| 1 | M | 42.6 | Very low | 54.5 | Low | 250 Ų | 250 | 164.5 Ų | 164.5 | 100% | 1.232 | 88% | 0.876 | S | S | * | * | | | | 0 | 132.2 | 0 | -79.7 | -165.2 | 169.7 | 0 | 0 | 108.8 | | |
| 2 | T | 42.1 | Very low | 54.3 | Low | 134 Ų | 134 | 164.2 Ų | 164.2 | 82% | 0.822 | 87% | 0.873 | S | S | * | * | | | trans | -71.8 | 143.8 | 179.9 | 44.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 3 | C | 49.3 | Very low | 53.8 | Low | 132 Ų | 132 | 166.3 Ų | 166.3 | 89% | 0.892 | 87% | 0.87 | S | S | * | * | | | trans | -166.6 | 115 | 132.9 | -95.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 4 | K | 52 | Low | 53.7 | Low | 210 Ų | 210 | 162.7 Ų | 162.7 | 91% | 0.913 | 87% | 0.866 | S | S | * | * | | | trans | -83 | 132.3 | 166.8 | -68.6 | -154 | 173.3 | -167.2 | 0 | 108 | | |
| 5 | E | 55.4 | Low | 53.6 | Low | 198 Ų | 198 | 164.2 Ų | 164.2 | 93% | 0.925 | 87% | 0.866 | S | S | * | * | | | trans | -126.2 | 132.8 | 163.4 | -154.8 | 166.4 | -172.8 | 0 | 0 | 109.3 | | |
| 6 | K | 64 | Low | 53.1 | Low | 185 Ų | 185 | 164.6 Ų | 164.6 | 80% | 0.804 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 152.4 | -158.2 | -63.9 | 175.7 | 178 | 171.3 | 0 | 111.6 | S8 | K6-S8 PolarHBondContact O-N 3.46Š|
| 7 | P | 63.3 | Low | 52.8 | Low | 123 Ų | 123 | 165.5 Ų | 165.5 | 80% | 0.799 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 126.4 | 167 | 29.6 | -30.6 | 0 | 0 | 0 | 110.3 | K9 | P7-K9 PolarHBondContact O-N 3.45Š|
| 8 | S | 60.7 | Low | 52.6 | Low | 122 Ų | 122 | 166.4 Ų | 166.4 | 85% | 0.853 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.3 | 174 | -67 | 0 | 0 | 0 | 0 | 111.1 | K6 S10 | K6-S8 PolarHBondContact O-N 3.46Å; S8-S10 PolarHBondContact O-N 3.46Å |
| 9 | K | 53.3 | Low | 52.5 | Low | 191 Ų | 191 | 161.5 Ų | 161.5 | 83% | 0.83 | 84% | 0.843 | S | S | * | * | | | trans | -75.6 | 112.6 | 169 | -62.7 | 178.7 | 178.5 | -177.3 | 0 | 108.5 | P7 | P7-K9 PolarHBondContact O-N 3.45Š|
| 10 | S | 60.1 | Low | 52.6 | Low | 114 Ų | 114 | 160.5 Ų | 160.5 | 80% | 0.797 | 85% | 0.845 | S | S | * | * | | | trans | -93.6 | 126.9 | 158.8 | 59.3 | 0 | 0 | 0 | 0 | 109.1 | S8 | S8-S10 PolarHBondContact O-N 3.46Š|
| 11 | I | 57.3 | Low | 52.4 | Low | 150 Ų | 150 | 158.7 Ų | 158.7 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | | | trans | -103.5 | 70.4 | -171.7 | -59.6 | 164.2 | 0 | 0 | 0 | 107.1 | | |
| 12 | L | 51.4 | Low | 53 | Low | 161 Ų | 161 | 154.9 Ų | 154.9 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | -111.8 | 96.7 | 168.3 | -91.1 | 156.2 | 0 | 0 | 0 | 108.1 | S14 | L12-S14 PolarHBondContact O-N 3.31Š|
| 13 | K | 47.3 | Very low | 53.3 | Low | 192 Ų | 192 | 150.9 Ų | 150.9 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | -68.9 | 107.5 | 157.8 | -66.8 | -173.9 | 176.9 | -176.8 | 0 | 106.3 | | |
| 14 | S | 53.4 | Low | 53.7 | Low | 116 Ų | 116 | 151 Ų | 151 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -82.1 | 117.3 | 157.7 | 52.9 | 0 | 0 | 0 | 0 | 107.1 | L12 | L12-S14 PolarHBondContact O-N 3.31Š|
| 15 | E | 51.6 | Low | 53.9 | Low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -56.8 | 148 | 177.3 | -74.7 | 173.6 | 137.6 | 0 | 0 | 111.8 | E17 | E15-E17 PolarHBondContact O-N 3.05Å; E15-E17 VanDerWaalsContact O-N 3.09Å |
| 16 | Q | 46.1 | Very low | 53.9 | Low | 171 Ų | 171 | 146.6 Ų | 146.6 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -48.8 | 99.5 | 173.6 | -179.7 | -179.7 | 3.7 | 0 | 0 | 112.3 | | |
| 17 | E | 47.5 | Very low | 53.6 | Low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | -100.9 | 117.6 | 155.1 | -164.1 | 167.5 | -173.1 | 0 | 0 | 108.1 | E15 A19 | E15-E17 PolarHBondContact O-N 3.05Å; E15-E17 VanDerWaalsContact O-N 3.09Å; E17-A19 PolarHBondContact O-N 3.02Å |
| 18 | K | 50.1 | Low | 53.3 | Low | 181 Ų | 181 | 147.1 Ų | 147.1 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | trans | -68.7 | 68.9 | 176.2 | -68.1 | 172.3 | 178 | 176.6 | 0 | 109.1 | T20 | K18-T20 PolarHBondContact O-N 3.06Š|
| 19 | A | 49.7 | Very low | 53.3 | Low | 73 Ų | 73 | 145.7 Ų | 145.7 | 60% | 0.603 | 76% | 0.761 | S | S | * | * | | | trans | -77.7 | 108.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | E17 T21 | E17-A19 PolarHBondContact O-N 3.02Å; A19-T21 PolarHBondContact O-N 2.78Å; A19-T21 PolarHBondContact O-OG1 3.09Å |
| 20 | T | 54.1 | Low | 53.5 | Low | 142 Ų | 142 | 145.5 Ų | 145.5 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | | | trans | -50.4 | 85.5 | 159.9 | 11.7 | 0 | 0 | 0 | 0 | 107.3 | K18 L22 | K18-T20 PolarHBondContact O-N 3.06Å; T20-L22 PolarHBondContact O-N 3.13Å |
| 21 | T | 49.8 | Very low | 53.4 | Low | 122 Ų | 122 | 152 Ų | 152 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -62.6 | 110.8 | 166.8 | -54.6 | 0 | 0 | 0 | 0 | 102.7 | A19 G23 | A19-T21 PolarHBondContact O-N 2.78Å; A19-T21 PolarHBondContact O-OG1 3.09Å; T21-G23 PolarHBondContact O-N 2.9Å |
| 22 | L | 54.7 | Low | 53.4 | Low | 170 Ų | 170 | 147.6 Ų | 147.6 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | | | trans | -57.9 | 88.3 | 169 | -152.3 | 86.4 | 0 | 0 | 0 | 104.5 | T20 T24 | T20-L22 PolarHBondContact O-N 3.13Å; L22-T24 PolarHBondContact O-N 3.19Å |
| 23 | G | 48.6 | Very low | 53.9 | Low | 50 Ų | 50 | 142.8 Ų | 142.8 | 52% | 0.515 | 73% | 0.733 | S | S | . | * | | | trans | -55.5 | 118.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 105 | T21 Y25 | T21-G23 PolarHBondContact O-N 2.9Å; G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 2.73Å |
| 24 | T | 57.6 | Low | 54.6 | Low | 134 Ų | 134 | 141.1 Ų | 141.1 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | | | trans | -41.7 | 101.2 | 179.3 | 43.5 | 0 | 0 | 0 | 0 | 107.9 | L22 N26 | L22-T24 PolarHBondContact O-N 3.19Å; T24-N26 PolarHBondContact O-N 3.49Å |
| 25 | Y | 55.2 | Low | 55.3 | Low | 212 Ų | 212 | 142.7 Ų | 142.7 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | | | trans | -73.2 | 88.5 | -178.1 | -131.2 | -92.2 | 0 | 0 | 0 | 104.4 | G23 I27 | G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 2.73Å; Y25-I27 HydrophobicContact CD1-CG2 4.08Å; Y25-I27 PolarHBondContact O-N 3.42Å |
| 26 | N | 55.5 | Low | 56 | Low | 105 Ų | 105 | 138 Ų | 138 | 56% | 0.561 | 70% | 0.699 | S | S | * | * | | | trans | -76.9 | 82.7 | 177.1 | -151.1 | -14.1 | 0 | 0 | 0 | 105.9 | T24 Y28 T29 | T24-N26 PolarHBondContact O-N 3.49Å; N26-Y28 PolarHBondContact O-N 2.85Å; N26-T29 PolarHBondContact ND2-OG1 3.46Å; N26-T29 PolarHBondContact O-N 3.43Å; N26-T29 VanDerWaalsContact O-N 3.13Å; N26-T29 PolarHBondContact OD1-OG1 3.36Å; N26-T29 VanDerWaalsContact OD1-OG1 3.06Å |
| 27 | I | 59 | Low | 57.1 | Low | 119 Ų | 119 | 133.5 Ų | 133.5 | 61% | 0.61 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -9.5 | -174.6 | 45.1 | 165.7 | 0 | 0 | 0 | 113.5 | Y25 | Y25-I27 HydrophobicContact CD1-CG2 4.08Å; Y25-I27 PolarHBondContact O-N 3.42Å |
| 28 | Y | 57.2 | Low | 58.4 | Low | 200 Ų | 200 | 128.3 Ų | 128.3 | 78% | 0.784 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -5.4 | -178.2 | -60.8 | -67.3 | 0 | 0 | 0 | 115.4 | N26 | N26-Y28 PolarHBondContact O-N 2.85Š|
| 29 | T | 58.9 | Low | 59.6 | Low | 91 Ų | 91 | 124.4 Ų | 124.4 | 56% | 0.558 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -13.5 | -160.4 | -49.1 | 0 | 0 | 0 | 0 | 116.5 | N26 | N26-T29 PolarHBondContact ND2-OG1 3.46Å; N26-T29 PolarHBondContact O-N 3.43Å; N26-T29 VanDerWaalsContact O-N 3.13Å; N26-T29 PolarHBondContact OD1-OG1 3.36Å; N26-T29 VanDerWaalsContact OD1-OG1 3.06Å |
| 30 | K | 58.2 | Low | 60.7 | Low | 187 Ų | 187 | 125.7 Ų | 125.7 | 81% | 0.813 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -131.4 | 123 | 168.7 | -68.4 | -168.9 | 178.3 | -176 | 0 | 106.4 | A32 | K30-A32 VanDerWaalsContact C-N 3.3Å; K30-A32 PolarHBondContact O-N 3.42Å |
| 31 | R | 57.5 | Low | 61.7 | Low | 250 Ų | 250 | 124.4 Ų | 124.4 | 94% | 0.943 | 63% | 0.628 | S | S | * | * | | | trans | -39.9 | 106 | 161.9 | -75.3 | 176.4 | 162.5 | 165.5 | -5.9 | 105.9 | S33 | R31-S33 PolarHBondContact O-N 2.68Š|
| 32 | A | 57.9 | Low | 63 | Low | 59 Ų | 59 | 123.1 Ų | 123.1 | 49% | 0.488 | 61% | 0.614 | S | S | . | * | | | trans | -49.5 | 122.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | K30 F34 D36 | K30-A32 VanDerWaalsContact C-N 3.3Å; K30-A32 PolarHBondContact O-N 3.42Å; A32-F34 PolarHBondContact O-N 2.99Å; A32-D36 HydrophobicContact CB-CB 4.31Å |
| 33 | S | 62.1 | Low | 64 | Low | 60 Ų | 60 | 120.8 Ų | 120.8 | 42% | 0.42 | 60% | 0.596 | S | S | . | * | | | trans | -59.5 | 143.6 | 177.3 | -178.2 | 0 | 0 | 0 | 0 | 106 | R31 K35 D36 | R31-S33 PolarHBondContact O-N 2.68Å; S33-K35 PolarHBondContact O-N 2.73Å; S33-D36 PolarHBondContact N-OD2 2.78Å; S33-D36 WeakPolarHBondContact O-CA 3.47Å; S33-D36 WeakPolarHBondContact O-CB 3.38Å; S33-D36 PolarHBondContact O-N 2.86Å |
| 34 | F | 61.9 | Low | 65.2 | Low | 156 Ų | 156 | 122.8 Ų | 122.8 | 68% | 0.684 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -46.3 | -25.6 | 171.3 | 152.7 | -95.1 | 0 | 0 | 0 | 113.1 | A32 D37 V38 | A32-F34 PolarHBondContact O-N 2.99Å; F34-D37 PolarHBondContact O-N 2.87Å; F34-V38 HydrophobicContact CE2-CG2 4.17Å; F34-V38 HydrophobicContact CZ-CG2 4.05Å; F34-V38 PolarHBondContact O-N 2.67Å |
| 35 | K | 67.9 | Low | 65.9 | Low | 149 Ų | 149 | 122.8 Ų | 122.8 | 65% | 0.648 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.7 | -34.4 | 173.4 | -67 | -173.7 | 175.5 | -174.7 | 0 | 114 | S33 D37 V38 I39 | S33-K35 PolarHBondContact O-N 2.73Å; K35-D37 VanDerWaalsContact C-N 3.32Å; K35-V38 PolarHBondContact O-N 3Å; K35-I39 WeakPolarHBondContact O-CG1 3.36Å; K35-I39 PolarHBondContact O-N 2.79Å |
| 36 | D | 67.1 | Low | 66.7 | Low | 87 Ų | 87 | 117.9 Ų | 117.9 | 47% | 0.465 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.6 | -33.8 | 178 | -58.2 | -35.2 | 0 | 0 | 0 | 110.5 | A32 S33 I39 L40 | A32-D36 HydrophobicContact CB-CB 4.31Å; S33-D36 PolarHBondContact N-OD2 2.78Å; S33-D36 WeakPolarHBondContact O-CA 3.47Å; S33-D36 WeakPolarHBondContact O-CB 3.38Å; S33-D36 PolarHBondContact O-N 2.86Å; D36-I39 PolarHBondContact O-N 3.42Å; D36-L40 VanDerWaalsContact O-CB 3.29Å; D36-L40 WeakPolarHBondContact O-CB 3.46Å; D36-L40 PolarHBondContact O-N 3.32Å |
| 37 | D | 68.8 | Low | 67.3 | Low | 76 Ų | 76 | 120.3 Ų | 120.3 | 41% | 0.406 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.1 | -39.9 | 174.3 | -76 | -13.2 | 0 | 0 | 0 | 112.1 | F34 K35 L40 Q41 | F34-D37 PolarHBondContact O-N 2.87Å; K35-D37 VanDerWaalsContact C-N 3.32Å; D37-L40 PolarHBondContact O-N 2.86Å; D37-Q41 WeakPolarHBondContact O-CB 3.48Å; D37-Q41 VanDerWaalsContact O-CG 3.3Å; D37-Q41 WeakPolarHBondContact O-CG 3.29Å; D37-Q41 PolarHBondContact O-N 3.14Å |
| 38 | V | 74.9 | Confident | 67.2 | Low | 72 Ų | 72 | 118.7 Ų | 118.7 | 44% | 0.436 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -40.4 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | F34 K35 L40 Q41 Q42 | F34-V38 HydrophobicContact CE2-CG2 4.17Å; F34-V38 HydrophobicContact CZ-CG2 4.05Å; F34-V38 PolarHBondContact O-N 2.67Å; K35-V38 PolarHBondContact O-N 3Å; V38-L40 VanDerWaalsContact C-N 3.35Å; V38-Q41 PolarHBondContact O-N 3.41Å; V38-Q42 WeakPolarHBondContact O-CB 3.3Å; V38-Q42 PolarHBondContact O-N 3.11Å |
| 39 | I | 75.1 | Confident | 67.3 | Low | 99 Ų | 99 | 117.1 Ų | 117.1 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.7 | -39.7 | 175.7 | -65.2 | 167.6 | 0 | 0 | 0 | 110.5 | K35 D36 Q42 F43 | K35-I39 WeakPolarHBondContact O-CG1 3.36Å; K35-I39 PolarHBondContact O-N 2.79Å; D36-I39 PolarHBondContact O-N 3.42Å; I39-Q42 PolarHBondContact O-N 2.89Å; I39-F43 HydrophobicContact CG2-CD2 4.19Å; I39-F43 WeakPolarHBondContact O-CB 3.36Å; I39-F43 PolarHBondContact O-N 2.81Å |
| 40 | L | 73.5 | Confident | 67.1 | Low | 100 Ų | 100 | 117.9 Ų | 117.9 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.1 | -40.6 | 176.8 | -168.6 | 68.7 | 0 | 0 | 0 | 111.1 | D36 D37 V38 F43 I44 | D36-L40 VanDerWaalsContact O-CB 3.29Å; D36-L40 WeakPolarHBondContact O-CB 3.46Å; D36-L40 PolarHBondContact O-N 3.32Å; D37-L40 PolarHBondContact O-N 2.86Å; V38-L40 VanDerWaalsContact C-N 3.35Å; L40-F43 PolarHBondContact O-N 2.94Å; L40-I44 HydrophobicContact CG-CD1 4.1Å; L40-I44 WeakPolarHBondContact O-CB 3.48Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.23Å; L40-I44 PolarHBondContact O-N 3.17Å |
| 41 | Q | 75.2 | Confident | 67 | Low | 115 Ų | 115 | 113.1 Ų | 113.1 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63 | -41.2 | 173.2 | -77.6 | 176.2 | 20.3 | 0 | 0 | 111.6 | D37 V38 I44 Q45 | D37-Q41 WeakPolarHBondContact O-CB 3.48Å; D37-Q41 VanDerWaalsContact O-CG 3.3Å; D37-Q41 WeakPolarHBondContact O-CG 3.29Å; D37-Q41 PolarHBondContact O-N 3.14Å; V38-Q41 PolarHBondContact O-N 3.41Å; Q41-I44 PolarHBondContact O-N 3.19Å; Q41-Q45 WeakPolarHBondContact O-CB 3.28Å; Q41-Q45 VanDerWaalsContact O-CG 3.28Å; Q41-Q45 WeakPolarHBondContact O-CG 3.36Å; Q41-Q45 PolarHBondContact O-N 3.36Å |
| 42 | Q | 75.8 | Confident | 67 | Low | 94 Ų | 94 | 106.7 Ų | 106.7 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.8 | -41.9 | 173.5 | -169.8 | 67.8 | 57.7 | 0 | 0 | 111.2 | V38 I39 I44 Q45 D46 | V38-Q42 WeakPolarHBondContact O-CB 3.3Å; V38-Q42 PolarHBondContact O-N 3.11Å; I39-Q42 PolarHBondContact O-N 2.89Å; Q42-I44 PolarHBondContact O-N 2.79Å; Q42-Q45 PolarHBondContact O-N 3.34Å; Q42-D46 PolarHBondContact NE2-OD1 2.85Å; Q42-D46 VanDerWaalsContact O-CB 3.27Å; Q42-D46 WeakPolarHBondContact O-CB 3.11Å; Q42-D46 PolarHBondContact O-N 2.79Å |
| 43 | F | 75.3 | Confident | 66.8 | Low | 121 Ų | 121 | 109 Ų | 109 | 53% | 0.531 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.1 | -40.4 | 176.1 | -110.3 | -81.4 | 0 | 0 | 0 | 112.5 | I39 L40 K47 | I39-F43 HydrophobicContact CG2-CD2 4.19Å; I39-F43 WeakPolarHBondContact O-CB 3.36Å; I39-F43 PolarHBondContact O-N 2.81Å; L40-F43 PolarHBondContact O-N 2.94Å; F43-K47 HydrophobicContact CD1-CG 4.19Å; F43-K47 WeakPolarHBondContact O-CB 3.16Å; F43-K47 WeakPolarHBondContact O-CG 3.04Å; F43-K47 PolarHBondContact O-N 2.8Å |
| 44 | I | 74.7 | Confident | 66.4 | Low | 92 Ų | 92 | 111.5 Ų | 111.5 | 47% | 0.472 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.6 | -44.5 | 175.8 | -67.9 | 165.6 | 0 | 0 | 0 | 109.2 | L40 Q41 Q42 D46 K47 C48 | L40-I44 HydrophobicContact CG-CD1 4.1Å; L40-I44 WeakPolarHBondContact O-CB 3.48Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.23Å; L40-I44 PolarHBondContact O-N 3.17Å; Q41-I44 PolarHBondContact O-N 3.19Å; Q42-I44 PolarHBondContact O-N 2.79Å; I44-D46 PolarHBondContact O-N 3.26Å; I44-K47 PolarHBondContact O-N 3.32Å; I44-C48 WeakPolarHBondContact O-CA 3.24Å; I44-C48 WeakPolarHBondContact O-CB 3.27Å; I44-C48 PolarHBondContact O-N 3.49Å; I44-C48 PolarHBondContact O-SG 2.84Å |
| 45 | Q | 71.7 | Confident | 66.4 | Low | 134 Ų | 134 | 109.2 Ų | 109.2 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64 | -40.8 | 177.1 | -75.1 | 176 | -1 | 0 | 0 | 112.8 | Q41 Q42 K47 | Q41-Q45 WeakPolarHBondContact O-CB 3.28Å; Q41-Q45 VanDerWaalsContact O-CG 3.28Å; Q41-Q45 WeakPolarHBondContact O-CG 3.36Å; Q41-Q45 PolarHBondContact O-N 3.36Å; Q42-Q45 PolarHBondContact O-N 3.34Å; Q45-K47 VanDerWaalsContact C-N 3.33Å; Q45-K47 PolarHBondContact O-N 3.37Å |
| 46 | D | 71.9 | Confident | 66.1 | Low | 110 Ų | 110 | 109 Ų | 109 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76 | -20.7 | -179.6 | -68.2 | -8.9 | 0 | 0 | 0 | 112.8 | Q42 I44 | Q42-D46 PolarHBondContact NE2-OD1 2.85Å; Q42-D46 VanDerWaalsContact O-CB 3.27Å; Q42-D46 WeakPolarHBondContact O-CB 3.11Å; Q42-D46 PolarHBondContact O-N 2.79Å; I44-D46 PolarHBondContact O-N 3.26Å |
| 47 | K | 69.1 | Low | 65.9 | Low | 155 Ų | 155 | 112.1 Ų | 112.1 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -105.1 | -17.7 | 179.8 | -63 | -69.3 | -178.7 | -174.5 | 0 | 113.7 | F43 I44 Q45 E49 | F43-K47 HydrophobicContact CD1-CG 4.19Å; F43-K47 WeakPolarHBondContact O-CB 3.16Å; F43-K47 WeakPolarHBondContact O-CG 3.04Å; F43-K47 PolarHBondContact O-N 2.8Å; I44-K47 PolarHBondContact O-N 3.32Å; Q45-K47 VanDerWaalsContact C-N 3.33Å; Q45-K47 PolarHBondContact O-N 3.37Å; K47-E49 PolarHBondContact O-N 2.84Å; K47-E49 VanDerWaalsContact O-N 3.07Å |
| 48 | C | 56.2 | Low | 65.6 | Low | 86 Ų | 86 | 111.8 Ų | 111.8 | 58% | 0.581 | 62% | 0.617 | S | S | * | * | | | trans | -83.2 | 51 | 172.6 | -73.9 | 0 | 0 | 0 | 0 | 110.7 | I44 P50 | I44-C48 WeakPolarHBondContact O-CA 3.24Å; I44-C48 WeakPolarHBondContact O-CB 3.27Å; I44-C48 PolarHBondContact O-N 3.49Å; I44-C48 PolarHBondContact O-SG 2.84Å; C48-P50 WeakPolarHBondContact O-CD 3.46Å |
| 49 | E | 60.5 | Low | 65 | Low | 166 Ų | 166 | 117.1 Ų | 117.1 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | | | trans | -69.1 | 119.4 | 144.3 | -160.5 | 173 | -149.6 | 0 | 0 | 104.3 | K47 A51 | K47-E49 PolarHBondContact O-N 2.84Å; K47-E49 VanDerWaalsContact O-N 3.07Å; E49-A51 PolarHBondContact O-N 2.96Å |
| 50 | P | 54.2 | Low | 64.7 | Low | 107 Ų | 107 | 118.9 Ų | 118.9 | 70% | 0.695 | 64% | 0.644 | S | S | * | * | | | trans | -66.5 | 90 | 171.1 | 28.5 | -30.9 | 0 | 0 | 0 | 105.5 | C48 T52 | C48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-T52 PolarHBondContact O-N 3.1Å |
| 51 | A | 55.6 | Low | 64.5 | Low | 88 Ų | 88 | 119.8 Ų | 119.8 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | | | trans | -64.2 | 76.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 104.8 | E49 P53 | E49-A51 PolarHBondContact O-N 2.96Å; A51-P53 WeakPolarHBondContact O-CD 3.29Å |
| 52 | T | 57.2 | Low | 64.1 | Low | 114 Ų | 114 | 122 Ų | 122 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | | | trans | -47.2 | 118.5 | 152 | 32.7 | 0 | 0 | 0 | 0 | 103.4 | P50 C54 | P50-T52 PolarHBondContact O-N 3.1Å; T52-C54 PolarHBondContact O-N 2.95Å |
| 53 | P | 54.5 | Low | 63.7 | Low | 107 Ų | 107 | 120.9 Ų | 120.9 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | | | trans | -51.4 | 119.4 | 168.7 | 22.1 | -30.1 | 0 | 0 | 0 | 103.9 | A51 V55 | A51-P53 WeakPolarHBondContact O-CD 3.29Å; P53-V55 PolarHBondContact O-N 3.15Å |
| 54 | C | 53.2 | Low | 63.3 | Low | 113 Ų | 113 | 120.3 Ų | 120.3 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | | | trans | -59.9 | 94.5 | 172.3 | -178.2 | 0 | 0 | 0 | 0 | 103.9 | T52 I56 | T52-C54 PolarHBondContact O-N 2.95Å; C54-I56 PolarHBondContact O-N 3.49Å |
| 55 | V | 61.3 | Low | 62.8 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 66% | 0.661 | 69% | 0.692 | S | S | * | * | | | trans | -68.6 | 95.7 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 102.2 | P53 E57 | P53-V55 PolarHBondContact O-N 3.15Å; V55-E57 HydrophobicContact CG1-CG 4.15Å; V55-E57 PolarHBondContact O-N 3.36Å |
| 56 | I | 63.2 | Low | 62.3 | Low | 145 Ų | 145 | 121.5 Ų | 121.5 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | | | trans | -63 | 95.3 | 161.8 | -58 | 173.4 | 0 | 0 | 0 | 103 | C54 A58 | C54-I56 PolarHBondContact O-N 3.49Å; I56-A58 PolarHBondContact O-N 3.49Å |
| 57 | E | 61.9 | Low | 61.6 | Low | 152 Ų | 152 | 121.3 Ų | 121.3 | 71% | 0.71 | 70% | 0.704 | S | S | * | * | | | trans | -63.7 | 83.2 | 164.4 | -74.4 | -169.9 | 177.4 | 0 | 0 | 106 | V55 K59 | V55-E57 HydrophobicContact CG1-CG 4.15Å; V55-E57 PolarHBondContact O-N 3.36Å; E57-K59 PolarHBondContact O-N 3Å |
| 58 | A | 62.9 | Low | 61 | Low | 69 Ų | 69 | 122.1 Ų | 122.1 | 57% | 0.57 | 71% | 0.71 | S | S | * | * | | | trans | -61.1 | 95.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 104.7 | I56 L60 | I56-A58 PolarHBondContact O-N 3.49Å; A58-L60 HydrophobicContact CB-CG 4.31Å; A58-L60 PolarHBondContact O-N 2.77Å |
| 59 | K | 62.7 | Low | 61.3 | Low | 184 Ų | 184 | 126.5 Ų | 126.5 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | | | trans | -62.5 | 73.9 | 159.3 | -73.9 | 179.9 | 178.5 | 177 | 0 | 106.4 | E57 P61 | E57-K59 PolarHBondContact O-N 3Å; K59-P61 WeakPolarHBondContact O-CD 3.27Å |
| 60 | L | 68.4 | Low | 61.8 | Low | 135 Ų | 135 | 126.8 Ų | 126.8 | 71% | 0.707 | 72% | 0.724 | S | S | * | * | | | trans | -59.2 | 124.3 | 162.9 | -67.4 | 176.6 | 0 | 0 | 0 | 104.5 | A58 I62 | A58-L60 HydrophobicContact CB-CG 4.31Å; A58-L60 PolarHBondContact O-N 2.77Å; L60-I62 VanDerWaalsContact C-N 3.33Å; L60-I62 PolarHBondContact O-N 3.19Å |
| 61 | P | 68.2 | Low | 62.7 | Low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | | | trans | -56.3 | 109.3 | 167.6 | 23.2 | -29.5 | 0 | 0 | 0 | 105.5 | K59 A63 | K59-P61 WeakPolarHBondContact O-CD 3.27Å; P61-A63 VanDerWaalsContact C-N 3.32Å; P61-A63 PolarHBondContact O-N 3.44Å |
| 62 | I | 67.6 | Low | 63.9 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | | | trans | -58.5 | 108.8 | 167.8 | -60.7 | 170.5 | 0 | 0 | 0 | 102.6 | L60 | L60-I62 VanDerWaalsContact C-N 3.33Å; L60-I62 PolarHBondContact O-N 3.19Å |
| 63 | A | 68.2 | Low | 65.1 | Low | 72 Ų | 72 | 125.1 Ų | 125.1 | 60% | 0.595 | 70% | 0.701 | S | S | * | * | | | trans | -51.9 | 135.7 | 173 | 0 | 0 | 0 | 0 | 0 | 106.3 | P61 D65 | P61-A63 VanDerWaalsContact C-N 3.32Å; P61-A63 PolarHBondContact O-N 3.44Å; A63-D65 PolarHBondContact O-N 3.04Å |
| 64 | P | 65.8 | Low | 66.5 | Low | 109 Ų | 109 | 126.3 Ų | 126.3 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | | | trans | -51.4 | 124.3 | 172.9 | 23.1 | -31.5 | 0 | 0 | 0 | 106 | V66 | P64-V66 HydrophobicContact CG-CG2 4.42Å; P64-V66 WeakPolarHBondContact O-CG2 3.24Å; P64-V66 PolarHBondContact O-N 3.33Å |
| 65 | D | 65.6 | Low | 68 | Low | 115 Ų | 115 | 124.9 Ų | 124.9 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | | | trans | -67.7 | 86.5 | -178.9 | -152.7 | -11.8 | 0 | 0 | 0 | 105.9 | A63 T67 E68 | A63-D65 PolarHBondContact O-N 3.04Å; D65-T67 PolarHBondContact O-N 3.27Å; D65-T67 PolarHBondContact OD1-OG1 2.85Å; D65-E68 PolarHBondContact O-N 3.47Å |
| 66 | V | 60.2 | Low | 69.1 | Low | 135 Ų | 135 | 124.1 Ų | 124.1 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -71.8 | 7 | -177.7 | -148.5 | 0 | 0 | 0 | 0 | 110.9 | P64 | P64-V66 HydrophobicContact CG-CG2 4.42Å; P64-V66 WeakPolarHBondContact O-CG2 3.24Å; P64-V66 PolarHBondContact O-N 3.33Å |
| 67 | T | 56.2 | Low | 70.2 | Confident | 107 Ų | 107 | 120.7 Ų | 120.7 | 66% | 0.656 | 66% | 0.66 | S | S | * | * | | | trans | -111.1 | 49.6 | 170.6 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | D65 E69 | D65-T67 PolarHBondContact O-N 3.27Å; D65-T67 PolarHBondContact OD1-OG1 2.85Å; T67-E69 PolarHBondContact O-N 3.29Å |
| 68 | E | 57.3 | Low | 71.5 | Confident | 171 Ų | 171 | 118.5 Ų | 118.5 | 80% | 0.799 | 65% | 0.645 | S | S | * | * | | | trans | -63.2 | 77.8 | 154.3 | -66.6 | -161 | -162.5 | 0 | 0 | 107.7 | D65 E70 | D65-E68 PolarHBondContact O-N 3.47Å; E68-E70 PolarHBondContact O-N 2.71Å |
| 69 | E | 63.3 | Low | 72.7 | Confident | 178 Ų | 178 | 123.8 Ų | 123.8 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | | | trans | -64.6 | 92.5 | 165.8 | -171.1 | 174.3 | -171.9 | 0 | 0 | 105.5 | T67 L71 | T67-E69 PolarHBondContact O-N 3.29Å; E69-L71 PolarHBondContact O-N 3.07Å |
| 70 | E | 69.4 | Low | 74 | Confident | 172 Ų | 172 | 120.4 Ų | 120.4 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 117.2 | 175.3 | -72.2 | -174.6 | 168 | 0 | 0 | 107.9 | E68 T72 | E68-E70 PolarHBondContact O-N 2.71Å; E70-T72 PolarHBondContact O-N 2.78Å |
| 71 | L | 73.1 | Confident | 75 | Confident | 83 Ų | 83 | 118.4 Ų | 118.4 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 131.9 | 178 | -65.5 | 170.4 | 0 | 0 | 0 | 108.4 | E69 E75 I76 | E69-L71 PolarHBondContact O-N 3.07Å; L71-E75 HydrophobicContact CB-CB 4.2Å; L71-E75 HydrophobicContact CB-CG 4.19Å; L71-E75 HydrophobicContact CD2-CG 3.74Å; L71-E75 HydrophobicContact CG-CG 4.41Å; L71-I76 HydrophobicContact CB-CD1 4.29Å; L71-I76 HydrophobicContact CB-CG1 3.68Å; L71-I76 WeakPolarHBondContact O-CD1 3.24Å |
| 72 | T | 82.1 | Confident | 76 | Confident | 78 Ų | 78 | 119.4 Ų | 119.4 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 149.3 | 176.4 | 65 | 0 | 0 | 0 | 0 | 110.1 | E70 E74 E75 I76 | E70-T72 PolarHBondContact O-N 2.78Å; T72-E74 PolarHBondContact O-N 3.44Å; T72-E75 WeakPolarHBondContact O-CA 3.36Å; T72-E75 VanDerWaalsContact O-CB 3.3Å; T72-E75 WeakPolarHBondContact O-CB 3.06Å; T72-E75 PolarHBondContact O-N 3.21Å; T72-E75 WeakPolarHBondContact OG1-CB 3.34Å; T72-E75 PolarHBondContact OG1-N 2.94Å; T72-I76 PolarHBondContact O-N 3.13Å |
| 73 | P | 82.6 | Confident | 77.1 | Confident | 113 Ų | 113 | 119 Ų | 119 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -53.4 | -30.7 | 179.7 | -28.3 | 34.7 | 0 | 0 | 0 | 113.8 | S77 | P73-S77 PolarHBondContact O-N 2.98Å; P73-S77 VanDerWaalsContact O-N 3.09Å |
| 74 | E | 84.2 | Confident | 78 | Confident | 133 Ų | 133 | 121.2 Ų | 121.2 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.4 | -43.1 | 175.6 | -162 | -171.3 | 146 | 0 | 0 | 112.3 | T72 S77 R78 | T72-E74 PolarHBondContact O-N 3.44Å; E74-S77 WeakPolarHBondContact O-CB 3.45Å; E74-S77 PolarHBondContact O-N 3.39Å; E74-R78 VanDerWaalsContact CD-NH1 3.34Å; E74-R78 WeakPolarHBondContact O-CG 3.33Å; E74-R78 PolarHBondContact O-N 2.79Å; E74-R78 IonicContact OE1-CZ 3.86Å; E74-R78 IonicContact OE1-NH1 3.99Å; E74-R78 PolarHBondContact OE1-NH1 3.05Å |
| 75 | E | 84.4 | Confident | 78.9 | Confident | 82 Ų | 82 | 121.3 Ų | 121.3 | 38% | 0.383 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.9 | -41.8 | 176.1 | -165.8 | 80.2 | -133.4 | 0 | 0 | 111.4 | L71 T72 S77 R78 R79 | L71-E75 HydrophobicContact CB-CB 4.2Å; L71-E75 HydrophobicContact CB-CG 4.19Å; L71-E75 HydrophobicContact CD2-CG 3.74Å; L71-E75 HydrophobicContact CG-CG 4.41Å; T72-E75 WeakPolarHBondContact O-CA 3.36Å; T72-E75 VanDerWaalsContact O-CB 3.3Å; T72-E75 WeakPolarHBondContact O-CB 3.06Å; T72-E75 PolarHBondContact O-N 3.21Å; T72-E75 WeakPolarHBondContact OG1-CB 3.34Å; T72-E75 PolarHBondContact OG1-N 2.94Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.29Å; E75-R78 PolarHBondContact O-N 3.08Å; E75-R78 IonicContact OE1-NH2 2.75Å; E75-R78 IonicContact OE2-CZ 2.64Å; E75-R78 IonicContact OE2-NH2 3.8Å; E75-R78 PolarHBondContact OE2-NH2 3.04Å; E75-R79 WeakPolarHBondContact O-CB 3.44Å; E75-R79 PolarHBondContact O-N 3.35Å |
| 76 | I | 83.9 | Confident | 79.7 | Confident | 93 Ų | 93 | 122.9 Ų | 122.9 | 48% | 0.477 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.2 | -43 | 175 | -63.3 | 173.6 | 0 | 0 | 0 | 110.2 | L71 T72 R79 K80 | L71-I76 HydrophobicContact CB-CD1 4.29Å; L71-I76 HydrophobicContact CB-CG1 3.68Å; L71-I76 WeakPolarHBondContact O-CD1 3.24Å; T72-I76 PolarHBondContact O-N 3.13Å; I76-R79 PolarHBondContact O-N 3.35Å; I76-K80 WeakPolarHBondContact O-CB 3.4Å; I76-K80 PolarHBondContact O-N 3.42Å |
| 77 | S | 85.3 | Confident | 80.6 | Confident | 74 Ų | 74 | 121.7 Ų | 121.7 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.9 | -48.8 | 176.7 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | P73 E74 E75 R79 K80 E81 | P73-S77 PolarHBondContact O-N 2.98Å; P73-S77 VanDerWaalsContact O-N 3.09Å; E74-S77 WeakPolarHBondContact O-CB 3.45Å; E74-S77 PolarHBondContact O-N 3.39Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.29Å; S77-R79 VanDerWaalsContact C-N 3.3Å; S77-R79 PolarHBondContact O-N 2.85Å; S77-K80 PolarHBondContact O-N 2.86Å; S77-K80 VanDerWaalsContact O-N 3.16Å; S77-E81 PolarHBondContact O-N 3.23Å |
| 78 | R | 89.3 | Confident | 81.4 | Confident | 106 Ų | 106 | 120.5 Ų | 120.5 | 40% | 0.4 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -56.6 | -43.3 | 175.1 | -74.3 | -167.2 | -70.2 | -98 | 4.4 | 112.1 | E74 E75 E81 F82 | E74-R78 VanDerWaalsContact CD-NH1 3.34Å; E74-R78 WeakPolarHBondContact O-CG 3.33Å; E74-R78 PolarHBondContact O-N 2.79Å; E74-R78 IonicContact OE1-CZ 3.86Å; E74-R78 IonicContact OE1-NH1 3.99Å; E74-R78 PolarHBondContact OE1-NH1 3.05Å; E75-R78 PolarHBondContact O-N 3.08Å; E75-R78 IonicContact OE1-NH2 2.75Å; E75-R78 IonicContact OE2-CZ 2.64Å; E75-R78 IonicContact OE2-NH2 3.8Å; E75-R78 PolarHBondContact OE2-NH2 3.04Å; R78-E81 PolarHBondContact O-N 2.75Å; R78-F82 WeakPolarHBondContact O-CB 3.1Å; R78-F82 PolarHBondContact O-N 2.72Å |
| 79 | R | 88.3 | Confident | 82 | Confident | 180 Ų | 180 | 117.1 Ų | 117.1 | 68% | 0.679 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.1 | -37.3 | 179.6 | -170.4 | 168.7 | -177.5 | 132.1 | -2.8 | 112 | E75 I76 S77 K83 | E75-R79 WeakPolarHBondContact O-CB 3.44Å; E75-R79 PolarHBondContact O-N 3.35Å; I76-R79 PolarHBondContact O-N 3.35Å; S77-R79 VanDerWaalsContact C-N 3.3Å; S77-R79 PolarHBondContact O-N 2.85Å; R79-K83 WeakPolarHBondContact O-CB 3.31Å; R79-K83 PolarHBondContact O-N 2.67Å |
| 80 | K | 90.5 | Very high | 82.1 | Confident | 113 Ų | 113 | 112.7 Ų | 112.7 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 175 | -171 | 179.8 | 178.7 | -175.4 | 0 | 111.3 | I76 S77 F82 K83 Q84 | I76-K80 WeakPolarHBondContact O-CB 3.4Å; I76-K80 PolarHBondContact O-N 3.42Å; S77-K80 PolarHBondContact O-N 2.86Å; S77-K80 VanDerWaalsContact O-N 3.16Å; K80-F82 VanDerWaalsContact C-N 3.34Å; K80-F82 PolarHBondContact O-N 3.04Å; K80-K83 PolarHBondContact O-N 3.13Å; K80-Q84 WeakPolarHBondContact O-CG 3.23Å; K80-Q84 PolarHBondContact O-N 3.4Å |
| 81 | E | 89.9 | Confident | 81.8 | Confident | 92 Ų | 92 | 109.6 Ų | 109.6 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 175.3 | -170.6 | -168.5 | 162.3 | 0 | 0 | 111.1 | S77 R78 K83 Q84 K85 | S77-E81 PolarHBondContact O-N 3.23Å; R78-E81 PolarHBondContact O-N 2.75Å; E81-K83 PolarHBondContact O-N 3.18Å; E81-Q84 PolarHBondContact O-N 3.15Å; E81-K85 WeakPolarHBondContact O-CG 3.11Å; E81-K85 PolarHBondContact O-N 3.47Å; E81-K85 WeakPolarHBondContact OE1-CE 3.04Å; E81-K85 IonicContact OE1-NZ 3.71Å; E81-K85 PolarHBondContact OE1-NZ 2.82Å |
| 82 | F | 89.6 | Confident | 81.2 | Confident | 141 Ų | 141 | 112.4 Ų | 112.4 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 176.2 | -177.8 | -95.9 | 0 | 0 | 0 | 112.1 | R78 K80 Q84 K85 R86 | R78-F82 WeakPolarHBondContact O-CB 3.1Å; R78-F82 PolarHBondContact O-N 2.72Å; K80-F82 VanDerWaalsContact C-N 3.34Å; K80-F82 PolarHBondContact O-N 3.04Å; F82-Q84 VanDerWaalsContact C-N 3.32Å; F82-Q84 PolarHBondContact O-N 3.29Å; F82-K85 PolarHBondContact O-N 2.86Å; F82-R86 WeakPolarHBondContact O-CB 3.37Å; F82-R86 PolarHBondContact O-N 3.17Å |
| 83 | K | 90 | Very high | 80.1 | Confident | 151 Ų | 151 | 110.6 Ų | 110.6 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -39 | 177.2 | -168 | 178.6 | -179.7 | -175.2 | 0 | 111.4 | R79 K80 E81 H87 | R79-K83 WeakPolarHBondContact O-CB 3.31Å; R79-K83 PolarHBondContact O-N 2.67Å; K80-K83 PolarHBondContact O-N 3.13Å; E81-K83 PolarHBondContact O-N 3.18Å; K83-H87 WeakPolarHBondContact O-CB 3.24Å; K83-H87 PolarHBondContact O-N 2.77Å |
| 84 | Q | 86.6 | Confident | 78.8 | Confident | 119 Ų | 119 | 108.3 Ų | 108.3 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -45.3 | 174.5 | -75.4 | 178.1 | -18.5 | 0 | 0 | 112.1 | K80 E81 F82 R86 H87 L88 | K80-Q84 WeakPolarHBondContact O-CG 3.23Å; K80-Q84 PolarHBondContact O-N 3.4Å; E81-Q84 PolarHBondContact O-N 3.15Å; F82-Q84 VanDerWaalsContact C-N 3.32Å; F82-Q84 PolarHBondContact O-N 3.29Å; Q84-R86 VanDerWaalsContact C-N 3.33Å; Q84-R86 PolarHBondContact O-N 3.17Å; Q84-H87 PolarHBondContact O-N 3.47Å; Q84-L88 PolarHBondContact O-N 2.76Å |
| 85 | K | 84.6 | Confident | 77.5 | Confident | 112 Ų | 112 | 108.4 Ų | 108.4 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 174.7 | -75.6 | 179.4 | -177.5 | 169.8 | 0 | 111.5 | E81 F82 L88 V89 | E81-K85 WeakPolarHBondContact O-CG 3.11Å; E81-K85 PolarHBondContact O-N 3.47Å; E81-K85 WeakPolarHBondContact OE1-CE 3.04Å; E81-K85 IonicContact OE1-NZ 3.71Å; E81-K85 PolarHBondContact OE1-NZ 2.82Å; F82-K85 PolarHBondContact O-N 2.86Å; K85-L88 PolarHBondContact O-N 3.45Å; K85-V89 WeakPolarHBondContact O-CG2 3.28Å; K85-V89 PolarHBondContact O-N 2.74Å |
| 86 | R | 83.4 | Confident | 76.5 | Confident | 147 Ų | 147 | 107.2 Ų | 107.2 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -45.7 | 176.4 | -160.7 | -175.1 | 82.1 | -179.9 | 4.2 | 111 | F82 Q84 L88 V89 D90 | F82-R86 WeakPolarHBondContact O-CB 3.37Å; F82-R86 PolarHBondContact O-N 3.17Å; Q84-R86 VanDerWaalsContact C-N 3.33Å; Q84-R86 PolarHBondContact O-N 3.17Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.12Å; R86-V89 CarbonylContact O-C 3.56Å; R86-V89 PolarHBondContact O-N 3.27Å; R86-D90 IonicContact NE-OD2 2.7Å; R86-D90 WeakPolarHBondContact O-CB 3.38Å; R86-D90 PolarHBondContact O-N 3.31Å |
| 87 | H | 79 | Confident | 75.7 | Confident | 111 Ų | 111 | 110 Ų | 110 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62 | -37.3 | 176.4 | -174.1 | -92.9 | 0 | 0 | 0 | 112.7 | K83 Q84 D90 L91 | K83-H87 WeakPolarHBondContact O-CB 3.24Å; K83-H87 PolarHBondContact O-N 2.77Å; Q84-H87 PolarHBondContact O-N 3.47Å; H87-D90 CarbonylContact O-C 3.53Å; H87-D90 PolarHBondContact O-N 3.48Å; H87-L91 WeakPolarHBondContact CE1-CD1 3.11Å; H87-L91 WeakPolarHBondContact ND1-CD1 3.45Å; H87-L91 WeakPolarHBondContact O-CB 3.4Å; H87-L91 VanDerWaalsContact O-CG 3.3Å; H87-L91 WeakPolarHBondContact O-CG 3.3Å; H87-L91 PolarHBondContact O-N 2.84Å |
| 88 | L | 72.6 | Confident | 74.9 | Confident | 82 Ų | 82 | 110.4 Ų | 110.4 | 43% | 0.429 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -40.6 | 175 | -171.3 | 68 | 0 | 0 | 0 | 111.3 | Q84 K85 R86 D90 L91 E92 | Q84-L88 PolarHBondContact O-N 2.76Å; K85-L88 PolarHBondContact O-N 3.45Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.12Å; L88-D90 VanDerWaalsContact C-N 3.28Å; L88-D90 PolarHBondContact O-N 2.74Å; L88-L91 PolarHBondContact O-N 3.2Å; L88-E92 VanDerWaalsContact O-CB 3.24Å; L88-E92 WeakPolarHBondContact O-CB 3.43Å; L88-E92 PolarHBondContact O-N 3.24Å |
| 89 | V | 69.4 | Low | 74 | Confident | 100 Ų | 100 | 110.9 Ų | 110.9 | 61% | 0.606 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.2 | -35.5 | 171.5 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | K85 R86 L91 G93 | K85-V89 WeakPolarHBondContact O-CG2 3.28Å; K85-V89 PolarHBondContact O-N 2.74Å; R86-V89 CarbonylContact O-C 3.56Å; R86-V89 PolarHBondContact O-N 3.27Å; V89-L91 VanDerWaalsContact C-N 3.31Å; V89-G93 CarbonylContact O-C 3.55Å; V89-G93 WeakPolarHBondContact O-CA 3.37Å; V89-G93 PolarHBondContact O-N 3.42Å |
| 90 | D | 66.2 | Low | 73.3 | Confident | 84 Ų | 84 | 110.5 Ų | 110.5 | 45% | 0.449 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.3 | -24 | 176.6 | -63.3 | -25.5 | 0 | 0 | 0 | 111.8 | R86 H87 L88 A94 | R86-D90 IonicContact NE-OD2 2.7Å; R86-D90 WeakPolarHBondContact O-CB 3.38Å; R86-D90 PolarHBondContact O-N 3.31Å; H87-D90 CarbonylContact O-C 3.53Å; H87-D90 PolarHBondContact O-N 3.48Å; L88-D90 VanDerWaalsContact C-N 3.28Å; L88-D90 PolarHBondContact O-N 2.74Å; D90-A94 WeakPolarHBondContact O-CA 3.46Å; D90-A94 WeakPolarHBondContact O-CB 3.37Å; D90-A94 PolarHBondContact O-N 2.82Å; D90-A94 VanDerWaalsContact O-N 3.12Å |
| 91 | L | 63.4 | Low | 72.3 | Confident | 107 Ų | 107 | 107.1 Ų | 107.1 | 56% | 0.56 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -89.3 | -46.5 | 176 | -77.3 | 179.6 | 0 | 0 | 0 | 113 | H87 L88 V89 A94 | H87-L91 WeakPolarHBondContact CE1-CD1 3.11Å; H87-L91 WeakPolarHBondContact ND1-CD1 3.45Å; H87-L91 WeakPolarHBondContact O-CB 3.4Å; H87-L91 VanDerWaalsContact O-CG 3.3Å; H87-L91 WeakPolarHBondContact O-CG 3.3Å; H87-L91 PolarHBondContact O-N 2.84Å; L88-L91 PolarHBondContact O-N 3.2Å; V89-L91 VanDerWaalsContact C-N 3.31Å; L91-A94 VanDerWaalsContact O-CB 3.23Å; L91-A94 WeakPolarHBondContact O-CB 3.41Å; L91-A94 PolarHBondContact O-N 2.94Å |
| 92 | E | 60.4 | Low | 71.5 | Confident | 143 Ų | 143 | 106.1 Ų | 106.1 | 67% | 0.668 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -80.5 | -24.9 | 179.1 | -170.5 | 163.3 | -164 | 0 | 0 | 111.5 | L88 | L88-E92 VanDerWaalsContact O-CB 3.24Å; L88-E92 WeakPolarHBondContact O-CB 3.43Å; L88-E92 PolarHBondContact O-N 3.24Å |
| 93 | G | 57.9 | Low | 70.7 | Confident | 40 Ų | 40 | 102.4 Ų | 102.4 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -104.2 | 14.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V89 D95 G96 | V89-G93 CarbonylContact O-C 3.55Å; V89-G93 WeakPolarHBondContact O-CA 3.37Å; V89-G93 PolarHBondContact O-N 3.42Å; G93-D95 CarbonylContact O-C 3.49Å; G93-D95 PolarHBondContact O-N 3.19Å; G93-G96 WeakPolarHBondContact O-CA 3.4Å; G93-G96 PolarHBondContact O-N 3.39Å |
| 94 | A | 55.4 | Low | 69.8 | Low | 65 Ų | 65 | 99.1 Ų | 99.1 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | | | trans | -57.5 | -27.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D90 L91 G96 | D90-A94 WeakPolarHBondContact O-CA 3.46Å; D90-A94 WeakPolarHBondContact O-CB 3.37Å; D90-A94 PolarHBondContact O-N 2.82Å; D90-A94 VanDerWaalsContact O-N 3.12Å; L91-A94 VanDerWaalsContact O-CB 3.23Å; L91-A94 WeakPolarHBondContact O-CB 3.41Å; L91-A94 PolarHBondContact O-N 2.94Å; A94-G96 PolarHBondContact O-N 2.86Å |
| 95 | D | 57.6 | Low | 69 | Low | 135 Ų | 135 | 100.7 Ų | 100.7 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -75.3 | 54.9 | 164.8 | -68 | -2.2 | 0 | 0 | 0 | 108.8 | G93 L97 | G93-D95 CarbonylContact O-C 3.49Å; G93-D95 PolarHBondContact O-N 3.19Å; D95-L97 PolarHBondContact O-N 3.33Å |
| 96 | G | 63.5 | Low | 68.4 | Low | 56 Ų | 56 | 104.3 Ų | 104.3 | 58% | 0.577 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.7 | 121.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G93 A94 N98 | G93-G96 WeakPolarHBondContact O-CA 3.4Å; G93-G96 PolarHBondContact O-N 3.39Å; A94-G96 PolarHBondContact O-N 2.86Å; G96-N98 PolarHBondContact O-N 3.45Å |
| 97 | L | 66.2 | Low | 67.7 | Low | 152 Ų | 152 | 103.1 Ų | 103.1 | 80% | 0.796 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 10.5 | 84.2 | -172.6 | -88.9 | 163.6 | 0 | 0 | 0 | 111.8 | D95 L99 V102 | D95-L97 PolarHBondContact O-N 3.33Å; L97-L99 WeakPolarHBondContact O-CA 3.41Å; L97-L99 PolarHBondContact O-N 2.85Å; L97-V102 HydrophobicContact CB-CG2 4.31Å; L97-V102 HydrophobicContact CD2-CG2 3.99Å |
| 98 | N | 69.6 | Low | 67.3 | Low | 82 Ų | 82 | 103.4 Ų | 103.4 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | | | trans | -45.2 | 105.3 | -174.8 | 177 | -15.6 | 0 | 0 | 0 | 108.9 | G96 K100 A101 V102 | G96-N98 PolarHBondContact O-N 3.45Å; N98-K100 PolarHBondContact O-N 2.93Å; N98-K100 VanDerWaalsContact O-N 3.13Å; N98-K100 WeakPolarHBondContact OD1-CA 3.5Å; N98-K100 VanDerWaalsContact OD1-CB 3.24Å; N98-K100 WeakPolarHBondContact OD1-CB 3.45Å; N98-K100 PolarHBondContact OD1-N 3.25Å; N98-A101 HydrophobicContact CB-CB 3.86Å; N98-A101 CarbonylContact O-C 3.6Å; N98-A101 WeakPolarHBondContact O-CA 3.3Å; N98-A101 VanDerWaalsContact O-CB 3.31Å; N98-A101 WeakPolarHBondContact O-CB 3.38Å; N98-A101 PolarHBondContact O-N 2.86Å; N98-A101 PolarHBondContact OD1-N 2.64Å; N98-V102 PolarHBondContact O-N 3.25Å |
| 99 | L | 69.7 | Low | 67.1 | Low | 117 Ų | 117 | 105.5 Ų | 105.5 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.8 | -35.3 | -170.3 | -177.9 | 61.9 | 0 | 0 | 0 | 108.6 | L97 A101 V102 L103 | L97-L99 WeakPolarHBondContact O-CA 3.41Å; L97-L99 PolarHBondContact O-N 2.85Å; L99-A101 VanDerWaalsContact C-N 3.33Å; L99-A101 PolarHBondContact O-N 3.45Å; L99-V102 PolarHBondContact O-N 2.71Å; L99-L103 HydrophobicContact CD1-CD1 4.48Å; L99-L103 HydrophobicContact CD1-CD2 4.47Å; L99-L103 HydrophobicContact CD1-CG 4.18Å; L99-L103 HydrophobicContact CG-CD1 3.92Å; L99-L103 HydrophobicContact CG-CG 4.09Å; L99-L103 VanDerWaalsContact O-CB 3.27Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 2.96Å |
| 100 | K | 73.6 | Confident | 67 | Low | 171 Ų | 171 | 107 Ų | 107 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.4 | -38 | 173.7 | -58.6 | -178.2 | 176.4 | -179.8 | 0 | 112.4 | N98 A104 | N98-K100 PolarHBondContact O-N 2.93Å; N98-K100 VanDerWaalsContact O-N 3.13Å; N98-K100 WeakPolarHBondContact OD1-CA 3.5Å; N98-K100 VanDerWaalsContact OD1-CB 3.24Å; N98-K100 WeakPolarHBondContact OD1-CB 3.45Å; N98-K100 PolarHBondContact OD1-N 3.25Å; K100-A104 VanDerWaalsContact O-CB 3.24Å; K100-A104 WeakPolarHBondContact O-CB 3.43Å; K100-A104 PolarHBondContact O-N 3.27Å |
| 101 | A | 70.7 | Confident | 66.9 | Low | 42 Ų | 42 | 107.1 Ų | 107.1 | 35% | 0.347 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.3 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | N98 L99 L103 A104 H105 | N98-A101 HydrophobicContact CB-CB 3.86Å; N98-A101 CarbonylContact O-C 3.6Å; N98-A101 WeakPolarHBondContact O-CA 3.3Å; N98-A101 VanDerWaalsContact O-CB 3.31Å; N98-A101 WeakPolarHBondContact O-CB 3.38Å; N98-A101 PolarHBondContact O-N 2.86Å; N98-A101 PolarHBondContact OD1-N 2.64Å; L99-A101 VanDerWaalsContact C-N 3.33Å; L99-A101 PolarHBondContact O-N 3.45Å; A101-L103 VanDerWaalsContact C-N 3.31Å; A101-L103 PolarHBondContact O-N 2.93Å; A101-A104 PolarHBondContact O-N 3.47Å; A101-H105 PolarHBondContact O-CD2 3.38Å; A101-H105 PolarHBondContact O-N 3.48Å |
| 102 | V | 72 | Confident | 66.9 | Low | 71 Ų | 71 | 106.9 Ų | 106.9 | 43% | 0.43 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.3 | -40.2 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | L97 N98 L99 H105 | L97-V102 HydrophobicContact CB-CG2 4.31Å; L97-V102 HydrophobicContact CD2-CG2 3.99Å; N98-V102 PolarHBondContact O-N 3.25Å; L99-V102 PolarHBondContact O-N 2.71Å; V102-H105 PolarHBondContact O-N 2.83Å |
| 103 | L | 73.1 | Confident | 66.8 | Low | 64 Ų | 64 | 109.1 Ų | 109.1 | 34% | 0.335 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -70 | -38 | 177.3 | -67.7 | 178.4 | 0 | 0 | 0 | 112.2 | L99 A101 H105 R106 | L99-L103 HydrophobicContact CD1-CD1 4.48Å; L99-L103 HydrophobicContact CD1-CD2 4.47Å; L99-L103 HydrophobicContact CD1-CG 4.18Å; L99-L103 HydrophobicContact CG-CD1 3.92Å; L99-L103 HydrophobicContact CG-CG 4.09Å; L99-L103 VanDerWaalsContact O-CB 3.27Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 2.96Å; A101-L103 VanDerWaalsContact C-N 3.31Å; A101-L103 PolarHBondContact O-N 2.93Å; L103-H105 PolarHBondContact O-N 3.26Å; L103-R106 VanDerWaalsContact O-CB 3.24Å; L103-R106 WeakPolarHBondContact O-CB 3.09Å; L103-R106 VanDerWaalsContact O-CG 3.29Å; L103-R106 WeakPolarHBondContact O-CG 3.34Å; L103-R106 PolarHBondContact O-N 3.34Å |
| 104 | A | 72 | Confident | 66.7 | Low | 81 Ų | 81 | 110 Ų | 110 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65 | -23.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K100 A101 R106 | K100-A104 VanDerWaalsContact O-CB 3.24Å; K100-A104 WeakPolarHBondContact O-CB 3.43Å; K100-A104 PolarHBondContact O-N 3.27Å; A101-A104 PolarHBondContact O-N 3.47Å; A104-R106 VanDerWaalsContact C-N 3.34Å |
| 105 | H | 69.3 | Low | 66.9 | Low | 153 Ų | 153 | 113.3 Ų | 113.3 | 71% | 0.708 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 9.1 | 174.1 | -69.8 | -60.2 | 0 | 0 | 0 | 114 | A101 V102 L103 V107 | A101-H105 PolarHBondContact O-CD2 3.38Å; A101-H105 PolarHBondContact O-N 3.48Å; V102-H105 PolarHBondContact O-N 2.83Å; L103-H105 PolarHBondContact O-N 3.26Å; H105-V107 PolarHBondContact O-N 3.35Å |
| 106 | R | 71.1 | Confident | 67.1 | Low | 188 Ų | 188 | 114 Ų | 114 | 71% | 0.709 | 66% | 0.661 | S | S | * | * | | | trans | -65.4 | 102.7 | 171.2 | -73.8 | 179 | 168.5 | -177.3 | 1.9 | 109.5 | L103 A104 | L103-R106 VanDerWaalsContact O-CB 3.24Å; L103-R106 WeakPolarHBondContact O-CB 3.09Å; L103-R106 VanDerWaalsContact O-CG 3.29Å; L103-R106 WeakPolarHBondContact O-CG 3.34Å; L103-R106 PolarHBondContact O-N 3.34Å; A104-R106 VanDerWaalsContact C-N 3.34Å |
| 107 | V | 69.4 | Low | 66.7 | Low | 121 Ų | 121 | 118.5 Ų | 118.5 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -69 | 126.3 | 167.5 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | H105 L109 | H105-V107 PolarHBondContact O-N 3.35Å; V107-L109 PolarHBondContact O-N 2.91Å |
| 108 | P | 70.4 | Confident | 66.1 | Low | 117 Ų | 117 | 115.2 Ų | 115.2 | 76% | 0.76 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -55 | 123.6 | 172.9 | -23.1 | 32.3 | 0 | 0 | 0 | 109.9 | | |
| 109 | L | 68.1 | Low | 65.3 | Low | 127 Ų | 127 | 119.6 Ų | 119.6 | 67% | 0.665 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.3 | 173.9 | -68.6 | 175.5 | 0 | 0 | 0 | 108.5 | V107 G111 V112 | V107-L109 PolarHBondContact O-N 2.91Å; L109-G111 PolarHBondContact O-N 2.89Å; L109-G111 VanDerWaalsContact O-N 3.11Å; L109-V112 PolarHBondContact O-N 3.42Å |
| 110 | P | 66.8 | Low | 64.5 | Low | 132 Ų | 132 | 120.4 Ų | 120.4 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 116.7 | 176.1 | 25.3 | -31.7 | 0 | 0 | 0 | 109.4 | | |
| 111 | G | 64 | Low | 63.5 | Low | 85 Ų | 85 | 120.8 Ų | 120.8 | 88% | 0.876 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.3 | 7.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L109 | L109-G111 PolarHBondContact O-N 2.89Å; L109-G111 VanDerWaalsContact O-N 3.11Å |
| 112 | V | 63.7 | Low | 62.4 | Low | 103 Ų | 103 | 123 Ų | 123 | 62% | 0.624 | 71% | 0.712 | S | S | * | * | | | trans | -103.8 | 111.1 | 164.1 | 166.1 | 0 | 0 | 0 | 0 | 107.3 | L109 G114 | L109-V112 PolarHBondContact O-N 3.42Å; V112-G114 PolarHBondContact O-N 2.91Å; V112-G114 VanDerWaalsContact O-N 3.14Å |
| 113 | E | 57.8 | Low | 61.3 | Low | 190 Ų | 190 | 128.4 Ų | 128.4 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | | | trans | -60.7 | 114.7 | 163.9 | -69.7 | -171.4 | 167.7 | 0 | 0 | 106.8 | D115 | E113-D115 PolarHBondContact O-N 3.14Å; E113-D115 VanDerWaalsContact O-N 3.17Å |
| 114 | G | 56.9 | Low | 59.9 | Low | 57 Ų | 57 | 134.5 Ų | 134.5 | 59% | 0.588 | 76% | 0.756 | S | S | * | * | | | trans | -66.4 | 110 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | V112 D116 | V112-G114 PolarHBondContact O-N 2.91Å; V112-G114 VanDerWaalsContact O-N 3.14Å; G114-D116 PolarHBondContact O-N 3.3Å |
| 115 | D | 60 | Low | 58.6 | Low | 135 Ų | 135 | 136.9 Ų | 136.9 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -74.4 | 67.5 | 169.3 | -164.8 | 20.6 | 0 | 0 | 0 | 108.4 | E113 E117 | E113-D115 PolarHBondContact O-N 3.14Å; E113-D115 VanDerWaalsContact O-N 3.17Å; D115-E117 PolarHBondContact O-N 3.01Å; D115-E117 VanDerWaalsContact O-N 3.1Å |
| 116 | D | 61.3 | Low | 57.7 | Low | 150 Ų | 150 | 136.1 Ų | 136.1 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | -81.6 | 75.5 | 174.4 | -72.5 | -27.2 | 0 | 0 | 0 | 108.2 | G114 A118 | G114-D116 PolarHBondContact O-N 3.3Å; D116-A118 PolarHBondContact O-N 2.91Å |
| 117 | E | 54.4 | Low | 56.5 | Low | 151 Ų | 151 | 135 Ų | 135 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -66.6 | 77.1 | 165.4 | -69.7 | -103.5 | -166.9 | 0 | 0 | 108.6 | D115 E119 | D115-E117 PolarHBondContact O-N 3.01Å; D115-E117 VanDerWaalsContact O-N 3.1Å; E117-E119 PolarHBondContact O-N 2.82Å; E117-E119 VanDerWaalsContact O-N 3.15Å |
| 118 | A | 54 | Low | 55.6 | Low | 83 Ų | 83 | 137.6 Ų | 137.6 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | | | trans | -78.8 | 83.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | D116 V120 | D116-A118 PolarHBondContact O-N 2.91Å; A118-V120 VanDerWaalsContact C-N 3.32Å; A118-V120 PolarHBondContact O-N 3.16Å |
| 119 | E | 54 | Low | 54.7 | Low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | trans | -67.5 | 90.8 | 165 | -81.4 | -174 | 158.1 | 0 | 0 | 109.6 | E117 E121 | E117-E119 PolarHBondContact O-N 2.82Å; E117-E119 VanDerWaalsContact O-N 3.15Å; E119-E121 PolarHBondContact O-N 2.72Å |
| 120 | V | 53.1 | Low | 53.6 | Low | 134 Ų | 134 | 143.6 Ų | 143.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -85.3 | 87.6 | 162.3 | -89.2 | 0 | 0 | 0 | 0 | 108.5 | A118 | A118-V120 VanDerWaalsContact C-N 3.32Å; A118-V120 PolarHBondContact O-N 3.16Å |
| 121 | E | 52.4 | Low | 52.6 | Low | 179 Ų | 179 | 146 Ų | 146 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 133.1 | 168.7 | -81.2 | -64.2 | 162.8 | 0 | 0 | 111.6 | E119 | E119-E121 PolarHBondContact O-N 2.72Š|
| 122 | A | 46.5 | Very low | 51.8 | Low | 89 Ų | 89 | 147.8 Ų | 147.8 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 142.7 | -154.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 123 | E | 49.1 | Very low | 51 | Low | 184 Ų | 184 | 150.4 Ų | 150.4 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 130.7 | 171.6 | -62.9 | 173.2 | 165.8 | 0 | 0 | 111.9 | | |
| 124 | K | 44.5 | Very low | 50.3 | Low | 193 Ų | 193 | 148.1 Ų | 148.1 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | -132 | 105.3 | 160.1 | -171.2 | -177.8 | 178.4 | -172.4 | 0 | 110 | | |
| 125 | N | 44.7 | Very low | 49.9 | Very low | 130 Ų | 130 | 153.3 Ų | 153.3 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | -63 | 138.4 | 173.1 | -58.7 | -24.2 | 0 | 0 | 0 | 112.1 | | |
| 126 | V | 50.5 | Low | 49.1 | Very low | 137 Ų | 137 | 153.7 Ų | 153.7 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -139.2 | 114.7 | 149.9 | -179.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 127 | E | 45 | Very low | 48.5 | Very low | 166 Ų | 166 | 155.5 Ų | 155.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -75.1 | -179.6 | 176.9 | -63.8 | 174.1 | 159.5 | 0 | 0 | 111.5 | | |
| 128 | E | 51.2 | Low | 47.8 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | 99.7 | 129.1 | 167.3 | -54.2 | 175.6 | -163.9 | 0 | 0 | 115.3 | | |
| 129 | E | 51.7 | Low | 47.3 | Very low | 180 Ų | 180 | 157 Ų | 157 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | cis | -165.3 | 155.6 | -3.5 | -110.6 | -178.1 | -176.4 | 0 | 0 | 107.5 | | |
| 130 | E | 43.4 | Very low | 46.6 | Very low | 191 Ų | 191 | 155.3 Ų | 155.3 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | -73.6 | 147.1 | 178.6 | -64.8 | 173.8 | 131 | 0 | 0 | 113.8 | | |
| 131 | E | 47.3 | Very low | 46.2 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | -170.8 | 98.1 | 138.6 | -116.1 | -178.7 | 169.9 | 0 | 0 | 108.9 | | |
| 132 | N | 46.7 | Very low | 45.8 | Very low | 122 Ų | 122 | 157.6 Ų | 157.6 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | | | | 60.6 | 108.8 | 84.6 | -132.7 | 3.3 | 0 | 0 | 0 | 114.2 | | |
| 133 | H | 47.7 | Very low | 45.5 | Very low | 159 Ų | 159 | 161.8 Ų | 161.8 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | | 168.2 | 138.4 | 114.7 | -87 | -61.4 | 0 | 0 | 0 | 113.6 | | |
| 134 | D | 42.5 | Very low | 45.3 | Very low | 141 Ų | 141 | 161.3 Ų | 161.3 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | trans | -60.7 | 162.1 | -176.4 | -54.3 | -74.8 | 0 | 0 | 0 | 115.8 | | |
| 135 | E | 47.2 | Very low | 45 | Very low | 167 Ų | 167 | 160.5 Ų | 160.5 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | | | | 157.5 | 102.3 | 110.3 | -160.5 | 171.2 | -171.5 | 0 | 0 | 112.6 | | |
| 136 | I | 44.6 | Very low | 44.9 | Very low | 143 Ų | 143 | 160.8 Ų | 160.8 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | trans | 19.6 | 122.8 | 133.3 | -37.7 | 176.6 | 0 | 0 | 0 | 117.7 | | |
| 137 | K | 47.9 | Very low | 44.4 | Very low | 188 Ų | 188 | 161.9 Ų | 161.9 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | | 175.9 | 126.2 | 111.7 | -92.4 | 172.2 | -170.6 | 173.3 | 0 | 113.9 | | |
| 138 | V | 40.2 | Very low | 44.5 | Very low | 128 Ų | 128 | 162 Ų | 162 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -66.9 | 132.1 | 170 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 139 | T | 44.3 | Very low | 44 | Very low | 138 Ų | 138 | 161 Ų | 161 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | -154.1 | 123.3 | 146.7 | 31.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 140 | D | 39.4 | Very low | 43.5 | Very low | 136 Ų | 136 | 159.4 Ų | 159.4 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -56.9 | 132.5 | 170.1 | -59.1 | -58.6 | 0 | 0 | 0 | 112.1 | | |
| 141 | Q | 43.9 | Very low | 43.3 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | 163.7 | 149.6 | 130.5 | -89.8 | 160.7 | 73 | 0 | 0 | 110.9 | | |
| 142 | Q | 43.5 | Very low | 43 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 92.3 | 95.5 | 156.7 | -113.5 | 171.9 | 3.4 | 0 | 0 | 118.9 | | |
| 143 | F | 39.7 | Very low | 42.5 | Very low | 177 Ų | 177 | 158.6 Ų | 158.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | | 18.5 | 115.6 | 127.5 | -67.5 | -93.3 | 0 | 0 | 0 | 118 | | |
| 144 | H | 46.3 | Very low | 42.2 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | | 170.5 | 143.4 | 99.1 | -97.8 | -74.7 | 0 | 0 | 0 | 110.6 | | |
| 145 | Q | 38.1 | Very low | 42.5 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -49.3 | 137.7 | 176.6 | -70.6 | 163.6 | -19.8 | 0 | 0 | 113.6 | | |
| 146 | T | 41.8 | Very low | 42.3 | Very low | 136 Ų | 136 | 157.5 Ų | 157.5 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | | | trans | -151.1 | 121.9 | 140.5 | -59 | 0 | 0 | 0 | 0 | 107.9 | | |
| 147 | I | 39.8 | Very low | 42.6 | Very low | 160 Ų | 160 | 156.4 Ų | 156.4 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | | | trans | -88.3 | 116.3 | 176.8 | -66.4 | 166.8 | 0 | 0 | 0 | 106.8 | | |
| 148 | E | 48.3 | Very low | 42.4 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -146.2 | 113.4 | 154.2 | -74.5 | -151.3 | 160.1 | 0 | 0 | 111.4 | | |
| 149 | Q | 40.9 | Very low | 42.4 | Very low | 153 Ų | 153 | 154.4 Ų | 154.4 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | | | trans | 50.3 | 113.4 | 137 | -65.8 | -174.6 | 14.4 | 0 | 0 | 122.9 | | |
| 150 | I | 39.9 | Very low | 42.6 | Very low | 146 Ų | 146 | 154.7 Ų | 154.7 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | | | trans | 72.7 | 159 | 133.8 | -52.5 | 165.1 | 0 | 0 | 0 | 116.1 | | |
| 151 | P | 38.5 | Very low | 43.1 | Very low | 112 Ų | 112 | 155.4 Ų | 155.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | cis | -125.3 | 169.2 | -15.6 | 21.8 | 0.9 | 0 | 0 | 0 | 115 | R153 | P151-R153 PolarHBondContact O-N 2.94Š|
| 152 | S | 41 | Very low | 42.9 | Very low | 128 Ų | 128 | 153.3 Ų | 153.3 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | | | trans | -41.9 | 123.2 | 169.9 | -47.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 153 | R | 38.1 | Very low | 43 | Very low | 237 Ų | 237 | 150.8 Ų | 150.8 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | | | trans | -91.3 | 109.3 | 174.9 | -162.1 | 174.3 | -175.5 | 179.8 | 1 | 109.9 | P151 | P151-R153 PolarHBondContact O-N 2.94Š|
| 154 | S | 39.9 | Very low | 43 | Very low | 88 Ų | 88 | 150.6 Ų | 150.6 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | | | trans | -63.4 | 136.2 | 164.7 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 155 | I | 49.7 | Very low | 43 | Very low | 152 Ų | 152 | 147 Ų | 147 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -116.6 | 105.7 | 176.1 | -47.2 | 174.3 | 0 | 0 | 0 | 106.5 | | |
| 156 | Y | 41.9 | Very low | 43.1 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 132.8 | 165.7 | -73.9 | -87 | 0 | 0 | 0 | 108.8 | | |
| 157 | P | 52.4 | Low | 43.3 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81 | 132.8 | 173.1 | 29.7 | -28.6 | 0 | 0 | 0 | 111 | | |
| 158 | T | 44 | Very low | 43.3 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 131.9 | 176.3 | 47.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 159 | N | 39.7 | Very low | 43 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | -77.3 | 115.7 | 173.2 | 37.6 | -39 | 0 | 0 | 0 | 110.8 | | |
| 160 | N | 49 | Very low | 42.9 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | trans | -106.8 | 104.1 | 166.3 | -78.4 | -7.7 | 0 | 0 | 0 | 109.3 | | |
| 161 | D | 48.9 | Very low | 43.2 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | 47 | 113.5 | 131.2 | -58.8 | -23.2 | 0 | 0 | 0 | 120.7 | S163 | D161-S163 PolarHBondContact O-N 3.02Š|
| 162 | D | 39 | Very low | 43.4 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | | | trans | -41 | 121.7 | 153.6 | -79.3 | -44.9 | 0 | 0 | 0 | 113.1 | F164 | D162-F164 HydrophobicContact CB-CE2 4.31Š|
| 163 | S | 47.2 | Very low | 43.7 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -136.6 | 102.9 | 146.9 | -98.5 | 0 | 0 | 0 | 0 | 110.7 | D161 | D161-S163 PolarHBondContact O-N 3.02Š|
| 164 | F | 39.7 | Very low | 43.8 | Very low | 172 Ų | 172 | 147 Ų | 147 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | trans | -33.6 | 151.8 | 163.3 | -66.2 | -100.4 | 0 | 0 | 0 | 114.8 | D162 | D162-F164 HydrophobicContact CB-CE2 4.31Š|
| 165 | S | 45.2 | Very low | 44.3 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | 116.1 | 111.2 | 134 | -49.8 | 0 | 0 | 0 | 0 | 115 | | |
| 166 | L | 41.4 | Very low | 44 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | | | | 61.4 | 105.9 | 129.7 | -56.6 | 171.2 | 0 | 0 | 0 | 116.7 | | |
| 167 | L | 44.5 | Very low | 44.6 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | | | trans | -177.1 | 89.8 | 133.6 | -93.5 | 141.2 | 0 | 0 | 0 | 107.2 | | |
| 168 | S | 41 | Very low | 44.2 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | | 61 | 95.6 | 89.4 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 169 | K | 40.4 | Very low | 44.4 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | 37.8 | 132.7 | 131.6 | -64.4 | -179.2 | 175.4 | 176.5 | 0 | 119.3 | | |
| 170 | S | 39.2 | Very low | 44.6 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | 77.8 | 147.7 | 162.8 | 85.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 171 | S | 47 | Very low | 44.2 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | cis | -167.6 | 152.7 | 31.1 | 174.5 | 0 | 0 | 0 | 0 | 107.9 | H173 | S171-H173 PolarHBondContact O-N 3.34Š|
| 172 | K | 42.4 | Very low | 43.9 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | -33.9 | 124.6 | 165.6 | -85.7 | 162.6 | 162.4 | 165.2 | 0 | 112.5 | | |
| 173 | H | 48 | Very low | 44.1 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -142.1 | 111.8 | 148.5 | -101.8 | 24.1 | 0 | 0 | 0 | 109.8 | S171 | S171-H173 PolarHBondContact O-N 3.34Š|
| 174 | Q | 40.3 | Very low | 44.2 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | | | trans | -74.5 | 111.1 | 157.1 | -138.4 | 174.5 | -4.3 | 0 | 0 | 104.2 | | |
| 175 | S | 49.5 | Very low | 44.6 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | | | trans | -123.3 | 111.9 | 170.6 | 56.6 | 0 | 0 | 0 | 0 | 108 | I177 | S175-I177 PolarHBondContact O-N 2.96Å; S175-I177 VanDerWaalsContact O-N 3.15Å |
| 176 | D | 42.7 | Very low | 44.5 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -59.7 | 109.3 | 166.1 | -65.1 | -43.5 | 0 | 0 | 0 | 108 | E178 | D176-E178 PolarHBondContact O-N 3.09Š|
| 177 | I | 54.8 | Low | 44.6 | Very low | 118 Ų | 118 | 154.4 Ų | 154.4 | 61% | 0.605 | 79% | 0.785 | S | S | * | * | | | trans | -86.3 | 96.5 | 175.5 | -65.5 | 165.2 | 0 | 0 | 0 | 107 | S175 W179 | S175-I177 PolarHBondContact O-N 2.96Å; S175-I177 VanDerWaalsContact O-N 3.15Å; I177-W179 HydrophobicContact CG2-CD2 4.18Å; I177-W179 HydrophobicContact CG2-CG 4.34Å; I177-W179 HydrophobicContact CG2-CZ2 4.16Å; I177-W179 PolarHBondContact O-N 3.45Å |
| 178 | E | 44.1 | Very low | 44.6 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -79.1 | 105.8 | 170.1 | -164.9 | 174.8 | -160.5 | 0 | 0 | 108.6 | D176 N180 | D176-E178 PolarHBondContact O-N 3.09Å; E178-N180 PolarHBondContact O-N 2.7Å; E178-N180 VanDerWaalsContact O-N 3.14Å |
| 179 | W | 49.3 | Very low | 44.8 | Very low | 163 Ų | 163 | 154.5 Ų | 154.5 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | | | trans | -77 | 95.5 | -178.7 | -72.5 | 95 | 0 | 0 | 0 | 111.3 | I177 F181 | I177-W179 HydrophobicContact CG2-CD2 4.18Å; I177-W179 HydrophobicContact CG2-CG 4.34Å; I177-W179 HydrophobicContact CG2-CZ2 4.16Å; I177-W179 PolarHBondContact O-N 3.45Å; W179-F181 HydrophobicContact CB-CD2 4.24Å; W179-F181 HydrophobicContact CB-CE2 3.81Å; W179-F181 HydrophobicContact CE3-CZ 4.46Å; W179-F181 HydrophobicContact CG-CE2 4.47Å; W179-F181 PolarHBondContact O-N 3.27Å |
| 180 | N | 42.5 | Very low | 45.1 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -84.4 | 99.9 | 168.8 | -81.3 | -47.2 | 0 | 0 | 0 | 110.6 | E178 S182 | E178-N180 PolarHBondContact O-N 2.7Å; E178-N180 VanDerWaalsContact O-N 3.14Å; N180-S182 PolarHBondContact O-N 2.75Å |
| 181 | F | 40.9 | Very low | 45.1 | Very low | 171 Ų | 171 | 153.2 Ų | 153.2 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | | | trans | -81.1 | 95.5 | 169.6 | -71.1 | -86.7 | 0 | 0 | 0 | 109.7 | W179 | W179-F181 HydrophobicContact CB-CD2 4.24Å; W179-F181 HydrophobicContact CB-CE2 3.81Å; W179-F181 HydrophobicContact CE3-CZ 4.46Å; W179-F181 HydrophobicContact CG-CE2 4.47Å; W179-F181 PolarHBondContact O-N 3.27Å |
| 182 | S | 42.1 | Very low | 44.9 | Very low | 99 Ų | 99 | 154.7 Ų | 154.7 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | trans | -131.2 | 120.6 | 166.9 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | N180 | N180-S182 PolarHBondContact O-N 2.75Š|
| 183 | N | 44.6 | Very low | 44.9 | Very low | 158 Ų | 158 | 153.4 Ų | 153.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | 64.5 | 96.1 | 163 | -63.8 | -10.7 | 0 | 0 | 0 | 117.9 | | |
| 184 | M | 47.8 | Very low | 44.6 | Very low | 188 Ų | 188 | 150.2 Ų | 150.2 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | | | trans | -129.8 | 111.9 | 150.2 | -159.7 | 138.4 | 67.4 | 0 | 0 | 109.2 | | |
| 185 | E | 49.6 | Very low | 44.7 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | trans | -68 | 152.7 | -175.1 | -62.5 | 178 | 168.1 | 0 | 0 | 111.5 | | |
| 186 | H | 42.7 | Very low | 44.3 | Very low | 160 Ų | 160 | 156.3 Ų | 156.3 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | -71.6 | 123.2 | -171.2 | -75.6 | -122.3 | 0 | 0 | 0 | 112.9 | | |
| 187 | E | 42.8 | Very low | 44.3 | Very low | 191 Ų | 191 | 160.1 Ų | 160.1 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -120.6 | 123.9 | 155.9 | -123.3 | 178.5 | -176.6 | 0 | 0 | 109.6 | | |
| 188 | T | 44.9 | Very low | 43.9 | Very low | 110 Ų | 110 | 159.5 Ų | 159.5 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | trans | -110.5 | 111.2 | -167.7 | -35.7 | 0 | 0 | 0 | 0 | 107.4 | I190 | T188-I190 HydrophobicContact CG2-CG1 4.24Š|
| 189 | I | 46.2 | Very low | 43.8 | Very low | 162 Ų | 162 | 159.6 Ų | 159.6 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | trans | -115.9 | 109.1 | 169.8 | -58.8 | 177 | 0 | 0 | 0 | 106.8 | | |
| 190 | I | 45 | Very low | 43.6 | Very low | 138 Ų | 138 | 160.5 Ų | 160.5 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | | | trans | -84.3 | 134.3 | -175.7 | -65.1 | 175.5 | 0 | 0 | 0 | 109.9 | T188 | T188-I190 HydrophobicContact CG2-CG1 4.24Š|
| 191 | D | 39.3 | Very low | 43.9 | Very low | 156 Ų | 156 | 162.1 Ų | 162.1 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | | | trans | -47.4 | 126.1 | 175.5 | -73.7 | -50.6 | 0 | 0 | 0 | 114.3 | | |
| 192 | T | 44.4 | Very low | 44 | Very low | 134 Ų | 134 | 162.2 Ų | 162.2 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | | | trans | -115.6 | 18.3 | 176.4 | 30.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 193 | L | 41 | Very low | 44.5 | Very low | 166 Ų | 166 | 162.5 Ų | 162.5 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | | | trans | -114.8 | 8.5 | -167.9 | -66.2 | 178.9 | 0 | 0 | 0 | 117.7 | | |
| 194 | S | 42.4 | Very low | 44.3 | Very low | 114 Ų | 114 | 161 Ų | 161 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -110.4 | 24.2 | -167.1 | -160.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 195 | N | 41.4 | Very low | 44.4 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | | | trans | -139 | 40.7 | -173.6 | -107.2 | -4.3 | 0 | 0 | 0 | 117.3 | | |
| 196 | R | 42 | Very low | 44.3 | Very low | 243 Ų | 243 | 158.4 Ų | 158.4 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | | | trans | -143.6 | 105.2 | 167.9 | -76.5 | -169.6 | -179.2 | -167.4 | 0.9 | 112.6 | | |
| 197 | R | 43.5 | Very low | 44.3 | Very low | 244 Ų | 244 | 156.3 Ų | 156.3 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | | | trans | 156 | 131.7 | 154 | -89.9 | 171.1 | -175.9 | -148.9 | 2.1 | 107.7 | | |
| 198 | S | 46.2 | Very low | 44.6 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | | | cis | -167 | 120 | 3.1 | -80.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 199 | D | 41.6 | Very low | 44.8 | Very low | 168 Ų | 168 | 155.6 Ų | 155.6 | 90% | 0.898 | 84% | 0.835 | S | S | * | * | | | trans | -88.8 | 104.2 | 162.7 | -67.7 | -43.4 | 0 | 0 | 0 | 108.3 | | |
| 200 | Q | 44.1 | Very low | 45 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | | | trans | 179.2 | 114.9 | 156.3 | -110.7 | 174.4 | 17.1 | 0 | 0 | 109.2 | | |
| 201 | L | 50.3 | Low | 45.6 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | | | trans | 167.1 | 90.4 | 130.2 | -85.3 | 165.2 | 0 | 0 | 0 | 109.4 | | |
| 202 | D | 41.9 | Very low | 46.3 | Very low | 173 Ų | 173 | 153.7 Ų | 153.7 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | | | trans | -69.7 | 125.6 | 153.3 | -83.9 | -40.8 | 0 | 0 | 0 | 108.7 | | |
| 203 | S | 53.1 | Low | 46.8 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | | | trans | -162.3 | 116.3 | 161.8 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 204 | C | 40.6 | Very low | 47.3 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 86% | 0.858 | 82% | 0.822 | S | S | * | * | | | trans | -59.5 | 128.8 | -173.4 | -52.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 205 | C | 50.1 | Low | 48.1 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -132.4 | 114.3 | 157.7 | -60.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 206 | E | 47.2 | Very low | 48.7 | Very low | 194 Ų | 194 | 150.5 Ų | 150.5 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | | | trans | -59.7 | 139.4 | -179.8 | -72.2 | 173.6 | 146 | 0 | 0 | 112.5 | | |
| 207 | T | 41.8 | Very low | 49.3 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | | | trans | -79.1 | 123.7 | -174.1 | -30.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 208 | T | 50.5 | Low | 49.7 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | trans | -114.2 | 94.1 | 156.3 | 18.9 | 0 | 0 | 0 | 0 | 108.6 | I210 | T208-I210 PolarHBondContact O-N 3.42Š|
| 209 | N | 48.9 | Very low | 49.8 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -71.5 | 108.3 | 171 | -90.6 | -38.7 | 0 | 0 | 0 | 109.2 | | |
| 210 | I | 50.6 | Low | 50.3 | Low | 117 Ų | 117 | 138.6 Ų | 138.6 | 60% | 0.6 | 78% | 0.784 | S | S | * | * | | | trans | -102.6 | 106.3 | 164.6 | -52.2 | 175.2 | 0 | 0 | 0 | 107 | T208 Y212 | T208-I210 PolarHBondContact O-N 3.42Å; I210-Y212 HydrophobicContact CB-CE2 4.04Å; I210-Y212 HydrophobicContact CG2-CD2 3.92Å; I210-Y212 HydrophobicContact CG2-CE1 4.16Å; I210-Y212 HydrophobicContact CG2-CE2 3.29Å; I210-Y212 VanDerWaalsContact CG2-CZ 3.43Å |
| 211 | S | 57.2 | Low | 50.3 | Low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -83.1 | 118.1 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 212 | Y | 53 | Low | 50.2 | Low | 184 Ų | 184 | 134.8 Ų | 134.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | -107.7 | 131.3 | 167.3 | -65.9 | -79.9 | 0 | 0 | 0 | 109.4 | I210 V214 | I210-Y212 HydrophobicContact CB-CE2 4.04Å; I210-Y212 HydrophobicContact CG2-CD2 3.92Å; I210-Y212 HydrophobicContact CG2-CE1 4.16Å; I210-Y212 HydrophobicContact CG2-CE2 3.29Å; I210-Y212 VanDerWaalsContact CG2-CZ 3.43Å; Y212-V214 PolarHBondContact O-N 2.73Å |
| 213 | S | 56.3 | Low | 50.4 | Low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 119.1 | 170.7 | -56 | 0 | 0 | 0 | 0 | 109.9 | | |
| 214 | V | 50.2 | Low | 50.1 | Low | 136 Ų | 136 | 133 Ų | 133 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 124.2 | 173.2 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | Y212 | Y212-V214 PolarHBondContact O-N 2.73Š|
| 215 | P | 59.9 | Low | 50.6 | Low | 105 Ų | 105 | 133.3 Ų | 133.3 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 130 | 174.9 | 27.5 | -29.7 | 0 | 0 | 0 | 111 | I217 | P215-I217 PolarHBondContact O-N 3.34Š|
| 216 | N | 53 | Low | 50.4 | Low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | | | trans | -73.7 | 99.4 | 177.7 | -168.6 | 1.8 | 0 | 0 | 0 | 110.1 | | |
| 217 | I | 54.9 | Low | 50.5 | Low | 137 Ų | 137 | 131.5 Ų | 131.5 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | | | trans | -91 | 97.2 | 171.6 | 43.8 | 167.4 | 0 | 0 | 0 | 109.6 | P215 N219 | P215-I217 PolarHBondContact O-N 3.34Å; I217-N219 PolarHBondContact O-N 2.99Å; I217-N219 VanDerWaalsContact O-N 3.17Å |
| 218 | V | 52.8 | Low | 51.1 | Low | 110 Ų | 110 | 133 Ų | 133 | 67% | 0.667 | 77% | 0.767 | S | S | * | * | | | trans | -69.8 | 104.5 | 167.1 | 174 | 0 | 0 | 0 | 0 | 107.9 | T220 | V218-T220 HydrophobicContact CG1-CG2 4.45Å; V218-T220 PolarHBondContact O-N 3.03Å; V218-T220 VanDerWaalsContact O-N 3.13Å |
| 219 | N | 48.8 | Very low | 51.1 | Low | 140 Ų | 140 | 132.2 Ų | 132.2 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | -71.4 | 100.4 | 170.2 | -79.5 | -19.8 | 0 | 0 | 0 | 109.5 | I217 L221 | I217-N219 PolarHBondContact O-N 2.99Å; I217-N219 VanDerWaalsContact O-N 3.17Å; N219-L221 PolarHBondContact O-N 2.86Å |
| 220 | T | 50.5 | Low | 51.6 | Low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -75.9 | 93.4 | 162.7 | 52.7 | 0 | 0 | 0 | 0 | 108.5 | V218 S222 | V218-T220 HydrophobicContact CG1-CG2 4.45Å; V218-T220 PolarHBondContact O-N 3.03Å; V218-T220 VanDerWaalsContact O-N 3.13Å; T220-S222 PolarHBondContact O-N 3.25Å |
| 221 | L | 45 | Very low | 51.5 | Low | 162 Ų | 162 | 133.5 Ų | 133.5 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | | | trans | -80.7 | 98.6 | 170.1 | -150.4 | 78.9 | 0 | 0 | 0 | 108.3 | N219 T223 | N219-L221 PolarHBondContact O-N 2.86Å; L221-T223 PolarHBondContact O-N 3.02Å |
| 222 | S | 46.8 | Very low | 51.3 | Low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -70.4 | 117.3 | 170.3 | -73.1 | 0 | 0 | 0 | 0 | 110 | T220 S224 | T220-S222 PolarHBondContact O-N 3.25Å; S222-S224 PolarHBondContact O-N 2.92Å |
| 223 | T | 46.1 | Very low | 51.2 | Low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -76.1 | 104.4 | 167.7 | 47.3 | 0 | 0 | 0 | 0 | 109.6 | L221 | L221-T223 PolarHBondContact O-N 3.02Š|
| 224 | S | 47.2 | Very low | 50.9 | Low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -99.8 | 110 | 158.6 | -85.7 | 0 | 0 | 0 | 0 | 108.3 | S222 | S222-S224 PolarHBondContact O-N 2.92Š|
| 225 | T | 51.8 | Low | 50.9 | Low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -79.3 | 111 | 167.9 | 34 | 0 | 0 | 0 | 0 | 109.6 | | |
| 226 | D | 45.3 | Very low | 50.2 | Low | 155 Ų | 155 | 144.9 Ų | 144.9 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | -109.9 | 106.6 | 161.9 | -80 | -34.4 | 0 | 0 | 0 | 108.4 | | |
| 227 | T | 50.6 | Low | 50 | Low | 122 Ų | 122 | 144.6 Ų | 144.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -139.3 | 95.9 | 165.6 | -47.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 228 | I | 54 | Low | 49.8 | Very low | 147 Ų | 147 | 145 Ų | 145 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | | | trans | 50.4 | 121.5 | 135.3 | -48.9 | 171.8 | 0 | 0 | 0 | 118.4 | | |
| 229 | P | 50.8 | Low | 49.6 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | -76 | 129.9 | 170.1 | 32 | -30.2 | 0 | 0 | 0 | 110.8 | | |
| 230 | N | 58.7 | Low | 49.7 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | | | trans | -96.3 | 93.5 | 174.1 | -160.9 | 13.2 | 0 | 0 | 0 | 108.8 | | |
| 231 | D | 48.2 | Very low | 49.6 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | | | trans | -76.2 | 118.2 | 161.9 | -87 | -34.7 | 0 | 0 | 0 | 108.1 | | |
| 232 | N | 54.2 | Low | 49.9 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | -174.3 | 120.2 | 146.7 | -90.6 | -36.8 | 0 | 0 | 0 | 112.3 | | |
| 233 | N | 49.9 | Very low | 50.1 | Low | 143 Ų | 143 | 150.9 Ų | 150.9 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | | | trans | 61.9 | 105.7 | 151.4 | -63.2 | -34.4 | 0 | 0 | 0 | 117.8 | | |
| 234 | K | 49.5 | Very low | 50.5 | Low | 189 Ų | 189 | 152.4 Ų | 152.4 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | | | | 45.9 | 97 | 65.8 | -119 | -174.9 | -169.1 | 179.2 | 0 | 113.1 | | |
| 235 | N | 50.9 | Low | 50.7 | Low | 155 Ų | 155 | 155.9 Ų | 155.9 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | | | trans | 164.8 | 94.1 | 134.1 | -84.1 | -20 | 0 | 0 | 0 | 111.4 | | |
| 236 | Q | 44.9 | Very low | 50.6 | Low | 276 Ų | 276 | 157.9 Ų | 157.9 | 100% | 1.29 | 83% | 0.828 | S | S | * | * | | | | 162.9 | 0 | 129.2 | -90.4 | -172.3 | 18.1 | 0 | 0 | 110.1 | | |