolarHBondContact O-CB 3.32Å; V145-C148 PolarHBondContact O-N 3.48Å; V145-C148 VanDerWaalsContact O-N 3.16Å |
| 146 | Q | 84.7 | Confident | 87.3 | Confident | 177 Ų | 177 | 101.3 Ų | 101.3 | 83% | 0.827 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 136.8 | -176.9 | -158.9 | 168.2 | 8.9 | 0 | 0 | 110.7 | C148 | Q146-C148 PolarHBondContact O-N 3.25Š|
| 147 | N | 83.5 | Confident | 87.7 | Confident | 172 Ų | 172 | 102.9 Ų | 102.9 | 92% | 0.92 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 21.3 | -174.3 | -53.4 | -33.3 | 0 | 0 | 0 | 114.9 | | |
| 148 | C | 78 | Confident | 87.9 | Confident | 54 Ų | 54 | 105.4 Ų | 105.4 | 37% | 0.365 | 53% | 0.534 | S | S | . | . | | | trans | -124.3 | 141.3 | 175.2 | -168.3 | 0 | 0 | 0 | 0 | 109.8 | V145 Q146 W150 | V145-C148 HydrophobicContact CB-CB 3.86Å; V145-C148 HydrophobicContact CG1-CB 3.98Å; V145-C148 WeakPolarHBondContact O-CB 3.32Å; V145-C148 PolarHBondContact O-N 3.48Å; V145-C148 VanDerWaalsContact O-N 3.16Å; Q146-C148 PolarHBondContact O-N 3.25Å; C148-W150 VanDerWaalsContact C-N 3.27Å |
| 149 | T | 84.3 | Confident | 87.9 | Confident | 129 Ų | 129 | 104.2 Ų | 104.2 | 79% | 0.791 | 53% | 0.532 | S | S | * | . | | | trans | -81.9 | -9.4 | 176.8 | 51 | 0 | 0 | 0 | 0 | 113 | | |
| 150 | W | 79.9 | Confident | 87.8 | Confident | 202 Ų | 202 | 107 Ų | 107 | 77% | 0.765 | 54% | 0.541 | S | S | * | . | | | trans | -77.7 | 133.7 | -179 | -67.4 | 66.8 | 0 | 0 | 0 | 110.7 | C148 | C148-W150 VanDerWaalsContact C-N 3.27Š|
| 151 | R | 86.7 | Confident | 87.1 | Confident | 160 Ų | 160 | 107 Ų | 107 | 60% | 0.604 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132 | 174.1 | -62 | -176.5 | 179.7 | 119 | -0.6 | 108.5 | V142 V144 Y153 | V142-R151 HydrophobicContact CG1-CB 4.38Å; V144-R151 HydrophobicContact CG2-CG 4.3Å; R151-Y153 HydrophobicContact CB-CD2 4.4Å; R151-Y153 HydrophobicContact CB-CE2 3.61Å; R151-Y153 WeakPolarHBondContact CD-OH 3.43Å |
| 152 | S | 85.8 | Confident | 86.4 | Confident | 71 Ų | 71 | 110.9 Ų | 110.9 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.6 | 173.7 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | V142 V143 | V142-S152 CarbonylContact C-O 3.56Å; V142-S152 WeakPolarHBondContact CA-O 3.49Å; V143-S152 PolarHBondContact N-O 2.97Å; V143-S152 PolarHBondContact O-N 2.89Å |
| 153 | Y | 89.4 | Confident | 85.5 | Confident | 137 Ų | 137 | 115.3 Ų | 115.3 | 54% | 0.537 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.5 | 177.8 | -61.1 | -98 | 0 | 0 | 0 | 108.5 | V142 R151 | V142-Y153 HydrophobicContact CB-CD1 4.46Å; V142-Y153 HydrophobicContact CB-CE1 4.49Å; V142-Y153 HydrophobicContact CG1-CD1 4.14Å; V142-Y153 HydrophobicContact CG1-CE1 3.86Å; V142-Y153 HydrophobicContact CG2-CD1 3.64Å; V142-Y153 HydrophobicContact CG2-CE1 3.77Å; R151-Y153 HydrophobicContact CB-CD2 4.4Å; R151-Y153 HydrophobicContact CB-CE2 3.61Å; R151-Y153 WeakPolarHBondContact CD-OH 3.43Å |
| 154 | K | 90.2 | Very high | 84.6 | Confident | 115 Ų | 115 | 117.2 Ų | 117.2 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 115.2 | 175.5 | -176.9 | -179.7 | 179 | -176.5 | 0 | 108.9 | E140 T141 Q156 | E140-K154 CarbonylContact C-O 3.6Å; E140-K154 WeakPolarHBondContact CA-O 3.45Å; T141-K154 PolarHBondContact N-O 2.98Å; T141-K154 PolarHBondContact O-N 3.42Å; K154-Q156 HydrophobicContact CG-CG 4.44Å |
| 155 | T | 92 | Very high | 83.4 | Confident | 77 Ų | 77 | 117 Ų | 117 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.3 | 176.6 | -54.5 | 0 | 0 | 0 | 0 | 110 | F138 S139 | F138-T155 HydrophobicContact CD2-CG2 3.94Å; F138-T155 HydrophobicContact CE1-CG2 4.44Å; F138-T155 HydrophobicContact CE2-CG2 3.05Å; F138-T155 HydrophobicContact CZ-CG2 3.36Å; S139-T155 CarbonylContact O-C 3.59Å; S139-T155 WeakPolarHBondContact O-CA 3.46Å |
| 156 | Q | 92.9 | Very high | 82.2 | Confident | 67 Ų | 67 | 117.3 Ų | 117.3 | 31% | 0.313 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.7 | 178.2 | -61.6 | -176.4 | -60 | 0 | 0 | 109 | F138 S139 K154 Y158 | F138-Q156 CarbonylContact C-O 3.57Å; F138-Q156 WeakPolarHBondContact CA-O 3.38Å; S139-Q156 PolarHBondContact N-O 2.84Å; S139-Q156 PolarHBondContact O-N 2.62Å; K154-Q156 HydrophobicContact CG-CG 4.44Å; Q156-Y158 HydrophobicContact CB-CE2 4.24Å; Q156-Y158 PolarHBondContact OE1-OH 2.88Å |
| 157 | V | 92.6 | Very high | 80.8 | Confident | 82 Ų | 82 | 111.7 Ų | 111.7 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.7 | 175 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | P135 F138 L159 | P135-V157 HydrophobicContact CB-CG1 3.88Å; F138-V157 HydrophobicContact CD2-CG2 4.04Å; V157-L159 HydrophobicContact CG1-CD2 3.89Å |
| 158 | Y | 89.1 | Confident | 79.4 | Confident | 112 Ų | 112 | 110.8 Ų | 110.8 | 44% | 0.439 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 123.9 | 176.2 | -59.2 | -91.8 | 0 | 0 | 0 | 108.4 | P135 T136 S137 Q156 | P135-Y158 WeakPolarHBondContact CA-O 3.32Å; T136-Y158 PolarHBondContact N-O 3.48Å; T136-Y158 PolarHBondContact OG1-O 3.47Å; S137-Y158 PolarHBondContact N-O 3.42Å; S137-Y158 PolarHBondContact O-N 3.19Å; S137-Y158 VanDerWaalsContact OG-CB 3.28Å; S137-Y158 WeakPolarHBondContact OG-CB 3.32Å; S137-Y158 WeakPolarHBondContact OG-CD2 3.44Å; Q156-Y158 HydrophobicContact CB-CE2 4.24Å; Q156-Y158 PolarHBondContact OE1-OH 2.88Å |
| 159 | L | 89.1 | Confident | 77.9 | Confident | 102 Ų | 102 | 113.8 Ų | 113.8 | 53% | 0.534 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.8 | 178 | -53.8 | 179.9 | 0 | 0 | 0 | 108.5 | P133 M134 P135 V157 | P133-L159 HydrophobicContact CB-CB 4.2Å; P133-L159 HydrophobicContact CB-CD1 4.14Å; M134-L159 CarbonylContact O-C 3.59Å; M134-L159 WeakPolarHBondContact O-CA 3.08Å; P135-L159 VanDerWaalsContact CA-CD2 3.49Å; P135-L159 HydrophobicContact CB-CD2 3.75Å; P135-L159 HydrophobicContact CG-CD2 4.44Å; V157-L159 HydrophobicContact CG1-CD2 3.89Å |
| 160 | E | 86.2 | Confident | 76.1 | Confident | 102 Ų | 102 | 111.1 Ų | 111.1 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 145 | 170.6 | -70.1 | 177.9 | 169.5 | 0 | 0 | 110.6 | M134 T136 R162 | M134-E160 PolarHBondContact N-O 3.15Å; M134-E160 PolarHBondContact O-N 3.44Å; T136-E160 HydrophobicContact CG2-CB 3.72Å; T136-E160 HydrophobicContact CG2-CG 3.99Å; T136-E160 WeakPolarHBondContact CG2-OE2 3.35Å; T136-E160 WeakPolarHBondContact OG1-CG 3.39Å; E160-R162 PolarHBondContact O-N 3.39Å; E160-R162 VanDerWaalsContact O-N 3.12Å |
| 161 | P | 78.5 | Confident | 74.7 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 109.9 | 172.7 | -8.3 | 23.2 | 0 | 0 | 0 | 109.2 | P131 | P131-P161 HydrophobicContact CB-CB 3.99Å |
| 162 | R | 76.1 | Confident | 72.9 | Confident | 144 Ų | 144 | 101.8 Ų | 101.8 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.5 | 174 | -68.1 | -166.7 | 170.5 | -146.6 | -2.6 | 110.1 | V132 M134 E160 K164 | V132-R162 PolarHBondContact N-O 2.89Å; V132-R162 PolarHBondContact O-N 2.84Å; M134-R162 HydrophobicContact CB-CB 4.27Å; M134-R162 HydrophobicContact CB-CG 4.31Å; M134-R162 HydrophobicContact CG-CB 4.13Å; E160-R162 PolarHBondContact O-N 3.39Å; E160-R162 VanDerWaalsContact O-N 3.12Å; R162-K164 PolarHBondContact O-N 3.12Å |
| 163 | Q | 72.9 | Confident | 71.2 | Confident | 161 Ų | 161 | 102.6 Ų | 102.6 | 75% | 0.752 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 121.9 | 177.2 | -70.3 | -163.4 | -25.4 | 0 | 0 | 109.8 | C129 | C129-Q163 HydrophobicContact CB-CB 4.34Å |
| 164 | K | 69.2 | Low | 69.2 | Low | 116 Ų | 116 | 103.1 Ų | 103.1 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.9 | 174.5 | -168.5 | 177.3 | 179.8 | 178.8 | 0 | 109.2 | C129 A130 V132 R162 V166 | C129-K164 WeakPolarHBondContact CA-O 3.31Å; A130-K164 PolarHBondContact N-O 2.95Å; A130-K164 PolarHBondContact O-N 3.48Å; V132-K164 HydrophobicContact CB-CB 4.27Å; V132-K164 HydrophobicContact CG2-CB 3.87Å; V132-K164 HydrophobicContact CG2-CD 4.41Å; R162-K164 PolarHBondContact O-N 3.12Å; K164-V166 WeakPolarHBondContact O-CG2 3.45Å; K164-V166 PolarHBondContact O-N 3.02Å |
| 165 | P | 65 | Low | 66.8 | Low | 86 Ų | 86 | 106.7 Ų | 106.7 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 124.3 | 173.1 | 25.4 | -31.6 | 0 | 0 | 0 | 109.8 | V127 | V127-P165 HydrophobicContact CG1-CB 3.69Å |
| 166 | V | 59.8 | Low | 64.9 | Low | 93 Ų | 93 | 108.4 Ų | 108.4 | 56% | 0.564 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.7 | -33.5 | -174.2 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | V128 A130 K164 | V128-V166 PolarHBondContact O-N 3.08Å; A130-V166 HydrophobicContact CB-CG2 3.41Å; A130-V166 VanDerWaalsContact CB-CG2 3.41Å; K164-V166 WeakPolarHBondContact O-CG2 3.45Å; K164-V166 PolarHBondContact O-N 3.02Å |
| 167 | S | 55.1 | Low | 62.8 | Low | 59 Ų | 59 | 113.9 Ų | 113.9 | 41% | 0.413 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -147.9 | 137.2 | 179.1 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | V128 | V128-S167 PolarHBondContact N-O 3.39Å |
| 168 | Y | 53.8 | Low | 60.7 | Low | 153 Ų | 153 | 117.5 Ų | 117.5 | 60% | 0.6 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 120 | 168.4 | -178.3 | -100.9 | 0 | 0 | 0 | 108.4 | | |
| 169 | Q | 47.8 | Very low | 58.7 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 55% | 0.547 | 60% | 0.6 | S | S | . | * | | | trans | -114.2 | 103 | 177.2 | -168.4 | 178.5 | 20.7 | 0 | 0 | 110 | | |
| 170 | S | 46.8 | Very low | 56.9 | Low | 74 Ų | 74 | 118.4 Ų | 118.4 | 52% | 0.517 | 61% | 0.606 | S | S | . | * | | | trans | -87.1 | 110.2 | 169.5 | -174.6 | 0 | 0 | 0 | 0 | 109 | | |
| 171 | T | 49.7 | Very low | 55.2 | Low | 67 Ų | 67 | 116.8 Ų | 116.8 | 41% | 0.411 | 60% | 0.6 | S | S | . | * | | | trans | -107.2 | 114.9 | 173 | -53.7 | 0 | 0 | 0 | 0 | 108.7 | I173 | T171-I173 HydrophobicContact CG2-CG1 4.21Å; T171-I173 PolarHBondContact O-N 3.26Å |
| 172 | T | 49.8 | Very low | 54 | Low | 99 Ų | 99 | 115.9 Ų | 115.9 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | | | trans | -84.6 | 109.1 | 171.3 | -49.7 | 0 | 0 | 0 | 0 | 108.5 | I174 | T172-I174 HydrophobicContact CG2-CD1 4.21Å; T172-I174 HydrophobicContact CG2-CG1 3.65Å |
| 173 | I | 48.4 | Very low | 53 | Low | 88 Ų | 88 | 112.2 Ų | 112.2 | 45% | 0.451 | 58% | 0.58 | S | S | . | * | | | trans | -91.3 | 103 | 171 | -57.2 | 178.5 | 0 | 0 | 0 | 106.9 | T171 Y175 | T171-I173 HydrophobicContact CG2-CG1 4.21Å; T171-I173 PolarHBondContact O-N 3.26Å; I173-Y175 HydrophobicContact CG2-CD2 3.35Å; I173-Y175 HydrophobicContact CG2-CE2 3.22Å; I173-Y175 HydrophobicContact CG2-CG 4.42Å |
| 174 | I | 48.2 | Very low | 51.9 | Low | 147 Ų | 147 | 112.9 Ų | 112.9 | 75% | 0.754 | 58% | 0.575 | S | S | * | * | | | trans | -92.7 | 98.1 | 176 | -52.8 | 176 | 0 | 0 | 0 | 107.6 | T172 | T172-I174 HydrophobicContact CG2-CD1 4.21Å; T172-I174 HydrophobicContact CG2-CG1 3.65Å |
| 175 | Y | 39.7 | Very low | 51.1 | Low | 190 Ų | 190 | 109.2 Ų | 109.2 | 75% | 0.745 | 56% | 0.562 | S | S | * | * | | | trans | -100 | 130.2 | 162.6 | -77.5 | -71.1 | 0 | 0 | 0 | 108.4 | I173 K177 | I173-Y175 HydrophobicContact CG2-CD2 3.35Å; I173-Y175 HydrophobicContact CG2-CE2 3.22Å; I173-Y175 HydrophobicContact CG2-CG 4.42Å; Y175-K177 PolarHBondContact O-N 3.43Å |
| 176 | P | 53 | Low | 50.5 | Low | 114 Ų | 114 | 107.7 Ų | 107.7 | 74% | 0.74 | 55% | 0.552 | S | S | * | * | | | trans | -79.8 | 121.3 | 176.4 | 31.2 | -27.9 | 0 | 0 | 0 | 108.2 | | |
| 177 | K | 47.8 | Very low | 50.5 | Low | 182 Ų | 182 | 106.2 Ų | 106.2 | 79% | 0.791 | 54% | 0.541 | S | S | * | . | | | trans | -154.7 | -5.5 | 157.8 | -117.5 | 172.2 | -169.8 | -172.5 | 0 | 119.9 | Y175 | Y175-K177 PolarHBondContact O-N 3.43Š|
| 178 | H | 47.7 | Very low | 50.5 | Low | 157 Ų | 157 | 109.3 Ų | 109.3 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -135.1 | 150 | 173.2 | -64.3 | -62.3 | 0 | 0 | 0 | 115.1 | K180 | H178-K180 PolarHBondContact O-N 3.36Š|
| 179 | A | 48.9 | Very low | 50.6 | Low | 83 Ų | 83 | 104.1 Ų | 104.1 | 69% | 0.686 | 53% | 0.532 | S | S | * | . | | | trans | -71.5 | 124.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N181 | A179-N181 PolarHBondContact O-N 2.91Å; A179-N181 VanDerWaalsContact O-N 3.12Å |
| 180 | K | 49.8 | Very low | 51.2 | Low | 151 Ų | 151 | 104 Ų | 104 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | | | trans | -62.2 | 107.1 | 169.8 | 179.1 | -179.9 | 177.4 | 179.8 | 0 | 110.1 | H178 | H178-K180 PolarHBondContact O-N 3.36Š|
| 181 | N | 51.2 | Low | 51.7 | Low | 67 Ų | 67 | 103.1 Ų | 103.1 | 36% | 0.358 | 53% | 0.528 | S | S | . | . | | | trans | -87.5 | 119.5 | 174 | -65.8 | -31.2 | 0 | 0 | 0 | 109.7 | A179 Y183 | A179-N181 PolarHBondContact O-N 2.91Å; A179-N181 VanDerWaalsContact O-N 3.12Å; N181-Y183 HydrophobicContact CB-CE2 3.69Å |
| 182 | T | 52.3 | Low | 52.3 | Low | 85 Ų | 85 | 106.1 Ų | 106.1 | 52% | 0.521 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 117.5 | 174.6 | -57.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 183 | Y | 56 | Low | 52.7 | Low | 68 Ų | 68 | 103.3 Ų | 103.3 | 27% | 0.267 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.6 | 175.5 | -56.5 | -83.7 | 0 | 0 | 0 | 108.8 | N181 V202 | N181-Y183 HydrophobicContact CB-CE2 3.69Å; Y183-V202 HydrophobicContact CD2-CG1 4.5Å |
| 184 | R | 50 | Low | 53.1 | Low | 174 Ų | 174 | 102.8 Ų | 102.8 | 66% | 0.657 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 115.8 | 179.5 | -174.1 | -178.9 | 74.2 | 141.6 | 1 | 109.3 | T112 | T112-R184 HydrophobicContact CG2-CG 4.41Å |
| 185 | T | 52.8 | Low | 53.4 | Low | 39 Ų | 39 | 101.8 Ų | 101.8 | 24% | 0.239 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133.4 | 168.9 | -54.7 | 0 | 0 | 0 | 0 | 108.7 | S200 | T185-S200 PolarHBondContact OG1-OG 3.23Å |
| 186 | T | 52.2 | Low | 54.3 | Low | 55 Ų | 55 | 99.5 Ų | 99.5 | 34% | 0.337 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 117.5 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 187 | L | 58.7 | Low | 54.2 | Low | 62 Ų | 62 | 99.8 Ų | 99.8 | 33% | 0.325 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.1 | 177 | 177.7 | 69.5 | 0 | 0 | 0 | 108.5 | F198 | L187-F198 HydrophobicContact CD1-CB 4.48Å; L187-F198 HydrophobicContact CD1-CD1 3.77Å; L187-F198 HydrophobicContact CD1-CD2 4.11Å; L187-F198 HydrophobicContact CD1-CE1 3.92Å; L187-F198 HydrophobicContact CD1-CE2 4.24Å; L187-F198 HydrophobicContact CD1-CG 3.87Å; L187-F198 HydrophobicContact CD1-CZ 4.15Å; L187-F198 HydrophobicContact CD2-CB 3.94Å; L187-F198 HydrophobicContact CD2-CD1 4.45Å; L187-F198 HydrophobicContact CD2-CD2 3.4Å; L187-F198 VanDerWaalsContact CD2-CD2 3.4Å; L187-F198 HydrophobicContact CD2-CE2 3.95Å; L187-F198 HydrophobicContact CD2-CG 3.68Å; L187-F198 HydrophobicContact CG-CD2 4.36Å; L187-F198 HydrophobicContact CG-CG 4.45Å |
| 188 | N | 55.8 | Low | 54.8 | Low | 123 Ų | 123 | 94.8 Ų | 94.8 | 66% | 0.658 | 49% | 0.487 | S | S | * | . | | | trans | -104.3 | 113.4 | 173.6 | -62.9 | -37.5 | 0 | 0 | 0 | 108.1 | | |
| 189 | Y | 55.8 | Low | 54.8 | Low | 45 Ų | 45 | 89.3 Ų | 89.3 | 18% | 0.176 | 47% | 0.465 | C | S | . | . | | | trans | -114.4 | 126.7 | -176.4 | 177.3 | -104.9 | 0 | 0 | 0 | 111.3 | T103 P191 G193 F198 | T103-Y189 HydrophobicContact CG2-CE1 4Å; Y189-P191 HydrophobicContact CE1-CB 4.02Å; Y189-G193 PolarHBondContact OH-O 2.8Å; Y189-F198 HydrophobicContact CD2-CE2 4.05Å; Y189-F198 HydrophobicContact CD2-CZ 4.23Å |
| 190 | N | 61.3 | Low | 54.9 | Low | 114 Ų | 114 | 87.2 Ų | 87.2 | 61% | 0.61 | 45% | 0.445 | S | S | * | . | | | trans | -103.2 | 122 | 172.3 | -177.7 | -26.6 | 0 | 0 | 0 | 108.9 | T192 | N190-T192 PolarHBondContact O-N 2.87Å; N190-T192 PolarHBondContact OD1-N 3.18Å; N190-T192 PolarHBondContact OD1-OG1 2.57Å |
| 191 | P | 57.3 | Low | 54.8 | Low | 56 Ų | 56 | 82.5 Ų | 82.5 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -73.6 | 11 | -170 | 30.4 | -36.8 | 0 | 0 | 0 | 116 | Y189 G193 | Y189-P191 HydrophobicContact CE1-CB 4.02Å; P191-G193 PolarHBondContact O-N 2.92Å |
| 192 | T | 61.6 | Low | 54.9 | Low | 129 Ų | 129 | 81.8 Ų | 81.8 | 79% | 0.791 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -75 | 16.4 | -176.7 | -33.6 | 0 | 0 | 0 | 0 | 113.9 | N190 | N190-T192 PolarHBondContact O-N 2.87Å; N190-T192 PolarHBondContact OD1-N 3.18Å; N190-T192 PolarHBondContact OD1-OG1 2.57Å |
| 193 | G | 58.7 | Low | 54.8 | Low | 40 Ų | 40 | 82.6 Ų | 82.6 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -146 | 167.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y189 P191 | Y189-G193 PolarHBondContact OH-O 2.8Å; P191-G193 PolarHBondContact O-N 2.92Å |
| 194 | A | 56.1 | Low | 54.4 | Low | 78 Ų | 78 | 83.1 Ų | 83.1 | 65% | 0.645 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -53.8 | 156.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R196 | A194-R196 WeakPolarHBondContact O-CG 3.41Å; A194-R196 PolarHBondContact O-N 3.49Å |
| 195 | R | 55.5 | Low | 54.2 | Low | 126 Ų | 126 | 80.8 Ų | 80.8 | 48% | 0.475 | 43% | 0.428 | S | S | . | . | | | trans | -52.5 | 125.1 | -179.2 | -170.6 | 179.7 | -173.1 | -146.5 | 3.6 | 111 | E100 | E100-R195 VanDerWaalsContact CD-NH2 3.33Å; E100-R195 IonicContact OE1-CZ 3.68Å; E100-R195 IonicContact OE1-NH2 2.57Å; E100-R195 PolarHBondContact OE1-NH2 3.46Å |
| 196 | R | 57.8 | Low | 53.8 | Low | 141 Ų | 141 | 84.2 Ų | 84.2 | 53% | 0.532 | 45% | 0.454 | S | S | . | . | | | trans | -126.6 | 145.3 | 177.6 | -64.8 | -178.7 | -174.3 | -158.3 | -5.8 | 110.6 | A194 F198 | A194-R196 WeakPolarHBondContact O-CG 3.41Å; A194-R196 PolarHBondContact O-N 3.49Å; R196-F198 HydrophobicContact CB-CE2 3.96Å; R196-F198 HydrophobicContact CB-CZ 4.09Å |
| 197 | W | 50.8 | Low | 53.5 | Low | 120 Ų | 120 | 86.1 Ų | 86.1 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | | | trans | -111.8 | 142.9 | 171.3 | 58.8 | -81.7 | 0 | 0 | 0 | 109.2 | M10 V199 | M10-W197 HydrophobicContact CB-CH2 4.16Å; M10-W197 HydrophobicContact CB-CZ2 3.47Å; M10-W197 VanDerWaalsContact CB-CZ2 3.47Å; M10-W197 HydrophobicContact CG-CH2 3.79Å; M10-W197 HydrophobicContact CG-CZ2 3.61Å; M10-W197 HydrophobicContact SD-CH2 3.72Å; M10-W197 HydrophobicContact SD-CZ2 3.65Å; W197-V199 HydrophobicContact CE3-CG2 3.62Å; W197-V199 HydrophobicContact CZ3-CG2 3.46Å; W197-V199 VanDerWaalsContact CZ3-CG2 3.46Å |
| 198 | F | 60.4 | Low | 53 | Low | 77 Ų | 77 | 91.5 Ų | 91.5 | 34% | 0.338 | 49% | 0.493 | S | S | . | . | | | trans | -125 | 137 | -178.6 | -59.9 | -90.6 | 0 | 0 | 0 | 108.9 | L187 Y189 R196 | L187-F198 HydrophobicContact CD1-CB 4.48Å; L187-F198 HydrophobicContact CD1-CD1 3.77Å; L187-F198 HydrophobicContact CD1-CD2 4.11Å; L187-F198 HydrophobicContact CD1-CE1 3.92Å; L187-F198 HydrophobicContact CD1-CE2 4.24Å; L187-F198 HydrophobicContact CD1-CG 3.87Å; L187-F198 HydrophobicContact CD1-CZ 4.15Å; L187-F198 HydrophobicContact CD2-CB 3.94Å; L187-F198 HydrophobicContact CD2-CD1 4.45Å; L187-F198 HydrophobicContact CD2-CD2 3.4Å; L187-F198 VanDerWaalsContact CD2-CD2 3.4Å; L187-F198 HydrophobicContact CD2-CE2 3.95Å; L187-F198 HydrophobicContact CD2-CG 3.68Å; L187-F198 HydrophobicContact CG-CD2 4.36Å; L187-F198 HydrophobicContact CG-CG 4.45Å; Y189-F198 HydrophobicContact CD2-CE2 4.05Å; Y189-F198 HydrophobicContact CD2-CZ 4.23Å; R196-F198 HydrophobicContact CB-CE2 3.96Å; R196-F198 HydrophobicContact CB-CZ 4.09Å |
| 199 | V | 48.8 | Very low | 52.6 | Low | 43 Ų | 43 | 92 Ų | 92 | 26% | 0.261 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.1 | 174.9 | 179.3 | 0 | 0 | 0 | 0 | 109 | W197 | W197-V199 HydrophobicContact CE3-CG2 3.62Å; W197-V199 HydrophobicContact CZ3-CG2 3.46Å; W197-V199 VanDerWaalsContact CZ3-CG2 3.46Å |
| 200 | S | 50.6 | Low | 52.2 | Low | 39 Ų | 39 | 96 Ų | 96 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.6 | 171.1 | 177.9 | 0 | 0 | 0 | 0 | 108 | T185 | T185-S200 PolarHBondContact OG1-OG 3.23Å |
| 201 | T | 48.2 | Very low | 51.3 | Low | 52 Ų | 52 | 94 Ų | 94 | 32% | 0.319 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.3 | 179.2 | -46.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 202 | V | 51.9 | Low | 50.6 | Low | 52 Ų | 52 | 97 Ų | 97 | 32% | 0.315 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.9 | 173 | 178.6 | 0 | 0 | 0 | 0 | 108 | Y183 L204 | Y183-V202 HydrophobicContact CD2-CG1 4.5Å; V202-L204 HydrophobicContact CG1-CG 4.41Å |
| 203 | Q | 50.3 | Low | 49.6 | Very low | 101 Ų | 101 | 96.5 Ų | 96.5 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | | | trans | -98.2 | 123.5 | 174.4 | -176.6 | 170 | -30.5 | 0 | 0 | 109.5 | E205 | Q203-E205 HydrophobicContact CG-CG 4.46Å; Q203-E205 PolarHBondContact NE2-OE1 3.24Å |
| 204 | L | 48.9 | Very low | 48.8 | Very low | 79 Ų | 79 | 99.7 Ų | 99.7 | 41% | 0.414 | 55% | 0.551 | S | S | . | * | | | trans | -106.9 | 124 | 178.3 | -72.5 | 154.4 | 0 | 0 | 0 | 108.7 | M1 V202 | M1-L204 HydrophobicContact SD-CD2 3.72Å; V202-L204 HydrophobicContact CG1-CG 4.41Å |
| 205 | E | 45.3 | Very low | 48.1 | Very low | 125 Ų | 125 | 102.7 Ų | 102.7 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | | | trans | -114.2 | 124.1 | 175.4 | -66 | -175.9 | 176.5 | 0 | 0 | 109.5 | Q203 S207 | Q203-E205 HydrophobicContact CG-CG 4.46Å; Q203-E205 PolarHBondContact NE2-OE1 3.24Å; E205-S207 PolarHBondContact O-N 3.33Å |
| 206 | S | 43.8 | Very low | 47.4 | Very low | 112 Ų | 112 | 106.5 Ų | 106.5 | 78% | 0.783 | 57% | 0.571 | S | S | * | * | | | trans | -76.5 | 113.7 | 172.9 | 56.5 | 0 | 0 | 0 | 0 | 109.1 | E208 | S206-E208 PolarHBondContact O-N 3.19Å; S206-E208 VanDerWaalsContact O-N 3.15Å |
| 207 | S | 46.9 | Very low | 46.6 | Very low | 95 Ų | 95 | 105.3 Ų | 105.3 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | | | trans | -71.4 | 106 | 165.5 | 54.7 | 0 | 0 | 0 | 0 | 107.8 | E205 D209 | E205-S207 PolarHBondContact O-N 3.33Å; S207-D209 PolarHBondContact O-N 3.33Å |
| 208 | E | 46.8 | Very low | 46.1 | Very low | 175 Ų | 175 | 108.5 Ų | 108.5 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | | | trans | -68.8 | 97.4 | 171.5 | -162.7 | 168.5 | -159 | 0 | 0 | 107.5 | S206 T210 | S206-E208 PolarHBondContact O-N 3.19Å; S206-E208 VanDerWaalsContact O-N 3.15Å; E208-T210 PolarHBondContact O-N 3.34Å; E208-T210 PolarHBondContact O-OG1 3.02Å |
| 209 | D | 46.8 | Very low | 45.2 | Very low | 133 Ų | 133 | 112.4 Ų | 112.4 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | | | trans | -70.9 | 97 | 177.2 | -152.7 | -18.3 | 0 | 0 | 0 | 107.1 | S207 S211 | S207-D209 PolarHBondContact O-N 3.33Å; D209-S211 PolarHBondContact O-N 3.18Å; D209-S211 PolarHBondContact OD1-OG 2.71Å |
| 210 | T | 47.8 | Very low | 44.6 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | | | trans | -77.3 | 58 | 178.8 | -45.5 | 0 | 0 | 0 | 0 | 108.8 | E208 | E208-T210 PolarHBondContact O-N 3.34Å; E208-T210 PolarHBondContact O-OG1 3.02Å |
| 211 | S | 43.2 | Very low | 44.3 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 51% | 0.51 | 69% | 0.693 | S | S | . | * | | | trans | -98.3 | 111.7 | 176.9 | -71.3 | 0 | 0 | 0 | 0 | 107.8 | D209 C213 | D209-S211 PolarHBondContact O-N 3.18Å; D209-S211 PolarHBondContact OD1-OG 2.71Å; S211-C213 PolarHBondContact O-N 3.34Å; S211-C213 VanDerWaalsContact O-N 3.16Å |
| 212 | P | 41.9 | Very low | 44.1 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | | | trans | -65.7 | 117.2 | -179.2 | 24.7 | -31.2 | 0 | 0 | 0 | 110.2 | V214 | P212-V214 PolarHBondContact O-N 2.99Å; P212-V214 VanDerWaalsContact O-N 3.11Å |
| 213 | C | 41.5 | Very low | 43.6 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | | | trans | -67.6 | 105 | 173.4 | -59.4 | 0 | 0 | 0 | 0 | 109.6 | S211 I215 | S211-C213 PolarHBondContact O-N 3.34Å; S211-C213 VanDerWaalsContact O-N 3.16Å; C213-I215 PolarHBondContact O-N 3.5Å |
| 214 | V | 41.5 | Very low | 43.2 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | | | trans | -79.9 | 111.5 | 169.1 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | P212 Y216 | P212-V214 PolarHBondContact O-N 2.99Å; P212-V214 VanDerWaalsContact O-N 3.11Å; V214-Y216 HydrophobicContact CG1-CD2 4.27Å; V214-Y216 HydrophobicContact CG1-CE1 4.43Å; V214-Y216 HydrophobicContact CG1-CE2 3.84Å |
| 215 | I | 41.4 | Very low | 42.9 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | | | trans | -94.7 | 115.3 | 171.1 | -56.1 | 177.6 | 0 | 0 | 0 | 106.9 | C213 | C213-I215 PolarHBondContact O-N 3.5Š|
| 216 | Y | 40.1 | Very low | 42.7 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | -81.9 | 117.2 | 166.5 | -66.4 | -84.8 | 0 | 0 | 0 | 108 | V214 | V214-Y216 HydrophobicContact CG1-CD2 4.27Å; V214-Y216 HydrophobicContact CG1-CE1 4.43Å; V214-Y216 HydrophobicContact CG1-CE2 3.84Å |
| 217 | T | 41.9 | Very low | 42.6 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | | | trans | -89.1 | 110.7 | 166.1 | 47.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 218 | E | 40.8 | Very low | 42.3 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -79.2 | 124.7 | 162.9 | -69.9 | -173.9 | 166 | 0 | 0 | 107.9 | | |
| 219 | D | 40.7 | Very low | 41.9 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | -69.7 | 133.6 | 179.4 | -68.1 | -44.1 | 0 | 0 | 0 | 111.1 | | |
| 220 | L | 35.8 | Very low | 41.5 | Very low | 248 Ų | 248 | 145.7 Ų | 145.7 | 100% | 1.298 | 80% | 0.799 | S | S | * | * | | | trans | -136.4 | 0 | 169.1 | -111.6 | 154.5 | 0 | 0 | 0 | 109.9 | | |