| 1 | M | 54.2 | Low | 61.3 | Low | 227 Ų | 227 | 164 Ų | 164 | 100% | 1.118 | 83% | 0.825 | S | S | * | * | | | | 0 | 118.2 | 0 | -72.6 | 171.6 | 78.3 | 0 | 0 | 109.1 | K3 | M1-K3 PolarHBondContact O-N 2.91Š|
| 2 | P | 64.4 | Low | 60.1 | Low | 137 Ų | 137 | 156.9 Ų | 156.9 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.6 | 174 | -14.5 | 29.2 | 0 | 0 | 0 | 109.8 | | |
| 3 | K | 70.8 | Confident | 59.6 | Low | 204 Ų | 204 | 157.5 Ų | 157.5 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 130.3 | -177.3 | -65.2 | -178 | -179.7 | 177.1 | 0 | 110.4 | M1 | M1-K3 PolarHBondContact O-N 2.91Š|
| 4 | R | 68.8 | Low | 58.5 | Low | 223 Ų | 223 | 156.7 Ų | 156.7 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 134.1 | 176 | -84.8 | 165.4 | 42.2 | -170.2 | -7.1 | 112.9 | | |
| 5 | K | 68.4 | Low | 58.1 | Low | 202 Ų | 202 | 150.2 Ų | 150.2 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | -121.3 | 100.5 | 152.5 | -69.4 | -64.8 | -163.3 | 176.2 | 0 | 107.4 | | |
| 6 | S | 65.2 | Low | 57.9 | Low | 83 Ų | 83 | 148.2 Ų | 148.2 | 58% | 0.58 | 80% | 0.801 | S | S | * | * | | | trans | -77.6 | 130.3 | 165.1 | 36.2 | 0 | 0 | 0 | 0 | 108.3 | E8 | S6-E8 PolarHBondContact O-N 3.09Å; S6-E8 VanDerWaalsContact O-N 3.13Å |
| 7 | P | 64 | Low | 57.5 | Low | 123 Ų | 123 | 149.8 Ų | 149.8 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -72.5 | 102 | 158 | 29.5 | -27.4 | 0 | 0 | 0 | 107.1 | N9 | P7-N9 VanDerWaalsContact C-N 3.35Å; P7-N9 PolarHBondContact O-N 2.64Å |
| 8 | E | 58.2 | Low | 57.5 | Low | 191 Ų | 191 | 149.8 Ų | 149.8 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -67.8 | 99.8 | 152.9 | -177.3 | 162.2 | -179.9 | 0 | 0 | 106.4 | S6 | S6-E8 PolarHBondContact O-N 3.09Å; S6-E8 VanDerWaalsContact O-N 3.13Å |
| 9 | N | 55.6 | Low | 57.1 | Low | 126 Ų | 126 | 147.6 Ų | 147.6 | 67% | 0.674 | 80% | 0.798 | S | S | * | * | | | trans | -148.3 | 119.1 | 168.8 | -158.2 | -72.5 | 0 | 0 | 0 | 110.1 | P7 | P7-N9 VanDerWaalsContact C-N 3.35Å; P7-N9 PolarHBondContact O-N 2.64Å |
| 10 | T | 52.6 | Low | 57.3 | Low | 117 Ų | 117 | 150.5 Ų | 150.5 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | | | trans | 66.8 | 85.7 | 164.5 | 56.2 | 0 | 0 | 0 | 0 | 116.9 | G12 | T10-G12 PolarHBondContact O-N 2.82Š|
| 11 | E | 52.2 | Low | 57.4 | Low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | | -38 | 95.8 | 127.1 | -170.3 | 162.5 | 149.7 | 0 | 0 | 109.9 | K13 | E11-K13 HydrophobicContact CG-CB 4.33Å; E11-K13 PolarHBondContact O-N 2.85Å |
| 12 | G | 46.3 | Very low | 58.2 | Low | 79 Ų | 79 | 148.3 Ų | 148.3 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | | | trans | -71.1 | 68.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | T10 D14 | T10-G12 PolarHBondContact O-N 2.82Å; G12-D14 PolarHBondContact O-N 3.19Å |
| 13 | K | 54.7 | Low | 58.5 | Low | 164 Ų | 164 | 145.9 Ų | 145.9 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -74.9 | 92.5 | 167.2 | -173.9 | 170.1 | -172.6 | 170.5 | 0 | 107.8 | E11 | E11-K13 HydrophobicContact CG-CB 4.33Å; E11-K13 PolarHBondContact O-N 2.85Å |
| 14 | D | 43.8 | Very low | 58.5 | Low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | trans | -148.9 | 87.3 | 155.9 | -105.1 | -59.9 | 0 | 0 | 0 | 109.7 | G12 | G12-D14 PolarHBondContact O-N 3.19Š|
| 15 | G | 51.8 | Low | 58.6 | Low | 59 Ų | 59 | 138.6 Ų | 138.6 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | | | trans | -60.1 | 158 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 16 | S | 55.8 | Low | 58.6 | Low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | | | trans | 62.5 | 58.5 | 150.1 | -177 | 0 | 0 | 0 | 0 | 116.3 | | |
| 17 | K | 50.7 | Low | 59 | Low | 175 Ų | 175 | 137.1 Ų | 137.1 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | | | trans | -138.2 | 93.4 | 146.1 | -68.5 | -170.6 | -178.5 | 163.2 | 0 | 111.1 | T19 | K17-T19 HydrophobicContact CB-CG2 4.16Å; K17-T19 PolarHBondContact O-N 3.05Å |
| 18 | V | 57.5 | Low | 59.2 | Low | 150 Ų | 150 | 133.9 Ų | 133.9 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | | | trans | -57.9 | 80.2 | 153.3 | 176 | 0 | 0 | 0 | 0 | 107.4 | K20 | V18-K20 VanDerWaalsContact C-N 3.35Å; V18-K20 PolarHBondContact O-N 3.21Å; V18-K20 VanDerWaalsContact O-N 3.09Å |
| 19 | T | 50.1 | Low | 59.6 | Low | 109 Ų | 109 | 133.6 Ų | 133.6 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | | | trans | -79.3 | 90.5 | 170.8 | 45.8 | 0 | 0 | 0 | 0 | 107.6 | K17 Q21 | K17-T19 HydrophobicContact CB-CG2 4.16Å; K17-T19 PolarHBondContact O-N 3.05Å; T19-Q21 PolarHBondContact O-N 3.33Å |
| 20 | K | 60.6 | Low | 60.2 | Low | 204 Ų | 204 | 134.7 Ų | 134.7 | 89% | 0.887 | 71% | 0.71 | S | S | * | * | | | trans | 29.5 | 46.2 | 151.5 | -61.7 | -172.1 | 178.2 | -178.4 | 0 | 115.6 | V18 E22 | V18-K20 VanDerWaalsContact C-N 3.35Å; V18-K20 PolarHBondContact O-N 3.21Å; V18-K20 VanDerWaalsContact O-N 3.09Å; K20-E22 PolarHBondContact O-N 3.4Å |
| 21 | Q | 60.4 | Low | 61.1 | Low | 164 Ų | 164 | 133.5 Ų | 133.5 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | | | trans | -76.1 | 96.8 | 170.1 | -170.2 | -175.4 | 62.4 | 0 | 0 | 102.5 | T19 | T19-Q21 PolarHBondContact O-N 3.33Š|
| 22 | E | 70.6 | Confident | 62.1 | Low | 168 Ų | 168 | 128.5 Ų | 128.5 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | | | trans | -43.3 | 123.1 | 172.1 | -170.4 | -179 | 179 | 0 | 0 | 106.2 | K20 T24 | K20-E22 PolarHBondContact O-N 3.4Å; E22-T24 PolarHBondContact O-N 3.23Å |
| 23 | P | 70.3 | Confident | 63.5 | Low | 86 Ų | 86 | 134.1 Ų | 134.1 | 56% | 0.558 | 70% | 0.696 | S | S | * | * | | | trans | -51.5 | 118.9 | -175.6 | -25.1 | 31.8 | 0 | 0 | 0 | 107.3 | R25 | P23-R25 PolarHBondContact O-N 2.86Š|
| 24 | T | 71.1 | Confident | 64.5 | Low | 73 Ų | 73 | 132.1 Ų | 132.1 | 45% | 0.448 | 70% | 0.7 | S | S | . | * | | | trans | -48.3 | 140.3 | -179.9 | -60.7 | 0 | 0 | 0 | 0 | 107.2 | E22 R26 S27 | E22-T24 PolarHBondContact O-N 3.23Å; T24-R26 CarbonylContact O-C 3.49Å; T24-R26 PolarHBondContact O-N 3.21Å; T24-S27 PolarHBondContact O-N 2.99Å |
| 25 | R | 70.6 | Confident | 66 | Low | 201 Ų | 201 | 129.3 Ų | 129.3 | 76% | 0.758 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -42.2 | -24.7 | -175.6 | -95.5 | -177.9 | 156.8 | -157 | -3.6 | 115.4 | P23 R29 | P23-R25 PolarHBondContact O-N 2.86Å; R25-R29 WeakPolarHBondContact O-CD 3.26Å; R25-R29 VanDerWaalsContact O-CG 3.26Å; R25-R29 WeakPolarHBondContact O-CG 3.42Å |
| 26 | R | 68.7 | Low | 67.2 | Low | 192 Ų | 192 | 131.9 Ų | 131.9 | 73% | 0.725 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -69.6 | -42.8 | 173.8 | -62.3 | -173.8 | 179.3 | 107.1 | -1.3 | 113.5 | T24 R29 L30 | T24-R26 CarbonylContact O-C 3.49Å; T24-R26 PolarHBondContact O-N 3.21Å; R26-R29 PolarHBondContact O-N 3.21Å; R26-L30 WeakPolarHBondContact O-CG 3.33Å; R26-L30 PolarHBondContact O-N 2.9Å; R26-L30 VanDerWaalsContact O-N 3.15Å |
| 27 | S | 74 | Confident | 68.1 | Low | 63 Ų | 63 | 132 Ų | 132 | 44% | 0.441 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -66.7 | -42.4 | -178.1 | -44.4 | 0 | 0 | 0 | 0 | 112.1 | T24 R29 L30 S31 | T24-S27 PolarHBondContact O-N 2.99Å; S27-R29 VanDerWaalsContact C-N 3.27Å; S27-R29 PolarHBondContact O-N 3.32Å; S27-L30 PolarHBondContact O-N 2.68Å; S27-S31 PolarHBondContact O-N 2.73Å; S27-S31 VanDerWaalsContact O-N 3.1Å; S27-S31 PolarHBondContact O-OG 2.9Å |
| 28 | A | 66.8 | Low | 69.1 | Low | 55 Ų | 55 | 132.8 Ų | 132.8 | 46% | 0.455 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -63.7 | -31.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S31 | A28-S31 PolarHBondContact O-OG 3.1Å; A28-S31 VanDerWaalsContact O-OG 3.05Å |
| 29 | R | 68 | Low | 69.9 | Low | 184 Ų | 184 | 131.6 Ų | 131.6 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -72.7 | -30.7 | 175.7 | -74.2 | 173.7 | -179.3 | -163 | -1.2 | 112.8 | R25 R26 S27 | R25-R29 WeakPolarHBondContact O-CD 3.26Å; R25-R29 VanDerWaalsContact O-CG 3.26Å; R25-R29 WeakPolarHBondContact O-CG 3.42Å; R26-R29 PolarHBondContact O-N 3.21Å; S27-R29 VanDerWaalsContact C-N 3.27Å; S27-R29 PolarHBondContact O-N 3.32Å |
| 30 | L | 68.4 | Low | 70.9 | Confident | 150 Ų | 150 | 134.9 Ų | 134.9 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -82.9 | -25.6 | -179.7 | -67 | 170.7 | 0 | 0 | 0 | 112.8 | R26 S27 A32 | R26-L30 WeakPolarHBondContact O-CG 3.33Å; R26-L30 PolarHBondContact O-N 2.9Å; R26-L30 VanDerWaalsContact O-N 3.15Å; S27-L30 PolarHBondContact O-N 2.68Å; L30-A32 VanDerWaalsContact C-N 3.32Å |
| 31 | S | 69.9 | Low | 71.4 | Confident | 92 Ų | 92 | 131 Ų | 131 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -78.2 | -14.8 | 175.5 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | S27 A28 K33 | S27-S31 PolarHBondContact O-N 2.73Å; S27-S31 VanDerWaalsContact O-N 3.1Å; S27-S31 PolarHBondContact O-OG 2.9Å; A28-S31 PolarHBondContact O-OG 3.1Å; A28-S31 VanDerWaalsContact O-OG 3.05Å; S31-K33 PolarHBondContact O-N 3.2Å |
| 32 | A | 74.6 | Confident | 71.7 | Confident | 66 Ų | 66 | 132.1 Ų | 132.1 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -73.5 | 109.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L30 | L30-A32 VanDerWaalsContact C-N 3.32Š|
| 33 | K | 74.9 | Confident | 71.7 | Confident | 197 Ų | 197 | 130.1 Ų | 130.1 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130 | 170 | -77.8 | 174.2 | 177.3 | 170.7 | 0 | 108.5 | S31 A35 | S31-K33 PolarHBondContact O-N 3.2Å; K33-A35 PolarHBondContact O-N 3.19Å |
| 34 | P | 76.1 | Confident | 71.3 | Confident | 121 Ų | 121 | 136.9 Ų | 136.9 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 137.4 | 173.7 | -24.1 | 32.8 | 0 | 0 | 0 | 110.1 | | |
| 35 | A | 75.8 | Confident | 70.9 | Confident | 89 Ų | 89 | 143.5 Ų | 143.5 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | K33 | K33-A35 PolarHBondContact O-N 3.19Š|
| 36 | P | 75.9 | Confident | 70.2 | Confident | 113 Ų | 113 | 140.1 Ų | 140.1 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 136.7 | 177.6 | 23.1 | -31.8 | 0 | 0 | 0 | 108.9 | K38 | P36-K38 PolarHBondContact O-N 3.36Š|
| 37 | P | 74.5 | Confident | 69.6 | Low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131.1 | 176.4 | 23.6 | -32.2 | 0 | 0 | 0 | 108.2 | | |
| 38 | K | 72.6 | Confident | 68.7 | Low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 137.3 | 179.4 | -74.3 | 172.7 | -178.5 | 161 | 0 | 108.4 | P36 E40 | P36-K38 PolarHBondContact O-N 3.36Å; K38-E40 PolarHBondContact O-N 3.15Å |
| 39 | P | 75.3 | Confident | 68.2 | Low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -54 | 128.6 | 176.9 | 21 | -30.9 | 0 | 0 | 0 | 109 | | |
| 40 | E | 69.8 | Low | 67.5 | Low | 178 Ų | 178 | 146.2 Ų | 146.2 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 134.8 | -178.5 | -76.2 | 179.8 | 148.2 | 0 | 0 | 110.2 | K38 K42 | K38-E40 PolarHBondContact O-N 3.15Å; E40-K42 PolarHBondContact O-N 3.25Å |
| 41 | P | 70.4 | Confident | 66.7 | Low | 124 Ų | 124 | 147.9 Ų | 147.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -60 | 114.7 | 170.7 | 24.7 | -30.2 | 0 | 0 | 0 | 107.6 | | |
| 42 | K | 68.1 | Low | 66 | Low | 187 Ų | 187 | 149.4 Ų | 149.4 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -39.4 | 135.6 | 178.6 | -68.8 | 173.8 | 179.8 | 171.6 | 0 | 110.5 | E40 R44 | E40-K42 PolarHBondContact O-N 3.25Å; K42-R44 PolarHBondContact O-N 2.87Å |
| 43 | P | 70.4 | Confident | 64.6 | Low | 125 Ų | 125 | 150.2 Ų | 150.2 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | | | trans | -59 | 106.9 | 173.8 | 23.1 | -31.2 | 0 | 0 | 0 | 108.8 | K45 | P43-K45 PolarHBondContact O-N 3.13Š|
| 44 | R | 62.6 | Low | 63.4 | Low | 228 Ų | 228 | 145 Ų | 145 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -63.3 | 118.2 | 163.3 | -92.7 | -175.4 | 171.6 | -153.2 | -1.4 | 105.7 | K42 T46 | K42-R44 PolarHBondContact O-N 2.87Å; R44-T46 PolarHBondContact O-N 3.16Å |
| 45 | K | 61.3 | Low | 62.4 | Low | 212 Ų | 212 | 148.5 Ų | 148.5 | 92% | 0.922 | 82% | 0.819 | S | S | * | * | | | trans | -50.3 | 101.2 | 170.1 | -67.4 | 177.3 | 177.2 | 179.4 | 0 | 108.8 | P43 | P43-K45 PolarHBondContact O-N 3.13Š|
| 46 | T | 55.8 | Low | 61.5 | Low | 130 Ų | 130 | 151.9 Ų | 151.9 | 80% | 0.798 | 82% | 0.823 | S | S | * | * | | | trans | -97 | 117.3 | 162.3 | 50.8 | 0 | 0 | 0 | 0 | 107.4 | R44 | R44-T46 PolarHBondContact O-N 3.16Š|
| 47 | S | 56.7 | Low | 60.7 | Low | 118 Ų | 118 | 152 Ų | 152 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -45.9 | 149.5 | 178.2 | 45.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 48 | A | 55.1 | Low | 59.5 | Low | 94 Ų | 94 | 157.7 Ų | 157.7 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | | | trans | -52.6 | 155.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 49 | K | 55.7 | Low | 58.3 | Low | 201 Ų | 201 | 152.4 Ų | 152.4 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | | | trans | 82.6 | 103.1 | 138.1 | -155.8 | 174.5 | -171.6 | 177.9 | 0 | 118.3 | | |
| 50 | K | 53.1 | Low | 57.3 | Low | 210 Ų | 210 | 151.3 Ų | 151.3 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | | | | -170.5 | 137 | 120 | -108.2 | -174.2 | 179 | -178.3 | 0 | 112.5 | | |
| 51 | E | 53 | Low | 56.2 | Low | 185 Ų | 185 | 153.2 Ų | 153.2 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 166.2 | -179.3 | -92.6 | -166.8 | 150.4 | 0 | 0 | 115.5 | | |
| 52 | P | 55.1 | Low | 55.3 | Low | 124 Ų | 124 | 151.2 Ų | 151.2 | 81% | 0.805 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 132.2 | -176.4 | 33.2 | -32.6 | 0 | 0 | 0 | 112.7 | | |
| 53 | G | 44.5 | Very low | 54.3 | Low | 82 Ų | 82 | 151.3 Ų | 151.3 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 127.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 54 | A | 49.8 | Very low | 52.9 | Low | 87 Ų | 87 | 155.1 Ų | 155.1 | 72% | 0.719 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 167.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 55 | K | 54.9 | Low | 52.1 | Low | 195 Ų | 195 | 151.5 Ų | 151.5 | 85% | 0.848 | 84% | 0.839 | S | S | * | * | | | trans | 100.8 | 112.1 | 156.6 | -55.3 | 167.3 | -175.3 | 177.9 | 0 | 115.1 | | |
| 56 | I | 56.2 | Low | 50.9 | Low | 160 Ų | 160 | 150.3 Ų | 150.3 | 82% | 0.821 | 84% | 0.836 | S | S | * | * | | | | -174.7 | 125.6 | 97.3 | 46.6 | 171.7 | 0 | 0 | 0 | 111.4 | | |
| 57 | S | 59.5 | Low | 50.7 | Low | 115 Ų | 115 | 153.3 Ų | 153.3 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | | | trans | -113 | 120.3 | 169 | 53.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 58 | R | 50.2 | Low | 50 | Low | 241 Ų | 241 | 156.1 Ų | 156.1 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | | | trans | -151.8 | 130 | 167.1 | -76.8 | -166.1 | -172.5 | 119.4 | 0.7 | 112.6 | | |
| 59 | G | 45.9 | Very low | 48.9 | Very low | 80 Ų | 80 | 160.3 Ų | 160.3 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | | | trans | 96.6 | 136.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 60 | A | 54.5 | Low | 48.4 | Very low | 101 Ų | 101 | 155.5 Ų | 155.5 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | | | cis | -166.7 | 150.2 | -7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 61 | K | 47.5 | Very low | 47.9 | Very low | 218 Ų | 218 | 148.9 Ų | 148.9 | 95% | 0.948 | 83% | 0.831 | S | S | * | * | | | trans | -60.6 | 139.3 | 171.8 | -76.6 | -177.5 | 174.6 | 176.9 | 0 | 111.5 | | |
| 62 | G | 50.6 | Low | 47.5 | Very low | 83 Ų | 83 | 149.4 Ų | 149.4 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | | | trans | -147.9 | 111.2 | 161 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 63 | K | 47.3 | Very low | 47 | Very low | 188 Ų | 188 | 152.5 Ų | 152.5 | 82% | 0.817 | 83% | 0.834 | S | S | * | * | | | trans | -110.9 | 126.4 | -175.9 | -169.3 | -162.6 | -170.1 | -160.3 | 0 | 107.4 | | |
| 64 | K | 42.2 | Very low | 47.3 | Very low | 206 Ų | 206 | 152 Ų | 152 | 90% | 0.896 | 83% | 0.829 | S | S | * | * | | | trans | -166.3 | 135 | 146.1 | -149.6 | 174.9 | 178.1 | -174.1 | 0 | 112.1 | | |
| 65 | E | 45.8 | Very low | 47.3 | Very low | 152 Ų | 152 | 154.8 Ų | 154.8 | 71% | 0.71 | 84% | 0.837 | S | S | * | * | | | trans | -84.9 | 167.6 | -179 | -64.9 | 161.2 | 170.5 | 0 | 0 | 112.1 | | |
| 66 | E | 35.5 | Very low | 47.5 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | | | trans | 113.9 | 132.9 | 138.1 | -152.7 | 168.1 | 173.3 | 0 | 0 | 119.5 | | |
| 67 | K | 50.7 | Low | 47.5 | Very low | 194 Ų | 194 | 148 Ų | 148 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | | | trans | -66.3 | 150.8 | -170.7 | -62.6 | 169.6 | 168.2 | -179.8 | 0 | 114.9 | | |
| 68 | Q | 42.2 | Very low | 47.5 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | | | trans | -155.5 | 116.2 | 132.9 | -71.9 | -160.1 | -76.5 | 0 | 0 | 107.5 | | |
| 69 | E | 33.5 | Very low | 47.9 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | | | | 92.5 | 139.9 | 85.2 | -164.6 | 172 | 146.3 | 0 | 0 | 112.8 | | |
| 70 | A | 44.8 | Very low | 48.6 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | | | trans | -64.5 | 153 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 71 | G | 41.6 | Very low | 48.6 | Very low | 70 Ų | 70 | 145.6 Ų | 145.6 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | 139.7 | 119 | 146 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 72 | K | 45.2 | Very low | 48.9 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | | | trans | 87.6 | 110.3 | 145.3 | -55.5 | -169.7 | -179.6 | -170.6 | 0 | 118.7 | | |
| 73 | E | 45.4 | Very low | 49.5 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | 39.8 | 113.6 | 132.9 | -72.9 | -178.9 | 133.4 | 0 | 0 | 119 | | |
| 74 | G | 50.1 | Low | 50 | Low | 72 Ų | 72 | 146.9 Ų | 146.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | | 54.9 | 95.2 | 126.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 75 | T | 50.4 | Low | 50.9 | Low | 145 Ų | 145 | 141.7 Ų | 141.7 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | 178.9 | 110 | 134.1 | -76.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 76 | A | 57.8 | Low | 51.7 | Low | 83 Ų | 83 | 142.6 Ų | 142.6 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | | | trans | 156.3 | 132.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | S78 | A76-S78 PolarHBondContact O-N 3.03Š|
| 77 | P | 55.9 | Low | 52.9 | Low | 130 Ų | 130 | 141 Ų | 141 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | | | trans | -60.4 | 129.7 | 162.3 | 28.2 | -31.3 | 0 | 0 | 0 | 107.6 | E79 | P77-E79 PolarHBondContact O-N 3.38Š|
| 78 | S | 60.1 | Low | 53.5 | Low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -40.5 | 132.8 | 176.9 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | A76 N80 | A76-S78 PolarHBondContact O-N 3.03Å; S78-N80 PolarHBondContact O-N 3.47Å |
| 79 | E | 58.5 | Low | 54.3 | Low | 163 Ų | 163 | 136.7 Ų | 136.7 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | -38.6 | 110.6 | 168 | -171 | -176.1 | 139.5 | 0 | 0 | 110.1 | P77 G81 | P77-E79 PolarHBondContact O-N 3.38Å; E79-G81 PolarHBondContact O-N 3.11Å |
| 80 | N | 61 | Low | 55.7 | Low | 166 Ų | 166 | 134 Ų | 134 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | -62.7 | 91.7 | 159.3 | -89.7 | -20.6 | 0 | 0 | 0 | 105.4 | S78 E82 | S78-N80 PolarHBondContact O-N 3.47Å; N80-E82 PolarHBondContact O-N 3.33Å |
| 81 | G | 53.9 | Low | 56.6 | Low | 45 Ų | 45 | 134.5 Ų | 134.5 | 46% | 0.464 | 77% | 0.77 | S | S | . | * | | | trans | -48.9 | 135.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E79 T83 | E79-G81 PolarHBondContact O-N 3.11Å; G81-T83 VanDerWaalsContact C-N 3.29Å; G81-T83 PolarHBondContact O-N 2.9Å |
| 82 | E | 54.3 | Low | 57.7 | Low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -46 | 92.8 | 171.7 | -70.1 | 177 | 147.9 | 0 | 0 | 109.9 | N80 K84 | N80-E82 PolarHBondContact O-N 3.33Å; E82-K84 PolarHBondContact O-N 2.83Å; E82-K84 VanDerWaalsContact O-N 3.16Å |
| 83 | T | 63.3 | Low | 58.2 | Low | 133 Ų | 133 | 137.1 Ų | 137.1 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | | | trans | -74.8 | 107.8 | 161.8 | 38 | 0 | 0 | 0 | 0 | 104.4 | G81 A85 | G81-T83 VanDerWaalsContact C-N 3.29Å; G81-T83 PolarHBondContact O-N 2.9Å; T83-A85 PolarHBondContact O-N 2.69Å |
| 84 | K | 57.3 | Low | 59.1 | Low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | trans | -45.6 | 111.9 | 166.4 | -69.2 | -156.1 | 176.6 | -172.3 | 0 | 106.7 | E82 E86 | E82-K84 PolarHBondContact O-N 2.83Å; E82-K84 VanDerWaalsContact O-N 3.16Å; K84-E86 PolarHBondContact O-N 3.34Å |
| 85 | A | 62.1 | Low | 59.6 | Low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | trans | -67.9 | 76.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | T83 E87 | T83-A85 PolarHBondContact O-N 2.69Å; A85-E87 PolarHBondContact O-N 2.84Å |
| 86 | E | 63 | Low | 60.2 | Low | 171 Ų | 171 | 136.1 Ų | 136.1 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | | | trans | -55.1 | 106.2 | 147.8 | -83.1 | -160.2 | 174 | 0 | 0 | 104.4 | K84 I88 | K84-E86 PolarHBondContact O-N 3.34Å; E86-I88 VanDerWaalsContact O-CG1 3.31Å; E86-I88 WeakPolarHBondContact O-CG1 3.31Å; E86-I88 PolarHBondContact O-N 3.28Å |
| 87 | E | 60 | Low | 60.4 | Low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | trans | -36.9 | 96.9 | 178.2 | -162.2 | -175.1 | 149 | 0 | 0 | 109.4 | A85 H89 | A85-E87 PolarHBondContact O-N 2.84Å; E87-H89 VanDerWaalsContact C-N 3.34Å; E87-H89 PolarHBondContact O-CD2 2.8Å; E87-H89 VanDerWaalsContact O-CD2 3.28Å; E87-H89 PolarHBondContact O-N 2.89Å; E87-H89 IonicContact OE1-CD2 3.79Å; E87-H89 IonicContact OE1-CE1 3.53Å; E87-H89 IonicContact OE1-NE2 3.68Å; E87-H89 PolarHBondContact OE1-NE2 3.48Å; E87-H89 IonicContact OE2-NE2 2.69Å |
| 88 | I | 63.5 | Low | 60.7 | Low | 141 Ų | 141 | 137 Ų | 137 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | | | trans | -73.1 | 98.8 | -179.1 | -49.5 | -180 | 0 | 0 | 0 | 105.9 | E86 I90 | E86-I88 VanDerWaalsContact O-CG1 3.31Å; E86-I88 WeakPolarHBondContact O-CG1 3.31Å; E86-I88 PolarHBondContact O-N 3.28Å; I88-I90 HydrophobicContact CB-CG1 4.15Å; I88-I90 HydrophobicContact CG2-CD1 3.93Å; I88-I90 HydrophobicContact CG2-CG1 3.39Å; I88-I90 PolarHBondContact O-N 3.15Å |
| 89 | H | 58.3 | Low | 60.9 | Low | 138 Ų | 138 | 136.7 Ų | 136.7 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | | | trans | -71.5 | 77 | 172.7 | -75.5 | -153.7 | 0 | 0 | 0 | 109 | E87 S91 | E87-H89 VanDerWaalsContact C-N 3.34Å; E87-H89 PolarHBondContact O-CD2 2.8Å; E87-H89 VanDerWaalsContact O-CD2 3.28Å; E87-H89 PolarHBondContact O-N 2.89Å; E87-H89 IonicContact OE1-CD2 3.79Å; E87-H89 IonicContact OE1-CE1 3.53Å; E87-H89 IonicContact OE1-NE2 3.68Å; E87-H89 PolarHBondContact OE1-NE2 3.48Å; E87-H89 IonicContact OE2-NE2 2.69Å; H89-S91 PolarHBondContact O-N 3.45Å |
| 90 | I | 62.3 | Low | 60.9 | Low | 124 Ų | 124 | 134.3 Ų | 134.3 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | -77 | 80.9 | 173.9 | -52.4 | 178 | 0 | 0 | 0 | 108.1 | I88 R92 | I88-I90 HydrophobicContact CB-CG1 4.15Å; I88-I90 HydrophobicContact CG2-CD1 3.93Å; I88-I90 HydrophobicContact CG2-CG1 3.39Å; I88-I90 PolarHBondContact O-N 3.15Å; I90-R92 VanDerWaalsContact C-N 3.32Å; I90-R92 PolarHBondContact O-N 2.92Å |
| 91 | S | 64.4 | Low | 61.2 | Low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | trans | -76.3 | 90.6 | 165.4 | -76.7 | 0 | 0 | 0 | 0 | 109.6 | H89 | H89-S91 PolarHBondContact O-N 3.45Š|
| 92 | R | 64.6 | Low | 61.4 | Low | 226 Ų | 226 | 138.6 Ų | 138.6 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 96.4 | 139.6 | 159.2 | -57.2 | 177.1 | 176.7 | 176.7 | -0.4 | 118.5 | I90 | I90-R92 VanDerWaalsContact C-N 3.32Å; I90-R92 PolarHBondContact O-N 2.92Å |
| 93 | S | 55.4 | Low | 62 | Low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | trans | 92.8 | 80.6 | 150.6 | -159.5 | 0 | 0 | 0 | 0 | 116.4 | V95 | S93-V95 PolarHBondContact O-N 3.15Å; S93-V95 VanDerWaalsContact O-N 3.11Å |
| 94 | T | 64.9 | Low | 62.4 | Low | 122 Ų | 122 | 135 Ų | 135 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | 23.3 | 78.7 | 145.6 | 60.3 | 0 | 0 | 0 | 0 | 115.3 | N96 | T94-N96 PolarHBondContact O-N 3.26Å; T94-N96 VanDerWaalsContact O-N 3.16Å |
| 95 | V | 60 | Low | 63 | Low | 117 Ų | 117 | 131.3 Ų | 131.3 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | | | trans | -76.3 | 102.2 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 107.5 | S93 V97 | S93-V95 PolarHBondContact O-N 3.15Å; S93-V95 VanDerWaalsContact O-N 3.11Å; V95-V97 HydrophobicContact CG1-CG2 4.1Å; V95-V97 PolarHBondContact O-N 3.09Å |
| 96 | N | 63.7 | Low | 63.2 | Low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | trans | -83.7 | 107.7 | 169.1 | -70.6 | -71.6 | 0 | 0 | 0 | 108.4 | T94 S98 | T94-N96 PolarHBondContact O-N 3.26Å; T94-N96 VanDerWaalsContact O-N 3.16Å; N96-S98 PolarHBondContact O-N 2.74Å |
| 97 | V | 61.5 | Low | 63.6 | Low | 122 Ų | 122 | 129.8 Ų | 129.8 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | | | trans | -84.6 | 97.1 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | V95 T99 | V95-V97 HydrophobicContact CG1-CG2 4.1Å; V95-V97 PolarHBondContact O-N 3.09Å; V97-T99 HydrophobicContact CG1-CG2 4.34Å; V97-T99 PolarHBondContact O-N 2.86Å |
| 98 | S | 62.3 | Low | 64.1 | Low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | -91.5 | 96.4 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | N96 S100 | N96-S98 PolarHBondContact O-N 2.74Å; S98-S100 PolarHBondContact O-N 3Å |
| 99 | T | 63.9 | Low | 64.3 | Low | 105 Ų | 105 | 128.5 Ų | 128.5 | 64% | 0.644 | 75% | 0.751 | S | S | * | * | | | trans | -82.8 | 101.5 | 164.1 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | V97 R101 | V97-T99 HydrophobicContact CG1-CG2 4.34Å; V97-T99 PolarHBondContact O-N 2.86Å; T99-R101 PolarHBondContact O-N 3.34Å |
| 100 | S | 59.3 | Low | 64.7 | Low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | -68.8 | 85.8 | 173.6 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | S98 G102 | S98-S100 PolarHBondContact O-N 3Å; S100-G102 PolarHBondContact O-N 3.31Å |
| 101 | R | 66.9 | Low | 64.8 | Low | 234 Ų | 234 | 132.4 Ų | 132.4 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -76.4 | 114.9 | 161.8 | -64.5 | -169 | -127.4 | 170.3 | 0.8 | 107.7 | T99 | T99-R101 PolarHBondContact O-N 3.34Š|
| 102 | G | 58.6 | Low | 64.7 | Low | 67 Ų | 67 | 129.4 Ų | 129.4 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | 128.6 | 90.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S100 | S100-G102 PolarHBondContact O-N 3.31Š|
| 103 | T | 66.9 | Low | 64.6 | Low | 135 Ų | 135 | 128 Ų | 128 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | | -75.7 | 125.5 | 128.9 | 47.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 104 | P | 70.7 | Confident | 64.8 | Low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.7 | 170.4 | 26 | -31.7 | 0 | 0 | 0 | 108.4 | S106 | P104-S106 PolarHBondContact O-N 2.74Å; P104-S106 VanDerWaalsContact O-N 3.09Å |
| 105 | P | 70.1 | Confident | 64.6 | Low | 119 Ų | 119 | 133.4 Ų | 133.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 121.5 | 174.7 | 24.6 | -32.3 | 0 | 0 | 0 | 108.6 | T107 | P105-T107 PolarHBondContact O-N 3.38Å; P105-T107 VanDerWaalsContact O-N 3.15Å |
| 106 | S | 67.8 | Low | 64.7 | Low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -67.2 | 109.5 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | P104 L108 | P104-S106 PolarHBondContact O-N 2.74Å; P104-S106 VanDerWaalsContact O-N 3.09Å; S106-L108 PolarHBondContact O-N 3.16Å |
| 107 | T | 69.8 | Low | 64.5 | Low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -81.4 | 107.7 | 169.1 | 54.4 | 0 | 0 | 0 | 0 | 108.4 | P105 S109 | P105-T107 PolarHBondContact O-N 3.38Å; P105-T107 VanDerWaalsContact O-N 3.15Å; T107-S109 PolarHBondContact O-N 3.06Å; T107-S109 VanDerWaalsContact O-N 3.15Å |
| 108 | L | 71 | Confident | 64.5 | Low | 154 Ų | 154 | 136.6 Ų | 136.6 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | trans | -70.3 | 104.8 | 170.2 | -64 | 174.8 | 0 | 0 | 0 | 108.7 | S106 V110 | S106-L108 PolarHBondContact O-N 3.16Å; L108-V110 PolarHBondContact O-N 3.04Å |
| 109 | S | 67.2 | Low | 64.6 | Low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -77 | 106.6 | 171.4 | -176 | 0 | 0 | 0 | 0 | 109.1 | T107 K111 | T107-S109 PolarHBondContact O-N 3.06Å; T107-S109 VanDerWaalsContact O-N 3.15Å; S109-K111 PolarHBondContact O-N 3.38Å |
| 110 | V | 68.2 | Low | 64 | Low | 130 Ų | 130 | 139.6 Ų | 139.6 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | -80.9 | 99.5 | 169.8 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | L108 G112 | L108-V110 PolarHBondContact O-N 3.04Å; V110-G112 PolarHBondContact O-N 2.84Å |
| 111 | K | 63.1 | Low | 63.7 | Low | 214 Ų | 214 | 141.7 Ų | 141.7 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | | | trans | -78.2 | 73.5 | 167.1 | -167 | 179 | -178.3 | -176.5 | 0 | 108.5 | S109 | S109-K111 PolarHBondContact O-N 3.38Š|
| 112 | G | 63.9 | Low | 63.2 | Low | 50 Ų | 50 | 137.2 Ų | 137.2 | 52% | 0.515 | 78% | 0.777 | S | S | . | * | | | trans | -135.1 | 133.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V110 I114 | V110-G112 PolarHBondContact O-N 2.84Å; G112-I114 PolarHBondContact O-N 2.95Å |
| 113 | Q | 61.3 | Low | 62.9 | Low | 196 Ų | 196 | 140.7 Ų | 140.7 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | | | trans | -53.9 | 120.6 | -168.6 | -64.1 | 150.2 | 18.8 | 0 | 0 | 111.9 | E115 | Q113-E115 VanDerWaalsContact C-N 3.34Å; Q113-E115 PolarHBondContact O-N 3.3Å |
| 114 | I | 60.6 | Low | 62.5 | Low | 159 Ų | 159 | 138.7 Ų | 138.7 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | trans | -70.6 | 99.2 | 158.7 | 49.6 | 158.8 | 0 | 0 | 0 | 107 | G112 T116 | G112-I114 PolarHBondContact O-N 2.95Å; I114-T116 PolarHBondContact O-N 3Å |
| 115 | E | 59.6 | Low | 61.7 | Low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -65.5 | 105.4 | 171.4 | -161 | 172.4 | -159.8 | 0 | 0 | 107.5 | Q113 V117 | Q113-E115 VanDerWaalsContact C-N 3.34Å; Q113-E115 PolarHBondContact O-N 3.3Å; E115-V117 VanDerWaalsContact C-N 3.3Å; E115-V117 PolarHBondContact O-N 3.06Å |
| 116 | T | 61.7 | Low | 61.1 | Low | 111 Ų | 111 | 140.5 Ų | 140.5 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | | | trans | -74.1 | 92.4 | 169.6 | -56.9 | 0 | 0 | 0 | 0 | 106.8 | I114 R118 | I114-T116 PolarHBondContact O-N 3Å; T116-R118 PolarHBondContact O-N 3.4Å |
| 117 | V | 61.1 | Low | 60.3 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | -63.4 | 101.5 | 168.2 | -176 | 0 | 0 | 0 | 0 | 106.7 | E115 A119 | E115-V117 VanDerWaalsContact C-N 3.3Å; E115-V117 PolarHBondContact O-N 3.06Å; V117-A119 PolarHBondContact O-N 3.11Å; V117-A119 VanDerWaalsContact O-N 3.08Å |
| 118 | R | 61.4 | Low | 59.5 | Low | 223 Ų | 223 | 145.2 Ų | 145.2 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | -68.2 | 107.2 | 167.6 | -58.7 | -176.5 | -154 | 179 | 6.2 | 105.6 | T116 Q120 | T116-R118 PolarHBondContact O-N 3.4Å; R118-Q120 PolarHBondContact O-N 3.08Å |
| 119 | A | 62.7 | Low | 58.6 | Low | 92 Ų | 92 | 141.2 Ų | 141.2 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | trans | -58.1 | 107.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | V117 K121 | V117-A119 PolarHBondContact O-N 3.11Å; V117-A119 VanDerWaalsContact O-N 3.08Å; A119-K121 PolarHBondContact O-N 2.94Å; A119-K121 VanDerWaalsContact O-N 3.11Å |
| 120 | Q | 53.3 | Low | 57.4 | Low | 184 Ų | 184 | 148.9 Ų | 148.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -59.8 | 117.5 | 171.1 | -70.8 | -98.1 | 42.2 | 0 | 0 | 106.5 | R118 T122 | R118-Q120 PolarHBondContact O-N 3.08Å; Q120-T122 PolarHBondContact O-N 3.29Å |
| 121 | K | 51.3 | Low | 56.8 | Low | 158 Ų | 158 | 149.8 Ų | 149.8 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | | | trans | -41 | 123.3 | 171.6 | -173.6 | -176.1 | 175 | -143.9 | 0 | 109.4 | A119 E123 | A119-K121 PolarHBondContact O-N 2.94Å; A119-K121 VanDerWaalsContact O-N 3.11Å; K121-E123 IonicContact NZ-OE2 2.78Å; K121-E123 PolarHBondContact NZ-OE2 3.1Å; K121-E123 PolarHBondContact O-N 2.78Å; K121-E123 VanDerWaalsContact O-N 3.1Å |
| 122 | T | 57.7 | Low | 56.5 | Low | 139 Ų | 139 | 146.4 Ų | 146.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -60.1 | 107.3 | 160.9 | 47.3 | 0 | 0 | 0 | 0 | 107.3 | Q120 | Q120-T122 PolarHBondContact O-N 3.29Š|
| 123 | E | 52.6 | Low | 56.1 | Low | 141 Ų | 141 | 151.8 Ų | 151.8 | 66% | 0.659 | 80% | 0.802 | S | S | * | * | | | trans | -109.1 | 107.1 | 164 | -152.9 | 154.5 | 142.9 | 0 | 0 | 106.2 | K121 V125 | K121-E123 IonicContact NZ-OE2 2.78Å; K121-E123 PolarHBondContact NZ-OE2 3.1Å; K121-E123 PolarHBondContact O-N 2.78Å; K121-E123 VanDerWaalsContact O-N 3.1Å; E123-V125 PolarHBondContact O-N 3.4Å |
| 124 | S | 58.6 | Low | 55.8 | Low | 92 Ų | 92 | 149.2 Ų | 149.2 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | | | trans | -52.9 | 119.2 | 169.7 | 40 | 0 | 0 | 0 | 0 | 108.9 | D126 | S124-D126 PolarHBondContact O-N 3.3Š|
| 125 | V | 53.6 | Low | 55.5 | Low | 133 Ų | 133 | 148.6 Ų | 148.6 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | trans | -87.2 | 96.8 | 162.2 | -177.7 | 0 | 0 | 0 | 0 | 105.8 | E123 N127 | E123-V125 PolarHBondContact O-N 3.4Å; V125-N127 PolarHBondContact O-N 3.43Å |
| 126 | D | 56 | Low | 55.2 | Low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -58.4 | 111.7 | 159.6 | -65.5 | -63.6 | 0 | 0 | 0 | 107.3 | S124 E128 | S124-D126 PolarHBondContact O-N 3.3Å; D126-E128 PolarHBondContact O-N 3.19Å |
| 127 | N | 51.7 | Low | 54.7 | Low | 152 Ų | 152 | 149.6 Ų | 149.6 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -94.1 | 88.8 | 173.6 | -158.4 | 19.2 | 0 | 0 | 0 | 107.9 | V125 | V125-N127 PolarHBondContact O-N 3.43Š|
| 128 | E | 52.4 | Low | 54.2 | Low | 183 Ų | 183 | 151.9 Ų | 151.9 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -78.8 | 119.6 | 163.8 | -78 | -80.3 | 152.3 | 0 | 0 | 108.8 | D126 | D126-E128 PolarHBondContact O-N 3.19Š|
| 129 | G | 52.3 | Low | 53.7 | Low | 69 Ų | 69 | 146 Ų | 146 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | 100.4 | 101.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 130 | E | 41.8 | Very low | 52.8 | Low | 274 Ų | 274 | 150.9 Ų | 150.9 | 100% | 1.28 | 81% | 0.808 | S | S | * | * | | | | -154.9 | 0 | 107.1 | -158.2 | 177 | 172.8 | 0 | 0 | 110.4 | | |