| 1 | Y | 37.5 | Very low | 44.4 | Very low | 280 Ų | 280 | 153.7 Ų | 153.7 | 100% | 1.098 | 79% | 0.787 | S | S | * | * | | | | 0 | 83.4 | 0 | -70.3 | -87.9 | 0 | 0 | 0 | 107.3 | | |
| 2 | L | 41.7 | Very low | 45.5 | Very low | 146 Ų | 146 | 151 Ų | 151 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | | 55.5 | 101.3 | 85.3 | -79.9 | 165.9 | 0 | 0 | 0 | 113.4 | | |
| 3 | H | 42.4 | Very low | 46.3 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | | 166.1 | 102.1 | 114.9 | -90.6 | 97.9 | 0 | 0 | 0 | 108.7 | | |
| 4 | S | 39.8 | Very low | 47.2 | Very low | 85 Ų | 85 | 152.1 Ų | 152.1 | 59% | 0.594 | 80% | 0.799 | S | S | * | * | | | | 42.6 | 86 | 92.8 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | L6 | S4-L6 VanDerWaalsContact C-N 3.35Å; S4-L6 PolarHBondContact O-N 2.84Å; S4-L6 VanDerWaalsContact O-N 3.11Å |
| 5 | S | 46.2 | Very low | 47.8 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | -77.9 | 87.5 | 162.7 | 54.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 6 | L | 47.8 | Very low | 48.5 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | | | trans | -71.4 | 132.2 | 168.5 | -80.3 | 164.6 | 0 | 0 | 0 | 110.4 | S4 | S4-L6 VanDerWaalsContact C-N 3.35Å; S4-L6 PolarHBondContact O-N 2.84Å; S4-L6 VanDerWaalsContact O-N 3.11Å |
| 7 | L | 49.5 | Very low | 49.2 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | | | trans | 55.5 | 116.8 | 142.8 | -67.7 | 161.9 | 0 | 0 | 0 | 118.6 | | |
| 8 | Q | 45.6 | Very low | 49.8 | Very low | 191 Ų | 191 | 149.2 Ų | 149.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | | | | -151.5 | 107.1 | 125.1 | -148.4 | 160.7 | -34.6 | 0 | 0 | 112 | S10 | Q8-S10 PolarHBondContact O-N 3.33Š|
| 9 | F | 42.2 | Very low | 50.4 | Low | 168 Ų | 168 | 150.4 Ų | 150.4 | 74% | 0.737 | 80% | 0.803 | S | S | * | * | | | trans | -58.4 | 113.2 | 159 | -106.2 | -96.4 | 0 | 0 | 0 | 107.8 | M11 | F9-M11 HydrophobicContact CD1-CE 3.7Å; F9-M11 HydrophobicContact CE1-CE 4.32Å; F9-M11 PolarHBondContact O-N 3.49Å; F9-M11 VanDerWaalsContact O-N 3.14Å |
| 10 | S | 48.1 | Very low | 50.7 | Low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -80.4 | 92.5 | 166.9 | -169 | 0 | 0 | 0 | 0 | 107.8 | Q8 S12 | Q8-S10 PolarHBondContact O-N 3.33Å; S10-S12 PolarHBondContact O-N 3.27Å |
| 11 | M | 47.6 | Very low | 51 | Low | 141 Ų | 141 | 148 Ų | 148 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | trans | -62.8 | 121.4 | 166.6 | -70.1 | -83.2 | 97.8 | 0 | 0 | 108.3 | F9 K13 | F9-M11 HydrophobicContact CD1-CE 3.7Å; F9-M11 HydrophobicContact CE1-CE 4.32Å; F9-M11 PolarHBondContact O-N 3.49Å; F9-M11 VanDerWaalsContact O-N 3.14Å; M11-K13 PolarHBondContact O-N 2.76Å |
| 12 | S | 57.6 | Low | 52.1 | Low | 121 Ų | 121 | 141.2 Ų | 141.2 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -57.1 | 102.8 | 171.9 | -51.3 | 0 | 0 | 0 | 0 | 109.5 | S10 S14 | S10-S12 PolarHBondContact O-N 3.27Å; S12-S14 PolarHBondContact O-N 2.86Å |
| 13 | K | 56 | Low | 53.1 | Low | 204 Ų | 204 | 139.9 Ų | 139.9 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | | | trans | -64.5 | 105.7 | 168.1 | -93.2 | 176.8 | 172.3 | 176 | 0 | 107.7 | M11 A15 | M11-K13 PolarHBondContact O-N 2.76Å; K13-A15 PolarHBondContact O-N 2.64Å; K13-A15 VanDerWaalsContact O-N 3.16Å |
| 14 | S | 58.7 | Low | 53.8 | Low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -66.6 | 113 | 162.6 | 68.8 | 0 | 0 | 0 | 0 | 107.2 | S12 Q16 | S12-S14 PolarHBondContact O-N 2.86Å; S14-Q16 PolarHBondContact O-N 3.03Å; S14-Q16 VanDerWaalsContact O-N 3.07Å |
| 15 | A | 56.8 | Low | 54.5 | Low | 87 Ų | 87 | 138.5 Ų | 138.5 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | | | trans | -60.9 | 112.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | K13 M17 | K13-A15 PolarHBondContact O-N 2.64Å; K13-A15 VanDerWaalsContact O-N 3.16Å; A15-M17 PolarHBondContact O-N 3.34Å; A15-M17 VanDerWaalsContact O-N 3.14Å |
| 16 | Q | 57.9 | Low | 55.4 | Low | 192 Ų | 192 | 141.6 Ų | 141.6 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | -71.8 | 106.2 | 171.8 | -148.9 | 175.3 | -5.5 | 0 | 0 | 106.5 | S14 | S14-Q16 PolarHBondContact O-N 3.03Å; S14-Q16 VanDerWaalsContact O-N 3.07Å |
| 17 | M | 61 | Low | 55.7 | Low | 160 Ų | 160 | 140.6 Ų | 140.6 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | | | trans | -64 | 128.7 | 176.7 | -69.1 | -72.7 | -80.2 | 0 | 0 | 108.5 | A15 L19 | A15-M17 PolarHBondContact O-N 3.34Å; A15-M17 VanDerWaalsContact O-N 3.14Å; M17-L19 PolarHBondContact O-N 2.93Å; M17-L19 VanDerWaalsContact O-N 3.14Å |
| 18 | P | 60.5 | Low | 56.3 | Low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | trans | -64.4 | 119.1 | 172 | 24.6 | -29.6 | 0 | 0 | 0 | 108.4 | S20 | P18-S20 PolarHBondContact O-N 3.13Š|
| 19 | L | 59.9 | Low | 57.1 | Low | 172 Ų | 172 | 137.2 Ų | 137.2 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | | | trans | -62.8 | 104.7 | 167.5 | -73.3 | 162 | 0 | 0 | 0 | 106.9 | M17 N21 | M17-L19 PolarHBondContact O-N 2.93Å; M17-L19 VanDerWaalsContact O-N 3.14Å; L19-N21 PolarHBondContact O-N 2.78Å |
| 20 | S | 56.3 | Low | 57.6 | Low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -61.1 | 102.3 | 170.6 | 30.9 | 0 | 0 | 0 | 0 | 108.1 | P18 I22 | P18-S20 PolarHBondContact O-N 3.13Å; S20-I22 PolarHBondContact O-N 3.08Å |
| 21 | N | 58.7 | Low | 58.4 | Low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -72.7 | 86.8 | 171.8 | -147.3 | -4.6 | 0 | 0 | 0 | 106.7 | L19 T23 | L19-N21 PolarHBondContact O-N 2.78Å; N21-T23 PolarHBondContact O-N 3.17Å |
| 22 | I | 59.9 | Low | 59 | Low | 136 Ų | 136 | 137.8 Ų | 137.8 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | | | trans | -67.5 | 91.8 | 175.5 | -60.7 | 175.8 | 0 | 0 | 0 | 106.4 | S20 V24 | S20-I22 PolarHBondContact O-N 3.08Å; I22-V24 VanDerWaalsContact C-N 3.35Å; I22-V24 HydrophobicContact CG2-CG2 4.45Å; I22-V24 PolarHBondContact O-N 3.17Å |
| 23 | T | 62 | Low | 59.3 | Low | 119 Ų | 119 | 137.1 Ų | 137.1 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | -70 | 100.3 | 164.5 | -58.2 | 0 | 0 | 0 | 0 | 106 | N21 P25 | N21-T23 PolarHBondContact O-N 3.17Å; T23-P25 WeakPolarHBondContact O-CD 2.96Å |
| 24 | V | 57.5 | Low | 59.6 | Low | 109 Ų | 109 | 131.8 Ų | 131.8 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 122.1 | 173.1 | -169.8 | 0 | 0 | 0 | 0 | 107.2 | I22 K26 | I22-V24 VanDerWaalsContact C-N 3.35Å; I22-V24 HydrophobicContact CG2-CG2 4.45Å; I22-V24 PolarHBondContact O-N 3.17Å; V24-K26 PolarHBondContact O-N 3.37Å; V24-K26 VanDerWaalsContact O-N 3.08Å |
| 25 | P | 55.2 | Low | 60.1 | Low | 111 Ų | 111 | 129.3 Ų | 129.3 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 117.6 | 169.8 | -17 | 29.6 | 0 | 0 | 0 | 107.4 | T23 | T23-P25 WeakPolarHBondContact O-CD 2.96Š|
| 26 | K | 64.1 | Low | 60.4 | Low | 193 Ų | 193 | 131.6 Ų | 131.6 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 130.3 | 168 | -78.8 | 165.2 | 174.5 | 158.2 | 0 | 107.3 | V24 S28 | V24-K26 PolarHBondContact O-N 3.37Å; V24-K26 VanDerWaalsContact O-N 3.08Å; K26-S28 VanDerWaalsContact C-N 3.32Å; K26-S28 PolarHBondContact O-N 3.16Å |
| 27 | P | 54.9 | Low | 61.3 | Low | 119 Ų | 119 | 128.2 Ų | 128.2 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | | | trans | -62.3 | 102.8 | 169.4 | 25.3 | -30.5 | 0 | 0 | 0 | 106.5 | I29 | P27-I29 VanDerWaalsContact C-N 3.29Å; P27-I29 PolarHBondContact O-N 2.96Å |
| 28 | S | 62.1 | Low | 62.2 | Low | 109 Ų | 109 | 122.6 Ų | 122.6 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | | | trans | -65.4 | 100 | 167 | 54.1 | 0 | 0 | 0 | 0 | 105.3 | K26 S30 | K26-S28 VanDerWaalsContact C-N 3.32Å; K26-S28 PolarHBondContact O-N 3.16Å; S28-S30 VanDerWaalsContact C-N 3.3Å; S28-S30 PolarHBondContact O-N 2.94Å |
| 29 | I | 61 | Low | 63.2 | Low | 148 Ų | 148 | 120.5 Ų | 120.5 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | | | trans | -55.6 | 107.2 | 162.5 | -63.8 | 173.2 | 0 | 0 | 0 | 104.4 | P27 R31 | P27-I29 VanDerWaalsContact C-N 3.29Å; P27-I29 PolarHBondContact O-N 2.96Å; I29-R31 PolarHBondContact O-N 3.26Å |
| 30 | S | 54.3 | Low | 64.1 | Low | 93 Ų | 93 | 116.6 Ų | 116.6 | 65% | 0.65 | 66% | 0.662 | S | S | * | * | | | trans | -64.3 | 94.8 | 171.8 | -173.3 | 0 | 0 | 0 | 0 | 105.5 | S28 V32 | S28-S30 VanDerWaalsContact C-N 3.3Å; S28-S30 PolarHBondContact O-N 2.94Å; S30-V32 PolarHBondContact O-N 3.09Å; S30-V32 WeakPolarHBondContact OG-CG2 3.33Å |
| 31 | R | 64 | Low | 65.3 | Low | 231 Ų | 231 | 116.8 Ų | 116.8 | 87% | 0.872 | 65% | 0.652 | S | S | * | * | | | trans | -69.5 | 71.1 | 158.5 | -80.2 | -171.7 | -77.2 | -125.5 | -1.4 | 105.9 | I29 P33 | I29-R31 PolarHBondContact O-N 3.26Å; R31-P33 WeakPolarHBondContact O-CD 3.33Å |
| 32 | V | 60.2 | Low | 66.6 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 65% | 0.648 | 64% | 0.642 | S | S | * | * | | | trans | -55.1 | 120.3 | 159.1 | -163.5 | 0 | 0 | 0 | 0 | 103.4 | S30 S34 | S30-V32 PolarHBondContact O-N 3.09Å; S30-V32 WeakPolarHBondContact OG-CG2 3.33Å; V32-S34 PolarHBondContact O-N 3.12Å |
| 33 | P | 63.3 | Low | 67.8 | Low | 107 Ų | 107 | 113 Ų | 113 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | | | trans | -55.5 | 125.2 | 170.5 | 23.4 | -29.9 | 0 | 0 | 0 | 105.5 | R31 S35 | R31-P33 WeakPolarHBondContact O-CD 3.33Å; P33-S35 PolarHBondContact O-N 3.42Å |
| 34 | S | 62.3 | Low | 68.8 | Low | 93 Ų | 93 | 112.9 Ų | 112.9 | 65% | 0.65 | 62% | 0.619 | S | S | * | * | | | trans | -58.4 | 98.8 | 164.3 | -179.7 | 0 | 0 | 0 | 0 | 104.6 | V32 M36 I39 | V32-S34 PolarHBondContact O-N 3.12Å; S34-M36 PolarHBondContact O-N 3.4Å; S34-I39 WeakPolarHBondContact OG-CD1 3.19Å |
| 35 | S | 69.8 | Low | 69.7 | Low | 60 Ų | 60 | 115.2 Ų | 115.2 | 42% | 0.42 | 62% | 0.621 | S | S | . | * | | | trans | -61.8 | 107.6 | 177.6 | 168.1 | 0 | 0 | 0 | 0 | 104.9 | P33 E37 G38 I39 | P33-S35 PolarHBondContact O-N 3.42Å; S35-E37 WeakPolarHBondContact CA-OE2 3.03Å; S35-E37 PolarHBondContact O-N 3.27Å; S35-E37 VanDerWaalsContact O-N 3.12Å; S35-E37 PolarHBondContact OG-OE2 3.42Å; S35-G38 PolarHBondContact O-N 3.24Å; S35-I39 PolarHBondContact O-N 3.31Å |
| 36 | M | 64.1 | Low | 70.7 | Confident | 136 Ų | 136 | 114.7 Ų | 114.7 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51.5 | -34.2 | 176.8 | -173 | 78.7 | 72.2 | 0 | 0 | 109.7 | S34 G38 I39 N40 | S34-M36 PolarHBondContact O-N 3.4Å; M36-G38 VanDerWaalsContact C-N 3.32Å; M36-G38 PolarHBondContact O-N 3.44Å; M36-I39 PolarHBondContact O-N 2.97Å; M36-N40 PolarHBondContact O-N 2.61Å |
| 37 | E | 75.8 | Confident | 70.9 | Confident | 121 Ų | 121 | 112.9 Ų | 112.9 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.8 | -36.4 | 178.4 | -55.1 | 73 | -156.4 | 0 | 0 | 112.2 | S35 H41 | S35-E37 WeakPolarHBondContact CA-OE2 3.03Å; S35-E37 PolarHBondContact O-N 3.27Å; S35-E37 VanDerWaalsContact O-N 3.12Å; S35-E37 PolarHBondContact OG-OE2 3.42Å; E37-H41 PolarHBondContact O-CD2 3.12Å; E37-H41 VanDerWaalsContact O-CD2 3.27Å; E37-H41 PolarHBondContact O-N 2.81Å |
| 38 | G | 79.5 | Confident | 71.6 | Confident | 41 Ų | 41 | 113.5 Ų | 113.5 | 42% | 0.423 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.7 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S35 M36 N40 H41 E42 | S35-G38 PolarHBondContact O-N 3.24Å; M36-G38 VanDerWaalsContact C-N 3.32Å; M36-G38 PolarHBondContact O-N 3.44Å; G38-N40 VanDerWaalsContact C-N 3.35Å; G38-H41 PolarHBondContact O-N 2.84Å; G38-E42 PolarHBondContact O-N 3.46Å; G38-E42 VanDerWaalsContact O-N 3.12Å |
| 39 | I | 81.6 | Confident | 71.5 | Confident | 74 Ų | 74 | 116.9 Ų | 116.9 | 38% | 0.379 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.8 | -40.3 | 177.3 | -62.9 | 174.1 | 0 | 0 | 0 | 110 | S34 S35 M36 H41 E42 L43 | S34-I39 WeakPolarHBondContact OG-CD1 3.19Å; S35-I39 PolarHBondContact O-N 3.31Å; M36-I39 PolarHBondContact O-N 2.97Å; I39-H41 VanDerWaalsContact C-N 3.33Å; I39-H41 PolarHBondContact O-N 2.95Å; I39-E42 WeakPolarHBondContact O-CB 3.42Å; I39-E42 PolarHBondContact O-N 2.93Å; I39-E42 VanDerWaalsContact O-N 3.09Å; I39-L43 HydrophobicContact CG2-CD1 4.17Å; I39-L43 HydrophobicContact CG2-CG 4.32Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 2.77Å |
| 40 | N | 79.7 | Confident | 71.4 | Confident | 90 Ų | 90 | 117.4 Ų | 117.4 | 48% | 0.481 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.3 | -43.5 | 178.6 | -130.3 | 13.3 | 0 | 0 | 0 | 111.7 | M36 G38 E42 L43 E44 | M36-N40 PolarHBondContact O-N 2.61Å; G38-N40 VanDerWaalsContact C-N 3.35Å; N40-E42 VanDerWaalsContact C-N 3.31Å; N40-E42 PolarHBondContact O-N 2.94Å; N40-L43 PolarHBondContact O-N 3.07Å; N40-E44 WeakPolarHBondContact O-CG 3.47Å; N40-E44 PolarHBondContact O-N 3.46Å |
| 41 | H | 82.4 | Confident | 71.3 | Confident | 106 Ų | 106 | 119.3 Ų | 119.3 | 49% | 0.491 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.1 | -23.6 | 174.9 | -68 | -31.6 | 0 | 0 | 0 | 114.3 | E37 G38 I39 E44 K45 | E37-H41 PolarHBondContact O-CD2 3.12Å; E37-H41 VanDerWaalsContact O-CD2 3.27Å; E37-H41 PolarHBondContact O-N 2.81Å; G38-H41 PolarHBondContact O-N 2.84Å; I39-H41 VanDerWaalsContact C-N 3.33Å; I39-H41 PolarHBondContact O-N 2.95Å; H41-E44 IonicContact CE1-OE2 3.83Å; H41-E44 IonicContact CG-OE2 3.95Å; H41-E44 IonicContact ND1-OE2 2.93Å; H41-E44 PolarHBondContact ND1-OE2 2.96Å; H41-K45 WeakPolarHBondContact O-CD 3.47Å; H41-K45 WeakPolarHBondContact O-CE 3.31Å; H41-K45 VanDerWaalsContact O-CG 3.31Å; H41-K45 WeakPolarHBondContact O-CG 3.42Å |
| 42 | E | 85.4 | Confident | 71 | Confident | 128 Ų | 128 | 112.6 Ų | 112.6 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.1 | -42.7 | 170.9 | -172 | -179.9 | 165.9 | 0 | 0 | 110.8 | G38 I39 N40 K45 V46 | G38-E42 PolarHBondContact O-N 3.46Å; G38-E42 VanDerWaalsContact O-N 3.12Å; I39-E42 WeakPolarHBondContact O-CB 3.42Å; I39-E42 PolarHBondContact O-N 2.93Å; I39-E42 VanDerWaalsContact O-N 3.09Å; N40-E42 VanDerWaalsContact C-N 3.31Å; N40-E42 PolarHBondContact O-N 2.94Å; E42-K45 WeakPolarHBondContact O-CB 3.37Å; E42-K45 PolarHBondContact O-N 2.67Å; E42-K45 VanDerWaalsContact O-N 3.16Å; E42-V46 PolarHBondContact O-N 2.81Å |
| 43 | L | 84 | Confident | 70.3 | Confident | 79 Ų | 79 | 116.1 Ų | 116.1 | 41% | 0.414 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63 | -41.8 | 176.1 | -66.4 | 176.6 | 0 | 0 | 0 | 112 | I39 N40 K45 V46 F47 | I39-L43 HydrophobicContact CG2-CD1 4.17Å; I39-L43 HydrophobicContact CG2-CG 4.32Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 2.77Å; N40-L43 PolarHBondContact O-N 3.07Å; L43-K45 PolarHBondContact O-N 3.31Å; L43-K45 VanDerWaalsContact O-N 3.17Å; L43-V46 HydrophobicContact CD2-CG2 4.38Å; L43-V46 WeakPolarHBondContact O-CG2 3.2Å; L43-V46 PolarHBondContact O-N 2.95Å; L43-F47 HydrophobicContact CD2-CE2 4.36Å; L43-F47 WeakPolarHBondContact O-CD2 3.12Å; L43-F47 PolarHBondContact O-N 2.81Å; L43-F47 VanDerWaalsContact O-N 3.08Å |
| 44 | E | 82.8 | Confident | 69.9 | Low | 115 Ų | 115 | 119.7 Ų | 119.7 | 54% | 0.537 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.5 | -25.7 | 175.1 | -73.1 | 167.6 | 174.8 | 0 | 0 | 113.2 | N40 H41 | N40-E44 WeakPolarHBondContact O-CG 3.47Å; N40-E44 PolarHBondContact O-N 3.46Å; H41-E44 IonicContact CE1-OE2 3.83Å; H41-E44 IonicContact CG-OE2 3.95Å; H41-E44 IonicContact ND1-OE2 2.93Å; H41-E44 PolarHBondContact ND1-OE2 2.96Å |
| 45 | K | 76.6 | Confident | 69.5 | Low | 158 Ų | 158 | 122.5 Ų | 122.5 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -82.6 | -29 | 177.8 | -67.5 | 167.6 | -169.9 | 173.3 | 0 | 113.4 | H41 E42 L43 | H41-K45 WeakPolarHBondContact O-CD 3.47Å; H41-K45 WeakPolarHBondContact O-CE 3.31Å; H41-K45 VanDerWaalsContact O-CG 3.31Å; H41-K45 WeakPolarHBondContact O-CG 3.42Å; E42-K45 WeakPolarHBondContact O-CB 3.37Å; E42-K45 PolarHBondContact O-N 2.67Å; E42-K45 VanDerWaalsContact O-N 3.16Å; L43-K45 PolarHBondContact O-N 3.31Å; L43-K45 VanDerWaalsContact O-N 3.17Å |
| 46 | V | 76.6 | Confident | 68.6 | Low | 101 Ų | 101 | 125.8 Ų | 125.8 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -81.4 | -32.7 | 176.6 | -70.4 | 0 | 0 | 0 | 0 | 111.7 | E42 L43 I48 | E42-V46 PolarHBondContact O-N 2.81Å; L43-V46 HydrophobicContact CD2-CG2 4.38Å; L43-V46 WeakPolarHBondContact O-CG2 3.2Å; L43-V46 PolarHBondContact O-N 2.95Å; V46-I48 PolarHBondContact O-N 3.44Å |
| 47 | F | 67.6 | Low | 68.1 | Low | 154 Ų | 154 | 126.8 Ų | 126.8 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -95 | 70.3 | 172.3 | -56.7 | -69.6 | 0 | 0 | 0 | 109.6 | L43 K49 | L43-F47 HydrophobicContact CD2-CE2 4.36Å; L43-F47 WeakPolarHBondContact O-CD2 3.12Å; L43-F47 PolarHBondContact O-N 2.81Å; L43-F47 VanDerWaalsContact O-N 3.08Å; F47-K49 PolarHBondContact O-N 3.24Å |
| 48 | I | 70.2 | Confident | 66.9 | Low | 133 Ų | 133 | 128.6 Ų | 128.6 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | | | trans | -56.5 | 117.5 | 162.9 | -61.3 | 171.9 | 0 | 0 | 0 | 105.6 | V46 D50 | V46-I48 PolarHBondContact O-N 3.44Å; I48-D50 PolarHBondContact O-N 2.87Å |
| 49 | K | 60.4 | Low | 65.9 | Low | 180 Ų | 180 | 131.5 Ų | 131.5 | 78% | 0.783 | 67% | 0.672 | S | S | * | * | | | trans | -58.4 | 102.4 | 175.6 | 178.9 | 168.4 | 175.3 | 176 | 0 | 107.5 | F47 N51 | F47-K49 PolarHBondContact O-N 3.24Å; K49-N51 PolarHBondContact O-N 2.91Å; K49-N51 PolarHBondContact O-OD1 2.73Å |
| 50 | D | 58 | Low | 64.8 | Low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | | | trans | -60 | 89.2 | 168.7 | -83 | -26.8 | 0 | 0 | 0 | 108 | I48 G52 | I48-D50 PolarHBondContact O-N 2.87Å; D50-G52 PolarHBondContact O-N 3.12Å |
| 51 | N | 54.2 | Low | 63.8 | Low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | | | trans | -77.6 | 103.7 | 166.4 | 40.4 | 1.6 | 0 | 0 | 0 | 106.3 | K49 E53 | K49-N51 PolarHBondContact O-N 2.91Å; K49-N51 PolarHBondContact O-OD1 2.73Å; N51-E53 PolarHBondContact O-N 3.12Å |
| 52 | G | 56.4 | Low | 63 | Low | 90 Ų | 90 | 140.5 Ų | 140.5 | 93% | 0.928 | 72% | 0.722 | S | S | * | * | | | trans | -51.9 | 96.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D50 | D50-G52 PolarHBondContact O-N 3.12Š|
| 53 | E | 45.8 | Very low | 62.1 | Low | 182 Ų | 182 | 139.5 Ų | 139.5 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | | | trans | -138.6 | 137.2 | 152 | -165.2 | 179.8 | -175.6 | 0 | 0 | 107.8 | N51 D55 | N51-E53 PolarHBondContact O-N 3.12Å; E53-D55 PolarHBondContact O-N 2.94Å |
| 54 | K | 55 | Low | 61.5 | Low | 182 Ų | 182 | 141.1 Ų | 141.1 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | trans | -53.6 | 132.9 | -175.1 | -59.2 | -178.6 | 169.8 | -174.7 | 0 | 110.6 | | |
| 55 | D | 53.8 | Low | 61.1 | Low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | | | | 174.1 | 131.8 | 111.5 | -85.2 | -41.8 | 0 | 0 | 0 | 111.9 | E53 | E53-D55 PolarHBondContact O-N 2.94Š|
| 56 | E | 51.5 | Low | 61.2 | Low | 130 Ų | 130 | 142.4 Ų | 142.4 | 61% | 0.607 | 75% | 0.754 | S | S | * | * | | | trans | 57 | 74.9 | 155.1 | -139.6 | -176.5 | 145 | 0 | 0 | 119.1 | K58 | E56-K58 PolarHBondContact O-N 3.17Å; E56-K58 WeakPolarHBondContact OE1-CD 3.42Å; E56-K58 WeakPolarHBondContact OE1-CE 3.1Å; E56-K58 IonicContact OE1-NZ 2.64Å; E56-K58 PolarHBondContact OE1-NZ 2.82Å |
| 57 | L | 52.1 | Low | 61.5 | Low | 157 Ų | 157 | 145.4 Ų | 145.4 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -54.3 | 75.3 | 147.6 | 34.6 | -69.4 | 0 | 0 | 0 | 111.9 | S59 | L57-S59 PolarHBondContact O-N 3.08Å; L57-S59 VanDerWaalsContact O-N 3.13Å |
| 58 | K | 50.8 | Low | 62.1 | Low | 159 Ų | 159 | 141.9 Ų | 141.9 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | trans | -77.5 | 75.4 | 147.6 | -88.3 | 170.6 | 176.9 | 141.7 | 0 | 107.2 | E56 L60 | E56-K58 PolarHBondContact O-N 3.17Å; E56-K58 WeakPolarHBondContact OE1-CD 3.42Å; E56-K58 WeakPolarHBondContact OE1-CE 3.1Å; E56-K58 IonicContact OE1-NZ 2.64Å; E56-K58 PolarHBondContact OE1-NZ 2.82Å; K58-L60 PolarHBondContact O-N 3Å |
| 59 | S | 58.3 | Low | 62.7 | Low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -48.6 | 110.2 | 153.7 | 43.1 | 0 | 0 | 0 | 0 | 106.5 | L57 E61 | L57-S59 PolarHBondContact O-N 3.08Å; L57-S59 VanDerWaalsContact O-N 3.13Å; S59-E61 VanDerWaalsContact C-N 3.28Å; S59-E61 PolarHBondContact O-N 2.73Å |
| 60 | L | 58.3 | Low | 63.7 | Low | 159 Ų | 159 | 139.8 Ų | 139.8 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -54.5 | 101.9 | 168.6 | -69 | 166.2 | 0 | 0 | 0 | 105.7 | K58 V62 | K58-L60 PolarHBondContact O-N 3Å; L60-V62 VanDerWaalsContact C-N 3.32Å; L60-V62 PolarHBondContact O-N 3.19Å |
| 61 | E | 59.9 | Low | 64.8 | Low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | trans | -57.6 | 100.8 | 175.1 | -179 | 179.6 | 169.2 | 0 | 0 | 105.9 | S59 P63 | S59-E61 VanDerWaalsContact C-N 3.28Å; S59-E61 PolarHBondContact O-N 2.73Å; E61-P63 WeakPolarHBondContact O-CD 3.26Å |
| 62 | V | 64.4 | Low | 66.1 | Low | 123 Ų | 123 | 136.2 Ų | 136.2 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | | | trans | -63.5 | 111.5 | 172.4 | 177.6 | 0 | 0 | 0 | 0 | 104.2 | L60 D64 | L60-V62 VanDerWaalsContact C-N 3.32Å; L60-V62 PolarHBondContact O-N 3.19Å; V62-D64 PolarHBondContact O-N 3.03Å |
| 63 | P | 67.9 | Low | 66.9 | Low | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | trans | -59.2 | 119.1 | 176.6 | 23.8 | -30.1 | 0 | 0 | 0 | 105.6 | E61 G65 | E61-P63 WeakPolarHBondContact O-CD 3.26Å; P63-G65 PolarHBondContact O-N 2.91Å |
| 64 | D | 71.9 | Confident | 67.9 | Low | 112 Ų | 112 | 140.2 Ų | 140.2 | 60% | 0.599 | 74% | 0.739 | S | S | * | * | | | trans | -65.1 | 85.3 | 179.8 | -177.1 | 22.3 | 0 | 0 | 0 | 108.4 | V62 R66 R67 | V62-D64 PolarHBondContact O-N 3.03Å; D64-R66 PolarHBondContact O-N 2.88Å; D64-R66 VanDerWaalsContact OD1-CB 3.26Å; D64-R66 WeakPolarHBondContact OD1-CB 3.2Å; D64-R66 WeakPolarHBondContact OD1-CD 3.34Å; D64-R66 WeakPolarHBondContact OD1-CG 3.19Å; D64-R66 PolarHBondContact OD1-N 2.83Å; D64-R66 IonicContact OD1-NE 3.87Å; D64-R67 PolarHBondContact O-N 3.35Å |
| 65 | G | 74.3 | Confident | 68.2 | Low | 73 Ų | 73 | 143.1 Ų | 143.1 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 8.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P63 | P63-G65 PolarHBondContact O-N 2.91Š|
| 66 | R | 77 | Confident | 68.3 | Low | 227 Ų | 227 | 140.7 Ų | 140.7 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -19.5 | 170.1 | -64.3 | 176.9 | -178.3 | -88.7 | -1.7 | 111.8 | D64 | D64-R66 PolarHBondContact O-N 2.88Å; D64-R66 VanDerWaalsContact OD1-CB 3.26Å; D64-R66 WeakPolarHBondContact OD1-CB 3.2Å; D64-R66 WeakPolarHBondContact OD1-CD 3.34Å; D64-R66 WeakPolarHBondContact OD1-CG 3.19Å; D64-R66 PolarHBondContact OD1-N 2.83Å; D64-R66 IonicContact OD1-NE 3.87Å |
| 67 | R | 83.3 | Confident | 68.6 | Low | 164 Ų | 164 | 140.5 Ų | 140.5 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -91.2 | 119.9 | 173 | -160.6 | 177 | -173.9 | -162.1 | 4 | 110.7 | D64 F70 | D64-R67 PolarHBondContact O-N 3.35Å; R67-F70 VanDerWaalsContact NH1-CZ 3.3Å; R67-F70 VanDerWaalsContact NH2-CE1 3.3Å |
| 68 | A | 81.2 | Confident | 68.7 | Low | 80 Ų | 80 | 138.4 Ų | 138.4 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 140 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 69 | P | 82.1 | Confident | 69 | Low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 144.2 | 174.6 | 24.5 | -32.8 | 0 | 0 | 0 | 109.8 | | |
| 70 | F | 80.9 | Confident | 68.9 | Low | 147 Ų | 147 | 142 Ų | 142 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 138.1 | 174.5 | -72.3 | -80.8 | 0 | 0 | 0 | 109.5 | R67 | R67-F70 VanDerWaalsContact NH1-CZ 3.3Å; R67-F70 VanDerWaalsContact NH2-CE1 3.3Å |
| 71 | P | 82.4 | Confident | 68.8 | Low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 136.1 | 174.2 | 24.2 | -32.2 | 0 | 0 | 0 | 108.4 | Q73 | P71-Q73 PolarHBondContact O-N 2.94Å; P71-Q73 VanDerWaalsContact O-N 3.12Å |
| 72 | P | 79.9 | Confident | 68.5 | Low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 125 | 175.9 | 23.2 | -31.5 | 0 | 0 | 0 | 107.5 | Q74 | P72-Q74 VanDerWaalsContact C-N 3.27Å; P72-Q74 PolarHBondContact O-N 3.49Å |
| 73 | Q | 74.8 | Confident | 67.7 | Low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | trans | -58.9 | 96.9 | 175.7 | -83.1 | -173.6 | -79.1 | 0 | 0 | 108 | P71 R75 | P71-Q73 PolarHBondContact O-N 2.94Å; P71-Q73 VanDerWaalsContact O-N 3.12Å; Q73-R75 PolarHBondContact O-N 3.32Å; Q73-R75 VanDerWaalsContact O-N 3.12Å |
| 74 | Q | 66.1 | Low | 67 | Low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | | | trans | -55.3 | 119.4 | 161.1 | -67.9 | -98.6 | -53.2 | 0 | 0 | 104.8 | P72 S76 | P72-Q74 VanDerWaalsContact C-N 3.27Å; P72-Q74 PolarHBondContact O-N 3.49Å; Q74-S76 PolarHBondContact O-N 2.94Å |
| 75 | R | 60.7 | Low | 65.6 | Low | 244 Ų | 244 | 142.5 Ų | 142.5 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | | | trans | -65.1 | 81.6 | 169.2 | -73.7 | -177.6 | 133.6 | -107.2 | -1 | 107.3 | Q73 S77 | Q73-R75 PolarHBondContact O-N 3.32Å; Q73-R75 VanDerWaalsContact O-N 3.12Å; R75-S77 PolarHBondContact O-N 2.74Å |
| 76 | S | 56 | Low | 64 | Low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -77 | 100.9 | 173.9 | -65.5 | 0 | 0 | 0 | 0 | 108.1 | Q74 S78 | Q74-S76 PolarHBondContact O-N 2.94Å; S76-S78 PolarHBondContact O-N 3.05Å |
| 77 | S | 58 | Low | 62.9 | Low | 126 Ų | 126 | 139.8 Ų | 139.8 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | | | trans | -68.6 | 83.5 | 157 | -50.8 | 0 | 0 | 0 | 0 | 108.4 | R75 | R75-S77 PolarHBondContact O-N 2.74Š|
| 78 | S | 55.5 | Low | 61.1 | Low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -145.6 | 109.5 | 157.1 | -164.5 | 0 | 0 | 0 | 0 | 109.4 | S76 | S76-S78 PolarHBondContact O-N 3.05Š|
| 79 | S | 56.8 | Low | 59.5 | Low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -72.7 | 144.8 | -175.3 | -171 | 0 | 0 | 0 | 0 | 111.6 | | |
| 80 | R | 54.8 | Low | 58.1 | Low | 230 Ų | 230 | 139.3 Ų | 139.3 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | 137.8 | 88 | 155.1 | -77.7 | 167.3 | 156.8 | -147.4 | -14.8 | 110.4 | | |
| 81 | S | 57 | Low | 56.4 | Low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | | 59.9 | 104.7 | 68.2 | 86 | 0 | 0 | 0 | 0 | 114.8 | | |
| 82 | V | 54.3 | Low | 55 | Low | 141 Ų | 141 | 142.8 Ų | 142.8 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | | | trans | 56.1 | 119.9 | 147.6 | -60.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 83 | D | 46.3 | Very low | 53.7 | Low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | | -169 | 167.6 | 105.9 | -148.8 | -5.3 | 0 | 0 | 0 | 111.8 | | |
| 84 | T | 53.2 | Low | 52.6 | Low | 109 Ų | 109 | 138.9 Ų | 138.9 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | -95.5 | 161.6 | -154.8 | 46.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 85 | Q | 42.8 | Very low | 52 | Low | 188 Ų | 188 | 136.5 Ų | 136.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | | | trans | 80.6 | 121.8 | 157.1 | -65.2 | 178.4 | 3.6 | 0 | 0 | 121.3 | | |
| 86 | T | 40.4 | Very low | 51.3 | Low | 134 Ų | 134 | 130.4 Ų | 130.4 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -81.9 | 170.5 | 165.9 | -31.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 87 | P | 53.6 | Low | 50.9 | Low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | cis | -124.6 | 167.8 | -29.7 | 25.6 | -4.6 | 0 | 0 | 0 | 113.4 | | |
| 88 | S | 45.6 | Very low | 50.5 | Low | 128 Ų | 128 | 129.6 Ų | 129.6 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | -152.6 | 135.8 | 153.2 | -76.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 89 | A | 48.2 | Very low | 50.3 | Low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | | | trans | -85.9 | -153.6 | -159.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 90 | P | 52.2 | Low | 50.2 | Low | 132 Ų | 132 | 131.1 Ų | 131.1 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | | -90.9 | 124 | -114 | 22 | -1.4 | 0 | 0 | 0 | 113.2 | | |
| 91 | G | 45.8 | Very low | 50 | Low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | -118.8 | 114.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | S93 | G91-S93 PolarHBondContact O-N 3Š|
| 92 | R | 53.8 | Low | 49.6 | Very low | 252 Ų | 252 | 126.7 Ų | 126.7 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | | | trans | -56.6 | 121.4 | 172.7 | -64.6 | 158.3 | 62.4 | -169.4 | 0.9 | 110.2 | | |
| 93 | S | 51.3 | Low | 49.4 | Very low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | -144.8 | 90.9 | 151.6 | 61.8 | 0 | 0 | 0 | 0 | 109.4 | G91 S95 | G91-S93 PolarHBondContact O-N 3Å; S93-S95 PolarHBondContact O-N 3.14Å |
| 94 | S | 52.9 | Low | 49.5 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -56.3 | 125 | 154.8 | 45.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 95 | S | 52.7 | Low | 49.5 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -159.9 | 106 | 149.5 | -80.8 | 0 | 0 | 0 | 0 | 108.3 | S93 | S93-S95 PolarHBondContact O-N 3.14Š|
| 96 | C | 45.7 | Very low | 49.7 | Very low | 117 Ų | 117 | 120 Ų | 120 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -51.6 | 135.3 | 164.6 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 97 | S | 48.1 | Very low | 50 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -135.8 | 62 | 164.7 | -66.4 | 0 | 0 | 0 | 0 | 109 | L99 | S97-L99 VanDerWaalsContact C-N 3.29Å; S97-L99 PolarHBondContact O-N 3.19Å |
| 98 | S | 50.2 | Low | 50.1 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -76.4 | 83.8 | 159 | 48.8 | 0 | 0 | 0 | 0 | 108.2 | S100 | S98-S100 PolarHBondContact O-N 3.12Å; S98-S100 VanDerWaalsContact O-N 3.12Å |
| 99 | L | 50.5 | Low | 50.3 | Low | 168 Ų | 168 | 119.9 Ų | 119.9 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -80.6 | 77.3 | 166.9 | -71.2 | 174.4 | 0 | 0 | 0 | 108.9 | S97 | S97-L99 VanDerWaalsContact C-N 3.29Å; S97-L99 PolarHBondContact O-N 3.19Å |
| 100 | S | 54.1 | Low | 50 | Low | 85 Ų | 85 | 118.9 Ų | 118.9 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | | | trans | -88.2 | 128 | 159.4 | -37.4 | 0 | 0 | 0 | 0 | 107 | S98 C102 | S98-S100 PolarHBondContact O-N 3.12Å; S98-S100 VanDerWaalsContact O-N 3.12Å; S100-C102 VanDerWaalsContact C-N 3.35Å; S100-C102 PolarHBondContact O-N 2.77Å |
| 101 | P | 51 | Low | 50 | Low | 131 Ų | 131 | 118.6 Ų | 118.6 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -73.8 | 93.9 | 169.5 | 6.5 | 8.1 | 0 | 0 | 0 | 107.8 | | |
| 102 | C | 49.3 | Very low | 50.1 | Low | 101 Ų | 101 | 123.7 Ų | 123.7 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | | | trans | -79.9 | 124.1 | 164.6 | -80 | 0 | 0 | 0 | 0 | 108.5 | S100 S104 | S100-C102 VanDerWaalsContact C-N 3.35Å; S100-C102 PolarHBondContact O-N 2.77Å; C102-S104 PolarHBondContact O-N 3.39Å; C102-S104 VanDerWaalsContact O-N 3.11Å |
| 103 | P | 49.4 | Very low | 50 | Low | 127 Ų | 127 | 119.3 Ų | 119.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -75.5 | 95.8 | 161.5 | 30.1 | -26.9 | 0 | 0 | 0 | 107 | | |
| 104 | S | 48.7 | Very low | 49.5 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 126.8 | 168.5 | -63 | 0 | 0 | 0 | 0 | 108.8 | C102 A106 | C102-S104 PolarHBondContact O-N 3.39Å; C102-S104 VanDerWaalsContact O-N 3.11Å; S104-A106 PolarHBondContact O-N 2.79Å |
| 105 | P | 52.3 | Low | 48.8 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 122 | 171.1 | 28.1 | -28.9 | 0 | 0 | 0 | 108 | C107 | P105-C107 PolarHBondContact O-N 3.18Š|
| 106 | A | 48.1 | Very low | 49 | Very low | 99 Ų | 99 | 117.3 Ų | 117.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 118 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S104 | S104-A106 PolarHBondContact O-N 2.79Š|
| 107 | C | 45.9 | Very low | 48.9 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 128.8 | 168.7 | -60.1 | 0 | 0 | 0 | 0 | 109 | P105 | P105-C107 PolarHBondContact O-N 3.18Š|
| 108 | P | 57 | Low | 48.7 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 142.3 | 169.8 | 28.9 | -29.8 | 0 | 0 | 0 | 109.9 | G110 | P108-G110 PolarHBondContact O-N 2.76Š|
| 109 | P | 49.7 | Very low | 48.9 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 119.9 | 174.1 | 31.7 | -28.3 | 0 | 0 | 0 | 108.7 | | |
| 110 | G | 40.8 | Very low | 48.5 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | 162.2 | 86.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P108 H112 | P108-G110 PolarHBondContact O-N 2.76Å; G110-H112 PolarHBondContact O-N 3.33Å |
| 111 | S | 53.3 | Low | 48.1 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | -59.5 | 113.4 | 160.5 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 112 | H | 46.7 | Very low | 48.1 | Very low | 179 Ų | 179 | 125.2 Ų | 125.2 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | | | trans | -134.6 | 123.7 | 150.9 | -163.1 | -80.1 | 0 | 0 | 0 | 108.7 | G110 | G110-H112 PolarHBondContact O-N 3.33Š|
| 113 | D | 52.1 | Low | 48 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -49.9 | 133.4 | 176.5 | -157.9 | 21.5 | 0 | 0 | 0 | 111.2 | | |
| 114 | G | 41.8 | Very low | 48.1 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | 165.5 | 102.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 115 | S | 38.3 | Very low | 47.9 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | trans | -46.4 | 162.4 | 176.8 | -147.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 116 | P | 56.3 | Low | 47.7 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -83.9 | 155.3 | -173 | 34.6 | -26.7 | 0 | 0 | 0 | 112.5 | | |
| 117 | Y | 44.4 | Very low | 47.7 | Very low | 225 Ų | 225 | 139.5 Ų | 139.5 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | 82.1 | 105.9 | -176.7 | -70.2 | -94.3 | 0 | 0 | 0 | 116 | | |
| 118 | S | 42.8 | Very low | 47.8 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | -135.3 | 126.8 | 148.9 | -155.2 | 0 | 0 | 0 | 0 | 109.1 | E120 | S118-E120 VanDerWaalsContact C-OE2 3.3Å; S118-E120 WeakPolarHBondContact CB-OE2 3.34Å; S118-E120 PolarHBondContact OG-OE1 2.74Å; S118-E120 PolarHBondContact OG-OE2 3.14Å |
| 119 | T | 54.1 | Low | 47.1 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | -103.8 | 107.8 | -178.5 | -63.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 120 | E | 42.2 | Very low | 47.2 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | trans | -149.5 | 127.4 | 167.3 | 50.8 | -75.8 | 169.7 | 0 | 0 | 111.8 | S118 | S118-E120 VanDerWaalsContact C-OE2 3.3Å; S118-E120 WeakPolarHBondContact CB-OE2 3.34Å; S118-E120 PolarHBondContact OG-OE1 2.74Å; S118-E120 PolarHBondContact OG-OE2 3.14Å |
| 121 | D | 47.3 | Very low | 47.7 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | | | trans | -84.9 | 160.8 | -171.8 | -147.1 | -20.2 | 0 | 0 | 0 | 110.1 | | |
| 122 | L | 50.9 | Low | 47.9 | Very low | 130 Ų | 130 | 139 Ų | 139 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | | | trans | 82.2 | 104.4 | 166.8 | -43.1 | -173.4 | 0 | 0 | 0 | 118 | | |
| 123 | L | 46.7 | Very low | 48.5 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 93% | 0.927 | 76% | 0.756 | S | S | * | * | | | | -167.6 | 118.9 | 107.4 | -82.2 | -166.2 | 0 | 0 | 0 | 109.6 | | |
| 124 | Y | 50.8 | Low | 49 | Very low | 225 Ų | 225 | 132.3 Ų | 132.3 | 88% | 0.882 | 74% | 0.739 | S | S | * | * | | | trans | -89.1 | 127.7 | 172.2 | -76.3 | -96 | 0 | 0 | 0 | 110.6 | | |
| 125 | D | 45.3 | Very low | 50 | Low | 122 Ų | 122 | 135.1 Ų | 135.1 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | | | trans | -164.6 | 102.3 | 146.2 | -154.2 | -112 | 0 | 0 | 0 | 108.3 | | |
| 126 | R | 47.2 | Very low | 51.3 | Low | 211 Ų | 211 | 134.6 Ų | 134.6 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | | 79.9 | 133.2 | 107.5 | -166 | -174.5 | -45.3 | -129.6 | -5 | 113.6 | | |
| 127 | D | 47.6 | Very low | 52 | Low | 117 Ų | 117 | 134 Ų | 134 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | | | cis | -176.6 | 154.9 | -6.7 | 174.1 | 34.3 | 0 | 0 | 0 | 105.9 | | |
| 128 | K | 48.7 | Very low | 53 | Low | 150 Ų | 150 | 131.7 Ų | 131.7 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | | | trans | 63 | 124.5 | 169.2 | -57.4 | -58.9 | 163.3 | 170 | 0 | 118.8 | | |
| 129 | D | 42.7 | Very low | 54.1 | Low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | S | Bend | cis | -137.4 | 123 | 49.4 | -71.1 | -59 | 0 | 0 | 0 | 115 | | |
| 130 | S | 51.3 | Low | 54.6 | Low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | | | trans | 58.8 | 57 | 140.3 | -54.9 | 0 | 0 | 0 | 0 | 119.1 | S132 | S130-S132 PolarHBondContact O-N 3.07Š|
| 131 | G | 51.3 | Low | 55.9 | Low | 70 Ų | 70 | 126.7 Ų | 126.7 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | | | trans | -60.1 | 128.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S133 | G131-S133 PolarHBondContact O-N 2.92Š|
| 132 | S | 58.4 | Low | 57 | Low | 83 Ų | 83 | 125.1 Ų | 125.1 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | | | trans | -57.5 | 95.7 | 171.5 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | S130 S134 | S130-S132 PolarHBondContact O-N 3.07Å; S132-S134 PolarHBondContact O-N 2.96Å |
| 133 | S | 59.5 | Low | 58.1 | Low | 127 Ų | 127 | 122.7 Ų | 122.7 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | | | trans | -78.4 | 58.9 | 176.6 | -172.2 | 0 | 0 | 0 | 0 | 110.6 | G131 | G131-S133 PolarHBondContact O-N 2.92Š|
| 134 | S | 61.1 | Low | 59.6 | Low | 72 Ų | 72 | 122.1 Ų | 122.1 | 50% | 0.503 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -117 | 135.1 | 159.5 | 19.6 | 0 | 0 | 0 | 0 | 105.9 | S132 L136 | S132-S134 PolarHBondContact O-N 2.96Å; S134-L136 VanDerWaalsContact C-N 3.27Å; S134-L136 PolarHBondContact O-N 3.49Å |
| 135 | P | 63.6 | Low | 60.7 | Low | 131 Ų | 131 | 118.1 Ų | 118.1 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | | | trans | -60.5 | 99.9 | 171.5 | 24.6 | -30.5 | 0 | 0 | 0 | 106.8 | | |
| 136 | L | 65.3 | Low | 61.9 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 57% | 0.571 | 69% | 0.692 | S | S | * | * | | | trans | -59.7 | 132.8 | -178.7 | -73.7 | 176.4 | 0 | 0 | 0 | 106.9 | S134 K138 A140 | S134-L136 VanDerWaalsContact C-N 3.27Å; S134-L136 PolarHBondContact O-N 3.49Å; L136-K138 PolarHBondContact O-N 2.83Å; L136-A140 HydrophobicContact CB-CB 4.2Å; L136-A140 HydrophobicContact CD2-CB 4.42Å |
| 137 | P | 71.5 | Confident | 62.9 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 58% | 0.584 | 68% | 0.68 | S | S | * | * | | | trans | -47.1 | 139.4 | 170.4 | -25.6 | 30.6 | 0 | 0 | 0 | 109.1 | F139 A140 | P137-F139 PolarHBondContact O-N 2.89Å; P137-A140 HydrophobicContact CB-CB 4.06Å; P137-A140 HydrophobicContact CG-CB 4.14Å; P137-A140 VanDerWaalsContact O-CB 3.28Å; P137-A140 WeakPolarHBondContact O-CB 2.91Å; P137-A140 PolarHBondContact O-N 3.16Å |
| 138 | K | 64.4 | Low | 64.2 | Low | 176 Ų | 176 | 114.3 Ų | 114.3 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -5 | -179.6 | 63.8 | -179.5 | 176.3 | 177.1 | 0 | 114.9 | L136 | L136-K138 PolarHBondContact O-N 2.83Š|
| 139 | F | 66.1 | Low | 65.2 | Low | 126 Ų | 126 | 113.8 Ų | 113.8 | 55% | 0.553 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 7.1 | 177.5 | -52.7 | -63.9 | 0 | 0 | 0 | 113.7 | P137 S141 Y149 | P137-F139 PolarHBondContact O-N 2.89Å; F139-S141 VanDerWaalsContact C-N 3.35Å; F139-Y149 HydrophobicContact CE1-CE1 4.21Å |
| 140 | A | 65.7 | Low | 66.7 | Low | 54 Ų | 54 | 112.7 Ų | 112.7 | 45% | 0.446 | 67% | 0.67 | S | S | . | * | | | trans | -80.3 | -16.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L136 P137 | L136-A140 HydrophobicContact CB-CB 4.2Å; L136-A140 HydrophobicContact CD2-CB 4.42Å; P137-A140 HydrophobicContact CB-CB 4.06Å; P137-A140 HydrophobicContact CG-CB 4.14Å; P137-A140 VanDerWaalsContact O-CB 3.28Å; P137-A140 WeakPolarHBondContact O-CB 2.91Å; P137-A140 PolarHBondContact O-N 3.16Å |
| 141 | S | 69.2 | Low | 67.5 | Low | 91 Ų | 91 | 113.4 Ų | 113.4 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -82.9 | 128.7 | 168.6 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | F139 | F139-S141 VanDerWaalsContact C-N 3.35Š|
| 142 | S | 70.6 | Confident | 68.4 | Low | 109 Ų | 109 | 117.8 Ų | 117.8 | 76% | 0.762 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137.2 | 171.4 | -70 | 0 | 0 | 0 | 0 | 109.2 | K144 | S142-K144 PolarHBondContact O-N 3.06Š|
| 143 | P | 74.4 | Confident | 69.1 | Low | 79 Ų | 79 | 122.5 Ų | 122.5 | 51% | 0.513 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 138.2 | 175.3 | -16.5 | 27.3 | 0 | 0 | 0 | 109.6 | N147 | P143-N147 WeakPolarHBondContact CB-O 3.28Š|
| 144 | K | 76.8 | Confident | 70 | Confident | 165 Ų | 165 | 124.8 Ų | 124.8 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 151.7 | 177.5 | -69.1 | 175.3 | 178 | 173 | 0 | 108.9 | S142 N146 N147 | S142-K144 PolarHBondContact O-N 3.06Å; K144-N146 PolarHBondContact O-N 2.93Å; K144-N147 HydrophobicContact CB-CB 3.96Å; K144-N147 CarbonylContact O-C 3.46Å; K144-N147 PolarHBondContact O-N 3.11Å |
| 145 | P | 74.6 | Confident | 71.2 | Confident | 141 Ų | 141 | 125.5 Ų | 125.5 | 92% | 0.916 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -27.5 | -176.6 | -28.7 | 34.6 | 0 | 0 | 0 | 115.2 | | |
| 146 | N | 70.8 | Confident | 72.2 | Confident | 170 Ų | 170 | 123.8 Ų | 123.8 | 91% | 0.909 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 14.5 | 176.5 | -101.8 | -45.9 | 0 | 0 | 0 | 114.2 | K144 | K144-N146 PolarHBondContact O-N 2.93Š|
| 147 | N | 67.5 | Low | 73.2 | Confident | 101 Ų | 101 | 128.4 Ų | 128.4 | 54% | 0.54 | 67% | 0.671 | S | S | . | * | | | trans | -126.2 | 76.8 | 174.9 | -165.6 | -25.3 | 0 | 0 | 0 | 107.4 | P143 K144 Y149 | P143-N147 WeakPolarHBondContact CB-O 3.28Å; K144-N147 HydrophobicContact CB-CB 3.96Å; K144-N147 CarbonylContact O-C 3.46Å; K144-N147 PolarHBondContact O-N 3.11Å; N147-Y149 PolarHBondContact O-N 3.37Å |
| 148 | S | 74.9 | Confident | 73.8 | Confident | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | | | trans | -69.6 | 112 | 173.4 | 60.5 | 0 | 0 | 0 | 0 | 108.8 | M150 | S148-M150 PolarHBondContact O-N 3.14Š|
| 149 | Y | 70.6 | Confident | 74.8 | Confident | 139 Ų | 139 | 123.3 Ų | 123.3 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | | | trans | -72.6 | 98.6 | 164 | -169.5 | -106.2 | 0 | 0 | 0 | 107.5 | F139 N147 F151 | F139-Y149 HydrophobicContact CE1-CE1 4.21Å; N147-Y149 PolarHBondContact O-N 3.37Å; Y149-F151 PolarHBondContact O-N 3.31Å |
| 150 | M | 73.3 | Confident | 75.8 | Confident | 127 Ų | 127 | 125.2 Ų | 125.2 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | | | trans | -62.6 | 105.1 | 168 | -73.4 | -170.9 | -72.3 | 0 | 0 | 106.6 | S148 K152 | S148-M150 PolarHBondContact O-N 3.14Å; M150-K152 PolarHBondContact O-N 3.19Å |
| 151 | F | 67.9 | Low | 76.6 | Confident | 122 Ų | 122 | 132.2 Ų | 132.2 | 54% | 0.535 | 70% | 0.704 | S | S | . | * | | | trans | -65.4 | 91.8 | 171.2 | -155.1 | -45.3 | 0 | 0 | 0 | 106.7 | Y149 R153 | Y149-F151 PolarHBondContact O-N 3.31Å; F151-R153 HydrophobicContact CD1-CB 4.04Å; F151-R153 HydrophobicContact CD1-CG 2.98Å; F151-R153 HydrophobicContact CE1-CB 4.17Å; F151-R153 HydrophobicContact CE1-CG 3.04Å; F151-R153 HydrophobicContact CG-CG 3.85Å; F151-R153 HydrophobicContact CZ-CG 3.94Å; F151-R153 PolarHBondContact O-N 3.26Å |
| 152 | K | 70.9 | Confident | 77.4 | Confident | 162 Ų | 162 | 135 Ų | 135 | 70% | 0.704 | 71% | 0.709 | S | S | * | * | | | trans | -70.8 | 85 | 163.3 | -60.4 | -60 | -174 | -178.7 | 0 | 105.2 | M150 E154 | M150-K152 PolarHBondContact O-N 3.19Å; K152-E154 PolarHBondContact O-N 3.11Å |
| 153 | R | 73.1 | Confident | 78.1 | Confident | 182 Ų | 182 | 139.4 Ų | 139.4 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | | | trans | -72.9 | 115.8 | 166 | -73.6 | -170.3 | -179.7 | 174 | 2.4 | 104.3 | F151 | F151-R153 HydrophobicContact CD1-CB 4.04Å; F151-R153 HydrophobicContact CD1-CG 2.98Å; F151-R153 HydrophobicContact CE1-CB 4.17Å; F151-R153 HydrophobicContact CE1-CG 3.04Å; F151-R153 HydrophobicContact CG-CG 3.85Å; F151-R153 HydrophobicContact CZ-CG 3.94Å; F151-R153 PolarHBondContact O-N 3.26Å |
| 154 | E | 78.9 | Confident | 78.5 | Confident | 174 Ų | 174 | 139.9 Ų | 139.9 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 135.8 | 153.2 | -63.8 | -166.7 | 161.3 | 0 | 0 | 106.7 | K152 | K152-E154 PolarHBondContact O-N 3.11Š|
| 155 | P | 85.6 | Confident | 78.7 | Confident | 87 Ų | 87 | 140.7 Ų | 140.7 | 57% | 0.565 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 136.8 | 173.6 | -25.8 | 34.1 | 0 | 0 | 0 | 108.8 | C159 | P155-C159 HydrophobicContact CB-CB 3.6Š|
| 156 | P | 83.9 | Confident | 78.8 | Confident | 96 Ų | 96 | 142.9 Ų | 142.9 | 62% | 0.623 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 145.1 | 175.6 | -28.6 | 33.6 | 0 | 0 | 0 | 111.7 | G158 C159 | P156-G158 PolarHBondContact O-N 3.49Å; P156-C159 WeakPolarHBondContact O-CB 3.33Å; P156-C159 PolarHBondContact O-N 2.59Å |
| 157 | E | 86.1 | Confident | 78.9 | Confident | 205 Ų | 205 | 143.1 Ų | 143.1 | 96% | 0.958 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | 126.7 | 172.9 | -74.8 | -172.2 | 159.3 | 0 | 0 | 109.5 | | |
| 158 | G | 84.9 | Confident | 78.5 | Confident | 84 Ų | 84 | 150.3 Ų | 150.3 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.4 | -3.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P156 E160 | P156-G158 PolarHBondContact O-N 3.49Å; G158-E160 PolarHBondContact O-N 3.26Å |
| 159 | C | 85.3 | Confident | 78.6 | Confident | 75 Ų | 75 | 152.9 Ų | 152.9 | 51% | 0.507 | 76% | 0.76 | S | S | . | * | | | trans | -76.9 | 103.8 | 168.8 | -74 | 0 | 0 | 0 | 0 | 110.9 | P155 P156 | P155-C159 HydrophobicContact CB-CB 3.6Å; P156-C159 WeakPolarHBondContact O-CB 3.33Å; P156-C159 PolarHBondContact O-N 2.59Å |
| 160 | E | 86.4 | Confident | 79.1 | Confident | 166 Ų | 166 | 153.6 Ų | 153.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -71 | 147.5 | 170.4 | 61.9 | -175.1 | 178.7 | 0 | 0 | 112 | G158 I162 | G158-E160 PolarHBondContact O-N 3.26Å; E160-I162 HydrophobicContact CG-CG2 4.4Å |
| 161 | K | 82.3 | Confident | 79.4 | Confident | 202 Ų | 202 | 155.1 Ų | 155.1 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | | | trans | -89 | 108.2 | 171.8 | -66.8 | 176.8 | -176.4 | 172.1 | 0 | 108.1 | | |
| 162 | I | 86.6 | Confident | 80 | Confident | 148 Ų | 148 | 157 Ų | 157 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 136.7 | 170.2 | 63.6 | 173.5 | 0 | 0 | 0 | 109.5 | E160 | E160-I162 HydrophobicContact CG-CG2 4.4Š|
| 163 | K | 84.4 | Confident | 80.6 | Confident | 202 Ų | 202 | 156.7 Ų | 156.7 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 117.2 | 170.8 | -171.1 | 176.4 | 178.4 | -175.8 | 0 | 107.2 | F165 | K163-F165 PolarHBondContact O-N 3.32Š|
| 164 | A | 84.3 | Confident | 81.1 | Confident | 89 Ų | 89 | 155 Ų | 155 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 133.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 165 | F | 80.9 | Confident | 81.3 | Confident | 182 Ų | 182 | 153.6 Ų | 153.6 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 140 | 169.4 | 59.4 | -88.8 | 0 | 0 | 0 | 108.4 | K163 | K163-F165 PolarHBondContact O-N 3.32Š|
| 166 | E | 77.1 | Confident | 81 | Confident | 188 Ų | 188 | 158.8 Ų | 158.8 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 125.5 | 167.9 | -161.8 | 95.5 | -162.9 | 0 | 0 | 106.8 | | |
| 167 | E | 72.5 | Confident | 80.7 | Confident | 175 Ų | 175 | 164 Ų | 164 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 125.2 | 172.8 | -167.9 | 171.8 | -170.7 | 0 | 0 | 108.2 | | |
| 168 | M | 57.5 | Low | 80.2 | Confident | 252 Ų | 252 | 160.3 Ų | 160.3 | 100% | 1.241 | 83% | 0.83 | S | S | * | * | | | trans | -91.4 | 0 | -178.8 | -178 | -177.9 | -78.4 | 0 | 0 | 111.2 | | |