| 1 | M | 36.8 | Very low | 36.6 | Very low | 238 Ų | 238 | 121.7 Ų | 121.7 | 100% | 1.172 | 71% | 0.705 | S | S | * | * | | | | 0 | 53.6 | 0 | -68.2 | -179.3 | 173.1 | 0 | 0 | 110.9 | | |
| 2 | S | 43.6 | Very low | 36.3 | Very low | 100 Ų | 100 | 116.9 Ų | 116.9 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | | | trans | -136.7 | -2.9 | -171.5 | 35.1 | 0 | 0 | 0 | 0 | 114.7 | F4 | S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 3.39Å |
| 3 | T | 44.9 | Very low | 36 | Very low | 114 Ų | 114 | 113.5 Ų | 113.5 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -15.7 | 177.1 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 4 | F | 38.6 | Very low | 35.8 | Very low | 178 Ų | 178 | 110.7 Ų | 110.7 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -19.2 | -176.2 | -75.8 | -79.5 | 0 | 0 | 0 | 115 | S2 | S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 3.39Å |
| 5 | Y | 36.1 | Very low | 35.5 | Very low | 198 Ų | 198 | 107.7 Ų | 107.7 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -83.2 | -19.7 | -176.8 | -85.2 | -78.3 | 0 | 0 | 0 | 114.7 | | |
| 6 | Q | 33.5 | Very low | 35.2 | Very low | 165 Ų | 165 | 104.9 Ų | 104.9 | 77% | 0.771 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.5 | -27.8 | 177.9 | -105.8 | 171.8 | -14.3 | 0 | 0 | 113 | A8 | Q6-A8 VanDerWaalsContact C-N 3.35Å; Q6-A8 PolarHBondContact O-N 3.07Å |
| 7 | A | 34 | Very low | 35.2 | Very low | 71 Ų | 71 | 103.4 Ų | 103.4 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.1 | -31.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 8 | A | 34.9 | Very low | 35 | Very low | 65 Ų | 65 | 102.2 Ų | 102.2 | 54% | 0.537 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -71.2 | -34.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q6 A11 A12 | Q6-A8 VanDerWaalsContact C-N 3.35Å; Q6-A8 PolarHBondContact O-N 3.07Å; A8-A11 PolarHBondContact O-N 3.1Å; A8-A12 PolarHBondContact O-N 3.07Å |
| 9 | A | 34.2 | Very low | 34.7 | Very low | 70 Ų | 70 | 101.4 Ų | 101.4 | 58% | 0.579 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.5 | -33.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 10 | A | 33.5 | Very low | 34.3 | Very low | 71 Ų | 71 | 103.5 Ų | 103.5 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.7 | -32.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 11 | A | 32.3 | Very low | 34.2 | Very low | 69 Ų | 69 | 104.8 Ų | 104.8 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.9 | -31.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A8 A15 | A8-A11 PolarHBondContact O-N 3.1Å; A11-A15 PolarHBondContact O-N 2.79Å |
| 12 | A | 32.7 | Very low | 33.9 | Very low | 64 Ų | 64 | 98.7 Ų | 98.7 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.1 | -31.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A8 A15 A16 | A8-A12 PolarHBondContact O-N 3.07Å; A12-A15 PolarHBondContact O-N 3.1Å; A12-A16 PolarHBondContact O-N 2.97Å |
| 13 | A | 33.2 | Very low | 33.3 | Very low | 72 Ų | 72 | 104 Ų | 104 | 60% | 0.595 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.1 | -31.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 14 | A | 33.1 | Very low | 32.5 | Very low | 75 Ų | 75 | 107.7 Ų | 107.7 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.2 | -30.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 15 | A | 31 | Very low | 31.9 | Very low | 66 Ų | 66 | 104.4 Ų | 104.4 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -74.3 | -29.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A11 A12 A18 | A11-A15 PolarHBondContact O-N 2.79Å; A12-A15 PolarHBondContact O-N 3.1Å; A15-A18 PolarHBondContact O-N 3.1Å |
| 16 | A | 31.5 | Very low | 31.7 | Very low | 63 Ų | 63 | 100.3 Ų | 100.3 | 52% | 0.521 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -75.8 | -24.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A12 A18 | A12-A16 PolarHBondContact O-N 2.97Å; A16-A18 VanDerWaalsContact C-N 3.32Å |
| 17 | A | 34.2 | Very low | 31.6 | Very low | 79 Ų | 79 | 101 Ų | 101 | 65% | 0.653 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.9 | -21.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 18 | A | 31 | Very low | 31.3 | Very low | 82 Ų | 82 | 105.6 Ų | 105.6 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.5 | -20.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A15 A16 | A15-A18 PolarHBondContact O-N 3.1Å; A16-A18 VanDerWaalsContact C-N 3.32Å |
| 19 | S | 29.3 | Very low | 31 | Very low | 86 Ų | 86 | 107 Ų | 107 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 8.7 | -172.5 | 69.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 20 | H | 28.4 | Very low | 30.6 | Very low | 143 Ų | 143 | 108.9 Ų | 108.9 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 13.1 | -177.7 | -95.5 | -105.5 | 0 | 0 | 0 | 114.9 | | |
| 21 | N | 32 | Very low | 30.3 | Very low | 132 Ų | 132 | 110.9 Ų | 110.9 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -113.7 | 42.8 | -174.5 | -158.2 | 20.9 | 0 | 0 | 0 | 114.8 | | |
| 22 | S | 29.7 | Very low | 30 | Very low | 110 Ų | 110 | 114 Ų | 114 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | | | trans | -138.2 | 18.2 | 176.6 | 54.1 | 0 | 0 | 0 | 0 | 115 | | |
| 23 | Y | 31.6 | Very low | 29.8 | Very low | 211 Ų | 211 | 118.5 Ų | 118.5 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -108.2 | 11.4 | -177.2 | -129.6 | -90.7 | 0 | 0 | 0 | 116.2 | | |
| 24 | F | 27.3 | Very low | 29.4 | Very low | 192 Ų | 192 | 118 Ų | 118 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -129.4 | 112.4 | 169.5 | -69.8 | -74.8 | 0 | 0 | 0 | 110.6 | | |
| 25 | P | 26.4 | Very low | 29 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | | | trans | -63.1 | 140.5 | 170.9 | 25.5 | -31 | 0 | 0 | 0 | 109.9 | E27 | P25-E27 PolarHBondContact O-N 3.28Š|
| 26 | S | 32.4 | Very low | 28.8 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -67.6 | 8.6 | -171.5 | -47.6 | 0 | 0 | 0 | 0 | 115.7 | L28 | S26-L28 PolarHBondContact O-N 3.32Š|
| 27 | E | 30.1 | Very low | 28.3 | Very low | 180 Ų | 180 | 123.4 Ų | 123.4 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -88.5 | 0.6 | -167.5 | -67.5 | -84.2 | 138.5 | 0 | 0 | 114.2 | P25 | P25-E27 PolarHBondContact O-N 3.28Š|
| 28 | L | 27.6 | Very low | 27.8 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -100.3 | 6.4 | 174.1 | -74.7 | 166.3 | 0 | 0 | 0 | 114.1 | S26 S30 | S26-L28 PolarHBondContact O-N 3.32Å; L28-S30 PolarHBondContact O-N 3.26Å |
| 29 | S | 29.6 | Very low | 27.4 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | trans | -80.9 | 66.8 | 164.6 | -161.6 | 0 | 0 | 0 | 0 | 109.9 | T31 | S29-T31 PolarHBondContact O-N 2.89Å; S29-T31 PolarHBondContact OG-OG1 3.1Å |
| 30 | S | 25 | Very low | 27.2 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -74 | 64.4 | 164.7 | 65.6 | 0 | 0 | 0 | 0 | 109.1 | L28 V32 | L28-S30 PolarHBondContact O-N 3.26Å; S30-V32 PolarHBondContact O-N 3.14Å |
| 31 | T | 27.6 | Very low | 27.1 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | | | trans | -88.8 | 95.2 | 167.8 | -43.5 | 0 | 0 | 0 | 0 | 106.8 | S29 N33 | S29-T31 PolarHBondContact O-N 2.89Å; S29-T31 PolarHBondContact OG-OG1 3.1Å; T31-N33 PolarHBondContact O-N 3.1Å |
| 32 | V | 26.7 | Very low | 26.9 | Very low | 135 Ų | 135 | 123.6 Ų | 123.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -7.4 | 94.8 | 159.8 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | S30 G34 | S30-V32 PolarHBondContact O-N 3.14Å; V32-G34 PolarHBondContact O-N 3.04Å |
| 33 | N | 27.3 | Very low | 26.7 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -69.8 | 98.7 | 173.7 | -146.7 | -5.2 | 0 | 0 | 0 | 106.4 | T31 A35 | T31-N33 PolarHBondContact O-N 3.1Å; N33-A35 PolarHBondContact O-N 3.31Å |
| 34 | G | 25.1 | Very low | 26.5 | Very low | 60 Ų | 60 | 118.1 Ų | 118.1 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | | | trans | -56.9 | 102.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | V32 T36 | V32-G34 PolarHBondContact O-N 3.04Å; G34-T36 PolarHBondContact O-N 3.25Å |
| 35 | A | 24.3 | Very low | 26.4 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -64.1 | 95.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | N33 | N33-A35 PolarHBondContact O-N 3.31Š|
| 36 | T | 27 | Very low | 26.4 | Very low | 136 Ų | 136 | 117.4 Ų | 117.4 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | trans | -134.9 | 94 | 156.4 | -48.2 | 0 | 0 | 0 | 0 | 107.7 | G34 | G34-T36 PolarHBondContact O-N 3.25Š|
| 37 | G | 22.6 | Very low | 26.1 | Very low | 81 Ų | 81 | 118.4 Ų | 118.4 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -60.8 | 143.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 38 | G | 23.5 | Very low | 25.8 | Very low | 74 Ų | 74 | 119.7 Ų | 119.7 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | -162.9 | 77.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108 | G40 | G38-G40 PolarHBondContact O-N 3.16Š|
| 39 | G | 22.3 | Very low | 25.8 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 93% | 0.928 | 77% | 0.769 | S | S | * | * | | | trans | -58.2 | 125.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 40 | G | 24.4 | Very low | 25.6 | Very low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | trans | -143 | 79.7 | 175 | 0 | 0 | 0 | 0 | 0 | 108.5 | G38 V42 | G38-G40 PolarHBondContact O-N 3.16Å; G40-V42 PolarHBondContact O-N 3.05Å |
| 41 | V | 26.6 | Very low | 25.6 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | -49.4 | 115.8 | 163.4 | -88 | 0 | 0 | 0 | 0 | 109.5 | | |
| 42 | V | 27.4 | Very low | 25.7 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | | | trans | -107.2 | 98.7 | 159.2 | -151.7 | 0 | 0 | 0 | 0 | 107.1 | G40 | G40-V42 PolarHBondContact O-N 3.05Š|
| 43 | S | 25.6 | Very low | 25.7 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -55.6 | 127.4 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 113 | | |
| 44 | S | 28 | Very low | 25.5 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | | 12.9 | 110.6 | 124.4 | -80.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 45 | Q | 24.9 | Very low | 25.4 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | 178.5 | 123.9 | 153 | -100.7 | 174.9 | -16.7 | 0 | 0 | 103.5 | | |
| 46 | D | 25.7 | Very low | 25.3 | Very low | 111 Ų | 111 | 130 Ų | 130 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | | | cis | -166.2 | 143.4 | 28.2 | -101.8 | -50.4 | 0 | 0 | 0 | 109.6 | | |
| 47 | Q | 26.5 | Very low | 25.2 | Very low | 133 Ų | 133 | 129 Ų | 129 | 62% | 0.621 | 77% | 0.768 | S | S | * | * | | | trans | 73 | 97.5 | 132.1 | -62.4 | 165 | 17.2 | 0 | 0 | 121 | H49 | Q47-H49 PolarHBondContact O-N 3.16Å; Q47-H49 PolarHBondContact O-ND1 3.13Å; Q47-H49 VanDerWaalsContact O-ND1 3.12Å |
| 48 | Y | 25 | Very low | 25.3 | Very low | 207 Ų | 207 | 131 Ų | 131 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | | 17.6 | 89.2 | 122.3 | -69.5 | -88.1 | 0 | 0 | 0 | 115.9 | | |
| 49 | H | 26.7 | Very low | 25.2 | Very low | 171 Ų | 171 | 132 Ų | 132 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | | | trans | -125.1 | 97.6 | 155.2 | -76.9 | 79.6 | 0 | 0 | 0 | 108 | Q47 G51 | Q47-H49 PolarHBondContact O-N 3.16Å; Q47-H49 PolarHBondContact O-ND1 3.13Å; Q47-H49 VanDerWaalsContact O-ND1 3.12Å; H49-G51 PolarHBondContact O-N 3.02Å |
| 50 | H | 25.9 | Very low | 25.4 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | | | trans | -59 | 130.7 | 171.1 | -74.1 | -68.1 | 0 | 0 | 0 | 110.5 | | |
| 51 | G | 24.9 | Very low | 25.4 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 76.5 | 71.6 | 146 | 0 | 0 | 0 | 0 | 0 | 117 | H49 | H49-G51 PolarHBondContact O-N 3.02Š|
| 52 | A | 29.5 | Very low | 25.3 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | | | trans | -164.3 | 116.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 108 | H54 | A52-H54 PolarHBondContact O-N 3.37Š|
| 53 | H | 26.3 | Very low | 25.1 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | | | trans | -62.3 | 80.1 | 177.7 | -66.3 | -97 | 0 | 0 | 0 | 110.8 | | |
| 54 | H | 23.9 | Very low | 25.1 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 68% | 0.676 | 75% | 0.746 | S | S | * | * | | | trans | -93.3 | 103.1 | 164.3 | -77.5 | -73.9 | 0 | 0 | 0 | 107.8 | A52 H56 | A52-H54 PolarHBondContact O-N 3.37Å; H54-H56 PolarHBondContact O-N 3.42Å |
| 55 | H | 23.5 | Very low | 24.8 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | | | trans | -60.8 | 84.3 | 167.8 | -72.4 | -105 | 0 | 0 | 0 | 108.7 | S57 | H55-S57 PolarHBondContact O-N 3.15Å; H55-S57 VanDerWaalsContact O-N 3.13Å |
| 56 | H | 21.2 | Very low | 24.7 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 73% | 0.731 | 74% | 0.74 | S | S | * | * | | | trans | -74.7 | 98.3 | 162.6 | -80.5 | -83.5 | 0 | 0 | 0 | 107 | H54 V58 | H54-H56 PolarHBondContact O-N 3.42Å; H56-V58 HydrophobicContact CB-CG2 4.45Å; H56-V58 PolarHBondContact O-N 3.42Å |
| 57 | S | 24.5 | Very low | 24.7 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -61.4 | 89.7 | 159.9 | -62.7 | 0 | 0 | 0 | 0 | 107.6 | H55 A59 | H55-S57 PolarHBondContact O-N 3.15Å; H55-S57 VanDerWaalsContact O-N 3.13Å; S57-A59 PolarHBondContact O-N 2.93Å |
| 58 | V | 24.3 | Very low | 24.5 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | trans | -70 | 97 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | H56 S60 | H56-V58 HydrophobicContact CB-CG2 4.45Å; H56-V58 PolarHBondContact O-N 3.42Å; V58-S60 PolarHBondContact O-N 3.08Å |
| 59 | A | 22.9 | Very low | 24.4 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | -67.1 | 87.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | S57 S61 | S57-A59 PolarHBondContact O-N 2.93Å; A59-S61 PolarHBondContact O-N 3.43Å |
| 60 | S | 25 | Very low | 24.3 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | trans | -67.9 | 95.5 | 173.8 | 58.2 | 0 | 0 | 0 | 0 | 108.7 | V58 I62 | V58-S60 PolarHBondContact O-N 3.08Å; S60-I62 PolarHBondContact O-N 2.87Å |
| 61 | S | 24.7 | Very low | 24.2 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -66.5 | 93.2 | 166.4 | 49 | 0 | 0 | 0 | 0 | 108.7 | A59 P63 | A59-S61 PolarHBondContact O-N 3.43Å; S61-P63 VanDerWaalsContact O-CD 3.29Å; S61-P63 WeakPolarHBondContact O-CD 3.41Å |
| 62 | I | 25.6 | Very low | 24.1 | Very low | 141 Ų | 141 | 125.2 Ų | 125.2 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | | | trans | -70.2 | 116.5 | 166.4 | -58.3 | 175.5 | 0 | 0 | 0 | 106.2 | S60 N64 | S60-I62 PolarHBondContact O-N 2.87Å; I62-N64 PolarHBondContact O-N 3.49Å |
| 63 | P | 22.9 | Very low | 23.9 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | trans | -66.4 | 119.3 | 179.4 | 24.7 | -30.5 | 0 | 0 | 0 | 109.7 | S61 V65 | S61-P63 VanDerWaalsContact O-CD 3.29Å; S61-P63 WeakPolarHBondContact O-CD 3.41Å; P63-V65 PolarHBondContact O-N 3.36Å |
| 64 | N | 25 | Very low | 23.9 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | | | trans | -55.4 | 96.3 | 170.6 | -90.6 | 20.9 | 0 | 0 | 0 | 110.2 | I62 A66 | I62-N64 PolarHBondContact O-N 3.49Å; N64-A66 PolarHBondContact O-N 3.05Å |
| 65 | V | 22.3 | Very low | 24 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | -78.4 | 109.8 | 162.1 | 178.6 | 0 | 0 | 0 | 0 | 106.9 | P63 V67 | P63-V65 PolarHBondContact O-N 3.36Å; V65-V67 PolarHBondContact O-N 3Å; V65-V67 VanDerWaalsContact O-N 3.07Å |
| 66 | A | 22.7 | Very low | 24.3 | Very low | 81 Ų | 81 | 117 Ų | 117 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | trans | -64 | 105.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | N64 T68 | N64-A66 PolarHBondContact O-N 3.05Å; A66-T68 VanDerWaalsContact C-N 3.32Å; A66-T68 PolarHBondContact O-N 2.87Å |
| 67 | V | 25.1 | Very low | 24.5 | Very low | 135 Ų | 135 | 113.2 Ų | 113.2 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -72.2 | 90.4 | 169.9 | 180 | 0 | 0 | 0 | 0 | 107.9 | V65 G69 | V65-V67 PolarHBondContact O-N 3Å; V65-V67 VanDerWaalsContact O-N 3.07Å; V67-G69 PolarHBondContact O-N 3.24Å |
| 68 | T | 23.4 | Very low | 24.7 | Very low | 140 Ų | 140 | 110.7 Ų | 110.7 | 86% | 0.859 | 72% | 0.72 | S | S | * | * | | | trans | -74.6 | 71.5 | 165.6 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | A66 | A66-T68 VanDerWaalsContact C-N 3.32Å; A66-T68 PolarHBondContact O-N 2.87Å |
| 69 | G | 22.8 | Very low | 25 | Very low | 49 Ų | 49 | 111.9 Ų | 111.9 | 51% | 0.505 | 72% | 0.722 | S | S | . | * | | | trans | -125.9 | 72.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | V67 T71 | V67-G69 PolarHBondContact O-N 3.24Å; G69-T71 PolarHBondContact O-N 3.02Å |
| 70 | Q | 23.2 | Very low | 25.2 | Very low | 200 Ų | 200 | 116 Ų | 116 | 94% | 0.935 | 72% | 0.723 | S | S | * | * | | | trans | -66.9 | 79.2 | 169.6 | -71.6 | 179.3 | 5.4 | 0 | 0 | 108.4 | A72 | Q70-A72 VanDerWaalsContact C-N 3.35Å; Q70-A72 PolarHBondContact O-N 3.42Å |
| 71 | T | 23.7 | Very low | 25.2 | Very low | 132 Ų | 132 | 116.3 Ų | 116.3 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | | | trans | -69.2 | 101.1 | 162.9 | -51.1 | 0 | 0 | 0 | 0 | 106 | G69 C73 | G69-T71 PolarHBondContact O-N 3.02Å; T71-C73 PolarHBondContact O-N 3.04Å |
| 72 | A | 24.3 | Very low | 25.3 | Very low | 88 Ų | 88 | 117 Ų | 117 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -46.5 | 124.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q70 | Q70-A72 VanDerWaalsContact C-N 3.35Å; Q70-A72 PolarHBondContact O-N 3.42Å |
| 73 | C | 25.7 | Very low | 25.4 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | | | trans | -52.6 | 125.1 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | T71 T75 | T71-C73 PolarHBondContact O-N 3.04Å; C73-T75 PolarHBondContact O-N 3.01Å |
| 74 | P | 25.4 | Very low | 25.4 | Very low | 109 Ų | 109 | 115.4 Ų | 115.4 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | | | trans | -63.6 | 109.4 | 167.5 | 24.7 | -30 | 0 | 0 | 0 | 107.8 | A76 | P74-A76 PolarHBondContact O-N 2.81Š|
| 75 | T | 26.4 | Very low | 25.5 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | | | trans | -52.9 | 134.5 | 170.2 | -39.5 | 0 | 0 | 0 | 0 | 108.1 | C73 A77 S78 | C73-T75 PolarHBondContact O-N 3.01Å; T75-A77 PolarHBondContact O-N 2.95Å; T75-S78 PolarHBondContact O-N 2.86Å; T75-S78 PolarHBondContact O-OG 3.03Å |
| 76 | A | 29 | Very low | 25.5 | Very low | 73 Ų | 73 | 113.9 Ų | 113.9 | 60% | 0.603 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -52.4 | -11.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P74 S78 | P74-A76 PolarHBondContact O-N 2.81Å; A76-S78 VanDerWaalsContact C-N 3.31Å |
| 77 | A | 26.7 | Very low | 25.5 | Very low | 79 Ų | 79 | 113.8 Ų | 113.8 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -69.9 | -22.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | T75 L79 | T75-A77 PolarHBondContact O-N 2.95Å; A77-L79 VanDerWaalsContact C-N 3.33Å; A77-L79 PolarHBondContact O-N 3.26Å |
| 78 | S | 27.3 | Very low | 25.5 | Very low | 63 Ų | 63 | 112.2 Ų | 112.2 | 44% | 0.441 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -78.2 | -14.9 | -178.4 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | T75 A76 F80 S81 | T75-S78 PolarHBondContact O-N 2.86Å; T75-S78 PolarHBondContact O-OG 3.03Å; A76-S78 VanDerWaalsContact C-N 3.31Å; S78-F80 VanDerWaalsContact C-N 3.3Å; S78-F80 PolarHBondContact O-N 2.92Å; S78-S81 PolarHBondContact O-OG 2.98Å |
| 79 | L | 31 | Very low | 25.6 | Very low | 147 Ų | 147 | 110.2 Ų | 110.2 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -77.6 | -10.1 | 174.7 | -70.4 | 168.8 | 0 | 0 | 0 | 113.8 | A77 S81 | A77-L79 VanDerWaalsContact C-N 3.33Å; A77-L79 PolarHBondContact O-N 3.26Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.35Å |
| 80 | F | 28.2 | Very low | 25.6 | Very low | 182 Ų | 182 | 111.9 Ų | 111.9 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -88.1 | 13.1 | 177.5 | -76.4 | -80.2 | 0 | 0 | 0 | 114.1 | S78 V82 | S78-F80 VanDerWaalsContact C-N 3.3Å; S78-F80 PolarHBondContact O-N 2.92Å; F80-V82 PolarHBondContact O-N 2.96Å |
| 81 | S | 23.4 | Very low | 25.6 | Very low | 97 Ų | 97 | 106.1 Ų | 106.1 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | | | trans | -85.3 | 80 | 174.1 | -35.2 | 0 | 0 | 0 | 0 | 110 | S78 L79 | S78-S81 PolarHBondContact O-OG 2.98Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.35Å |
| 82 | V | 28.2 | Very low | 25.7 | Very low | 125 Ų | 125 | 104.4 Ų | 104.4 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | | | trans | -93 | 120.6 | 172.7 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | F80 | F80-V82 PolarHBondContact O-N 2.96Š|
| 83 | P | 27 | Very low | 25.6 | Very low | 110 Ų | 110 | 105.3 Ų | 105.3 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | | | | -145.6 | 125.2 | 107.3 | 34.8 | -17.5 | 0 | 0 | 0 | 109.2 | | |
| 84 | S | 23.6 | Very low | 25.6 | Very low | 103 Ų | 103 | 101.2 Ų | 101.2 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | | | | 158.7 | 158.1 | 78.2 | 42 | 0 | 0 | 0 | 0 | 107.5 | | |
| 85 | A | 25.3 | Very low | 25.6 | Very low | 90 Ų | 90 | 96.3 Ų | 96.3 | 74% | 0.744 | 67% | 0.671 | S | S | * | * | | | trans | 65.5 | 88.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 86 | N | 23.5 | Very low | 25.6 | Very low | 169 Ų | 169 | 91.6 Ų | 91.6 | 90% | 0.904 | 64% | 0.644 | S | S | * | * | | | | 52.6 | 111.6 | 106.3 | -104.2 | 34 | 0 | 0 | 0 | 112 | | |
| 87 | A | 23.5 | Very low | 25.3 | Very low | 79 Ų | 79 | 90.3 Ų | 90.3 | 65% | 0.653 | 63% | 0.63 | S | S | * | * | | | cis | -160.8 | 140.9 | 43.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 88 | A | 24 | Very low | 25.1 | Very low | 102 Ų | 102 | 91.5 Ų | 91.5 | 84% | 0.843 | 62% | 0.618 | S | S | * | * | | | | 44.9 | 98.1 | 105.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 89 | A | 25.8 | Very low | 25 | Very low | 98 Ų | 98 | 89.9 Ų | 89.9 | 81% | 0.81 | 61% | 0.606 | S | S | * | * | | | trans | -175.2 | 104.1 | 138.8 | 0 | 0 | 0 | 0 | 0 | 104.7 | | |
| 90 | G | 22.1 | Very low | 24.7 | Very low | 85 Ų | 85 | 87.1 Ų | 87.1 | 88% | 0.876 | 60% | 0.598 | S | S | * | * | | | | 78.6 | 113 | 69.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 91 | G | 23.7 | Very low | 24.5 | Very low | 78 Ų | 78 | 83 Ų | 83 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | | | cis | -166.4 | 156.7 | 0.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 92 | A | 25.2 | Very low | 24.6 | Very low | 97 Ų | 97 | 82.7 Ų | 82.7 | 80% | 0.802 | 60% | 0.596 | S | S | * | * | | | trans | -122 | 91.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | S94 | A92-S94 PolarHBondContact O-N 3.24Š|
| 93 | T | 23.8 | Very low | 24.6 | Very low | 106 Ų | 106 | 82 Ų | 82 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | | | trans | -70 | 111.8 | 151.9 | 34.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 94 | S | 24.8 | Very low | 24.8 | Very low | 20 Ų | 20 | 80.1 Ų | 80.1 | 14% | 0.14 | 60% | 0.604 | C | S | . | * | | | | 163.1 | 137.8 | 113.7 | -65.5 | 0 | 0 | 0 | 0 | 109.9 | A92 Q246 | A92-S94 PolarHBondContact O-N 3.24Å; S94-Q246 VanDerWaalsContact C-CB 3.49Å; S94-Q246 VanDerWaalsContact CB-O 3.29Å; S94-Q246 WeakPolarHBondContact CB-O 3.41Å; S94-Q246 PolarHBondContact O-N 3.43Å |
| 95 | A | 26.3 | Very low | 24.8 | Very low | 5 Ų | 5 | 81.2 Ų | 81.2 | 4% | 0.041 | 60% | 0.598 | C | S | . | * | | | trans | 163.7 | 50.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S97 P244 Q246 P255 Y256 | A95-S97 PolarHBondContact O-N 2.84Å; A95-P244 WeakPolarHBondContact CB-O 3.41Å; A95-Q246 HydrophobicContact CB-CB 4.36Å; A95-Q246 HydrophobicContact CB-CG 4.24Å; A95-P255 HydrophobicContact CB-CB 3.9Å; A95-P255 CarbonylContact O-C 3.54Å; A95-P255 WeakPolarHBondContact O-CA 3.28Å; A95-P255 WeakPolarHBondContact O-CB 3.04Å; A95-Y256 PolarHBondContact O-N 2.79Å |
| 96 | S | 25.3 | Very low | 24.9 | Very low | 16 Ų | 16 | 86.5 Ų | 86.5 | 11% | 0.112 | 61% | 0.607 | C | S | . | * | | | trans | -92.8 | 87.7 | 175.3 | -162.4 | 0 | 0 | 0 | 0 | 111.6 | Y253 P254 | S96-Y253 VanDerWaalsContact CB-CB 3.46Å; S96-Y253 WeakPolarHBondContact CB-O 3.36Å; S96-P254 WeakPolarHBondContact CB-O 3.33Å; S96-P254 PolarHBondContact OG-O 3.43Å |
| 97 | S | 22.5 | Very low | 25.2 | Very low | 45 Ų | 45 | 86.5 Ų | 86.5 | 32% | 0.315 | 60% | 0.596 | S | S | . | * | | | trans | -70.1 | 167.6 | 152.6 | 43.9 | 0 | 0 | 0 | 0 | 108.6 | A95 V243 A257 | A95-S97 PolarHBondContact O-N 2.84Å; S97-V243 WeakPolarHBondContact OG-CG1 3.3Å; S97-A257 CarbonylContact C-O 3.55Å; S97-A257 WeakPolarHBondContact CA-O 3.39Å; S97-A257 WeakPolarHBondContact CB-O 3.29Å; S97-A257 CarbonylContact O-C 3.59Å; S97-A257 VanDerWaalsContact O-C 3.27Å; S97-A257 WeakPolarHBondContact O-CA 2.78Å; S97-A257 WeakPolarHBondContact O-CB 3.29Å; S97-A257 PolarHBondContact O-N 2.92Å; S97-A257 PolarHBondContact OG-O 3.45Å |
| 98 | Y | 23.3 | Very low | 25.5 | Very low | 105 Ų | 105 | 91.8 Ų | 91.8 | 41% | 0.412 | 60% | 0.604 | S | S | . | * | | | trans | -115.4 | 178.5 | -176 | -80.3 | -91.9 | 0 | 0 | 0 | 112.2 | Y253 A257 W258 I259 | Y98-Y253 AromaticContact CZ-CD1 3.97Å; Y98-Y253 WeakPolarHBondContact OH-CD1 3.08Å; Y98-Y253 WeakPolarHBondContact OH-CE1 3.2Å; Y98-Y253 VanDerWaalsContact OH-CG 3.23Å; Y98-Y253 VanDerWaalsContact OH-CZ 3.3Å; Y98-A257 CarbonylContact C-O 2.79Å; Y98-A257 PolarHBondContact N-O 2.92Å; Y98-A257 CarbonylContact O-C 2.69Å; Y98-W258 CarbonylContact O-C 3.27Å; Y98-W258 WeakPolarHBondContact O-CA 3.32Å; Y98-W258 PolarHBondContact O-N 3.22Å; Y98-I259 VanDerWaalsContact CB-CD1 3.41Å; Y98-I259 VanDerWaalsContact O-CA 3.3Å; Y98-I259 WeakPolarHBondContact O-CA 3.22Å; Y98-I259 WeakPolarHBondContact O-CB 3.34Å; Y98-I259 WeakPolarHBondContact O-CD1 3.27Å; Y98-I259 WeakPolarHBondContact O-CG1 3.04Å; Y98-I259 PolarHBondContact O-N 2.99Å |
| 99 | T | 23.7 | Very low | 25.7 | Very low | 29 Ų | 29 | 97.9 Ų | 97.9 | 18% | 0.178 | 61% | 0.605 | C | S | . | * | | | trans | 87.5 | 107.2 | -176.5 | 145.9 | 0 | 0 | 0 | 0 | 115.1 | W258 I259 | T99-W258 VanDerWaalsContact CB-C 3.48Å; T99-W258 WeakPolarHBondContact CB-O 2.89Å; T99-W258 CarbonylContact O-C 3.39Å; T99-W258 PolarHBondContact O-N 2.84Å; T99-W258 VanDerWaalsContact O-O 3.05Å; T99-W258 PolarHBondContact OG1-O 3.35Å; T99-I259 VanDerWaalsContact CG2-CA 3.47Å; T99-I259 HydrophobicContact CG2-CB 3.49Å; T99-I259 VanDerWaalsContact CG2-CB 3.49Å; T99-I259 HydrophobicContact CG2-CD1 4.38Å; T99-I259 HydrophobicContact CG2-CG1 2.99Å; T99-I259 HydrophobicContact CG2-CG2 3.75Å; T99-I259 WeakPolarHBondContact OG1-CA 3.36Å |
| 100 | S | 24.9 | Very low | 25.8 | Very low | 88 Ų | 88 | 99 Ų | 99 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | | | | 74.4 | 72.4 | 60.6 | 86.2 | 0 | 0 | 0 | 0 | 112.5 | A102 | S100-A102 PolarHBondContact O-N 3.26Š|
| 101 | S | 24.6 | Very low | 26.2 | Very low | 96 Ų | 96 | 101.9 Ų | 101.9 | 67% | 0.671 | 59% | 0.588 | S | S | * | * | | | trans | -57.2 | 122.7 | 146.9 | 44.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 102 | A | 25.3 | Very low | 26.8 | Very low | 91 Ų | 91 | 106.1 Ų | 106.1 | 75% | 0.752 | 59% | 0.585 | S | S | * | * | | | trans | -46.9 | 148.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S100 G104 | S100-A102 PolarHBondContact O-N 3.26Å; A102-G104 PolarHBondContact O-N 2.86Å |
| 103 | A | 28.2 | Very low | 26.9 | Very low | 110 Ų | 110 | 111 Ų | 111 | 91% | 0.909 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -43.8 | 101.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 104 | G | 30.9 | Very low | 27.1 | Very low | 71 Ų | 71 | 115.9 Ų | 115.9 | 73% | 0.732 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -117.5 | -34.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A102 | A102-G104 PolarHBondContact O-N 2.86Š|
| 105 | E | 25.1 | Very low | 27.4 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 59% | 0.589 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -139.1 | 132.3 | 174.6 | -60.9 | -168.7 | 153.6 | 0 | 0 | 108.3 | Y107 | E105-Y107 HydrophobicContact CB-CD1 4.41Å; E105-Y107 HydrophobicContact CB-CD2 4.14Å; E105-Y107 HydrophobicContact CB-CE1 3.95Å; E105-Y107 HydrophobicContact CB-CE2 3.7Å; E105-Y107 HydrophobicContact CB-CG 4.49Å; E105-Y107 VanDerWaalsContact O-CD2 3.28Å; E105-Y107 WeakPolarHBondContact O-CD2 2.73Å; E105-Y107 PolarHBondContact O-N 2.97Å; E105-Y107 VanDerWaalsContact OE2-CE1 3.28Å; E105-Y107 WeakPolarHBondContact OE2-CE1 3.11Å; E105-Y107 PolarHBondContact OE2-OH 3.32Å |
| 106 | Q | 27.5 | Very low | 27.4 | Very low | 201 Ų | 201 | 131.3 Ų | 131.3 | 94% | 0.939 | 66% | 0.662 | S | S | * | * | | | trans | -63.6 | 79.6 | 170.1 | -70.1 | 170.1 | -18.7 | 0 | 0 | 107.8 | K108 | Q106-K108 PolarHBondContact O-N 2.92Š|
| 107 | Y | 29.8 | Very low | 27.5 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 66% | 0.663 | 69% | 0.688 | S | S | * | * | | | trans | -71.4 | 86.3 | 175.4 | -68.7 | -65.2 | 0 | 0 | 0 | 108.1 | E105 W109 | E105-Y107 HydrophobicContact CB-CD1 4.41Å; E105-Y107 HydrophobicContact CB-CD2 4.14Å; E105-Y107 HydrophobicContact CB-CE1 3.95Å; E105-Y107 HydrophobicContact CB-CE2 3.7Å; E105-Y107 HydrophobicContact CB-CG 4.49Å; E105-Y107 VanDerWaalsContact O-CD2 3.28Å; E105-Y107 WeakPolarHBondContact O-CD2 2.73Å; E105-Y107 PolarHBondContact O-N 2.97Å; E105-Y107 VanDerWaalsContact OE2-CE1 3.28Å; E105-Y107 WeakPolarHBondContact OE2-CE1 3.11Å; E105-Y107 PolarHBondContact OE2-OH 3.32Å; Y107-W109 PolarHBondContact O-N 3.07Å |
| 108 | K | 28 | Very low | 27.8 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | | | trans | -47.8 | 109 | 166.7 | -169.7 | 178.5 | 176.6 | -176.2 | 0 | 107.1 | Q106 N110 | Q106-K108 PolarHBondContact O-N 2.92Å; K108-N110 VanDerWaalsContact C-N 3.34Å; K108-N110 PolarHBondContact O-N 3.37Å |
| 109 | W | 28.8 | Very low | 28.1 | Very low | 229 Ų | 229 | 146.3 Ų | 146.3 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | | | trans | -53.3 | 92.8 | -178.7 | -64.5 | 89.9 | 0 | 0 | 0 | 110.5 | Y107 H111 | Y107-W109 PolarHBondContact O-N 3.07Å; W109-H111 PolarHBondContact O-N 2.88Å |
| 110 | N | 27.5 | Very low | 28.3 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | | | trans | -73.1 | 90.5 | 160.4 | -94.7 | -3.7 | 0 | 0 | 0 | 105.7 | K108 F112 | K108-N110 VanDerWaalsContact C-N 3.34Å; K108-N110 PolarHBondContact O-N 3.37Å; N110-F112 HydrophobicContact CB-CE2 4.28Å; N110-F112 WeakPolarHBondContact O-CD2 3.16Å; N110-F112 PolarHBondContact O-N 3.37Å |
| 111 | H | 30.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 151.9 Ų | 151.9 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | | | trans | -54.8 | 95.8 | 158.5 | -83.4 | -177.9 | 0 | 0 | 0 | 107.4 | W109 Y113 | W109-H111 PolarHBondContact O-N 2.88Å; H111-Y113 VanDerWaalsContact C-N 3.27Å; H111-Y113 WeakPolarHBondContact O-CD2 2.99Å; H111-Y113 PolarHBondContact O-N 2.85Å |
| 112 | F | 37.6 | Very low | 28.7 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 74% | 0.737 | 77% | 0.772 | S | S | * | * | | | trans | -64 | 99.4 | 159.8 | -70.2 | -81 | 0 | 0 | 0 | 106.1 | N110 Y114 | N110-F112 HydrophobicContact CB-CE2 4.28Å; N110-F112 WeakPolarHBondContact O-CD2 3.16Å; N110-F112 PolarHBondContact O-N 3.37Å; F112-Y114 PolarHBondContact O-N 2.92Å |
| 113 | Y | 27.5 | Very low | 28.7 | Very low | 199 Ų | 199 | 155.1 Ų | 155.1 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | -55.2 | 98.9 | 168.3 | -75.4 | -94.8 | 0 | 0 | 0 | 108.1 | H111 P115 | H111-Y113 VanDerWaalsContact C-N 3.27Å; H111-Y113 WeakPolarHBondContact O-CD2 2.99Å; H111-Y113 PolarHBondContact O-N 2.85Å; Y113-P115 WeakPolarHBondContact O-CD 3.32Å |
| 114 | Y | 27 | Very low | 28.6 | Very low | 208 Ų | 208 | 156.7 Ų | 156.7 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | | | trans | -68.6 | 119.1 | 160.3 | -83.3 | -86.1 | 0 | 0 | 0 | 106.9 | F112 Y116 | F112-Y114 PolarHBondContact O-N 2.92Å; Y114-Y116 PolarHBondContact O-N 3.19Å |
| 115 | P | 30.8 | Very low | 28.5 | Very low | 114 Ų | 114 | 163.7 Ų | 163.7 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | | | trans | -64.2 | 126.9 | -178.8 | 26.6 | -32.3 | 0 | 0 | 0 | 108.8 | Y113 G117 | Y113-P115 WeakPolarHBondContact O-CD 3.32Å; P115-G117 PolarHBondContact O-N 3.12Å |
| 116 | Y | 26.5 | Very low | 28.6 | Very low | 235 Ų | 235 | 167.4 Ų | 167.4 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -42.3 | 110.3 | 169 | -61.4 | -88.7 | 0 | 0 | 0 | 110.8 | Y114 | Y114-Y116 PolarHBondContact O-N 3.19Š|
| 117 | G | 27.3 | Very low | 28.5 | Very low | 65 Ų | 65 | 161.4 Ų | 161.4 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | trans | -165.6 | -16.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P115 | P115-G117 PolarHBondContact O-N 3.12Š|
| 118 | L | 29.7 | Very low | 28.3 | Very low | 177 Ų | 177 | 156.5 Ų | 156.5 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | | | trans | -111.1 | 79.2 | 172.8 | -69 | 161.9 | 0 | 0 | 0 | 108.3 | S120 | L118-S120 PolarHBondContact O-N 2.93Š|
| 119 | R | 28.3 | Very low | 28.2 | Very low | 240 Ų | 240 | 155.3 Ų | 155.3 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | trans | -65.2 | 93.4 | 167.6 | -68.8 | 176.4 | 119.7 | -164 | 0.5 | 107.2 | T121 | R119-T121 VanDerWaalsContact C-N 3.3Å; R119-T121 PolarHBondContact O-N 2.83Å |
| 120 | S | 29.6 | Very low | 28.1 | Very low | 97 Ų | 97 | 150 Ų | 150 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | -48.8 | 100.9 | 151.3 | 173.7 | 0 | 0 | 0 | 0 | 106.8 | L118 G122 | L118-S120 PolarHBondContact O-N 2.93Å; S120-G122 PolarHBondContact O-N 3.19Å |
| 121 | T | 27.4 | Very low | 28.1 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -59.1 | 90.6 | 158.6 | 27.1 | 0 | 0 | 0 | 0 | 105.8 | R119 Y123 | R119-T121 VanDerWaalsContact C-N 3.3Å; R119-T121 PolarHBondContact O-N 2.83Å; T121-Y123 PolarHBondContact O-N 2.94Å |
| 122 | G | 28.7 | Very low | 28 | Very low | 58 Ų | 58 | 146.8 Ų | 146.8 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | | | trans | -56.3 | 110.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S120 D124 | S120-G122 PolarHBondContact O-N 3.19Å; G122-D124 PolarHBondContact O-N 3.17Å |
| 123 | Y | 27.1 | Very low | 27.4 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | 23.1 | 98.6 | 136.6 | -68.3 | -87.4 | 0 | 0 | 0 | 114.3 | T121 R125 | T121-Y123 PolarHBondContact O-N 2.94Å; Y123-R125 VanDerWaalsContact C-N 3.27Å; Y123-R125 PolarHBondContact O-N 3.5Å |
| 124 | D | 24.7 | Very low | 27.3 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | -50.2 | 91.3 | 159.4 | -168.6 | -9.7 | 0 | 0 | 0 | 109.1 | G122 F126 | G122-D124 PolarHBondContact O-N 3.17Å; D124-F126 VanDerWaalsContact C-N 3.31Å; D124-F126 PolarHBondContact O-N 2.86Å |
| 125 | R | 28.6 | Very low | 27.4 | Very low | 218 Ų | 218 | 140.6 Ų | 140.6 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | | | trans | -87.2 | 82.5 | 171.9 | -72.5 | -173.8 | -169 | -174.4 | 3.5 | 106.8 | Y123 | Y123-R125 VanDerWaalsContact C-N 3.27Å; Y123-R125 PolarHBondContact O-N 3.5Å |
| 126 | F | 27.8 | Very low | 27.2 | Very low | 204 Ų | 204 | 143.5 Ų | 143.5 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 54.2 | 94.6 | 157.9 | -58 | -79.1 | 0 | 0 | 0 | 115.5 | D124 | D124-F126 VanDerWaalsContact C-N 3.31Å; D124-F126 PolarHBondContact O-N 2.86Å |
| 127 | G | 25.6 | Very low | 27.4 | Very low | 75 Ų | 75 | 138.6 Ų | 138.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | 114.6 | 105.5 | 144 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 128 | G | 25 | Very low | 27.4 | Very low | 65 Ų | 65 | 141.3 Ų | 141.3 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | 146.4 | 100.5 | 164 | 0 | 0 | 0 | 0 | 0 | 111.7 | S130 | G128-S130 PolarHBondContact O-N 2.79Š|
| 129 | D | 26.8 | Very low | 27.5 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -40.7 | 128.2 | 174.1 | -57.5 | -73.1 | 0 | 0 | 0 | 113.5 | | |
| 130 | S | 26.6 | Very low | 27.4 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -156.5 | 75.4 | 155.2 | -75.4 | 0 | 0 | 0 | 0 | 109.3 | G128 | G128-S130 PolarHBondContact O-N 2.79Š|
| 131 | A | 27.5 | Very low | 27.4 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -55.2 | 148.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 132 | A | 27.6 | Very low | 27.5 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | 79 | 88 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 133 | N | 25.6 | Very low | 27.7 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | | -178.4 | 67.7 | 116.7 | -151 | -19.6 | 0 | 0 | 0 | 110.2 | T135 | N133-T135 VanDerWaalsContact C-N 3.34Å; N133-T135 PolarHBondContact O-N 3.41Å; N133-T135 VanDerWaalsContact O-N 3.16Å |
| 134 | Q | 25.8 | Very low | 27.8 | Very low | 200 Ų | 200 | 136.6 Ų | 136.6 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | | | trans | -83.3 | 86.2 | 170.6 | -74.6 | -97.5 | -28.6 | 0 | 0 | 107.5 | Q136 | Q134-Q136 PolarHBondContact O-N 2.99Å; Q134-Q136 VanDerWaalsContact O-N 3.1Å |
| 135 | T | 27.5 | Very low | 28 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | | | trans | -60.3 | 112.5 | 175.3 | -42.5 | 0 | 0 | 0 | 0 | 109.2 | N133 T137 | N133-T135 VanDerWaalsContact C-N 3.34Å; N133-T135 PolarHBondContact O-N 3.41Å; N133-T135 VanDerWaalsContact O-N 3.16Å; T135-T137 PolarHBondContact O-N 3.16Å; T135-T137 PolarHBondContact O-OG1 2.77Å |
| 136 | Q | 28.2 | Very low | 28 | Very low | 174 Ų | 174 | 126.3 Ų | 126.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -50.7 | 103.9 | 177.8 | -175.4 | 176.3 | 6.2 | 0 | 0 | 110.4 | Q134 T138 | Q134-Q136 PolarHBondContact O-N 2.99Å; Q134-Q136 VanDerWaalsContact O-N 3.1Å; Q136-T138 PolarHBondContact O-N 2.86Å |
| 137 | T | 29.7 | Very low | 28.1 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | -86.4 | 96.2 | 176.7 | -56 | 0 | 0 | 0 | 0 | 108 | T135 A139 | T135-T137 PolarHBondContact O-N 3.16Å; T135-T137 PolarHBondContact O-OG1 2.77Å; T137-A139 PolarHBondContact O-N 2.87Å |
| 138 | T | 27.7 | Very low | 28.2 | Very low | 122 Ų | 122 | 121 Ų | 121 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -66.8 | 98.2 | 177 | -44 | 0 | 0 | 0 | 0 | 109.6 | Q136 N140 | Q136-T138 PolarHBondContact O-N 2.86Å; T138-N140 PolarHBondContact O-N 2.8Å |
| 139 | A | 30.8 | Very low | 28.5 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -75.4 | 106.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T137 L141 | T137-A139 PolarHBondContact O-N 2.87Å; A139-L141 PolarHBondContact O-N 3.07Å |
| 140 | N | 27.9 | Very low | 28.7 | Very low | 156 Ų | 156 | 118.1 Ų | 118.1 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | | | trans | -77 | 86.6 | 176.8 | -162.5 | 25.4 | 0 | 0 | 0 | 109.4 | T138 L142 | T138-N140 PolarHBondContact O-N 2.8Å; N140-L142 PolarHBondContact O-N 3.42Å |
| 141 | L | 29.4 | Very low | 28.9 | Very low | 148 Ų | 148 | 115.8 Ų | 115.8 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | | | trans | -82.7 | 106.3 | -179.4 | -159.5 | 74.2 | 0 | 0 | 0 | 109.6 | A139 V143 | A139-L141 PolarHBondContact O-N 3.07Å; L141-V143 PolarHBondContact O-N 2.96Å; L141-V143 VanDerWaalsContact O-N 3.1Å |
| 142 | L | 29.8 | Very low | 29.4 | Very low | 169 Ų | 169 | 117 Ų | 117 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | | | trans | -74.4 | 96.3 | 176.9 | -170.5 | 65.7 | 0 | 0 | 0 | 109.7 | N140 S144 | N140-L142 PolarHBondContact O-N 3.42Å; L142-S144 PolarHBondContact O-N 3.05Å |
| 143 | V | 32.6 | Very low | 29.4 | Very low | 118 Ų | 118 | 116.5 Ų | 116.5 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | | | trans | -80.9 | 110.7 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | L141 G145 | L141-V143 PolarHBondContact O-N 2.96Å; L141-V143 VanDerWaalsContact O-N 3.1Å; V143-G145 PolarHBondContact O-N 2.81Å |
| 144 | S | 28.5 | Very low | 29.7 | Very low | 129 Ų | 129 | 116 Ų | 116 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -83.1 | 92.4 | 172 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | L142 | L142-S144 PolarHBondContact O-N 3.05Š|
| 145 | G | 29.4 | Very low | 30 | Very low | 63 Ų | 63 | 112.1 Ų | 112.1 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | | | trans | -122.7 | 129 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V143 | V143-G145 PolarHBondContact O-N 2.81Š|
| 146 | G | 28.2 | Very low | 30.1 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | trans | -62.8 | 148.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 147 | G | 29 | Very low | 30.4 | Very low | 85 Ų | 85 | 112.5 Ų | 112.5 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 63 | 91.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 148 | G | 29.1 | Very low | 30.3 | Very low | 82 Ų | 82 | 110.7 Ų | 110.7 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 113.1 | 95.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 149 | G | 31.2 | Very low | 30.6 | Very low | 78 Ų | 78 | 108.5 Ų | 108.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 89.5 | 97.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G151 | G149-G151 PolarHBondContact O-N 3.23Š|
| 150 | G | 31.4 | Very low | 30.4 | Very low | 94 Ų | 94 | 109.6 Ų | 109.6 | 97% | 0.969 | 78% | 0.778 | S | S | * | * | | | trans | -68.7 | 68.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 151 | G | 30.3 | Very low | 30.7 | Very low | 67 Ų | 67 | 108.1 Ų | 108.1 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -92.3 | 109.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G149 A153 | G149-G151 PolarHBondContact O-N 3.23Å; G151-A153 PolarHBondContact O-N 2.94Å; G151-A153 VanDerWaalsContact O-N 3.07Å |
| 152 | T | 36.9 | Very low | 30.8 | Very low | 125 Ų | 125 | 108.1 Ų | 108.1 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | | | trans | -57.5 | 107.8 | 167.4 | 40.6 | 0 | 0 | 0 | 0 | 110 | T154 | T152-T154 PolarHBondContact O-N 2.95Å; T152-T154 VanDerWaalsContact O-N 3.1Å |
| 153 | A | 29.5 | Very low | 30.6 | Very low | 90 Ų | 90 | 106 Ų | 106 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | -75.2 | 94.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109 | G151 V155 | G151-A153 PolarHBondContact O-N 2.94Å; G151-A153 VanDerWaalsContact O-N 3.07Å; A153-V155 PolarHBondContact O-N 3.47Å; A153-V155 VanDerWaalsContact O-N 3.14Å |
| 154 | T | 31.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 108.2 Ų | 108.2 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -70.2 | 102.8 | 168.4 | 29.5 | 0 | 0 | 0 | 0 | 109.3 | T152 N156 | T152-T154 PolarHBondContact O-N 2.95Å; T152-T154 VanDerWaalsContact O-N 3.1Å; T154-N156 PolarHBondContact O-N 3.48Å; T154-N156 VanDerWaalsContact O-N 3.07Å |
| 155 | V | 30.9 | Very low | 30.4 | Very low | 117 Ų | 117 | 108.8 Ų | 108.8 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | | | trans | -71.5 | 98.1 | 169 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | A153 L157 | A153-V155 PolarHBondContact O-N 3.47Å; A153-V155 VanDerWaalsContact O-N 3.14Å; V155-L157 HydrophobicContact CG1-CD1 4.08Å; V155-L157 HydrophobicContact CG1-CG 4.04Å; V155-L157 PolarHBondContact O-N 3.48Å; V155-L157 VanDerWaalsContact O-N 3.1Å |
| 156 | N | 30.5 | Very low | 30.1 | Very low | 138 Ų | 138 | 114 Ų | 114 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -78.7 | 88.9 | 175.5 | -170.8 | 5.3 | 0 | 0 | 0 | 109.4 | T154 S158 | T154-N156 PolarHBondContact O-N 3.48Å; T154-N156 VanDerWaalsContact O-N 3.07Å; N156-S158 PolarHBondContact O-N 2.76Å; N156-S158 WeakPolarHBondContact OD1-CB 3.14Å; N156-S158 PolarHBondContact OD1-N 2.78Å |
| 157 | L | 33.8 | Very low | 30.1 | Very low | 151 Ų | 151 | 115.2 Ų | 115.2 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | -74.6 | 58.8 | 168.1 | -73 | 139.5 | 0 | 0 | 0 | 109.9 | V155 A159 | V155-L157 HydrophobicContact CG1-CD1 4.08Å; V155-L157 HydrophobicContact CG1-CG 4.04Å; V155-L157 PolarHBondContact O-N 3.48Å; V155-L157 VanDerWaalsContact O-N 3.1Å; L157-A159 PolarHBondContact O-N 2.51Å; L157-A159 VanDerWaalsContact O-N 3.1Å |
| 158 | S | 27.4 | Very low | 30.1 | Very low | 94 Ų | 94 | 115.7 Ų | 115.7 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | trans | -83.4 | 63.9 | 165 | -168.9 | 0 | 0 | 0 | 0 | 108.2 | N156 | N156-S158 PolarHBondContact O-N 2.76Å; N156-S158 WeakPolarHBondContact OD1-CB 3.14Å; N156-S158 PolarHBondContact OD1-N 2.78Å |
| 159 | A | 33.5 | Very low | 30.1 | Very low | 76 Ų | 76 | 117.9 Ų | 117.9 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 124.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | L157 | L157-A159 PolarHBondContact O-N 2.51Å; L157-A159 VanDerWaalsContact O-N 3.1Å |
| 160 | P | 28.1 | Very low | 29.9 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144.6 | 173.9 | 23.7 | -31.2 | 0 | 0 | 0 | 109.5 | I162 | P160-I162 PolarHBondContact O-N 3.13Å; P160-I162 VanDerWaalsContact O-N 3.16Å |
| 161 | P | 33.9 | Very low | 29.8 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 123.4 | -177.5 | 21.3 | -31.6 | 0 | 0 | 0 | 110.3 | N163 | P161-N163 PolarHBondContact O-N 3.04Š|
| 162 | I | 31 | Very low | 29.6 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | trans | -63.7 | 108.6 | 176.5 | -59.4 | 176.1 | 0 | 0 | 0 | 107.5 | P160 L164 | P160-I162 PolarHBondContact O-N 3.13Å; P160-I162 VanDerWaalsContact O-N 3.16Å; I162-L164 HydrophobicContact CG2-CG 4.37Å; I162-L164 PolarHBondContact O-N 2.86Å; I162-L164 VanDerWaalsContact O-N 3.13Å |
| 163 | N | 25.8 | Very low | 29.1 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | | | trans | -77.8 | 96.9 | 174.9 | -167.2 | -36.2 | 0 | 0 | 0 | 108.6 | P161 N165 | P161-N163 PolarHBondContact O-N 3.04Å; N163-N165 PolarHBondContact O-N 3.01Å; N163-N165 WeakPolarHBondContact OD1-CB 3.07Å; N163-N165 PolarHBondContact OD1-N 2.84Å |
| 164 | L | 30.8 | Very low | 29 | Very low | 165 Ų | 165 | 118.9 Ų | 118.9 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 5.7 | -178 | -76.2 | 126.5 | 0 | 0 | 0 | 114.5 | I162 Q166 | I162-L164 HydrophobicContact CG2-CG 4.37Å; I162-L164 PolarHBondContact O-N 2.86Å; I162-L164 VanDerWaalsContact O-N 3.13Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 2.78Å |
| 165 | N | 25.4 | Very low | 29 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 14.7 | -177.7 | -156.4 | 10.5 | 0 | 0 | 0 | 114.5 | N163 S167 | N163-N165 PolarHBondContact O-N 3.01Å; N163-N165 WeakPolarHBondContact OD1-CB 3.07Å; N163-N165 PolarHBondContact OD1-N 2.84Å; N165-S167 PolarHBondContact O-N 2.99Å |
| 166 | Q | 24.6 | Very low | 29.1 | Very low | 172 Ų | 172 | 121.3 Ų | 121.3 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -97.3 | 83.3 | 171.7 | -66.7 | -169.2 | -31.6 | 0 | 0 | 109.9 | L164 S168 | L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 2.78Å; Q166-S168 PolarHBondContact O-N 2.92Å |
| 167 | S | 27.7 | Very low | 29.4 | Very low | 109 Ų | 109 | 119 Ų | 119 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -63.4 | 88 | 159.1 | -174.4 | 0 | 0 | 0 | 0 | 108 | N165 T169 | N165-S167 PolarHBondContact O-N 2.99Å; S167-T169 PolarHBondContact O-N 2.94Å; S167-T169 VanDerWaalsContact O-N 3.08Å |
| 168 | S | 29.8 | Very low | 29.5 | Very low | 95 Ų | 95 | 117 Ų | 117 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | | | trans | -72.9 | 97.3 | 171.6 | -179 | 0 | 0 | 0 | 0 | 107.8 | Q166 N170 | Q166-S168 PolarHBondContact O-N 2.92Å; S168-N170 PolarHBondContact O-N 2.77Å |
| 169 | T | 27.6 | Very low | 29.7 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | -69.4 | 81.8 | 168 | -1.3 | 0 | 0 | 0 | 0 | 107.3 | S167 A171 | S167-T169 PolarHBondContact O-N 2.94Å; S167-T169 VanDerWaalsContact O-N 3.08Å; T169-A171 PolarHBondContact O-N 3.01Å |
| 170 | N | 27.5 | Very low | 29.4 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -81 | 59.7 | 176.4 | -142.7 | 1.3 | 0 | 0 | 0 | 109.1 | S168 S172 | S168-N170 PolarHBondContact O-N 2.77Å; N170-S172 PolarHBondContact O-N 2.77Å; N170-S172 PolarHBondContact OD1-OG 3.2Å |
| 171 | A | 29.1 | Very low | 29.7 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | -81.1 | 62.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | T169 G173 | T169-A171 PolarHBondContact O-N 3.01Å; A171-G173 VanDerWaalsContact C-N 3.25Å; A171-G173 PolarHBondContact O-N 3Å; A171-G173 VanDerWaalsContact O-N 3.15Å |
| 172 | S | 26.4 | Very low | 30 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -84.5 | 73.1 | 170.1 | -61.1 | 0 | 0 | 0 | 0 | 108.2 | N170 | N170-S172 PolarHBondContact O-N 2.77Å; N170-S172 PolarHBondContact OD1-OG 3.2Å |
| 173 | G | 26.8 | Very low | 30.1 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -138.6 | 99.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A171 | A171-G173 VanDerWaalsContact C-N 3.25Å; A171-G173 PolarHBondContact O-N 3Å; A171-G173 VanDerWaalsContact O-N 3.15Å |
| 174 | G | 26.8 | Very low | 30.1 | Very low | 75 Ų | 75 | 120.9 Ų | 120.9 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | 23.2 | 112.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | D176 | G174-D176 PolarHBondContact O-N 2.89Š|
| 175 | V | 30.9 | Very low | 29.9 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 90% | 0.903 | 76% | 0.757 | S | S | * | * | | | trans | -56 | 101.8 | 154.5 | -74.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 176 | D | 34.4 | Very low | 30 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -104.3 | 101.1 | 147.4 | -160.9 | -7.6 | 0 | 0 | 0 | 106.8 | G174 T178 | G174-D176 PolarHBondContact O-N 2.89Å; D176-T178 PolarHBondContact O-N 2.9Å |
| 177 | A | 36.3 | Very low | 30.1 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -82.3 | 67.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 178 | T | 35.8 | Very low | 30 | Very low | 111 Ų | 111 | 127 Ų | 127 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -159.5 | 130.8 | 159.3 | -62.1 | 0 | 0 | 0 | 0 | 107.9 | D176 | D176-T178 PolarHBondContact O-N 2.9Š|
| 179 | E | 31.5 | Very low | 29.8 | Very low | 186 Ų | 186 | 127.9 Ų | 127.9 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | 83.4 | 79.9 | 179.5 | -63.8 | 166.5 | -155.3 | 0 | 0 | 116.2 | N181 | E179-N181 PolarHBondContact O-N 3.35Š|
| 180 | G | 28.1 | Very low | 29.8 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | | | trans | -60.7 | 115.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 181 | N | 32.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | | | trans | -150 | 107.5 | 147.7 | -168 | 14 | 0 | 0 | 0 | 109 | E179 Y183 G184 | E179-N181 PolarHBondContact O-N 3.35Å; N181-Y183 PolarHBondContact O-N 2.95Å; N181-G184 PolarHBondContact O-N 2.97Å |
| 182 | P | 42.1 | Very low | 29.3 | Very low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 22.1 | -175.5 | 29.6 | -34.6 | 0 | 0 | 0 | 114.9 | | |
| 183 | Y | 31.8 | Very low | 29.4 | Very low | 188 Ų | 188 | 122.8 Ų | 122.8 | 74% | 0.737 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 34.5 | 168.5 | -62 | -72.7 | 0 | 0 | 0 | 111.4 | N181 H185 | N181-Y183 PolarHBondContact O-N 2.95Å; Y183-H185 PolarHBondContact O-CD2 3.41Å; Y183-H185 PolarHBondContact O-N 2.78Å; Y183-H185 VanDerWaalsContact O-N 3.07Å |
| 184 | G | 26.7 | Very low | 29.2 | Very low | 61 Ų | 61 | 125 Ų | 125 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | trans | -57.6 | 108.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N181 H186 | N181-G184 PolarHBondContact O-N 2.97Å; G184-H186 PolarHBondContact O-N 3.43Å |
| 185 | H | 26.7 | Very low | 29.1 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | | | trans | -51.7 | 126 | -178.5 | -76.1 | -115.3 | 0 | 0 | 0 | 111.8 | Y183 Q187 | Y183-H185 PolarHBondContact O-CD2 3.41Å; Y183-H185 PolarHBondContact O-N 2.78Å; Y183-H185 VanDerWaalsContact O-N 3.07Å; H185-Q187 VanDerWaalsContact C-N 3.33Å; H185-Q187 PolarHBondContact O-N 3.43Å |
| 186 | H | 27.5 | Very low | 28.7 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | -56.5 | 96.6 | 165.3 | -45.8 | -105.2 | 0 | 0 | 0 | 107.8 | G184 Q188 | G184-H186 PolarHBondContact O-N 3.43Å; H186-Q188 VanDerWaalsContact C-N 3.27Å; H186-Q188 PolarHBondContact O-N 3.49Å |
| 187 | Q | 25.2 | Very low | 28.2 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | -68 | 93.4 | 170.2 | -70.5 | -174.5 | -8.6 | 0 | 0 | 107.1 | H185 S189 | H185-Q187 VanDerWaalsContact C-N 3.33Å; H185-Q187 PolarHBondContact O-N 3.43Å; Q187-S189 VanDerWaalsContact C-N 3.25Å; Q187-S189 PolarHBondContact O-N 2.98Å |
| 188 | Q | 26.6 | Very low | 27.6 | Very low | 182 Ų | 182 | 126.2 Ų | 126.2 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | trans | -64.9 | 92.3 | 164.6 | -73.7 | 175.9 | -34.8 | 0 | 0 | 106.9 | H186 A190 | H186-Q188 VanDerWaalsContact C-N 3.27Å; H186-Q188 PolarHBondContact O-N 3.49Å; Q188-A190 VanDerWaalsContact C-N 3.28Å; Q188-A190 PolarHBondContact O-N 2.62Å |
| 189 | S | 26.1 | Very low | 26.9 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | -60.6 | 98.5 | 164.6 | -59.5 | 0 | 0 | 0 | 0 | 107.2 | Q187 G191 | Q187-S189 VanDerWaalsContact C-N 3.25Å; Q187-S189 PolarHBondContact O-N 2.98Å; S189-G191 PolarHBondContact O-N 3.37Å |
| 190 | A | 26.2 | Very low | 26.6 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | trans | -64.2 | 83 | 168 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q188 A192 | Q188-A190 VanDerWaalsContact C-N 3.28Å; Q188-A190 PolarHBondContact O-N 2.62Å; A190-A192 PolarHBondContact O-N 3.42Å |
| 191 | G | 24.2 | Very low | 26.4 | Very low | 57 Ų | 57 | 123 Ų | 123 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | | | trans | -58.4 | 97.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | S189 N193 | S189-G191 PolarHBondContact O-N 3.37Å; G191-N193 PolarHBondContact O-N 3.18Å; G191-N193 PolarHBondContact O-OD1 2.57Å |
| 192 | A | 23.6 | Very low | 26.1 | Very low | 95 Ų | 95 | 124.3 Ų | 124.3 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -65.6 | 83.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | A190 S194 | A190-A192 PolarHBondContact O-N 3.42Å; A192-S194 PolarHBondContact O-N 2.74Å |
| 193 | N | 26.7 | Very low | 25.3 | Very low | 105 Ų | 105 | 122 Ų | 122 | 56% | 0.561 | 74% | 0.735 | S | S | * | * | | | trans | -66.3 | 92.5 | 163.9 | -54.5 | -6.7 | 0 | 0 | 0 | 104.6 | G191 F195 | G191-N193 PolarHBondContact O-N 3.18Å; G191-N193 PolarHBondContact O-OD1 2.57Å; N193-F195 HydrophobicContact CB-CD2 4.25Å; N193-F195 HydrophobicContact CB-CE2 3.86Å; N193-F195 HydrophobicContact CB-CZ 4.46Å; N193-F195 VanDerWaalsContact O-CD2 3.32Å; N193-F195 WeakPolarHBondContact O-CD2 2.91Å; N193-F195 PolarHBondContact O-N 2.62Å |
| 194 | S | 22.4 | Very low | 25 | Very low | 114 Ų | 114 | 117.3 Ų | 117.3 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | | | trans | -64.9 | 82.8 | 173.7 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | A192 N196 | A192-S194 PolarHBondContact O-N 2.74Å; S194-N196 VanDerWaalsContact C-N 3.26Å; S194-N196 PolarHBondContact O-N 2.81Å |
| 195 | F | 24.8 | Very low | 25 | Very low | 166 Ų | 166 | 126 Ų | 126 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | trans | -62.1 | 100.2 | 161.2 | -69.6 | -78.8 | 0 | 0 | 0 | 106 | N193 S197 | N193-F195 HydrophobicContact CB-CD2 4.25Å; N193-F195 HydrophobicContact CB-CE2 3.86Å; N193-F195 HydrophobicContact CB-CZ 4.46Å; N193-F195 VanDerWaalsContact O-CD2 3.32Å; N193-F195 WeakPolarHBondContact O-CD2 2.91Å; N193-F195 PolarHBondContact O-N 2.62Å; F195-S197 VanDerWaalsContact C-N 3.26Å; F195-S197 PolarHBondContact O-N 2.86Å; F195-S197 PolarHBondContact O-OG 3.43Å |
| 196 | N | 22.8 | Very low | 24.9 | Very low | 139 Ų | 139 | 121 Ų | 121 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | -49.4 | 96.8 | 167.3 | -177.7 | 1 | 0 | 0 | 0 | 107.2 | S194 A198 | S194-N196 VanDerWaalsContact C-N 3.26Å; S194-N196 PolarHBondContact O-N 2.81Å; N196-A198 PolarHBondContact O-N 3.48Å; N196-A198 VanDerWaalsContact OD1-CB 3.23Å; N196-A198 WeakPolarHBondContact OD1-CB 3.22Å |
| 197 | S | 23.5 | Very low | 24.7 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | -75.5 | 29.6 | -174.3 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | F195 C199 | F195-S197 VanDerWaalsContact C-N 3.26Å; F195-S197 PolarHBondContact O-N 2.86Å; F195-S197 PolarHBondContact O-OG 3.43Å; S197-C199 VanDerWaalsContact C-N 3.25Å; S197-C199 PolarHBondContact O-N 3.47Å |
| 198 | A | 23.7 | Very low | 24.8 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | | | trans | -84 | 7.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N196 P200 | N196-A198 PolarHBondContact O-N 3.48Å; N196-A198 VanDerWaalsContact OD1-CB 3.23Å; N196-A198 WeakPolarHBondContact OD1-CB 3.22Å; A198-P200 VanDerWaalsContact O-CD 3.29Å; A198-P200 WeakPolarHBondContact O-CD 3.01Å |
| 199 | C | 22.1 | Very low | 24.8 | Very low | 101 Ų | 101 | 114.6 Ų | 114.6 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -92.5 | 104.9 | 158.8 | -62.8 | 0 | 0 | 0 | 0 | 106.7 | S197 S201 | S197-C199 VanDerWaalsContact C-N 3.25Å; S197-C199 PolarHBondContact O-N 3.47Å; C199-S201 VanDerWaalsContact C-N 3.35Å; C199-S201 PolarHBondContact O-N 2.6Å |
| 200 | P | 24.8 | Very low | 25.1 | Very low | 112 Ų | 112 | 113.2 Ų | 113.2 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | -57.1 | 107 | 170.5 | 22.8 | -30.5 | 0 | 0 | 0 | 107.2 | A198 V202 | A198-P200 VanDerWaalsContact O-CD 3.29Å; A198-P200 WeakPolarHBondContact O-CD 3.01Å; P200-V202 VanDerWaalsContact C-N 3.35Å; P200-V202 PolarHBondContact O-N 2.81Å |
| 201 | S | 24.7 | Very low | 25.1 | Very low | 100 Ų | 100 | 113.4 Ų | 113.4 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | | | trans | -38.2 | 111.3 | 145.2 | 162 | 0 | 0 | 0 | 0 | 105.4 | C199 A203 | C199-S201 VanDerWaalsContact C-N 3.35Å; C199-S201 PolarHBondContact O-N 2.6Å; S201-A203 PolarHBondContact O-N 2.53Å |
| 202 | V | 26.5 | Very low | 25.4 | Very low | 143 Ų | 143 | 113.2 Ų | 113.2 | 87% | 0.867 | 72% | 0.717 | S | S | * | * | | | trans | -62.9 | 86.9 | 168.3 | 175.5 | 0 | 0 | 0 | 0 | 103.9 | P200 A204 | P200-V202 VanDerWaalsContact C-N 3.35Å; P200-V202 PolarHBondContact O-N 2.81Å; V202-A204 PolarHBondContact O-N 2.92Å; V202-A204 VanDerWaalsContact O-N 3.13Å |
| 203 | A | 25.4 | Very low | 25.7 | Very low | 73 Ų | 73 | 109.8 Ų | 109.8 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | | | trans | -57.9 | 122.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 107 | S201 Y205 | S201-A203 PolarHBondContact O-N 2.53Å; A203-Y205 PolarHBondContact O-N 3.35Å; A203-Y205 VanDerWaalsContact O-N 3.16Å |
| 204 | A | 25 | Very low | 25.6 | Very low | 90 Ų | 90 | 107.6 Ų | 107.6 | 74% | 0.744 | 69% | 0.685 | S | S | * | * | | | trans | 6.4 | 104.2 | 131.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V202 G206 | V202-A204 PolarHBondContact O-N 2.92Å; V202-A204 VanDerWaalsContact O-N 3.13Å; A204-G206 PolarHBondContact O-N 2.9Å |
| 205 | Y | 26.5 | Very low | 25.9 | Very low | 244 Ų | 244 | 106.9 Ų | 106.9 | 96% | 0.957 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -26 | 110.6 | 168.7 | -80.9 | -97.2 | 0 | 0 | 0 | 112.4 | A203 | A203-Y205 PolarHBondContact O-N 3.35Å; A203-Y205 VanDerWaalsContact O-N 3.16Å |
| 206 | G | 24.7 | Very low | 26 | Very low | 67 Ų | 67 | 102.3 Ų | 102.3 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | | | trans | 79.8 | 78.5 | 152 | 0 | 0 | 0 | 0 | 0 | 117.1 | A204 | A204-G206 PolarHBondContact O-N 2.9Š|
| 207 | H | 24.2 | Very low | 26.1 | Very low | 188 Ų | 188 | 99 Ų | 99 | 87% | 0.87 | 66% | 0.664 | S | S | * | * | | | trans | -156.7 | 92.3 | 138.5 | -125.9 | -83.3 | 0 | 0 | 0 | 109.8 | | |
| 208 | L | 26.4 | Very low | 26.3 | Very low | 126 Ų | 126 | 100.5 Ų | 100.5 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | | | trans | -69.4 | 138.3 | 168.4 | -84.8 | 109 | 0 | 0 | 0 | 109.6 | A210 | L208-A210 PolarHBondContact O-N 2.69Š|
| 209 | P | 27.4 | Very low | 26.4 | Very low | 94 Ų | 94 | 99.1 Ų | 99.1 | 61% | 0.61 | 66% | 0.657 | S | S | * | * | | | trans | -64.5 | 126.9 | 175.5 | 23 | -29.9 | 0 | 0 | 0 | 111.1 | A211 A212 A213 | P209-A211 PolarHBondContact O-N 3.48Å; P209-A212 PolarHBondContact O-N 2.9Å; P209-A213 PolarHBondContact O-N 2.96Å |
| 210 | A | 31.2 | Very low | 26.6 | Very low | 85 Ų | 85 | 101.7 Ų | 101.7 | 70% | 0.702 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -9.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L208 | L208-A210 PolarHBondContact O-N 2.69Š|
| 211 | A | 27.4 | Very low | 26.5 | Very low | 100 Ų | 100 | 98.9 Ų | 98.9 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -14.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P209 | P209-A211 PolarHBondContact O-N 3.48Š|
| 212 | A | 30.2 | Very low | 26.5 | Very low | 54 Ų | 54 | 105.4 Ų | 105.4 | 45% | 0.446 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | -12.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P209 A214 A216 | P209-A212 PolarHBondContact O-N 2.9Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A216 VanDerWaalsContact O-CB 3.22Å; A212-A216 WeakPolarHBondContact O-CB 3.28Å; A212-A216 PolarHBondContact O-N 3.02Å |
| 213 | A | 28.9 | Very low | 26.3 | Very low | 23 Ų | 23 | 101.8 Ų | 101.8 | 19% | 0.19 | 66% | 0.657 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | 4.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | P209 V217 A219 | P209-A213 PolarHBondContact O-N 2.96Å; A213-V217 CarbonylContact C-O 2.84Å; A213-V217 CarbonylContact O-C 3.37Å; A213-V217 WeakPolarHBondContact O-CA 3.23Å; A213-V217 VanDerWaalsContact O-CB 3.27Å; A213-V217 WeakPolarHBondContact O-CB 3.29Å; A213-V217 PolarHBondContact O-N 3.13Å; A213-A219 WeakPolarHBondContact O-CA 3.03Å; A213-A219 WeakPolarHBondContact O-CB 3.38Å; A213-A219 PolarHBondContact O-N 3.05Å |
| 214 | A | 25.1 | Very low | 26.3 | Very low | 58 Ų | 58 | 106.3 Ų | 106.3 | 48% | 0.479 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | -3.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A212 V217 A219 | A212-A214 VanDerWaalsContact C-N 3.31Å; A214-V217 CarbonylContact C-O 2.89Å; A214-V217 WeakPolarHBondContact CA-O 3.47Å; A214-A219 HydrophobicContact CB-CB 3.98Å |
| 215 | A | 28.8 | Very low | 26.2 | Very low | 100 Ų | 100 | 110.2 Ų | 110.2 | 83% | 0.826 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -14.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V217 | A215-V217 PolarHBondContact N-O 3.16Š|
| 216 | A | 26.5 | Very low | 26 | Very low | 69 Ų | 69 | 102 Ų | 102 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -104.2 | 7.4 | 169 | 0 | 0 | 0 | 0 | 0 | 114.6 | A212 | A212-A216 VanDerWaalsContact O-CB 3.22Å; A212-A216 WeakPolarHBondContact O-CB 3.28Å; A212-A216 PolarHBondContact O-N 3.02Å |
| 217 | V | 25.7 | Very low | 25.9 | Very low | 71 Ų | 71 | 106.7 Ų | 106.7 | 43% | 0.43 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -143.6 | 157.8 | 139.9 | -173.8 | 0 | 0 | 0 | 0 | 100.7 | A213 A214 A215 A219 | A213-V217 CarbonylContact C-O 2.84Å; A213-V217 CarbonylContact O-C 3.37Å; A213-V217 WeakPolarHBondContact O-CA 3.23Å; A213-V217 VanDerWaalsContact O-CB 3.27Å; A213-V217 WeakPolarHBondContact O-CB 3.29Å; A213-V217 PolarHBondContact O-N 3.13Å; A214-V217 CarbonylContact C-O 2.89Å; A214-V217 WeakPolarHBondContact CA-O 3.47Å; A215-V217 PolarHBondContact N-O 3.16Å; V217-A219 PolarHBondContact O-N 3.48Å |
| 218 | T | 26.8 | Very low | 25.9 | Very low | 141 Ų | 141 | 105.5 Ų | 105.5 | 87% | 0.865 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -69.3 | 80.9 | 142.3 | -61.5 | 0 | 0 | 0 | 0 | 104.1 | N220 | T218-N220 PolarHBondContact O-N 3Š|
| 219 | A | 26.5 | Very low | 25.9 | Very low | 43 Ų | 43 | 105.2 Ų | 105.2 | 36% | 0.355 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -13.3 | 106.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | A213 A214 V217 | A213-A219 WeakPolarHBondContact O-CA 3.03Å; A213-A219 WeakPolarHBondContact O-CB 3.38Å; A213-A219 PolarHBondContact O-N 3.05Å; A214-A219 HydrophobicContact CB-CB 3.98Å; V217-A219 PolarHBondContact O-N 3.48Å |
| 220 | N | 27 | Very low | 25.7 | Very low | 155 Ų | 155 | 105.3 Ų | 105.3 | 83% | 0.829 | 67% | 0.667 | S | S | * | * | | | trans | 80.8 | 71.6 | 164 | -56.2 | -62.2 | 0 | 0 | 0 | 117.2 | T218 | T218-N220 PolarHBondContact O-N 3Š|
| 221 | G | 21.7 | Very low | 25.2 | Very low | 52 Ų | 52 | 107.6 Ų | 107.6 | 54% | 0.536 | 67% | 0.665 | S | S | . | * | | | trans | -99.9 | 93.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 222 | Y | 23.8 | Very low | 25.2 | Very low | 238 Ų | 238 | 107.3 Ų | 107.3 | 93% | 0.933 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 65 | 120.8 | 162.7 | -51.4 | -85.4 | 0 | 0 | 0 | 116.8 | | |
| 223 | G | 23.7 | Very low | 24.9 | Very low | 66 Ų | 66 | 112.7 Ų | 112.7 | 68% | 0.68 | 66% | 0.663 | S | S | * | * | | | cis | 167.5 | 91.3 | 9.8 | 0 | 0 | 0 | 0 | 0 | 104.5 | Q225 | G223-Q225 PolarHBondContact O-N 3.4Š|
| 224 | N | 25.2 | Very low | 24.8 | Very low | 169 Ų | 169 | 116.1 Ų | 116.1 | 90% | 0.904 | 69% | 0.691 | S | S | * | * | | | trans | -76.5 | 81.6 | 173.5 | -148.5 | -21.8 | 0 | 0 | 0 | 106.5 | A226 | N224-A226 PolarHBondContact O-N 3.45Š|
| 225 | Q | 22 | Very low | 25.1 | Very low | 171 Ų | 171 | 118 Ų | 118 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | | | trans | -59.7 | 93.6 | 160.5 | -90.1 | 176.6 | -72 | 0 | 0 | 106.6 | G223 H227 | G223-Q225 PolarHBondContact O-N 3.4Å; Q225-H227 PolarHBondContact O-N 3Å |
| 226 | A | 23.9 | Very low | 25.4 | Very low | 73 Ų | 73 | 119.5 Ų | 119.5 | 60% | 0.603 | 70% | 0.702 | S | S | * | * | | | trans | -43.7 | 134.3 | 149 | 0 | 0 | 0 | 0 | 0 | 108.1 | N224 | N224-A226 PolarHBondContact O-N 3.45Š|
| 227 | H | 22.1 | Very low | 25.3 | Very low | 164 Ų | 164 | 118.9 Ų | 118.9 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | | | trans | 94.7 | 81.7 | 173.7 | -55.2 | -158.2 | 0 | 0 | 0 | 115.2 | Q225 | Q225-H227 PolarHBondContact O-N 3Š|
| 228 | Q | 24 | Very low | 25.3 | Very low | 163 Ų | 163 | 122.5 Ų | 122.5 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | trans | -119.1 | 74.2 | 141.9 | -67.7 | -68.4 | -26.6 | 0 | 0 | 107.5 | S230 | Q228-S230 PolarHBondContact O-N 3.42Š|
| 229 | S | 25.1 | Very low | 25.3 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | | | trans | -71.9 | 77.2 | 158.9 | -60.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 230 | S | 24.9 | Very low | 25.5 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | | | trans | -107 | 97.1 | 163.4 | 48.4 | 0 | 0 | 0 | 0 | 108.5 | Q228 | Q228-S230 PolarHBondContact O-N 3.42Š|
| 231 | M | 20.6 | Very low | 25.5 | Very low | 134 Ų | 134 | 125 Ų | 125 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | | | trans | -58.8 | 151.9 | 156.1 | -75.4 | -173.2 | -82.8 | 0 | 0 | 109.5 | C263 | M231-C263 HydrophobicContact SD-CB 4.09Š|
| 232 | L | 25.9 | Very low | 25.8 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 49% | 0.487 | 76% | 0.76 | S | S | . | * | S | Bend | trans | 88.5 | 109.1 | 160.1 | -63.9 | 135.3 | 0 | 0 | 0 | 118.1 | C263 | L232-C263 WeakPolarHBondContact CD2-O 3.35Å; L232-C263 HydrophobicContact CG-CB 4.43Å |
| 233 | F | 25.1 | Very low | 26 | Very low | 168 Ų | 168 | 118.4 Ų | 118.4 | 74% | 0.737 | 73% | 0.728 | S | S | * | * | | | trans | 53.9 | 61.5 | 144.5 | -57.4 | -68.5 | 0 | 0 | 0 | 118.7 | | |
| 234 | A | 25.7 | Very low | 26.2 | Very low | 94 Ų | 94 | 120 Ų | 120 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | | | trans | -117.2 | 105.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 235 | S | 32.3 | Very low | 26.4 | Very low | 97 Ų | 97 | 118 Ų | 118 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | | | trans | -56.9 | 157.5 | 138.9 | -135.3 | 0 | 0 | 0 | 0 | 106.3 | G237 | S235-G237 PolarHBondContact OG-N 2.93Š|
| 236 | P | 34.6 | Very low | 26.7 | Very low | 133 Ų | 133 | 115 Ų | 115 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | S | Bend | | -143.7 | 94.6 | 60.9 | 23.4 | 2.1 | 0 | 0 | 0 | 113.5 | | |
| 237 | G | 25.7 | Very low | 26.9 | Very low | 56 Ų | 56 | 117.8 Ų | 117.8 | 58% | 0.577 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 131.6 | 35.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | S235 | S235-G237 PolarHBondContact OG-N 2.93Š|
| 238 | V | 24.4 | Very low | 27.1 | Very low | 147 Ų | 147 | 116.8 Ų | 116.8 | 89% | 0.891 | 71% | 0.708 | S | S | * | * | | | trans | 37.5 | 92.4 | 161.8 | -89.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 239 | A | 26.9 | Very low | 27.4 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 88% | 0.876 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -80 | 127.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 240 | A | 31 | Very low | 27.8 | Very low | 105 Ų | 105 | 114 Ų | 114 | 87% | 0.868 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 127.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 241 | Q | 27.4 | Very low | 28 | Very low | 180 Ų | 180 | 112.8 Ų | 112.8 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 117.1 | 165.2 | -163.3 | 167.8 | 9.3 | 0 | 0 | 108.9 | | |
| 242 | S | 28 | Very low | 28.5 | Very low | 109 Ų | 109 | 109.8 Ų | 109.8 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.2 | 179.1 | 43.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 243 | V | 26.6 | Very low | 28.6 | Very low | 43 Ų | 43 | 112.9 Ų | 112.9 | 26% | 0.261 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -98.2 | 122.2 | 177.5 | -150.1 | 0 | 0 | 0 | 0 | 109.2 | S97 T245 Y256 | S97-V243 WeakPolarHBondContact OG-CG1 3.3Å; V243-T245 PolarHBondContact O-N 2.83Å; V243-Y256 HydrophobicContact CB-CD1 4.48Å; V243-Y256 HydrophobicContact CG2-CD1 4.06Å |
| 244 | P | 28.1 | Very low | 29 | Very low | 99 Ų | 99 | 109.4 Ų | 109.4 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 120.2 | -178.7 | 28.1 | -32.2 | 0 | 0 | 0 | 111 | A95 Q246 | A95-P244 WeakPolarHBondContact CB-O 3.41Å; P244-Q246 PolarHBondContact O-N 3.02Å |
| 245 | T | 30.3 | Very low | 29.5 | Very low | 127 Ų | 127 | 107.7 Ų | 107.7 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | | | trans | -46.8 | 107.1 | 161.7 | -4 | 0 | 0 | 0 | 0 | 108.8 | V243 | V243-T245 PolarHBondContact O-N 2.83Š|
| 246 | Q | 27.5 | Very low | 29.5 | Very low | 107 Ų | 107 | 111.3 Ų | 111.3 | 50% | 0.5 | 69% | 0.69 | S | S | . | * | | | trans | -72.2 | 132 | 179.3 | -76.4 | 168.8 | -6.2 | 0 | 0 | 107.1 | S94 A95 P244 | S94-Q246 VanDerWaalsContact C-CB 3.49Å; S94-Q246 VanDerWaalsContact CB-O 3.29Å; S94-Q246 WeakPolarHBondContact CB-O 3.41Å; S94-Q246 PolarHBondContact O-N 3.43Å; A95-Q246 HydrophobicContact CB-CB 4.36Å; A95-Q246 HydrophobicContact CB-CG 4.24Å; P244-Q246 PolarHBondContact O-N 3.02Å |
| 247 | L | 27.7 | Very low | 29.4 | Very low | 133 Ų | 133 | 105.9 Ų | 105.9 | 70% | 0.696 | 66% | 0.656 | S | S | * | * | | | trans | -84 | 123.8 | 169.8 | -175.3 | 66.7 | 0 | 0 | 0 | 107.3 | | |
| 248 | M | 27.1 | Very low | 29.6 | Very low | 143 Ų | 143 | 109.5 Ų | 109.5 | 70% | 0.704 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 61.9 | 108.8 | 157.5 | -67.4 | -163.1 | -86.6 | 0 | 0 | 119.1 | | |
| 249 | G | 31.5 | Very low | 30 | Very low | 59 Ų | 59 | 106.3 Ų | 106.3 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | | | | 102.6 | 10.6 | 112.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 250 | L | 33.3 | Very low | 30.1 | Very low | 166 Ų | 166 | 105.6 Ų | 105.6 | 87% | 0.869 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -134.5 | 103.8 | 171.4 | -72 | 167.2 | 0 | 0 | 0 | 111.1 | | |
| 251 | G | 29.4 | Very low | 29.9 | Very low | 69 Ų | 69 | 110.7 Ų | 110.7 | 71% | 0.711 | 62% | 0.615 | S | S | * | * | | | trans | 58.4 | 82.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | Y253 | G251-Y253 PolarHBondContact O-N 3.2Å; G251-Y253 VanDerWaalsContact O-N 3.17Å |
| 252 | G | 29.6 | Very low | 29.9 | Very low | 72 Ų | 72 | 106.1 Ų | 106.1 | 74% | 0.742 | 60% | 0.603 | S | S | * | * | | | | 55.2 | 45.9 | 126 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 253 | Y | 28.5 | Very low | 29.9 | Very low | 158 Ų | 158 | 103.9 Ų | 103.9 | 62% | 0.62 | 59% | 0.587 | S | S | * | * | | | trans | -123.9 | 132.8 | 160.4 | -78.8 | -65.9 | 0 | 0 | 0 | 113 | S96 Y98 G251 | S96-Y253 VanDerWaalsContact CB-CB 3.46Å; S96-Y253 WeakPolarHBondContact CB-O 3.36Å; Y98-Y253 AromaticContact CZ-CD1 3.97Å; Y98-Y253 WeakPolarHBondContact OH-CD1 3.08Å; Y98-Y253 WeakPolarHBondContact OH-CE1 3.2Å; Y98-Y253 VanDerWaalsContact OH-CG 3.23Å; Y98-Y253 VanDerWaalsContact OH-CZ 3.3Å; G251-Y253 PolarHBondContact O-N 3.2Å; G251-Y253 VanDerWaalsContact O-N 3.17Å |
| 254 | P | 32.9 | Very low | 30.2 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | | | trans | -79.5 | 131.8 | -169.8 | 30.9 | -33.6 | 0 | 0 | 0 | 112.3 | S96 | S96-P254 WeakPolarHBondContact CB-O 3.33Å; S96-P254 PolarHBondContact OG-O 3.43Å |
| 255 | P | 36.2 | Very low | 30.3 | Very low | 59 Ų | 59 | 115.3 Ų | 115.3 | 38% | 0.383 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -60.6 | 154.1 | -166.7 | 29 | -35.2 | 0 | 0 | 0 | 112.8 | A95 | A95-P255 HydrophobicContact CB-CB 3.9Å; A95-P255 CarbonylContact O-C 3.54Å; A95-P255 WeakPolarHBondContact O-CA 3.28Å; A95-P255 WeakPolarHBondContact O-CB 3.04Å |
| 256 | Y | 33.3 | Very low | 30.3 | Very low | 173 Ų | 173 | 114.7 Ų | 114.7 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | | | trans | 80.1 | 90.1 | 178.9 | -33.7 | -67.9 | 0 | 0 | 0 | 117 | A95 V243 | A95-Y256 PolarHBondContact O-N 2.79Å; V243-Y256 HydrophobicContact CB-CD1 4.48Å; V243-Y256 HydrophobicContact CG2-CD1 4.06Å |
| 257 | A | 32.3 | Very low | 30.4 | Very low | 19 Ų | 19 | 115.1 Ų | 115.1 | 16% | 0.157 | 63% | 0.627 | C | S | . | * | | | trans | -145.6 | 145 | 136.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | S97 Y98 | S97-A257 CarbonylContact C-O 3.55Å; S97-A257 WeakPolarHBondContact CA-O 3.39Å; S97-A257 WeakPolarHBondContact CB-O 3.29Å; S97-A257 CarbonylContact O-C 3.59Å; S97-A257 VanDerWaalsContact O-C 3.27Å; S97-A257 WeakPolarHBondContact O-CA 2.78Å; S97-A257 WeakPolarHBondContact O-CB 3.29Å; S97-A257 PolarHBondContact O-N 2.92Å; S97-A257 PolarHBondContact OG-O 3.45Å; Y98-A257 CarbonylContact C-O 2.79Å; Y98-A257 PolarHBondContact N-O 2.92Å; Y98-A257 CarbonylContact O-C 2.69Å |
| 258 | W | 30.7 | Very low | 30.6 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 50% | 0.496 | 62% | 0.623 | S | S | . | * | | | trans | -124.2 | 104.8 | -163.2 | 32.7 | -85.3 | 0 | 0 | 0 | 106.3 | Y98 T99 S260 | Y98-W258 CarbonylContact O-C 3.27Å; Y98-W258 WeakPolarHBondContact O-CA 3.32Å; Y98-W258 PolarHBondContact O-N 3.22Å; T99-W258 VanDerWaalsContact CB-C 3.48Å; T99-W258 WeakPolarHBondContact CB-O 2.89Å; T99-W258 CarbonylContact O-C 3.39Å; T99-W258 PolarHBondContact O-N 2.84Å; T99-W258 VanDerWaalsContact O-O 3.05Å; T99-W258 PolarHBondContact OG1-O 3.35Å; W258-S260 PolarHBondContact O-N 2.88Å |
| 259 | I | 32.5 | Very low | 30.8 | Very low | 81 Ų | 81 | 112.3 Ų | 112.3 | 42% | 0.415 | 62% | 0.618 | S | S | . | * | | | trans | -79.5 | 80.5 | -177.5 | -76.9 | 138 | 0 | 0 | 0 | 105.6 | Y98 T99 R261 | Y98-I259 VanDerWaalsContact CB-CD1 3.41Å; Y98-I259 VanDerWaalsContact O-CA 3.3Å; Y98-I259 WeakPolarHBondContact O-CA 3.22Å; Y98-I259 WeakPolarHBondContact O-CB 3.34Å; Y98-I259 WeakPolarHBondContact O-CD1 3.27Å; Y98-I259 WeakPolarHBondContact O-CG1 3.04Å; Y98-I259 PolarHBondContact O-N 2.99Å; T99-I259 VanDerWaalsContact CG2-CA 3.47Å; T99-I259 HydrophobicContact CG2-CB 3.49Å; T99-I259 VanDerWaalsContact CG2-CB 3.49Å; T99-I259 HydrophobicContact CG2-CD1 4.38Å; T99-I259 HydrophobicContact CG2-CG1 2.99Å; T99-I259 HydrophobicContact CG2-CG2 3.75Å; T99-I259 WeakPolarHBondContact OG1-CA 3.36Å; I259-R261 VanDerWaalsContact C-N 3.3Å; I259-R261 HydrophobicContact CG2-CB 4.12Å; I259-R261 HydrophobicContact CG2-CG 3.35Å; I259-R261 VanDerWaalsContact CG2-NE 3.32Å; I259-R261 PolarHBondContact O-N 3.35Å |
| 260 | S | 27.4 | Very low | 30.7 | Very low | 90 Ų | 90 | 115.8 Ų | 115.8 | 63% | 0.629 | 62% | 0.619 | S | S | * | * | | | trans | -64.7 | 94.5 | 158 | -67.1 | 0 | 0 | 0 | 0 | 108 | W258 | W258-S260 PolarHBondContact O-N 2.88Š|
| 261 | R | 26.8 | Very low | 30.6 | Very low | 212 Ų | 212 | 112.2 Ų | 112.2 | 80% | 0.8 | 60% | 0.601 | S | S | * | * | | | trans | -109.1 | 114.2 | 168.6 | -85.9 | 168.8 | 179.6 | -134.2 | -1.9 | 108.4 | I259 | I259-R261 VanDerWaalsContact C-N 3.3Å; I259-R261 HydrophobicContact CG2-CB 4.12Å; I259-R261 HydrophobicContact CG2-CG 3.35Å; I259-R261 VanDerWaalsContact CG2-NE 3.32Å; I259-R261 PolarHBondContact O-N 3.35Å |
| 262 | S | 29 | Very low | 30.7 | Very low | 84 Ų | 84 | 115.5 Ų | 115.5 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | | | trans | -135.1 | 93.5 | 165.3 | -53.9 | 0 | 0 | 0 | 0 | 106.1 | | |
| 263 | C | 26.9 | Very low | 30.7 | Very low | 63 Ų | 63 | 119.2 Ų | 119.2 | 43% | 0.426 | 58% | 0.58 | S | S | . | * | | | | 92.4 | 111.3 | 92.9 | -73.5 | 0 | 0 | 0 | 0 | 111.7 | M231 L232 | M231-C263 HydrophobicContact SD-CB 4.09Å; L232-C263 WeakPolarHBondContact CD2-O 3.35Å; L232-C263 HydrophobicContact CG-CB 4.43Å |
| 264 | K | 32.6 | Very low | 31 | Very low | 266 Ų | 266 | 115.6 Ų | 115.6 | 100% | 1.157 | 58% | 0.576 | S | S | * | * | | | trans | 40.1 | 0 | 162.2 | -101.9 | 169.9 | 176.5 | 164.8 | 0 | 120.4 | | |