| 1 | M | 45.3 | Very low | 61.8 | Low | 244 Ų | 244 | 168.6 Ų | 168.6 | 100% | 1.202 | 81% | 0.806 | S | S | * | * | | | | 0 | 104.3 | 0 | -87.2 | 168.5 | -176.8 | 0 | 0 | 109.6 | R3 | M1-R3 PolarHBondContact O-N 2.87Š|
| 2 | A | 59.2 | Low | 62.4 | Low | 110 Ų | 110 | 169.3 Ų | 169.3 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -73.2 | 109 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | S4 | A2-S4 PolarHBondContact O-N 3.14Š|
| 3 | R | 59.2 | Low | 63 | Low | 237 Ų | 237 | 171.5 Ų | 171.5 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | | | trans | -57.1 | 125 | 175.6 | -85.4 | 168.8 | 135 | -172.2 | -4.3 | 109.3 | M1 R5 | M1-R3 PolarHBondContact O-N 2.87Å; R3-R5 PolarHBondContact O-N 3.33Å |
| 4 | S | 62.9 | Low | 63.4 | Low | 118 Ų | 118 | 174.6 Ų | 174.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -54.6 | 111 | 174 | -179 | 0 | 0 | 0 | 0 | 110.3 | A2 S6 | A2-S4 PolarHBondContact O-N 3.14Å; S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 VanDerWaalsContact O-N 3.09Å |
| 5 | R | 65.1 | Low | 64 | Low | 233 Ų | 233 | 167.9 Ų | 167.9 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -81.8 | 80.6 | 172.8 | -66 | 177.5 | 80.1 | 163.9 | 3.6 | 107.7 | R3 R7 | R3-R5 PolarHBondContact O-N 3.33Å; R5-R7 PolarHBondContact O-N 3.34Å |
| 6 | S | 69.3 | Low | 64.4 | Low | 67 Ų | 67 | 168.8 Ų | 168.8 | 47% | 0.469 | 80% | 0.803 | S | S | . | * | | | trans | -53 | 114.7 | 172.5 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | S4 S8 | S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 VanDerWaalsContact O-N 3.09Å; S6-S8 PolarHBondContact OG-N 3.17Å; S6-S8 PolarHBondContact OG-OG 2.93Å |
| 7 | R | 65.6 | Low | 64.6 | Low | 242 Ų | 242 | 163.9 Ų | 163.9 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | | | trans | -88.2 | 10.2 | 174.9 | -59.5 | 179 | 84.4 | 158.9 | 3.1 | 112.1 | R5 | R5-R7 PolarHBondContact O-N 3.34Š|
| 8 | S | 62.6 | Low | 65 | Low | 64 Ų | 64 | 161.5 Ų | 161.5 | 45% | 0.448 | 79% | 0.791 | S | S | . | * | S | Bend | trans | -68.8 | 129.9 | 176.4 | 65.7 | 0 | 0 | 0 | 0 | 109 | S6 R10 | S6-S8 PolarHBondContact OG-N 3.17Å; S6-S8 PolarHBondContact OG-OG 2.93Å; S8-R10 PolarHBondContact O-N 3Å |
| 9 | P | 64.7 | Low | 65.2 | Low | 106 Ų | 106 | 161.4 Ų | 161.4 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | | | trans | -68.4 | 86.3 | 167 | 0.6 | 14.7 | 0 | 0 | 0 | 106.1 | W11 | P9-W11 VanDerWaalsContact C-N 3.26Å; P9-W11 PolarHBondContact O-N 2.98Å |
| 10 | R | 66.4 | Low | 65.1 | Low | 190 Ų | 190 | 158.4 Ų | 158.4 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | -62.8 | 95.6 | 170.5 | -79.3 | -176.6 | 128.3 | 118.3 | -2.6 | 106.6 | S8 K12 | S8-R10 PolarHBondContact O-N 3Å; R10-K12 VanDerWaalsContact C-N 3.29Å; R10-K12 PolarHBondContact O-N 3.24Å |
| 11 | W | 60 | Low | 65.1 | Low | 244 Ų | 244 | 159.9 Ų | 159.9 | 92% | 0.924 | 78% | 0.781 | S | S | * | * | | | trans | 46.9 | 45.9 | 158.9 | -54.2 | 91.5 | 0 | 0 | 0 | 114.8 | P9 Q13 | P9-W11 VanDerWaalsContact C-N 3.26Å; P9-W11 PolarHBondContact O-N 2.98Å; W11-Q13 PolarHBondContact O-N 2.96Å |
| 12 | K | 68.6 | Low | 65.8 | Low | 177 Ų | 177 | 153.9 Ų | 153.9 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -63.9 | 120.8 | 167.7 | -89 | 170.9 | 171 | -178.9 | 0 | 107.5 | R10 R14 | R10-K12 VanDerWaalsContact C-N 3.29Å; R10-K12 PolarHBondContact O-N 3.24Å; K12-R14 PolarHBondContact O-N 2.88Å |
| 13 | Q | 70.1 | Confident | 65.9 | Low | 198 Ų | 198 | 156 Ų | 156 | 93% | 0.925 | 74% | 0.743 | S | S | * | * | | | trans | -56 | 113.8 | 172.3 | -70.1 | -160.5 | -22.1 | 0 | 0 | 107.9 | W11 | W11-Q13 PolarHBondContact O-N 2.96Š|
| 14 | R | 68.7 | Low | 66.1 | Low | 214 Ų | 214 | 152.2 Ų | 152.2 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | | | trans | -79.5 | 139.4 | 170.1 | -63.4 | 178.8 | -178.3 | -93.6 | 3.1 | 106.3 | K12 L16 | K12-R14 PolarHBondContact O-N 2.88Å; R14-L16 PolarHBondContact O-N 3.07Å |
| 15 | S | 72.1 | Confident | 65.8 | Low | 75 Ų | 75 | 153.5 Ų | 153.5 | 52% | 0.524 | 72% | 0.723 | S | S | . | * | | | trans | -55.9 | 133.6 | 171.5 | 51.8 | 0 | 0 | 0 | 0 | 109.1 | S17 | S15-S17 PolarHBondContact O-N 3.36Š|
| 16 | L | 70.6 | Confident | 65.6 | Low | 181 Ų | 181 | 146.9 Ų | 146.9 | 95% | 0.948 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -69.1 | -15.8 | 172.7 | -65.8 | 174.9 | 0 | 0 | 0 | 111.9 | R14 | R14-L16 PolarHBondContact O-N 3.07Š|
| 17 | S | 68.4 | Low | 65.1 | Low | 86 Ų | 86 | 150.7 Ų | 150.7 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -66.7 | 125.3 | 172.2 | -51.5 | 0 | 0 | 0 | 0 | 109.1 | S15 Q19 | S15-S17 PolarHBondContact O-N 3.36Å; S17-Q19 PolarHBondContact O-N 3.24Å |
| 18 | P | 71.3 | Confident | 64.8 | Low | 121 Ų | 121 | 146.5 Ų | 146.5 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 121.4 | 168.1 | -19.5 | 29.7 | 0 | 0 | 0 | 107.5 | S20 | P18-S20 PolarHBondContact O-N 3.09Å; P18-S20 VanDerWaalsContact O-N 3.13Å |
| 19 | Q | 69.1 | Low | 64.7 | Low | 159 Ų | 159 | 151.5 Ų | 151.5 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -54 | 125.5 | 168.7 | -131.1 | 121.5 | 0.1 | 0 | 0 | 106.1 | S17 R21 | S17-Q19 PolarHBondContact O-N 3.24Å; Q19-R21 VanDerWaalsContact C-N 3.29Å; Q19-R21 PolarHBondContact O-N 3.09Å |
| 20 | S | 63.2 | Low | 64.4 | Low | 102 Ų | 102 | 152.2 Ų | 152.2 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | | | trans | -57.8 | 98 | 177.8 | 55.4 | 0 | 0 | 0 | 0 | 107.8 | P18 | P18-S20 PolarHBondContact O-N 3.09Å; P18-S20 VanDerWaalsContact O-N 3.13Å |
| 21 | R | 64.8 | Low | 63.9 | Low | 190 Ų | 190 | 151.3 Ų | 151.3 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | | | trans | -73.2 | 129.8 | 172 | -70.2 | 179.6 | 171.5 | 179 | -5.5 | 105.1 | Q19 F23 | Q19-R21 VanDerWaalsContact C-N 3.29Å; Q19-R21 PolarHBondContact O-N 3.09Å; R21-F23 PolarHBondContact O-N 3.23Å |
| 22 | N | 60.1 | Low | 64 | Low | 118 Ų | 118 | 146.2 Ų | 146.2 | 63% | 0.631 | 69% | 0.694 | S | S | * | * | | | trans | -45.4 | 115.7 | 177.2 | -63.1 | -51 | 0 | 0 | 0 | 108.8 | E24 Y25 | N22-E24 PolarHBondContact O-N 3.26Å; N22-E24 VanDerWaalsContact O-N 3.13Å; N22-Y25 HydrophobicContact CB-CD2 3.92Å; N22-Y25 HydrophobicContact CB-CE2 4.15Å; N22-Y25 PolarHBondContact O-N 2.83Å |
| 23 | F | 61.5 | Low | 63.6 | Low | 154 Ų | 154 | 140.1 Ų | 140.1 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -60.6 | -23.8 | -173.1 | -70.1 | -83.9 | 0 | 0 | 0 | 112.3 | R21 Y25 H26 E27 | R21-F23 PolarHBondContact O-N 3.23Å; F23-Y25 PolarHBondContact O-N 3.03Å; F23-H26 WeakPolarHBondContact O-CB 3.36Å; F23-H26 PolarHBondContact O-N 3.15Å; F23-E27 PolarHBondContact O-N 2.99Å |
| 24 | E | 62.7 | Low | 63.2 | Low | 157 Ų | 157 | 138.7 Ų | 138.7 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -55 | -31.4 | 176.7 | -158.3 | 166.1 | -163.5 | 0 | 0 | 113.1 | N22 | N22-E24 PolarHBondContact O-N 3.26Å; N22-E24 VanDerWaalsContact O-N 3.13Å |
| 25 | Y | 57.5 | Low | 62.9 | Low | 145 Ų | 145 | 133.8 Ų | 133.8 | 57% | 0.569 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -97.1 | 0.9 | 176.3 | -55.4 | -74.2 | 0 | 0 | 0 | 114.3 | N22 F23 | N22-Y25 HydrophobicContact CB-CD2 3.92Å; N22-Y25 HydrophobicContact CB-CE2 4.15Å; N22-Y25 PolarHBondContact O-N 2.83Å; F23-Y25 PolarHBondContact O-N 3.03Å |
| 26 | H | 60.1 | Low | 62.6 | Low | 95 Ų | 95 | 135.1 Ų | 135.1 | 44% | 0.44 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -37.5 | 177.6 | -168.9 | -108 | 0 | 0 | 0 | 110.6 | F23 E28 R29 H30 | F23-H26 WeakPolarHBondContact O-CB 3.36Å; F23-H26 PolarHBondContact O-N 3.15Å; H26-E28 VanDerWaalsContact C-N 3.34Å; H26-E28 PolarHBondContact O-N 3.05Å; H26-R29 PolarHBondContact O-N 2.81Å; H26-H30 AromaticContact CD2-NE2 3.69Å; H26-H30 AromaticContact CE1-CD2 3.65Å; H26-H30 AromaticContact CE1-CE1 3.78Å; H26-H30 AromaticContact CE1-NE2 2.83Å; H26-H30 PolarHBondContact CE1-NE2 3.02Å; H26-H30 AromaticContact CG-NE2 3.72Å; H26-H30 AromaticContact ND1-CD2 3.55Å; H26-H30 AromaticContact ND1-NE2 3.16Å; H26-H30 PolarHBondContact ND1-NE2 3.14Å; H26-H30 VanDerWaalsContact ND1-NE2 3.16Å; H26-H30 AromaticContact NE2-CE1 3.91Å; H26-H30 AromaticContact NE2-NE2 3.14Å; H26-H30 PolarHBondContact NE2-NE2 3.25Å; H26-H30 VanDerWaalsContact NE2-NE2 3.14Å; H26-H30 PolarHBondContact O-CD2 3.16Å; H26-H30 PolarHBondContact O-NE2 3.47Å |
| 27 | E | 58.5 | Low | 62.4 | Low | 147 Ų | 147 | 130.4 Ų | 130.4 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -65.1 | -35 | -177.5 | -63.8 | -173.7 | 172.2 | 0 | 0 | 112.7 | F23 R29 H30 | F23-E27 PolarHBondContact O-N 2.99Å; E27-R29 PolarHBondContact O-N 2.89Å; E27-H30 PolarHBondContact O-N 2.83Å |
| 28 | E | 60 | Low | 62.2 | Low | 153 Ų | 153 | 132.3 Ų | 132.3 | 72% | 0.715 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -61 | -27.8 | 175.6 | -93.1 | -177.7 | 160.2 | 0 | 0 | 113.9 | H26 | H26-E28 VanDerWaalsContact C-N 3.34Å; H26-E28 PolarHBondContact O-N 3.05Å |
| 29 | R | 59.4 | Low | 61.8 | Low | 169 Ų | 169 | 130.5 Ų | 130.5 | 64% | 0.638 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -85.9 | -12.1 | -177.9 | -83.4 | -173.4 | -80.6 | 161 | -7.6 | 114.3 | H26 E27 | H26-R29 PolarHBondContact O-N 2.81Å; E27-R29 PolarHBondContact O-N 2.89Å |
| 30 | H | 58.6 | Low | 61.5 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 56% | 0.56 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -96.6 | -3.1 | 177.7 | -62 | -60.4 | 0 | 0 | 0 | 113.1 | H26 E27 H32 | H26-H30 AromaticContact CD2-NE2 3.69Å; H26-H30 AromaticContact CE1-CD2 3.65Å; H26-H30 AromaticContact CE1-CE1 3.78Å; H26-H30 AromaticContact CE1-NE2 2.83Å; H26-H30 PolarHBondContact CE1-NE2 3.02Å; H26-H30 AromaticContact CG-NE2 3.72Å; H26-H30 AromaticContact ND1-CD2 3.55Å; H26-H30 AromaticContact ND1-NE2 3.16Å; H26-H30 PolarHBondContact ND1-NE2 3.14Å; H26-H30 VanDerWaalsContact ND1-NE2 3.16Å; H26-H30 AromaticContact NE2-CE1 3.91Å; H26-H30 AromaticContact NE2-NE2 3.14Å; H26-H30 PolarHBondContact NE2-NE2 3.25Å; H26-H30 VanDerWaalsContact NE2-NE2 3.14Å; H26-H30 PolarHBondContact O-CD2 3.16Å; H26-H30 PolarHBondContact O-NE2 3.47Å; E27-H30 PolarHBondContact O-N 2.83Å; H30-H32 PolarHBondContact O-N 3.21Å |
| 31 | F | 57.6 | Low | 61.7 | Low | 171 Ų | 171 | 134.1 Ų | 134.1 | 75% | 0.75 | 61% | 0.612 | S | S | * | * | | | trans | -74.4 | 70.4 | 167.4 | -131.4 | -87.7 | 0 | 0 | 0 | 109.4 | G33 | F31-G33 PolarHBondContact O-N 3.22Š|
| 32 | H | 61.9 | Low | 61.9 | Low | 138 Ų | 138 | 129.2 Ų | 129.2 | 64% | 0.639 | 60% | 0.601 | S | S | * | * | | | trans | -71.1 | 84.7 | 164 | -160.6 | 70.7 | 0 | 0 | 0 | 106 | H30 H34 Y35 | H30-H32 PolarHBondContact O-N 3.21Å; H32-H34 PolarHBondContact O-N 2.92Å; H32-Y35 AromaticContact NE2-CD2 3.37Å; H32-Y35 WeakPolarHBondContact NE2-CD2 3.37Å; H32-Y35 AromaticContact NE2-CG 3.91Å |
| 33 | G | 59.8 | Low | 62.1 | Low | 48 Ų | 48 | 133.1 Ų | 133.1 | 50% | 0.495 | 62% | 0.615 | S | S | . | * | | | trans | -45.2 | 118.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | F31 Y35 | F31-G33 PolarHBondContact O-N 3.22Å; G33-Y35 PolarHBondContact O-N 3.42Å |
| 34 | H | 61.8 | Low | 62.4 | Low | 169 Ų | 169 | 134.6 Ų | 134.6 | 78% | 0.782 | 62% | 0.624 | S | S | * | * | | | trans | 6.1 | 83.4 | 171.2 | -54.9 | -74.7 | 0 | 0 | 0 | 114.1 | H32 D36 | H32-H34 PolarHBondContact O-N 2.92Å; H34-D36 PolarHBondContact O-N 3.5Å; H34-D36 VanDerWaalsContact O-N 3.15Å |
| 35 | Y | 62.2 | Low | 62.5 | Low | 110 Ų | 110 | 132.8 Ų | 132.8 | 43% | 0.431 | 61% | 0.61 | S | S | . | * | | | trans | -71.7 | 106.7 | 165.2 | -141.6 | -98.7 | 0 | 0 | 0 | 106.1 | H32 G33 P37 Y39 R40 | H32-Y35 AromaticContact NE2-CD2 3.37Å; H32-Y35 WeakPolarHBondContact NE2-CD2 3.37Å; H32-Y35 AromaticContact NE2-CG 3.91Å; G33-Y35 PolarHBondContact O-N 3.42Å; Y35-P37 WeakPolarHBondContact O-CD 3.02Å; Y35-Y39 HydrophobicContact CD1-CD1 4.11Å; Y35-Y39 AromaticContact CE1-CD1 3.26Å; Y35-Y39 HydrophobicContact CE1-CD1 3.26Å; Y35-Y39 AromaticContact CE1-CE1 3.55Å; Y35-Y39 HydrophobicContact CE1-CE1 3.55Å; Y35-Y39 HydrophobicContact CE1-CG 4.09Å; Y35-Y39 AromaticContact CZ-CD1 3.74Å; Y35-Y39 AromaticContact CZ-CE1 3.54Å; Y35-Y39 WeakPolarHBondContact OH-CE1 3.19Å; Y35-R40 HydrophobicContact CD1-CG 4.46Å; Y35-R40 HydrophobicContact CE1-CG 4.44Å |
| 36 | D | 66.3 | Low | 62.8 | Low | 104 Ų | 104 | 130.8 Ų | 130.8 | 56% | 0.556 | 62% | 0.615 | S | S | * | * | | | trans | -53.4 | 125.6 | 179.6 | -99.8 | -22.5 | 0 | 0 | 0 | 109.4 | H34 E38 Y39 | H34-D36 PolarHBondContact O-N 3.5Å; H34-D36 VanDerWaalsContact O-N 3.15Å; D36-E38 PolarHBondContact O-N 3Å; D36-Y39 WeakPolarHBondContact O-CB 3.5Å; D36-Y39 PolarHBondContact O-N 3.19Å |
| 37 | P | 65.4 | Low | 62.9 | Low | 81 Ų | 81 | 129.9 Ų | 129.9 | 53% | 0.526 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -54.6 | -35.9 | 174.3 | -23 | 32.2 | 0 | 0 | 0 | 111.8 | Y35 Y39 R40 H41 | Y35-P37 WeakPolarHBondContact O-CD 3.02Å; P37-Y39 PolarHBondContact O-N 2.76Å; P37-R40 PolarHBondContact O-N 2.82Å; P37-R40 VanDerWaalsContact O-N 3.09Å; P37-H41 PolarHBondContact O-CD2 3.34Å |
| 38 | E | 64.1 | Low | 63 | Low | 126 Ų | 126 | 129 Ų | 129 | 59% | 0.589 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.5 | -35.4 | 176.9 | -69.3 | 78.1 | -166.1 | 0 | 0 | 112.1 | D36 R40 H41 D42 | D36-E38 PolarHBondContact O-N 3Å; E38-R40 PolarHBondContact O-N 3.02Å; E38-H41 PolarHBondContact O-N 3.36Å; E38-D42 PolarHBondContact O-N 3.06Å |
| 39 | Y | 63.3 | Low | 63.1 | Low | 83 Ų | 83 | 130 Ų | 130 | 33% | 0.325 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.4 | -31 | 178.8 | -175.6 | -80.5 | 0 | 0 | 0 | 112.7 | Y35 D36 P37 R45 | Y35-Y39 HydrophobicContact CD1-CD1 4.11Å; Y35-Y39 AromaticContact CE1-CD1 3.26Å; Y35-Y39 HydrophobicContact CE1-CD1 3.26Å; Y35-Y39 AromaticContact CE1-CE1 3.55Å; Y35-Y39 HydrophobicContact CE1-CE1 3.55Å; Y35-Y39 HydrophobicContact CE1-CG 4.09Å; Y35-Y39 AromaticContact CZ-CD1 3.74Å; Y35-Y39 AromaticContact CZ-CE1 3.54Å; Y35-Y39 WeakPolarHBondContact OH-CE1 3.19Å; D36-Y39 WeakPolarHBondContact O-CB 3.5Å; D36-Y39 PolarHBondContact O-N 3.19Å; P37-Y39 PolarHBondContact O-N 2.76Å; Y39-R45 PolarHBondContact OH-NH1 3.13Å |
| 40 | R | 62.7 | Low | 63.2 | Low | 189 Ų | 189 | 128.9 Ų | 128.9 | 71% | 0.713 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.2 | -22 | 176.9 | -76.7 | -171 | 175.7 | -172.4 | 1.1 | 113.3 | Y35 P37 E38 | Y35-R40 HydrophobicContact CD1-CG 4.46Å; Y35-R40 HydrophobicContact CE1-CG 4.44Å; P37-R40 PolarHBondContact O-N 2.82Å; P37-R40 VanDerWaalsContact O-N 3.09Å; E38-R40 PolarHBondContact O-N 3.02Å |
| 41 | H | 67 | Low | 63 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 69% | 0.69 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -90.9 | -9.7 | -175.3 | -69.6 | -61.6 | 0 | 0 | 0 | 113.6 | P37 E38 Q43 | P37-H41 PolarHBondContact O-CD2 3.34Å; E38-H41 PolarHBondContact O-N 3.36Å; H41-Q43 PolarHBondContact O-N 2.82Å |
| 42 | D | 69.1 | Low | 62.9 | Low | 87 Ų | 87 | 127.8 Ų | 127.8 | 47% | 0.465 | 61% | 0.611 | S | S | . | * | | | trans | -67.5 | 89.9 | 171.8 | -99.1 | -19.1 | 0 | 0 | 0 | 111.6 | E38 Q44 R45 | E38-D42 PolarHBondContact O-N 3.06Å; D42-Q44 PolarHBondContact O-N 3.05Å; D42-Q44 VanDerWaalsContact O-N 3.17Å; D42-R45 HydrophobicContact CB-CB 4.19Å; D42-R45 PolarHBondContact O-N 3.49Å |
| 43 | Q | 65.4 | Low | 62.7 | Low | 199 Ų | 199 | 128 Ų | 128 | 93% | 0.93 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -16.6 | 174 | -72.8 | 178 | -19 | 0 | 0 | 113.4 | H41 | H41-Q43 PolarHBondContact O-N 2.82Š|
| 44 | Q | 67.2 | Low | 62.7 | Low | 186 Ų | 186 | 134.7 Ų | 134.7 | 87% | 0.869 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -5.9 | -179.7 | -68.1 | -172.6 | 57.6 | 0 | 0 | 113.7 | D42 P46 | D42-Q44 PolarHBondContact O-N 3.05Å; D42-Q44 VanDerWaalsContact O-N 3.17Å; Q44-P46 WeakPolarHBondContact O-CD 3.37Å |
| 45 | R | 64.8 | Low | 62.7 | Low | 118 Ų | 118 | 134.8 Ų | 134.8 | 45% | 0.445 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -79.9 | 121.9 | -174.8 | -135.1 | 158.2 | -178 | -99 | 7.6 | 110.1 | Y39 D42 F47 | Y39-R45 PolarHBondContact OH-NH1 3.13Å; D42-R45 HydrophobicContact CB-CB 4.19Å; D42-R45 PolarHBondContact O-N 3.49Å; R45-F47 PolarHBondContact O-N 2.74Å |
| 46 | P | 63.6 | Low | 62.5 | Low | 104 Ų | 104 | 137.6 Ų | 137.6 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | | | trans | -66.9 | 106.3 | 173.8 | 26.1 | -31.2 | 0 | 0 | 0 | 108.3 | Q44 T48 | Q44-P46 WeakPolarHBondContact O-CD 3.37Å; P46-T48 PolarHBondContact O-N 3.2Å |
| 47 | F | 62.9 | Low | 62 | Low | 75 Ų | 75 | 135.9 Ų | 135.9 | 33% | 0.329 | 66% | 0.658 | S | S | . | * | | | trans | -68.4 | 100.1 | 168.4 | -76.2 | -76.5 | 0 | 0 | 0 | 107.6 | R45 W49 R50 | R45-F47 PolarHBondContact O-N 2.74Å; F47-W49 AromaticContact CD1-CE2 3.95Å; F47-W49 HydrophobicContact CD1-CZ2 4.29Å; F47-W49 AromaticContact CD1-NE1 3.22Å; F47-W49 AromaticContact CG-NE1 3.86Å; F47-W49 PolarHBondContact O-N 2.99Å; F47-R50 HydrophobicContact CB-CB 4.15Å; F47-R50 HydrophobicContact CB-CG 4.14Å; F47-R50 PolarHBondContact O-N 3.18Å |
| 48 | T | 60.3 | Low | 61.5 | Low | 129 Ų | 129 | 140.4 Ų | 140.4 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -20.1 | -178.9 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | P46 | P46-T48 PolarHBondContact O-N 3.2Š|
| 49 | W | 62.3 | Low | 61.1 | Low | 173 Ų | 173 | 142 Ų | 142 | 66% | 0.655 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -11.6 | 177.2 | 64.2 | -95.1 | 0 | 0 | 0 | 114.8 | F47 | F47-W49 AromaticContact CD1-CE2 3.95Å; F47-W49 HydrophobicContact CD1-CZ2 4.29Å; F47-W49 AromaticContact CD1-NE1 3.22Å; F47-W49 AromaticContact CG-NE1 3.86Å; F47-W49 PolarHBondContact O-N 2.99Å |
| 50 | R | 60.3 | Low | 60.3 | Low | 146 Ų | 146 | 149.9 Ų | 149.9 | 55% | 0.551 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -95.9 | 3.6 | 175.7 | -73.6 | -169.9 | 179.4 | 173.8 | -0.9 | 113.5 | F47 D52 | F47-R50 HydrophobicContact CB-CB 4.15Å; F47-R50 HydrophobicContact CB-CG 4.14Å; F47-R50 PolarHBondContact O-N 3.18Å; R50-D52 VanDerWaalsContact C-N 3.27Å; R50-D52 PolarHBondContact O-N 3.13Å |
| 51 | M | 55.3 | Low | 60.2 | Low | 148 Ų | 148 | 148 Ų | 148 | 73% | 0.729 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 5.4 | -176.2 | -83 | -134.3 | 74.9 | 0 | 0 | 115.1 | | |
| 52 | D | 55.6 | Low | 59.9 | Low | 121 Ų | 121 | 147.9 Ų | 147.9 | 65% | 0.647 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 2.6 | -177.6 | -107.4 | -66.9 | 0 | 0 | 0 | 114.7 | R50 E54 | R50-D52 VanDerWaalsContact C-N 3.27Å; R50-D52 PolarHBondContact O-N 3.13Å; D52-E54 VanDerWaalsContact C-N 3.26Å; D52-E54 PolarHBondContact O-N 3.23Å |
| 53 | D | 57.3 | Low | 59.3 | Low | 142 Ų | 142 | 151.3 Ų | 151.3 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -9.1 | -179.5 | -73.8 | -47.9 | 0 | 0 | 0 | 113.7 | | |
| 54 | E | 60.1 | Low | 59 | Low | 189 Ų | 189 | 148.5 Ų | 148.5 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -2.4 | -179 | -159.2 | 167.2 | 167.9 | 0 | 0 | 113.8 | D52 | D52-E54 VanDerWaalsContact C-N 3.26Å; D52-E54 PolarHBondContact O-N 3.23Å |
| 55 | K | 60.8 | Low | 58.5 | Low | 171 Ų | 171 | 146.1 Ų | 146.1 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -101.4 | 10.6 | -177.4 | -144.3 | -164.4 | 178.4 | -166 | 0 | 114.9 | | |
| 56 | H | 58.2 | Low | 58.1 | Low | 169 Ų | 169 | 148 Ų | 148 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | | | trans | -106.6 | 72 | 171.1 | -66.9 | -2.4 | 0 | 0 | 0 | 109 | Q58 | H56-Q58 PolarHBondContact O-N 3.3Å; H56-Q58 VanDerWaalsContact O-N 3.15Å |
| 57 | G | 55.3 | Low | 57.7 | Low | 69 Ų | 69 | 151.1 Ų | 151.1 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | trans | -48.7 | 120 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | N59 | G57-N59 VanDerWaalsContact C-N 3.27Å; G57-N59 PolarHBondContact O-N 3.04Å |
| 58 | Q | 56.1 | Low | 57.3 | Low | 175 Ų | 175 | 157 Ų | 157 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -59.1 | 96.6 | 162.1 | -66.7 | -164.7 | -38 | 0 | 0 | 107.4 | H56 K60 | H56-Q58 PolarHBondContact O-N 3.3Å; H56-Q58 VanDerWaalsContact O-N 3.15Å; Q58-K60 PolarHBondContact O-N 3.09Å; Q58-K60 VanDerWaalsContact O-N 3.14Å |
| 59 | N | 55.8 | Low | 57 | Low | 159 Ų | 159 | 159.3 Ų | 159.3 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | trans | -68.4 | 106.3 | 163.9 | -177.6 | -108.7 | 0 | 0 | 0 | 107 | G57 | G57-N59 VanDerWaalsContact C-N 3.27Å; G57-N59 PolarHBondContact O-N 3.04Å |
| 60 | K | 47 | Very low | 56.5 | Low | 250 Ų | 250 | 158.1 Ų | 158.1 | 100% | 1.087 | 78% | 0.778 | S | S | * | * | | | trans | -100.1 | 0 | 159.4 | -80.5 | -173 | 175.2 | -176.8 | 0 | 108.7 | Q58 | Q58-K60 PolarHBondContact O-N 3.09Å; Q58-K60 VanDerWaalsContact O-N 3.14Å |