| 1 | M | 47.8 | Very low | 55.1 | Low | 249 Ų | 249 | 147.4 Ų | 147.4 | 100% | 1.227 | 76% | 0.76 | S | S | * | * | | | | 0 | 100.2 | 0 | -61.3 | -173 | -65 | 0 | 0 | 105.4 | | |
| 2 | G | 51.3 | Low | 55.2 | Low | 53 Ų | 53 | 151.2 Ų | 151.2 | 55% | 0.546 | 77% | 0.772 | S | S | . | * | | | trans | -92.5 | 144.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E4 | G2-E4 PolarHBondContact O-N 2.97Š|
| 3 | L | 58.2 | Low | 55.5 | Low | 150 Ų | 150 | 147.8 Ų | 147.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -72.3 | 19.8 | -178.2 | -61.3 | 172 | 0 | 0 | 0 | 113.6 | D5 | L3-D5 VanDerWaalsContact C-N 3.33Š|
| 4 | E | 60.1 | Low | 56.1 | Low | 172 Ų | 172 | 141.9 Ų | 141.9 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -84.7 | -12.3 | -172.1 | -63.7 | 165 | -163.5 | 0 | 0 | 111.9 | G2 | G2-E4 PolarHBondContact O-N 2.97Š|
| 5 | D | 57.8 | Low | 56.7 | Low | 111 Ų | 111 | 142.7 Ų | 142.7 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -85.4 | -11.1 | -175 | -91.7 | -32.5 | 0 | 0 | 0 | 114.9 | L3 K8 | L3-D5 VanDerWaalsContact C-N 3.33Å; D5-K8 IonicContact OD1-NZ 2.68Å; D5-K8 PolarHBondContact OD1-NZ 2.68Å |
| 6 | E | 54.8 | Low | 57.1 | Low | 149 Ų | 149 | 140.8 Ų | 140.8 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -89.6 | -13.6 | -175.8 | -73.6 | -177.6 | 132.6 | 0 | 0 | 114.4 | | |
| 7 | Q | 54.8 | Low | 57.6 | Low | 163 Ų | 163 | 143.4 Ų | 143.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -92.4 | -8.3 | -175.6 | -69.2 | -161.6 | 30.2 | 0 | 0 | 115.5 | M9 | Q7-M9 VanDerWaalsContact C-N 3.28Å; Q7-M9 PolarHBondContact O-N 3.06Å |
| 8 | K | 53.4 | Low | 58 | Low | 141 Ų | 141 | 145.6 Ų | 145.6 | 61% | 0.613 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -81.7 | -0.5 | -178.9 | 69.2 | -168.8 | 175.3 | -154.5 | 0 | 114.9 | D5 | D5-K8 IonicContact OD1-NZ 2.68Å; D5-K8 PolarHBondContact OD1-NZ 2.68Å |
| 9 | M | 56.5 | Low | 58.2 | Low | 158 Ų | 158 | 147.5 Ų | 147.5 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -93.6 | 0.9 | -177 | -67.2 | -74.9 | -70.7 | 0 | 0 | 113.7 | Q7 | Q7-M9 VanDerWaalsContact C-N 3.28Å; Q7-M9 PolarHBondContact O-N 3.06Å |
| 10 | L | 57.4 | Low | 58.3 | Low | 144 Ų | 144 | 149.6 Ų | 149.6 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -112 | 5.2 | -167.3 | -64.7 | 178 | 0 | 0 | 0 | 115.4 | | |
| 11 | T | 54 | Low | 58.4 | Low | 131 Ų | 131 | 151.1 Ų | 151.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -124.1 | 31.2 | -176.2 | 41 | 0 | 0 | 0 | 0 | 113.8 | | |
| 12 | E | 56.6 | Low | 58.9 | Low | 193 Ų | 193 | 148.1 Ų | 148.1 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | | | trans | -119 | 54.8 | 165.9 | -162.9 | 172.8 | -170.7 | 0 | 0 | 109.4 | G14 | E12-G14 VanDerWaalsContact C-N 3.35Å; E12-G14 PolarHBondContact O-N 3.06Å |
| 13 | S | 58.6 | Low | 59.1 | Low | 108 Ų | 108 | 154.9 Ų | 154.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -87.7 | 84.5 | 159.2 | 60.1 | 0 | 0 | 0 | 0 | 106.9 | D15 | S13-D15 PolarHBondContact O-N 3.42Š|
| 14 | G | 63.4 | Low | 58.8 | Low | 64 Ų | 64 | 156 Ų | 156 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.3 | 162 | 0 | 0 | 0 | 0 | 0 | 108.1 | E12 | E12-G14 VanDerWaalsContact C-N 3.35Å; E12-G14 PolarHBondContact O-N 3.06Å |
| 15 | D | 65.7 | Low | 58.4 | Low | 155 Ų | 155 | 156.3 Ų | 156.3 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 130.3 | 169.1 | -87.8 | -37.2 | 0 | 0 | 0 | 107.6 | S13 E17 | S13-D15 PolarHBondContact O-N 3.42Å; D15-E17 PolarHBondContact O-N 2.9Å; D15-E17 VanDerWaalsContact O-N 3.08Å |
| 16 | P | 63.6 | Low | 57.9 | Low | 111 Ų | 111 | 158.1 Ų | 158.1 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 119.4 | 169.8 | 25.1 | -29.7 | 0 | 0 | 0 | 106.8 | E18 | P16-E18 PolarHBondContact O-N 3.08Š|
| 17 | E | 65.3 | Low | 57.8 | Low | 185 Ų | 185 | 157.1 Ų | 157.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118.4 | 166.8 | -73 | -162.2 | 147 | 0 | 0 | 106.3 | D15 E19 | D15-E17 PolarHBondContact O-N 2.9Å; D15-E17 VanDerWaalsContact O-N 3.08Å; E17-E19 VanDerWaalsContact C-N 3.32Å; E17-E19 PolarHBondContact O-N 3.38Å |
| 18 | E | 64.1 | Low | 57.8 | Low | 183 Ų | 183 | 155.3 Ų | 155.3 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -63.3 | 100.1 | 171.6 | -70 | -166.4 | 158.2 | 0 | 0 | 106.5 | P16 E20 | P16-E18 PolarHBondContact O-N 3.08Å; E18-E20 PolarHBondContact O-N 3.4Å |
| 19 | E | 62.8 | Low | 57.8 | Low | 182 Ų | 182 | 151.9 Ų | 151.9 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | | | trans | -62.9 | 108.1 | 167.2 | -72.1 | -167.7 | 164.4 | 0 | 0 | 106.9 | E17 E21 | E17-E19 VanDerWaalsContact C-N 3.32Å; E17-E19 PolarHBondContact O-N 3.38Å; E19-E21 PolarHBondContact O-N 3.18Å |
| 20 | E | 60.5 | Low | 57.4 | Low | 189 Ų | 189 | 150 Ų | 150 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -62.7 | 106.7 | 171.6 | -70.2 | -170.6 | 166.7 | 0 | 0 | 108.3 | E18 E22 | E18-E20 PolarHBondContact O-N 3.4Å; E20-E22 PolarHBondContact O-N 3.27Å |
| 21 | E | 59.4 | Low | 57.2 | Low | 183 Ų | 183 | 150.8 Ų | 150.8 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -65.7 | 111.6 | 171.2 | -72.8 | -174.5 | 166.3 | 0 | 0 | 109 | E19 E23 | E19-E21 PolarHBondContact O-N 3.18Å; E21-E23 PolarHBondContact O-N 3.47Å |
| 22 | E | 58.4 | Low | 56.9 | Low | 186 Ų | 186 | 151.6 Ų | 151.6 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -65.4 | 112 | 170.9 | -72.2 | -173.9 | 163.1 | 0 | 0 | 109.7 | E20 E24 | E20-E22 PolarHBondContact O-N 3.27Å; E22-E24 PolarHBondContact O-N 3.18Å |
| 23 | E | 55.8 | Low | 56.5 | Low | 194 Ų | 194 | 146.1 Ų | 146.1 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | | | trans | -71.5 | 112.3 | 174.1 | -66 | -171.4 | 169.3 | 0 | 0 | 110.7 | E21 E25 | E21-E23 PolarHBondContact O-N 3.47Å; E23-E25 PolarHBondContact O-N 3.04Å |
| 24 | E | 52.2 | Low | 55.9 | Low | 175 Ų | 175 | 146.9 Ų | 146.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -72.7 | 123.3 | 174.7 | -64.2 | -173.7 | 167.8 | 0 | 0 | 111.6 | E22 L26 | E22-E24 PolarHBondContact O-N 3.18Å; E24-L26 PolarHBondContact O-N 3.3Å |
| 25 | E | 50.5 | Low | 55.1 | Low | 177 Ų | 177 | 152.2 Ų | 152.2 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | -74.7 | 104.2 | 177.3 | -168.5 | 178 | -171.9 | 0 | 0 | 111.4 | E23 V27 | E23-E25 PolarHBondContact O-N 3.04Å; E25-V27 PolarHBondContact O-N 3.32Å |
| 26 | L | 47.2 | Very low | 54.1 | Low | 149 Ų | 149 | 150 Ų | 150 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | -78 | 100.6 | 176.3 | -75.5 | 166.4 | 0 | 0 | 0 | 111.6 | E24 I28 | E24-L26 PolarHBondContact O-N 3.3Å; L26-I28 PolarHBondContact O-N 3.22Å |
| 27 | V | 53.1 | Low | 53.4 | Low | 129 Ų | 129 | 148 Ų | 148 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | trans | -79.4 | 97.4 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | E25 G29 | E25-V27 PolarHBondContact O-N 3.32Å; V27-G29 PolarHBondContact O-N 3.32Å |
| 28 | I | 54.9 | Low | 52.7 | Low | 125 Ų | 125 | 146.3 Ų | 146.3 | 64% | 0.641 | 77% | 0.765 | S | S | * | * | | | trans | -86.4 | 104.6 | 175.3 | -59.7 | 169.1 | 0 | 0 | 0 | 109.9 | L26 L30 | L26-I28 PolarHBondContact O-N 3.22Å; I28-L30 HydrophobicContact CG2-CD2 4.33Å; I28-L30 PolarHBondContact O-N 3.18Å |
| 29 | G | 53.3 | Low | 52.2 | Low | 69 Ų | 69 | 146.7 Ų | 146.7 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -75.8 | 101.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V27 R31 | V27-G29 PolarHBondContact O-N 3.32Å; G29-R31 PolarHBondContact O-N 2.93Å |
| 30 | L | 48.7 | Very low | 51.7 | Low | 117 Ų | 117 | 141.5 Ų | 141.5 | 61% | 0.613 | 77% | 0.767 | S | S | * | * | | | trans | -74.5 | 104.4 | 172.2 | -70.3 | -176.8 | 0 | 0 | 0 | 110.8 | I28 L32 L51 | I28-L30 HydrophobicContact CG2-CD2 4.33Å; I28-L30 PolarHBondContact O-N 3.18Å; L30-L32 PolarHBondContact O-N 3.2Å; L30-L51 HydrophobicContact CB-CD1 4.18Å; L30-L51 HydrophobicContact CD1-CD1 3.54Å; L30-L51 HydrophobicContact CG-CD1 3.77Å |
| 31 | R | 53.3 | Low | 51.2 | Low | 161 Ų | 161 | 141.9 Ų | 141.9 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | -80.3 | 97.6 | 169.1 | -75.5 | 179.7 | 99.7 | -142.6 | 13 | 110.3 | G29 S33 C44 | G29-R31 PolarHBondContact O-N 2.93Å; R31-S33 PolarHBondContact O-N 3.39Å; R31-S33 VanDerWaalsContact O-N 3.14Å; R31-C44 PolarHBondContact NH2-SG 2.95Å |
| 32 | L | 47.6 | Very low | 50.7 | Low | 148 Ų | 148 | 140.6 Ų | 140.6 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | trans | -71.7 | 104.3 | 168.1 | -68.9 | 173.1 | 0 | 0 | 0 | 109.4 | L30 V34 | L30-L32 PolarHBondContact O-N 3.2Å; L32-V34 PolarHBondContact O-N 3.24Å |
| 33 | S | 47.3 | Very low | 50 | Low | 79 Ų | 79 | 137.6 Ų | 137.6 | 55% | 0.552 | 74% | 0.741 | S | S | * | * | | | trans | -87.3 | 101.6 | 174.1 | -53.4 | 0 | 0 | 0 | 0 | 108.7 | R31 H35 | R31-S33 PolarHBondContact O-N 3.39Å; R31-S33 VanDerWaalsContact O-N 3.14Å; S33-H35 PolarHBondContact O-N 3.42Å; S33-H35 VanDerWaalsContact O-N 3.13Å |
| 34 | V | 46.9 | Very low | 49.5 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 75% | 0.745 | 71% | 0.713 | S | S | * | * | | | trans | -74.2 | 101.7 | 170 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | L32 T36 | L32-V34 PolarHBondContact O-N 3.24Å; V34-T36 VanDerWaalsContact C-N 3.33Å; V34-T36 HydrophobicContact CG1-CG2 4.42Å; V34-T36 PolarHBondContact O-N 3.18Å |
| 35 | H | 46.2 | Very low | 49.2 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 82% | 0.819 | 71% | 0.705 | S | S | * | * | | | trans | -81.8 | 82 | 175 | -156.9 | 50 | 0 | 0 | 0 | 109.5 | S33 G37 | S33-H35 PolarHBondContact O-N 3.42Å; S33-H35 VanDerWaalsContact O-N 3.13Å; H35-G37 PolarHBondContact O-N 3.13Å |
| 36 | T | 45.2 | Very low | 48.8 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | | | trans | -69.2 | 114.5 | 159.8 | 31.6 | 0 | 0 | 0 | 0 | 107.5 | V34 N38 | V34-T36 VanDerWaalsContact C-N 3.33Å; V34-T36 HydrophobicContact CG1-CG2 4.42Å; V34-T36 PolarHBondContact O-N 3.18Å; T36-N38 PolarHBondContact O-N 3.02Å |
| 37 | G | 49.1 | Very low | 48.7 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -65.4 | 70.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | H35 | H35-G37 PolarHBondContact O-N 3.13Š|
| 38 | N | 50.8 | Low | 48.2 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | | | trans | -134.1 | 117.3 | 163.2 | -91.5 | -40.6 | 0 | 0 | 0 | 109.4 | T36 G40 | T36-N38 PolarHBondContact O-N 3.02Å; N38-G40 VanDerWaalsContact C-N 3.27Å; N38-G40 PolarHBondContact O-N 3.18Å |
| 39 | L | 52.9 | Low | 47.6 | Very low | 191 Ų | 191 | 125.8 Ų | 125.8 | 100% | 1 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 64.3 | -176.6 | -73.6 | 155.4 | 0 | 0 | 0 | 113.4 | | |
| 40 | G | 51.5 | Low | 47.1 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 75% | 0.753 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.7 | -29 | -178.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | N38 | N38-G40 VanDerWaalsContact C-N 3.27Å; N38-G40 PolarHBondContact O-N 3.18Å |
| 41 | R | 50.8 | Low | 47.1 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 74% | 0.74 | 69% | 0.687 | S | S | * | * | | | trans | -156.8 | 109.4 | -179.8 | -145.3 | 171.6 | -174.4 | -102.6 | -3.3 | 111.1 | E43 | R41-E43 WeakPolarHBondContact CD-OE1 3.43Å; R41-E43 HydrophobicContact CG-CG 4.18Å; R41-E43 IonicContact CZ-OE1 3.64Å; R41-E43 IonicContact NE-OE1 3.92Å; R41-E43 IonicContact NH1-OE1 2.63Å; R41-E43 PolarHBondContact NH1-OE1 3.21Å; R41-E43 IonicContact NH1-OE2 3.75Å; R41-E43 PolarHBondContact O-N 3.28Å |
| 42 | Q | 48.7 | Very low | 46.6 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | | | trans | -83.8 | 91 | 171.3 | -175.5 | 172.9 | 34.5 | 0 | 0 | 107.8 | C44 | Q42-C44 PolarHBondContact O-N 2.63Š|
| 43 | E | 43.4 | Very low | 46.4 | Very low | 123 Ų | 123 | 125 Ų | 125 | 58% | 0.575 | 68% | 0.68 | S | S | * | * | | | trans | -85.9 | 93.1 | 169.4 | -66.4 | -178.6 | -150.7 | 0 | 0 | 107.6 | R41 E45 | R41-E43 WeakPolarHBondContact CD-OE1 3.43Å; R41-E43 HydrophobicContact CG-CG 4.18Å; R41-E43 IonicContact CZ-OE1 3.64Å; R41-E43 IonicContact NE-OE1 3.92Å; R41-E43 IonicContact NH1-OE1 2.63Å; R41-E43 PolarHBondContact NH1-OE1 3.21Å; R41-E43 IonicContact NH1-OE2 3.75Å; R41-E43 PolarHBondContact O-N 3.28Å; E43-E45 PolarHBondContact O-N 3.32Å |
| 44 | C | 46.2 | Very low | 46.2 | Very low | 49 Ų | 49 | 129.2 Ų | 129.2 | 33% | 0.331 | 69% | 0.691 | S | S | . | * | | | trans | -78.9 | 92.7 | 169.9 | -68.2 | 0 | 0 | 0 | 0 | 108.8 | R31 Q42 T46 | R31-C44 PolarHBondContact NH2-SG 2.95Å; Q42-C44 PolarHBondContact O-N 2.63Å; C44-T46 PolarHBondContact O-N 3.32Å |
| 45 | E | 46.4 | Very low | 46.1 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 64% | 0.64 | 70% | 0.697 | S | S | * | * | | | trans | -76.8 | 111.9 | 164.1 | -73.1 | -175 | 159.5 | 0 | 0 | 108.9 | E43 F47 | E43-E45 PolarHBondContact O-N 3.32Å; E45-F47 HydrophobicContact CB-CD2 4.06Å; E45-F47 HydrophobicContact CB-CE2 3.49Å; E45-F47 VanDerWaalsContact CB-CE2 3.49Å; E45-F47 HydrophobicContact CB-CZ 4.17Å; E45-F47 WeakPolarHBondContact O-CD2 3.42Å; E45-F47 PolarHBondContact O-N 3.13Å; E45-F47 WeakPolarHBondContact OE2-CE2 3.42Å; E45-F47 WeakPolarHBondContact OE2-CZ 3.49Å |
| 46 | T | 41.1 | Very low | 46.1 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | | | trans | -74 | 102.2 | 174.9 | -63.5 | 0 | 0 | 0 | 0 | 108.4 | C44 P48 | C44-T46 PolarHBondContact O-N 3.32Å; T46-P48 WeakPolarHBondContact O-CD 3.42Å |
| 47 | F | 44.8 | Very low | 46.2 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 52% | 0.522 | 70% | 0.7 | S | S | . | * | | | trans | -96.4 | 110.8 | 168.3 | -70.2 | -82.6 | 0 | 0 | 0 | 109.2 | E45 Y49 | E45-F47 HydrophobicContact CB-CD2 4.06Å; E45-F47 HydrophobicContact CB-CE2 3.49Å; E45-F47 VanDerWaalsContact CB-CE2 3.49Å; E45-F47 HydrophobicContact CB-CZ 4.17Å; E45-F47 WeakPolarHBondContact O-CD2 3.42Å; E45-F47 PolarHBondContact O-N 3.13Å; E45-F47 WeakPolarHBondContact OE2-CE2 3.42Å; E45-F47 WeakPolarHBondContact OE2-CZ 3.49Å; F47-Y49 VanDerWaalsContact C-N 3.3Å; F47-Y49 HydrophobicContact CB-CD2 3.81Å; F47-Y49 HydrophobicContact CB-CE2 3.48Å; F47-Y49 VanDerWaalsContact CB-CE2 3.48Å; F47-Y49 HydrophobicContact CG-CE2 4.18Å; F47-Y49 PolarHBondContact O-N 3.45Å |
| 48 | P | 42.1 | Very low | 45.8 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | | | trans | -75.2 | 86.9 | 173 | 30.7 | -31.3 | 0 | 0 | 0 | 108.3 | T46 Y50 | T46-P48 WeakPolarHBondContact O-CD 3.42Å; P48-Y50 PolarHBondContact O-N 2.64Å |
| 49 | Y | 42.8 | Very low | 45.4 | Very low | 174 Ų | 174 | 133 Ų | 133 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | | | trans | -75.2 | 113.4 | 164.2 | -72.8 | -80.6 | 0 | 0 | 0 | 107.8 | F47 L51 | F47-Y49 VanDerWaalsContact C-N 3.3Å; F47-Y49 HydrophobicContact CB-CD2 3.81Å; F47-Y49 HydrophobicContact CB-CE2 3.48Å; F47-Y49 VanDerWaalsContact CB-CE2 3.48Å; F47-Y49 HydrophobicContact CG-CE2 4.18Å; F47-Y49 PolarHBondContact O-N 3.45Å; Y49-L51 PolarHBondContact O-N 2.94Å |
| 50 | Y | 44 | Very low | 44.8 | Very low | 208 Ų | 208 | 131.2 Ų | 131.2 | 82% | 0.816 | 69% | 0.686 | S | S | * | * | | | trans | -49.7 | 98 | 170.9 | -107.5 | -104.6 | 0 | 0 | 0 | 110.2 | P48 A52 | P48-Y50 PolarHBondContact O-N 2.64Å; Y50-A52 HydrophobicContact CD1-CB 4.1Å; Y50-A52 PolarHBondContact O-N 3.41Å |
| 51 | L | 47.8 | Very low | 44.3 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 55% | 0.55 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | 27.2 | 171.4 | -75.8 | 162.6 | 0 | 0 | 0 | 111.8 | L30 Y49 | L30-L51 HydrophobicContact CB-CD1 4.18Å; L30-L51 HydrophobicContact CD1-CD1 3.54Å; L30-L51 HydrophobicContact CG-CD1 3.77Å; Y49-L51 PolarHBondContact O-N 2.94Å |
| 52 | A | 42.9 | Very low | 43.9 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.2 | -6.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y50 | Y50-A52 HydrophobicContact CD1-CB 4.1Å; Y50-A52 PolarHBondContact O-N 3.41Å |
| 53 | S | 44.3 | Very low | 43.6 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -108.5 | -7.9 | -168.2 | -59.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 54 | E | 42.4 | Very low | 43.8 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -107 | -0.1 | -174.3 | -70 | -158.1 | 159.8 | 0 | 0 | 116.2 | | |
| 55 | L | 45 | Very low | 43.9 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -88.7 | -13.3 | 174.2 | -62.4 | -176.8 | 0 | 0 | 0 | 113.3 | G57 | L55-G57 PolarHBondContact O-N 3.06Š|
| 56 | N | 46.6 | Very low | 43.3 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -96.3 | 74.6 | 173.9 | -74.1 | -52.4 | 0 | 0 | 0 | 111.3 | | |
| 57 | G | 45.7 | Very low | 43.4 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 83 | 64.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | L55 | L55-G57 PolarHBondContact O-N 3.06Š|
| 58 | R | 41 | Very low | 43.3 | Very low | 197 Ų | 197 | 126.9 Ų | 126.9 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | trans | -168.5 | 133.3 | 142.2 | -148 | 162.2 | 178 | 161.8 | -0.5 | 112.1 | H60 | R58-H60 PolarHBondContact O-N 3.44Š|
| 59 | P | 42.1 | Very low | 43.5 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | | | trans | -73.9 | 100.2 | 166.3 | 30.4 | -28.5 | 0 | 0 | 0 | 107.3 | S61 | P59-S61 PolarHBondContact O-N 3.13Å; P59-S61 VanDerWaalsContact O-N 3.13Å |
| 60 | H | 41.8 | Very low | 43.7 | Very low | 152 Ų | 152 | 123.3 Ų | 123.3 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | | | trans | -75.3 | 106 | 165.9 | -75.9 | -68.8 | 0 | 0 | 0 | 107.9 | R58 | R58-H60 PolarHBondContact O-N 3.44Š|
| 61 | S | 39.7 | Very low | 43.6 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | trans | -30.8 | 140.5 | 172.9 | -50.6 | 0 | 0 | 0 | 0 | 112.9 | P59 I63 | P59-S61 PolarHBondContact O-N 3.13Å; P59-S61 VanDerWaalsContact O-N 3.13Å; S61-I63 PolarHBondContact O-N 3.26Å |
| 62 | A | 42.2 | Very low | 43.5 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -12.2 | 123.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113 | S64 | A62-S64 PolarHBondContact O-N 3.14Š|
| 63 | I | 44.2 | Very low | 43.6 | Very low | 177 Ų | 177 | 119.6 Ų | 119.6 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | | | trans | -59.9 | 86.4 | 171 | -34.4 | 170.8 | 0 | 0 | 0 | 106.8 | S61 G65 | S61-I63 PolarHBondContact O-N 3.26Å; I63-G65 PolarHBondContact O-N 3.37Å |
| 64 | S | 46.1 | Very low | 43.8 | Very low | 114 Ų | 114 | 121 Ų | 121 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -75.5 | 112.1 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 106.4 | A62 G66 | A62-S64 PolarHBondContact O-N 3.14Å; S64-G66 PolarHBondContact O-N 3.34Å; S64-G66 VanDerWaalsContact O-N 3.13Å |
| 65 | G | 48.2 | Very low | 44.1 | Very low | 78 Ų | 78 | 121.4 Ų | 121.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 52.7 | 47.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | I63 S67 | I63-G65 PolarHBondContact O-N 3.37Å; G65-S67 PolarHBondContact O-N 2.8Å |
| 66 | G | 34.8 | Very low | 44.2 | Very low | 64 Ų | 64 | 122.1 Ų | 122.1 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | trans | -88.5 | 81.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S64 V68 | S64-G66 PolarHBondContact O-N 3.34Å; S64-G66 VanDerWaalsContact O-N 3.13Å; G66-V68 VanDerWaalsContact C-N 3.35Å; G66-V68 PolarHBondContact O-N 3.35Å |
| 67 | S | 42.9 | Very low | 43.8 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -65.3 | 95.7 | 168.6 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | G65 A69 | G65-S67 PolarHBondContact O-N 2.8Å; S67-A69 PolarHBondContact O-N 2.69Å |
| 68 | V | 43.2 | Very low | 43.7 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | | | trans | -79 | 115.4 | 161.9 | -169.5 | 0 | 0 | 0 | 0 | 105.4 | G66 L70 | G66-V68 VanDerWaalsContact C-N 3.35Å; G66-V68 PolarHBondContact O-N 3.35Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 2.73Å |
| 69 | A | 46.1 | Very low | 43.9 | Very low | 90 Ų | 90 | 115 Ų | 115 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | | | trans | -58.2 | 97.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | S67 | S67-A69 PolarHBondContact O-N 2.69Š|
| 70 | L | 46.5 | Very low | 44 | Very low | 123 Ų | 123 | 116 Ų | 116 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | | | trans | -62.2 | 138.5 | 167.2 | -68.8 | 173.2 | 0 | 0 | 0 | 107.4 | V68 A72 | V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 2.73Å; L70-A72 PolarHBondContact O-N 2.85Å |
| 71 | P | 41.3 | Very low | 44.1 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | | | trans | -50.9 | 138.3 | 173.4 | 16 | -25.5 | 0 | 0 | 0 | 109.5 | G73 | P71-G73 PolarHBondContact O-N 3.31Š|
| 72 | A | 45.5 | Very low | 44.5 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 98% | 0.983 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 49.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L70 | L70-A72 PolarHBondContact O-N 2.85Š|
| 73 | G | 46.9 | Very low | 44.4 | Very low | 72 Ų | 72 | 119.7 Ų | 119.7 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | 2.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P71 | P71-G73 PolarHBondContact O-N 3.31Š|
| 74 | L | 48.4 | Very low | 44.5 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | trans | -105.3 | 12 | -174.7 | -100.7 | 164.6 | 0 | 0 | 0 | 115 | H76 | L74-H76 VanDerWaalsContact C-N 3.35Å; L74-H76 PolarHBondContact O-N 3.23Å |
| 75 | L | 48.3 | Very low | 44.5 | Very low | 175 Ų | 175 | 120.9 Ų | 120.9 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | | | trans | -90.8 | 68.8 | 173.1 | -65 | 179.6 | 0 | 0 | 0 | 111 | | |
| 76 | H | 46.2 | Very low | 44.2 | Very low | 181 Ų | 181 | 125.6 Ų | 125.6 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -143.3 | 71.8 | 153 | -149.7 | 38 | 0 | 0 | 0 | 111.3 | L74 S78 | L74-H76 VanDerWaalsContact C-N 3.35Å; L74-H76 PolarHBondContact O-N 3.23Å; H76-S78 PolarHBondContact O-N 3.35Å |
| 77 | G | 39.4 | Very low | 44.8 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | trans | -75.6 | 103.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 78 | S | 43.6 | Very low | 45.2 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 58% | 0.58 | 78% | 0.777 | S | S | * | * | | | trans | -68.6 | 129 | 166.6 | -178 | 0 | 0 | 0 | 0 | 109.6 | H76 N80 | H76-S78 PolarHBondContact O-N 3.35Å; S78-N80 PolarHBondContact O-N 3.03Å |
| 79 | P | 45.3 | Very low | 45.5 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -90.8 | 76.4 | -174.3 | 35.5 | -31.5 | 0 | 0 | 0 | 109.6 | | |
| 80 | N | 43 | Very low | 45.7 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -155.1 | 56.2 | 177.3 | -97.9 | -26 | 0 | 0 | 0 | 114.4 | S78 | S78-N80 PolarHBondContact O-N 3.03Š|
| 81 | N | 45.3 | Very low | 45.8 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -148.5 | 19.7 | 169.7 | 15.8 | -73.8 | 0 | 0 | 0 | 115.6 | E83 | N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 2.97Å |
| 82 | S | 46.3 | Very low | 46 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -73.9 | -15.5 | 173.7 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 83 | E | 40.3 | Very low | 46 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -93.6 | -16.3 | -172.1 | -157 | 174.3 | 159.2 | 0 | 0 | 114.4 | N81 | N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 2.97Å |
| 84 | R | 47.5 | Very low | 46.2 | Very low | 230 Ų | 230 | 146 Ų | 146 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -93.7 | -7.2 | -174.7 | -159.8 | 178 | -74.4 | -122.8 | 2.1 | 114.5 | M86 | R84-M86 PolarHBondContact O-N 3.19Š|
| 85 | A | 45.8 | Very low | 46 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -11.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 86 | M | 42.1 | Very low | 45.9 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 24.1 | -174.5 | -62.3 | -160.3 | -57.6 | 0 | 0 | 115.5 | R84 | R84-M86 PolarHBondContact O-N 3.19Š|
| 87 | R | 47.9 | Very low | 46.1 | Very low | 230 Ų | 230 | 136.1 Ų | 136.1 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -132.2 | 38.6 | 175.2 | -71.2 | -168.6 | -130.2 | -108.7 | -1.2 | 114.2 | | |
| 88 | A | 50.3 | Low | 46.4 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | -134.8 | 49.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 89 | V | 49.3 | Very low | 46.6 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 95% | 0.945 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -112.9 | 105.4 | 159.1 | 171.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 90 | G | 50.6 | Low | 46.7 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | 111.1 | 65.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 91 | E | 48.6 | Very low | 46.7 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -138.4 | 104.3 | 153.6 | -123.8 | 178.8 | 171.1 | 0 | 0 | 109.1 | C93 | E91-C93 PolarHBondContact O-N 3.3Š|
| 92 | M | 46.4 | Very low | 46.9 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 89% | 0.892 | 85% | 0.845 | S | S | * | * | | | trans | -66 | 121.7 | 172.1 | -66.7 | 168 | 65 | 0 | 0 | 108.1 | K94 | M92-K94 PolarHBondContact O-N 3.38Š|
| 93 | C | 45 | Very low | 46.9 | Very low | 135 Ų | 135 | 148 Ų | 148 | 91% | 0.912 | 85% | 0.846 | S | S | * | * | | | trans | -54.2 | 110.5 | 177.9 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | E91 | E91-C93 PolarHBondContact O-N 3.3Š|
| 94 | K | 50.6 | Low | 47.3 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 82% | 0.822 | 85% | 0.848 | S | S | * | * | | | trans | -87.5 | 114.9 | 163.2 | -78.7 | -177.4 | 176.6 | 177 | 0 | 108.2 | M92 | M92-K94 PolarHBondContact O-N 3.38Š|
| 95 | G | 44.9 | Very low | 47.3 | Very low | 54 Ų | 54 | 142 Ų | 142 | 56% | 0.557 | 85% | 0.847 | S | S | * | * | | | trans | -63.7 | 168.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G97 | G95-G97 PolarHBondContact O-N 3.27Š|
| 96 | P | 46 | Very low | 47.4 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 97% | 0.968 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -73.7 | 96.7 | -173.3 | 30.5 | -32.2 | 0 | 0 | 0 | 110.3 | | |
| 97 | G | 50.9 | Low | 47.7 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 76% | 0.763 | 85% | 0.853 | S | S | * | * | | | trans | 176.9 | 9.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | G95 A99 | G95-G97 PolarHBondContact O-N 3.27Å; G97-A99 PolarHBondContact O-N 3.2Å |
| 98 | A | 45.1 | Very low | 47.7 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 67% | 0.669 | 85% | 0.852 | S | S | * | * | | | trans | -84.5 | 93.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R100 | A98-R100 PolarHBondContact O-N 3.44Š|
| 99 | A | 47.1 | Very low | 47.5 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 82% | 0.818 | 86% | 0.857 | S | S | * | * | | | trans | -55.7 | 129.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G97 A101 | G97-A99 PolarHBondContact O-N 3.2Å; A99-A101 PolarHBondContact O-N 3.44Å |
| 100 | R | 48.4 | Very low | 47.3 | Very low | 244 Ų | 244 | 139.4 Ų | 139.4 | 92% | 0.921 | 85% | 0.851 | S | S | * | * | | | trans | -65.6 | 115.6 | 171.5 | -77.4 | 176.6 | 155.3 | -161.6 | -6.5 | 108.8 | A98 | A98-R100 PolarHBondContact O-N 3.44Š|
| 101 | A | 43.1 | Very low | 47.1 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | | | trans | -82.1 | 129.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | A99 | A99-A101 PolarHBondContact O-N 3.44Š|
| 102 | L | 48.7 | Very low | 46.9 | Very low | 245 Ų | 245 | 140.9 Ų | 140.9 | 100% | 1.283 | 86% | 0.857 | S | S | * | * | | | trans | -74.8 | 0 | 170.2 | -75.4 | 168.9 | 0 | 0 | 0 | 110.4 | | |