| 1 | M | 46 | Very low | 47.6 | Very low | 222 Ų | 222 | 138.3 Ų | 138.3 | 100% | 1.094 | 80% | 0.801 | S | S | * | * | | | | 0 | 86.7 | 0 | -86.1 | 147.4 | 158.8 | 0 | 0 | 105.9 | | |
| 2 | D | 44.7 | Very low | 48 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | | | cis | -157.2 | 120.8 | 23.1 | -82.1 | -109.2 | 0 | 0 | 0 | 103.5 | | |
| 3 | E | 57.1 | Low | 47.7 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | | 32.5 | 107.5 | 77.4 | -63.2 | -174.8 | 125.7 | 0 | 0 | 110.9 | | |
| 4 | E | 53.8 | Low | 48.2 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | | 166.2 | 139.1 | 80.5 | -169.2 | 153.7 | 87.2 | 0 | 0 | 106.3 | | |
| 5 | E | 52.9 | Low | 48.4 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | | 135 | 152.9 | 108 | -141.1 | -165.5 | 96.3 | 0 | 0 | 104.1 | | |
| 6 | D | 48.4 | Very low | 48.3 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | cis | -170.8 | 163.2 | 21 | -178.2 | -126.8 | 0 | 0 | 0 | 106.8 | | |
| 7 | G | 41.4 | Very low | 49.1 | Very low | 55 Ų | 55 | 139.4 Ų | 139.4 | 57% | 0.567 | 79% | 0.786 | S | S | * | * | | | trans | 124.2 | 78.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 8 | A | 46.8 | Very low | 49.8 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | 40.6 | 118.5 | 131.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 9 | G | 39.8 | Very low | 50.2 | Low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | | | trans | -170.4 | 84 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 10 | A | 44.5 | Very low | 50.7 | Low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | trans | 58.3 | 101.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 11 | E | 48.5 | Very low | 51.5 | Low | 178 Ų | 178 | 142.9 Ų | 142.9 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | | 41 | 115.5 | 109.3 | -49.9 | -66.3 | 84 | 0 | 0 | 116.9 | | |
| 12 | E | 52.6 | Low | 52.2 | Low | 186 Ų | 186 | 138.8 Ų | 138.8 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | | | trans | 37.3 | 99.6 | 136.1 | -161.4 | -165.3 | 101.9 | 0 | 0 | 117 | | |
| 13 | S | 44.2 | Very low | 52.9 | Low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -130.3 | 90.5 | 146 | -145.9 | 0 | 0 | 0 | 0 | 108.8 | Q15 | S13-Q15 PolarHBondContact O-N 2.92Š|
| 14 | G | 54.3 | Low | 53.4 | Low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | | | trans | -63.2 | 70.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P16 | G14-P16 WeakPolarHBondContact O-CD 3.4Š|
| 15 | Q | 51.5 | Low | 53.5 | Low | 144 Ų | 144 | 137.1 Ų | 137.1 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | | | trans | -86.5 | 106.8 | 173.9 | -158.4 | 94.6 | 10.6 | 0 | 0 | 107.8 | S13 R17 | S13-Q15 PolarHBondContact O-N 2.92Å; Q15-R17 PolarHBondContact O-N 3.47Å |
| 16 | P | 47.1 | Very low | 54 | Low | 96 Ų | 96 | 135.2 Ų | 135.2 | 62% | 0.623 | 77% | 0.765 | S | S | * | * | | | trans | -59.9 | 117.1 | 172.2 | 24.1 | -32.6 | 0 | 0 | 0 | 109.4 | G14 S18 | G14-P16 WeakPolarHBondContact O-CD 3.4Å; P16-S18 VanDerWaalsContact C-N 3.31Å; P16-S18 PolarHBondContact O-N 3.45Å |
| 17 | R | 61.7 | Low | 54.1 | Low | 251 Ų | 251 | 131.2 Ų | 131.2 | 95% | 0.947 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 82.1 | 170.5 | -70.2 | 170.7 | 130.5 | -179.2 | -1.9 | 109.9 | Q15 | Q15-R17 PolarHBondContact O-N 3.47Š|
| 18 | S | 62 | Low | 54.8 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.5 | -19.8 | 162.9 | 54 | 0 | 0 | 0 | 0 | 116.7 | P16 M20 | P16-S18 VanDerWaalsContact C-N 3.31Å; P16-S18 PolarHBondContact O-N 3.45Å; S18-M20 PolarHBondContact O-N 3.21Å |
| 19 | F | 56 | Low | 54.9 | Low | 162 Ų | 162 | 132.6 Ų | 132.6 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -100.9 | 93.9 | -178.4 | 116.3 | -92.1 | 0 | 0 | 0 | 110.8 | | |
| 20 | M | 60.4 | Low | 55.5 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 57% | 0.571 | 77% | 0.773 | S | S | * | * | | | trans | 49.4 | 82 | 150.5 | -55 | -159.1 | -180 | 0 | 0 | 117.6 | S18 L22 F62 | S18-M20 PolarHBondContact O-N 3.21Å; M20-L22 HydrophobicContact CB-CD1 4.3Å; M20-L22 HydrophobicContact CG-CD1 4.5Å; M20-L22 PolarHBondContact O-N 2.82Å; M20-L22 HydrophobicContact SD-CD1 3.98Å; M20-F62 HydrophobicContact CE-CZ 4.48Å |
| 21 | R | 67.9 | Low | 55.9 | Low | 240 Ų | 240 | 140 Ų | 140 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | | | trans | -69.9 | 80.2 | 146.1 | -87.2 | -164.5 | 176.4 | 117.4 | -0.5 | 108.6 | N23 | R21-N23 VanDerWaalsContact C-N 3.28Š|
| 22 | L | 60 | Low | 55.8 | Low | 136 Ų | 136 | 137.8 Ų | 137.8 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | | | trans | -87.4 | 1.1 | 174.1 | -136.9 | 99.1 | 0 | 0 | 0 | 112.7 | M20 | M20-L22 HydrophobicContact CB-CD1 4.3Å; M20-L22 HydrophobicContact CG-CD1 4.5Å; M20-L22 PolarHBondContact O-N 2.82Å; M20-L22 HydrophobicContact SD-CD1 3.98Å |
| 23 | N | 60.8 | Low | 56 | Low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | trans | -107.1 | 30.5 | -170.7 | -161.3 | 32.7 | 0 | 0 | 0 | 113.6 | R21 | R21-N23 VanDerWaalsContact C-N 3.28Š|
| 24 | D | 66.8 | Low | 56.3 | Low | 119 Ų | 119 | 134 Ų | 134 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | -129.7 | 45.3 | -178.5 | -134.7 | -68.1 | 0 | 0 | 0 | 112.6 | | |
| 25 | L | 56.5 | Low | 55.8 | Low | 174 Ų | 174 | 134 Ų | 134 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | | | trans | -86.1 | 12.2 | 170.2 | -67.5 | 177.3 | 0 | 0 | 0 | 113.2 | | |
| 26 | S | 62.5 | Low | 56 | Low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -100.5 | 48.2 | 173.8 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 27 | G | 51.7 | Low | 56 | Low | 59 Ų | 59 | 133.2 Ų | 133.2 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | | | trans | -119.2 | 107.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 28 | A | 55.1 | Low | 55.8 | Low | 115 Ų | 115 | 130.9 Ų | 130.9 | 95% | 0.95 | 80% | 0.8 | S | S | * | * | | | trans | -49.2 | 134.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 29 | G | 50.1 | Low | 55.5 | Low | 80 Ų | 80 | 134.6 Ų | 134.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -161.2 | 97.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 30 | G | 50.5 | Low | 54.9 | Low | 76 Ų | 76 | 133.4 Ų | 133.4 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | 91.1 | 99.1 | 146.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 31 | R | 53.3 | Low | 54.3 | Low | 244 Ų | 244 | 134.4 Ų | 134.4 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | | | trans | -58.8 | 129 | 160.9 | -61.8 | 161 | 67.6 | -150.3 | 3.1 | 109.5 | G33 | R31-G33 PolarHBondContact O-N 3.05Š|
| 32 | P | 47.9 | Very low | 53.4 | Low | 133 Ų | 133 | 125.2 Ų | 125.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -75.9 | 112.1 | 169.6 | 27.6 | -28.5 | 0 | 0 | 0 | 109.3 | | |
| 33 | G | 55.3 | Low | 53 | Low | 60 Ų | 60 | 123.1 Ų | 123.1 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | | | trans | -76.9 | 159 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111 | R31 G35 | R31-G33 PolarHBondContact O-N 3.05Å; G33-G35 PolarHBondContact O-N 2.77Å |
| 34 | P | 52 | Low | 52.5 | Low | 147 Ų | 147 | 120.7 Ų | 120.7 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -75.6 | 116.8 | -174.7 | 31.7 | -31.2 | 0 | 0 | 0 | 109.6 | | |
| 35 | G | 43.3 | Very low | 51.9 | Low | 71 Ų | 71 | 120.5 Ų | 120.5 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | -166.8 | 102.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | G33 | G33-G35 PolarHBondContact O-N 2.77Š|
| 36 | S | 55.8 | Low | 51.8 | Low | 130 Ų | 130 | 116.2 Ų | 116.2 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | -39.1 | 125.7 | -179.8 | -50.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 37 | A | 47.5 | Very low | 51.5 | Low | 93 Ų | 93 | 118 Ų | 118 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -147.7 | 102.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | K39 | A37-K39 PolarHBondContact O-N 2.91Å; A37-K39 VanDerWaalsContact O-N 3.09Å |
| 38 | E | 56.2 | Low | 51.7 | Low | 202 Ų | 202 | 117.4 Ų | 117.4 | 94% | 0.944 | 77% | 0.765 | S | S | * | * | | | trans | -51.4 | 106.5 | 167.1 | -153 | 176.4 | 95 | 0 | 0 | 109.1 | | |
| 39 | K | 55.3 | Low | 51.7 | Low | 190 Ų | 190 | 120.2 Ų | 120.2 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | | | trans | -138.5 | 103.9 | 156.8 | -76.6 | -163.7 | -175.2 | -66 | 0 | 107.1 | A37 | A37-K39 PolarHBondContact O-N 2.91Å; A37-K39 VanDerWaalsContact O-N 3.09Å |
| 40 | D | 43.9 | Very low | 52.3 | Low | 138 Ų | 138 | 119.9 Ų | 119.9 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | -0.7 | 104.6 | 153.9 | -166.6 | -105.7 | 0 | 0 | 0 | 114.6 | G42 | D40-G42 PolarHBondContact O-N 2.87Å; D40-G42 VanDerWaalsContact OD1-CA 3.27Å; D40-G42 WeakPolarHBondContact OD1-CA 3.48Å; D40-G42 PolarHBondContact OD1-N 3.47Å |
| 41 | P | 47.6 | Very low | 52.7 | Low | 137 Ų | 137 | 121.4 Ų | 121.4 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | | | trans | -80 | 52.7 | 167.9 | 34.6 | -33.1 | 0 | 0 | 0 | 109.2 | | |
| 42 | G | 50 | Low | 53.1 | Low | 47 Ų | 47 | 114.8 Ų | 114.8 | 49% | 0.485 | 73% | 0.733 | S | S | . | * | | | trans | -97.5 | 94.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D40 | D40-G42 PolarHBondContact O-N 2.87Å; D40-G42 VanDerWaalsContact OD1-CA 3.27Å; D40-G42 WeakPolarHBondContact OD1-CA 3.48Å; D40-G42 PolarHBondContact OD1-N 3.47Å |
| 43 | S | 50.9 | Low | 53.5 | Low | 91 Ų | 91 | 116.1 Ų | 116.1 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 76.3 | 61.8 | 154.7 | -150.7 | 0 | 0 | 0 | 0 | 117.5 | D45 | S43-D45 VanDerWaalsContact C-N 3.3Š|
| 44 | A | 51.1 | Low | 53.8 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -97.7 | 13.5 | 142.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 45 | D | 53.1 | Low | 54.9 | Low | 116 Ų | 116 | 114.9 Ų | 114.9 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | | | trans | -122.1 | 43.6 | -174.4 | -162.9 | -115.8 | 0 | 0 | 0 | 110.4 | S43 | S43-D45 VanDerWaalsContact C-N 3.3Š|
| 46 | S | 54.1 | Low | 56.2 | Low | 83 Ų | 83 | 115.3 Ų | 115.3 | 58% | 0.58 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -118.2 | -12.7 | 169.9 | -133.9 | 0 | 0 | 0 | 0 | 113 | | |
| 47 | E | 56.8 | Low | 57.1 | Low | 157 Ų | 157 | 112 Ų | 112 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -104.2 | 4.5 | 176.6 | -48.1 | -66.3 | 108 | 0 | 0 | 112.3 | | |
| 48 | A | 54.9 | Low | 58.1 | Low | 48 Ų | 48 | 111.5 Ų | 111.5 | 40% | 0.397 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -101.6 | -25 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G50 | A48-G50 PolarHBondContact O-N 2.88Å; A48-G50 VanDerWaalsContact O-N 3.09Å |
| 49 | E | 56 | Low | 59.2 | Low | 174 Ų | 174 | 106 Ų | 106 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -83.6 | 83.2 | 179.8 | -76.8 | -77.1 | 89.8 | 0 | 0 | 110.7 | | |
| 50 | G | 62 | Low | 60.2 | Low | 72 Ų | 72 | 100.2 Ų | 100.2 | 74% | 0.742 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 120.1 | 5.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | A48 | A48-G50 PolarHBondContact O-N 2.88Å; A48-G50 VanDerWaalsContact O-N 3.09Å |
| 51 | L | 59.1 | Low | 61.5 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | | | trans | -87.7 | 127.1 | 171.6 | -70.8 | 166.6 | 0 | 0 | 0 | 109.6 | Y53 | L51-Y53 PolarHBondContact O-N 3.36Š|
| 52 | P | 62 | Low | 62.9 | Low | 104 Ų | 104 | 99.1 Ų | 99.1 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -66.6 | 0.8 | -161.4 | 22.8 | -33.6 | 0 | 0 | 0 | 116.4 | | |
| 53 | Y | 56.8 | Low | 63.8 | Low | 161 Ų | 161 | 102.8 Ų | 102.8 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | | | trans | -154.6 | 80.6 | 177.9 | -62.5 | -76.2 | 0 | 0 | 0 | 111.7 | L51 A55 L56 A57 | L51-Y53 PolarHBondContact O-N 3.36Å; Y53-A55 PolarHBondContact O-N 3.12Å; Y53-L56 VanDerWaalsContact CB-CB 3.43Å; Y53-L56 HydrophobicContact CD2-CD2 4.26Å; Y53-L56 HydrophobicContact CG-CB 4.39Å; Y53-L56 HydrophobicContact CG-CD2 4.1Å; Y53-L56 WeakPolarHBondContact O-CB 3.39Å; Y53-L56 PolarHBondContact O-N 2.89Å; Y53-A57 PolarHBondContact O-N 2.98Å |
| 54 | P | 61.8 | Low | 64.9 | Low | 97 Ų | 97 | 103.1 Ų | 103.1 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -29.6 | -177.8 | 23.4 | -33.4 | 0 | 0 | 0 | 112.9 | L56 | P54-L56 VanDerWaalsContact C-N 3.31Å; P54-L56 PolarHBondContact O-N 3.09Å |
| 55 | A | 75.1 | Confident | 65.9 | Low | 84 Ų | 84 | 101.3 Ų | 101.3 | 69% | 0.694 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -15.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y53 P58 | Y53-A55 PolarHBondContact O-N 3.12Å; A55-P58 WeakPolarHBondContact O-CD 3.11Å; A55-P58 WeakPolarHBondContact O-CG 3.21Å |
| 56 | L | 69.4 | Low | 66.8 | Low | 81 Ų | 81 | 99.3 Ų | 99.3 | 42% | 0.424 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92 | -22.4 | -176.9 | -168 | 63.9 | 0 | 0 | 0 | 112.3 | Y53 P54 V59 V60 | Y53-L56 VanDerWaalsContact CB-CB 3.43Å; Y53-L56 HydrophobicContact CD2-CD2 4.26Å; Y53-L56 HydrophobicContact CG-CB 4.39Å; Y53-L56 HydrophobicContact CG-CD2 4.1Å; Y53-L56 WeakPolarHBondContact O-CB 3.39Å; Y53-L56 PolarHBondContact O-N 2.89Å; P54-L56 VanDerWaalsContact C-N 3.31Å; P54-L56 PolarHBondContact O-N 3.09Å; L56-V59 HydrophobicContact CD1-CB 4.33Å; L56-V59 PolarHBondContact O-N 3.03Å; L56-V59 VanDerWaalsContact O-N 3.12Å; L56-V60 HydrophobicContact CD1-CG2 4.31Å; L56-V60 HydrophobicContact CD2-CG2 4.38Å; L56-V60 HydrophobicContact CG-CG2 3.8Å; L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 2.82Å |
| 57 | A | 76.5 | Confident | 67.1 | Low | 60 Ų | 60 | 101 Ų | 101 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -50.3 | -50.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y53 V59 V60 F61 | Y53-A57 PolarHBondContact O-N 2.98Å; A57-V59 VanDerWaalsContact C-N 3.31Å; A57-V59 PolarHBondContact O-N 2.8Å; A57-V60 PolarHBondContact O-N 3.24Å; A57-F61 WeakPolarHBondContact O-CB 3.43Å; A57-F61 PolarHBondContact O-N 2.92Å |
| 58 | P | 68.5 | Low | 67.3 | Low | 83 Ų | 83 | 96.3 Ų | 96.3 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.1 | -34.3 | 178.2 | 22.9 | -33.2 | 0 | 0 | 0 | 113 | A55 F62 | A55-P58 WeakPolarHBondContact O-CD 3.11Å; A55-P58 WeakPolarHBondContact O-CG 3.21Å; P58-F62 WeakPolarHBondContact O-CB 3.18Å; P58-F62 PolarHBondContact O-N 3.44Å |
| 59 | V | 78.9 | Confident | 67.4 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 52% | 0.521 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.3 | -42.7 | -179.7 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | L56 A57 Y63 | L56-V59 HydrophobicContact CD1-CB 4.33Å; L56-V59 PolarHBondContact O-N 3.03Å; L56-V59 VanDerWaalsContact O-N 3.12Å; A57-V59 VanDerWaalsContact C-N 3.31Å; A57-V59 PolarHBondContact O-N 2.8Å; V59-Y63 WeakPolarHBondContact O-CB 3.37Å; V59-Y63 PolarHBondContact O-N 3.25Å |
| 60 | V | 75.8 | Confident | 67.6 | Low | 68 Ų | 68 | 101 Ų | 101 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71 | -43 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L56 A57 F62 Y63 L64 | L56-V60 HydrophobicContact CD1-CG2 4.31Å; L56-V60 HydrophobicContact CD2-CG2 4.38Å; L56-V60 HydrophobicContact CG-CG2 3.8Å; L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 2.82Å; A57-V60 PolarHBondContact O-N 3.24Å; V60-F62 VanDerWaalsContact C-N 3.34Å; V60-Y63 PolarHBondContact O-N 3.41Å; V60-L64 HydrophobicContact CG1-CD1 3.96Å; V60-L64 HydrophobicContact CG1-CG 4.39Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3Å; V60-L64 PolarHBondContact O-N 2.94Å |
| 61 | F | 72.2 | Confident | 67.5 | Low | 147 Ų | 147 | 101.8 Ų | 101.8 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61 | -46 | 174.6 | -175 | -100.8 | 0 | 0 | 0 | 110.5 | A57 Y63 L64 S65 | A57-F61 WeakPolarHBondContact O-CB 3.43Å; A57-F61 PolarHBondContact O-N 2.92Å; F61-Y63 VanDerWaalsContact C-N 3.34Å; F61-Y63 PolarHBondContact O-N 2.96Å; F61-L64 PolarHBondContact O-N 3.21Å; F61-S65 VanDerWaalsContact O-CB 3.29Å; F61-S65 WeakPolarHBondContact O-CB 2.93Å; F61-S65 PolarHBondContact O-N 3.28Å; F61-S65 PolarHBondContact O-OG 2.91Å |
| 62 | F | 75.2 | Confident | 67.7 | Low | 106 Ų | 106 | 98.2 Ų | 98.2 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -55 | -48.1 | 172.6 | 177.8 | -101.7 | 0 | 0 | 0 | 111.9 | M20 P58 V60 L64 S65 Q66 | M20-F62 HydrophobicContact CE-CZ 4.48Å; P58-F62 WeakPolarHBondContact O-CB 3.18Å; P58-F62 PolarHBondContact O-N 3.44Å; V60-F62 VanDerWaalsContact C-N 3.34Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 2.96Å; F62-S65 CarbonylContact O-C 3.56Å; F62-S65 PolarHBondContact O-N 3.31Å; F62-Q66 HydrophobicContact CD1-CG 4.19Å; F62-Q66 HydrophobicContact CE1-CG 4.11Å; F62-Q66 VanDerWaalsContact CE1-NE2 3.34Å; F62-Q66 HydrophobicContact CZ-CG 4.42Å; F62-Q66 WeakPolarHBondContact O-CG 3.13Å; F62-Q66 PolarHBondContact O-N 3.31Å |
| 63 | Y | 70.6 | Confident | 67.7 | Low | 123 Ų | 123 | 102.2 Ų | 102.2 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -34.9 | -179.6 | -173.3 | -116 | 0 | 0 | 0 | 114 | V59 V60 F61 R71 | V59-Y63 WeakPolarHBondContact O-CB 3.37Å; V59-Y63 PolarHBondContact O-N 3.25Å; V60-Y63 PolarHBondContact O-N 3.41Å; F61-Y63 VanDerWaalsContact C-N 3.34Å; F61-Y63 PolarHBondContact O-N 2.96Å; Y63-R71 VanDerWaalsContact CE1-NE 3.26Å; Y63-R71 PolarHBondContact OH-NH1 3.38Å |
| 64 | L | 72.4 | Confident | 68.1 | Low | 99 Ų | 99 | 97.5 Ų | 97.5 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -77.4 | -32.1 | 175.3 | -66.6 | 175 | 0 | 0 | 0 | 112.2 | V60 F61 F62 Q66 | V60-L64 HydrophobicContact CG1-CD1 3.96Å; V60-L64 HydrophobicContact CG1-CG 4.39Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3Å; V60-L64 PolarHBondContact O-N 2.94Å; F61-L64 PolarHBondContact O-N 3.21Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 2.96Å; L64-Q66 VanDerWaalsContact C-N 3.28Å |
| 65 | S | 73.6 | Confident | 68.2 | Low | 70 Ų | 70 | 96.3 Ų | 96.3 | 49% | 0.49 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.1 | -11.1 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | F61 F62 D67 | F61-S65 VanDerWaalsContact O-CB 3.29Å; F61-S65 WeakPolarHBondContact O-CB 2.93Å; F61-S65 PolarHBondContact O-N 3.28Å; F61-S65 PolarHBondContact O-OG 2.91Å; F62-S65 CarbonylContact O-C 3.56Å; F62-S65 PolarHBondContact O-N 3.31Å; S65-D67 PolarHBondContact O-N 2.91Å |
| 66 | Q | 70.7 | Confident | 67.7 | Low | 73 Ų | 73 | 101.4 Ų | 101.4 | 34% | 0.341 | 51% | 0.508 | S | S | . | . | | | trans | -71.2 | 92.6 | 174.6 | -68.7 | -105.1 | -48 | 0 | 0 | 109.7 | F62 L64 S68 | F62-Q66 HydrophobicContact CD1-CG 4.19Å; F62-Q66 HydrophobicContact CE1-CG 4.11Å; F62-Q66 VanDerWaalsContact CE1-NE2 3.34Å; F62-Q66 HydrophobicContact CZ-CG 4.42Å; F62-Q66 WeakPolarHBondContact O-CG 3.13Å; F62-Q66 PolarHBondContact O-N 3.31Å; L64-Q66 VanDerWaalsContact C-N 3.28Å; Q66-S68 PolarHBondContact O-N 2.69Å |
| 67 | D | 61.3 | Low | 67.3 | Low | 118 Ų | 118 | 100 Ų | 100 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | | | trans | -68.4 | 31.2 | 169.4 | -153.7 | -108.4 | 0 | 0 | 0 | 112.5 | S65 R69 S72 | S65-D67 PolarHBondContact O-N 2.91Å; D67-R69 PolarHBondContact O-N 3.39Å; D67-S72 VanDerWaalsContact OD2-CB 3.3Å; D67-S72 WeakPolarHBondContact OD2-CB 3.31Å |
| 68 | S | 61.8 | Low | 66.7 | Low | 60 Ų | 60 | 101.1 Ų | 101.1 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | | | trans | -64.7 | 129.4 | 168.6 | 73.9 | 0 | 0 | 0 | 0 | 107.9 | Q66 P70 R71 | Q66-S68 PolarHBondContact O-N 2.69Å; S68-P70 VanDerWaalsContact C-N 3.31Å; S68-P70 WeakPolarHBondContact O-CD 3.31Å; S68-R71 PolarHBondContact O-N 2.87Å |
| 69 | R | 56.7 | Low | 66.3 | Low | 221 Ų | 221 | 100.7 Ų | 100.7 | 83% | 0.834 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -4.3 | -161.3 | -75.1 | 172.2 | 170.6 | 168.9 | -4.7 | 118.1 | D67 | D67-R69 PolarHBondContact O-N 3.39Š|
| 70 | P | 58.7 | Low | 65.2 | Low | 99 Ų | 99 | 102.9 Ų | 102.9 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -21.7 | 165.6 | 30.1 | -33.4 | 0 | 0 | 0 | 114.1 | S68 C74 | S68-P70 VanDerWaalsContact C-N 3.31Å; S68-P70 WeakPolarHBondContact O-CD 3.31Å; P70-C74 WeakPolarHBondContact O-CB 3.3Å |
| 71 | R | 61.3 | Low | 64.2 | Low | 89 Ų | 89 | 107 Ų | 107 | 34% | 0.336 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -94.3 | -37.5 | -171.1 | -153.3 | 173.6 | 177.5 | 82.3 | 5.4 | 113.7 | Y63 S68 C74 L75 | Y63-R71 VanDerWaalsContact CE1-NE 3.26Å; Y63-R71 PolarHBondContact OH-NH1 3.38Å; S68-R71 PolarHBondContact O-N 2.87Å; R71-C74 PolarHBondContact O-N 3.27Å; R71-L75 HydrophobicContact CG-CD1 4.18Å; R71-L75 HydrophobicContact CG-CG 4.45Å; R71-L75 WeakPolarHBondContact O-CB 3.35Å; R71-L75 VanDerWaalsContact O-CG 3.3Å; R71-L75 WeakPolarHBondContact O-CG 3.24Å; R71-L75 PolarHBondContact O-N 3.47Å |
| 72 | S | 62.3 | Low | 63.4 | Low | 33 Ų | 33 | 108.5 Ų | 108.5 | 23% | 0.231 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -70.2 | -34.6 | 177.3 | 80.4 | 0 | 0 | 0 | 0 | 112.5 | D67 R76 | D67-S72 VanDerWaalsContact OD2-CB 3.3Å; D67-S72 WeakPolarHBondContact OD2-CB 3.31Å; S72-R76 WeakPolarHBondContact O-CB 3.3Å; S72-R76 VanDerWaalsContact O-CG 3.3Å; S72-R76 WeakPolarHBondContact O-CG 3.21Å; S72-R76 PolarHBondContact O-N 2.87Å |
| 73 | W | 62.7 | Low | 62.6 | Low | 188 Ų | 188 | 109.3 Ų | 109.3 | 71% | 0.712 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.9 | -46.1 | 171.8 | -175 | 75.5 | 0 | 0 | 0 | 111.4 | R76 T77 | W73-R76 PolarHBondContact O-N 2.84Å; W73-T77 HydrophobicContact CD2-CG2 4.14Å; W73-T77 HydrophobicContact CG-CG2 4.41Å; W73-T77 HydrophobicContact CZ2-CG2 4.14Å; W73-T77 VanDerWaalsContact O-CB 3.31Å; W73-T77 WeakPolarHBondContact O-CB 3.3Å; W73-T77 VanDerWaalsContact O-CG2 3.24Å; W73-T77 WeakPolarHBondContact O-CG2 3.4Å; W73-T77 PolarHBondContact O-N 2.95Å; W73-T77 PolarHBondContact O-OG1 3.5Å |
| 74 | C | 64 | Low | 61.5 | Low | 63 Ų | 63 | 105.5 Ų | 105.5 | 43% | 0.426 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 176.5 | -160.9 | 0 | 0 | 0 | 0 | 110.7 | P70 R71 R76 T77 V78 | P70-C74 WeakPolarHBondContact O-CB 3.3Å; R71-C74 PolarHBondContact O-N 3.27Å; C74-R76 PolarHBondContact O-N 3.46Å; C74-T77 WeakPolarHBondContact CA-OG1 3.4Å; C74-T77 PolarHBondContact O-N 3.3Å; C74-T77 PolarHBondContact O-OG1 2.83Å; C74-V78 WeakPolarHBondContact O-CG2 3.46Å; C74-V78 PolarHBondContact O-N 2.81Å |
| 75 | L | 65.6 | Low | 60.9 | Low | 72 Ų | 72 | 109.3 Ų | 109.3 | 38% | 0.377 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.2 | -42.5 | 178.1 | -71.1 | 171.8 | 0 | 0 | 0 | 112.7 | R71 S79 | R71-L75 HydrophobicContact CG-CD1 4.18Å; R71-L75 HydrophobicContact CG-CG 4.45Å; R71-L75 WeakPolarHBondContact O-CB 3.35Å; R71-L75 VanDerWaalsContact O-CG 3.3Å; R71-L75 WeakPolarHBondContact O-CG 3.24Å; R71-L75 PolarHBondContact O-N 3.47Å; L75-S79 WeakPolarHBondContact O-CA 3.01Å; L75-S79 WeakPolarHBondContact O-CB 3.36Å; L75-S79 PolarHBondContact O-N 3.21Å; L75-S79 PolarHBondContact O-OG 3.01Å |
| 76 | R | 63 | Low | 59.7 | Low | 191 Ų | 191 | 110.9 Ų | 110.9 | 72% | 0.721 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 174.9 | -79.5 | 174.4 | 147.9 | -144.2 | -4.3 | 112.1 | S72 W73 C74 H80 | S72-R76 WeakPolarHBondContact O-CB 3.3Å; S72-R76 VanDerWaalsContact O-CG 3.3Å; S72-R76 WeakPolarHBondContact O-CG 3.21Å; S72-R76 PolarHBondContact O-N 2.87Å; W73-R76 PolarHBondContact O-N 2.84Å; C74-R76 PolarHBondContact O-N 3.46Å; R76-H80 VanDerWaalsContact O-CB 3.27Å; R76-H80 WeakPolarHBondContact O-CB 3.29Å; R76-H80 PolarHBondContact O-CD2 3.2Å; R76-H80 VanDerWaalsContact O-CD2 3.3Å; R76-H80 PolarHBondContact O-N 2.62Å |
| 77 | T | 61.5 | Low | 58.7 | Low | 52 Ų | 52 | 112.5 Ų | 112.5 | 32% | 0.319 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.9 | -48.7 | 179.3 | 49.9 | 0 | 0 | 0 | 0 | 112.1 | W73 C74 S79 H80 Q81 | W73-T77 HydrophobicContact CD2-CG2 4.14Å; W73-T77 HydrophobicContact CG-CG2 4.41Å; W73-T77 HydrophobicContact CZ2-CG2 4.14Å; W73-T77 VanDerWaalsContact O-CB 3.31Å; W73-T77 WeakPolarHBondContact O-CB 3.3Å; W73-T77 VanDerWaalsContact O-CG2 3.24Å; W73-T77 WeakPolarHBondContact O-CG2 3.4Å; W73-T77 PolarHBondContact O-N 2.95Å; W73-T77 PolarHBondContact O-OG1 3.5Å; C74-T77 WeakPolarHBondContact CA-OG1 3.4Å; C74-T77 PolarHBondContact O-N 3.3Å; C74-T77 PolarHBondContact O-OG1 2.83Å; T77-S79 PolarHBondContact O-N 2.93Å; T77-H80 PolarHBondContact O-N 3.16Å; T77-Q81 WeakPolarHBondContact O-CG 2.95Å; T77-Q81 PolarHBondContact O-N 3.42Å |
| 78 | V | 63.3 | Low | 58.5 | Low | 83 Ų | 83 | 115.3 Ų | 115.3 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.1 | -26 | 174.5 | -75.8 | 0 | 0 | 0 | 0 | 113.7 | C74 Q81 | C74-V78 WeakPolarHBondContact O-CG2 3.46Å; C74-V78 PolarHBondContact O-N 2.81Å; V78-Q81 WeakPolarHBondContact O-CB 3.27Å; V78-Q81 PolarHBondContact O-N 3.39Å |
| 79 | S | 61 | Low | 58.1 | Low | 73 Ų | 73 | 120.2 Ų | 120.2 | 51% | 0.51 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -74.7 | -33 | 171.2 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | L75 T77 Q81 H82 V83 | L75-S79 WeakPolarHBondContact O-CA 3.01Å; L75-S79 WeakPolarHBondContact O-CB 3.36Å; L75-S79 PolarHBondContact O-N 3.21Å; L75-S79 PolarHBondContact O-OG 3.01Å; T77-S79 PolarHBondContact O-N 2.93Å; S79-Q81 VanDerWaalsContact C-N 3.25Å; S79-Q81 PolarHBondContact O-N 3.5Å; S79-H82 PolarHBondContact O-N 3.3Å; S79-H82 VanDerWaalsContact O-N 3.16Å; S79-V83 PolarHBondContact O-N 3.43Å |
| 80 | H | 56.1 | Low | 57.9 | Low | 132 Ų | 132 | 121.3 Ų | 121.3 | 61% | 0.611 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.7 | -21.1 | 167.2 | -97.4 | -94.3 | 0 | 0 | 0 | 113.2 | R76 T77 H82 V83 G84 | R76-H80 VanDerWaalsContact O-CB 3.27Å; R76-H80 WeakPolarHBondContact O-CB 3.29Å; R76-H80 PolarHBondContact O-CD2 3.2Å; R76-H80 VanDerWaalsContact O-CD2 3.3Å; R76-H80 PolarHBondContact O-N 2.62Å; T77-H80 PolarHBondContact O-N 3.16Å; H80-H82 PolarHBondContact O-N 3.37Å; H80-V83 CarbonylContact O-C 3.26Å; H80-V83 VanDerWaalsContact O-C 3.26Å; H80-V83 PolarHBondContact O-N 2.97Å; H80-G84 PolarHBondContact O-N 3.09Å |
| 81 | Q | 54.4 | Low | 57.5 | Low | 154 Ų | 154 | 122 Ų | 122 | 72% | 0.72 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -16.7 | 170.3 | -68.9 | -66.2 | 99.4 | 0 | 0 | 112.5 | T77 V78 S79 | T77-Q81 WeakPolarHBondContact O-CG 2.95Å; T77-Q81 PolarHBondContact O-N 3.42Å; V78-Q81 WeakPolarHBondContact O-CB 3.27Å; V78-Q81 PolarHBondContact O-N 3.39Å; S79-Q81 VanDerWaalsContact C-N 3.25Å; S79-Q81 PolarHBondContact O-N 3.5Å |
| 82 | H | 56.1 | Low | 57 | Low | 179 Ų | 179 | 124.4 Ų | 124.4 | 83% | 0.829 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -103.4 | -3.5 | 174.9 | -140.7 | -151.7 | 0 | 0 | 0 | 114.1 | S79 H80 | S79-H82 PolarHBondContact O-N 3.3Å; S79-H82 VanDerWaalsContact O-N 3.16Å; H80-H82 PolarHBondContact O-N 3.37Å |
| 83 | V | 58 | Low | 56.6 | Low | 124 Ų | 124 | 125.5 Ų | 125.5 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -123.8 | 67.6 | 161.8 | 168.3 | 0 | 0 | 0 | 0 | 107.5 | S79 H80 | S79-V83 PolarHBondContact O-N 3.43Å; H80-V83 CarbonylContact O-C 3.26Å; H80-V83 VanDerWaalsContact O-C 3.26Å; H80-V83 PolarHBondContact O-N 2.97Å |
| 84 | G | 47.3 | Very low | 56.4 | Low | 42 Ų | 42 | 124.4 Ų | 124.4 | 43% | 0.433 | 66% | 0.662 | S | S | . | * | | | trans | -168.4 | 75.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | H80 P86 | H80-G84 PolarHBondContact O-N 3.09Å; G84-P86 WeakPolarHBondContact O-CD 3.27Å |
| 85 | H | 59.6 | Low | 56.4 | Low | 179 Ų | 179 | 127.2 Ų | 127.2 | 83% | 0.829 | 68% | 0.677 | S | S | * | * | | | trans | -90.7 | 82.6 | 151.1 | -151.1 | -74 | 0 | 0 | 0 | 107.3 | S87 | H85-S87 PolarHBondContact O-N 3.46Š|
| 86 | P | 47.8 | Very low | 55.7 | Low | 104 Ų | 104 | 128.4 Ų | 128.4 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | | | trans | -79.9 | 111.5 | 165 | 32.6 | -30.5 | 0 | 0 | 0 | 108.2 | G84 | G84-P86 WeakPolarHBondContact O-CD 3.27Š|
| 87 | S | 50.6 | Low | 55.6 | Low | 107 Ų | 107 | 123.7 Ų | 123.7 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | | | trans | 51.1 | 82.2 | 141.3 | -59.5 | 0 | 0 | 0 | 0 | 117.5 | H85 | H85-S87 PolarHBondContact O-N 3.46Š|
| 88 | Q | 57.4 | Low | 55.4 | Low | 177 Ų | 177 | 130.1 Ų | 130.1 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | | | trans | -126.1 | 57.7 | 158.2 | -76.3 | -72.7 | 80.7 | 0 | 0 | 111.4 | | |
| 89 | L | 53.9 | Low | 55.1 | Low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | | | trans | -166.6 | 78.3 | 142.8 | -162.2 | 63 | 0 | 0 | 0 | 111.6 | | |
| 90 | R | 52.1 | Low | 54.9 | Low | 244 Ų | 244 | 136.8 Ų | 136.8 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | | | trans | -146.2 | 85.4 | 145.4 | -139.5 | 168.6 | 168.4 | -166.8 | -5.5 | 108.8 | | |
| 91 | D | 50.5 | Low | 54.9 | Low | 114 Ų | 114 | 139 Ų | 139 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | | | trans | -18.9 | 119.6 | 162.6 | -165.3 | -89 | 0 | 0 | 0 | 114.5 | G93 | D91-G93 VanDerWaalsContact C-N 3.25Å; D91-G93 PolarHBondContact O-N 2.97Å; D91-G93 VanDerWaalsContact O-N 3.13Å; D91-G93 WeakPolarHBondContact OD1-CA 3.05Å; D91-G93 PolarHBondContact OD1-N 3.13Å |
| 92 | P | 50.8 | Low | 55 | Low | 139 Ų | 139 | 143.2 Ų | 143.2 | 90% | 0.903 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 75.5 | 163.6 | 32.5 | -28.8 | 0 | 0 | 0 | 108.8 | | |
| 93 | G | 54 | Low | 54.9 | Low | 56 Ų | 56 | 146.4 Ų | 146.4 | 58% | 0.577 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168 | 1.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | D91 V95 | D91-G93 VanDerWaalsContact C-N 3.25Å; D91-G93 PolarHBondContact O-N 2.97Å; D91-G93 VanDerWaalsContact O-N 3.13Å; D91-G93 WeakPolarHBondContact OD1-CA 3.05Å; D91-G93 PolarHBondContact OD1-N 3.13Å; G93-V95 PolarHBondContact O-N 3.36Å |
| 94 | H | 57.2 | Low | 54.7 | Low | 165 Ų | 165 | 147.5 Ų | 147.5 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | | | trans | -98.7 | 86.6 | 172.3 | -162.9 | 71.5 | 0 | 0 | 0 | 112.3 | | |
| 95 | V | 64.4 | Low | 55.1 | Low | 123 Ų | 123 | 153.1 Ų | 153.1 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | | | trans | -72.4 | 122.3 | 158.5 | -176.8 | 0 | 0 | 0 | 0 | 106.9 | G93 A97 | G93-V95 PolarHBondContact O-N 3.36Å; V95-A97 PolarHBondContact O-N 3.03Å |
| 96 | P | 50.3 | Low | 54.9 | Low | 96 Ų | 96 | 151.6 Ų | 151.6 | 62% | 0.623 | 81% | 0.807 | S | S | * | * | | | trans | -64.8 | 114.2 | 172.7 | 26.1 | -30.2 | 0 | 0 | 0 | 107.6 | M98 | P96-M98 PolarHBondContact O-N 3Š|
| 97 | A | 62.1 | Low | 55.3 | Low | 93 Ų | 93 | 154.4 Ų | 154.4 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | trans | -58.1 | 112.4 | 170 | 0 | 0 | 0 | 0 | 0 | 107.8 | V95 R99 | V95-A97 PolarHBondContact O-N 3.03Å; A97-R99 PolarHBondContact O-N 2.87Å |
| 98 | M | 56 | Low | 55.6 | Low | 187 Ų | 187 | 157.4 Ų | 157.4 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | | | trans | -54.9 | 104.6 | 164.6 | -79 | -78.1 | -87.6 | 0 | 0 | 106.9 | P96 G100 | P96-M98 PolarHBondContact O-N 3Å; M98-G100 VanDerWaalsContact C-N 3.34Å; M98-G100 PolarHBondContact O-N 2.89Å |
| 99 | R | 57.2 | Low | 55.5 | Low | 227 Ų | 227 | 156.1 Ų | 156.1 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | trans | -65.1 | 96.4 | -179.6 | -158.8 | 178.8 | -170.8 | -162.7 | 2.7 | 107.2 | A97 H101 | A97-R99 PolarHBondContact O-N 2.87Å; R99-H101 PolarHBondContact O-N 3.13Å |
| 100 | G | 56.5 | Low | 55.6 | Low | 69 Ų | 69 | 155.6 Ų | 155.6 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | -59.2 | 107.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M98 R102 | M98-G100 VanDerWaalsContact C-N 3.34Å; M98-G100 PolarHBondContact O-N 2.89Å; G100-R102 PolarHBondContact O-N 3.02Å; G100-R102 VanDerWaalsContact O-N 3.13Å |
| 101 | H | 56.2 | Low | 55.9 | Low | 177 Ų | 177 | 148.8 Ų | 148.8 | 82% | 0.819 | 81% | 0.808 | S | S | * | * | | | trans | -66.9 | 103.6 | 160 | -83 | -103.9 | 0 | 0 | 0 | 106.8 | R99 L103 | R99-H101 PolarHBondContact O-N 3.13Å; H101-L103 PolarHBondContact O-N 3.49Å |
| 102 | R | 58.1 | Low | 56.3 | Low | 243 Ų | 243 | 151.8 Ų | 151.8 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | | | trans | -65.1 | 129 | 165.3 | -74.6 | -166.5 | -175.1 | -130.4 | 4.7 | 108.1 | G100 | G100-R102 PolarHBondContact O-N 3.02Å; G100-R102 VanDerWaalsContact O-N 3.13Å |
| 103 | L | 53.1 | Low | 56.8 | Low | 246 Ų | 246 | 152.9 Ų | 152.9 | 100% | 1.288 | 82% | 0.817 | S | S | * | * | | | trans | -65.9 | 0 | 152.7 | -76.6 | 139.8 | 0 | 0 | 0 | 109.3 | H101 | H101-L103 PolarHBondContact O-N 3.49Š|