| 1 | M | 51.1 | Low | 56.3 | Low | 245 Ų | 245 | 169.6 Ų | 169.6 | 100% | 1.207 | 80% | 0.801 | S | S | * | * | | | | 0 | 120 | 0 | -78.9 | 174.6 | 157 | 0 | 0 | 110.1 | | |
| 2 | K | 51.6 | Low | 56.4 | Low | 211 Ų | 211 | 160.8 Ų | 160.8 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | | | trans | -84.2 | 110.5 | -177.7 | -84.7 | 171.2 | 172.9 | 170.3 | 0 | 110.6 | R4 | K2-R4 PolarHBondContact O-N 2.93Š|
| 3 | K | 59 | Low | 56.4 | Low | 213 Ų | 213 | 153 Ų | 153 | 93% | 0.926 | 75% | 0.746 | S | S | * | * | | | trans | -71 | 106.8 | 171.7 | -73.7 | -175.1 | 176.3 | 179.5 | 0 | 109.6 | | |
| 4 | R | 59.7 | Low | 56.6 | Low | 233 Ų | 233 | 146.4 Ų | 146.4 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | trans | -80 | 125.3 | 169.1 | -64.9 | 179.6 | 103.9 | 165.5 | 3.3 | 108.4 | K2 L6 | K2-R4 PolarHBondContact O-N 2.93Å; R4-L6 PolarHBondContact O-N 2.71Å; R4-L6 VanDerWaalsContact O-N 3.11Å |
| 5 | K | 59.7 | Low | 56.8 | Low | 208 Ų | 208 | 149.9 Ų | 149.9 | 90% | 0.904 | 73% | 0.73 | S | S | * | * | | | trans | -67.2 | 103.3 | 174.5 | -70.7 | -177.2 | 176.3 | -178.5 | 0 | 109 | | |
| 6 | L | 60 | Low | 57 | Low | 146 Ų | 146 | 151.5 Ų | 151.5 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | | | trans | -64.8 | 147.1 | 158.4 | -75.9 | 144.9 | 0 | 0 | 0 | 107.7 | R4 | R4-L6 PolarHBondContact O-N 2.71Å; R4-L6 VanDerWaalsContact O-N 3.11Å |
| 7 | F | 55.1 | Low | 57.2 | Low | 161 Ų | 161 | 148.6 Ų | 148.6 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | | | trans | 89.4 | 77 | 175.4 | -46.5 | -72.3 | 0 | 0 | 0 | 119 | L10 | F7-L10 HydrophobicContact CB-CD1 3.82Å; F7-L10 HydrophobicContact CB-CG 4.43Å; F7-L10 HydrophobicContact CD1-CD1 4.03Å; F7-L10 HydrophobicContact CD1-CG 4.42Å; F7-L10 HydrophobicContact CG-CD1 3.97Å |
| 8 | P | 57.9 | Low | 57.5 | Low | 107 Ų | 107 | 151.8 Ų | 151.8 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -85.4 | -15.8 | 156.2 | -0.9 | 19.4 | 0 | 0 | 0 | 113.8 | P11 | P8-P11 VanDerWaalsContact O-CD 3.29Å; P8-P11 WeakPolarHBondContact O-CD 2.96Å |
| 9 | E | 56.4 | Low | 57.6 | Low | 141 Ų | 141 | 154.6 Ų | 154.6 | 66% | 0.659 | 73% | 0.725 | S | S | * | * | | | trans | -96.8 | -7.3 | -159.8 | -72 | -65 | 143.3 | 0 | 0 | 116.1 | | |
| 10 | L | 53.3 | Low | 57.6 | Low | 117 Ų | 117 | 157.1 Ų | 157.1 | 61% | 0.613 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -65.6 | -27.6 | -177.9 | -72.5 | 164.6 | 0 | 0 | 0 | 116.2 | F7 T12 | F7-L10 HydrophobicContact CB-CD1 3.82Å; F7-L10 HydrophobicContact CB-CG 4.43Å; F7-L10 HydrophobicContact CD1-CD1 4.03Å; F7-L10 HydrophobicContact CD1-CG 4.42Å; F7-L10 HydrophobicContact CG-CD1 3.97Å; L10-T12 PolarHBondContact O-N 2.98Å |
| 11 | P | 55.6 | Low | 57.5 | Low | 84 Ų | 84 | 157.4 Ų | 157.4 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -67.4 | -23.7 | -178.7 | -17 | 29.5 | 0 | 0 | 0 | 113.7 | P8 | P8-P11 VanDerWaalsContact O-CD 3.29Å; P8-P11 WeakPolarHBondContact O-CD 2.96Å |
| 12 | T | 57.9 | Low | 57.8 | Low | 64 Ų | 64 | 155.6 Ų | 155.6 | 39% | 0.393 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -82 | -36.7 | -169.8 | -49.2 | 0 | 0 | 0 | 0 | 112 | L10 R16 | L10-T12 PolarHBondContact O-N 2.98Å; T12-R16 WeakPolarHBondContact O-CG 3.3Å; T12-R16 PolarHBondContact O-N 2.78Å |
| 13 | A | 56.7 | Low | 58 | Low | 59 Ų | 59 | 147.9 Ų | 147.9 | 49% | 0.488 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -68.9 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | R15 R16 V17 | A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 2.98Å; A13-R16 WeakPolarHBondContact O-CB 3.4Å; A13-R16 PolarHBondContact O-N 2.72Å; A13-R16 VanDerWaalsContact O-N 3.1Å; A13-V17 PolarHBondContact O-N 3.42Å |
| 14 | A | 58.7 | Low | 57.9 | Low | 61 Ų | 61 | 144.5 Ų | 144.5 | 50% | 0.504 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -62.7 | -37.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R16 V17 R18 | A14-R16 VanDerWaalsContact C-N 3.34Å; A14-R16 PolarHBondContact O-N 3.09Å; A14-V17 PolarHBondContact O-N 2.9Å; A14-R18 PolarHBondContact O-N 3.35Å |
| 15 | R | 59.6 | Low | 57.7 | Low | 198 Ų | 198 | 139.1 Ų | 139.1 | 75% | 0.747 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.1 | -35 | 174 | -83.8 | -177.5 | 166.3 | -173 | -2.1 | 112.8 | A13 R19 | A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 2.98Å; R15-R19 PolarHBondContact O-N 3.46Å |
| 16 | R | 60 | Low | 57.6 | Low | 176 Ų | 176 | 133 Ų | 133 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69 | -39.5 | 178.1 | -73.8 | 177.1 | -179.1 | -166.5 | 1.9 | 112.1 | T12 A13 A14 R19 R20 | T12-R16 WeakPolarHBondContact O-CG 3.3Å; T12-R16 PolarHBondContact O-N 2.78Å; A13-R16 WeakPolarHBondContact O-CB 3.4Å; A13-R16 PolarHBondContact O-N 2.72Å; A13-R16 VanDerWaalsContact O-N 3.1Å; A14-R16 VanDerWaalsContact C-N 3.34Å; A14-R16 PolarHBondContact O-N 3.09Å; R16-R19 PolarHBondContact O-N 2.83Å; R16-R20 PolarHBondContact O-N 3.29Å |
| 17 | V | 60.2 | Low | 57.4 | Low | 102 Ų | 102 | 136.4 Ų | 136.4 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65 | -46.5 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | A13 A14 R19 R20 Y21 | A13-V17 PolarHBondContact O-N 3.42Å; A14-V17 PolarHBondContact O-N 2.9Å; V17-R19 VanDerWaalsContact C-N 3.32Å; V17-R19 PolarHBondContact O-N 3.24Å; V17-R20 PolarHBondContact O-N 3.46Å; V17-R20 VanDerWaalsContact O-N 3.15Å; V17-Y21 PolarHBondContact O-N 3.47Å |
| 18 | R | 62.6 | Low | 57.2 | Low | 206 Ų | 206 | 134 Ų | 134 | 78% | 0.777 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.1 | -37.5 | 178.2 | -77.6 | -173.6 | 176.8 | -169.9 | 0.2 | 113.4 | A14 R22 | A14-R18 PolarHBondContact O-N 3.35Å; R18-R22 PolarHBondContact O-N 3.28Å |
| 19 | R | 59.7 | Low | 57 | Low | 205 Ų | 205 | 135.4 Ų | 135.4 | 77% | 0.774 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.3 | -36.8 | 177 | -76.9 | -170.5 | 179.5 | -149.1 | 1.3 | 112.6 | R15 R16 V17 A23 | R15-R19 PolarHBondContact O-N 3.46Å; R16-R19 PolarHBondContact O-N 2.83Å; V17-R19 VanDerWaalsContact C-N 3.32Å; V17-R19 PolarHBondContact O-N 3.24Å; R19-A23 PolarHBondContact O-N 3.25Å |
| 20 | R | 58 | Low | 56.6 | Low | 205 Ų | 205 | 134.2 Ų | 134.2 | 77% | 0.774 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.6 | -39.8 | 178.3 | -71 | -175 | 179 | -157.9 | -0.3 | 112.1 | R16 V17 R22 A23 H24 | R16-R20 PolarHBondContact O-N 3.29Å; V17-R20 PolarHBondContact O-N 3.46Å; V17-R20 VanDerWaalsContact O-N 3.15Å; R20-R22 PolarHBondContact O-N 3.35Å; R20-A23 PolarHBondContact O-N 3.41Å; R20-H24 PolarHBondContact O-N 2.75Å |
| 21 | Y | 55.8 | Low | 56.2 | Low | 163 Ų | 163 | 136.2 Ų | 136.2 | 64% | 0.639 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.5 | -41.3 | 177.7 | -156.8 | -103.9 | 0 | 0 | 0 | 112.2 | V17 H24 Q25 | V17-Y21 PolarHBondContact O-N 3.47Å; Y21-H24 PolarHBondContact O-N 2.98Å; Y21-Q25 PolarHBondContact O-N 3.19Å; Y21-Q25 VanDerWaalsContact O-N 3.14Å |
| 22 | R | 57.2 | Low | 55.5 | Low | 207 Ų | 207 | 135.1 Ų | 135.1 | 78% | 0.781 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.5 | -36.5 | 178.5 | -161.4 | 174.5 | -173.1 | 177.6 | 1.8 | 113.3 | R18 R20 H24 Q25 S26 | R18-R22 PolarHBondContact O-N 3.28Å; R20-R22 PolarHBondContact O-N 3.35Å; R22-H24 VanDerWaalsContact C-N 3.32Å; R22-Q25 PolarHBondContact O-N 3.49Å; R22-S26 PolarHBondContact O-N 3.32Å |
| 23 | A | 55 | Low | 55.1 | Low | 50 Ų | 50 | 141.6 Ų | 141.6 | 41% | 0.413 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -71.2 | -27.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | R19 R20 S26 | R19-A23 PolarHBondContact O-N 3.25Å; R20-A23 PolarHBondContact O-N 3.41Å; A23-S26 PolarHBondContact O-OG 3.36Å |
| 24 | H | 56.2 | Low | 54.4 | Low | 141 Ų | 141 | 144.8 Ų | 144.8 | 65% | 0.653 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -75.2 | -40.3 | 175.2 | -151.9 | -81 | 0 | 0 | 0 | 111.2 | R20 Y21 R22 S26 R27 | R20-H24 PolarHBondContact O-N 2.75Å; Y21-H24 PolarHBondContact O-N 2.98Å; R22-H24 VanDerWaalsContact C-N 3.32Å; H24-S26 PolarHBondContact O-N 3.42Å; H24-R27 PolarHBondContact O-N 3.29Å |
| 25 | Q | 56.9 | Low | 53.6 | Low | 120 Ų | 120 | 148.8 Ų | 148.8 | 56% | 0.561 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -66.1 | -33.8 | 176.4 | -72.5 | -171.3 | -11.7 | 0 | 0 | 113.3 | Y21 R22 R27 V28 | Y21-Q25 PolarHBondContact O-N 3.19Å; Y21-Q25 VanDerWaalsContact O-N 3.14Å; R22-Q25 PolarHBondContact O-N 3.49Å; Q25-R27 PolarHBondContact O-N 3.26Å; Q25-V28 PolarHBondContact O-N 3.39Å |
| 26 | S | 58.1 | Low | 52.9 | Low | 80 Ų | 80 | 149.6 Ų | 149.6 | 56% | 0.559 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -10.7 | 178.7 | 66.6 | 0 | 0 | 0 | 0 | 114.5 | R22 A23 H24 | R22-S26 PolarHBondContact O-N 3.32Å; A23-S26 PolarHBondContact O-OG 3.36Å; H24-S26 PolarHBondContact O-N 3.42Å |
| 27 | R | 54.5 | Low | 52.3 | Low | 218 Ų | 218 | 147.5 Ų | 147.5 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -11.8 | 176.8 | -72.2 | -178.5 | 177.9 | -168.3 | -1 | 113.1 | H24 Q25 L29 | H24-R27 PolarHBondContact O-N 3.29Å; Q25-R27 PolarHBondContact O-N 3.26Å; R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 3.42Å |
| 28 | V | 50.2 | Low | 51.8 | Low | 109 Ų | 109 | 147.1 Ų | 147.1 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | | | trans | -91 | 69.2 | 172.7 | -172 | 0 | 0 | 0 | 0 | 107.4 | Q25 | Q25-V28 PolarHBondContact O-N 3.39Š|
| 29 | L | 53.9 | Low | 51 | Low | 137 Ų | 137 | 141.9 Ų | 141.9 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | | | trans | -92 | 139.9 | 164.2 | -72.4 | 178 | 0 | 0 | 0 | 108.5 | R27 V31 | R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 3.42Å; L29-V31 PolarHBondContact O-N 3.16Å |
| 30 | P | 47.8 | Very low | 50.8 | Low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | | | trans | -63.6 | 126.4 | -170.8 | 24.8 | -32.3 | 0 | 0 | 0 | 110.8 | G32 | P30-G32 PolarHBondContact O-N 3.32Š|
| 31 | V | 46.6 | Very low | 50.3 | Low | 159 Ų | 159 | 140 Ų | 140 | 96% | 0.964 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -63.1 | 101.3 | 165.5 | 171.8 | 0 | 0 | 0 | 0 | 106.9 | L29 | L29-V31 PolarHBondContact O-N 3.16Š|
| 32 | G | 40.5 | Very low | 50.1 | Low | 62 Ų | 62 | 144.4 Ų | 144.4 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | | | trans | 149.5 | 56.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P30 | P30-G32 PolarHBondContact O-N 3.32Š|
| 33 | Q | 49.2 | Very low | 49.6 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | | | trans | -140.3 | 103.1 | 153.4 | -72 | -163.1 | -18.2 | 0 | 0 | 109.7 | | |
| 34 | T | 41.4 | Very low | 49.3 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -78 | 153 | 174.8 | -36.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 35 | E | 43 | Very low | 48.9 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | | | trans | 93.2 | 135 | 155.1 | -55.8 | -160.7 | 176.4 | 0 | 0 | 120.3 | | |
| 36 | R | 44.7 | Very low | 48.5 | Very low | 215 Ų | 215 | 151.2 Ų | 151.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | 89.1 | 101.9 | 146.7 | -79.2 | 164.1 | -170.2 | -157.4 | -3.1 | 118.6 | | |
| 37 | T | 47 | Very low | 48.1 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | | 95.3 | 102.4 | 125.1 | -44.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 38 | A | 50.3 | Low | 48 | Very low | 95 Ų | 95 | 147.8 Ų | 147.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -172.1 | 88.4 | 133 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 39 | A | 44.7 | Very low | 47.9 | Very low | 95 Ų | 95 | 151 Ų | 151 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -74.9 | 130 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 40 | T | 55.4 | Low | 47.8 | Very low | 134 Ų | 134 | 153.6 Ų | 153.6 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | -166.9 | 105 | 145.7 | 9.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 41 | R | 47.9 | Very low | 47.8 | Very low | 238 Ų | 238 | 160.6 Ų | 160.6 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | | | trans | 8.1 | 118.8 | 141.8 | -65.7 | 175.4 | 171 | 179.9 | -2.5 | 117 | | |
| 42 | R | 51.7 | Low | 47.8 | Very low | 254 Ų | 254 | 163.7 Ų | 163.7 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | | | trans | -142.1 | 115.8 | 132.3 | -74.5 | -159.1 | 174.3 | -162.2 | -2 | 110.8 | | |
| 43 | R | 45.6 | Very low | 47.7 | Very low | 258 Ų | 258 | 164 Ų | 164 | 97% | 0.974 | 82% | 0.821 | S | S | * | * | | | trans | -76.7 | 143.2 | 164.3 | -72.3 | -178.4 | 174.4 | -167.3 | -1.6 | 108.9 | | |
| 44 | G | 48.8 | Very low | 47.4 | Very low | 71 Ų | 71 | 160.2 Ų | 160.2 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | | | trans | 165.6 | 96.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 45 | R | 49.3 | Very low | 47.8 | Very low | 263 Ų | 263 | 160.7 Ų | 160.7 | 99% | 0.992 | 82% | 0.819 | S | S | * | * | | | | 62.8 | 115.1 | 65.7 | -142.3 | -173.4 | -151.9 | -146.1 | 6.4 | 112.1 | | |
| 46 | G | 47.5 | Very low | 48.3 | Very low | 70 Ų | 70 | 157.5 Ų | 157.5 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | 117.4 | 94.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 47 | S | 49.1 | Very low | 48.6 | Very low | 109 Ų | 109 | 152.7 Ų | 152.7 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | | | | 49.7 | 100.5 | 84.5 | -164.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 48 | D | 53.9 | Low | 48.8 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 62% | 0.62 | 80% | 0.8 | S | S | * | * | | | | 175 | 113.7 | 118.6 | -88.3 | -1.7 | 0 | 0 | 0 | 111.3 | R50 | D48-R50 VanDerWaalsContact C-N 3.28Å; D48-R50 PolarHBondContact O-N 3.44Å |
| 49 | N | 48.5 | Very low | 48.9 | Very low | 176 Ų | 176 | 154.7 Ų | 154.7 | 94% | 0.941 | 81% | 0.809 | S | S | * | * | | | trans | -62.8 | 87.4 | 160.3 | -91.8 | -23.5 | 0 | 0 | 0 | 109.2 | | |
| 50 | R | 51.1 | Low | 49.3 | Very low | 192 Ų | 192 | 153.9 Ų | 153.9 | 73% | 0.725 | 81% | 0.81 | S | S | * | * | | | trans | -139.4 | 103.4 | 163.2 | -67.9 | -168.7 | -164.5 | -168.4 | 5.7 | 109.5 | D48 R52 | D48-R50 VanDerWaalsContact C-N 3.28Å; D48-R50 PolarHBondContact O-N 3.44Å; R50-R52 PolarHBondContact O-N 3.42Å |
| 51 | R | 48.2 | Very low | 49.2 | Very low | 263 Ų | 263 | 152.1 Ų | 152.1 | 99% | 0.992 | 80% | 0.803 | S | S | * | * | | | trans | 5.2 | 67.9 | 137.9 | -64.4 | -179.3 | 176.8 | -128.8 | 1.7 | 115.2 | | |
| 52 | R | 46.4 | Very low | 49.5 | Very low | 225 Ų | 225 | 143.6 Ų | 143.6 | 85% | 0.849 | 79% | 0.79 | S | S | * | * | | | trans | -108.9 | 107.3 | 166.6 | -85.6 | -174.1 | -168.4 | -139 | 1.8 | 106.3 | R50 C54 | R50-R52 PolarHBondContact O-N 3.42Å; R52-C54 PolarHBondContact O-N 3.42Å; R52-C54 VanDerWaalsContact O-N 3.09Å |
| 53 | G | 37 | Very low | 49.9 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | -48.1 | 118.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | T55 | G53-T55 PolarHBondContact O-N 3.47Š|
| 54 | C | 43.3 | Very low | 50.6 | Low | 120 Ų | 120 | 130.7 Ų | 130.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | -67.8 | 85.2 | 167.4 | -72.8 | 0 | 0 | 0 | 0 | 107.4 | R52 S56 | R52-C54 PolarHBondContact O-N 3.42Å; R52-C54 VanDerWaalsContact O-N 3.09Å; C54-S56 PolarHBondContact O-N 3.46Å |
| 55 | T | 50.4 | Low | 51.1 | Low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -75.6 | 57.8 | 160.2 | 58 | 0 | 0 | 0 | 0 | 108.4 | G53 | G53-T55 PolarHBondContact O-N 3.47Š|
| 56 | S | 54.4 | Low | 51.4 | Low | 80 Ų | 80 | 121.6 Ų | 121.6 | 56% | 0.559 | 74% | 0.741 | S | S | * | * | | | trans | -108.8 | 88 | 162.1 | 69.2 | 0 | 0 | 0 | 0 | 106.2 | C54 C58 | C54-S56 PolarHBondContact O-N 3.46Å; S56-C58 PolarHBondContact O-N 2.8Å |
| 57 | S | 51.1 | Low | 51.8 | Low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | | | trans | -60.1 | 89.3 | 162.2 | 32.7 | 0 | 0 | 0 | 0 | 107.5 | L59 | S57-L59 PolarHBondContact O-N 3.46Š|
| 58 | C | 51.1 | Low | 52.3 | Low | 82 Ų | 82 | 122.9 Ų | 122.9 | 55% | 0.554 | 72% | 0.721 | S | S | * | * | | | trans | -53.8 | 111 | 168.5 | -70.8 | 0 | 0 | 0 | 0 | 106.9 | S56 G60 S61 | S56-C58 PolarHBondContact O-N 2.8Å; C58-G60 VanDerWaalsContact C-N 3.3Å; C58-G60 PolarHBondContact O-N 2.99Å; C58-S61 PolarHBondContact O-N 2.72Å |
| 59 | L | 52.1 | Low | 52.5 | Low | 187 Ų | 187 | 124 Ų | 124 | 98% | 0.979 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 96.2 | 169.1 | -74 | 161.5 | 0 | 0 | 0 | 107.6 | S57 | S57-L59 PolarHBondContact O-N 3.46Š|
| 60 | G | 52.9 | Low | 52.7 | Low | 78 Ų | 78 | 119.1 Ų | 119.1 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.9 | -7.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C58 G62 | C58-G60 VanDerWaalsContact C-N 3.3Å; C58-G60 PolarHBondContact O-N 2.99Å; G60-G62 PolarHBondContact O-N 3.01Å |
| 61 | S | 52.9 | Low | 52.9 | Low | 96 Ų | 96 | 119.3 Ų | 119.3 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | | | trans | -71.3 | 84.7 | 165.8 | -70.1 | 0 | 0 | 0 | 0 | 108.7 | C58 | C58-S61 PolarHBondContact O-N 2.72Š|
| 62 | G | 54.2 | Low | 53.3 | Low | 60 Ų | 60 | 110.4 Ų | 110.4 | 62% | 0.619 | 66% | 0.66 | S | S | * | * | | | trans | -53.8 | 139.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | G60 S64 | G60-G62 PolarHBondContact O-N 3.01Å; G62-S64 PolarHBondContact O-N 3.14Å |
| 63 | I | 60.8 | Low | 53.7 | Low | 148 Ų | 148 | 102.3 Ų | 102.3 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | | | trans | -33 | 116 | 161.4 | 33 | 171 | 0 | 0 | 0 | 108.6 | T65 | I63-T65 HydrophobicContact CD1-CG2 4.41Å; I63-T65 PolarHBondContact O-N 3.05Å |
| 64 | S | 59.4 | Low | 54.5 | Low | 92 Ų | 92 | 103.9 Ų | 103.9 | 64% | 0.643 | 64% | 0.642 | S | S | * | * | | | trans | -69.4 | 93.6 | 174.6 | -173 | 0 | 0 | 0 | 0 | 106.7 | G62 G66 E70 | G62-S64 PolarHBondContact O-N 3.14Å; S64-G66 PolarHBondContact O-N 3.01Å; S64-E70 WeakPolarHBondContact CA-OE2 3.21Å; S64-E70 WeakPolarHBondContact CB-OE2 3.02Å; S64-E70 PolarHBondContact OG-OE2 3.37Å |
| 65 | T | 59.1 | Low | 55 | Low | 58 Ų | 58 | 103.3 Ų | 103.3 | 36% | 0.356 | 63% | 0.631 | S | S | . | * | | | trans | -66.2 | 126.6 | 168.2 | 69.9 | 0 | 0 | 0 | 0 | 104.4 | I63 F67 E70 | I63-T65 HydrophobicContact CD1-CG2 4.41Å; I63-T65 PolarHBondContact O-N 3.05Å; T65-F67 PolarHBondContact O-N 2.89Å; T65-E70 WeakPolarHBondContact CB-OE1 3.39Å; T65-E70 PolarHBondContact N-OE1 2.6Å; T65-E70 PolarHBondContact N-OE2 2.86Å; T65-E70 VanDerWaalsContact OG1-CD 3.29Å; T65-E70 PolarHBondContact OG1-OE1 2.92Å |
| 66 | G | 56.9 | Low | 55.1 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 88% | 0.876 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -60.4 | 19.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S64 | S64-G66 PolarHBondContact O-N 3.01Š|
| 67 | F | 54.5 | Low | 54.9 | Low | 132 Ų | 132 | 101.2 Ų | 101.2 | 58% | 0.579 | 62% | 0.616 | S | S | * | * | | | trans | -60.9 | 133.2 | 168.6 | -91.5 | -87.8 | 0 | 0 | 0 | 110.7 | T65 F69 E70 | T65-F67 PolarHBondContact O-N 2.89Å; F67-F69 HydrophobicContact CB-CD2 4.49Å; F67-F69 HydrophobicContact CD1-CD2 4.03Å; F67-F69 HydrophobicContact CD1-CE2 4.32Å; F67-F69 PolarHBondContact O-N 3.27Å; F67-E70 PolarHBondContact O-N 3.38Å |
| 68 | P | 59.7 | Low | 54.9 | Low | 75 Ų | 75 | 99.9 Ų | 99.9 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.4 | -14.8 | 179.7 | 24.9 | -34 | 0 | 0 | 0 | 112.4 | Y72 | P68-Y72 WeakPolarHBondContact O-CE2 3.34Š|
| 69 | F | 57.9 | Low | 55 | Low | 140 Ų | 140 | 98.4 Ų | 98.4 | 61% | 0.614 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -20.3 | -176.4 | -51.8 | -76.3 | 0 | 0 | 0 | 116.6 | F67 R71 Y72 | F67-F69 HydrophobicContact CB-CD2 4.49Å; F67-F69 HydrophobicContact CD1-CD2 4.03Å; F67-F69 HydrophobicContact CD1-CE2 4.32Å; F67-F69 PolarHBondContact O-N 3.27Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 2.61Å; F69-Y72 VanDerWaalsContact CA-CE2 3.44Å; F69-Y72 HydrophobicContact CB-CD2 4.06Å; F69-Y72 HydrophobicContact CB-CE2 4.16Å; F69-Y72 AromaticContact CD1-CD2 3.9Å; F69-Y72 HydrophobicContact CD1-CD2 3.9Å; F69-Y72 AromaticContact CD1-CE2 3.46Å; F69-Y72 HydrophobicContact CD1-CE2 3.46Å; F69-Y72 VanDerWaalsContact CD1-CE2 3.46Å; F69-Y72 HydrophobicContact CE1-CE2 4.16Å; F69-Y72 HydrophobicContact CG-CD2 4.42Å; F69-Y72 HydrophobicContact CG-CE2 4.11Å; F69-Y72 WeakPolarHBondContact O-CD2 3.37Å; F69-Y72 PolarHBondContact O-N 2.88Å |
| 70 | E | 54.1 | Low | 55 | Low | 72 Ų | 72 | 96.2 Ų | 96.2 | 34% | 0.336 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -20.6 | -174.7 | -77.8 | -178 | 174.5 | 0 | 0 | 114 | S64 T65 F67 | S64-E70 WeakPolarHBondContact CA-OE2 3.21Å; S64-E70 WeakPolarHBondContact CB-OE2 3.02Å; S64-E70 PolarHBondContact OG-OE2 3.37Å; T65-E70 WeakPolarHBondContact CB-OE1 3.39Å; T65-E70 PolarHBondContact N-OE1 2.6Å; T65-E70 PolarHBondContact N-OE2 2.86Å; T65-E70 VanDerWaalsContact OG1-CD 3.29Å; T65-E70 PolarHBondContact OG1-OE1 2.92Å; F67-E70 PolarHBondContact O-N 3.38Å |
| 71 | R | 54.6 | Low | 55.1 | Low | 196 Ų | 196 | 101.9 Ų | 101.9 | 74% | 0.74 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -13.5 | 178.4 | -59.6 | -169.9 | -165.5 | -150.6 | 5.2 | 113.5 | F69 G73 V74 L75 | F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 2.61Å; R71-G73 PolarHBondContact O-N 2.82Å; R71-V74 PolarHBondContact O-N 2.81Å; R71-L75 PolarHBondContact O-N 3.06Å |
| 72 | Y | 56.2 | Low | 54.9 | Low | 76 Ų | 76 | 100.4 Ų | 100.4 | 30% | 0.298 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.4 | -31.4 | -175.7 | -63 | -57.2 | 0 | 0 | 0 | 113.4 | P68 F69 V74 L76 F93 | P68-Y72 WeakPolarHBondContact O-CE2 3.34Å; F69-Y72 VanDerWaalsContact CA-CE2 3.44Å; F69-Y72 HydrophobicContact CB-CD2 4.06Å; F69-Y72 HydrophobicContact CB-CE2 4.16Å; F69-Y72 AromaticContact CD1-CD2 3.9Å; F69-Y72 HydrophobicContact CD1-CD2 3.9Å; F69-Y72 AromaticContact CD1-CE2 3.46Å; F69-Y72 HydrophobicContact CD1-CE2 3.46Å; F69-Y72 VanDerWaalsContact CD1-CE2 3.46Å; F69-Y72 HydrophobicContact CE1-CE2 4.16Å; F69-Y72 HydrophobicContact CG-CD2 4.42Å; F69-Y72 HydrophobicContact CG-CE2 4.11Å; F69-Y72 WeakPolarHBondContact O-CD2 3.37Å; F69-Y72 PolarHBondContact O-N 2.88Å; Y72-V74 VanDerWaalsContact C-N 3.33Å; Y72-V74 PolarHBondContact O-N 2.89Å; Y72-L76 PolarHBondContact O-N 3.01Å; Y72-F93 HydrophobicContact CD1-CE1 4.19Å; Y72-F93 HydrophobicContact CE1-CE1 4.14Å |
| 73 | G | 54.4 | Low | 54.7 | Low | 55 Ų | 55 | 101.9 Ų | 101.9 | 57% | 0.567 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.9 | -26.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R71 A77 | R71-G73 PolarHBondContact O-N 2.82Å; G73-A77 WeakPolarHBondContact O-CB 3.4Å; G73-A77 PolarHBondContact O-N 3.37Å |
| 74 | V | 54.6 | Low | 54.1 | Low | 100 Ų | 100 | 99.8 Ų | 99.8 | 61% | 0.606 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -83.3 | -33 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | R71 Y72 T78 | R71-V74 PolarHBondContact O-N 2.81Å; Y72-V74 VanDerWaalsContact C-N 3.33Å; Y72-V74 PolarHBondContact O-N 2.89Å; V74-T78 PolarHBondContact O-N 3.31Å; V74-T78 PolarHBondContact O-OG1 3.21Å |
| 75 | L | 53.5 | Low | 53.6 | Low | 109 Ų | 109 | 101.4 Ų | 101.4 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.6 | -37.4 | 176.8 | -73.9 | 169.4 | 0 | 0 | 0 | 112.7 | R71 T78 A79 | R71-L75 PolarHBondContact O-N 3.06Å; L75-T78 PolarHBondContact O-OG1 2.8Å; L75-A79 PolarHBondContact O-N 3.23Å |
| 76 | L | 51.8 | Low | 53.1 | Low | 110 Ų | 110 | 101.7 Ų | 101.7 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70 | -34.9 | 175.1 | -102.8 | 85.7 | 0 | 0 | 0 | 112.9 | Y72 N80 | Y72-L76 PolarHBondContact O-N 3.01Å; L76-N80 PolarHBondContact O-ND2 3.4Å |
| 77 | A | 51.3 | Low | 53.1 | Low | 62 Ų | 62 | 105.1 Ų | 105.1 | 51% | 0.512 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -76.4 | -21.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G73 | G73-A77 WeakPolarHBondContact O-CB 3.4Å; G73-A77 PolarHBondContact O-N 3.37Å |
| 78 | T | 51.3 | Low | 53 | Low | 84 Ų | 84 | 108.9 Ų | 108.9 | 52% | 0.515 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -89.8 | -28.7 | 176.4 | 41.2 | 0 | 0 | 0 | 0 | 112.7 | V74 L75 N80 | V74-T78 PolarHBondContact O-N 3.31Å; V74-T78 PolarHBondContact O-OG1 3.21Å; L75-T78 PolarHBondContact O-OG1 2.8Å; T78-N80 VanDerWaalsContact C-N 3.31Å; T78-N80 PolarHBondContact O-N 2.82Å |
| 79 | A | 51.9 | Low | 52.7 | Low | 51 Ų | 51 | 108.4 Ų | 108.4 | 42% | 0.421 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.1 | -26.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L75 K81 | L75-A79 PolarHBondContact O-N 3.23Å; A79-K81 VanDerWaalsContact C-N 3.29Å; A79-K81 PolarHBondContact O-N 2.81Å |
| 80 | N | 53.1 | Low | 52.4 | Low | 141 Ų | 141 | 105 Ų | 105 | 75% | 0.754 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 2.9 | -176.5 | -65.3 | -14.3 | 0 | 0 | 0 | 114.3 | L76 T78 | L76-N80 PolarHBondContact O-ND2 3.4Å; T78-N80 VanDerWaalsContact C-N 3.31Å; T78-N80 PolarHBondContact O-N 2.82Å |
| 81 | K | 55.2 | Low | 52.4 | Low | 198 Ų | 198 | 111.5 Ų | 111.5 | 86% | 0.861 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | -8.7 | 179.3 | -71.8 | -174.6 | 178.4 | -177.5 | 0 | 114.6 | A79 | A79-K81 VanDerWaalsContact C-N 3.29Å; A79-K81 PolarHBondContact O-N 2.81Å |
| 82 | S | 47.7 | Very low | 52.4 | Low | 64 Ų | 64 | 104.3 Ų | 104.3 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -128.6 | 113.2 | 170.7 | 62 | 0 | 0 | 0 | 0 | 107.9 | T84 | S82-T84 PolarHBondContact O-N 3.14Š|
| 83 | G | 49.7 | Very low | 52.2 | Low | 92 Ų | 92 | 106 Ų | 106 | 95% | 0.948 | 61% | 0.61 | S | S | * | * | | | trans | -66.4 | 49 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 84 | T | 49.6 | Very low | 52.2 | Low | 104 Ų | 104 | 106.7 Ų | 106.7 | 64% | 0.638 | 61% | 0.61 | S | S | * | * | | | trans | -111.5 | 101.8 | 172.1 | 56.2 | 0 | 0 | 0 | 0 | 107.5 | S82 S86 | S82-T84 PolarHBondContact O-N 3.14Å; T84-S86 VanDerWaalsContact C-N 3.26Å; T84-S86 PolarHBondContact O-N 3.5Å |
| 85 | T | 48.3 | Very low | 52.3 | Low | 125 Ų | 125 | 106.7 Ų | 106.7 | 77% | 0.767 | 62% | 0.615 | S | S | * | * | | | trans | -54.1 | 85.2 | 171 | 40.7 | 0 | 0 | 0 | 0 | 110.5 | H87 | T85-H87 PolarHBondContact O-N 3.33Š|
| 86 | S | 49.2 | Very low | 52.6 | Low | 65 Ų | 65 | 109.2 Ų | 109.2 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | | | trans | -78.6 | 86.7 | 178.7 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | T84 R88 C89 | T84-S86 VanDerWaalsContact C-N 3.26Å; T84-S86 PolarHBondContact O-N 3.5Å; S86-R88 PolarHBondContact O-N 3.3Å; S86-C89 PolarHBondContact O-N 3.17Å |
| 87 | H | 55.5 | Low | 53 | Low | 157 Ų | 157 | 107.4 Ų | 107.4 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -9.6 | 165.2 | -78.4 | -86.4 | 0 | 0 | 0 | 113.2 | T85 C89 | T85-H87 PolarHBondContact O-N 3.33Å; H87-C89 VanDerWaalsContact C-N 3.3Å; H87-C89 PolarHBondContact O-N 3.48Å |
| 88 | R | 54 | Low | 53.5 | Low | 211 Ų | 211 | 107.2 Ų | 107.2 | 80% | 0.796 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71 | -21.2 | 178.1 | -66.5 | -172.4 | 173.1 | -158.6 | -1.8 | 113.9 | S86 | S86-R88 PolarHBondContact O-N 3.3Å |
| 89 | C | 51.9 | Low | 54.2 | Low | 65 Ų | 65 | 107.5 Ų | 107.5 | 44% | 0.439 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74 | -30.3 | -179.7 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | S86 H87 W91 A92 F93 | S86-C89 PolarHBondContact O-N 3.17Å; H87-C89 VanDerWaalsContact C-N 3.3Å; H87-C89 PolarHBondContact O-N 3.48Å; C89-W91 PolarHBondContact O-N 3.18Å; C89-A92 PolarHBondContact O-N 3.24Å; C89-F93 HydrophobicContact CB-CE2 4.41Å; C89-F93 WeakPolarHBondContact O-CD2 2.91Å; C89-F93 WeakPolarHBondContact O-CE2 3.4Å |
| 90 | A | 53.4 | Low | 54.9 | Low | 68 Ų | 68 | 111.3 Ų | 111.3 | 56% | 0.562 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.9 | -37.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F93 | A90-F93 PolarHBondContact O-N 3.48Å |
| 91 | W | 52.3 | Low | 55.7 | Low | 208 Ų | 208 | 110.5 Ų | 110.5 | 79% | 0.788 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.2 | -26.6 | 178.1 | -78.9 | -29.8 | 0 | 0 | 0 | 114.2 | C89 F93 A94 S95 | C89-W91 PolarHBondContact O-N 3.18Å; W91-F93 VanDerWaalsContact C-N 3.29Å; W91-F93 PolarHBondContact O-N 3.32Å; W91-A94 PolarHBondContact O-N 3.21Å; W91-S95 PolarHBondContact O-N 3.4Å; W91-S95 PolarHBondContact O-OG 3.33Å |
| 92 | A | 55.3 | Low | 56.3 | Low | 45 Ų | 45 | 106.3 Ų | 106.3 | 37% | 0.372 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.6 | -37.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | C89 A94 S95 F96 | C89-A92 PolarHBondContact O-N 3.24Å; A92-A94 PolarHBondContact O-N 3.32Å; A92-S95 PolarHBondContact O-N 3.15Å; A92-F96 VanDerWaalsContact O-CD2 3.3Å; A92-F96 WeakPolarHBondContact O-CD2 3.49Å; A92-F96 PolarHBondContact O-N 3.47Å; A92-F96 VanDerWaalsContact O-N 3.16Å |
| 93 | F | 52.2 | Low | 57.2 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 49% | 0.491 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.9 | -40.9 | 178.4 | -70.9 | -71.8 | 0 | 0 | 0 | 113 | Y72 C89 A90 W91 S95 S97 | Y72-F93 HydrophobicContact CD1-CE1 4.19Å; Y72-F93 HydrophobicContact CE1-CE1 4.14Å; C89-F93 HydrophobicContact CB-CE2 4.41Å; C89-F93 WeakPolarHBondContact O-CD2 2.91Å; C89-F93 WeakPolarHBondContact O-CE2 3.4Å; A90-F93 PolarHBondContact O-N 3.48Å; W91-F93 VanDerWaalsContact C-N 3.29Å; W91-F93 PolarHBondContact O-N 3.32Å; F93-S95 VanDerWaalsContact C-N 3.28Å; F93-S95 PolarHBondContact O-N 3.29Å; F93-S97 PolarHBondContact O-N 2.92Å; F93-S97 PolarHBondContact O-OG 2.69Å |
| 94 | A | 54.1 | Low | 57.9 | Low | 69 Ų | 69 | 108.4 Ų | 108.4 | 57% | 0.57 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.9 | -25.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | W91 A92 S97 | W91-A94 PolarHBondContact O-N 3.21Å; A92-A94 PolarHBondContact O-N 3.32Å; A94-S97 PolarHBondContact O-OG 3.19Å |
| 95 | S | 57.5 | Low | 58.5 | Low | 100 Ų | 100 | 109.9 Ų | 109.9 | 70% | 0.699 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -87.1 | -22.3 | -178.6 | -52.5 | 0 | 0 | 0 | 0 | 113.2 | W91 A92 F93 | W91-S95 PolarHBondContact O-N 3.4Å; W91-S95 PolarHBondContact O-OG 3.33Å; A92-S95 PolarHBondContact O-N 3.15Å; F93-S95 VanDerWaalsContact C-N 3.28Å; F93-S95 PolarHBondContact O-N 3.29Å |
| 96 | F | 59.1 | Low | 59.4 | Low | 163 Ų | 163 | 107.4 Ų | 107.4 | 72% | 0.715 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -96.8 | -15.8 | 179.4 | -84.9 | -74.9 | 0 | 0 | 0 | 114.1 | A92 G98 | A92-F96 VanDerWaalsContact O-CD2 3.3Å; A92-F96 WeakPolarHBondContact O-CD2 3.49Å; A92-F96 PolarHBondContact O-N 3.47Å; A92-F96 VanDerWaalsContact O-N 3.16Å; F96-G98 VanDerWaalsContact C-N 3.28Å; F96-G98 PolarHBondContact O-N 3.18Å |
| 97 | S | 59.9 | Low | 60.3 | Low | 72 Ų | 72 | 109.6 Ų | 109.6 | 50% | 0.503 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -72.2 | 91.3 | 161.3 | 54.2 | 0 | 0 | 0 | 0 | 107.4 | F93 A94 | F93-S97 PolarHBondContact O-N 2.92Å; F93-S97 PolarHBondContact O-OG 2.69Å; A94-S97 PolarHBondContact O-OG 3.19Å |
| 98 | G | 62.3 | Low | 61.2 | Low | 58 Ų | 58 | 109.5 Ų | 109.5 | 60% | 0.598 | 65% | 0.645 | S | S | * | * | | | trans | -48.2 | 154.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F96 T100 | F96-G98 VanDerWaalsContact C-N 3.28Å; F96-G98 PolarHBondContact O-N 3.18Å; G98-T100 PolarHBondContact O-N 3.46Å; G98-T100 VanDerWaalsContact O-N 3.14Å |
| 99 | S | 65.9 | Low | 62.4 | Low | 89 Ų | 89 | 106.1 Ų | 106.1 | 62% | 0.622 | 64% | 0.64 | S | S | * | * | | | trans | -46.1 | 125.7 | -175.5 | -177.6 | 0 | 0 | 0 | 0 | 111 | D101 | S99-D101 PolarHBondContact O-N 2.94Å; S99-D101 WeakPolarHBondContact OG-CB 3.38Å; S99-D101 PolarHBondContact OG-N 3.31Å; S99-D101 PolarHBondContact OG-OD2 3.26Å |
| 100 | T | 66.9 | Low | 63.8 | Low | 132 Ų | 132 | 110.5 Ų | 110.5 | 81% | 0.81 | 65% | 0.654 | S | S | * | * | | | trans | -79.8 | 8.3 | 170.2 | 54 | 0 | 0 | 0 | 0 | 111.5 | G98 P102 | G98-T100 PolarHBondContact O-N 3.46Å; G98-T100 VanDerWaalsContact O-N 3.14Å; T100-P102 WeakPolarHBondContact O-CD 3.29Å; T100-P102 VanDerWaalsContact O-N 3.16Å |
| 101 | D | 70.5 | Confident | 64.9 | Low | 124 Ų | 124 | 112.3 Ų | 112.3 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 120.8 | 173 | -69.6 | -35.9 | 0 | 0 | 0 | 108.1 | S99 C103 | S99-D101 PolarHBondContact O-N 2.94Å; S99-D101 WeakPolarHBondContact OG-CB 3.38Å; S99-D101 PolarHBondContact OG-N 3.31Å; S99-D101 PolarHBondContact OG-OD2 3.26Å; D101-C103 PolarHBondContact O-N 2.8Å |
| 102 | P | 67.5 | Low | 65.7 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 71% | 0.714 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 119.7 | 172.3 | 25.3 | -31.5 | 0 | 0 | 0 | 106.6 | T100 A104 | T100-P102 WeakPolarHBondContact O-CD 3.29Å; T100-P102 VanDerWaalsContact O-N 3.16Å; P102-A104 PolarHBondContact O-N 3.3Å |
| 103 | C | 65.6 | Low | 66.4 | Low | 88 Ų | 88 | 114.3 Ų | 114.3 | 60% | 0.595 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 131.6 | 173.8 | -150.8 | 0 | 0 | 0 | 0 | 107.3 | D101 I105 A106 | D101-C103 PolarHBondContact O-N 2.8Å; C103-I105 HydrophobicContact CB-CG1 3.89Å; C103-I105 CarbonylContact O-C 3.53Å; C103-I105 PolarHBondContact O-N 3.49Å; C103-I105 VanDerWaalsContact SG-CG1 3.57Å; C103-A106 PolarHBondContact O-N 3.1Å |
| 104 | A | 64.7 | Low | 67.2 | Low | 112 Ų | 112 | 114.6 Ų | 114.6 | 93% | 0.926 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -10.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P102 A106 | P102-A104 PolarHBondContact O-N 3.3Å; A104-A106 VanDerWaalsContact C-N 3.34Å |
| 105 | I | 63.4 | Low | 67.7 | Low | 134 Ų | 134 | 115.8 Ų | 115.8 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 26.3 | 170.3 | 58 | 162.9 | 0 | 0 | 0 | 113.4 | C103 V107 | C103-I105 HydrophobicContact CB-CG1 3.89Å; C103-I105 CarbonylContact O-C 3.53Å; C103-I105 PolarHBondContact O-N 3.49Å; C103-I105 VanDerWaalsContact SG-CG1 3.57Å; I105-V107 PolarHBondContact O-N 3.24Å |
| 106 | A | 66.6 | Low | 67.9 | Low | 74 Ų | 74 | 114.9 Ų | 114.9 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | | | trans | -64.5 | 82.4 | 166 | 0 | 0 | 0 | 0 | 0 | 107.8 | C103 A104 H108 | C103-A106 PolarHBondContact O-N 3.1Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A106-H108 PolarHBondContact O-N 3.37Å |
| 107 | V | 68.2 | Low | 68 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | | | trans | -56.7 | 107.8 | 173.4 | 178.1 | 0 | 0 | 0 | 0 | 105.4 | I105 M109 | I105-V107 PolarHBondContact O-N 3.24Å; V107-M109 HydrophobicContact CG1-CG 4.43Å; V107-M109 HydrophobicContact CG1-SD 3.88Å; V107-M109 PolarHBondContact O-N 3.22Å |
| 108 | H | 73.4 | Confident | 68.1 | Low | 156 Ų | 156 | 120.8 Ų | 120.8 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | | | trans | -62.6 | 91.6 | 168.7 | 179.8 | -85.5 | 0 | 0 | 0 | 106.5 | A106 E110 | A106-H108 PolarHBondContact O-N 3.37Å; H108-E110 VanDerWaalsContact C-N 3.29Å; H108-E110 PolarHBondContact O-N 3.23Å |
| 109 | M | 80.3 | Confident | 68.4 | Low | 139 Ų | 139 | 124.1 Ų | 124.1 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | trans | -68 | 97.1 | 169.2 | -68.5 | -61.8 | -61.2 | 0 | 0 | 105.9 | V107 | V107-M109 HydrophobicContact CG1-CG 4.43Å; V107-M109 HydrophobicContact CG1-SD 3.88Å; V107-M109 PolarHBondContact O-N 3.22Å |
| 110 | E | 79.8 | Confident | 68.3 | Low | 157 Ų | 157 | 127.6 Ų | 127.6 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 129 | 175.7 | -158.8 | -178.1 | -158.4 | 0 | 0 | 108 | H108 F112 | H108-E110 VanDerWaalsContact C-N 3.29Å; H108-E110 PolarHBondContact O-N 3.23Å; E110-F112 PolarHBondContact O-N 3.04Å |
| 111 | P | 77.6 | Confident | 68 | Low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -59 | 129.3 | 178.5 | 23.9 | -32.4 | 0 | 0 | 0 | 108.5 | S113 | P111-S113 PolarHBondContact O-N 2.9Š|
| 112 | F | 69.9 | Low | 67.9 | Low | 187 Ų | 187 | 131 Ų | 131 | 82% | 0.82 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 127.5 | 179.2 | -69.4 | -86.4 | 0 | 0 | 0 | 110.9 | E110 T114 | E110-F112 PolarHBondContact O-N 3.04Å; F112-T114 PolarHBondContact O-N 3.11Å |
| 113 | S | 69.6 | Low | 67.9 | Low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | -53.2 | 114.1 | 174.8 | -105.8 | 0 | 0 | 0 | 0 | 109.9 | P111 S115 | P111-S113 PolarHBondContact O-N 2.9Å; S113-S115 PolarHBondContact O-N 3.25Å |
| 114 | T | 67.6 | Low | 68 | Low | 119 Ų | 119 | 134.5 Ų | 134.5 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -72.8 | 21 | -178.2 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | F112 A116 | F112-T114 PolarHBondContact O-N 3.11Å; T114-A116 VanDerWaalsContact C-N 3.26Å; T114-A116 PolarHBondContact O-N 3.34Å |
| 115 | S | 65.5 | Low | 68.2 | Low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -75.8 | -10.1 | -176.2 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | S113 F117 | S113-S115 PolarHBondContact O-N 3.25Å; S115-F117 PolarHBondContact O-N 3.44Å |
| 116 | A | 61.1 | Low | 68.5 | Low | 81 Ų | 81 | 135.9 Ų | 135.9 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -78 | -9.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T114 K118 | T114-A116 VanDerWaalsContact C-N 3.26Å; T114-A116 PolarHBondContact O-N 3.34Å; A116-K118 VanDerWaalsContact C-N 3.35Å; A116-K118 PolarHBondContact O-N 3.46Å |
| 117 | F | 61.5 | Low | 68.6 | Low | 173 Ų | 173 | 140.1 Ų | 140.1 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -87.4 | 6.1 | -178.1 | -74.1 | -78 | 0 | 0 | 0 | 115 | S115 V119 | S115-F117 PolarHBondContact O-N 3.44Å; F117-V119 PolarHBondContact O-N 3.47Å |
| 118 | K | 63.4 | Low | 68.7 | Low | 187 Ų | 187 | 142.2 Ų | 142.2 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -86.1 | 8.4 | -179.6 | -85.6 | -173.4 | 172.5 | -177.7 | 0 | 115.6 | A116 | A116-K118 VanDerWaalsContact C-N 3.35Å; A116-K118 PolarHBondContact O-N 3.46Å |
| 119 | V | 67.3 | Low | 68.3 | Low | 127 Ų | 127 | 141.2 Ų | 141.2 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -114.6 | 22.9 | -175.2 | -168 | 0 | 0 | 0 | 0 | 112.9 | F117 | F117-V119 PolarHBondContact O-N 3.47Š|
| 120 | L | 63.8 | Low | 67.3 | Low | 162 Ų | 162 | 141.3 Ų | 141.3 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | trans | -132.2 | 19.7 | -179.4 | -69.3 | 176.7 | 0 | 0 | 0 | 115.3 | | |
| 121 | T | 60.7 | Low | 66.2 | Low | 196 Ų | 196 | 139.9 Ų | 139.9 | 100% | 1.202 | 79% | 0.791 | S | S | * | * | | | trans | -114.8 | 0 | 165.1 | 39.9 | 0 | 0 | 0 | 0 | 109.1 | | |