| 1 | M | 64.6 | Low | 70.8 | Confident | 242 Ų | 242 | 173.5 Ų | 173.5 | 100% | 1.192 | 87% | 0.867 | S | S | * | * | | | | 0 | 131.7 | 0 | -77 | 177 | 65.1 | 0 | 0 | 108.8 | | |
| 2 | A | 75.7 | Confident | 70.3 | Confident | 91 Ų | 91 | 169.3 Ų | 169.3 | 75% | 0.752 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 146.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K4 | A2-K4 PolarHBondContact O-N 2.91Š|
| 3 | P | 71.2 | Confident | 69.7 | Low | 126 Ų | 126 | 165.6 Ų | 165.6 | 82% | 0.818 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 123.6 | 179.4 | 29.2 | -30.6 | 0 | 0 | 0 | 109.8 | K5 | P3-K5 PolarHBondContact O-N 2.86Š|
| 4 | K | 76 | Confident | 69 | Low | 201 Ų | 201 | 164.7 Ų | 164.7 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126.2 | 176.1 | -68 | 175.9 | 177.8 | 175.1 | 0 | 109.1 | A2 | A2-K4 PolarHBondContact O-N 2.91Š|
| 5 | K | 73.4 | Confident | 68.6 | Low | 206 Ų | 206 | 163.6 Ų | 163.6 | 90% | 0.896 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -60 | 136.5 | 174.3 | -76.3 | -153.6 | 175.1 | -169.5 | 0 | 110 | P3 | P3-K5 PolarHBondContact O-N 2.86Š|
| 6 | R | 75 | Confident | 68.2 | Low | 229 Ų | 229 | 158.9 Ų | 158.9 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70 | 141.6 | 173.8 | -67 | -179 | 177 | 106.1 | -1 | 109.2 | E8 | R6-E8 PolarHBondContact O-N 3.01Š|
| 7 | P | 70.4 | Confident | 68 | Low | 119 Ų | 119 | 159.1 Ų | 159.1 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 123.4 | 168.1 | 27 | -29.8 | 0 | 0 | 0 | 108 | T9 | P7-T9 PolarHBondContact O-N 3.09Š|
| 8 | E | 69.4 | Low | 67.9 | Low | 183 Ų | 183 | 162 Ų | 162 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 117.3 | 171.9 | -69.1 | 173.3 | -173.1 | 0 | 0 | 107.3 | R6 Q10 | R6-E8 PolarHBondContact O-N 3.01Å; E8-Q10 PolarHBondContact O-N 2.82Å |
| 9 | T | 66.6 | Low | 67.7 | Low | 129 Ų | 129 | 160.1 Ų | 160.1 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | | | trans | -54.2 | 110.8 | 176.1 | -49.2 | 0 | 0 | 0 | 0 | 107.6 | P7 K11 | P7-T9 PolarHBondContact O-N 3.09Å; T9-K11 PolarHBondContact O-N 3.45Å |
| 10 | Q | 67.7 | Low | 67.6 | Low | 184 Ų | 184 | 163.5 Ų | 163.5 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -53.8 | 106.9 | 171.9 | -75.9 | 179.6 | -14.6 | 0 | 0 | 107 | E8 T12 | E8-Q10 PolarHBondContact O-N 2.82Å; Q10-T12 PolarHBondContact O-N 3.18Å |
| 11 | K | 68.9 | Low | 67.5 | Low | 198 Ų | 198 | 160.8 Ų | 160.8 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | trans | -68 | 106.6 | 171 | -67.3 | -157.4 | 179.3 | -172.7 | 0 | 105.5 | T9 S13 | T9-K11 PolarHBondContact O-N 3.45Å; K11-S13 PolarHBondContact O-N 3.42Å |
| 12 | T | 64.7 | Low | 67.7 | Low | 124 Ų | 124 | 158.5 Ų | 158.5 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | | | trans | -53.3 | 111.8 | 171.2 | 36.5 | 0 | 0 | 0 | 0 | 107.5 | Q10 E14 | Q10-T12 PolarHBondContact O-N 3.18Å; T12-E14 PolarHBondContact O-N 3.34Å |
| 13 | S | 62.3 | Low | 67.2 | Low | 121 Ų | 121 | 163.9 Ų | 163.9 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -76.3 | 51.7 | 171.3 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | K11 I15 | K11-S13 PolarHBondContact O-N 3.42Å; S13-I15 PolarHBondContact O-N 3.47Å |
| 14 | E | 60.8 | Low | 66.9 | Low | 153 Ų | 153 | 163.3 Ų | 163.3 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | | | trans | -95.4 | 56.5 | 166.6 | -157.8 | 178.6 | -175.7 | 0 | 0 | 107.9 | T12 V16 | T12-E14 PolarHBondContact O-N 3.34Å; E14-V16 HydrophobicContact CG-CG2 3.93Å; E14-V16 PolarHBondContact O-N 3.07Å |
| 15 | I | 61.9 | Low | 66.4 | Low | 148 Ų | 148 | 160.7 Ų | 160.7 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -71 | 88 | 153.6 | -56.1 | 176 | 0 | 0 | 0 | 103.4 | S13 L17 | S13-I15 PolarHBondContact O-N 3.47Å; I15-L17 VanDerWaalsContact C-N 3.35Å; I15-L17 PolarHBondContact O-N 3Å |
| 16 | V | 62.5 | Low | 66 | Low | 89 Ų | 89 | 153.7 Ų | 153.7 | 54% | 0.539 | 76% | 0.757 | S | S | . | * | | | trans | -47.4 | 107.8 | 167.9 | 177.8 | 0 | 0 | 0 | 0 | 105.7 | E14 R18 | E14-V16 HydrophobicContact CG-CG2 3.93Å; E14-V16 PolarHBondContact O-N 3.07Å; V16-R18 HydrophobicContact CB-CG 4.46Å; V16-R18 HydrophobicContact CG1-CG 3.75Å; V16-R18 PolarHBondContact O-N 2.91Å |
| 17 | L | 65.4 | Low | 65.4 | Low | 162 Ų | 162 | 147.9 Ų | 147.9 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -66.5 | 71.6 | 170.7 | -71.8 | 168.7 | 0 | 0 | 0 | 106.6 | I15 P19 | I15-L17 VanDerWaalsContact C-N 3.35Å; I15-L17 PolarHBondContact O-N 3Å; L17-P19 WeakPolarHBondContact O-CD 3.21Å; L17-P19 VanDerWaalsContact O-N 3.12Å |
| 18 | R | 65.1 | Low | 64.9 | Low | 211 Ų | 211 | 148.7 Ų | 148.7 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | | | trans | -58.7 | 120.2 | 168.4 | -70.3 | -155.2 | -177.4 | -174.7 | 3.4 | 104.9 | V16 R20 | V16-R18 HydrophobicContact CB-CG 4.46Å; V16-R18 HydrophobicContact CG1-CG 3.75Å; V16-R18 PolarHBondContact O-N 2.91Å; R18-R20 PolarHBondContact O-N 2.89Å |
| 19 | P | 65.5 | Low | 64.6 | Low | 125 Ų | 125 | 144.7 Ų | 144.7 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | | | trans | -56.3 | 110.2 | 174.6 | -21.7 | 32.4 | 0 | 0 | 0 | 106.8 | L17 N21 | L17-P19 WeakPolarHBondContact O-CD 3.21Å; L17-P19 VanDerWaalsContact O-N 3.12Å; P19-N21 PolarHBondContact O-N 2.88Å |
| 20 | R | 65.4 | Low | 64.2 | Low | 229 Ų | 229 | 143.3 Ų | 143.3 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | | | trans | -63 | 105.5 | 176.8 | -162.8 | 172.9 | -177.6 | 161.7 | -0.3 | 104.8 | R18 K22 | R18-R20 PolarHBondContact O-N 2.89Å; R20-K22 PolarHBondContact O-N 2.84Å |
| 21 | N | 66 | Low | 64.1 | Low | 107 Ų | 107 | 139.3 Ų | 139.3 | 57% | 0.572 | 70% | 0.696 | S | S | * | * | | | trans | -46.3 | 109.4 | -174.1 | -179.4 | -13.4 | 0 | 0 | 0 | 109 | P19 R23 | P19-N21 PolarHBondContact O-N 2.88Å; N21-R23 PolarHBondContact ND2-NH1 2.83Å; N21-R23 PolarHBondContact O-N 3.43Å; N21-R23 WeakPolarHBondContact OD1-CG 3.43Å; N21-R23 PolarHBondContact OD1-N 2.69Å |
| 22 | K | 68.8 | Low | 63.9 | Low | 193 Ų | 193 | 133.4 Ų | 133.4 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | | | trans | -77.1 | 60.8 | 172.7 | -62.7 | -79 | -173.2 | 171.2 | 0 | 107.3 | R20 S24 | R20-K22 PolarHBondContact O-N 2.84Å; K22-S24 PolarHBondContact O-N 3.48Å |
| 23 | R | 63.7 | Low | 63.8 | Low | 204 Ų | 204 | 132.9 Ų | 132.9 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | | | trans | -64.5 | 96.1 | 166.1 | -102.8 | 173.6 | -178 | 136 | -1.2 | 105 | N21 R25 | N21-R23 PolarHBondContact ND2-NH1 2.83Å; N21-R23 PolarHBondContact O-N 3.43Å; N21-R23 WeakPolarHBondContact OD1-CG 3.43Å; N21-R23 PolarHBondContact OD1-N 2.69Å; R23-R25 PolarHBondContact O-N 3.38Å |
| 24 | S | 65.1 | Low | 63.8 | Low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | | | trans | -69.9 | 19.5 | 177.3 | 62.2 | 0 | 0 | 0 | 0 | 112.5 | K22 | K22-S24 PolarHBondContact O-N 3.48Š|
| 25 | R | 65.9 | Low | 63.9 | Low | 146 Ų | 146 | 129 Ų | 129 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | | | trans | -91.6 | 113.9 | 173.9 | -75.3 | -153.1 | 159.7 | 147.9 | 1.8 | 108.1 | R23 E29 E33 | R23-R25 PolarHBondContact O-N 3.38Å; R25-E29 HydrophobicContact CB-CB 4.26Å; R25-E29 VanDerWaalsContact CD-OE2 3.24Å; R25-E29 WeakPolarHBondContact CD-OE2 3.24Å; R25-E29 HydrophobicContact CG-CB 4.44Å; R25-E29 WeakPolarHBondContact CG-OE2 3.47Å; R25-E29 IonicContact NE-OE2 3.99Å; R25-E29 PolarHBondContact NE-OE2 2.99Å; R25-E29 VanDerWaalsContact NE-OE2 3.09Å; R25-E33 IonicContact NH1-OE2 3.87Å |
| 26 | S | 64.5 | Low | 64.1 | Low | 60 Ų | 60 | 130.1 Ų | 130.1 | 42% | 0.42 | 64% | 0.642 | S | S | . | * | | | trans | -47.9 | 141.8 | 165 | 170.6 | 0 | 0 | 0 | 0 | 109.3 | L28 E29 | S26-L28 PolarHBondContact O-N 2.87Å; S26-L28 PolarHBondContact OG-N 2.92Å; S26-E29 WeakPolarHBondContact O-CB 3.39Å; S26-E29 PolarHBondContact O-N 3.39Å |
| 27 | P | 63.4 | Low | 64 | Low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -49.8 | -27.9 | 174.4 | -26.5 | 34 | 0 | 0 | 0 | 113.3 | E29 L30 | P27-E29 VanDerWaalsContact C-N 3.34Å; P27-E29 PolarHBondContact O-N 3.39Å; P27-L30 PolarHBondContact O-N 3.47Å |
| 28 | L | 60.1 | Low | 63.7 | Low | 136 Ų | 136 | 130.8 Ų | 130.8 | 71% | 0.712 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.3 | -24.8 | 176.2 | -110.4 | 93.4 | 0 | 0 | 0 | 114.6 | S26 L30 E31 P32 | S26-L28 PolarHBondContact O-N 2.87Å; S26-L28 PolarHBondContact OG-N 2.92Å; L28-L30 PolarHBondContact O-N 3.18Å; L28-E31 WeakPolarHBondContact O-CB 3.43Å; L28-E31 PolarHBondContact O-N 3.29Å; L28-P32 WeakPolarHBondContact O-CD 3.16Å |
| 29 | E | 61.1 | Low | 63.5 | Low | 98 Ų | 98 | 124.7 Ų | 124.7 | 46% | 0.458 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -73.5 | -16.5 | 177.8 | -72.7 | -170.9 | -160.3 | 0 | 0 | 112.7 | R25 S26 P27 P32 | R25-E29 HydrophobicContact CB-CB 4.26Å; R25-E29 VanDerWaalsContact CD-OE2 3.24Å; R25-E29 WeakPolarHBondContact CD-OE2 3.24Å; R25-E29 HydrophobicContact CG-CB 4.44Å; R25-E29 WeakPolarHBondContact CG-OE2 3.47Å; R25-E29 IonicContact NE-OE2 3.99Å; R25-E29 PolarHBondContact NE-OE2 2.99Å; R25-E29 VanDerWaalsContact NE-OE2 3.09Å; S26-E29 WeakPolarHBondContact O-CB 3.39Å; S26-E29 PolarHBondContact O-N 3.39Å; P27-E29 VanDerWaalsContact C-N 3.34Å; P27-E29 PolarHBondContact O-N 3.39Å; E29-P32 WeakPolarHBondContact O-CD 3.49Å |
| 30 | L | 59.6 | Low | 63.4 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -81.6 | -24.2 | 175.7 | -81 | 156.7 | 0 | 0 | 0 | 113 | P27 L28 E33 A34 | P27-L30 PolarHBondContact O-N 3.47Å; L28-L30 PolarHBondContact O-N 3.18Å; L30-E33 PolarHBondContact O-N 2.85Å; L30-A34 PolarHBondContact O-N 3.37Å; L30-A34 VanDerWaalsContact O-N 3.07Å |
| 31 | E | 65.4 | Low | 62.7 | Low | 100 Ų | 100 | 121 Ų | 121 | 47% | 0.467 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -55.5 | -46.5 | -179.8 | -74.4 | -66.4 | 134.6 | 0 | 0 | 114.5 | L28 E33 K35 | L28-E31 WeakPolarHBondContact O-CB 3.43Å; L28-E31 PolarHBondContact O-N 3.29Å; E31-E33 VanDerWaalsContact C-N 3.32Å; E31-E33 PolarHBondContact O-N 2.94Å; E31-K35 WeakPolarHBondContact O-CB 3.25Å; E31-K35 VanDerWaalsContact O-CG 3.25Å; E31-K35 WeakPolarHBondContact O-CG 3.45Å; E31-K35 PolarHBondContact O-N 3.15Å; E31-K35 VanDerWaalsContact O-N 3.15Å; E31-K35 IonicContact OE2-NZ 3.09Å |
| 32 | P | 64.2 | Low | 62.2 | Low | 74 Ų | 74 | 121.7 Ų | 121.7 | 48% | 0.481 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -72.8 | -24.2 | -178.8 | 27.3 | -33.7 | 0 | 0 | 0 | 113.2 | L28 E29 K36 | L28-P32 WeakPolarHBondContact O-CD 3.16Å; E29-P32 WeakPolarHBondContact O-CD 3.49Å; P32-K36 WeakPolarHBondContact O-CG 3.45Å |
| 33 | E | 62.8 | Low | 61.6 | Low | 112 Ų | 112 | 120 Ų | 120 | 52% | 0.523 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -80.5 | -39.5 | 179.4 | -162.9 | 167.2 | -173.4 | 0 | 0 | 111.2 | R25 L30 E31 K36 | R25-E33 IonicContact NH1-OE2 3.87Å; L30-E33 PolarHBondContact O-N 2.85Å; E31-E33 VanDerWaalsContact C-N 3.32Å; E31-E33 PolarHBondContact O-N 2.94Å; E33-K36 PolarHBondContact O-N 3.27Å |
| 34 | A | 62 | Low | 61.2 | Low | 55 Ų | 55 | 118.6 Ų | 118.6 | 46% | 0.455 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -68.7 | -35.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L30 K36 L37 | L30-A34 PolarHBondContact O-N 3.37Å; L30-A34 VanDerWaalsContact O-N 3.07Å; A34-K36 VanDerWaalsContact C-N 3.27Å; A34-K36 PolarHBondContact O-N 3.38Å; A34-L37 PolarHBondContact O-N 2.97Å |
| 35 | K | 62.8 | Low | 60.6 | Low | 139 Ų | 139 | 119 Ų | 119 | 60% | 0.604 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -62.7 | -31 | 176.3 | -78.4 | 171.9 | -175.2 | 175.5 | 0 | 113.3 | E31 L37 C38 | E31-K35 WeakPolarHBondContact O-CB 3.25Å; E31-K35 VanDerWaalsContact O-CG 3.25Å; E31-K35 WeakPolarHBondContact O-CG 3.45Å; E31-K35 PolarHBondContact O-N 3.15Å; E31-K35 VanDerWaalsContact O-N 3.15Å; E31-K35 IonicContact OE2-NZ 3.09Å; K35-L37 VanDerWaalsContact C-N 3.29Å; K35-L37 PolarHBondContact O-N 3.17Å; K35-C38 PolarHBondContact O-N 3.44Å |
| 36 | K | 65.7 | Low | 59.9 | Low | 171 Ų | 171 | 118.8 Ų | 118.8 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69 | -27.3 | 177.4 | -70.6 | 175.9 | -178.6 | -176.3 | 0 | 112.8 | P32 E33 A34 | P32-K36 WeakPolarHBondContact O-CG 3.45Å; E33-K36 PolarHBondContact O-N 3.27Å; A34-K36 VanDerWaalsContact C-N 3.27Å; A34-K36 PolarHBondContact O-N 3.38Å |
| 37 | L | 60.3 | Low | 59 | Low | 150 Ų | 150 | 124.1 Ų | 124.1 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -79.7 | -20.8 | 178.1 | -64.6 | 175.2 | 0 | 0 | 0 | 112.9 | A34 K35 A39 | A34-L37 PolarHBondContact O-N 2.97Å; K35-L37 VanDerWaalsContact C-N 3.29Å; K35-L37 PolarHBondContact O-N 3.17Å; L37-A39 VanDerWaalsContact C-N 3.3Å; L37-A39 PolarHBondContact O-N 3.43Å |
| 38 | C | 60.8 | Low | 58.5 | Low | 115 Ų | 115 | 126.6 Ų | 126.6 | 78% | 0.777 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 1.9 | 177.4 | -77.8 | 0 | 0 | 0 | 0 | 114.6 | K35 K40 | K35-C38 PolarHBondContact O-N 3.44Å; C38-K40 PolarHBondContact O-N 3.41Å |
| 39 | A | 60.9 | Low | 58.4 | Low | 83 Ų | 83 | 128.2 Ų | 128.2 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -93.6 | 18 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L37 | L37-A39 VanDerWaalsContact C-N 3.3Å; L37-A39 PolarHBondContact O-N 3.43Å |
| 40 | K | 62.3 | Low | 58.2 | Low | 205 Ų | 205 | 128.3 Ų | 128.3 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | | | trans | -132.5 | 99.5 | 172.9 | -99 | -179 | 172.9 | -179.7 | 0 | 111.2 | C38 | C38-K40 PolarHBondContact O-N 3.41Š|
| 41 | G | 51.3 | Low | 58.1 | Low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 162.1 | 76.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 42 | S | 56.1 | Low | 57.8 | Low | 121 Ų | 121 | 129.1 Ų | 129.1 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | | | trans | 44.8 | 123.4 | 151.8 | 58.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 43 | D | 54.8 | Low | 57.6 | Low | 157 Ų | 157 | 129.1 Ų | 129.1 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | | | trans | -53.1 | 140.5 | 168.1 | -59.2 | -62.6 | 0 | 0 | 0 | 114.5 | | |
| 44 | H | 54.8 | Low | 57.4 | Low | 175 Ų | 175 | 129.6 Ų | 129.6 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | | | trans | 51.1 | 97.7 | 148.6 | -107.9 | -84.2 | 0 | 0 | 0 | 119.5 | | |
| 45 | T | 53.1 | Low | 57.5 | Low | 123 Ų | 123 | 134.7 Ų | 134.7 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | | | | -157 | 118.3 | 123.1 | 43.3 | 0 | 0 | 0 | 0 | 109.3 | M47 | T45-M47 PolarHBondContact O-N 3.39Š|
| 46 | D | 51.9 | Low | 57.5 | Low | 142 Ų | 142 | 134.5 Ų | 134.5 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | | | trans | 20.2 | 76.9 | 156.1 | -59.1 | -47.5 | 0 | 0 | 0 | 117.7 | | |
| 47 | M | 45.9 | Very low | 57.3 | Low | 171 Ų | 171 | 136.6 Ų | 136.6 | 84% | 0.842 | 71% | 0.708 | S | S | * | * | | | trans | -110.3 | 90.7 | 154.2 | -70.6 | -75.1 | 100.7 | 0 | 0 | 107.5 | T45 R49 | T45-M47 PolarHBondContact O-N 3.39Å; M47-R49 PolarHBondContact O-N 3.05Å |
| 48 | E | 53.2 | Low | 57.3 | Low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | | | trans | -36.7 | 114.9 | 159.9 | -102 | -86.8 | 140.1 | 0 | 0 | 108.9 | P50 | E48-P50 WeakPolarHBondContact O-CD 3.13Š|
| 49 | R | 56.2 | Low | 57.4 | Low | 170 Ų | 170 | 135.6 Ų | 135.6 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | | | trans | -52.8 | 109.5 | -173.3 | 179 | -178.8 | -75 | 176.5 | -4.6 | 109.4 | M47 Q51 E52 | M47-R49 PolarHBondContact O-N 3.05Å; R49-Q51 HydrophobicContact CG-CB 4.15Å; R49-Q51 PolarHBondContact O-N 2.92Å; R49-E52 PolarHBondContact O-N 3.06Å |
| 50 | P | 58 | Low | 57.8 | Low | 99 Ų | 99 | 137.1 Ų | 137.1 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -60.6 | -18.1 | -176.7 | -25.2 | 34.8 | 0 | 0 | 0 | 113.9 | E48 M54 | E48-P50 WeakPolarHBondContact O-CD 3.13Å; P50-M54 WeakPolarHBondContact O-CG 3.44Å |
| 51 | Q | 56.5 | Low | 57.8 | Low | 143 Ų | 143 | 131.8 Ų | 131.8 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.5 | -28.7 | 178.5 | -59.7 | -155.2 | -7.4 | 0 | 0 | 113.5 | R49 R55 | R49-Q51 HydrophobicContact CG-CB 4.15Å; R49-Q51 PolarHBondContact O-N 2.92Å; Q51-R55 WeakPolarHBondContact O-CG 3.19Å; Q51-R55 PolarHBondContact O-N 3.27Å; Q51-R55 VanDerWaalsContact O-N 3.09Å |
| 52 | E | 60.8 | Low | 58.1 | Low | 76 Ų | 76 | 134.6 Ų | 134.6 | 36% | 0.355 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -67.3 | -45.9 | -179.3 | -159.1 | 81.8 | -148 | 0 | 0 | 110.7 | R49 M54 R55 Q56 | R49-E52 PolarHBondContact O-N 3.06Å; E52-M54 VanDerWaalsContact C-N 3.35Å; E52-M54 PolarHBondContact O-N 3.16Å; E52-R55 PolarHBondContact O-N 3.43Å; E52-R55 VanDerWaalsContact O-N 3.16Å; E52-Q56 PolarHBondContact O-N 3.03Å |
| 53 | V | 59.2 | Low | 58.2 | Low | 73 Ų | 73 | 137.6 Ų | 137.6 | 44% | 0.442 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -63.5 | -38.9 | 178.6 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | R57 | V53-R57 PolarHBondContact O-N 3.09Å |
| 54 | M | 59 | Low | 58.3 | Low | 123 Ų | 123 | 135.7 Ų | 135.7 | 61% | 0.606 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66 | -37.9 | 175.1 | -73.6 | -87.6 | -75.9 | 0 | 0 | 112 | P50 E52 R57 L58 | P50-M54 WeakPolarHBondContact O-CG 3.44Å; E52-M54 VanDerWaalsContact C-N 3.35Å; E52-M54 PolarHBondContact O-N 3.16Å; M54-R57 PolarHBondContact O-N 3.41Å; M54-L58 PolarHBondContact O-N 3.42Å |
| 55 | R | 64.7 | Low | 58.4 | Low | 161 Ų | 161 | 137.3 Ų | 137.3 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.8 | -38.9 | 178.4 | -72.6 | 172.8 | 76.7 | -143.9 | 0.6 | 112 | Q51 E52 R57 L58 T59 | Q51-R55 WeakPolarHBondContact O-CG 3.19Å; Q51-R55 PolarHBondContact O-N 3.27Å; Q51-R55 VanDerWaalsContact O-N 3.09Å; E52-R55 PolarHBondContact O-N 3.43Å; E52-R55 VanDerWaalsContact O-N 3.16Å; R55-R57 VanDerWaalsContact C-N 3.34Å; R55-R57 PolarHBondContact O-N 2.85Å; R55-L58 PolarHBondContact O-N 3.37Å; R55-T59 PolarHBondContact O-N 3.48Å; R55-T59 PolarHBondContact O-OG1 3.46Å |
| 56 | Q | 61.2 | Low | 58.7 | Low | 136 Ų | 136 | 138.9 Ų | 138.9 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -64.6 | -38.2 | 176.3 | -69.7 | 177.9 | 14.8 | 0 | 0 | 112.1 | E52 L58 T59 | E52-Q56 PolarHBondContact O-N 3.03Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 3.46Å; Q56-T59 PolarHBondContact O-N 3.37Å |
| 57 | R | 61.5 | Low | 59 | Low | 214 Ų | 214 | 136.2 Ų | 136.2 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.6 | -23.3 | 178.5 | -75.7 | -178.6 | 161.8 | -163.8 | -4.8 | 115 | V53 M54 R55 | V53-R57 PolarHBondContact O-N 3.09Å; M54-R57 PolarHBondContact O-N 3.41Å; R55-R57 VanDerWaalsContact C-N 3.34Å; R55-R57 PolarHBondContact O-N 2.85Å |
| 58 | L | 60.6 | Low | 59.2 | Low | 137 Ų | 137 | 138.5 Ų | 138.5 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -96.4 | -4.5 | -177.8 | -69.5 | 168.9 | 0 | 0 | 0 | 113.5 | M54 R55 Q56 V60 | M54-L58 PolarHBondContact O-N 3.42Å; R55-L58 PolarHBondContact O-N 3.37Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 3.46Å; L58-V60 PolarHBondContact O-N 3.09Å; L58-V60 VanDerWaalsContact O-N 3.09Å |
| 59 | T | 63.6 | Low | 59.6 | Low | 108 Ų | 108 | 134.3 Ų | 134.3 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | | | trans | -85.3 | 86 | -178.3 | -52.5 | 0 | 0 | 0 | 0 | 109.2 | R55 Q56 | R55-T59 PolarHBondContact O-N 3.48Å; R55-T59 PolarHBondContact O-OG1 3.46Å; Q56-T59 PolarHBondContact O-N 3.37Å |
| 60 | V | 68.4 | Low | 59.6 | Low | 114 Ų | 114 | 134 Ų | 134 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | | | trans | -71.9 | 127.1 | 169.3 | -164.8 | 0 | 0 | 0 | 0 | 107.6 | L58 N62 | L58-V60 PolarHBondContact O-N 3.09Å; L58-V60 VanDerWaalsContact O-N 3.09Å; V60-N62 PolarHBondContact O-N 3.24Å |
| 61 | P | 62.7 | Low | 59.4 | Low | 93 Ų | 93 | 136.9 Ų | 136.9 | 60% | 0.604 | 69% | 0.686 | S | S | * | * | | | trans | -57.4 | 128 | -179.6 | 19.8 | -29.9 | 0 | 0 | 0 | 110.3 | E63 | P61-E63 PolarHBondContact O-N 2.83Š|
| 62 | N | 57.8 | Low | 59.4 | Low | 130 Ų | 130 | 133.7 Ų | 133.7 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 50.2 | -178.3 | -168.4 | -9.2 | 0 | 0 | 0 | 111.1 | V60 | V60-N62 PolarHBondContact O-N 3.24Š|
| 63 | E | 58.3 | Low | 59.1 | Low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | -10.7 | 176 | -64.3 | -161.9 | 166.2 | 0 | 0 | 112 | P61 | P61-E63 PolarHBondContact O-N 2.83Š|
| 64 | T | 57.4 | Low | 58.8 | Low | 117 Ų | 117 | 145.9 Ų | 145.9 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -102 | 3.1 | 177.3 | 21.9 | 0 | 0 | 0 | 0 | 114.2 | L66 | T64-L66 VanDerWaalsContact C-N 3.34Å; T64-L66 PolarHBondContact O-N 3.03Å |
| 65 | R | 55.9 | Low | 58.6 | Low | 208 Ų | 208 | 142 Ų | 142 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | | | trans | -80.2 | 85.2 | 171.8 | -74.2 | -171.8 | 175.5 | -168.1 | 0.1 | 109.5 | | |
| 66 | L | 60.8 | Low | 58 | Low | 157 Ų | 157 | 142.3 Ų | 142.3 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | | | trans | -54.2 | 128.4 | 162.1 | -68 | 175.7 | 0 | 0 | 0 | 107.9 | T64 F68 | T64-L66 VanDerWaalsContact C-N 3.34Å; T64-L66 PolarHBondContact O-N 3.03Å; L66-F68 PolarHBondContact O-N 3.29Å |
| 67 | P | 56.4 | Low | 57.5 | Low | 86 Ų | 86 | 145.1 Ų | 145.1 | 56% | 0.558 | 71% | 0.714 | S | S | * | * | | | trans | -58.5 | 127.2 | 179.1 | 23.7 | -31.7 | 0 | 0 | 0 | 108.2 | G69 E70 | P67-G69 PolarHBondContact O-N 2.87Å; P67-E70 PolarHBondContact O-N 3.17Å |
| 68 | F | 51.6 | Low | 57 | Low | 219 Ų | 219 | 141.9 Ų | 141.9 | 96% | 0.961 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 3.9 | -176.3 | -155.8 | -97.7 | 0 | 0 | 0 | 114.1 | L66 | L66-F68 PolarHBondContact O-N 3.29Š|
| 69 | G | 60.6 | Low | 56.6 | Low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -5.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | P67 | P67-G69 PolarHBondContact O-N 2.87Š|
| 70 | E | 56.6 | Low | 56 | Low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 68% | 0.684 | S | S | * | * | | | trans | -108 | 17.4 | -178.2 | -68.7 | -167.6 | 165.7 | 0 | 0 | 114.3 | P67 S72 | P67-E70 PolarHBondContact O-N 3.17Å; E70-S72 PolarHBondContact O-N 2.73Å |
| 71 | F | 53.5 | Low | 55.2 | Low | 158 Ų | 158 | 138 Ų | 138 | 69% | 0.693 | 68% | 0.683 | S | S | * | * | | | trans | -76.2 | 64.5 | 164.2 | -153.4 | -99.5 | 0 | 0 | 0 | 109.2 | T75 | F71-T75 WeakPolarHBondContact CD1-OG1 3.02Å; F71-T75 HydrophobicContact CE1-CG2 4.3Å; F71-T75 WeakPolarHBondContact CE1-OG1 3.36Å; F71-T75 HydrophobicContact CE2-CG2 3.98Å; F71-T75 HydrophobicContact CZ-CG2 3.86Å; F71-T75 WeakPolarHBondContact CZ-OG1 3.43Å |
| 72 | S | 57.2 | Low | 54.7 | Low | 77 Ų | 77 | 140.4 Ų | 140.4 | 54% | 0.538 | 69% | 0.686 | S | S | . | * | | | trans | -70 | 148.8 | -174.7 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | E70 K74 T75 | E70-S72 PolarHBondContact O-N 2.73Å; S72-K74 PolarHBondContact O-N 3.31Å; S72-T75 PolarHBondContact O-N 3.22Å; S72-T75 PolarHBondContact O-OG1 3.28Å |
| 73 | R | 54.1 | Low | 54.5 | Low | 225 Ų | 225 | 138.9 Ų | 138.9 | 85% | 0.849 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45 | -2.8 | -172.3 | -68.3 | 178.3 | -103 | -165 | -5.7 | 118.2 | | |
| 74 | K | 52.4 | Low | 54.1 | Low | 179 Ų | 179 | 135.4 Ų | 135.4 | 78% | 0.778 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.7 | -38.3 | 173.9 | -72.2 | -179.6 | 177 | -179.5 | 0 | 112.4 | S72 F76 R77 E78 | S72-K74 PolarHBondContact O-N 3.31Å; K74-F76 PolarHBondContact O-N 3.31Å; K74-R77 PolarHBondContact O-N 3.28Å; K74-E78 PolarHBondContact O-N 3.18Å |
| 75 | T | 55.2 | Low | 53.8 | Low | 43 Ų | 43 | 134.1 Ų | 134.1 | 26% | 0.264 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.3 | -25.6 | 176.3 | 48.1 | 0 | 0 | 0 | 0 | 113 | F71 S72 I79 | F71-T75 WeakPolarHBondContact CD1-OG1 3.02Å; F71-T75 HydrophobicContact CE1-CG2 4.3Å; F71-T75 WeakPolarHBondContact CE1-OG1 3.36Å; F71-T75 HydrophobicContact CE2-CG2 3.98Å; F71-T75 HydrophobicContact CZ-CG2 3.86Å; F71-T75 WeakPolarHBondContact CZ-OG1 3.43Å; S72-T75 PolarHBondContact O-N 3.22Å; S72-T75 PolarHBondContact O-OG1 3.28Å; T75-I79 WeakPolarHBondContact O-CG1 3.37Å; T75-I79 PolarHBondContact O-N 2.98Å |
| 76 | F | 51.4 | Low | 53.6 | Low | 167 Ų | 167 | 129.9 Ų | 129.9 | 73% | 0.732 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.4 | -29.7 | 177.7 | -152.4 | -88.4 | 0 | 0 | 0 | 113 | K74 G80 | K74-F76 PolarHBondContact O-N 3.31Å; F76-G80 PolarHBondContact O-N 2.81Å |
| 77 | R | 50.5 | Low | 53.2 | Low | 195 Ų | 195 | 129.4 Ų | 129.4 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.2 | -38 | 174.2 | -80.9 | -170 | -167.1 | -145.7 | 1.6 | 111.9 | K74 G80 E81 | K74-R77 PolarHBondContact O-N 3.28Å; R77-G80 PolarHBondContact O-N 2.67Å; R77-E81 PolarHBondContact O-N 3.33Å |
| 78 | E | 52 | Low | 53.1 | Low | 145 Ų | 145 | 131 Ų | 131 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.1 | -43.6 | 179.4 | -162.4 | 170.7 | -173 | 0 | 0 | 111.4 | K74 | K74-E78 PolarHBondContact O-N 3.18Å |
| 79 | I | 52.8 | Low | 53.1 | Low | 98 Ų | 98 | 124 Ų | 124 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -73.7 | -27.7 | 175.9 | -59.5 | 167.4 | 0 | 0 | 0 | 112 | T75 N83 | T75-I79 WeakPolarHBondContact O-CG1 3.37Å; T75-I79 PolarHBondContact O-N 2.98Å; I79-N83 PolarHBondContact O-ND2 3.29Å |
| 80 | G | 50.5 | Low | 52.7 | Low | 37 Ų | 37 | 132 Ų | 132 | 38% | 0.381 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -74.1 | -27.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F76 R77 | F76-G80 PolarHBondContact O-N 2.81Å; R77-G80 PolarHBondContact O-N 2.67Å |
| 81 | E | 52.2 | Low | 52.3 | Low | 144 Ų | 144 | 133.4 Ų | 133.4 | 67% | 0.673 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -86.7 | -32 | 179.9 | -70.6 | -178.8 | -173.9 | 0 | 0 | 112.5 | R77 N83 M84 | R77-E81 PolarHBondContact O-N 3.33Å; E81-N83 PolarHBondContact O-N 3.3Å; E81-M84 PolarHBondContact O-N 3.47Å |
| 82 | E | 52.4 | Low | 52.3 | Low | 143 Ų | 143 | 132.2 Ų | 132.2 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.5 | -26.2 | 174.7 | -74.5 | -166.1 | 151.6 | 0 | 0 | 113.1 | S85 | E82-S85 PolarHBondContact O-OG 3.24Å |
| 83 | N | 51.8 | Low | 52 | Low | 97 Ų | 97 | 135.1 Ų | 135.1 | 52% | 0.519 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -89.1 | -7.3 | -179.2 | -73.4 | -68.6 | 0 | 0 | 0 | 114.6 | I79 E81 | I79-N83 PolarHBondContact O-ND2 3.29Å; E81-N83 PolarHBondContact O-N 3.3Å |
| 84 | M | 50.9 | Low | 51.9 | Low | 113 Ų | 113 | 130.1 Ų | 130.1 | 56% | 0.557 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -91.9 | -19.5 | 175.7 | -75.8 | -66.6 | -65.9 | 0 | 0 | 113.3 | E81 | E81-M84 PolarHBondContact O-N 3.47Å |
| 85 | S | 50.8 | Low | 51.9 | Low | 90 Ų | 90 | 127.2 Ų | 127.2 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.6 | -34.1 | 174.8 | 63.9 | 0 | 0 | 0 | 0 | 112 | E82 L87 | E82-S85 PolarHBondContact O-OG 3.24Å; S85-L87 VanDerWaalsContact C-N 3.34Å |
| 86 | V | 52.2 | Low | 51.7 | Low | 119 Ų | 119 | 132.4 Ų | 132.4 | 72% | 0.721 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -26.6 | 179 | -165.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 87 | L | 52.2 | Low | 51.7 | Low | 146 Ų | 146 | 130.1 Ų | 130.1 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -15.1 | -179.1 | -107.7 | 150.3 | 0 | 0 | 0 | 114.3 | S85 | S85-L87 VanDerWaalsContact C-N 3.34Š|
| 88 | L | 53.7 | Low | 51.8 | Low | 121 Ų | 121 | 125.5 Ų | 125.5 | 63% | 0.634 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 14.5 | -178.1 | -100.6 | 152 | 0 | 0 | 0 | 114.6 | R90 | L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 3.17Å |
| 89 | G | 52.9 | Low | 51.8 | Low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | | | trans | 42.7 | 51.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S91 | G89-S91 PolarHBondContact O-N 3.06Š|
| 90 | R | 51.6 | Low | 51.7 | Low | 241 Ų | 241 | 126.2 Ų | 126.2 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | | | trans | -88 | 98.6 | 172.7 | -78 | -175.1 | 144.3 | 167.6 | -6 | 108.1 | L88 | L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 3.17Å |
| 91 | S | 48.9 | Very low | 51.8 | Low | 193 Ų | 193 | 134.3 Ų | 134.3 | 100% | 1.35 | 74% | 0.741 | S | S | * | * | | | trans | -38.9 | 0 | 167 | -111.4 | 0 | 0 | 0 | 0 | 114.4 | G89 | G89-S91 PolarHBondContact O-N 3.06Š|