| 1 | M | 38.3 | Very low | 35.9 | Very low | 243 Ų | 243 | 158.7 Ų | 158.7 | 100% | 1.197 | 86% | 0.856 | S | S | * | * | | | | 0 | 90.3 | 0 | -157.8 | 170.3 | -157.9 | 0 | 0 | 107.2 | | |
| 2 | L | 36.5 | Very low | 36.6 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 82% | 0.817 | 85% | 0.845 | S | S | * | * | | | trans | -125.3 | 118.4 | -170.1 | -92.4 | 125.5 | 0 | 0 | 0 | 109.9 | Y4 | L2-Y4 HydrophobicContact CD2-CD2 4.14Å; L2-Y4 HydrophobicContact CD2-CE2 4.22Å |
| 3 | R | 34.4 | Very low | 37 | Very low | 233 Ų | 233 | 153.2 Ų | 153.2 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | | | trans | -80.4 | 126.3 | 158.3 | -62.8 | 179.3 | -162.2 | 168.2 | 4.6 | 107.1 | | |
| 4 | Y | 38 | Very low | 37.3 | Very low | 215 Ų | 215 | 157.2 Ų | 157.2 | 84% | 0.843 | 85% | 0.845 | S | S | * | * | | | trans | -139.7 | 110.9 | 150.2 | -100.6 | -87.7 | 0 | 0 | 0 | 107.3 | L2 | L2-Y4 HydrophobicContact CD2-CD2 4.14Å; L2-Y4 HydrophobicContact CD2-CE2 4.22Å |
| 5 | Q | 30.9 | Very low | 37.5 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | | | trans | -76 | 130.1 | 163.3 | -66 | -178 | 53.3 | 0 | 0 | 107 | | |
| 6 | S | 35.5 | Very low | 37.7 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -137 | 105.5 | 163.4 | 175 | 0 | 0 | 0 | 0 | 107.7 | G8 | S6-G8 PolarHBondContact O-N 2.92Š|
| 7 | S | 38.1 | Very low | 37.9 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | trans | -69.2 | 103.2 | 171.2 | 43.9 | 0 | 0 | 0 | 0 | 109.3 | T9 | S7-T9 PolarHBondContact O-N 2.64Å; S7-T9 VanDerWaalsContact O-N 3.16Å |
| 8 | G | 31.8 | Very low | 38.1 | Very low | 75 Ų | 75 | 152.1 Ų | 152.1 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | trans | -75.6 | 92.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S6 A10 | S6-G8 PolarHBondContact O-N 2.92Å; G8-A10 PolarHBondContact O-N 3.13Å; G8-A10 VanDerWaalsContact O-N 3.17Å |
| 9 | T | 37.6 | Very low | 38.3 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | -77.1 | 92.1 | 162.9 | 45.9 | 0 | 0 | 0 | 0 | 108.5 | S7 Q11 | S7-T9 PolarHBondContact O-N 2.64Å; S7-T9 VanDerWaalsContact O-N 3.16Å; T9-Q11 PolarHBondContact O-N 3.4Å; T9-Q11 VanDerWaalsContact O-N 3.15Å |
| 10 | A | 39 | Very low | 38.4 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | | | trans | -66 | 106.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | G8 P12 | G8-A10 PolarHBondContact O-N 3.13Å; G8-A10 VanDerWaalsContact O-N 3.17Å; A10-P12 VanDerWaalsContact O-CD 3.3Å; A10-P12 WeakPolarHBondContact O-CD 3.48Å |
| 11 | Q | 34.9 | Very low | 38.6 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -70.8 | 119.7 | 164.2 | -78.1 | -174.7 | -70.1 | 0 | 0 | 109 | T9 N13 | T9-Q11 PolarHBondContact O-N 3.4Å; T9-Q11 VanDerWaalsContact O-N 3.15Å; Q11-N13 PolarHBondContact O-N 3.36Å |
| 12 | P | 44.4 | Very low | 38.6 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | trans | -80.3 | 110.1 | 167.5 | 29.7 | -29 | 0 | 0 | 0 | 110.2 | A10 | A10-P12 VanDerWaalsContact O-CD 3.3Å; A10-P12 WeakPolarHBondContact O-CD 3.48Å |
| 13 | N | 41.7 | Very low | 38.7 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | trans | 19.2 | 112.9 | 145 | -74.4 | -46.5 | 0 | 0 | 0 | 118.3 | Q11 G15 | Q11-N13 PolarHBondContact O-N 3.36Å; N13-G15 PolarHBondContact O-N 3.22Å |
| 14 | Q | 41.4 | Very low | 39 | Very low | 210 Ų | 210 | 133.2 Ų | 133.2 | 98% | 0.981 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 26.1 | 163.5 | -68.5 | -174.1 | -12.1 | 0 | 0 | 114.7 | | |
| 15 | G | 39.5 | Very low | 38.9 | Very low | 62 Ų | 62 | 130.9 Ų | 130.9 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -4.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N13 | N13-G15 PolarHBondContact O-N 3.22Š|
| 16 | Q | 40.9 | Very low | 39 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -97.9 | -1.1 | -169 | -77.4 | -166.7 | 58.8 | 0 | 0 | 116.1 | | |
| 17 | Q | 41.5 | Very low | 39 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -84.3 | -18.9 | -176.6 | -70.8 | -169 | -12 | 0 | 0 | 114.7 | | |
| 18 | L | 41.5 | Very low | 38.7 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -90.1 | -12.3 | 177.9 | -102.2 | 78.9 | 0 | 0 | 0 | 114.9 | N20 | L18-N20 VanDerWaalsContact C-N 3.34Š|
| 19 | A | 42.5 | Very low | 38.9 | Very low | 75 Ų | 75 | 137 Ų | 137 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -86.2 | -5.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F21 | A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.21Å |
| 20 | N | 38.7 | Very low | 38.7 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 3.2 | -172.9 | -115.1 | -2.5 | 0 | 0 | 0 | 115.1 | L18 | L18-N20 VanDerWaalsContact C-N 3.34Š|
| 21 | F | 44.1 | Very low | 38.3 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 0.4 | 173.2 | -71.9 | -77.5 | 0 | 0 | 0 | 113.9 | A19 | A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.21Å |
| 22 | G | 36.8 | Very low | 38.2 | Very low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -93.1 | -8.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 23 | S | 39.5 | Very low | 37.8 | Very low | 72 Ų | 72 | 147.3 Ų | 147.3 | 50% | 0.503 | 76% | 0.762 | S | S | . | * | | | trans | -97 | 9.7 | -166.8 | -57.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 24 | Q | 40.6 | Very low | 37.7 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 12.9 | -179.7 | -65.4 | -145.1 | 47.8 | 0 | 0 | 114.7 | | |
| 25 | L | 35.5 | Very low | 37.9 | Very low | 165 Ų | 165 | 145 Ų | 145 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 15.3 | 165.8 | -67.8 | 177.8 | 0 | 0 | 0 | 113.3 | L27 | L25-L27 PolarHBondContact O-N 3.26Š|
| 26 | S | 33.1 | Very low | 38.3 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | -69.5 | 83.2 | 165.7 | -71.1 | 0 | 0 | 0 | 0 | 109.5 | Q28 | S26-Q28 PolarHBondContact O-N 3.07Š|
| 27 | L | 34.9 | Very low | 38.6 | Very low | 157 Ų | 157 | 144 Ų | 144 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -47.1 | 130.4 | 142.5 | -88.6 | 153.8 | 0 | 0 | 0 | 106.6 | L25 Q29 | L25-L27 PolarHBondContact O-N 3.26Å; L27-Q29 PolarHBondContact O-N 3.34Å |
| 28 | Q | 32.6 | Very low | 39.1 | Very low | 197 Ų | 197 | 141 Ų | 141 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | | | trans | -66.2 | 73.6 | 171.5 | -144.7 | -179.2 | 1.4 | 0 | 0 | 107.7 | S26 E30 | S26-Q28 PolarHBondContact O-N 3.07Å; Q28-E30 VanDerWaalsContact C-N 3.31Å; Q28-E30 PolarHBondContact O-N 2.85Å; Q28-E30 VanDerWaalsContact O-N 3.15Å |
| 29 | Q | 35.7 | Very low | 39.5 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | | | trans | -80 | 93.7 | 166.3 | -122.6 | 179.9 | -4.9 | 0 | 0 | 105.2 | L27 R31 | L27-Q29 PolarHBondContact O-N 3.34Å; Q29-R31 VanDerWaalsContact C-N 3.32Å; Q29-R31 PolarHBondContact O-N 3.32Å |
| 30 | E | 33 | Very low | 39.9 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | | | trans | -43 | 98 | 164.7 | -166.9 | 172.4 | 178.6 | 0 | 0 | 108.8 | Q28 H32 | Q28-E30 VanDerWaalsContact C-N 3.31Å; Q28-E30 PolarHBondContact O-N 2.85Å; Q28-E30 VanDerWaalsContact O-N 3.15Å; E30-H32 PolarHBondContact O-N 2.69Å |
| 31 | R | 31.1 | Very low | 40.3 | Very low | 238 Ų | 238 | 136.2 Ų | 136.2 | 90% | 0.898 | 73% | 0.728 | S | S | * | * | | | trans | -74.2 | 71.1 | 175.9 | -84.1 | -120.4 | -74.4 | 162.5 | -5.8 | 108.7 | Q29 | Q29-R31 VanDerWaalsContact C-N 3.32Å; Q29-R31 PolarHBondContact O-N 3.32Å |
| 32 | H | 32.5 | Very low | 40.6 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 73% | 0.731 | 71% | 0.712 | S | S | * | * | | | trans | -118.5 | 46.4 | 160.8 | -82.5 | -75.5 | 0 | 0 | 0 | 109.9 | E30 | E30-H32 PolarHBondContact O-N 2.69Š|
| 33 | H | 37.4 | Very low | 41.3 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 83% | 0.833 | 71% | 0.708 | S | S | * | * | | | trans | -104.5 | 81.3 | 158.2 | -66 | -58.1 | 0 | 0 | 0 | 107.8 | S35 | H33-S35 VanDerWaalsContact C-N 3.31Å; H33-S35 PolarHBondContact O-N 2.99Å |
| 34 | Q | 39.1 | Very low | 41.8 | Very low | 184 Ų | 184 | 132.3 Ų | 132.3 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | | | trans | -59.8 | 100.2 | 161.2 | -154.5 | 173.5 | 20 | 0 | 0 | 105.7 | Q36 | Q34-Q36 PolarHBondContact O-N 3.22Š|
| 35 | S | 45.2 | Very low | 42.3 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | | | trans | -55.4 | 109.4 | 170.4 | 50.4 | 0 | 0 | 0 | 0 | 107.1 | H33 | H33-S35 VanDerWaalsContact C-N 3.31Å; H33-S35 PolarHBondContact O-N 2.99Å |
| 36 | Q | 49.1 | Very low | 42.6 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 40% | 0.402 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 136.3 | 175.6 | -67.5 | -168.3 | 34.5 | 0 | 0 | 108.4 | Q34 L38 I44 I45 | Q34-Q36 PolarHBondContact O-N 3.22Å; Q36-L38 PolarHBondContact O-N 3.33Å; Q36-L38 VanDerWaalsContact O-N 3.13Å; Q36-I44 HydrophobicContact CB-CG2 4.29Å; Q36-I44 HydrophobicContact CG-CG2 4.47Å; Q36-I45 PolarHBondContact OE1-O 3.35Å |
| 37 | P | 46.2 | Very low | 43.1 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 62% | 0.617 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 118.5 | 172 | 25.3 | -30.6 | 0 | 0 | 0 | 108.2 | I45 | P37-I45 WeakPolarHBondContact O-CD1 3.41Å; P37-I45 WeakPolarHBondContact O-CG1 3.27Å |
| 38 | L | 51.6 | Low | 43 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 56% | 0.56 | 67% | 0.665 | S | S | * | * | B | Isolated β-bridge | trans | -74.4 | 141.1 | 171.1 | -63.3 | 170.9 | 0 | 0 | 0 | 108.4 | Q36 E43 I44 | Q36-L38 PolarHBondContact O-N 3.33Å; Q36-L38 VanDerWaalsContact O-N 3.13Å; L38-E43 WeakPolarHBondContact CA-O 3.04Å; L38-I44 HydrophobicContact CD2-CG1 4Å |
| 39 | N | 50.4 | Low | 43 | Very low | 55 Ų | 55 | 122.5 Ų | 122.5 | 29% | 0.294 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 170.8 | 168.5 | 71.3 | 11.6 | 0 | 0 | 0 | 110 | A41 G42 E43 I45 | N39-A41 PolarHBondContact O-N 3.45Å; N39-A41 WeakPolarHBondContact OD1-CA 3.33Å; N39-A41 WeakPolarHBondContact OD1-CB 3.49Å; N39-A41 PolarHBondContact OD1-N 3.23Å; N39-G42 PolarHBondContact O-N 3.16Å; N39-G42 PolarHBondContact OD1-N 3.35Å; N39-G42 VanDerWaalsContact OD1-N 3.09Å; N39-E43 PolarHBondContact N-O 2.94Å; N39-E43 PolarHBondContact ND2-OE2 2.9Å; N39-E43 PolarHBondContact OD1-N 3.47Å; N39-I45 HydrophobicContact CB-CD1 4.16Å; N39-I45 HydrophobicContact CB-CG1 4.03Å |
| 40 | A | 50.8 | Low | 42.7 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 98% | 0.983 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -13 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 41 | A | 47.4 | Very low | 42.7 | Very low | 81 Ų | 81 | 116 Ų | 116 | 67% | 0.669 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 2.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N39 E43 | N39-A41 PolarHBondContact O-N 3.45Å; N39-A41 WeakPolarHBondContact OD1-CA 3.33Å; N39-A41 WeakPolarHBondContact OD1-CB 3.49Å; N39-A41 PolarHBondContact OD1-N 3.23Å; A41-E43 VanDerWaalsContact C-N 3.31Å; A41-E43 PolarHBondContact O-N 3.15Å |
| 42 | G | 50.5 | Low | 42.8 | Very low | 47 Ų | 47 | 110.6 Ų | 110.6 | 49% | 0.485 | 67% | 0.665 | S | S | . | * | S | Bend | trans | 76.8 | 13.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N39 | N39-G42 PolarHBondContact O-N 3.16Å; N39-G42 PolarHBondContact OD1-N 3.35Å; N39-G42 VanDerWaalsContact OD1-N 3.09Å |
| 43 | E | 50.9 | Low | 43.1 | Very low | 126 Ų | 126 | 111.4 Ų | 111.4 | 59% | 0.589 | 67% | 0.669 | S | S | * | * | | | trans | -88.5 | 145.5 | 175.7 | -56.5 | 176.7 | 147.8 | 0 | 0 | 110.9 | L38 N39 A41 I45 | L38-E43 WeakPolarHBondContact CA-O 3.04Å; N39-E43 PolarHBondContact N-O 2.94Å; N39-E43 PolarHBondContact ND2-OE2 2.9Å; N39-E43 PolarHBondContact OD1-N 3.47Å; A41-E43 VanDerWaalsContact C-N 3.31Å; A41-E43 PolarHBondContact O-N 3.15Å; E43-I45 PolarHBondContact O-N 3.46Å |
| 44 | I | 50.9 | Low | 43.4 | Very low | 69 Ų | 69 | 110 Ų | 110 | 35% | 0.354 | 66% | 0.658 | S | S | . | * | B | Isolated β-bridge | trans | -69.3 | 116 | 175.9 | -61.1 | 177.5 | 0 | 0 | 0 | 108 | Q36 L38 S46 Y54 | Q36-I44 HydrophobicContact CB-CG2 4.29Å; Q36-I44 HydrophobicContact CG-CG2 4.47Å; L38-I44 HydrophobicContact CD2-CG1 4Å; I44-S46 VanDerWaalsContact C-N 3.28Å; I44-S46 PolarHBondContact O-N 2.03Å; I44-Y54 HydrophobicContact CD1-CD1 4.41Å; I44-Y54 HydrophobicContact CD1-CD2 3.62Å; I44-Y54 HydrophobicContact CD1-CE2 4.12Å; I44-Y54 HydrophobicContact CD1-CG 3.79Å |
| 45 | I | 49.6 | Very low | 43.5 | Very low | 85 Ų | 85 | 107 Ų | 107 | 44% | 0.436 | 65% | 0.647 | S | S | . | * | | | trans | -70.1 | 93.1 | 171.5 | -56.7 | 173.7 | 0 | 0 | 0 | 106.7 | Q36 P37 N39 E43 T47 | Q36-I45 PolarHBondContact OE1-O 3.35Å; P37-I45 WeakPolarHBondContact O-CD1 3.41Å; P37-I45 WeakPolarHBondContact O-CG1 3.27Å; N39-I45 HydrophobicContact CB-CD1 4.16Å; N39-I45 HydrophobicContact CB-CG1 4.03Å; E43-I45 PolarHBondContact O-N 3.46Å; I45-T47 PolarHBondContact O-N 3.45Å |
| 46 | S | 42.2 | Very low | 43.1 | Very low | 107 Ų | 107 | 102.9 Ų | 102.9 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | | | trans | -54.3 | 95 | -176.8 | 170 | 0 | 0 | 0 | 0 | 111.5 | I44 S48 | I44-S46 VanDerWaalsContact C-N 3.28Å; I44-S46 PolarHBondContact O-N 2.03Å; S46-S48 PolarHBondContact O-N 3.04Å |
| 47 | T | 43.3 | Very low | 43.1 | Very low | 100 Ų | 100 | 107 Ų | 107 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | | | trans | -83.2 | 106 | 161.2 | 56 | 0 | 0 | 0 | 0 | 107.7 | I45 | I45-T47 PolarHBondContact O-N 3.45Š|
| 48 | S | 33.9 | Very low | 43 | Very low | 98 Ų | 98 | 113.8 Ų | 113.8 | 69% | 0.685 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -15.8 | 137.7 | 167.3 | 51.4 | 0 | 0 | 0 | 0 | 117.7 | S46 | S46-S48 PolarHBondContact O-N 3.04Š|
| 49 | Q | 31.5 | Very low | 42.8 | Very low | 201 Ų | 201 | 114.9 Ų | 114.9 | 94% | 0.939 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 85 | 82.3 | 165 | -59.1 | -173.4 | -17.9 | 0 | 0 | 116.9 | | |
| 50 | G | 31 | Very low | 42.4 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 67% | 0.674 | S | S | * | * | | | trans | 152.9 | 94.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | C52 | G50-C52 VanDerWaalsContact C-N 3.34Å; G50-C52 PolarHBondContact O-N 3.08Å |
| 51 | S | 32.3 | Very low | 41.6 | Very low | 118 Ų | 118 | 118 Ų | 118 | 83% | 0.825 | 67% | 0.666 | S | S | * | * | | | trans | -69.3 | 86.9 | 179.1 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 52 | C | 33.3 | Very low | 41.2 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 84% | 0.838 | 67% | 0.672 | S | S | * | * | | | trans | -99.6 | 113.8 | 158.2 | -82.5 | 0 | 0 | 0 | 0 | 107.8 | G50 Y54 | G50-C52 VanDerWaalsContact C-N 3.34Å; G50-C52 PolarHBondContact O-N 3.08Å; C52-Y54 PolarHBondContact O-N 3.35Å; C52-Y54 VanDerWaalsContact O-N 3.14Å |
| 53 | H | 39 | Very low | 40.7 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | | | trans | -64.6 | 112.9 | 172.7 | -83.9 | 74.2 | 0 | 0 | 0 | 108.6 | L55 | H53-L55 PolarHBondContact O-N 3.45Š|
| 54 | Y | 43.1 | Very low | 40.1 | Very low | 152 Ų | 152 | 129 Ų | 129 | 60% | 0.596 | 70% | 0.699 | S | S | * | * | | | trans | -68.2 | 96.6 | 171.5 | 179.4 | -107.8 | 0 | 0 | 0 | 108.9 | I44 C52 G56 | I44-Y54 HydrophobicContact CD1-CD1 4.41Å; I44-Y54 HydrophobicContact CD1-CD2 3.62Å; I44-Y54 HydrophobicContact CD1-CE2 4.12Å; I44-Y54 HydrophobicContact CD1-CG 3.79Å; C52-Y54 PolarHBondContact O-N 3.35Å; C52-Y54 VanDerWaalsContact O-N 3.14Å; Y54-G56 PolarHBondContact O-N 3.01Å; Y54-G56 VanDerWaalsContact O-N 3.15Å |
| 55 | L | 40.7 | Very low | 39.4 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 63% | 0.634 | 72% | 0.721 | S | S | * | * | | | trans | -73.8 | 97.9 | 164.6 | -70.7 | 171.1 | 0 | 0 | 0 | 106.3 | H53 F59 | H53-L55 PolarHBondContact O-N 3.45Å; L55-F59 HydrophobicContact CB-CD2 3.63Å; L55-F59 HydrophobicContact CB-CE2 3.69Å; L55-F59 HydrophobicContact CB-CG 4.45Å; L55-F59 HydrophobicContact CD2-CE2 3.87Å; L55-F59 HydrophobicContact CD2-CZ 4.16Å; L55-F59 HydrophobicContact CG-CE2 4.27Å |
| 56 | G | 38.2 | Very low | 38.4 | Very low | 24 Ų | 24 | 130.7 Ų | 130.7 | 25% | 0.247 | 73% | 0.731 | C | S | . | * | | | trans | -57.6 | -176.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y54 R58 F59 | Y54-G56 PolarHBondContact O-N 3.01Å; Y54-G56 VanDerWaalsContact O-N 3.15Å; G56-R58 PolarHBondContact O-N 3.15Å; G56-F59 WeakPolarHBondContact O-CD2 3Å; G56-F59 PolarHBondContact O-N 3.3Å |
| 57 | Q | 47.3 | Very low | 38 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -4 | -171.8 | -59.9 | -173.3 | 76.2 | 0 | 0 | 116.9 | F59 | Q57-F59 VanDerWaalsContact C-N 3.25Å; Q57-F59 PolarHBondContact O-N 3.26Å |
| 58 | R | 46 | Very low | 37.7 | Very low | 236 Ų | 236 | 135 Ų | 135 | 89% | 0.891 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -18.8 | 174.1 | -64.8 | -169 | -95.3 | -152.1 | -0.7 | 113.8 | G56 | G56-R58 PolarHBondContact O-N 3.15Š|
| 59 | F | 47 | Very low | 37.3 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 58% | 0.575 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -95.7 | -18.5 | -173.5 | -69.1 | -81.9 | 0 | 0 | 0 | 115.5 | L55 G56 Q57 | L55-F59 HydrophobicContact CB-CD2 3.63Å; L55-F59 HydrophobicContact CB-CE2 3.69Å; L55-F59 HydrophobicContact CB-CG 4.45Å; L55-F59 HydrophobicContact CD2-CE2 3.87Å; L55-F59 HydrophobicContact CD2-CZ 4.16Å; L55-F59 HydrophobicContact CG-CE2 4.27Å; G56-F59 WeakPolarHBondContact O-CD2 3Å; G56-F59 PolarHBondContact O-N 3.3Å; Q57-F59 VanDerWaalsContact C-N 3.25Å; Q57-F59 PolarHBondContact O-N 3.26Å |
| 60 | F | 41.9 | Very low | 37.3 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -122.4 | 99.6 | 178.8 | -69.4 | -78.4 | 0 | 0 | 0 | 109.3 | F62 | F60-F62 HydrophobicContact CB-CD2 4.21Å; F60-F62 PolarHBondContact O-N 3.25Å |
| 61 | G | 34.3 | Very low | 37.2 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | | | trans | -66.5 | 47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N63 | G61-N63 PolarHBondContact O-N 3.29Š|
| 62 | F | 37.4 | Very low | 37 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -94.4 | 87.5 | 164.9 | -66.5 | -72.1 | 0 | 0 | 0 | 108.3 | F60 N64 | F60-F62 HydrophobicContact CB-CD2 4.21Å; F60-F62 PolarHBondContact O-N 3.25Å; F62-N64 PolarHBondContact O-N 3.15Å |
| 63 | N | 41.7 | Very low | 36.9 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | | | trans | -51.4 | 105.4 | 158.9 | -83.4 | -60.8 | 0 | 0 | 0 | 108.3 | G61 P65 | G61-N63 PolarHBondContact O-N 3.29Å; N63-P65 WeakPolarHBondContact O-CD 3.35Å |
| 64 | N | 36.5 | Very low | 36.4 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | trans | -90.8 | 109.7 | 170.1 | -138.9 | -29 | 0 | 0 | 0 | 106.9 | F62 G66 | F62-N64 PolarHBondContact O-N 3.15Å; N64-G66 VanDerWaalsContact C-N 3.33Å; N64-G66 PolarHBondContact O-N 3.05Å |
| 65 | P | 37.2 | Very low | 36.1 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -79.3 | 85.3 | -178 | 32.6 | -30.7 | 0 | 0 | 0 | 108.2 | N63 | N63-P65 WeakPolarHBondContact O-CD 3.35Š|
| 66 | G | 27.5 | Very low | 35.7 | Very low | 62 Ų | 62 | 142.8 Ų | 142.8 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | | | trans | 166 | 51.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | N64 | N64-G66 VanDerWaalsContact C-N 3.33Å; N64-G66 PolarHBondContact O-N 3.05Å |
| 67 | T | 35.5 | Very low | 35.2 | Very low | 139 Ų | 139 | 145 Ų | 145 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -144.5 | 105 | 152.4 | 37.5 | 0 | 0 | 0 | 0 | 110.3 | G69 | T67-G69 PolarHBondContact O-N 3.12Š|
| 68 | T | 35.7 | Very low | 34.3 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 98% | 0.975 | 80% | 0.804 | S | S | * | * | | | trans | -67.7 | 106.7 | 171 | -12.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 69 | G | 26.4 | Very low | 33.3 | Very low | 62 Ų | 62 | 134.3 Ų | 134.3 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | | | trans | -172.7 | 108.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T67 | T67-G69 PolarHBondContact O-N 3.12Š|
| 70 | S | 30.2 | Very low | 32.4 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | 75.2 | 124.6 | 174.6 | 79.3 | 0 | 0 | 0 | 0 | 117.7 | G72 | S70-G72 PolarHBondContact O-N 3.29Š|
| 71 | Q | 29.9 | Very low | 31.9 | Very low | 210 Ų | 210 | 131.9 Ų | 131.9 | 98% | 0.981 | 81% | 0.805 | S | S | * | * | | | trans | -66.9 | 95.5 | 174.8 | -71.6 | -178.2 | -16.5 | 0 | 0 | 110.2 | | |
| 72 | G | 27.1 | Very low | 31.5 | Very low | 62 Ų | 62 | 132.2 Ų | 132.2 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | | | trans | -136.7 | 73.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S70 L74 | S70-G72 PolarHBondContact O-N 3.29Å; G72-L74 PolarHBondContact O-N 2.76Å |
| 73 | K | 32.5 | Very low | 31.1 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | 37.3 | 73 | 168 | -72 | -176.9 | 175.5 | 179.7 | 0 | 116.4 | L75 | K73-L75 VanDerWaalsContact C-N 3.3Å; K73-L75 PolarHBondContact O-N 3.09Å |
| 74 | L | 28.3 | Very low | 30.9 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | trans | -70.5 | 90.5 | 149.4 | -70.6 | 169.5 | 0 | 0 | 0 | 108 | G72 R76 | G72-L74 PolarHBondContact O-N 2.76Å; L74-R76 PolarHBondContact O-N 3.26Å |
| 75 | L | 37.6 | Very low | 30.9 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | | | trans | -74.9 | 79 | 166.4 | -76.3 | 173.6 | 0 | 0 | 0 | 109 | K73 G77 | K73-L75 VanDerWaalsContact C-N 3.3Å; K73-L75 PolarHBondContact O-N 3.09Å; L75-G77 PolarHBondContact O-N 3.42Å; L75-G77 VanDerWaalsContact O-N 3.15Å |
| 76 | R | 30.5 | Very low | 30.9 | Very low | 246 Ų | 246 | 135.9 Ų | 135.9 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | | | trans | -58.9 | 106.2 | 155.5 | -174.3 | -175.7 | -122.8 | -147.3 | 0.2 | 107.6 | L74 | L74-R76 PolarHBondContact O-N 3.26Š|
| 77 | G | 28.9 | Very low | 31.8 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | trans | -163.1 | 80.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | L75 S79 | L75-G77 PolarHBondContact O-N 3.42Å; L75-G77 VanDerWaalsContact O-N 3.15Å; G77-S79 PolarHBondContact O-N 3.32Å |
| 78 | G | 27.6 | Very low | 32.3 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | -62.9 | 133.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 79 | S | 25.9 | Very low | 33 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -173.6 | 120.9 | 146 | -161.7 | 0 | 0 | 0 | 0 | 108.1 | G77 | G77-S79 PolarHBondContact O-N 3.32Š|
| 80 | T | 28.8 | Very low | 34.1 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 31.6 | 126.5 | 143.9 | 55.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 81 | T | 30.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 85.6 | 107.1 | 175.5 | 59.9 | 0 | 0 | 0 | 0 | 115.4 | Y83 | T81-Y83 VanDerWaalsContact C-N 3.3Å; T81-Y83 PolarHBondContact O-N 3.49Å |
| 82 | G | 26.3 | Very low | 36 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | | | trans | -72.1 | 73.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 83 | Y | 29.4 | Very low | 37 | Very low | 207 Ų | 207 | 130.4 Ų | 130.4 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 117.3 | 155.4 | -72.1 | -87 | 0 | 0 | 0 | 107.3 | T81 S85 | T81-Y83 VanDerWaalsContact C-N 3.3Å; T81-Y83 PolarHBondContact O-N 3.49Å; Y83-S85 PolarHBondContact O-N 3.15Å |
| 84 | L | 35.9 | Very low | 37.7 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 91% | 0.906 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 117.8 | 166.9 | -69.2 | 166.1 | 0 | 0 | 0 | 106.7 | R86 | L84-R86 PolarHBondContact O-N 3.04Š|
| 85 | S | 36.7 | Very low | 38.6 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 117 | 176.5 | 45.5 | 0 | 0 | 0 | 0 | 108.1 | Y83 E87 | Y83-S85 PolarHBondContact O-N 3.15Å; S85-E87 PolarHBondContact O-N 2.9Å |
| 86 | R | 38.6 | Very low | 38.9 | Very low | 202 Ų | 202 | 114 Ų | 114 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | | | trans | -44.5 | 100 | 173.7 | -77.2 | 178.8 | 168.8 | -171.4 | -7 | 109.3 | L84 T88 | L84-R86 PolarHBondContact O-N 3.04Å; R86-T88 PolarHBondContact O-N 2.84Å |
| 87 | E | 44.6 | Very low | 39.7 | Very low | 168 Ų | 168 | 105.9 Ų | 105.9 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | | | trans | -69.9 | 108.9 | 162.4 | -76.9 | -171.8 | 155.4 | 0 | 0 | 105.9 | S85 I89 | S85-E87 PolarHBondContact O-N 2.9Å; E87-I89 PolarHBondContact O-N 3.05Å |
| 88 | T | 47.3 | Very low | 40.4 | Very low | 130 Ų | 130 | 108 Ų | 108 | 80% | 0.798 | 63% | 0.634 | S | S | * | * | | | trans | -60.6 | 108.8 | 168 | 3.2 | 0 | 0 | 0 | 0 | 108.1 | R86 | R86-T88 PolarHBondContact O-N 2.84Š|
| 89 | I | 50.6 | Low | 41.2 | Very low | 57 Ų | 57 | 111.5 Ų | 111.5 | 29% | 0.292 | 63% | 0.633 | S | S | . | * | | | trans | -74.1 | 129.1 | 174 | -56.9 | 173.8 | 0 | 0 | 0 | 107.5 | E87 C91 D93 L94 Y112 | E87-I89 PolarHBondContact O-N 3.05Å; I89-C91 PolarHBondContact O-N 3.4Å; I89-D93 HydrophobicContact CG2-CB 4.11Å; I89-L94 HydrophobicContact CB-CD1 4.1Å; I89-L94 HydrophobicContact CB-CG 4.42Å; I89-L94 HydrophobicContact CG2-CD1 4.04Å; I89-L94 HydrophobicContact CG2-CG 3.87Å; I89-Y112 HydrophobicContact CD1-CD1 4.17Å; I89-Y112 HydrophobicContact CD1-CE1 3.67Å |
| 90 | P | 49.7 | Very low | 41.7 | Very low | 66 Ų | 66 | 109 Ų | 109 | 43% | 0.429 | 62% | 0.622 | S | S | . | * | | | trans | -58 | 135.5 | 173 | -17.1 | 28.5 | 0 | 0 | 0 | 110.3 | E92 D93 L94 | P90-E92 WeakPolarHBondContact CB-OE2 3.47Å; P90-E92 PolarHBondContact O-N 3.15Å; P90-E92 VanDerWaalsContact O-N 3.08Å; P90-D93 PolarHBondContact O-N 3.26Å; P90-L94 PolarHBondContact O-N 3.3Å |
| 91 | C | 45.3 | Very low | 42.1 | Very low | 42 Ų | 42 | 112 Ų | 112 | 28% | 0.284 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.2 | -24.6 | -178.7 | -66.5 | 0 | 0 | 0 | 0 | 113 | I89 D93 L94 N95 C119 | I89-C91 PolarHBondContact O-N 3.4Å; C91-D93 VanDerWaalsContact C-N 3.34Å; C91-L94 PolarHBondContact O-N 3.2Å; C91-N95 PolarHBondContact O-N 3.1Å; C91-C119 WeakPolarHBondContact CA-SG 3.39Å; C91-C119 HydrophobicContact CB-CB 3.66Å; C91-C119 WeakPolarHBondContact CB-SG 3.43Å; C91-C119 VanDerWaalsContact SG-CA 3.52Å; C91-C119 WeakPolarHBondContact SG-CB 3.41Å; C91-C119 CovalentContact SG-SG 2.03Å; C91-C119 PolarHBondContact SG-SG 3.14Å |
| 92 | E | 53.6 | Low | 42.5 | Very low | 141 Ų | 141 | 112.3 Ų | 112.3 | 66% | 0.659 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64 | -37.8 | 176.1 | -59.9 | 76.6 | -163.2 | 0 | 0 | 112.1 | P90 A96 | P90-E92 WeakPolarHBondContact CB-OE2 3.47Å; P90-E92 PolarHBondContact O-N 3.15Å; P90-E92 VanDerWaalsContact O-N 3.08Å; E92-A96 PolarHBondContact O-N 3.02Å |
| 93 | D | 48.8 | Very low | 43.2 | Very low | 100 Ų | 100 | 113.9 Ų | 113.9 | 54% | 0.535 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -76.2 | -28 | 178.5 | -72.5 | -25.2 | 0 | 0 | 0 | 111.7 | I89 P90 C91 | I89-D93 HydrophobicContact CG2-CB 4.11Å; P90-D93 PolarHBondContact O-N 3.26Å; C91-D93 VanDerWaalsContact C-N 3.34Å |
| 94 | L | 47.8 | Very low | 43.9 | Very low | 10 Ų | 10 | 108.3 Ų | 108.3 | 5% | 0.052 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -71.8 | -43.7 | 174.4 | -76.4 | 154.3 | 0 | 0 | 0 | 111.2 | I89 P90 C91 A96 A97 D115 W116 | I89-L94 HydrophobicContact CB-CD1 4.1Å; I89-L94 HydrophobicContact CB-CG 4.42Å; I89-L94 HydrophobicContact CG2-CD1 4.04Å; I89-L94 HydrophobicContact CG2-CG 3.87Å; P90-L94 PolarHBondContact O-N 3.3Å; C91-L94 PolarHBondContact O-N 3.2Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 3.05Å; L94-A97 PolarHBondContact O-N 2.94Å; L94-D115 HydrophobicContact CD1-CB 4.37Å; L94-W116 HydrophobicContact CB-CZ2 4.23Å; L94-W116 VanDerWaalsContact CD2-CD1 3.49Å; L94-W116 HydrophobicContact CD2-CD2 4.47Å; L94-W116 HydrophobicContact CD2-CG 4.23Å; L94-W116 VanDerWaalsContact CD2-NE1 3.28Å; L94-W116 WeakPolarHBondContact O-CH2 3.4Å; L94-W116 WeakPolarHBondContact O-CZ2 3.4Å |
| 95 | N | 45.9 | Very low | 44.1 | Very low | 92 Ų | 92 | 103.9 Ų | 103.9 | 49% | 0.492 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -34 | 176.8 | -82.1 | -23 | 0 | 0 | 0 | 113 | C91 A97 N98 | C91-N95 PolarHBondContact O-N 3.1Å; N95-A97 PolarHBondContact O-N 3.31Å; N95-N98 PolarHBondContact O-N 2.91Å; N95-N98 VanDerWaalsContact O-N 3.15Å |
| 96 | A | 43.5 | Very low | 44.6 | Very low | 72 Ų | 72 | 104.7 Ų | 104.7 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.6 | -24.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E92 L94 N98 | E92-A96 PolarHBondContact O-N 3.02Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 3.05Å; A96-N98 VanDerWaalsContact C-N 3.29Å |
| 97 | A | 48.2 | Very low | 44.8 | Very low | 75 Ų | 75 | 102.9 Ų | 102.9 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -13.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L94 N95 | L94-A97 PolarHBondContact O-N 2.94Å; N95-A97 PolarHBondContact O-N 3.31Å |
| 98 | N | 44.5 | Very low | 44.7 | Very low | 114 Ų | 114 | 99.3 Ų | 99.3 | 61% | 0.61 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -14.9 | -173.5 | -159.4 | 32.6 | 0 | 0 | 0 | 114.1 | N95 A96 G100 W116 | N95-N98 PolarHBondContact O-N 2.91Å; N95-N98 VanDerWaalsContact O-N 3.15Å; A96-N98 VanDerWaalsContact C-N 3.29Å; N98-G100 VanDerWaalsContact C-N 3.28Å; N98-G100 PolarHBondContact O-N 3.42Å; N98-W116 HydrophobicContact CB-CH2 3.82Å; N98-W116 HydrophobicContact CB-CZ2 4.23Å |
| 99 | D | 44.4 | Very low | 44.5 | Very low | 158 Ų | 158 | 94.9 Ų | 94.9 | 85% | 0.845 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -81.3 | 1.2 | -176.3 | -82.7 | -22.7 | 0 | 0 | 0 | 114.7 | | |
| 100 | G | 36.2 | Very low | 44.4 | Very low | 47 Ų | 47 | 96.9 Ų | 96.9 | 49% | 0.485 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -168.7 | 97.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N98 | N98-G100 VanDerWaalsContact C-N 3.28Å; N98-G100 PolarHBondContact O-N 3.42Å |
| 101 | H | 37.3 | Very low | 44.3 | Very low | 183 Ų | 183 | 100.2 Ų | 100.2 | 85% | 0.847 | 58% | 0.575 | S | S | * | * | | | trans | 51.5 | 105.7 | 159.1 | -64.5 | -86.6 | 0 | 0 | 0 | 116.9 | | |
| 102 | T | 37 | Very low | 44.2 | Very low | 129 Ų | 129 | 102.6 Ų | 102.6 | 79% | 0.791 | 58% | 0.579 | S | S | * | * | | | | 174.2 | 131.2 | 104.9 | 30 | 0 | 0 | 0 | 0 | 107.8 | L104 | T102-L104 PolarHBondContact O-N 3.06Š|
| 103 | S | 41 | Very low | 43.9 | Very low | 119 Ų | 119 | 100 Ų | 100 | 83% | 0.832 | 57% | 0.569 | S | S | * | * | | | trans | -51 | 108.1 | 169.3 | 49.4 | 0 | 0 | 0 | 0 | 108.9 | N105 | S103-N105 PolarHBondContact O-N 3.31Š|
| 104 | L | 44.6 | Very low | 43.8 | Very low | 90 Ų | 90 | 99.8 Ų | 99.8 | 47% | 0.471 | 57% | 0.568 | S | S | . | * | | | trans | -53 | 136.1 | 172.2 | -78.8 | 161.1 | 0 | 0 | 0 | 108.1 | T102 Q108 | T102-L104 PolarHBondContact O-N 3.06Å; L104-Q108 HydrophobicContact CB-CB 4.48Å; L104-Q108 HydrophobicContact CD2-CB 4Å |
| 105 | N | 40.3 | Very low | 43.7 | Very low | 81 Ų | 81 | 100.8 Ų | 100.8 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | | | trans | -64.7 | 152.7 | 174.7 | 88.3 | 23.1 | 0 | 0 | 0 | 108.9 | S103 E107 Q108 S109 | S103-N105 PolarHBondContact O-N 3.31Å; N105-E107 PolarHBondContact O-N 2.88Å; N105-E107 WeakPolarHBondContact OD1-CA 3.22Å; N105-E107 WeakPolarHBondContact OD1-CB 3.25Å; N105-E107 PolarHBondContact OD1-N 3.5Å; N105-Q108 PolarHBondContact O-N 3.28Å; N105-Q108 PolarHBondContact OD1-N 2.86Å; N105-S109 PolarHBondContact O-N 2.95Å; N105-S109 VanDerWaalsContact O-N 3.1Å |
| 106 | T | 46.9 | Very low | 43.5 | Very low | 122 Ų | 122 | 99.3 Ų | 99.3 | 75% | 0.748 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.4 | -27 | -174.4 | -42 | 0 | 0 | 0 | 0 | 113.3 | | |
| 107 | E | 43.6 | Very low | 43.6 | Very low | 165 Ų | 165 | 98.7 Ų | 98.7 | 77% | 0.771 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -77.5 | -29 | 177.8 | -56 | -164.5 | 132.7 | 0 | 0 | 112.4 | N105 T110 | N105-E107 PolarHBondContact O-N 2.88Å; N105-E107 WeakPolarHBondContact OD1-CA 3.22Å; N105-E107 WeakPolarHBondContact OD1-CB 3.25Å; N105-E107 PolarHBondContact OD1-N 3.5Å; E107-T110 PolarHBondContact O-OG1 3.01Å |
| 108 | Q | 42.2 | Very low | 43.6 | Very low | 92 Ų | 92 | 100.9 Ų | 100.9 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -76.7 | -35.1 | 172.9 | -70.1 | 177.6 | -28.5 | 0 | 0 | 111.5 | L104 N105 T110 L111 Y112 | L104-Q108 HydrophobicContact CB-CB 4.48Å; L104-Q108 HydrophobicContact CD2-CB 4Å; N105-Q108 PolarHBondContact O-N 3.28Å; N105-Q108 PolarHBondContact OD1-N 2.86Å; Q108-T110 VanDerWaalsContact C-N 3.32Å; Q108-T110 PolarHBondContact O-N 2.98Å; Q108-L111 PolarHBondContact O-N 3.07Å; Q108-Y112 VanDerWaalsContact O-CD2 3.28Å; Q108-Y112 WeakPolarHBondContact O-CD2 3.03Å; Q108-Y112 PolarHBondContact O-N 3.46Å |
| 109 | S | 43 | Very low | 43.6 | Very low | 37 Ų | 37 | 96.8 Ų | 96.8 | 26% | 0.259 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -55.7 | -45 | 178.9 | -143.7 | 0 | 0 | 0 | 0 | 112 | N105 L111 Y112 D113 | N105-S109 PolarHBondContact O-N 2.95Å; N105-S109 VanDerWaalsContact O-N 3.1Å; S109-L111 VanDerWaalsContact C-N 3.25Å; S109-L111 PolarHBondContact O-N 2.98Å; S109-L111 VanDerWaalsContact O-N 3.15Å; S109-Y112 PolarHBondContact O-N 3.22Å; S109-Y112 VanDerWaalsContact O-N 3.09Å; S109-D113 VanDerWaalsContact C-OD2 3.27Å; S109-D113 VanDerWaalsContact O-CB 3.25Å; S109-D113 WeakPolarHBondContact O-CB 3.28Å; S109-D113 PolarHBondContact O-N 2.96Å; S109-D113 PolarHBondContact OG-OD1 3.26Å; S109-D113 PolarHBondContact OG-OD2 3.38Å; S109-D113 VanDerWaalsContact OG-OD2 3.12Å |
| 110 | T | 48.4 | Very low | 43.6 | Very low | 99 Ų | 99 | 93.5 Ų | 93.5 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.3 | -22.5 | -176.8 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | E107 Q108 | E107-T110 PolarHBondContact O-OG1 3.01Å; Q108-T110 VanDerWaalsContact C-N 3.32Å; Q108-T110 PolarHBondContact O-N 2.98Å |
| 111 | L | 48.1 | Very low | 43.8 | Very low | 136 Ų | 136 | 94.4 Ų | 94.4 | 71% | 0.712 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -84.4 | -30.1 | 176.5 | -146.3 | 79.6 | 0 | 0 | 0 | 111.7 | Q108 S109 | Q108-L111 PolarHBondContact O-N 3.07Å; S109-L111 VanDerWaalsContact C-N 3.25Å; S109-L111 PolarHBondContact O-N 2.98Å; S109-L111 VanDerWaalsContact O-N 3.15Å |
| 112 | Y | 43 | Very low | 43.6 | Very low | 92 Ų | 92 | 89.1 Ų | 89.1 | 36% | 0.361 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -101.9 | -16.4 | -175.4 | -73.1 | -76.4 | 0 | 0 | 0 | 114.4 | I89 Q108 S109 N114 D115 W116 | I89-Y112 HydrophobicContact CD1-CD1 4.17Å; I89-Y112 HydrophobicContact CD1-CE1 3.67Å; Q108-Y112 VanDerWaalsContact O-CD2 3.28Å; Q108-Y112 WeakPolarHBondContact O-CD2 3.03Å; Q108-Y112 PolarHBondContact O-N 3.46Å; S109-Y112 PolarHBondContact O-N 3.22Å; S109-Y112 VanDerWaalsContact O-N 3.09Å; Y112-N114 VanDerWaalsContact C-N 3.25Å; Y112-N114 PolarHBondContact O-N 2.69Å; Y112-D115 PolarHBondContact O-N 3.15Å; Y112-D115 VanDerWaalsContact O-N 3.15Å; Y112-W116 WeakPolarHBondContact O-CB 3.39Å; Y112-W116 PolarHBondContact O-N 2.88Å |
| 113 | D | 46.7 | Very low | 43.3 | Very low | 86 Ų | 86 | 91 Ų | 91 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -28.8 | -178.2 | -80.6 | -29.6 | 0 | 0 | 0 | 112.3 | S109 A117 | S109-D113 VanDerWaalsContact C-OD2 3.27Å; S109-D113 VanDerWaalsContact O-CB 3.25Å; S109-D113 WeakPolarHBondContact O-CB 3.28Å; S109-D113 PolarHBondContact O-N 2.96Å; S109-D113 PolarHBondContact OG-OD1 3.26Å; S109-D113 PolarHBondContact OG-OD2 3.38Å; S109-D113 VanDerWaalsContact OG-OD2 3.12Å; D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.36Å; D113-A117 PolarHBondContact O-N 2.96Å; D113-A117 VanDerWaalsContact O-N 3.16Å |
| 114 | N | 46.6 | Very low | 43 | Very low | 96 Ų | 96 | 90 Ų | 90 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71 | -36.1 | 175 | -89.6 | -83.5 | 0 | 0 | 0 | 112.6 | Y112 L118 | Y112-N114 VanDerWaalsContact C-N 3.25Å; Y112-N114 PolarHBondContact O-N 2.69Å; N114-L118 WeakPolarHBondContact O-CD1 3.44Å; N114-L118 WeakPolarHBondContact O-CG 3.44Å |
| 115 | D | 45.3 | Very low | 42.6 | Very low | 31 Ų | 31 | 91.8 Ų | 91.8 | 17% | 0.166 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -85.2 | -31.3 | -177.4 | -67.1 | -26.1 | 0 | 0 | 0 | 111.4 | L94 Y112 L118 C119 | L94-D115 HydrophobicContact CD1-CB 4.37Å; Y112-D115 PolarHBondContact O-N 3.15Å; Y112-D115 VanDerWaalsContact O-N 3.15Å; D115-L118 PolarHBondContact O-N 2.98Å; D115-C119 PolarHBondContact O-N 3.27Å; D115-C119 PolarHBondContact O-SG 3.09Å |
| 116 | W | 43.2 | Very low | 42.2 | Very low | 61 Ų | 61 | 96 Ų | 96 | 23% | 0.231 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -67.3 | -40.4 | 171.7 | -97.1 | 98 | 0 | 0 | 0 | 113.3 | L94 N98 Y112 L118 C119 S120 | L94-W116 HydrophobicContact CB-CZ2 4.23Å; L94-W116 VanDerWaalsContact CD2-CD1 3.49Å; L94-W116 HydrophobicContact CD2-CD2 4.47Å; L94-W116 HydrophobicContact CD2-CG 4.23Å; L94-W116 VanDerWaalsContact CD2-NE1 3.28Å; L94-W116 WeakPolarHBondContact O-CH2 3.4Å; L94-W116 WeakPolarHBondContact O-CZ2 3.4Å; N98-W116 HydrophobicContact CB-CH2 3.82Å; N98-W116 HydrophobicContact CB-CZ2 4.23Å; Y112-W116 WeakPolarHBondContact O-CB 3.39Å; Y112-W116 PolarHBondContact O-N 2.88Å; W116-L118 PolarHBondContact O-N 3.04Å; W116-C119 PolarHBondContact O-N 2.89Å; W116-S120 PolarHBondContact O-N 2.87Å; W116-S120 PolarHBondContact O-OG 3.38Å |
| 117 | A | 44.9 | Very low | 41.5 | Very low | 60 Ų | 60 | 100 Ų | 100 | 50% | 0.496 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.4 | -30.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D113 S120 | D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.36Å; D113-A117 PolarHBondContact O-N 2.96Å; D113-A117 VanDerWaalsContact O-N 3.16Å; A117-S120 WeakPolarHBondContact CA-OG 3.3Å |
| 118 | L | 48.1 | Very low | 41.1 | Very low | 120 Ų | 120 | 101.4 Ų | 101.4 | 63% | 0.628 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74 | -33.2 | 176.7 | -68.9 | 168.5 | 0 | 0 | 0 | 112.2 | N114 D115 W116 | N114-L118 WeakPolarHBondContact O-CD1 3.44Å; N114-L118 WeakPolarHBondContact O-CG 3.44Å; D115-L118 PolarHBondContact O-N 2.98Å; W116-L118 PolarHBondContact O-N 3.04Å |
| 119 | C | 45.1 | Very low | 40.5 | Very low | 28 Ų | 28 | 102.2 Ų | 102.2 | 19% | 0.189 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -82.9 | -28.5 | 179.2 | -67.2 | 0 | 0 | 0 | 0 | 113.8 | C91 D115 W116 A121 | C91-C119 WeakPolarHBondContact CA-SG 3.39Å; C91-C119 HydrophobicContact CB-CB 3.66Å; C91-C119 WeakPolarHBondContact CB-SG 3.43Å; C91-C119 VanDerWaalsContact SG-CA 3.52Å; C91-C119 WeakPolarHBondContact SG-CB 3.41Å; C91-C119 CovalentContact SG-SG 2.03Å; C91-C119 PolarHBondContact SG-SG 3.14Å; D115-C119 PolarHBondContact O-N 3.27Å; D115-C119 PolarHBondContact O-SG 3.09Å; W116-C119 PolarHBondContact O-N 2.89Å; C119-A121 VanDerWaalsContact C-N 3.35Å |
| 120 | S | 43.9 | Very low | 39.9 | Very low | 90 Ų | 90 | 109.3 Ų | 109.3 | 63% | 0.629 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -82.4 | -9.6 | 179.4 | 44.7 | 0 | 0 | 0 | 0 | 114 | W116 A117 G122 | W116-S120 PolarHBondContact O-N 2.87Å; W116-S120 PolarHBondContact O-OG 3.38Å; A117-S120 WeakPolarHBondContact CA-OG 3.3Å; S120-G122 VanDerWaalsContact C-N 3.28Å; S120-G122 PolarHBondContact O-N 3.4Å |
| 121 | A | 41 | Very low | 38.8 | Very low | 65 Ų | 65 | 115.4 Ų | 115.4 | 54% | 0.537 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -1.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C119 E123 | C119-A121 VanDerWaalsContact C-N 3.35Å; A121-E123 PolarHBondContact O-N 2.76Å; A121-E123 VanDerWaalsContact O-N 3.13Å |
| 122 | G | 33.3 | Very low | 38.1 | Very low | 73 Ų | 73 | 114.1 Ų | 114.1 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | | | trans | 69 | 7.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S120 S124 | S120-G122 VanDerWaalsContact C-N 3.28Å; S120-G122 PolarHBondContact O-N 3.4Å; G122-S124 PolarHBondContact O-N 3.23Å |
| 123 | E | 30.9 | Very low | 37.6 | Very low | 168 Ų | 168 | 116.4 Ų | 116.4 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | | | trans | -82.5 | 110.1 | 173.2 | -87.5 | -178.1 | 113.8 | 0 | 0 | 110 | A121 S125 | A121-E123 PolarHBondContact O-N 2.76Å; A121-E123 VanDerWaalsContact O-N 3.13Å; E123-S125 PolarHBondContact O-N 3.13Å |
| 124 | S | 33.2 | Very low | 36.8 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | | | trans | -48.5 | 127.3 | 165.7 | 56.7 | 0 | 0 | 0 | 0 | 108.9 | G122 Q126 | G122-S124 PolarHBondContact O-N 3.23Å; S124-Q126 PolarHBondContact O-N 2.81Å |
| 125 | S | 35.8 | Very low | 36 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 90% | 0.895 | 67% | 0.674 | S | S | * | * | | | trans | -54.4 | 79.2 | 177.5 | -165.2 | 0 | 0 | 0 | 0 | 111.4 | E123 K127 | E123-S125 PolarHBondContact O-N 3.13Å; S125-K127 PolarHBondContact O-N 2.87Å |
| 126 | Q | 32.2 | Very low | 35.2 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | | | trans | -80.7 | 105.4 | 168.6 | -97.2 | -164.1 | -17.1 | 0 | 0 | 106.3 | S124 Q128 | S124-Q126 PolarHBondContact O-N 2.81Å; Q126-Q128 PolarHBondContact O-N 3.46Å |
| 127 | K | 32.6 | Very low | 34.5 | Very low | 205 Ų | 205 | 126.3 Ų | 126.3 | 89% | 0.891 | 73% | 0.727 | S | S | * | * | | | trans | -2.5 | 87 | 159.5 | -72.4 | -177.1 | 174.7 | 179.1 | 0 | 113.2 | S125 S129 | S125-K127 PolarHBondContact O-N 2.87Å; K127-S129 VanDerWaalsContact C-N 3.32Å; K127-S129 PolarHBondContact O-N 3.19Å |
| 128 | Q | 34.7 | Very low | 33.9 | Very low | 195 Ų | 195 | 130.4 Ų | 130.4 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | | | trans | -73.2 | 97.8 | 169.5 | -130.6 | -179.1 | 15.2 | 0 | 0 | 107.1 | Q126 Q130 | Q126-Q128 PolarHBondContact O-N 3.46Å; Q128-Q130 PolarHBondContact O-N 3.44Å |
| 129 | S | 30.9 | Very low | 33 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -48.9 | 127.6 | 166.3 | -173 | 0 | 0 | 0 | 0 | 108.6 | K127 R131 | K127-S129 VanDerWaalsContact C-N 3.32Å; K127-S129 PolarHBondContact O-N 3.19Å; S129-R131 PolarHBondContact O-N 3.42Å; S129-R131 VanDerWaalsContact O-N 3.07Å |
| 130 | Q | 28.8 | Very low | 32.5 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | trans | -49 | 114.9 | 178.5 | -73.2 | 179.2 | -26.4 | 0 | 0 | 110.4 | Q128 | Q128-Q130 PolarHBondContact O-N 3.44Š|
| 131 | R | 27.2 | Very low | 31.8 | Very low | 226 Ų | 226 | 141.4 Ų | 141.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -113.9 | 119.4 | 156.1 | -165 | 175.6 | -178.1 | -164.5 | -0.9 | 107.6 | S129 V133 | S129-R131 PolarHBondContact O-N 3.42Å; S129-R131 VanDerWaalsContact O-N 3.07Å; R131-V133 PolarHBondContact O-N 2.95Å; R131-V133 VanDerWaalsContact O-N 3.15Å |
| 132 | P | 31.6 | Very low | 31.5 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | | | trans | -66.7 | 116.6 | 175.9 | 26.6 | -29.5 | 0 | 0 | 0 | 108 | V134 | P132-V134 PolarHBondContact O-N 2.89Š|
| 133 | V | 33.6 | Very low | 31.4 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | trans | -77.2 | 104.5 | 170.1 | -179.4 | 0 | 0 | 0 | 0 | 106.6 | R131 A135 | R131-V133 PolarHBondContact O-N 2.95Å; R131-V133 VanDerWaalsContact O-N 3.15Å; V133-A135 PolarHBondContact O-N 3.34Å |
| 134 | V | 29.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | | | trans | -65.1 | 126.3 | 168.6 | 177.4 | 0 | 0 | 0 | 0 | 107.5 | P132 T136 | P132-V134 PolarHBondContact O-N 2.89Å; V134-T136 VanDerWaalsContact C-N 3.3Å; V134-T136 PolarHBondContact O-N 3.16Å |
| 135 | A | 30.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -70 | 82.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | V133 | V133-A135 PolarHBondContact O-N 3.34Š|
| 136 | T | 28.1 | Very low | 31.1 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 65% | 0.65 | 82% | 0.817 | S | S | * | * | | | trans | -150.7 | 82.7 | 164.9 | 45.6 | 0 | 0 | 0 | 0 | 108.3 | V134 | V134-T136 VanDerWaalsContact C-N 3.3Å; V134-T136 PolarHBondContact O-N 3.16Å |
| 137 | D | 29.7 | Very low | 30.9 | Very low | 163 Ų | 163 | 140 Ų | 140 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | 171.3 | 66.2 | 147.9 | -93.4 | -20.5 | 0 | 0 | 0 | 109.1 | L139 | D137-L139 VanDerWaalsContact C-N 3.34Å; D137-L139 PolarHBondContact O-N 3.39Å |
| 138 | V | 31.7 | Very low | 30.8 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | | | trans | -81.3 | 95.1 | 152.7 | 178.6 | 0 | 0 | 0 | 0 | 104.4 | | |
| 139 | L | 30.3 | Very low | 30.5 | Very low | 160 Ų | 160 | 137 Ų | 137 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | 166.7 | 83.2 | 151.1 | -87.2 | 172.9 | 0 | 0 | 0 | 109.7 | D137 | D137-L139 VanDerWaalsContact C-N 3.34Å; D137-L139 PolarHBondContact O-N 3.39Å |
| 140 | K | 33.8 | Very low | 30.7 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -153.7 | 121.4 | 146.5 | -126.3 | 171.7 | -176.4 | 174.3 | 0 | 110.1 | T142 | K140-T142 PolarHBondContact O-N 3.23Š|
| 141 | P | 28.1 | Very low | 31.1 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -70.8 | 110.1 | 166.1 | 28.3 | -27.9 | 0 | 0 | 0 | 107.3 | S143 | P141-S143 PolarHBondContact O-N 2.98Š|
| 142 | T | 35 | Very low | 31.4 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | trans | -76.4 | 110.9 | 174.9 | -39.7 | 0 | 0 | 0 | 0 | 108.2 | K140 | K140-T142 PolarHBondContact O-N 3.23Š|
| 143 | S | 30.9 | Very low | 31.5 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | -51.9 | 135 | 171.7 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | P141 | P141-S143 PolarHBondContact O-N 2.98Š|
| 144 | A | 30.8 | Very low | 31.6 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -57.9 | 135.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 145 | S | 30.2 | Very low | 32 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -126.6 | 117.7 | 172 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 146 | S | 33.9 | Very low | 32.2 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -130.4 | 111.6 | 150.8 | -85.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 147 | A | 28.1 | Very low | 32.6 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | | | trans | -56.2 | 154.2 | 158 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 148 | Q | 30.4 | Very low | 33 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | | -163.1 | 135.3 | 54.3 | -73.1 | 176.4 | -25.8 | 0 | 0 | 108.4 | | |
| 149 | Q | 27.1 | Very low | 33.6 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | | 71.2 | 108.1 | 114.7 | -162 | -179.6 | 8.2 | 0 | 0 | 116 | | |
| 150 | L | 35.2 | Very low | 33.8 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | | -171.6 | 107 | 127.6 | -95.1 | 164.5 | 0 | 0 | 0 | 109.4 | | |
| 151 | V | 37.6 | Very low | 34.4 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | 5.7 | 130.6 | 149.4 | -178.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 152 | E | 33.6 | Very low | 35.1 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | trans | -22.1 | 146.8 | 154.1 | -70 | 167.8 | 142.8 | 0 | 0 | 114.9 | | |
| 153 | E | 34.5 | Very low | 35.9 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | cis | -176.5 | 166.9 | 45.3 | -131.7 | 164 | -168.4 | 0 | 0 | 108.5 | | |
| 154 | D | 36.1 | Very low | 36.6 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 102.7 | 114.9 | 149.2 | -121 | -114.4 | 0 | 0 | 0 | 122.6 | | |
| 155 | D | 35.8 | Very low | 37.3 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | 71.1 | 128.6 | 139.9 | -104.3 | -9.6 | 0 | 0 | 0 | 124.2 | | |
| 156 | G | 35.8 | Very low | 37.8 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | | | trans | 125.8 | 93.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 157 | S | 37.1 | Very low | 37.9 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | 74.4 | 117.4 | 133.5 | -163.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 158 | S | 37.4 | Very low | 38.4 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -32.1 | 144.5 | 153.2 | 45.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 159 | N | 43.6 | Very low | 39.1 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | | -174.5 | 142 | 116.7 | -143.3 | 14 | 0 | 0 | 0 | 114 | | |
| 160 | E | 34.8 | Very low | 39.6 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | 21 | 142.8 | 153.3 | 69.1 | -165.9 | 67.7 | 0 | 0 | 121.7 | | |
| 161 | S | 47 | Very low | 39.5 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | cis | -162.2 | 141.3 | 46.1 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 162 | S | 42.2 | Very low | 39.4 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -90.3 | 124.7 | 163.6 | 46.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 163 | E | 52.3 | Low | 39.5 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | -137.4 | 133.7 | 160.2 | -66.7 | -168.1 | 123.5 | 0 | 0 | 110.4 | | |
| 164 | E | 44.5 | Very low | 40 | Very low | 166 Ų | 166 | 125.6 Ų | 125.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -54.3 | 150.6 | 175 | 58.3 | -130 | 76.5 | 0 | 0 | 116.2 | | |
| 165 | N | 45.5 | Very low | 40 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -147.5 | 104.9 | 133.5 | -166.7 | -8 | 0 | 0 | 0 | 110.1 | | |
| 166 | I | 42.2 | Very low | 39.9 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | trans | -86 | 110.7 | 166.8 | -60.6 | 160.6 | 0 | 0 | 0 | 106.2 | | |
| 167 | G | 34.5 | Very low | 40.1 | Very low | 63 Ų | 63 | 123 Ų | 123 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | trans | -145.5 | 96.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 168 | S | 38.9 | Very low | 40 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -66.9 | 128.3 | -179.8 | -47.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 169 | E | 45.9 | Very low | 39.9 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | | | trans | -153.7 | 121 | 150 | 42.4 | -169.4 | 109.9 | 0 | 0 | 114 | | |
| 170 | S | 37.5 | Very low | 39.6 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -5.8 | 123.5 | 166.5 | -155.3 | 0 | 0 | 0 | 0 | 119.9 | T172 | S170-T172 PolarHBondContact O-N 2.99Š|
| 171 | A | 33.1 | Very low | 39.6 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -58.3 | 118.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 172 | T | 34.3 | Very low | 39.2 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | | | trans | -134.7 | 86.6 | 156.3 | -48.8 | 0 | 0 | 0 | 0 | 107.7 | S170 | S170-T172 PolarHBondContact O-N 2.99Š|
| 173 | A | 36.1 | Very low | 38.7 | Very low | 88 Ų | 88 | 126.4 Ų | 126.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -68.4 | 125.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | S175 | A173-S175 PolarHBondContact O-N 2.85Š|
| 174 | P | 45 | Very low | 37.9 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -72.2 | 105 | 169.3 | 28.1 | -29.7 | 0 | 0 | 0 | 108.3 | G176 | P174-G176 VanDerWaalsContact C-N 3.27Å; P174-G176 PolarHBondContact O-N 3.35Å |
| 175 | S | 36.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -68.3 | 87.5 | 161.7 | 60.1 | 0 | 0 | 0 | 0 | 108.6 | A173 T177 | A173-S175 PolarHBondContact O-N 2.85Å; S175-T177 PolarHBondContact O-N 3.21Å |
| 176 | G | 34.7 | Very low | 37.2 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | -81.6 | 101.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P174 | P174-G176 VanDerWaalsContact C-N 3.27Å; P174-G176 PolarHBondContact O-N 3.35Å |
| 177 | T | 38.7 | Very low | 37 | Very low | 119 Ų | 119 | 116 Ų | 116 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | | | trans | -60.2 | 136.8 | 167.7 | 33.7 | 0 | 0 | 0 | 0 | 111.9 | S175 E179 | S175-T177 PolarHBondContact O-N 3.21Å; T177-E179 PolarHBondContact O-N 3.34Å |
| 178 | P | 36.5 | Very low | 37.3 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -87.6 | 78.4 | 170.3 | 35.4 | -29 | 0 | 0 | 0 | 109.2 | | |
| 179 | E | 33.6 | Very low | 37.5 | Very low | 175 Ų | 175 | 119 Ų | 119 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -138.9 | 102 | 167 | -93.6 | -165.7 | 105.6 | 0 | 0 | 110.4 | T177 | T177-E179 PolarHBondContact O-N 3.34Š|
| 180 | Q | 38.7 | Very low | 37.8 | Very low | 199 Ų | 199 | 115 Ų | 115 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | | | trans | -163.2 | 80.6 | 133.7 | -106 | 178 | 28.4 | 0 | 0 | 108.8 | | |
| 181 | A | 33.2 | Very low | 38.4 | Very low | 106 Ų | 106 | 114 Ų | 114 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | | | trans | -84.1 | 98.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 182 | A | 38.9 | Very low | 39.6 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -175.5 | 127.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 183 | G | 31.3 | Very low | 40.8 | Very low | 79 Ų | 79 | 116.5 Ų | 116.5 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | 113.9 | 85.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 184 | S | 37.3 | Very low | 42.1 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | | -179.8 | 134.3 | 96.6 | -158.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 185 | S | 36.1 | Very low | 43.2 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | -53.7 | 130.2 | 172.1 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 186 | G | 38.3 | Very low | 44.9 | Very low | 73 Ų | 73 | 120 Ų | 120 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | trans | -171.5 | 87.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | S188 | G186-S188 PolarHBondContact O-N 3.44Š|
| 187 | S | 38.4 | Very low | 46.2 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | -41.7 | 116.7 | 173.3 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 188 | S | 39.6 | Very low | 47.3 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | trans | -172.5 | 122.8 | 147.5 | -80.1 | 0 | 0 | 0 | 0 | 107.6 | G186 S190 | G186-S188 PolarHBondContact O-N 3.44Å; S188-S190 PolarHBondContact O-N 2.7Å |
| 189 | S | 43.3 | Very low | 48.3 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | | | trans | -53.9 | 95.2 | 174.8 | 170 | 0 | 0 | 0 | 0 | 109.8 | | |
| 190 | S | 52.9 | Low | 49.4 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | -88.3 | 112.5 | 176.8 | 51.3 | 0 | 0 | 0 | 0 | 108.3 | S188 Q192 | S188-S190 PolarHBondContact O-N 2.7Å; S190-Q192 PolarHBondContact O-N 3.15Å |
| 191 | A | 51.1 | Low | 50 | Low | 81 Ų | 81 | 120.3 Ų | 120.3 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | | | trans | -53.4 | 132.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | I193 | A191-I193 VanDerWaalsContact C-N 3.34Å; A191-I193 PolarHBondContact O-N 2.84Å |
| 192 | Q | 57.2 | Low | 50.8 | Low | 189 Ų | 189 | 119.5 Ų | 119.5 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | | | trans | -64 | 97.4 | 174.3 | -79.9 | -176.9 | -42.4 | 0 | 0 | 109.1 | S190 Y194 | S190-Q192 PolarHBondContact O-N 3.15Å; Q192-Y194 PolarHBondContact O-N 2.82Å |
| 193 | I | 60.3 | Low | 51.1 | Low | 84 Ų | 84 | 121.4 Ų | 121.4 | 43% | 0.431 | 71% | 0.712 | S | S | . | * | | | trans | -80.6 | 115.4 | 174.1 | -66.5 | 172.7 | 0 | 0 | 0 | 107.2 | A191 M197 K198 | A191-I193 VanDerWaalsContact C-N 3.34Å; A191-I193 PolarHBondContact O-N 2.84Å; I193-M197 HydrophobicContact CG2-CB 3.35Å; I193-M197 HydrophobicContact CG2-CG 4.4Å; I193-M197 HydrophobicContact CG2-SD 4.24Å; I193-K198 HydrophobicContact CG2-CG 4.29Å |
| 194 | Y | 63 | Low | 51.7 | Low | 155 Ų | 155 | 127.6 Ų | 127.6 | 61% | 0.608 | 72% | 0.717 | S | S | * | * | | | trans | -56.5 | 145.9 | 176.8 | -70.5 | -82.1 | 0 | 0 | 0 | 111 | Q192 W196 M197 | Q192-Y194 PolarHBondContact O-N 2.82Å; Y194-W196 VanDerWaalsContact CB-CD1 3.46Å; Y194-W196 VanDerWaalsContact CB-NE1 3.3Å; Y194-W196 AromaticContact CG-NE1 3.9Å; Y194-W196 PolarHBondContact O-N 2.81Å; Y194-M197 HydrophobicContact CD2-CE 4.35Å; Y194-M197 PolarHBondContact O-N 3.24Å |
| 195 | P | 68.8 | Low | 51.8 | Low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -31.3 | -174.5 | -29.8 | 35.2 | 0 | 0 | 0 | 115 | K198 | P195-K198 PolarHBondContact O-N 2.81Š|
| 196 | W | 70.3 | Confident | 52 | Low | 138 Ų | 138 | 129.3 Ų | 129.3 | 52% | 0.523 | 71% | 0.714 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | -32.3 | 178.2 | 66.1 | -96.6 | 0 | 0 | 0 | 113.7 | Y194 K198 R199 | Y194-W196 VanDerWaalsContact CB-CD1 3.46Å; Y194-W196 VanDerWaalsContact CB-NE1 3.3Å; Y194-W196 AromaticContact CG-NE1 3.9Å; Y194-W196 PolarHBondContact O-N 2.81Å; W196-K198 VanDerWaalsContact C-N 3.28Å; W196-K198 PolarHBondContact O-N 3.27Å; W196-R199 PolarHBondContact O-N 3.36Å |
| 197 | M | 62.4 | Low | 52 | Low | 63 Ų | 63 | 132.4 Ų | 132.4 | 31% | 0.31 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -71.9 | -21.3 | 178.3 | -78.8 | -179.9 | -158.7 | 0 | 0 | 112.5 | I193 Y194 R199 F200 H201 | I193-M197 HydrophobicContact CG2-CB 3.35Å; I193-M197 HydrophobicContact CG2-CG 4.4Å; I193-M197 HydrophobicContact CG2-SD 4.24Å; Y194-M197 HydrophobicContact CD2-CE 4.35Å; Y194-M197 PolarHBondContact O-N 3.24Å; M197-R199 PolarHBondContact O-N 3.37Å; M197-F200 PolarHBondContact O-N 2.74Å; M197-F200 VanDerWaalsContact O-N 3.16Å; M197-H201 PolarHBondContact O-CD2 2.86Å |
| 198 | K | 62.5 | Low | 52.1 | Low | 148 Ų | 148 | 134 Ų | 134 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -62.9 | -25.3 | 175.5 | -69.5 | -171.2 | 178.1 | -178.2 | 0 | 112.9 | I193 P195 W196 F200 H201 | I193-K198 HydrophobicContact CG2-CG 4.29Å; P195-K198 PolarHBondContact O-N 2.81Å; W196-K198 VanDerWaalsContact C-N 3.28Å; W196-K198 PolarHBondContact O-N 3.27Å; K198-F200 PolarHBondContact O-N 2.94Å; K198-H201 PolarHBondContact O-N 2.73Å |
| 199 | R | 57.8 | Low | 52.3 | Low | 201 Ų | 201 | 134.5 Ų | 134.5 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -68.1 | -21.9 | 177.4 | -70.3 | -171.1 | -93.2 | -140.4 | 0.9 | 113.3 | W196 M197 | W196-R199 PolarHBondContact O-N 3.36Å; M197-R199 PolarHBondContact O-N 3.37Å |
| 200 | F | 56.6 | Low | 52.1 | Low | 163 Ų | 163 | 138.6 Ų | 138.6 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -95.7 | -4.3 | -178.1 | -70.3 | -81.7 | 0 | 0 | 0 | 114.1 | M197 K198 | M197-F200 PolarHBondContact O-N 2.74Å; M197-F200 VanDerWaalsContact O-N 3.16Å; K198-F200 PolarHBondContact O-N 2.94Å |
| 201 | H | 49.8 | Very low | 51.5 | Low | 129 Ų | 129 | 138.3 Ų | 138.3 | 60% | 0.597 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -108.1 | 4.7 | -178.2 | -66.7 | -59.9 | 0 | 0 | 0 | 114.7 | M197 K198 T203 | M197-H201 PolarHBondContact O-CD2 2.86Å; K198-H201 PolarHBondContact O-N 2.73Å; H201-T203 VanDerWaalsContact C-N 3.29Å; H201-T203 PolarHBondContact O-N 3.05Å |
| 202 | A | 50.6 | Low | 51 | Low | 88 Ų | 88 | 140.9 Ų | 140.9 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -76.9 | -6 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 203 | T | 45.6 | Very low | 50 | Low | 141 Ų | 141 | 134.9 Ų | 134.9 | 87% | 0.865 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -122.8 | 48.7 | -173.3 | -33.8 | 0 | 0 | 0 | 0 | 113 | H201 | H201-T203 VanDerWaalsContact C-N 3.29Å; H201-T203 PolarHBondContact O-N 3.05Å |
| 204 | K | 44.4 | Very low | 48.8 | Very low | 209 Ų | 209 | 141.6 Ų | 141.6 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -141.7 | 69.8 | 169.3 | -144.2 | -179.6 | -172 | -179.2 | 0 | 110.6 | | |
| 205 | G | 38.1 | Very low | 47.8 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | | | trans | 171.3 | 48.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 206 | K | 41.4 | Very low | 46.6 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 73% | 0.73 | S | S | * | * | | | trans | -136.4 | 53.9 | 156.4 | -74.3 | -170.4 | -178.4 | 175 | 0 | 109.9 | Q208 | K206-Q208 PolarHBondContact O-N 3.31Š|
| 207 | T | 38.6 | Very low | 45.3 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | trans | -75.6 | 103.4 | 153.2 | -44.3 | 0 | 0 | 0 | 0 | 104.9 | | |
| 208 | Q | 40.8 | Very low | 44.1 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | | | trans | -52 | 136.4 | 168.5 | -71.8 | -159.6 | -10.1 | 0 | 0 | 108.2 | K206 Y210 | K206-Q208 PolarHBondContact O-N 3.31Å; Q208-Y210 VanDerWaalsContact C-N 3.35Å; Q208-Y210 PolarHBondContact O-N 2.88Å |
| 209 | P | 42.2 | Very low | 43 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | -62.2 | 109.8 | 160.2 | 27.6 | -28.7 | 0 | 0 | 0 | 105.2 | S211 | P209-S211 PolarHBondContact O-N 3.01Š|
| 210 | Y | 39.1 | Very low | 42.1 | Very low | 216 Ų | 216 | 146.8 Ų | 146.8 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | | | trans | -56.5 | 93.1 | 151.2 | -96.9 | -91.7 | 0 | 0 | 0 | 105 | Q208 T212 | Q208-Y210 VanDerWaalsContact C-N 3.35Å; Q208-Y210 PolarHBondContact O-N 2.88Å; Y210-T212 PolarHBondContact O-N 3.15Å |
| 211 | S | 41.9 | Very low | 41.5 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -48 | 114.9 | 159.3 | 169.4 | 0 | 0 | 0 | 0 | 105.3 | P209 G213 | P209-S211 PolarHBondContact O-N 3.01Å; S211-G213 PolarHBondContact O-N 3.17Å |
| 212 | T | 38.9 | Very low | 41.2 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -64 | 73.6 | 167.9 | 35.6 | 0 | 0 | 0 | 0 | 108.2 | Y210 R214 | Y210-T212 PolarHBondContact O-N 3.15Å; T212-R214 PolarHBondContact O-N 3.16Å |
| 213 | G | 37.1 | Very low | 41.1 | Very low | 62 Ų | 62 | 151.9 Ų | 151.9 | 64% | 0.639 | 82% | 0.824 | S | S | * | * | | | trans | -65.7 | 86 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | S211 | S211-G213 PolarHBondContact O-N 3.17Š|
| 214 | R | 35.1 | Very low | 40.9 | Very low | 225 Ų | 225 | 152.4 Ų | 152.4 | 85% | 0.849 | 82% | 0.822 | S | S | * | * | | | trans | -47.1 | 129.9 | 158.9 | -79.3 | -179.6 | 163.2 | -170.3 | -4.3 | 107.4 | T212 N216 | T212-R214 PolarHBondContact O-N 3.16Å; R214-N216 PolarHBondContact O-N 3.27Å |
| 215 | P | 41.9 | Very low | 40.7 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 66% | 0.662 | 82% | 0.818 | S | S | * | * | | | trans | -61.6 | 114.9 | 164.5 | 25.1 | -29.4 | 0 | 0 | 0 | 106.7 | F217 | P215-F217 HydrophobicContact CB-CD2 4.09Å; P215-F217 HydrophobicContact CB-CE2 4.31Å; P215-F217 HydrophobicContact CG-CD2 4.37Å; P215-F217 PolarHBondContact O-N 3.46Å |
| 216 | N | 43.3 | Very low | 40.9 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 76% | 0.759 | 82% | 0.823 | S | S | * | * | | | trans | -69.1 | 82.6 | 171.4 | -171.5 | 5.5 | 0 | 0 | 0 | 108 | R214 N218 | R214-N216 PolarHBondContact O-N 3.27Å; N216-N218 PolarHBondContact O-N 3.08Å; N216-N218 VanDerWaalsContact O-N 3.08Å; N216-N218 PolarHBondContact OD1-N 2.85Å |
| 217 | F | 42.8 | Very low | 40.8 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | -76.3 | 75 | 161.8 | -91.5 | -87.9 | 0 | 0 | 0 | 107.9 | P215 | P215-F217 HydrophobicContact CB-CD2 4.09Å; P215-F217 HydrophobicContact CB-CE2 4.31Å; P215-F217 HydrophobicContact CG-CD2 4.37Å; P215-F217 PolarHBondContact O-N 3.46Å |
| 218 | N | 37.5 | Very low | 41 | Very low | 141 Ų | 141 | 151.5 Ų | 151.5 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | | | trans | -165.4 | 140.9 | 152.4 | -108.5 | -23.3 | 0 | 0 | 0 | 111.8 | N216 | N216-N218 PolarHBondContact O-N 3.08Å; N216-N218 VanDerWaalsContact O-N 3.08Å; N216-N218 PolarHBondContact OD1-N 2.85Å |
| 219 | A | 40.4 | Very low | 41 | Very low | 95 Ų | 95 | 151.2 Ų | 151.2 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | trans | 87.6 | 72.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 220 | R | 38.3 | Very low | 40.9 | Very low | 253 Ų | 253 | 153.5 Ų | 153.5 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | | | trans | -141.7 | 81.2 | 136.6 | -157 | 174.9 | -165.1 | -150.5 | 2 | 110.4 | | |
| 221 | S | 44.3 | Very low | 41 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 70% | 0.699 | 83% | 0.825 | S | S | * | * | | | trans | -133.8 | 79.7 | 166.1 | 55.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 222 | H | 42.7 | Very low | 41 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | | | trans | -164.7 | 98.3 | 159.8 | -85.2 | -65.8 | 0 | 0 | 0 | 108.4 | | |
| 223 | S | 49.5 | Very low | 41.2 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 100% | 1.357 | 83% | 0.834 | S | S | * | * | | | trans | -169.6 | 0 | 144.9 | 63 | 0 | 0 | 0 | 0 | 108.2 | | |