| 1 | M | 25.4 | Very low | 27.7 | Very low | 230 Ų | 230 | 128.6 Ų | 128.6 | 100% | 1.133 | 73% | 0.729 | S | S | * | * | | | | 0 | 124.2 | 0 | -44.2 | -164.4 | -85.6 | 0 | 0 | 106.9 | | |
| 2 | P | 28.6 | Very low | 28.1 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | | | trans | -68.5 | 132 | 174.8 | 28 | -30.9 | 0 | 0 | 0 | 109.6 | E4 | P2-E4 PolarHBondContact O-N 3.45Š|
| 3 | V | 24.8 | Very low | 28 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | | | trans | -81.6 | 113.9 | 173.4 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 4 | E | 25.7 | Very low | 28.1 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | | | trans | -84.6 | 116 | 167.1 | -68.7 | -169.9 | 136.7 | 0 | 0 | 108.1 | P2 R160 | P2-E4 PolarHBondContact O-N 3.45Å; E4-R160 IonicContact OE1-CZ 2.79Å; E4-R160 IonicContact OE1-NH1 3.53Å; E4-R160 IonicContact OE1-NH2 3.86Å; E4-R160 PolarHBondContact OE1-NH2 2.94Å |
| 5 | T | 29.4 | Very low | 28 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 45% | 0.448 | 72% | 0.721 | S | S | . | * | | | trans | -105 | 103.2 | 171.9 | -53.3 | 0 | 0 | 0 | 0 | 108.2 | F7 P27 | T5-F7 HydrophobicContact CG2-CE1 4.39Å; T5-F7 HydrophobicContact CG2-CE2 4.28Å; T5-F7 HydrophobicContact CG2-CZ 4.05Å; T5-P27 HydrophobicContact CG2-CG 4.27Å |
| 6 | T | 29.4 | Very low | 28.1 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | | | trans | -90.3 | 121.5 | 173.8 | -58.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 7 | F | 29.2 | Very low | 28 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | | | trans | -85.5 | 110.1 | 170.2 | -60 | -85.7 | 0 | 0 | 0 | 107.9 | T5 L26 | T5-F7 HydrophobicContact CG2-CE1 4.39Å; T5-F7 HydrophobicContact CG2-CE2 4.28Å; T5-F7 HydrophobicContact CG2-CZ 4.05Å; F7-L26 HydrophobicContact CE1-CD2 4.26Å |
| 8 | G | 25.5 | Very low | 27.8 | Very low | 65 Ų | 65 | 124.3 Ų | 124.3 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | | | trans | -95.5 | 132.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 9 | L | 28.6 | Very low | 27.7 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 63% | 0.634 | 70% | 0.704 | S | S | * | * | | | trans | -84.5 | 110.2 | 166 | -70 | 166.9 | 0 | 0 | 0 | 107.6 | | |
| 10 | T | 29.7 | Very low | 27.7 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | -86.5 | 122.6 | 173 | 41.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 11 | D | 28 | Very low | 27.7 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | | | trans | 29.2 | 93.4 | 165.6 | -70.8 | -34 | 0 | 0 | 0 | 118 | T13 | D11-T13 PolarHBondContact O-N 3.02Š|
| 12 | T | 32.6 | Very low | 27.8 | Very low | 100 Ų | 100 | 113.5 Ų | 113.5 | 61% | 0.613 | 65% | 0.648 | S | S | * | * | | | trans | -74.9 | 99.3 | 160 | 35.2 | 0 | 0 | 0 | 0 | 110.4 | V14 M20 | T12-V14 PolarHBondContact O-N 3.02Å; T12-M20 HydrophobicContact CG2-CE 3.58Å |
| 13 | T | 27.3 | Very low | 27.9 | Very low | 131 Ų | 131 | 111.8 Ų | 111.8 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | | | trans | -74.3 | 109.4 | 161.8 | 49.6 | 0 | 0 | 0 | 0 | 109 | D11 D15 | D11-T13 PolarHBondContact O-N 3.02Å; T13-D15 PolarHBondContact O-N 2.86Å; T13-D15 VanDerWaalsContact O-N 3.16Å |
| 14 | V | 29.3 | Very low | 28.1 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | | | trans | -82.3 | 88.2 | 178.1 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | T12 | T12-V14 PolarHBondContact O-N 3.02Š|
| 15 | D | 25.8 | Very low | 28.1 | Very low | 125 Ų | 125 | 112.8 Ų | 112.8 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | | | trans | -83.1 | 121.5 | 167.5 | -130.8 | -60.2 | 0 | 0 | 0 | 108.8 | T13 D17 A18 | T13-D15 PolarHBondContact O-N 2.86Å; T13-D15 VanDerWaalsContact O-N 3.16Å; D15-D17 PolarHBondContact O-N 3.3Å; D15-A18 HydrophobicContact CB-CB 4.06Å; D15-A18 PolarHBondContact O-N 2.91Å |
| 16 | N | 29.6 | Very low | 28.1 | Very low | 148 Ų | 148 | 114.6 Ų | 114.6 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 1.5 | -160.9 | -85.4 | -64.2 | 0 | 0 | 0 | 115.7 | | |
| 17 | D | 27.9 | Very low | 28 | Very low | 147 Ų | 147 | 112.9 Ų | 112.9 | 79% | 0.786 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | -2.7 | 175.2 | -105.4 | -51.8 | 0 | 0 | 0 | 114.9 | D15 K59 | D15-D17 PolarHBondContact O-N 3.3Å; D17-K59 VanDerWaalsContact C-NZ 3.33Å; D17-K59 PolarHBondContact O-NZ 3.36Å |
| 18 | A | 24.4 | Very low | 27.8 | Very low | 55 Ų | 55 | 111 Ų | 111 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | | | trans | -96.6 | 151.2 | -160.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D15 M20 | D15-A18 HydrophobicContact CB-CB 4.06Å; D15-A18 PolarHBondContact O-N 2.91Å; A18-M20 PolarHBondContact O-N 2.87Å |
| 19 | V | 25.9 | Very low | 27.9 | Very low | 89 Ų | 89 | 114 Ų | 114 | 54% | 0.539 | 64% | 0.637 | S | S | . | * | | | trans | -54.4 | 127.1 | 166.2 | 173.1 | 0 | 0 | 0 | 0 | 108.6 | E21 K56 | V19-E21 HydrophobicContact CG1-CG 4.4Å; V19-E21 PolarHBondContact O-N 3.25Å; V19-E21 VanDerWaalsContact O-N 3.12Å; V19-K56 HydrophobicContact CG1-CG 4.12Å |
| 20 | M | 26.5 | Very low | 27.8 | Very low | 96 Ų | 96 | 114.6 Ų | 114.6 | 47% | 0.473 | 65% | 0.645 | S | S | . | * | | | trans | -78.1 | 98 | 176.7 | -162.6 | 179 | -171.8 | 0 | 0 | 108.5 | T12 A18 | T12-M20 HydrophobicContact CG2-CE 3.58Å; A18-M20 PolarHBondContact O-N 2.87Å |
| 21 | E | 27.7 | Very low | 27.8 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 60% | 0.603 | 65% | 0.645 | S | S | * | * | | | trans | -82.9 | 116.7 | 166.9 | -68.9 | -162.2 | 134.6 | 0 | 0 | 108.6 | V19 | V19-E21 HydrophobicContact CG1-CG 4.4Å; V19-E21 PolarHBondContact O-N 3.25Å; V19-E21 VanDerWaalsContact O-N 3.12Å |
| 22 | Q | 28.8 | Very low | 27.6 | Very low | 61 Ų | 61 | 112.6 Ų | 112.6 | 29% | 0.285 | 64% | 0.643 | S | S | . | * | | | trans | -97.8 | 111.7 | 169.6 | -84.4 | -176.7 | -31.5 | 0 | 0 | 108.3 | Y24 | Q22-Y24 HydrophobicContact CB-CE2 3.99Å; Q22-Y24 PolarHBondContact OE1-OH 2.89Å |
| 23 | T | 29.5 | Very low | 27.4 | Very low | 87 Ų | 87 | 112.8 Ų | 112.8 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | | | trans | -94.4 | 129.2 | 174.4 | -56 | 0 | 0 | 0 | 0 | 109.2 | V52 | T23-V52 HydrophobicContact CG2-CG1 4.46Š|
| 24 | Y | 28.8 | Very low | 27.3 | Very low | 100 Ų | 100 | 114.4 Ų | 114.4 | 39% | 0.392 | 65% | 0.652 | S | S | . | * | | | trans | -106.9 | 112.8 | 174.6 | -60.2 | -93.9 | 0 | 0 | 0 | 108.2 | Q22 | Q22-Y24 HydrophobicContact CB-CE2 3.99Å; Q22-Y24 PolarHBondContact OE1-OH 2.89Å |
| 25 | E | 26.6 | Very low | 27.3 | Very low | 175 Ų | 175 | 112.4 Ų | 112.4 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 121 | 165.3 | -77.3 | -162.5 | 135.5 | 0 | 0 | 109.5 | | |
| 26 | L | 29 | Very low | 27.3 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 141 | 169.4 | -74.7 | 153.3 | 0 | 0 | 0 | 108.5 | F7 S28 | F7-L26 HydrophobicContact CE1-CD2 4.26Å; L26-S28 PolarHBondContact O-N 2.8Å; L26-S28 VanDerWaalsContact O-N 3.1Å |
| 27 | P | 27 | Very low | 27.4 | Very low | 90 Ų | 90 | 111.3 Ų | 111.3 | 58% | 0.584 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 119.9 | 179.8 | 21.5 | -30.9 | 0 | 0 | 0 | 110.4 | T5 V29 | T5-P27 HydrophobicContact CG2-CG 4.27Å; P27-V29 PolarHBondContact O-N 3.22Å |
| 28 | S | 25.3 | Very low | 27.4 | Very low | 113 Ų | 113 | 110 Ų | 110 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.1 | 172.3 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | L26 V30 | L26-S28 PolarHBondContact O-N 2.8Å; L26-S28 VanDerWaalsContact O-N 3.1Å; S28-V30 PolarHBondContact O-N 3.47Å |
| 29 | V | 28.4 | Very low | 27.4 | Very low | 130 Ų | 130 | 110.7 Ų | 110.7 | 79% | 0.788 | 68% | 0.679 | S | S | * | * | | | trans | -74.4 | 109.1 | 168.4 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | P27 H31 | P27-V29 PolarHBondContact O-N 3.22Å; V29-H31 PolarHBondContact O-N 3.22Å |
| 30 | V | 26.6 | Very low | 27.4 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | | | trans | -66.3 | 112.7 | 171.8 | -178 | 0 | 0 | 0 | 0 | 107.8 | S28 G32 | S28-V30 PolarHBondContact O-N 3.47Å; V30-G32 PolarHBondContact O-N 2.79Å |
| 31 | H | 28.3 | Very low | 27.3 | Very low | 151 Ų | 151 | 116.5 Ų | 116.5 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 120.6 | 170.8 | -83.1 | 153.7 | 0 | 0 | 0 | 109.3 | V29 S33 | V29-H31 PolarHBondContact O-N 3.22Å; H31-S33 PolarHBondContact O-N 3.24Å |
| 32 | G | 25.4 | Very low | 27.1 | Very low | 77 Ų | 77 | 115.2 Ų | 115.2 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 119.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109 | V30 | V30-G32 PolarHBondContact O-N 2.79Š|
| 33 | S | 27.8 | Very low | 26.8 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67 | 140.3 | -179.4 | -46.7 | 0 | 0 | 0 | 0 | 112.9 | H31 | H31-S33 PolarHBondContact O-N 3.24Š|
| 34 | D | 25.9 | Very low | 26.5 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | 53.4 | 102.5 | 145.3 | -53 | -29.7 | 0 | 0 | 0 | 119.9 | | |
| 35 | G | 27.9 | Very low | 26.3 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | -152.7 | 88.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 36 | S | 26.7 | Very low | 26.1 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -35.7 | 130.3 | 172.9 | -175.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 37 | T | 31.7 | Very low | 25.9 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | | -174.2 | 128.4 | 123.3 | 24.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 38 | S | 27.2 | Very low | 25.6 | Very low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -39.4 | 137.1 | 170.6 | 50 | 0 | 0 | 0 | 0 | 116.1 | | |
| 39 | G | 25.6 | Very low | 25.5 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | 158.5 | 93.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 40 | Q | 25.7 | Very low | 25.2 | Very low | 194 Ų | 194 | 125.4 Ų | 125.4 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | | | trans | 68.1 | 103.8 | 147 | -64.7 | 179.3 | -7.5 | 0 | 0 | 119.6 | | |
| 41 | S | 23.4 | Very low | 25.2 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | | 79.4 | 100 | 125.8 | -130.1 | 0 | 0 | 0 | 0 | 121 | | |
| 42 | S | 24.4 | Very low | 25.1 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | | 79.4 | 71.5 | 122.3 | -51.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 43 | R | 22.6 | Very low | 25.1 | Very low | 243 Ų | 243 | 117.3 Ų | 117.3 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | | | | 170.3 | 98.6 | 110 | -102.6 | 180 | 170.1 | 168.3 | -2.5 | 108.5 | V45 | R43-V45 PolarHBondContact O-N 3.26Š|
| 44 | A | 22.3 | Very low | 25 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | | | trans | -61.7 | 116.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109 | P46 | A44-P46 WeakPolarHBondContact O-CD 3.43Š|
| 45 | V | 24.2 | Very low | 25.1 | Very low | 133 Ų | 133 | 110.4 Ų | 110.4 | 81% | 0.806 | 68% | 0.681 | S | S | * | * | | | trans | -84.6 | 112.4 | 159 | 179.1 | 0 | 0 | 0 | 0 | 105.2 | R43 N47 | R43-V45 PolarHBondContact O-N 3.26Å; V45-N47 PolarHBondContact O-N 3.43Å |
| 46 | P | 23.9 | Very low | 25 | Very low | 106 Ų | 106 | 112.8 Ų | 112.8 | 69% | 0.688 | 67% | 0.67 | S | S | * | * | | | trans | -67 | 122.2 | -176.9 | -2.9 | 15.9 | 0 | 0 | 0 | 109.7 | A44 | A44-P46 WeakPolarHBondContact O-CD 3.43Š|
| 47 | N | 23.3 | Very low | 25.2 | Very low | 124 Ų | 124 | 110.9 Ų | 110.9 | 66% | 0.663 | 65% | 0.649 | S | S | * | * | | | | 35 | 117.2 | 118.9 | -72 | -16.6 | 0 | 0 | 0 | 117.8 | V45 | V45-N47 PolarHBondContact O-N 3.43Š|
| 48 | S | 22.2 | Very low | 24.8 | Very low | 105 Ų | 105 | 112.2 Ų | 112.2 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | | | | 57.4 | 101.2 | 128.6 | 66.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 49 | L | 21.6 | Very low | 24.8 | Very low | 152 Ų | 152 | 112.6 Ų | 112.6 | 80% | 0.796 | 63% | 0.632 | S | S | * | * | | | trans | -145.5 | 136.1 | 140.3 | -73.1 | 179.1 | 0 | 0 | 0 | 108.9 | V51 | L49-V51 PolarHBondContact O-N 3.22Š|
| 50 | P | 22.8 | Very low | 24.9 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | | | trans | -63.6 | 120 | 171.6 | 26.2 | -31.2 | 0 | 0 | 0 | 108.8 | V52 | P50-V52 PolarHBondContact O-N 3.1Š|
| 51 | V | 26.3 | Very low | 25 | Very low | 44 Ų | 44 | 111.5 Ų | 111.5 | 27% | 0.267 | 62% | 0.615 | S | S | . | * | | | trans | -91.6 | 97.7 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | L49 Y53 V175 | L49-V51 PolarHBondContact O-N 3.22Å; V51-Y53 HydrophobicContact CB-CE2 4.01Å; V51-Y53 HydrophobicContact CG1-CD2 3.79Å; V51-Y53 HydrophobicContact CG1-CE1 4.15Å; V51-Y53 HydrophobicContact CG1-CE2 3.28Å; V51-Y53 HydrophobicContact CG1-CG 4.41Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.48Å; V51-V175 HydrophobicContact CG1-CB 4.2Å; V51-V175 HydrophobicContact CG1-CG1 3.49Å; V51-V175 VanDerWaalsContact CG1-CG1 3.49Å; V51-V175 HydrophobicContact CG1-CG2 3.98Å; V51-V175 HydrophobicContact CG2-CG1 4.21Å; V51-V175 HydrophobicContact CG2-CG2 3.88Å |
| 52 | V | 26.1 | Very low | 25.2 | Very low | 90 Ų | 90 | 115 Ų | 115 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | | | trans | -81.2 | 120 | 170 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | T23 P50 | T23-V52 HydrophobicContact CG2-CG1 4.46Å; P50-V52 PolarHBondContact O-N 3.1Å |
| 53 | Y | 26.3 | Very low | 25.3 | Very low | 56 Ų | 56 | 114.6 Ų | 114.6 | 22% | 0.22 | 61% | 0.609 | C | S | . | * | | | trans | -103.7 | 116.4 | 175.1 | -70.8 | -89.5 | 0 | 0 | 0 | 110.3 | V51 K174 V175 | V51-Y53 HydrophobicContact CB-CE2 4.01Å; V51-Y53 HydrophobicContact CG1-CD2 3.79Å; V51-Y53 HydrophobicContact CG1-CE1 4.15Å; V51-Y53 HydrophobicContact CG1-CE2 3.28Å; V51-Y53 HydrophobicContact CG1-CG 4.41Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.48Å; Y53-K174 WeakPolarHBondContact CE1-O 3.22Å; Y53-K174 PolarHBondContact OH-O 2.92Å; Y53-V175 VanDerWaalsContact OH-CA 3.28Å; Y53-V175 WeakPolarHBondContact OH-CA 3.28Å; Y53-V175 PolarHBondContact OH-N 2.77Å |
| 54 | S | 25.5 | Very low | 25.5 | Very low | 37 Ų | 37 | 106.2 Ų | 106.2 | 26% | 0.259 | 59% | 0.588 | S | S | . | * | | | trans | -104.7 | 117.2 | 172.9 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 55 | I | 27.8 | Very low | 25.6 | Very low | 86 Ų | 86 | 104 Ų | 104 | 44% | 0.441 | 56% | 0.562 | S | S | . | * | | | trans | -92.7 | 101.6 | 174.8 | -58 | 174.6 | 0 | 0 | 0 | 108.3 | E57 | I55-E57 HydrophobicContact CG2-CG 4.12Å; I55-E57 PolarHBondContact O-N 3.24Å |
| 56 | K | 25.6 | Very low | 25.9 | Very low | 126 Ų | 126 | 104 Ų | 104 | 55% | 0.548 | 55% | 0.547 | S | S | . | . | | | trans | -74.6 | 90 | 167.2 | -88.4 | -178.1 | 174.4 | 176.8 | 0 | 110 | V19 Q58 | V19-K56 HydrophobicContact CG1-CG 4.12Å; K56-Q58 PolarHBondContact O-N 2.88Å |
| 57 | E | 30.4 | Very low | 26 | Very low | 75 Ų | 75 | 105.1 Ų | 105.1 | 35% | 0.35 | 54% | 0.543 | S | S | . | . | | | trans | -71.8 | 112.9 | 163.5 | -78.4 | -165.3 | 149.2 | 0 | 0 | 109.3 | I55 K59 R66 | I55-E57 HydrophobicContact CG2-CG 4.12Å; I55-E57 PolarHBondContact O-N 3.24Å; E57-K59 PolarHBondContact O-N 3.4Å; E57-R66 IonicContact OE2-NH2 3.97Å |
| 58 | Q | 24.1 | Very low | 26.3 | Very low | 162 Ų | 162 | 101.1 Ų | 101.1 | 76% | 0.757 | 52% | 0.523 | S | S | * | . | | | trans | -64.4 | 121.8 | 166.1 | -82.7 | -173.9 | -17.9 | 0 | 0 | 109.1 | K56 N60 L61 | K56-Q58 PolarHBondContact O-N 2.88Å; Q58-N60 PolarHBondContact O-N 3.29Å; Q58-L61 PolarHBondContact O-N 3.24Å |
| 59 | K | 27.5 | Very low | 26.5 | Very low | 127 Ų | 127 | 99 Ų | 99 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 2.9 | -171.8 | -77.8 | 179.3 | 174.5 | 177.4 | 0 | 116.8 | D17 E57 | D17-K59 VanDerWaalsContact C-NZ 3.33Å; D17-K59 PolarHBondContact O-NZ 3.36Å; E57-K59 PolarHBondContact O-N 3.4Å |
| 60 | N | 27.9 | Very low | 26.9 | Very low | 161 Ų | 161 | 96.5 Ų | 96.5 | 86% | 0.861 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 6.1 | -178.5 | -108.6 | -41.5 | 0 | 0 | 0 | 115.7 | Q58 | Q58-N60 PolarHBondContact O-N 3.29Š|
| 61 | L | 27.6 | Very low | 27.3 | Very low | 81 Ų | 81 | 95 Ų | 95 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | | | trans | -127.5 | 27.1 | -179 | -73.2 | 158.5 | 0 | 0 | 0 | 113.6 | Q58 S63 S64 L65 | Q58-L61 PolarHBondContact O-N 3.24Å; L61-S63 PolarHBondContact O-N 3.29Å; L61-S64 PolarHBondContact O-N 3.29Å; L61-S64 VanDerWaalsContact O-N 3.16Å; L61-L65 HydrophobicContact CB-CB 4.26Å; L61-L65 HydrophobicContact CB-CD1 3.64Å; L61-L65 HydrophobicContact CD1-CD1 3.55Å; L61-L65 HydrophobicContact CD2-CD1 4.48Å; L61-L65 HydrophobicContact CG-CD1 4.07Å; L61-L65 PolarHBondContact O-N 3.39Å; L61-L65 VanDerWaalsContact O-N 3.1Å |
| 62 | R | 26.6 | Very low | 27.4 | Very low | 185 Ų | 185 | 98.4 Ų | 98.4 | 70% | 0.698 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -15.5 | -167 | -74.6 | 179.7 | 96.9 | 166.3 | 4 | 116.6 | | |
| 63 | S | 26.6 | Very low | 27.7 | Very low | 96 Ų | 96 | 98.4 Ų | 98.4 | 67% | 0.671 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -31.6 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 114 | L61 H67 | L61-S63 PolarHBondContact O-N 3.29Å; S63-H67 PolarHBondContact O-CD2 3.46Å |
| 64 | S | 26.4 | Very low | 27.9 | Very low | 67 Ų | 67 | 98.8 Ų | 98.8 | 47% | 0.469 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -86.2 | -31.3 | -172.7 | -168.3 | 0 | 0 | 0 | 0 | 112.7 | L61 T68 | L61-S64 PolarHBondContact O-N 3.29Å; L61-S64 VanDerWaalsContact O-N 3.16Å; S64-T68 PolarHBondContact O-N 2.98Å; S64-T68 PolarHBondContact O-OG1 2.79Å |
| 65 | L | 26 | Very low | 28 | Very low | 52 Ų | 52 | 98.9 Ų | 98.9 | 27% | 0.272 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.2 | -31.9 | -178.7 | -123.4 | 90.4 | 0 | 0 | 0 | 113.3 | L61 H67 T68 C69 | L61-L65 HydrophobicContact CB-CB 4.26Å; L61-L65 HydrophobicContact CB-CD1 3.64Å; L61-L65 HydrophobicContact CD1-CD1 3.55Å; L61-L65 HydrophobicContact CD2-CD1 4.48Å; L61-L65 HydrophobicContact CG-CD1 4.07Å; L61-L65 PolarHBondContact O-N 3.39Å; L61-L65 VanDerWaalsContact O-N 3.1Å; L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 3.26Å; L65-T68 VanDerWaalsContact CA-OG1 3.28Å; L65-T68 WeakPolarHBondContact CA-OG1 3.5Å; L65-T68 PolarHBondContact O-N 3.2Å; L65-T68 PolarHBondContact O-OG1 2.77Å; L65-C69 WeakPolarHBondContact O-CB 3.49Å; L65-C69 PolarHBondContact O-N 3.38Å |
| 66 | R | 28.5 | Very low | 28.2 | Very low | 133 Ų | 133 | 97.1 Ų | 97.1 | 50% | 0.502 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 177.7 | -69.1 | -174.5 | 176.6 | -149.1 | -2.5 | 112.2 | E57 H70 | E57-R66 IonicContact OE2-NH2 3.97Å; R66-H70 PolarHBondContact O-N 3.39Å |
| 67 | H | 27.4 | Very low | 28.5 | Very low | 129 Ų | 129 | 95.8 Ų | 95.8 | 60% | 0.597 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -75.2 | -35.6 | 174.6 | -76.8 | -62.4 | 0 | 0 | 0 | 113.1 | S63 L65 Q71 | S63-H67 PolarHBondContact O-CD2 3.46Å; L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 3.26Å; H67-Q71 WeakPolarHBondContact O-CG 3.46Å; H67-Q71 PolarHBondContact O-N 3.31Å |
| 68 | T | 28.3 | Very low | 28.6 | Very low | 40 Ų | 40 | 97 Ų | 97 | 25% | 0.245 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -77.1 | -36.4 | 178.4 | 33.1 | 0 | 0 | 0 | 0 | 112.7 | S64 L65 Q71 R72 | S64-T68 PolarHBondContact O-N 2.98Å; S64-T68 PolarHBondContact O-OG1 2.79Å; L65-T68 VanDerWaalsContact CA-OG1 3.28Å; L65-T68 WeakPolarHBondContact CA-OG1 3.5Å; L65-T68 PolarHBondContact O-N 3.2Å; L65-T68 PolarHBondContact O-OG1 2.77Å; T68-Q71 PolarHBondContact O-N 3.4Å; T68-R72 WeakPolarHBondContact O-CB 3.14Å; T68-R72 WeakPolarHBondContact O-CD 3.45Å; T68-R72 WeakPolarHBondContact O-CG 3.28Å; T68-R72 PolarHBondContact O-N 3.04Å |
| 69 | C | 27.8 | Very low | 28.9 | Very low | 61 Ų | 61 | 91.2 Ų | 91.2 | 41% | 0.412 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 174.8 | -102.8 | 0 | 0 | 0 | 0 | 112.7 | L65 Q71 R72 V73 | L65-C69 WeakPolarHBondContact O-CB 3.49Å; L65-C69 PolarHBondContact O-N 3.38Å; C69-Q71 PolarHBondContact O-N 3.2Å; C69-R72 PolarHBondContact O-N 3.24Å; C69-V73 WeakPolarHBondContact O-CG2 3.5Å; C69-V73 PolarHBondContact O-N 3.23Å; C69-V73 VanDerWaalsContact O-N 3.1Å |
| 70 | H | 30.3 | Very low | 29.1 | Very low | 99 Ų | 99 | 87.1 Ų | 87.1 | 46% | 0.458 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 176.8 | -109 | -81.6 | 0 | 0 | 0 | 113.1 | R66 S74 | R66-H70 PolarHBondContact O-N 3.39Å; H70-S74 WeakPolarHBondContact O-CB 3.34Å; H70-S74 PolarHBondContact O-N 3.37Å; H70-S74 PolarHBondContact O-OG 3.02Å |
| 71 | Q | 29.3 | Very low | 29.4 | Very low | 89 Ų | 89 | 89.6 Ų | 89.6 | 42% | 0.416 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.7 | -36.6 | 174.8 | -75.4 | -179.8 | -13.7 | 0 | 0 | 111.8 | H67 T68 C69 S74 A75 | H67-Q71 WeakPolarHBondContact O-CG 3.46Å; H67-Q71 PolarHBondContact O-N 3.31Å; T68-Q71 PolarHBondContact O-N 3.4Å; C69-Q71 PolarHBondContact O-N 3.2Å; Q71-S74 PolarHBondContact O-N 3.02Å; Q71-A75 WeakPolarHBondContact O-CB 3.48Å; Q71-A75 PolarHBondContact O-N 2.76Å |
| 72 | R | 30.5 | Very low | 29.8 | Very low | 114 Ų | 114 | 91.3 Ų | 91.3 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | -179.8 | -75.5 | 165 | -174.4 | -174.2 | 1.1 | 112.9 | T68 C69 L76 | T68-R72 WeakPolarHBondContact O-CB 3.14Å; T68-R72 WeakPolarHBondContact O-CD 3.45Å; T68-R72 WeakPolarHBondContact O-CG 3.28Å; T68-R72 PolarHBondContact O-N 3.04Å; C69-R72 PolarHBondContact O-N 3.24Å; R72-L76 WeakPolarHBondContact O-CD1 3.49Å; R72-L76 WeakPolarHBondContact O-CG 3.5Å; R72-L76 PolarHBondContact O-N 3.36Å |
| 73 | V | 31.4 | Very low | 30.1 | Very low | 90 Ų | 90 | 88.3 Ų | 88.3 | 55% | 0.545 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.8 | -37.5 | 177.4 | 178 | 0 | 0 | 0 | 0 | 111.7 | C69 L76 L77 | C69-V73 WeakPolarHBondContact O-CG2 3.5Å; C69-V73 PolarHBondContact O-N 3.23Å; C69-V73 VanDerWaalsContact O-N 3.1Å; V73-L76 PolarHBondContact O-N 3.37Å; V73-L77 HydrophobicContact CG1-CD1 4.18Å; V73-L77 PolarHBondContact O-N 2.73Å |
| 74 | S | 29.8 | Very low | 30.1 | Very low | 65 Ų | 65 | 85.8 Ų | 85.8 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 177.9 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | H70 Q71 L78 | H70-S74 WeakPolarHBondContact O-CB 3.34Å; H70-S74 PolarHBondContact O-N 3.37Å; H70-S74 PolarHBondContact O-OG 3.02Å; Q71-S74 PolarHBondContact O-N 3.02Å; S74-L78 PolarHBondContact O-N 3.04Å |
| 75 | A | 29.3 | Very low | 30.4 | Very low | 38 Ų | 38 | 87.4 Ų | 87.4 | 31% | 0.314 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68 | -36.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q71 L78 H79 | Q71-A75 WeakPolarHBondContact O-CB 3.48Å; Q71-A75 PolarHBondContact O-N 2.76Å; A75-L78 PolarHBondContact O-N 2.71Å; A75-H79 WeakPolarHBondContact O-CB 3.22Å; A75-H79 PolarHBondContact O-N 3.31Å |
| 76 | L | 30.6 | Very low | 30.6 | Very low | 50 Ų | 50 | 88 Ų | 88 | 26% | 0.262 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 177.3 | -85.2 | 155.8 | 0 | 0 | 0 | 112.7 | R72 V73 Q80 | R72-L76 WeakPolarHBondContact O-CD1 3.49Å; R72-L76 WeakPolarHBondContact O-CG 3.5Å; R72-L76 PolarHBondContact O-N 3.36Å; V73-L76 PolarHBondContact O-N 3.37Å; L76-Q80 PolarHBondContact O-N 3.38Å |
| 77 | L | 32.2 | Very low | 30.5 | Very low | 97 Ų | 97 | 91 Ų | 91 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.8 | -34.4 | 176.3 | -80.1 | 152.6 | 0 | 0 | 0 | 112.8 | V73 | V73-L77 HydrophobicContact CG1-CD1 4.18Å; V73-L77 PolarHBondContact O-N 2.73Å |
| 78 | L | 31.9 | Very low | 30.8 | Very low | 102 Ų | 102 | 90.9 Ų | 90.9 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.5 | -42.3 | 175 | -110.6 | 99 | 0 | 0 | 0 | 112.5 | S74 A75 Q80 R81 | S74-L78 PolarHBondContact O-N 3.04Å; A75-L78 PolarHBondContact O-N 2.71Å; L78-Q80 VanDerWaalsContact C-N 3.29Å; L78-Q80 PolarHBondContact O-N 3.24Å; L78-R81 PolarHBondContact O-N 3.25Å |
| 79 | H | 31.3 | Very low | 31 | Very low | 40 Ų | 40 | 90.3 Ų | 90.3 | 19% | 0.185 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.5 | -34.6 | 179.9 | -109.1 | 69.8 | 0 | 0 | 0 | 112.5 | A75 R81 Q82 | A75-H79 WeakPolarHBondContact O-CB 3.22Å; A75-H79 PolarHBondContact O-N 3.31Å; H79-R81 PolarHBondContact O-N 3.18Å; H79-Q82 PolarHBondContact O-N 3.2Å |
| 80 | Q | 31.3 | Very low | 31.1 | Very low | 41 Ų | 41 | 92.2 Ų | 92.2 | 19% | 0.192 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67.4 | -23.2 | 179.3 | -139.9 | -169.5 | -1.2 | 0 | 0 | 113.4 | L76 L78 N172 | L76-Q80 PolarHBondContact O-N 3.38Å; L78-Q80 VanDerWaalsContact C-N 3.29Å; L78-Q80 PolarHBondContact O-N 3.24Å; Q80-N172 VanDerWaalsContact NE2-CB 3.34Å; Q80-N172 PolarHBondContact NE2-ND2 2.95Å |
| 81 | R | 33.8 | Very low | 31 | Very low | 213 Ų | 213 | 92.5 Ų | 92.5 | 80% | 0.804 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -85.7 | -24.7 | 177.5 | -97.4 | -150.6 | 166.5 | 174.9 | -0.7 | 114.5 | L78 H79 | L78-R81 PolarHBondContact O-N 3.25Å; H79-R81 PolarHBondContact O-N 3.18Å |
| 82 | Q | 35.8 | Very low | 30.9 | Very low | 117 Ų | 117 | 96 Ų | 96 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -83.2 | -26 | 179.7 | -75.1 | -174.9 | -15.8 | 0 | 0 | 113.4 | H79 | H79-Q82 PolarHBondContact O-N 3.2Å |
| 83 | Q | 33.5 | Very low | 30.8 | Very low | 122 Ų | 122 | 95.2 Ų | 95.2 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -101.7 | 8.2 | -176.3 | -67 | -165.8 | -5.6 | 0 | 0 | 115.1 | | |
| 84 | G | 27.9 | Very low | 30.6 | Very low | 43 Ų | 43 | 92.1 Ų | 92.1 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | | | trans | 74.2 | 141.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | G86 | G84-G86 PolarHBondContact O-N 3.45Š|
| 85 | A | 32.5 | Very low | 30.4 | Very low | 101 Ų | 101 | 94 Ų | 94 | 84% | 0.835 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 101.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 86 | G | 28.6 | Very low | 30.2 | Very low | 65 Ų | 65 | 97.1 Ų | 97.1 | 67% | 0.67 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 160 | -14.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | G84 | G84-G86 PolarHBondContact O-N 3.45Š|
| 87 | R | 27.7 | Very low | 29.9 | Very low | 194 Ų | 194 | 102.1 Ų | 102.1 | 73% | 0.732 | 53% | 0.53 | S | S | * | . | | | trans | -102.6 | 131.8 | 177.5 | -70.3 | -143.4 | 175.5 | -160 | 1 | 113.5 | V89 | R87-V89 PolarHBondContact O-N 3.02Š|
| 88 | P | 33.1 | Very low | 29.6 | Very low | 127 Ų | 127 | 101.2 Ų | 101.2 | 83% | 0.825 | 52% | 0.524 | S | S | * | . | | | trans | -64.5 | 120.9 | 169.2 | 25.9 | -30.3 | 0 | 0 | 0 | 109 | D90 | P88-D90 PolarHBondContact O-N 3.1Š|
| 89 | V | 32.3 | Very low | 29.2 | Very low | 29 Ų | 29 | 104.6 Ų | 104.6 | 18% | 0.176 | 54% | 0.536 | C | S | . | . | | | trans | -81.3 | 110 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | R87 K174 | R87-V89 PolarHBondContact O-N 3.02Å; V89-K174 PolarHBondContact O-NZ 3.3Å |
| 90 | D | 30.2 | Very low | 28.8 | Very low | 101 Ų | 101 | 106.7 Ų | 106.7 | 54% | 0.54 | 56% | 0.555 | S | S | . | * | | | trans | -67.9 | 130.8 | 174.6 | -151.9 | -29.8 | 0 | 0 | 0 | 109.6 | P88 K92 D93 | P88-D90 PolarHBondContact O-N 3.1Å; D90-K92 PolarHBondContact O-N 3.23Å; D90-D93 PolarHBondContact O-N 3Å |
| 91 | F | 28.8 | Very low | 28.6 | Very low | 104 Ų | 104 | 110.7 Ų | 110.7 | 46% | 0.456 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.2 | -18.3 | -172.1 | -77.4 | -86.8 | 0 | 0 | 0 | 112.9 | D93 K174 | F91-D93 VanDerWaalsContact C-N 3.33Å; F91-K174 HydrophobicContact CE1-CD 3.99Å; F91-K174 HydrophobicContact CE2-CD 3.66Å; F91-K174 HydrophobicContact CZ-CD 3.18Å |
| 92 | K | 27 | Very low | 28.1 | Very low | 163 Ų | 163 | 103.7 Ų | 103.7 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.6 | -35.4 | 174 | -81.2 | 179.1 | 173.5 | 178.6 | 0 | 112.4 | D90 I96 | D90-K92 PolarHBondContact O-N 3.23Å; K92-I96 WeakPolarHBondContact O-CD1 3.04Å; K92-I96 WeakPolarHBondContact O-CG1 3.41Å |
| 93 | D | 27.3 | Very low | 27.5 | Very low | 97 Ų | 97 | 102.4 Ų | 102.4 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -82.4 | -33 | -174.8 | -63.7 | -29.2 | 0 | 0 | 0 | 112.6 | D90 F91 L95 I96 Y97 | D90-D93 PolarHBondContact O-N 3Å; F91-D93 VanDerWaalsContact C-N 3.33Å; D93-L95 VanDerWaalsContact C-N 3.27Å; D93-L95 PolarHBondContact O-N 3.46Å; D93-I96 PolarHBondContact O-N 3.49Å; D93-Y97 PolarHBondContact O-N 3.32Å |
| 94 | A | 27.8 | Very low | 27 | Very low | 26 Ų | 26 | 101.7 Ų | 101.7 | 22% | 0.215 | 59% | 0.594 | C | S | . | * | H | α-helix | trans | -68.2 | -26.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 95 | L | 26.3 | Very low | 26.7 | Very low | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78.6 | -29 | 176.5 | -104.9 | 141.3 | 0 | 0 | 0 | 112.8 | D93 | D93-L95 VanDerWaalsContact C-N 3.27Å; D93-L95 PolarHBondContact O-N 3.46Å |
| 96 | I | 24.8 | Very low | 26.2 | Very low | 104 Ų | 104 | 106 Ų | 106 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -78.5 | -37.6 | 179.6 | -64.5 | 166.6 | 0 | 0 | 0 | 110.4 | K92 D93 Q98 H99 C100 | K92-I96 WeakPolarHBondContact O-CD1 3.04Å; K92-I96 WeakPolarHBondContact O-CG1 3.41Å; D93-I96 PolarHBondContact O-N 3.49Å; I96-Q98 VanDerWaalsContact C-N 3.29Å; I96-Q98 PolarHBondContact O-N 3.29Å; I96-H99 PolarHBondContact O-N 3.14Å; I96-C100 PolarHBondContact O-SG 3.12Å |
| 97 | Y | 23.4 | Very low | 25.8 | Very low | 154 Ų | 154 | 109.4 Ų | 109.4 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.4 | -28.2 | -180 | -116.1 | -91.4 | 0 | 0 | 0 | 114.2 | D93 H99 C100 | D93-Y97 PolarHBondContact O-N 3.32Å; Y97-H99 VanDerWaalsContact C-N 3.34Å; Y97-C100 PolarHBondContact O-N 3.38Å |
| 98 | Q | 26.8 | Very low | 25.6 | Very low | 79 Ų | 79 | 104.2 Ų | 104.2 | 37% | 0.369 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.4 | -12.4 | -178 | -146.5 | 175.4 | -0.3 | 0 | 0 | 113.5 | I96 | I96-Q98 VanDerWaalsContact C-N 3.29Å; I96-Q98 PolarHBondContact O-N 3.29Å |
| 99 | H | 24.1 | Very low | 25.1 | Very low | 172 Ų | 172 | 102.9 Ų | 102.9 | 80% | 0.796 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -2.7 | 172.2 | -98.3 | -86.8 | 0 | 0 | 0 | 113.4 | I96 Y97 | I96-H99 PolarHBondContact O-N 3.14Å; Y97-H99 VanDerWaalsContact C-N 3.34Å |
| 100 | C | 22.4 | Very low | 24.7 | Very low | 84 Ų | 84 | 106 Ų | 106 | 57% | 0.568 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -110.8 | 5.2 | -172.1 | -66.7 | 0 | 0 | 0 | 0 | 115.7 | I96 Y97 | I96-C100 PolarHBondContact O-SG 3.12Å; Y97-C100 PolarHBondContact O-N 3.38Å |
| 101 | T | 27.4 | Very low | 24.5 | Very low | 125 Ų | 125 | 107 Ų | 107 | 77% | 0.767 | 64% | 0.637 | S | S | * | * | | | trans | -106.8 | 53.8 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 102 | G | 23.3 | Very low | 24.4 | Very low | 66 Ų | 66 | 108.5 Ų | 108.5 | 68% | 0.68 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -126.2 | 116 | 154.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 103 | A | 22.7 | Very low | 24.3 | Very low | 91 Ų | 91 | 106.3 Ų | 106.3 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 82.6 | 118.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 104 | S | 22.3 | Very low | 24.2 | Very low | 106 Ų | 106 | 110.5 Ų | 110.5 | 74% | 0.741 | 67% | 0.667 | S | S | * | * | | | trans | 81 | 92.4 | 143.7 | -64.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 105 | T | 22 | Very low | 24.1 | Very low | 127 Ų | 127 | 115.2 Ų | 115.2 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | | | | 48.4 | 92.9 | 120.9 | 60.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 106 | S | 21.4 | Very low | 24.2 | Very low | 109 Ų | 109 | 115.4 Ų | 115.4 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | | | trans | -174 | 113.6 | 130.9 | -91 | 0 | 0 | 0 | 0 | 112.3 | | |
| 107 | T | 22 | Very low | 24.1 | Very low | 136 Ų | 136 | 113.6 Ų | 113.6 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 44.4 | 118.1 | 145.4 | 60.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 108 | A | 22.3 | Very low | 24.2 | Very low | 85 Ų | 85 | 117 Ų | 117 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | | | trans | 91.2 | 70.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 109 | S | 22.6 | Very low | 24.3 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | trans | -151.8 | 118.6 | 172.9 | -72 | 0 | 0 | 0 | 0 | 111.7 | V111 | S109-V111 PolarHBondContact O-N 3.32Š|
| 110 | P | 25.1 | Very low | 24.3 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | | | trans | -72.8 | 110.8 | 168.3 | 27.9 | -28.7 | 0 | 0 | 0 | 109.4 | | |
| 111 | V | 24.6 | Very low | 24.4 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -65.6 | 124 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | S109 | S109-V111 PolarHBondContact O-N 3.32Š|
| 112 | V | 26.6 | Very low | 24.4 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | -125.4 | 101.9 | 166 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 113 | C | 24.6 | Very low | 24.5 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | -69.2 | 128.2 | 179.1 | -61.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 114 | R | 26.1 | Very low | 24.6 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | trans | -91.6 | 124.9 | 170.7 | -150.7 | 174.8 | 178.7 | 136.9 | -0.5 | 108 | S116 | R114-S116 PolarHBondContact O-N 3.16Š|
| 115 | S | 24.5 | Very low | 24.6 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -71.5 | 98.1 | 173.5 | -161 | 0 | 0 | 0 | 0 | 108.5 | G117 | S115-G117 PolarHBondContact O-N 3.24Å; S115-G117 VanDerWaalsContact O-N 3.14Å |
| 116 | S | 28.8 | Very low | 24.8 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -75.7 | 95.5 | 172 | -67.2 | 0 | 0 | 0 | 0 | 108.3 | R114 R118 | R114-S116 PolarHBondContact O-N 3.16Å; S116-R118 PolarHBondContact O-N 3.28Å |
| 117 | G | 24.2 | Very low | 25 | Very low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | | | trans | -63.7 | 130.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S115 | S115-G117 PolarHBondContact O-N 3.24Å; S115-G117 VanDerWaalsContact O-N 3.14Å |
| 118 | R | 25.5 | Very low | 25.2 | Very low | 225 Ų | 225 | 129.2 Ų | 129.2 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 109.1 | 128.9 | 174 | -61.1 | 173 | -168 | -114.3 | 2.2 | 112.8 | S116 | S116-R118 PolarHBondContact O-N 3.28Š|
| 119 | Y | 27 | Very low | 25.4 | Very low | 233 Ų | 233 | 130.7 Ų | 130.7 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | | | trans | 93.7 | 92.8 | -179.9 | -55.2 | -74.2 | 0 | 0 | 0 | 115.5 | | |
| 120 | G | 24.4 | Very low | 25.4 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | trans | -72.8 | 172.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 121 | G | 26 | Very low | 25.6 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | 108.7 | 63.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L123 | G121-L123 PolarHBondContact O-N 3.28Š|
| 122 | M | 25.6 | Very low | 25.6 | Very low | 202 Ų | 202 | 131.4 Ų | 131.4 | 100% | 0.995 | 82% | 0.818 | S | S | * | * | | | trans | -73.4 | 116.1 | 162 | -70.6 | -171.8 | -171.9 | 0 | 0 | 108.8 | | |
| 123 | L | 25.5 | Very low | 25.4 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | -112.8 | 124.9 | 166.8 | -103.1 | 159.4 | 0 | 0 | 0 | 108.9 | G121 | G121-L123 PolarHBondContact O-N 3.28Š|
| 124 | A | 25.1 | Very low | 25.4 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | 63.5 | 113.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 125 | S | 23.3 | Very low | 25.3 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | | 62.6 | 154.5 | 72.1 | -73.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 126 | P | 26.5 | Very low | 25.3 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | cis | -137.7 | 159.5 | -11.5 | 25.1 | -2.6 | 0 | 0 | 0 | 113.8 | | |
| 127 | G | 25.1 | Very low | 25.3 | Very low | 61 Ų | 61 | 125.4 Ų | 125.4 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | | | trans | 123.5 | 104.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 128 | Q | 25.4 | Very low | 25.4 | Very low | 198 Ų | 198 | 127 Ų | 127 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | | | trans | 74.2 | 114.4 | 150.1 | -48.1 | 172.2 | 38.8 | 0 | 0 | 113.7 | | |
| 129 | S | 26.9 | Very low | 25.3 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | | | cis | -162 | 145.7 | 23 | 43.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 130 | S | 23.6 | Very low | 25.2 | Very low | 132 Ų | 132 | 113.4 Ų | 113.4 | 92% | 0.923 | 80% | 0.799 | S | S | * | * | | | trans | -77 | 119.5 | -173.4 | -22.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 131 | A | 27.8 | Very low | 25.1 | Very low | 100 Ų | 100 | 115 Ų | 115 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -127.5 | 132.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 132 | A | 24.3 | Very low | 25.2 | Very low | 97 Ų | 97 | 116.3 Ų | 116.3 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -56.6 | 158.2 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 133 | G | 23.1 | Very low | 25.1 | Very low | 74 Ų | 74 | 115.9 Ų | 115.9 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | -51.3 | 137.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 134 | N | 25.3 | Very low | 25.3 | Very low | 156 Ų | 156 | 115 Ų | 115 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -137.4 | 99 | 160.9 | -92.9 | -22.2 | 0 | 0 | 0 | 106.5 | C136 | N134-C136 PolarHBondContact O-N 2.82Š|
| 135 | G | 23.8 | Very low | 25.4 | Very low | 76 Ų | 76 | 114 Ų | 114 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | -53.8 | 122.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S137 | G135-S137 PolarHBondContact O-N 3.47Š|
| 136 | C | 25.1 | Very low | 25.7 | Very low | 135 Ų | 135 | 112.2 Ų | 112.2 | 91% | 0.912 | 75% | 0.75 | S | S | * | * | | | trans | -62.4 | 94.9 | 168.4 | -80.1 | 0 | 0 | 0 | 0 | 107.2 | N134 A138 | N134-C136 PolarHBondContact O-N 2.82Å; C136-A138 PolarHBondContact O-N 3.27Å |
| 137 | S | 27.6 | Very low | 25.9 | Very low | 106 Ų | 106 | 112.6 Ų | 112.6 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | -56.7 | 132.1 | 177 | -158.4 | 0 | 0 | 0 | 0 | 108.3 | G135 S139 | G135-S137 PolarHBondContact O-N 3.47Å; S137-S139 PolarHBondContact O-N 2.75Å |
| 138 | A | 27.3 | Very low | 26.1 | Very low | 99 Ų | 99 | 111.8 Ų | 111.8 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -71.3 | 67.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | C136 | C136-A138 PolarHBondContact O-N 3.27Š|
| 139 | S | 23.5 | Very low | 26.3 | Very low | 86 Ų | 86 | 107.2 Ų | 107.2 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -173.7 | 118.9 | 171.9 | -81.1 | 0 | 0 | 0 | 0 | 111.6 | S137 | S137-S139 PolarHBondContact O-N 2.75Š|
| 140 | T | 25 | Very low | 26.7 | Very low | 85 Ų | 85 | 110.3 Ų | 110.3 | 52% | 0.521 | 72% | 0.715 | S | S | . | * | | | trans | 58.3 | 99.2 | 135.7 | 63.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 141 | S | 22.4 | Very low | 27.1 | Very low | 118 Ų | 118 | 108.1 Ų | 108.1 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | | | trans | -164 | 77.1 | 136.9 | 44.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 142 | L | 26.5 | Very low | 27.3 | Very low | 107 Ų | 107 | 106.4 Ų | 106.4 | 56% | 0.56 | 70% | 0.696 | S | S | * | * | B | Isolated β-bridge | trans | -84.7 | 120.6 | 158.4 | -79.5 | 163.5 | 0 | 0 | 0 | 107.5 | N144 F146 | L142-N144 PolarHBondContact O-N 3.21Å; L142-F146 HydrophobicContact CB-CB 3.9Å; L142-F146 HydrophobicContact CD1-CB 4.45Å |
| 143 | F | 25.1 | Very low | 27.5 | Very low | 192 Ų | 192 | 110.2 Ų | 110.2 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -36.4 | 132.2 | 172.4 | -83.2 | -100.5 | 0 | 0 | 0 | 111.8 | | |
| 144 | N | 29 | Very low | 27.9 | Very low | 152 Ų | 152 | 112.7 Ų | 112.7 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.4 | 60 | 178 | -75.2 | 8.9 | 0 | 0 | 0 | 116.8 | L142 F146 | L142-N144 PolarHBondContact O-N 3.21Å; N144-F146 VanDerWaalsContact C-N 3.34Å; N144-F146 WeakPolarHBondContact O-CD2 3.38Å; N144-F146 WeakPolarHBondContact O-CE2 3.33Å; N144-F146 PolarHBondContact O-N 3.31Å |
| 145 | G | 27.8 | Very low | 28.4 | Very low | 65 Ų | 65 | 110.5 Ų | 110.5 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74 | 17.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 146 | F | 28.8 | Very low | 28.8 | Very low | 76 Ų | 76 | 112.6 Ų | 112.6 | 33% | 0.333 | 68% | 0.684 | S | S | . | * | B | Isolated β-bridge | trans | -91.3 | 115.2 | 174.8 | -71.9 | -88 | 0 | 0 | 0 | 110.5 | L142 N144 M161 | L142-F146 HydrophobicContact CB-CB 3.9Å; L142-F146 HydrophobicContact CD1-CB 4.45Å; N144-F146 VanDerWaalsContact C-N 3.34Å; N144-F146 WeakPolarHBondContact O-CD2 3.38Å; N144-F146 WeakPolarHBondContact O-CE2 3.33Å; N144-F146 PolarHBondContact O-N 3.31Å; F146-M161 HydrophobicContact CE1-CG 3.83Å; F146-M161 HydrophobicContact CE1-SD 4.05Å; F146-M161 HydrophobicContact CZ-CG 4.46Å; F146-M161 HydrophobicContact CZ-SD 4.44Å |
| 147 | H | 29.9 | Very low | 29.3 | Very low | 133 Ų | 133 | 110.5 Ų | 110.5 | 62% | 0.616 | 67% | 0.667 | S | S | * | * | | | trans | -105.6 | 105.4 | 170.8 | -68.5 | -98.9 | 0 | 0 | 0 | 108.6 | | |
| 148 | S | 30.7 | Very low | 29.6 | Very low | 44 Ų | 44 | 109.4 Ų | 109.4 | 31% | 0.308 | 66% | 0.659 | S | S | . | * | | | trans | -97.2 | 119.1 | 166.5 | 58.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 149 | S | 29 | Very low | 30.2 | Very low | 102 Ų | 102 | 110.1 Ų | 110.1 | 71% | 0.713 | 65% | 0.648 | S | S | * | * | | | trans | -100.1 | 121.6 | 166.1 | -65.7 | 0 | 0 | 0 | 0 | 108.2 | A151 | S149-A151 PolarHBondContact O-N 3.49Š|
| 150 | F | 34.3 | Very low | 30.8 | Very low | 182 Ų | 182 | 114.3 Ų | 114.3 | 80% | 0.798 | 65% | 0.651 | S | S | * | * | | | trans | -84.7 | 93.5 | 171.1 | -65.7 | -84.7 | 0 | 0 | 0 | 107.4 | | |
| 151 | A | 32.6 | Very low | 31.5 | Very low | 86 Ų | 86 | 113.7 Ų | 113.7 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | | | trans | -83.4 | 142.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | S149 | S149-A151 PolarHBondContact O-N 3.49Š|
| 152 | G | 31.4 | Very low | 32.4 | Very low | 63 Ų | 63 | 119.3 Ų | 119.3 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -58.1 | 157.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | D154 | G152-D154 PolarHBondContact O-N 3.39Š|
| 153 | D | 29.8 | Very low | 33.1 | Very low | 177 Ų | 177 | 117.5 Ų | 117.5 | 95% | 0.947 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 41.7 | -3.9 | 163.2 | -76.4 | -28.6 | 0 | 0 | 0 | 122 | | |
| 154 | D | 31.3 | Very low | 33.8 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 67% | 0.674 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -105.4 | 128.5 | 172.6 | -71.5 | -46.9 | 0 | 0 | 0 | 110.1 | G152 L156 | G152-D154 PolarHBondContact O-N 3.39Å; D154-L156 PolarHBondContact O-N 3.45Å |
| 155 | T | 34.7 | Very low | 34.4 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 68% | 0.681 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -63.2 | 33.7 | -175.7 | 36.2 | 0 | 0 | 0 | 0 | 115 | | |
| 156 | L | 32.6 | Very low | 35.1 | Very low | 119 Ų | 119 | 113.8 Ų | 113.8 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | | | trans | -119.6 | 126.2 | -172.9 | -60.9 | 177.3 | 0 | 0 | 0 | 110 | D154 | D154-L156 PolarHBondContact O-N 3.45Š|
| 157 | V | 35.5 | Very low | 35.7 | Very low | 91 Ų | 91 | 112.5 Ų | 112.5 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | | | trans | -106.5 | 117.4 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | I159 | V157-I159 HydrophobicContact CG1-CD1 4.41Å; V157-I159 HydrophobicContact CG1-CG1 3.85Å |
| 158 | S | 35.5 | Very low | 36.3 | Very low | 84 Ų | 84 | 112.9 Ų | 112.9 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | | | trans | -77.7 | 123.5 | 168.6 | -170 | 0 | 0 | 0 | 0 | 109.1 | | |
| 159 | I | 38.5 | Very low | 37 | Very low | 114 Ų | 114 | 115.7 Ų | 115.7 | 59% | 0.585 | 63% | 0.631 | S | S | * | * | | | trans | -119.8 | 124.7 | 178.6 | -54.6 | 175.7 | 0 | 0 | 0 | 108.3 | V157 M161 | V157-I159 HydrophobicContact CG1-CD1 4.41Å; V157-I159 HydrophobicContact CG1-CG1 3.85Å; I159-M161 HydrophobicContact CG2-CG 3.84Å; I159-M161 HydrophobicContact CG2-SD 4.31Å |
| 160 | R | 36.8 | Very low | 37.8 | Very low | 173 Ų | 173 | 114.4 Ų | 114.4 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | | | trans | -108.1 | 128 | 172.1 | -66.4 | 179.4 | 175.1 | -140.4 | -16.5 | 109 | E4 | E4-R160 IonicContact OE1-CZ 2.79Å; E4-R160 IonicContact OE1-NH1 3.53Å; E4-R160 IonicContact OE1-NH2 3.86Å; E4-R160 PolarHBondContact OE1-NH2 2.94Å |
| 161 | M | 39.8 | Very low | 38.2 | Very low | 73 Ų | 73 | 110.5 Ų | 110.5 | 36% | 0.36 | 62% | 0.617 | S | S | . | * | | | trans | -134.4 | 142.9 | 177.8 | -59.4 | -164 | -58.3 | 0 | 0 | 111.1 | F146 I159 F169 F171 | F146-M161 HydrophobicContact CE1-CG 3.83Å; F146-M161 HydrophobicContact CE1-SD 4.05Å; F146-M161 HydrophobicContact CZ-CG 4.46Å; F146-M161 HydrophobicContact CZ-SD 4.44Å; I159-M161 HydrophobicContact CG2-CG 3.84Å; I159-M161 HydrophobicContact CG2-SD 4.31Å; M161-F169 HydrophobicContact CB-CD1 3.91Å; M161-F169 HydrophobicContact CB-CE1 4.13Å; M161-F169 HydrophobicContact CE-CB 3.81Å; M161-F169 HydrophobicContact CE-CD1 3.69Å; M161-F169 HydrophobicContact CE-CG 4.01Å; M161-F171 HydrophobicContact CE-CD1 3.86Å; M161-F171 HydrophobicContact CE-CE1 3.61Å |
| 162 | R | 40.5 | Very low | 38.6 | Very low | 236 Ų | 236 | 111.9 Ų | 111.9 | 89% | 0.891 | 61% | 0.612 | S | S | * | * | | | trans | -94.1 | 135.7 | 165.1 | -71.7 | -174 | 178.8 | 176.1 | 0.8 | 108.8 | | |
| 163 | P | 40.9 | Very low | 39 | Very low | 68 Ų | 68 | 113.8 Ų | 113.8 | 44% | 0.442 | 61% | 0.611 | S | S | . | * | | | trans | -65.4 | 156.7 | 172.8 | 28.7 | -33.8 | 0 | 0 | 0 | 110.8 | R168 F169 | P163-R168 WeakPolarHBondContact CA-O 3.28Å; P163-F169 HydrophobicContact CB-CE1 4.21Å; P163-F169 HydrophobicContact CB-CZ 4.34Å |
| 164 | D | 40.4 | Very low | 39.4 | Very low | 62 Ų | 62 | 109.2 Ų | 109.2 | 33% | 0.332 | 58% | 0.583 | S | S | . | * | | | trans | -66.3 | 177.1 | 169.7 | 75.5 | 4.8 | 0 | 0 | 0 | 111.7 | Q166 G167 R168 | D164-Q166 PolarHBondContact O-N 3.35Å; D164-Q166 VanDerWaalsContact OD1-C 3.24Å; D164-Q166 VanDerWaalsContact OD1-CA 3.28Å; D164-Q166 WeakPolarHBondContact OD1-CA 3.36Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.4Å; D164-Q166 PolarHBondContact OD1-N 3.33Å; D164-G167 PolarHBondContact O-N 3.42Å; D164-G167 PolarHBondContact OD1-N 2.84Å; D164-R168 PolarHBondContact N-O 3.06Å; D164-R168 WeakPolarHBondContact OD1-CB 3.36Å; D164-R168 PolarHBondContact OD1-N 3.41Å; D164-R168 IonicContact OD1-NE 3.85Å; D164-R168 IonicContact OD2-CZ 3.34Å; D164-R168 IonicContact OD2-NE 2.87Å; D164-R168 PolarHBondContact OD2-NE 3.1Å; D164-R168 IonicContact OD2-NH2 2.91Å; D164-R168 PolarHBondContact OD2-NH2 3.16Å |
| 165 | S | 41.4 | Very low | 39.3 | Very low | 131 Ų | 131 | 107 Ų | 107 | 92% | 0.916 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -10.6 | 178.3 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 166 | Q | 43.4 | Very low | 38.9 | Very low | 138 Ų | 138 | 106.9 Ų | 106.9 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 8.1 | 175.4 | -55.9 | -148.9 | -71.2 | 0 | 0 | 112.8 | D164 R168 | D164-Q166 PolarHBondContact O-N 3.35Å; D164-Q166 VanDerWaalsContact OD1-C 3.24Å; D164-Q166 VanDerWaalsContact OD1-CA 3.28Å; D164-Q166 WeakPolarHBondContact OD1-CA 3.36Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.4Å; D164-Q166 PolarHBondContact OD1-N 3.33Å; Q166-R168 HydrophobicContact CB-CG 4.36Å; Q166-R168 VanDerWaalsContact OE1-CZ 3.29Å |
| 167 | G | 41.4 | Very low | 38.6 | Very low | 50 Ų | 50 | 109.3 Ų | 109.3 | 52% | 0.515 | 58% | 0.575 | S | S | . | * | S | Bend | trans | 82 | 10.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D164 | D164-G167 PolarHBondContact O-N 3.42Å; D164-G167 PolarHBondContact OD1-N 2.84Å |
| 168 | R | 42.9 | Very low | 38.1 | Very low | 140 Ų | 140 | 108 Ų | 108 | 53% | 0.528 | 57% | 0.574 | S | S | . | * | | | trans | -97.3 | 146.8 | -174.5 | -53 | 177.8 | -62.2 | -158.4 | -5.1 | 112 | P163 D164 Q166 | P163-R168 WeakPolarHBondContact CA-O 3.28Å; D164-R168 PolarHBondContact N-O 3.06Å; D164-R168 WeakPolarHBondContact OD1-CB 3.36Å; D164-R168 PolarHBondContact OD1-N 3.41Å; D164-R168 IonicContact OD1-NE 3.85Å; D164-R168 IonicContact OD2-CZ 3.34Å; D164-R168 IonicContact OD2-NE 2.87Å; D164-R168 PolarHBondContact OD2-NE 3.1Å; D164-R168 IonicContact OD2-NH2 2.91Å; D164-R168 PolarHBondContact OD2-NH2 3.16Å; Q166-R168 HydrophobicContact CB-CG 4.36Å; Q166-R168 VanDerWaalsContact OE1-CZ 3.29Å |
| 169 | F | 45.3 | Very low | 37.6 | Very low | 104 Ų | 104 | 112.2 Ų | 112.2 | 46% | 0.456 | 59% | 0.586 | S | S | . | * | | | trans | -97.5 | -15.6 | 173.8 | -66.9 | -74.2 | 0 | 0 | 0 | 114.2 | M161 P163 F171 | M161-F169 HydrophobicContact CB-CD1 3.91Å; M161-F169 HydrophobicContact CB-CE1 4.13Å; M161-F169 HydrophobicContact CE-CB 3.81Å; M161-F169 HydrophobicContact CE-CD1 3.69Å; M161-F169 HydrophobicContact CE-CG 4.01Å; P163-F169 HydrophobicContact CB-CE1 4.21Å; P163-F169 HydrophobicContact CB-CZ 4.34Å; F169-F171 HydrophobicContact CB-CD1 3.6Å; F169-F171 HydrophobicContact CB-CE1 3.35Å; F169-F171 HydrophobicContact CB-CZ 4.48Å; F169-F171 HydrophobicContact CD2-CE1 4.47Å; F169-F171 HydrophobicContact CG-CE1 4.06Å |
| 170 | G | 44.5 | Very low | 37.1 | Very low | 74 Ų | 74 | 110.7 Ų | 110.7 | 76% | 0.763 | 58% | 0.579 | S | S | * | * | | | trans | 76.1 | 28.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 171 | F | 42.9 | Very low | 36.4 | Very low | 100 Ų | 100 | 107.8 Ų | 107.8 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | | | trans | -125.5 | 148.8 | 171.3 | 64.8 | -92 | 0 | 0 | 0 | 111.2 | M161 F169 V173 | M161-F171 HydrophobicContact CE-CD1 3.86Å; M161-F171 HydrophobicContact CE-CE1 3.61Å; F169-F171 HydrophobicContact CB-CD1 3.6Å; F169-F171 HydrophobicContact CB-CE1 3.35Å; F169-F171 HydrophobicContact CB-CZ 4.48Å; F169-F171 HydrophobicContact CD2-CE1 4.47Å; F169-F171 HydrophobicContact CG-CE1 4.06Å; F171-V173 HydrophobicContact CD2-CG1 4.05Å; F171-V173 HydrophobicContact CE2-CG1 3.83Å |
| 172 | N | 40.5 | Very low | 35.7 | Very low | 116 Ų | 116 | 114 Ų | 114 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | | | trans | -101.9 | 142.9 | 170.1 | -72 | -20.7 | 0 | 0 | 0 | 110.2 | Q80 | Q80-N172 VanDerWaalsContact NE2-CB 3.34Å; Q80-N172 PolarHBondContact NE2-ND2 2.95Å |
| 173 | V | 41.5 | Very low | 35 | Very low | 102 Ų | 102 | 114.4 Ų | 114.4 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | | | trans | -100.3 | 130.6 | 168.8 | -65 | 0 | 0 | 0 | 0 | 108.6 | F171 | F171-V173 HydrophobicContact CD2-CG1 4.05Å; F171-V173 HydrophobicContact CE2-CG1 3.83Å |
| 174 | K | 36.4 | Very low | 34.2 | Very low | 82 Ų | 82 | 119.9 Ų | 119.9 | 36% | 0.357 | 65% | 0.65 | S | S | . | * | | | trans | -90.2 | 113 | 172.9 | -74.5 | -166 | 176 | -179.1 | 0 | 108.6 | Y53 V89 F91 | Y53-K174 WeakPolarHBondContact CE1-O 3.22Å; Y53-K174 PolarHBondContact OH-O 2.92Å; V89-K174 PolarHBondContact O-NZ 3.3Å; F91-K174 HydrophobicContact CE1-CD 3.99Å; F91-K174 HydrophobicContact CE2-CD 3.66Å; F91-K174 HydrophobicContact CZ-CD 3.18Å |
| 175 | V | 29.6 | Very low | 33.9 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 48% | 0.479 | 67% | 0.666 | S | S | . | * | | | trans | -76.8 | 119 | 171.6 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | V51 Y53 | V51-V175 HydrophobicContact CG1-CB 4.2Å; V51-V175 HydrophobicContact CG1-CG1 3.49Å; V51-V175 VanDerWaalsContact CG1-CG1 3.49Å; V51-V175 HydrophobicContact CG1-CG2 3.98Å; V51-V175 HydrophobicContact CG2-CG1 4.21Å; V51-V175 HydrophobicContact CG2-CG2 3.88Å; Y53-V175 VanDerWaalsContact OH-CA 3.28Å; Y53-V175 WeakPolarHBondContact OH-CA 3.28Å; Y53-V175 PolarHBondContact OH-N 2.77Å |
| 176 | I | 27.1 | Very low | 33.5 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 56% | 0.559 | 65% | 0.653 | S | S | * | * | | | trans | -103.9 | 107 | 174.2 | -58 | 176.6 | 0 | 0 | 0 | 107 | A178 | I176-A178 PolarHBondContact O-N 3.38Š|
| 177 | H | 25 | Very low | 33 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 79% | 0.787 | 65% | 0.653 | S | S | * | * | | | trans | -80.6 | 105.9 | 173 | -131.1 | -141.9 | 0 | 0 | 0 | 108.5 | | |
| 178 | A | 26.7 | Very low | 32.5 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 53% | 0.529 | 66% | 0.661 | S | S | . | * | | | trans | -99 | 101.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | I176 I180 | I176-A178 PolarHBondContact O-N 3.38Å; A178-I180 PolarHBondContact O-N 2.89Å |
| 179 | M | 24 | Very low | 31.8 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 84% | 0.842 | 67% | 0.67 | S | S | * | * | | | trans | -70.8 | 112.8 | 164.1 | -80.6 | -175.2 | -173.3 | 0 | 0 | 108.6 | | |
| 180 | I | 27.6 | Very low | 30.9 | Very low | 82 Ų | 82 | 126.1 Ų | 126.1 | 42% | 0.421 | 68% | 0.684 | S | S | . | * | | | trans | -91.3 | 105.2 | 166.9 | -64.5 | 172.3 | 0 | 0 | 0 | 107.4 | A178 K182 | A178-I180 PolarHBondContact O-N 2.89Å; I180-K182 PolarHBondContact O-N 3.05Å |
| 181 | C | 23.4 | Very low | 30 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 76% | 0.757 | 68% | 0.678 | S | S | * | * | | | trans | -65 | 118.6 | 165.2 | -63.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 182 | K | 24.5 | Very low | 29 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 89% | 0.887 | 70% | 0.697 | S | S | * | * | | | trans | -80.4 | 114.9 | 166.7 | -168 | 175.5 | -177.6 | 176.7 | 0 | 107.5 | I180 | I180-K182 PolarHBondContact O-N 3.05Š|
| 183 | W | 25.3 | Very low | 28 | Very low | 245 Ų | 245 | 133.5 Ų | 133.5 | 93% | 0.928 | 70% | 0.703 | S | S | * | * | | | trans | -79.9 | 141.5 | 164.6 | -107.2 | 56.6 | 0 | 0 | 0 | 108.9 | | |
| 184 | S | 25.5 | Very low | 26.8 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 100% | 1.273 | 71% | 0.711 | S | S | * | * | | | trans | -66.9 | 0 | -176.5 | -170.7 | 0 | 0 | 0 | 0 | 113.5 | | |