| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41 | Very low | 38.8 | Very low | 230 Ų | 230 | 159.5 Ų | 159.5 | 100% | 1.133 | 84% | 0.844 | S | S | * | * | 0 | 103.4 | 0 | -55.6 | 175.6 | -175.8 | 0 | 0 | 104 | |||||
| 2 | D | 36.6 | Very low | 39 | Very low | 141 Ų | 141 | 153.7 Ų | 153.7 | 75% | 0.754 | 84% | 0.835 | S | S | * | * | cis | -154.1 | 132.9 | 17.1 | -69.4 | -53.2 | 0 | 0 | 0 | 106.7 | ||||
| 3 | L | 33.9 | Very low | 39.1 | Very low | 151 Ų | 151 | 157.8 Ų | 157.8 | 79% | 0.791 | 84% | 0.84 | S | S | * | * | 62.4 | 125.8 | 84.8 | -99.6 | 155.5 | 0 | 0 | 0 | 115.4 | |||||
| 4 | T | 36.3 | Very low | 39.1 | Very low | 122 Ų | 122 | 156.1 Ų | 156.1 | 75% | 0.748 | 84% | 0.838 | S | S | * | * | trans | 83.6 | 142.7 | 159.9 | 78 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 5 | T | 37.9 | Very low | 39.4 | Very low | 116 Ų | 116 | 158.8 Ų | 158.8 | 71% | 0.712 | 84% | 0.84 | S | S | * | * | cis | -171.3 | 135.1 | -7.8 | -95 | 0 | 0 | 0 | 0 | 106.4 | M7 | T5-M7 HydrophobicContact CG2-CG 4.39Š| ||
| 6 | T | 42.4 | Very low | 39.4 | Very low | 136 Ų | 136 | 157.2 Ų | 157.2 | 83% | 0.834 | 84% | 0.838 | S | S | * | * | trans | -64.9 | 133.3 | 168.8 | -41 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 7 | M | 36.3 | Very low | 39.8 | Very low | 177 Ų | 177 | 159.9 Ų | 159.9 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | trans | -147.8 | 129.6 | 153 | -83.6 | -131.3 | -134.1 | 0 | 0 | 112.9 | T5 | T5-M7 HydrophobicContact CG2-CG 4.39Š| ||
| 8 | S | 39.4 | Very low | 40.1 | Very low | 110 Ų | 110 | 162.4 Ų | 162.4 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | trans | -83.9 | 121.6 | 177.7 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | K10 | S8-K10 PolarHBondContact O-N 2.72Š| ||
| 9 | S | 40.5 | Very low | 40.1 | Very low | 122 Ų | 122 | 166 Ų | 166 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | trans | -86.5 | 107.2 | 174.9 | -69.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 10 | K | 42.7 | Very low | 40.1 | Very low | 202 Ų | 202 | 163.8 Ų | 163.8 | 88% | 0.878 | 84% | 0.842 | S | S | * | * | trans | -64.7 | 129.5 | 170.4 | -74.4 | 174.8 | 176.8 | 173 | 0 | 110.8 | S8 A12 | S8-K10 PolarHBondContact O-N 2.72Å; K10-A12 PolarHBondContact O-N 3.39Å | ||
| 11 | R | 39.8 | Very low | 40.2 | Very low | 248 Ų | 248 | 165.1 Ų | 165.1 | 94% | 0.936 | 85% | 0.845 | S | S | * | * | trans | -65.5 | 111.2 | 172.6 | -157.3 | 174.8 | -179.4 | -170.5 | 0.5 | 109.8 | ||||
| 12 | A | 40.6 | Very low | 40.3 | Very low | 89 Ų | 89 | 164.8 Ų | 164.8 | 74% | 0.736 | 83% | 0.831 | S | S | * | * | trans | -75.6 | 121.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | K10 T14 | K10-A12 PolarHBondContact O-N 3.39Å; A12-T14 PolarHBondContact O-N 2.8Å | ||
| 13 | K | 40.7 | Very low | 40.8 | Very low | 207 Ų | 207 | 161.7 Ų | 161.7 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | -77.5 | 107.7 | 171 | -73.6 | -180 | 176.1 | 178.8 | 0 | 108.8 | K15 | K13-K15 PolarHBondContact O-N 3.25Š| ||
| 14 | T | 39.7 | Very low | 41.3 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 115.2 | 172.1 | -39.5 | 0 | 0 | 0 | 0 | 109.1 | A12 T16 | A12-T14 PolarHBondContact O-N 2.8Å; T14-T16 PolarHBondContact O-N 2.88Å | ||
| 15 | K | 42.7 | Very low | 41.9 | Very low | 197 Ų | 197 | 158 Ų | 158 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -62.9 | 116.1 | 173.3 | -72.8 | -180 | 176.4 | 179.2 | 0 | 109.1 | K13 K17 | K13-K15 PolarHBondContact O-N 3.25Å; K15-K17 PolarHBondContact O-N 2.97Å; K15-K17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | T | 40 | Very low | 43.1 | Very low | 133 Ų | 133 | 158 Ų | 158 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -62.7 | 109.7 | 167.9 | 40.1 | 0 | 0 | 0 | 0 | 109.1 | T14 K18 | T14-T16 PolarHBondContact O-N 2.88Å; T16-K18 PolarHBondContact O-N 3.19Å | ||
| 17 | K | 45.5 | Very low | 44.4 | Very low | 203 Ų | 203 | 152.2 Ų | 152.2 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121.1 | 166.7 | -82.9 | 179.8 | 171.8 | -179.9 | 0 | 107.9 | K15 R19 | K15-K17 PolarHBondContact O-N 2.97Å; K15-K17 VanDerWaalsContact O-N 3.14Å; K17-R19 PolarHBondContact O-N 2.96Å |
| 18 | K | 45.6 | Very low | 45.9 | Very low | 205 Ų | 205 | 147.8 Ų | 147.8 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 121.9 | 170.9 | -73.8 | -175.7 | 175.3 | -177.1 | 0 | 107.8 | T16 | T16-K18 PolarHBondContact O-N 3.19Š|
| 19 | R | 39.3 | Very low | 47.5 | Very low | 231 Ų | 231 | 146 Ų | 146 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 135.7 | 168 | -89.3 | 173.8 | 149.4 | 174.1 | -7.2 | 108.3 | K17 Q21 | K17-R19 PolarHBondContact O-N 2.96Å; R19-Q21 PolarHBondContact O-N 2.68Å |
| 20 | P | 41.5 | Very low | 49 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 131.3 | 167.9 | 25.8 | -30.4 | 0 | 0 | 0 | 107.7 | R22 | P20-R22 PolarHBondContact O-N 3.43Š|
| 21 | Q | 42.5 | Very low | 50.7 | Low | 192 Ų | 192 | 134.9 Ų | 134.9 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 122.3 | 172 | -82.1 | -174.8 | -51 | 0 | 0 | 107.4 | R19 A23 | R19-Q21 PolarHBondContact O-N 2.68Å; Q21-A23 PolarHBondContact O-N 2.9Å |
| 22 | R | 43.1 | Very low | 52.7 | Low | 222 Ų | 222 | 126.9 Ų | 126.9 | 84% | 0.838 | 66% | 0.655 | S | S | * | * | trans | -61.5 | 100.8 | 168.6 | -91.5 | 178.1 | 161.5 | 173.9 | -8.2 | 107.7 | P20 T24 | P20-R22 PolarHBondContact O-N 3.43Å; R22-T24 HydrophobicContact CB-CG2 4.36Å; R22-T24 HydrophobicContact CG-CG2 4.37Å; R22-T24 PolarHBondContact O-N 3.15Å | ||
| 23 | A | 46 | Very low | 54.5 | Low | 77 Ų | 77 | 131 Ų | 131 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | trans | -73.9 | 62 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108 | Q21 S25 | Q21-A23 PolarHBondContact O-N 2.9Å; A23-S25 VanDerWaalsContact C-N 3.27Å | ||
| 24 | T | 44.1 | Very low | 56.5 | Low | 98 Ų | 98 | 124.5 Ų | 124.5 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | trans | -103.8 | 58 | 162.2 | 61.5 | 0 | 0 | 0 | 0 | 106.3 | R22 N26 | R22-T24 HydrophobicContact CB-CG2 4.36Å; R22-T24 HydrophobicContact CG-CG2 4.37Å; R22-T24 PolarHBondContact O-N 3.15Å; T24-N26 PolarHBondContact O-N 2.93Å | ||
| 25 | S | 48.7 | Very low | 58.5 | Low | 96 Ų | 96 | 121.1 Ų | 121.1 | 67% | 0.671 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -74.3 | 77.3 | 169.3 | -55.4 | 0 | 0 | 0 | 0 | 106.7 | A23 V27 | A23-S25 VanDerWaalsContact C-N 3.27Å; S25-V27 PolarHBondContact O-N 3.05Å |
| 26 | N | 64.2 | Low | 60.6 | Low | 117 Ų | 117 | 113.3 Ų | 113.3 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | trans | 32.1 | 62 | 169.5 | -138.5 | 17 | 0 | 0 | 0 | 114.8 | T24 F28 A29 | T24-N26 PolarHBondContact O-N 2.93Å; N26-F28 PolarHBondContact O-N 3.11Å; N26-A29 HydrophobicContact CB-CB 4.03Å; N26-A29 WeakPolarHBondContact O-CA 3.36Å; N26-A29 VanDerWaalsContact O-CB 3.27Å; N26-A29 WeakPolarHBondContact O-CB 3.33Å; N26-A29 PolarHBondContact O-N 3.31Å | ||
| 27 | V | 70.1 | Confident | 62.8 | Low | 14 Ų | 14 | 111.3 Ų | 111.3 | 9% | 0.085 | 56% | 0.563 | C | S | . | * | G | 310 helix | trans | -53.5 | -31.7 | -179.5 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | S25 A29 M30 F31 T89 L92 | S25-V27 PolarHBondContact O-N 3.05Å; V27-A29 PolarHBondContact O-N 3.08Å; V27-M30 HydrophobicContact CG2-SD 4.32Å; V27-M30 WeakPolarHBondContact O-CB 3.46Å; V27-M30 PolarHBondContact O-N 2.6Å; V27-M30 VanDerWaalsContact O-N 3.08Å; V27-F31 HydrophobicContact CG2-CE2 4.15Å; V27-F31 WeakPolarHBondContact O-CD2 3.42Å; V27-T89 HydrophobicContact CG1-CG2 4.23Å; V27-L92 HydrophobicContact CG1-CB 4.37Å; V27-L92 HydrophobicContact CG2-CB 4.02Å; V27-L92 WeakPolarHBondContact CG2-O 3.39Å |
| 28 | F | 67.6 | Low | 64.9 | Low | 84 Ų | 84 | 108 Ų | 108 | 37% | 0.368 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -65.2 | -18 | 173.7 | -71.8 | -84.6 | 0 | 0 | 0 | 114.4 | N26 I36 F88 T89 L92 | N26-F28 PolarHBondContact O-N 3.11Å; F28-I36 HydrophobicContact CD1-CD1 4.17Å; F28-I36 HydrophobicContact CD1-CG2 4.5Å; F28-F88 HydrophobicContact CE1-CE1 4.19Å; F28-T89 HydrophobicContact CE2-CG2 4.25Å; F28-L92 HydrophobicContact CD1-CD1 3.74Å; F28-L92 HydrophobicContact CE1-CD1 3.28Å; F28-L92 HydrophobicContact CE2-CD1 4.31Å; F28-L92 HydrophobicContact CG-CD1 4.43Å; F28-L92 HydrophobicContact CZ-CD1 3.62Å |
| 29 | A | 72.8 | Confident | 67 | Low | 72 Ų | 72 | 99.6 Ų | 99.6 | 60% | 0.595 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -86.6 | -9.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N26 V27 F31 | N26-A29 HydrophobicContact CB-CB 4.03Å; N26-A29 WeakPolarHBondContact O-CA 3.36Å; N26-A29 VanDerWaalsContact O-CB 3.27Å; N26-A29 WeakPolarHBondContact O-CB 3.33Å; N26-A29 PolarHBondContact O-N 3.31Å; V27-A29 PolarHBondContact O-N 3.08Å; A29-F31 VanDerWaalsContact C-N 3.28Å |
| 30 | M | 71.1 | Confident | 69.5 | Low | 74 Ų | 74 | 93.3 Ų | 93.3 | 37% | 0.365 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -79 | -15.9 | 174.9 | -61.6 | 176.5 | 176 | 0 | 0 | 112.3 | V27 N100 | V27-M30 HydrophobicContact CG2-SD 4.32Å; V27-M30 WeakPolarHBondContact O-CB 3.46Å; V27-M30 PolarHBondContact O-N 2.6Å; V27-M30 VanDerWaalsContact O-N 3.08Å; M30-N100 WeakPolarHBondContact CE-ND2 3.19Å; M30-N100 HydrophobicContact SD-CB 4Å; M30-N100 VanDerWaalsContact SD-CG 3.52Å |
| 31 | F | 78.9 | Confident | 71.9 | Confident | 18 Ų | 18 | 92.8 Ų | 92.8 | 8% | 0.079 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -124.4 | 144.1 | -173.8 | -58.7 | -64.9 | 0 | 0 | 0 | 110.4 | V27 A29 Q35 I36 F39 L92 F95 G96 L99 | V27-F31 HydrophobicContact CG2-CE2 4.15Å; V27-F31 WeakPolarHBondContact O-CD2 3.42Å; A29-F31 VanDerWaalsContact C-N 3.28Å; F31-Q35 HydrophobicContact CB-CB 4.11Å; F31-Q35 HydrophobicContact CD1-CB 4.45Å; F31-I36 HydrophobicContact CB-CD1 4.29Å; F31-I36 HydrophobicContact CB-CG1 3.74Å; F31-F39 AromaticContact CD1-CE2 3.68Å; F31-F39 HydrophobicContact CD1-CE2 3.68Å; F31-F39 HydrophobicContact CD1-CZ 4.48Å; F31-F39 HydrophobicContact CD2-CE2 4.47Å; F31-F39 AromaticContact CE1-CE2 3.64Å; F31-F39 HydrophobicContact CE1-CE2 3.64Å; F31-F39 HydrophobicContact CE1-CZ 4.05Å; F31-F39 HydrophobicContact CE2-CE2 4.43Å; F31-F39 HydrophobicContact CG-CE2 4.09Å; F31-F39 AromaticContact CZ-CE2 4Å; F31-F39 HydrophobicContact CZ-CE2 4Å; F31-F39 HydrophobicContact CZ-CZ 4.37Å; F31-L92 HydrophobicContact CD2-CD2 4.33Å; F31-L92 HydrophobicContact CE2-CB 4.41Å; F31-L92 HydrophobicContact CE2-CD2 4.31Å; F31-F95 HydrophobicContact CZ-CB 4.41Å; F31-G96 VanDerWaalsContact CZ-CA 3.48Å; F31-L99 HydrophobicContact CE1-CD1 3.73Å; F31-L99 HydrophobicContact CZ-CD1 4.23Å |
| 32 | D | 81.4 | Confident | 74.2 | Confident | 79 Ų | 79 | 85.6 Ų | 85.6 | 42% | 0.422 | 45% | 0.454 | S | S | . | . | trans | -75.2 | 171.2 | 168.7 | 68.4 | 43.5 | 0 | 0 | 0 | 111.7 | S34 Q35 I36 | D32-S34 VanDerWaalsContact C-N 3.31Å; D32-S34 VanDerWaalsContact CG-OG 3.32Å; D32-S34 PolarHBondContact O-N 3.41Å; D32-S34 WeakPolarHBondContact OD1-CA 3.45Å; D32-S34 WeakPolarHBondContact OD1-CB 3.36Å; D32-S34 PolarHBondContact OD1-N 3.35Å; D32-S34 PolarHBondContact OD1-OG 3.43Å; D32-Q35 PolarHBondContact O-N 3.03Å; D32-Q35 WeakPolarHBondContact OD1-CG 3.44Å; D32-Q35 PolarHBondContact OD1-N 3.32Å; D32-I36 WeakPolarHBondContact O-CD1 3.27Å; D32-I36 VanDerWaalsContact O-CG1 3.26Å; D32-I36 WeakPolarHBondContact O-CG1 3.39Å; D32-I36 PolarHBondContact O-N 2.93Å | ||
| 33 | Q | 79.6 | Confident | 76.6 | Confident | 175 Ų | 175 | 75.3 Ų | 75.3 | 82% | 0.818 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.5 | -32.1 | -177.6 | -73.7 | -155.2 | 4.3 | 0 | 0 | 113.6 | Q37 | Q33-Q37 WeakPolarHBondContact O-CB 3.5Å; Q33-Q37 PolarHBondContact O-N 3.19Å |
| 34 | S | 82 | Confident | 78.9 | Confident | 72 Ų | 72 | 76 Ų | 76 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.2 | -48 | 176.1 | 21.6 | 0 | 0 | 0 | 0 | 110.8 | D32 I36 Q37 E38 | D32-S34 VanDerWaalsContact C-N 3.31Å; D32-S34 VanDerWaalsContact CG-OG 3.32Å; D32-S34 PolarHBondContact O-N 3.41Å; D32-S34 WeakPolarHBondContact OD1-CA 3.45Å; D32-S34 WeakPolarHBondContact OD1-CB 3.36Å; D32-S34 PolarHBondContact OD1-N 3.35Å; D32-S34 PolarHBondContact OD1-OG 3.43Å; S34-I36 PolarHBondContact O-N 2.89Å; S34-Q37 WeakPolarHBondContact O-CB 3.45Å; S34-Q37 PolarHBondContact O-N 3.31Å; S34-Q37 VanDerWaalsContact O-N 3.12Å; S34-E38 PolarHBondContact O-N 3.11Å |
| 35 | Q | 82.1 | Confident | 81.1 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 29% | 0.29 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 177.1 | -69.4 | 175.8 | -46.2 | 0 | 0 | 111.2 | F31 D32 Q37 E38 F39 | F31-Q35 HydrophobicContact CB-CB 4.11Å; F31-Q35 HydrophobicContact CD1-CB 4.45Å; D32-Q35 PolarHBondContact O-N 3.03Å; D32-Q35 WeakPolarHBondContact OD1-CG 3.44Å; D32-Q35 PolarHBondContact OD1-N 3.32Å; Q35-Q37 PolarHBondContact O-N 3.48Å; Q35-E38 PolarHBondContact O-N 3.25Å; Q35-F39 HydrophobicContact CB-CD2 4.44Å; Q35-F39 HydrophobicContact CB-CE2 4.18Å; Q35-F39 WeakPolarHBondContact O-CD2 3.4Å; Q35-F39 WeakPolarHBondContact O-CG 3.19Å; Q35-F39 PolarHBondContact O-N 3.19Å |
| 36 | I | 86.4 | Confident | 83.2 | Confident | 34 Ų | 34 | 73.5 Ų | 73.5 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.5 | -39.3 | 176.4 | -67.4 | 163.9 | 0 | 0 | 0 | 111 | F28 F31 D32 S34 K40 | F28-I36 HydrophobicContact CD1-CD1 4.17Å; F28-I36 HydrophobicContact CD1-CG2 4.5Å; F31-I36 HydrophobicContact CB-CD1 4.29Å; F31-I36 HydrophobicContact CB-CG1 3.74Å; D32-I36 WeakPolarHBondContact O-CD1 3.27Å; D32-I36 VanDerWaalsContact O-CG1 3.26Å; D32-I36 WeakPolarHBondContact O-CG1 3.39Å; D32-I36 PolarHBondContact O-N 2.93Å; S34-I36 PolarHBondContact O-N 2.89Å; I36-K40 WeakPolarHBondContact O-CB 3.46Å; I36-K40 PolarHBondContact O-N 2.89Å |
| 37 | Q | 87.3 | Confident | 84.7 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | 178.3 | -176.6 | 57.4 | 38.4 | 0 | 0 | 111.6 | Q33 S34 Q35 K40 E41 | Q33-Q37 WeakPolarHBondContact O-CB 3.5Å; Q33-Q37 PolarHBondContact O-N 3.19Å; S34-Q37 WeakPolarHBondContact O-CB 3.45Å; S34-Q37 PolarHBondContact O-N 3.31Å; S34-Q37 VanDerWaalsContact O-N 3.12Å; Q35-Q37 PolarHBondContact O-N 3.48Å; Q37-K40 WeakPolarHBondContact O-CB 3.3Å; Q37-K40 PolarHBondContact O-N 3.46Å; Q37-K40 VanDerWaalsContact O-N 3.16Å; Q37-E41 PolarHBondContact NE2-OE1 3.25Å; Q37-E41 WeakPolarHBondContact O-CG 3.4Å; Q37-E41 PolarHBondContact O-N 3.02Å |
| 38 | E | 87.8 | Confident | 85.7 | Confident | 132 Ų | 132 | 72.4 Ų | 72.4 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.1 | -46.2 | 174.1 | -72.6 | 176.7 | -174.2 | 0 | 0 | 111.7 | S34 Q35 K40 E41 A42 | S34-E38 PolarHBondContact O-N 3.11Å; Q35-E38 PolarHBondContact O-N 3.25Å; E38-K40 PolarHBondContact O-N 3.18Å; E38-E41 PolarHBondContact O-N 3.3Å; E38-A42 WeakPolarHBondContact O-CB 3.3Å; E38-A42 PolarHBondContact O-N 3.44Å |
| 39 | F | 90.1 | Very high | 86.8 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 13% | 0.132 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 175.5 | -72.9 | -54.1 | 0 | 0 | 0 | 112.1 | F31 Q35 F43 F88 F91 L92 F95 L99 | F31-F39 AromaticContact CD1-CE2 3.68Å; F31-F39 HydrophobicContact CD1-CE2 3.68Å; F31-F39 HydrophobicContact CD1-CZ 4.48Å; F31-F39 HydrophobicContact CD2-CE2 4.47Å; F31-F39 AromaticContact CE1-CE2 3.64Å; F31-F39 HydrophobicContact CE1-CE2 3.64Å; F31-F39 HydrophobicContact CE1-CZ 4.05Å; F31-F39 HydrophobicContact CE2-CE2 4.43Å; F31-F39 HydrophobicContact CG-CE2 4.09Å; F31-F39 AromaticContact CZ-CE2 4Å; F31-F39 HydrophobicContact CZ-CE2 4Å; F31-F39 HydrophobicContact CZ-CZ 4.37Å; Q35-F39 HydrophobicContact CB-CD2 4.44Å; Q35-F39 HydrophobicContact CB-CE2 4.18Å; Q35-F39 WeakPolarHBondContact O-CD2 3.4Å; Q35-F39 WeakPolarHBondContact O-CG 3.19Å; Q35-F39 PolarHBondContact O-N 3.19Å; F39-F43 VanDerWaalsContact O-CB 3.27Å; F39-F43 WeakPolarHBondContact O-CB 3.49Å; F39-F43 PolarHBondContact O-N 3.4Å; F39-F88 HydrophobicContact CB-CE2 4.21Å; F39-F88 HydrophobicContact CB-CZ 4.42Å; F39-F91 HydrophobicContact CB-CE1 4.27Å; F39-F91 HydrophobicContact CD1-CE1 4.08Å; F39-L92 HydrophobicContact CB-CD2 3.59Å; F39-L92 HydrophobicContact CD2-CD2 3.54Å; F39-L92 HydrophobicContact CE2-CD2 4.4Å; F39-L92 HydrophobicContact CG-CD2 3.69Å; F39-F95 HydrophobicContact CD1-CD1 4.49Å; F39-F95 HydrophobicContact CD1-CD2 4.49Å; F39-F95 HydrophobicContact CD1-CG 4.28Å; F39-F95 HydrophobicContact CE1-CB 3.98Å; F39-F95 AromaticContact CE1-CD1 3.61Å; F39-F95 HydrophobicContact CE1-CD1 3.61Å; F39-F95 HydrophobicContact CE1-CD2 4.31Å; F39-F95 HydrophobicContact CE1-CE1 4.16Å; F39-F95 AromaticContact CE1-CG 3.69Å; F39-F95 HydrophobicContact CE1-CG 3.69Å; F39-F95 HydrophobicContact CZ-CB 4.12Å; F39-F95 HydrophobicContact CZ-CD1 4.24Å; F39-F95 HydrophobicContact CZ-CG 4.29Å; F39-L99 HydrophobicContact CZ-CD1 4.2Å |
| 40 | K | 91.9 | Very high | 87.8 | Confident | 99 Ų | 99 | 79 Ų | 79 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 177.2 | -169.9 | 176.9 | -178.1 | -178.3 | 0 | 111.8 | I36 Q37 E38 F43 N44 F88 | I36-K40 WeakPolarHBondContact O-CB 3.46Å; I36-K40 PolarHBondContact O-N 2.89Å; Q37-K40 WeakPolarHBondContact O-CB 3.3Å; Q37-K40 PolarHBondContact O-N 3.46Å; Q37-K40 VanDerWaalsContact O-N 3.16Å; E38-K40 PolarHBondContact O-N 3.18Å; K40-F43 PolarHBondContact O-N 3.2Å; K40-N44 WeakPolarHBondContact O-CB 3.27Å; K40-N44 PolarHBondContact O-N 3.27Å; K40-N44 PolarHBondContact O-ND2 2.94Å; K40-N44 VanDerWaalsContact O-ND2 3.09Å; K40-F88 VanDerWaalsContact CA-CE2 3.47Å; K40-F88 HydrophobicContact CB-CE1 4.49Å; K40-F88 HydrophobicContact CB-CE2 4Å; K40-F88 HydrophobicContact CB-CZ 3.71Å; K40-F88 HydrophobicContact CG-CE2 4.46Å; K40-F88 HydrophobicContact CG-CZ 4.21Å |
| 41 | E | 92.3 | Very high | 88.9 | Confident | 110 Ų | 110 | 79.7 Ų | 79.7 | 51% | 0.514 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 175.5 | -73.2 | 172.5 | -162.2 | 0 | 0 | 111.5 | Q37 E38 N44 M45 | Q37-E41 PolarHBondContact NE2-OE1 3.25Å; Q37-E41 WeakPolarHBondContact O-CG 3.4Å; Q37-E41 PolarHBondContact O-N 3.02Å; E38-E41 PolarHBondContact O-N 3.3Å; E41-N44 PolarHBondContact O-N 2.9Å; E41-M45 PolarHBondContact O-N 3.31Å |
| 42 | A | 91.3 | Very high | 89.6 | Confident | 42 Ų | 42 | 80.3 Ų | 80.3 | 35% | 0.347 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60 | -46 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E38 N44 M45 I46 | E38-A42 WeakPolarHBondContact O-CB 3.3Å; E38-A42 PolarHBondContact O-N 3.44Å; A42-N44 PolarHBondContact O-N 2.93Å; A42-M45 WeakPolarHBondContact O-CB 3.26Å; A42-M45 PolarHBondContact O-N 2.99Å; A42-M45 VanDerWaalsContact O-N 3.13Å; A42-I46 WeakPolarHBondContact O-CG1 3.39Å; A42-I46 PolarHBondContact O-N 2.9Å; A42-I46 VanDerWaalsContact O-N 3.14Å |
| 43 | F | 93.9 | Very high | 90.3 | Very high | 6 Ų | 6 | 80.8 Ų | 80.8 | 3% | 0.026 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 177.2 | -173.8 | -86.5 | 0 | 0 | 0 | 111.5 | F39 K40 M45 I46 D47 G52 I54 F88 F91 | F39-F43 VanDerWaalsContact O-CB 3.27Å; F39-F43 WeakPolarHBondContact O-CB 3.49Å; F39-F43 PolarHBondContact O-N 3.4Å; K40-F43 PolarHBondContact O-N 3.2Å; F43-M45 PolarHBondContact O-N 2.99Å; F43-I46 PolarHBondContact O-N 3.31Å; F43-D47 HydrophobicContact CD1-CB 4.21Å; F43-D47 HydrophobicContact CE1-CB 3.87Å; F43-D47 HydrophobicContact CZ-CB 4.48Å; F43-D47 WeakPolarHBondContact O-CB 3.48Å; F43-D47 PolarHBondContact O-N 3.49Å; F43-G52 WeakPolarHBondContact CZ-O 3.45Å; F43-I54 HydrophobicContact CD2-CD1 3.51Å; F43-I54 HydrophobicContact CD2-CG1 4.13Å; F43-I54 HydrophobicContact CE2-CD1 3.42Å; F43-I54 VanDerWaalsContact CE2-CD1 3.42Å; F43-I54 HydrophobicContact CE2-CG1 3.62Å; F43-I54 HydrophobicContact CG-CD1 4.4Å; F43-I54 HydrophobicContact CZ-CD1 4.23Å; F43-I54 HydrophobicContact CZ-CG1 3.94Å; F43-F88 HydrophobicContact CB-CD2 3.69Å; F43-F88 HydrophobicContact CB-CE2 4.01Å; F43-F88 HydrophobicContact CD1-CB 4.39Å; F43-F88 HydrophobicContact CD1-CD2 4.2Å; F43-F88 HydrophobicContact CD2-CB 4.32Å; F43-F88 AromaticContact CD2-CD2 3.87Å; F43-F88 HydrophobicContact CD2-CD2 3.87Å; F43-F88 HydrophobicContact CE1-CB 4.34Å; F43-F88 HydrophobicContact CE2-CB 4.25Å; F43-F88 HydrophobicContact CG-CB 4.4Å; F43-F88 AromaticContact CG-CD2 3.64Å; F43-F88 HydrophobicContact CG-CD2 3.64Å; F43-F88 HydrophobicContact CG-CE2 4.45Å; F43-F88 HydrophobicContact CG-CG 4.47Å; F43-F88 HydrophobicContact CZ-CB 4.27Å; F43-F91 HydrophobicContact CB-CD1 4.39Å; F43-F91 HydrophobicContact CB-CE1 4.34Å; F43-F91 HydrophobicContact CD2-CB 3.83Å; F43-F91 HydrophobicContact CD2-CD1 4.06Å; F43-F91 HydrophobicContact CD2-CD2 4.04Å; F43-F91 AromaticContact CD2-CG 3.74Å; F43-F91 HydrophobicContact CD2-CG 3.74Å; F43-F91 HydrophobicContact CE2-CB 4.08Å; F43-F91 HydrophobicContact CE2-CG 4.4Å |
| 44 | N | 92.5 | Very high | 91 | Very high | 90 Ų | 90 | 72.9 Ų | 72.9 | 48% | 0.481 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.5 | -22 | 178.3 | -67.7 | -26.9 | 0 | 0 | 0 | 113.6 | K40 E41 A42 | K40-N44 WeakPolarHBondContact O-CB 3.27Å; K40-N44 PolarHBondContact O-N 3.27Å; K40-N44 PolarHBondContact O-ND2 2.94Å; K40-N44 VanDerWaalsContact O-ND2 3.09Å; E41-N44 PolarHBondContact O-N 2.9Å; A42-N44 PolarHBondContact O-N 2.93Å |
| 45 | M | 90.8 | Very high | 91.6 | Very high | 123 Ų | 123 | 71.7 Ų | 71.7 | 61% | 0.606 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -77.8 | -28.2 | 173.3 | -173 | -179.8 | -65.6 | 0 | 0 | 111.4 | E41 A42 F43 Q48 | E41-M45 PolarHBondContact O-N 3.31Å; A42-M45 WeakPolarHBondContact O-CB 3.26Å; A42-M45 PolarHBondContact O-N 2.99Å; A42-M45 VanDerWaalsContact O-N 3.13Å; F43-M45 PolarHBondContact O-N 2.99Å; M45-Q48 PolarHBondContact O-NE2 3.35Å |
| 46 | I | 93.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 70.6 Ų | 70.6 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -84.5 | -48.2 | 178.3 | -59 | 162.3 | 0 | 0 | 0 | 110.3 | A42 F43 Q48 I54 D58 L59 M62 F91 | A42-I46 WeakPolarHBondContact O-CG1 3.39Å; A42-I46 PolarHBondContact O-N 2.9Å; A42-I46 VanDerWaalsContact O-N 3.14Å; F43-I46 PolarHBondContact O-N 3.31Å; I46-Q48 VanDerWaalsContact C-N 3.31Å; I46-Q48 PolarHBondContact O-N 2.93Å; I46-I54 HydrophobicContact CB-CD1 3.98Å; I46-I54 HydrophobicContact CB-CG1 4.28Å; I46-I54 HydrophobicContact CD1-CD1 4.19Å; I46-I54 HydrophobicContact CG2-CB 4.37Å; I46-I54 HydrophobicContact CG2-CD1 3.74Å; I46-I54 HydrophobicContact CG2-CG1 3.81Å; I46-I54 HydrophobicContact CG2-CG2 3.66Å; I46-D58 WeakPolarHBondContact O-CB 3.41Å; I46-L59 HydrophobicContact CG2-CD2 3.82Å; I46-M62 HydrophobicContact CG1-CE 4.12Å; I46-M62 HydrophobicContact CG1-CG 4.26Å; I46-F91 HydrophobicContact CD1-CE2 3.95Å; I46-F91 HydrophobicContact CD1-CZ 4.2Å |
| 47 | D | 95.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 74.7 Ų | 74.7 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | trans | -69.6 | 80.8 | 178.1 | 178.6 | 8.4 | 0 | 0 | 0 | 110.7 | F43 N49 R50 D51 G52 | F43-D47 HydrophobicContact CD1-CB 4.21Å; F43-D47 HydrophobicContact CE1-CB 3.87Å; F43-D47 HydrophobicContact CZ-CB 4.48Å; F43-D47 WeakPolarHBondContact O-CB 3.48Å; F43-D47 PolarHBondContact O-N 3.49Å; D47-N49 PolarHBondContact OD1-OD1 2.89Å; D47-N49 VanDerWaalsContact OD1-OD1 3.07Å; D47-R50 PolarHBondContact O-N 2.99Å; D47-R50 WeakPolarHBondContact OD1-CA 3.44Å; D47-R50 PolarHBondContact OD1-N 3.39Å; D47-R50 WeakPolarHBondContact OD2-CA 3.45Å; D47-D51 PolarHBondContact OD1-N 2.98Å; D47-G52 VanDerWaalsContact OD2-CA 3.29Å; D47-G52 WeakPolarHBondContact OD2-CA 3.5Å; D47-G52 PolarHBondContact OD2-N 3.01Å | ||
| 48 | Q | 90.8 | Very high | 93 | Very high | 101 Ų | 101 | 70.5 Ų | 70.5 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -69.2 | -38.6 | -175.3 | -70.1 | -65.9 | -44.1 | 0 | 0 | 110.8 | M45 I46 R50 D58 D61 | M45-Q48 PolarHBondContact O-NE2 3.35Å; I46-Q48 VanDerWaalsContact C-N 3.31Å; I46-Q48 PolarHBondContact O-N 2.93Å; Q48-R50 VanDerWaalsContact C-N 3.32Å; Q48-D58 PolarHBondContact N-OD1 3.14Å; Q48-D61 HydrophobicContact CG-CB 4.31Å |
| 49 | N | 91.8 | Very high | 93.2 | Very high | 80 Ų | 80 | 65 Ų | 65 | 43% | 0.428 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -79.5 | -15.2 | -177.8 | 75 | 30.3 | 0 | 0 | 0 | 113 | D47 D51 D58 | D47-N49 PolarHBondContact OD1-OD1 2.89Å; D47-N49 VanDerWaalsContact OD1-OD1 3.07Å; N49-D51 VanDerWaalsContact C-N 3.34Å; N49-D51 VanDerWaalsContact OD1-CB 3.22Å; N49-D51 WeakPolarHBondContact OD1-CB 3.33Å; N49-D51 PolarHBondContact OD1-N 3.04Å; N49-D51 PolarHBondContact OD1-OD1 2.79Å; N49-D58 PolarHBondContact N-OD1 3.01Å |
| 50 | R | 92.4 | Very high | 93.4 | Very high | 213 Ų | 213 | 66.6 Ų | 66.6 | 80% | 0.804 | 33% | 0.327 | S | S | * | . | trans | 62.4 | 33.1 | 178.2 | -55.8 | -176.3 | 179.3 | -174.4 | -0.6 | 114.1 | D47 Q48 G52 | D47-R50 PolarHBondContact O-N 2.99Å; D47-R50 WeakPolarHBondContact OD1-CA 3.44Å; D47-R50 PolarHBondContact OD1-N 3.39Å; D47-R50 WeakPolarHBondContact OD2-CA 3.45Å; Q48-R50 VanDerWaalsContact C-N 3.32Å; R50-G52 VanDerWaalsContact C-N 3.29Å | ||
| 51 | D | 94.4 | Very high | 93.4 | Very high | 89 Ų | 89 | 65.9 Ų | 65.9 | 48% | 0.476 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -85.1 | -6.5 | 177.2 | 84.1 | -0.1 | 0 | 0 | 0 | 113 | D47 N49 F53 | D47-D51 PolarHBondContact OD1-N 2.98Å; N49-D51 VanDerWaalsContact C-N 3.34Å; N49-D51 VanDerWaalsContact OD1-CB 3.22Å; N49-D51 WeakPolarHBondContact OD1-CB 3.33Å; N49-D51 PolarHBondContact OD1-N 3.04Å; N49-D51 PolarHBondContact OD1-OD1 2.79Å; D51-F53 WeakPolarHBondContact OD1-CA 3.38Å; D51-F53 WeakPolarHBondContact OD1-CB 3.42Å; D51-F53 PolarHBondContact OD1-N 3.39Å; D51-F53 VanDerWaalsContact OD1-O 3.1Å |
| 52 | G | 93.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 62.6 Ų | 62.6 | 32% | 0.32 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 86.5 | 8.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F43 D47 R50 N87 | F43-G52 WeakPolarHBondContact CZ-O 3.45Å; D47-G52 VanDerWaalsContact OD2-CA 3.29Å; D47-G52 WeakPolarHBondContact OD2-CA 3.5Å; D47-G52 PolarHBondContact OD2-N 3.01Å; R50-G52 VanDerWaalsContact C-N 3.29Å; G52-N87 WeakPolarHBondContact O-CA 3.38Å |
| 53 | F | 95.6 | Very high | 93.5 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 40% | 0.395 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.4 | 173.6 | -61.8 | -95 | 0 | 0 | 0 | 109.4 | D51 P85 I86 N87 | D51-F53 WeakPolarHBondContact OD1-CA 3.38Å; D51-F53 WeakPolarHBondContact OD1-CB 3.42Å; D51-F53 PolarHBondContact OD1-N 3.39Å; D51-F53 VanDerWaalsContact OD1-O 3.1Å; F53-P85 HydrophobicContact CD1-CB 3.96Å; F53-P85 HydrophobicContact CE1-CB 4.11Å; F53-I86 CarbonylContact C-O 3.55Å; F53-I86 WeakPolarHBondContact CA-O 3.46Å; F53-N87 HydrophobicContact CD1-CB 3.8Å; F53-N87 HydrophobicContact CE1-CB 3.7Å; F53-N87 HydrophobicContact CZ-CB 4.35Å |
| 54 | I | 95 | Very high | 93.3 | Very high | 9 Ų | 9 | 63.7 Ų | 63.7 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.4 | 170.5 | -65.8 | 167.7 | 0 | 0 | 0 | 107.4 | F43 I46 D58 L59 M79 I86 F91 | F43-I54 HydrophobicContact CD2-CD1 3.51Å; F43-I54 HydrophobicContact CD2-CG1 4.13Å; F43-I54 HydrophobicContact CE2-CD1 3.42Å; F43-I54 VanDerWaalsContact CE2-CD1 3.42Å; F43-I54 HydrophobicContact CE2-CG1 3.62Å; F43-I54 HydrophobicContact CG-CD1 4.4Å; F43-I54 HydrophobicContact CZ-CD1 4.23Å; F43-I54 HydrophobicContact CZ-CG1 3.94Å; I46-I54 HydrophobicContact CB-CD1 3.98Å; I46-I54 HydrophobicContact CB-CG1 4.28Å; I46-I54 HydrophobicContact CD1-CD1 4.19Å; I46-I54 HydrophobicContact CG2-CB 4.37Å; I46-I54 HydrophobicContact CG2-CD1 3.74Å; I46-I54 HydrophobicContact CG2-CG1 3.81Å; I46-I54 HydrophobicContact CG2-CG2 3.66Å; I54-D58 HydrophobicContact CG2-CB 4.42Å; I54-L59 HydrophobicContact CG2-CD1 4.47Å; I54-L59 HydrophobicContact CG2-CD2 3.93Å; I54-L59 HydrophobicContact CG2-CG 3.83Å; I54-M79 WeakPolarHBondContact O-CE 3.4Å; I54-I86 HydrophobicContact CB-CB 4.14Å; I54-I86 HydrophobicContact CB-CG2 4.13Å; I54-I86 HydrophobicContact CD1-CG2 4.15Å; I54-I86 PolarHBondContact N-O 3.23Å; I54-F91 HydrophobicContact CD1-CD2 3.88Å; I54-F91 HydrophobicContact CD1-CE2 4.11Å |
| 55 | D | 94.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 25% | 0.251 | 33% | 0.326 | S | S | . | . | trans | -110.4 | -175.6 | 172.5 | 69 | 24.4 | 0 | 0 | 0 | 112.9 | E57 D58 L59 | D55-E57 VanDerWaalsContact C-N 3.33Å; D55-E57 WeakPolarHBondContact OD1-CB 3.35Å; D55-E57 PolarHBondContact OD1-N 2.89Å; D55-E57 VanDerWaalsContact OD1-N 3.11Å; D55-D58 PolarHBondContact N-OD2 3.32Å; D55-D58 PolarHBondContact OD1-N 3.12Å; D55-L59 PolarHBondContact O-N 3.32Å | ||
| 56 | K | 94.9 | Very high | 93 | Very high | 38 Ų | 38 | 63.1 Ų | 63.1 | 17% | 0.165 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.3 | -38.6 | -176.3 | -173.7 | 179.1 | -175.3 | 171.1 | 0 | 110.6 | L59 H60 D72 L75 D76 M79 | K56-L59 PolarHBondContact O-N 3.45Å; K56-H60 WeakPolarHBondContact O-CB 3.41Å; K56-H60 PolarHBondContact O-N 3.33Å; K56-D72 VanDerWaalsContact NZ-CG 3.3Å; K56-D72 PolarHBondContact NZ-O 3.46Å; K56-D72 IonicContact NZ-OD2 2.75Å; K56-D72 PolarHBondContact NZ-OD2 3.3Å; K56-L75 HydrophobicContact CD-CB 4.42Å; K56-L75 HydrophobicContact CG-CB 3.91Å; K56-L75 HydrophobicContact CG-CD1 4.15Å; K56-D76 VanDerWaalsContact CE-OD1 3.27Å; K56-D76 WeakPolarHBondContact CE-OD1 3.15Å; K56-D76 IonicContact NZ-OD1 2.68Å; K56-D76 PolarHBondContact NZ-OD1 3.42Å; K56-D76 IonicContact NZ-OD2 3.73Å; K56-D76 PolarHBondContact NZ-OD2 2.9Å; K56-M79 HydrophobicContact CB-CG 4.44Å |
| 57 | E | 94.4 | Very high | 92.8 | Very high | 120 Ų | 120 | 65.4 Ų | 65.4 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.5 | -43.6 | 179 | -69.3 | 74.4 | -171.8 | 0 | 0 | 111.2 | D55 L59 H60 D61 | D55-E57 VanDerWaalsContact C-N 3.33Å; D55-E57 WeakPolarHBondContact OD1-CB 3.35Å; D55-E57 PolarHBondContact OD1-N 2.89Å; D55-E57 VanDerWaalsContact OD1-N 3.11Å; E57-L59 PolarHBondContact O-N 3.26Å; E57-H60 WeakPolarHBondContact O-CB 3.44Å; E57-H60 PolarHBondContact O-N 2.92Å; E57-D61 WeakPolarHBondContact O-CB 3.27Å; E57-D61 PolarHBondContact O-N 3.06Å |
| 58 | D | 95.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 173.9 | -74.5 | -42.4 | 0 | 0 | 0 | 112.1 | I46 Q48 N49 I54 D55 D61 M62 | I46-D58 WeakPolarHBondContact O-CB 3.41Å; Q48-D58 PolarHBondContact N-OD1 3.14Å; N49-D58 PolarHBondContact N-OD1 3.01Å; I54-D58 HydrophobicContact CG2-CB 4.42Å; D55-D58 PolarHBondContact N-OD2 3.32Å; D55-D58 PolarHBondContact OD1-N 3.12Å; D58-D61 PolarHBondContact O-N 2.82Å; D58-M62 WeakPolarHBondContact O-CB 3.45Å; D58-M62 PolarHBondContact O-N 3.13Å |
| 59 | L | 92.8 | Very high | 92.4 | Very high | 16 Ų | 16 | 73.8 Ų | 73.8 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.6 | -71.1 | 178.8 | 0 | 0 | 0 | 112.3 | I46 I54 D55 K56 E57 L63 L75 M78 M79 | I46-L59 HydrophobicContact CG2-CD2 3.82Å; I54-L59 HydrophobicContact CG2-CD1 4.47Å; I54-L59 HydrophobicContact CG2-CD2 3.93Å; I54-L59 HydrophobicContact CG2-CG 3.83Å; D55-L59 PolarHBondContact O-N 3.32Å; K56-L59 PolarHBondContact O-N 3.45Å; E57-L59 PolarHBondContact O-N 3.26Å; L59-L63 WeakPolarHBondContact O-CB 3.29Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 2.79Å; L59-L75 HydrophobicContact CB-CD2 3.85Å; L59-M78 HydrophobicContact CD1-CB 4.16Å; L59-M78 HydrophobicContact CD1-CE 4.4Å; L59-M78 HydrophobicContact CD2-CE 4.27Å; L59-M79 HydrophobicContact CD1-CG 4.16Å; L59-M79 HydrophobicContact CD1-SD 3.46Å; L59-M79 WeakPolarHBondContact CD1-SD 3.47Å; L59-M79 HydrophobicContact CG-SD 4.43Å |
| 60 | H | 94 | Very high | 92.4 | Very high | 64 Ų | 64 | 70.9 Ų | 70.9 | 30% | 0.296 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.1 | -51.7 | 176 | 175 | -84.8 | 0 | 0 | 0 | 110.5 | K56 E57 L63 A64 L75 | K56-H60 WeakPolarHBondContact O-CB 3.41Å; K56-H60 PolarHBondContact O-N 3.33Å; E57-H60 WeakPolarHBondContact O-CB 3.44Å; E57-H60 PolarHBondContact O-N 2.92Å; H60-L63 PolarHBondContact O-N 2.98Å; H60-A64 VanDerWaalsContact O-CB 3.22Å; H60-A64 WeakPolarHBondContact O-CB 3.4Å; H60-A64 PolarHBondContact O-N 3.33Å; H60-L75 HydrophobicContact CB-CD1 3.73Å |
| 61 | D | 92.5 | Very high | 92.5 | Very high | 84 Ų | 84 | 64.9 Ų | 64.9 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | -176.2 | -73.2 | -5.5 | 0 | 0 | 0 | 111.7 | Q48 E57 D58 A64 S65 | Q48-D61 HydrophobicContact CG-CB 4.31Å; E57-D61 WeakPolarHBondContact O-CB 3.27Å; E57-D61 PolarHBondContact O-N 3.06Å; D58-D61 PolarHBondContact O-N 2.82Å; D61-A64 PolarHBondContact O-N 3.03Å; D61-S65 WeakPolarHBondContact O-CB 3.34Å; D61-S65 PolarHBondContact O-N 3.25Å |
| 62 | M | 92.9 | Very high | 92.4 | Very high | 41 Ų | 41 | 65.6 Ų | 65.6 | 20% | 0.202 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.9 | -50.8 | 172.9 | -178.8 | -81.7 | -153.9 | 0 | 0 | 111.1 | I46 D58 A64 S65 L66 | I46-M62 HydrophobicContact CG1-CE 4.12Å; I46-M62 HydrophobicContact CG1-CG 4.26Å; D58-M62 WeakPolarHBondContact O-CB 3.45Å; D58-M62 PolarHBondContact O-N 3.13Å; M62-A64 PolarHBondContact O-N 3.37Å; M62-S65 WeakPolarHBondContact O-CB 3.48Å; M62-S65 PolarHBondContact O-N 3.35Å; M62-S65 PolarHBondContact O-OG 3.45Å; M62-L66 HydrophobicContact CE-CD1 4.07Å; M62-L66 PolarHBondContact O-N 2.79Å; M62-L66 HydrophobicContact SD-CD1 3.74Å |
| 63 | L | 90.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 71.8 Ų | 71.8 | 14% | 0.141 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 180 | -72.1 | 171.8 | 0 | 0 | 0 | 112 | L59 H60 S65 L66 G67 K68 P70 Y74 L75 M78 | L59-L63 WeakPolarHBondContact O-CB 3.29Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 2.79Å; H60-L63 PolarHBondContact O-N 2.98Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 2.65Å; L63-L66 CarbonylContact O-C 3.55Å; L63-L66 PolarHBondContact O-N 2.82Å; L63-L66 VanDerWaalsContact O-N 3.16Å; L63-G67 PolarHBondContact O-N 3.14Å; L63-K68 CarbonylContact C-O 3.33Å; L63-K68 HydrophobicContact CB-CB 4.27Å; L63-K68 WeakPolarHBondContact O-CA 3.42Å; L63-K68 WeakPolarHBondContact O-CB 3.35Å; L63-K68 PolarHBondContact O-N 2.88Å; L63-K68 VanDerWaalsContact O-O 3.09Å; L63-P70 HydrophobicContact CB-CG 3.83Å; L63-P70 HydrophobicContact CD1-CB 3.81Å; L63-P70 HydrophobicContact CD1-CG 3.84Å; L63-Y74 HydrophobicContact CD1-CE1 4.05Å; L63-L75 HydrophobicContact CD1-CD2 3.89Å; L63-M78 HydrophobicContact CD1-SD 4.36Å |
| 64 | A | 90.6 | Very high | 92.2 | Very high | 43 Ų | 43 | 73.6 Ų | 73.6 | 36% | 0.355 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H60 D61 M62 L66 G67 K68 | H60-A64 VanDerWaalsContact O-CB 3.22Å; H60-A64 WeakPolarHBondContact O-CB 3.4Å; H60-A64 PolarHBondContact O-N 3.33Å; D61-A64 PolarHBondContact O-N 3.03Å; M62-A64 PolarHBondContact O-N 3.37Å; A64-L66 PolarHBondContact O-N 3.21Å; A64-G67 WeakPolarHBondContact O-CA 2.99Å; A64-G67 PolarHBondContact O-N 2.79Å; A64-K68 WeakPolarHBondContact CA-O 3.44Å; A64-K68 PolarHBondContact N-O 3.38Å |
| 65 | S | 88.8 | Confident | 92.1 | Very high | 90 Ų | 90 | 73.2 Ų | 73.2 | 63% | 0.629 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.2 | -28.5 | 176.6 | 82.7 | 0 | 0 | 0 | 0 | 112.9 | D61 M62 L63 G67 | D61-S65 WeakPolarHBondContact O-CB 3.34Å; D61-S65 PolarHBondContact O-N 3.25Å; M62-S65 WeakPolarHBondContact O-CB 3.48Å; M62-S65 PolarHBondContact O-N 3.35Å; M62-S65 PolarHBondContact O-OG 3.45Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 2.65Å; S65-G67 PolarHBondContact O-N 2.95Å |
| 66 | L | 87.5 | Confident | 92 | Very high | 111 Ų | 111 | 74.2 Ų | 74.2 | 58% | 0.581 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 5.7 | 173.5 | -62.3 | 176.9 | 0 | 0 | 0 | 113.2 | M62 L63 A64 K68 | M62-L66 HydrophobicContact CE-CD1 4.07Å; M62-L66 PolarHBondContact O-N 2.79Å; M62-L66 HydrophobicContact SD-CD1 3.74Å; L63-L66 CarbonylContact O-C 3.55Å; L63-L66 PolarHBondContact O-N 2.82Å; L63-L66 VanDerWaalsContact O-N 3.16Å; A64-L66 PolarHBondContact O-N 3.21Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 2.9Å |
| 67 | G | 89.8 | Confident | 91.9 | Very high | 69 Ų | 69 | 75 Ų | 75 | 71% | 0.711 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 15.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | L63 A64 S65 | L63-G67 PolarHBondContact O-N 3.14Å; A64-G67 WeakPolarHBondContact O-CA 2.99Å; A64-G67 PolarHBondContact O-N 2.79Å; S65-G67 PolarHBondContact O-N 2.95Å |
| 68 | K | 88.9 | Confident | 91.7 | Very high | 138 Ų | 138 | 72 Ų | 72 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | trans | -94 | 142.2 | 171.5 | -59.6 | -65.1 | -174.7 | 175.9 | 0 | 109.1 | L63 A64 L66 P70 | L63-K68 CarbonylContact C-O 3.33Å; L63-K68 HydrophobicContact CB-CB 4.27Å; L63-K68 WeakPolarHBondContact O-CA 3.42Å; L63-K68 WeakPolarHBondContact O-CB 3.35Å; L63-K68 PolarHBondContact O-N 2.88Å; L63-K68 VanDerWaalsContact O-O 3.09Å; A64-K68 WeakPolarHBondContact CA-O 3.44Å; A64-K68 PolarHBondContact N-O 3.38Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 2.9Å; K68-P70 VanDerWaalsContact O-CD 3.26Å; K68-P70 WeakPolarHBondContact O-CD 3.43Å | ||
| 69 | N | 90.4 | Very high | 91.5 | Very high | 146 Ų | 146 | 74 Ų | 74 | 78% | 0.781 | 41% | 0.41 | S | S | * | . | trans | -113.3 | 83.2 | 174.2 | -160.6 | 48.5 | 0 | 0 | 0 | 108.6 | ||||
| 70 | P | 91.2 | Very high | 91.4 | Very high | 18 Ų | 18 | 79.6 Ų | 79.6 | 12% | 0.117 | 44% | 0.44 | C | S | . | . | trans | -66.6 | 147.9 | -176.3 | 30.8 | -36.9 | 0 | 0 | 0 | 111 | L63 K68 Y74 L75 | L63-P70 HydrophobicContact CB-CG 3.83Å; L63-P70 HydrophobicContact CD1-CB 3.81Å; L63-P70 HydrophobicContact CD1-CG 3.84Å; K68-P70 VanDerWaalsContact O-CD 3.26Å; K68-P70 WeakPolarHBondContact O-CD 3.43Å; P70-Y74 HydrophobicContact CB-CD1 3.88Å; P70-L75 HydrophobicContact CB-CD1 4.4Å; P70-L75 HydrophobicContact CB-CD2 3.88Å; P70-L75 HydrophobicContact CB-CG 3.98Å; P70-L75 HydrophobicContact CG-CD1 4.12Å; P70-L75 HydrophobicContact CG-CD2 3.92Å; P70-L75 HydrophobicContact CG-CG 4.15Å | ||
| 71 | T | 93.4 | Very high | 91 | Very high | 87 Ų | 87 | 82 Ų | 82 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | trans | -82.1 | 154 | 171.5 | 58.9 | 0 | 0 | 0 | 0 | 110.4 | E73 Y74 L75 | T71-E73 PolarHBondContact O-N 2.88Å; T71-Y74 WeakPolarHBondContact O-CB 3.44Å; T71-Y74 PolarHBondContact O-N 3.48Å; T71-Y74 WeakPolarHBondContact OG1-CB 3.23Å; T71-Y74 PolarHBondContact OG1-N 3.25Å; T71-L75 PolarHBondContact O-N 2.85Å | ||
| 72 | D | 93.2 | Very high | 90.7 | Very high | 104 Ų | 104 | 78.7 Ų | 78.7 | 56% | 0.556 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -53.7 | -41.3 | 174.1 | -96.9 | 49.2 | 0 | 0 | 0 | 112.7 | K56 Y74 L75 D76 | K56-D72 VanDerWaalsContact NZ-CG 3.3Å; K56-D72 PolarHBondContact NZ-O 3.46Å; K56-D72 IonicContact NZ-OD2 2.75Å; K56-D72 PolarHBondContact NZ-OD2 3.3Å; D72-Y74 VanDerWaalsContact C-N 3.33Å; D72-Y74 PolarHBondContact O-N 3.09Å; D72-L75 PolarHBondContact O-N 2.83Å; D72-D76 WeakPolarHBondContact O-CB 3.42Å; D72-D76 PolarHBondContact O-N 3.06Å; D72-D76 VanDerWaalsContact O-OD2 3.11Å |
| 73 | E | 94.6 | Very high | 90.2 | Very high | 162 Ų | 162 | 82 Ų | 82 | 76% | 0.757 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.8 | -38.2 | 178 | -67.5 | 177.3 | 171.5 | 0 | 0 | 112.4 | T71 A77 | T71-E73 PolarHBondContact O-N 2.88Å; E73-A77 WeakPolarHBondContact O-CB 3.49Å; E73-A77 PolarHBondContact O-N 2.76Å |
| 74 | Y | 91.4 | Very high | 90.1 | Very high | 127 Ų | 127 | 82 Ų | 82 | 50% | 0.498 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 177.2 | 176.5 | -105 | 0 | 0 | 0 | 111.1 | L63 P70 T71 D72 A77 M78 | L63-Y74 HydrophobicContact CD1-CE1 4.05Å; P70-Y74 HydrophobicContact CB-CD1 3.88Å; T71-Y74 WeakPolarHBondContact O-CB 3.44Å; T71-Y74 PolarHBondContact O-N 3.48Å; T71-Y74 WeakPolarHBondContact OG1-CB 3.23Å; T71-Y74 PolarHBondContact OG1-N 3.25Å; D72-Y74 VanDerWaalsContact C-N 3.33Å; D72-Y74 PolarHBondContact O-N 3.09Å; Y74-A77 WeakPolarHBondContact O-CB 3.49Å; Y74-A77 PolarHBondContact O-N 3.24Å; Y74-M78 HydrophobicContact CD1-SD 3.96Å; Y74-M78 HydrophobicContact CE1-CG 4.27Å; Y74-M78 HydrophobicContact CE1-SD 3.35Å; Y74-M78 WeakPolarHBondContact CE1-SD 3.49Å; Y74-M78 WeakPolarHBondContact O-CG 3.32Å; Y74-M78 PolarHBondContact O-N 3.09Å |
| 75 | L | 92.9 | Very high | 90 | Very high | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.005 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.5 | -64.5 | 174.1 | 0 | 0 | 0 | 111.7 | K56 L59 H60 L63 P70 T71 D72 A77 M78 M79 | K56-L75 HydrophobicContact CD-CB 4.42Å; K56-L75 HydrophobicContact CG-CB 3.91Å; K56-L75 HydrophobicContact CG-CD1 4.15Å; L59-L75 HydrophobicContact CB-CD2 3.85Å; H60-L75 HydrophobicContact CB-CD1 3.73Å; L63-L75 HydrophobicContact CD1-CD2 3.89Å; P70-L75 HydrophobicContact CB-CD1 4.4Å; P70-L75 HydrophobicContact CB-CD2 3.88Å; P70-L75 HydrophobicContact CB-CG 3.98Å; P70-L75 HydrophobicContact CG-CD1 4.12Å; P70-L75 HydrophobicContact CG-CD2 3.92Å; P70-L75 HydrophobicContact CG-CG 4.15Å; T71-L75 PolarHBondContact O-N 2.85Å; D72-L75 PolarHBondContact O-N 2.83Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.07Å; L75-M78 WeakPolarHBondContact O-CB 3.36Å; L75-M78 PolarHBondContact O-N 2.96Å; L75-M79 WeakPolarHBondContact O-CG 3.46Å; L75-M79 PolarHBondContact O-N 2.99Å |
| 76 | D | 92.9 | Very high | 90.3 | Very high | 69 Ų | 69 | 80.8 Ų | 80.8 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.4 | -70.9 | -31.3 | 0 | 0 | 0 | 111 | K56 D72 M79 N80 | K56-D76 VanDerWaalsContact CE-OD1 3.27Å; K56-D76 WeakPolarHBondContact CE-OD1 3.15Å; K56-D76 IonicContact NZ-OD1 2.68Å; K56-D76 PolarHBondContact NZ-OD1 3.42Å; K56-D76 IonicContact NZ-OD2 3.73Å; K56-D76 PolarHBondContact NZ-OD2 2.9Å; D72-D76 WeakPolarHBondContact O-CB 3.42Å; D72-D76 PolarHBondContact O-N 3.06Å; D72-D76 VanDerWaalsContact O-OD2 3.11Å; D76-M79 PolarHBondContact O-N 3.16Å; D76-N80 VanDerWaalsContact O-CB 3.29Å; D76-N80 WeakPolarHBondContact O-CB 3.32Å; D76-N80 PolarHBondContact O-N 2.88Å; D76-N80 PolarHBondContact O-ND2 3.08Å |
| 77 | A | 91.9 | Very high | 90.6 | Very high | 54 Ų | 54 | 78.3 Ų | 78.3 | 45% | 0.446 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E73 Y74 L75 M79 N80 E81 | E73-A77 WeakPolarHBondContact O-CB 3.49Å; E73-A77 PolarHBondContact O-N 2.76Å; Y74-A77 WeakPolarHBondContact O-CB 3.49Å; Y74-A77 PolarHBondContact O-N 3.24Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.07Å; A77-M79 PolarHBondContact O-N 3.32Å; A77-N80 PolarHBondContact O-N 2.99Å; A77-E81 PolarHBondContact O-N 2.85Å |
| 78 | M | 89.4 | Confident | 90.7 | Very high | 56 Ų | 56 | 77 Ų | 77 | 28% | 0.276 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 176.2 | -68 | 179.7 | 73.5 | 0 | 0 | 112.1 | L59 L63 Y74 L75 N80 E81 | L59-M78 HydrophobicContact CD1-CB 4.16Å; L59-M78 HydrophobicContact CD1-CE 4.4Å; L59-M78 HydrophobicContact CD2-CE 4.27Å; L63-M78 HydrophobicContact CD1-SD 4.36Å; Y74-M78 HydrophobicContact CD1-SD 3.96Å; Y74-M78 HydrophobicContact CE1-CG 4.27Å; Y74-M78 HydrophobicContact CE1-SD 3.35Å; Y74-M78 WeakPolarHBondContact CE1-SD 3.49Å; Y74-M78 WeakPolarHBondContact O-CG 3.32Å; Y74-M78 PolarHBondContact O-N 3.09Å; L75-M78 WeakPolarHBondContact O-CB 3.36Å; L75-M78 PolarHBondContact O-N 2.96Å; M78-N80 VanDerWaalsContact C-N 3.29Å; M78-N80 PolarHBondContact O-N 3.18Å; M78-E81 WeakPolarHBondContact O-CB 3.49Å; M78-E81 PolarHBondContact O-N 3.49Å |
| 79 | M | 91.3 | Very high | 90.7 | Very high | 46 Ų | 46 | 73.4 Ų | 73.4 | 23% | 0.227 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.6 | -33.7 | 178.4 | -69.1 | -53.7 | -64 | 0 | 0 | 112.4 | I54 K56 L59 L75 D76 A77 E81 A82 I86 | I54-M79 WeakPolarHBondContact O-CE 3.4Å; K56-M79 HydrophobicContact CB-CG 4.44Å; L59-M79 HydrophobicContact CD1-CG 4.16Å; L59-M79 HydrophobicContact CD1-SD 3.46Å; L59-M79 WeakPolarHBondContact CD1-SD 3.47Å; L59-M79 HydrophobicContact CG-SD 4.43Å; L75-M79 WeakPolarHBondContact O-CG 3.46Å; L75-M79 PolarHBondContact O-N 2.99Å; D76-M79 PolarHBondContact O-N 3.16Å; A77-M79 PolarHBondContact O-N 3.32Å; M79-E81 VanDerWaalsContact C-N 3.28Å; M79-E81 PolarHBondContact O-N 2.98Å; M79-A82 PolarHBondContact O-N 3.01Å; M79-I86 HydrophobicContact CE-CD1 3.85Å; M79-I86 HydrophobicContact CE-CG1 4.44Å; M79-I86 HydrophobicContact SD-CD1 3.96Å |
| 80 | N | 90.8 | Very high | 90.7 | Very high | 134 Ų | 134 | 68.7 Ų | 68.7 | 72% | 0.717 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -75.3 | -12.4 | 179 | -74.1 | -39.6 | 0 | 0 | 0 | 113.9 | D76 A77 M78 A82 | D76-N80 VanDerWaalsContact O-CB 3.29Å; D76-N80 WeakPolarHBondContact O-CB 3.32Å; D76-N80 PolarHBondContact O-N 2.88Å; D76-N80 PolarHBondContact O-ND2 3.08Å; A77-N80 PolarHBondContact O-N 2.99Å; M78-N80 VanDerWaalsContact C-N 3.29Å; M78-N80 PolarHBondContact O-N 3.18Å; N80-A82 PolarHBondContact O-N 3.15Å |
| 81 | E | 86 | Confident | 90.6 | Very high | 116 Ų | 116 | 68.4 Ų | 68.4 | 54% | 0.542 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -27.8 | 170 | -68.5 | -171.3 | -159.2 | 0 | 0 | 111.8 | A77 M78 M79 K98 | A77-E81 PolarHBondContact O-N 2.85Å; M78-E81 WeakPolarHBondContact O-CB 3.49Å; M78-E81 PolarHBondContact O-N 3.49Å; M79-E81 VanDerWaalsContact C-N 3.28Å; M79-E81 PolarHBondContact O-N 2.98Å; E81-K98 IonicContact OE2-NZ 3.09Å; E81-K98 PolarHBondContact OE2-NZ 3.5Å |
| 82 | A | 85.8 | Confident | 90.3 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 11% | 0.107 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -82.2 | 132.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | M79 N80 G84 I86 M94 | M79-A82 PolarHBondContact O-N 3.01Å; N80-A82 PolarHBondContact O-N 3.15Å; A82-G84 WeakPolarHBondContact CB-O 3.38Å; A82-G84 PolarHBondContact O-N 2.9Å; A82-I86 HydrophobicContact CB-CD1 3.73Å; A82-I86 HydrophobicContact CB-CG1 3.47Å; A82-I86 VanDerWaalsContact CB-CG1 3.47Å; A82-M94 VanDerWaalsContact CA-SD 3.55Å; A82-M94 HydrophobicContact CB-CE 3.98Å; A82-M94 HydrophobicContact CB-SD 3.62Å |
| 83 | P | 82.3 | Confident | 89.9 | Confident | 111 Ų | 111 | 60.6 Ų | 60.6 | 72% | 0.721 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -71.7 | 0.2 | 177.6 | 30.3 | -35.7 | 0 | 0 | 0 | 113.4 | M90 | P83-M90 HydrophobicContact CG-CE 4.15Å; P83-M90 HydrophobicContact CG-SD 3.89Å |
| 84 | G | 88.3 | Confident | 89.3 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 177.8 | -167.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A82 I86 | A82-G84 WeakPolarHBondContact CB-O 3.38Å; A82-G84 PolarHBondContact O-N 2.9Å; G84-I86 PolarHBondContact O-N 3.04Å |
| 85 | P | 90.5 | Very high | 88.8 | Confident | 97 Ų | 97 | 52.1 Ų | 52.1 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | trans | -56.1 | 132.3 | -178.6 | -25.4 | 34.4 | 0 | 0 | 0 | 112.9 | F53 N87 | F53-P85 HydrophobicContact CD1-CB 3.96Å; F53-P85 HydrophobicContact CE1-CB 4.11Å; P85-N87 PolarHBondContact O-N 3Å; P85-N87 VanDerWaalsContact O-N 3.11Å | ||
| 86 | I | 93.8 | Very high | 88 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 78.4 | -174.5 | -50.8 | 174.5 | 0 | 0 | 0 | 109.4 | F53 I54 M79 A82 G84 F91 M94 | F53-I86 CarbonylContact C-O 3.55Å; F53-I86 WeakPolarHBondContact CA-O 3.46Å; I54-I86 HydrophobicContact CB-CB 4.14Å; I54-I86 HydrophobicContact CB-CG2 4.13Å; I54-I86 HydrophobicContact CD1-CG2 4.15Å; I54-I86 PolarHBondContact N-O 3.23Å; M79-I86 HydrophobicContact CE-CD1 3.85Å; M79-I86 HydrophobicContact CE-CG1 4.44Å; M79-I86 HydrophobicContact SD-CD1 3.96Å; A82-I86 HydrophobicContact CB-CD1 3.73Å; A82-I86 HydrophobicContact CB-CG1 3.47Å; A82-I86 VanDerWaalsContact CB-CG1 3.47Å; G84-I86 PolarHBondContact O-N 3.04Å; I86-F91 HydrophobicContact CG2-CB 4.26Å; I86-F91 HydrophobicContact CG2-CD2 4.4Å; I86-M94 HydrophobicContact CD1-CE 4.04Å; I86-M94 HydrophobicContact CG1-CE 4.3Å; I86-M94 HydrophobicContact CG2-CE 4.21Å |
| 87 | N | 93.3 | Very high | 87.1 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 32% | 0.316 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 171.5 | 164 | 64.2 | 31.5 | 0 | 0 | 0 | 110.9 | G52 F53 P85 T89 M90 F91 | G52-N87 WeakPolarHBondContact O-CA 3.38Å; F53-N87 HydrophobicContact CD1-CB 3.8Å; F53-N87 HydrophobicContact CE1-CB 3.7Å; F53-N87 HydrophobicContact CZ-CB 4.35Å; P85-N87 PolarHBondContact O-N 3Å; P85-N87 VanDerWaalsContact O-N 3.11Å; N87-T89 PolarHBondContact O-N 3.24Å; N87-T89 VanDerWaalsContact O-N 3.09Å; N87-T89 PolarHBondContact OD1-N 3.08Å; N87-T89 VanDerWaalsContact OD1-N 3.16Å; N87-M90 PolarHBondContact O-N 2.92Å; N87-M90 PolarHBondContact OD1-N 3.03Å; N87-F91 PolarHBondContact O-N 3.28Å |
| 88 | F | 91.9 | Very high | 85.9 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 18% | 0.18 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.7 | -34.8 | -178.8 | -175 | -119.8 | 0 | 0 | 0 | 114.1 | F28 F39 K40 F43 F91 L92 | F28-F88 HydrophobicContact CE1-CE1 4.19Å; F39-F88 HydrophobicContact CB-CE2 4.21Å; F39-F88 HydrophobicContact CB-CZ 4.42Å; K40-F88 VanDerWaalsContact CA-CE2 3.47Å; K40-F88 HydrophobicContact CB-CE1 4.49Å; K40-F88 HydrophobicContact CB-CE2 4Å; K40-F88 HydrophobicContact CB-CZ 3.71Å; K40-F88 HydrophobicContact CG-CE2 4.46Å; K40-F88 HydrophobicContact CG-CZ 4.21Å; F43-F88 HydrophobicContact CB-CD2 3.69Å; F43-F88 HydrophobicContact CB-CE2 4.01Å; F43-F88 HydrophobicContact CD1-CB 4.39Å; F43-F88 HydrophobicContact CD1-CD2 4.2Å; F43-F88 HydrophobicContact CD2-CB 4.32Å; F43-F88 AromaticContact CD2-CD2 3.87Å; F43-F88 HydrophobicContact CD2-CD2 3.87Å; F43-F88 HydrophobicContact CE1-CB 4.34Å; F43-F88 HydrophobicContact CE2-CB 4.25Å; F43-F88 HydrophobicContact CG-CB 4.4Å; F43-F88 AromaticContact CG-CD2 3.64Å; F43-F88 HydrophobicContact CG-CD2 3.64Å; F43-F88 HydrophobicContact CG-CE2 4.45Å; F43-F88 HydrophobicContact CG-CG 4.47Å; F43-F88 HydrophobicContact CZ-CB 4.27Å; F88-F91 HydrophobicContact CD2-CD1 4.44Å; F88-F91 HydrophobicContact CE2-CD1 4.46Å; F88-F91 WeakPolarHBondContact O-CB 3.44Å; F88-F91 PolarHBondContact O-N 3.44Å; F88-L92 HydrophobicContact CD1-CD1 4.34Å; F88-L92 HydrophobicContact CE1-CD1 3.81Å; F88-L92 HydrophobicContact CE1-CG 4.33Å; F88-L92 HydrophobicContact CE2-CD2 4.37Å; F88-L92 HydrophobicContact CE2-CG 4.26Å; F88-L92 HydrophobicContact CZ-CD1 3.94Å; F88-L92 HydrophobicContact CZ-CD2 4.19Å; F88-L92 HydrophobicContact CZ-CG 4.07Å; F88-L92 WeakPolarHBondContact O-CG 2.84Å; F88-L92 PolarHBondContact O-N 3.3Å |
| 89 | T | 90.1 | Very high | 84.5 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | V27 F28 N87 F91 L92 T93 | V27-T89 HydrophobicContact CG1-CG2 4.23Å; F28-T89 HydrophobicContact CE2-CG2 4.25Å; N87-T89 PolarHBondContact O-N 3.24Å; N87-T89 VanDerWaalsContact O-N 3.09Å; N87-T89 PolarHBondContact OD1-N 3.08Å; N87-T89 VanDerWaalsContact OD1-N 3.16Å; T89-F91 VanDerWaalsContact C-N 3.34Å; T89-L92 PolarHBondContact O-N 3.36Å; T89-T93 PolarHBondContact O-N 3.42Å; T89-T93 PolarHBondContact O-OG1 3.4Å |
| 90 | M | 89.4 | Confident | 83 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 23% | 0.232 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 175.4 | -175.2 | 58.7 | 70.3 | 0 | 0 | 111.3 | P83 N87 L92 T93 M94 | P83-M90 HydrophobicContact CG-CE 4.15Å; P83-M90 HydrophobicContact CG-SD 3.89Å; N87-M90 PolarHBondContact O-N 2.92Å; N87-M90 PolarHBondContact OD1-N 3.03Å; M90-L92 PolarHBondContact O-N 2.95Å; M90-T93 CarbonylContact O-C 3.59Å; M90-T93 WeakPolarHBondContact O-CA 3.17Å; M90-T93 WeakPolarHBondContact O-CB 3.44Å; M90-T93 PolarHBondContact O-N 3.35Å; M90-M94 HydrophobicContact CG-CG 4.5Å; M90-M94 WeakPolarHBondContact O-CG 3.5Å; M90-M94 PolarHBondContact O-N 3.46Å |
| 91 | F | 88.9 | Confident | 81.6 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 5% | 0.053 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.9 | -50.7 | 173.1 | -175.4 | -99.4 | 0 | 0 | 0 | 110.8 | F39 F43 I46 I54 I86 N87 F88 T89 T93 M94 F95 | F39-F91 HydrophobicContact CB-CE1 4.27Å; F39-F91 HydrophobicContact CD1-CE1 4.08Å; F43-F91 HydrophobicContact CB-CD1 4.39Å; F43-F91 HydrophobicContact CB-CE1 4.34Å; F43-F91 HydrophobicContact CD2-CB 3.83Å; F43-F91 HydrophobicContact CD2-CD1 4.06Å; F43-F91 HydrophobicContact CD2-CD2 4.04Å; F43-F91 AromaticContact CD2-CG 3.74Å; F43-F91 HydrophobicContact CD2-CG 3.74Å; F43-F91 HydrophobicContact CE2-CB 4.08Å; F43-F91 HydrophobicContact CE2-CG 4.4Å; I46-F91 HydrophobicContact CD1-CE2 3.95Å; I46-F91 HydrophobicContact CD1-CZ 4.2Å; I54-F91 HydrophobicContact CD1-CD2 3.88Å; I54-F91 HydrophobicContact CD1-CE2 4.11Å; I86-F91 HydrophobicContact CG2-CB 4.26Å; I86-F91 HydrophobicContact CG2-CD2 4.4Å; N87-F91 PolarHBondContact O-N 3.28Å; F88-F91 HydrophobicContact CD2-CD1 4.44Å; F88-F91 HydrophobicContact CE2-CD1 4.46Å; F88-F91 WeakPolarHBondContact O-CB 3.44Å; F88-F91 PolarHBondContact O-N 3.44Å; T89-F91 VanDerWaalsContact C-N 3.34Å; F91-T93 VanDerWaalsContact C-N 3.28Å; F91-T93 PolarHBondContact O-N 2.68Å; F91-M94 PolarHBondContact O-N 3.41Å; F91-F95 HydrophobicContact CD1-CD2 4.1Å; F91-F95 HydrophobicContact CD1-CE2 4.29Å; F91-F95 HydrophobicContact CD2-CD2 4.34Å; F91-F95 HydrophobicContact CD2-CE2 4.02Å; F91-F95 AromaticContact CE1-CD2 3.91Å; F91-F95 HydrophobicContact CE1-CD2 3.91Å; F91-F95 AromaticContact CE1-CE2 3.76Å; F91-F95 HydrophobicContact CE1-CE2 3.76Å; F91-F95 HydrophobicContact CE2-CD2 4.17Å; F91-F95 AromaticContact CE2-CE2 3.47Å; F91-F95 HydrophobicContact CE2-CE2 3.47Å; F91-F95 VanDerWaalsContact CE2-CE2 3.47Å; F91-F95 HydrophobicContact CE2-CZ 4.41Å; F91-F95 HydrophobicContact CG-CD2 4.32Å; F91-F95 HydrophobicContact CG-CE2 4.41Å; F91-F95 AromaticContact CZ-CD2 3.95Å; F91-F95 HydrophobicContact CZ-CD2 3.95Å; F91-F95 AromaticContact CZ-CE2 3.32Å; F91-F95 HydrophobicContact CZ-CE2 3.32Å; F91-F95 HydrophobicContact CZ-CZ 4.08Å; F91-F95 WeakPolarHBondContact O-CD2 3.33Å; F91-F95 PolarHBondContact O-N 3.31Å |
| 92 | L | 87.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 173.1 | -70.5 | -180 | 0 | 0 | 0 | 112.8 | V27 F28 F31 F39 F88 T89 M90 G96 | V27-L92 HydrophobicContact CG1-CB 4.37Å; V27-L92 HydrophobicContact CG2-CB 4.02Å; V27-L92 WeakPolarHBondContact CG2-O 3.39Å; F28-L92 HydrophobicContact CD1-CD1 3.74Å; F28-L92 HydrophobicContact CE1-CD1 3.28Å; F28-L92 HydrophobicContact CE2-CD1 4.31Å; F28-L92 HydrophobicContact CG-CD1 4.43Å; F28-L92 HydrophobicContact CZ-CD1 3.62Å; F31-L92 HydrophobicContact CD2-CD2 4.33Å; F31-L92 HydrophobicContact CE2-CB 4.41Å; F31-L92 HydrophobicContact CE2-CD2 4.31Å; F39-L92 HydrophobicContact CB-CD2 3.59Å; F39-L92 HydrophobicContact CD2-CD2 3.54Å; F39-L92 HydrophobicContact CE2-CD2 4.4Å; F39-L92 HydrophobicContact CG-CD2 3.69Å; F88-L92 HydrophobicContact CD1-CD1 4.34Å; F88-L92 HydrophobicContact CE1-CD1 3.81Å; F88-L92 HydrophobicContact CE1-CG 4.33Å; F88-L92 HydrophobicContact CE2-CD2 4.37Å; F88-L92 HydrophobicContact CE2-CG 4.26Å; F88-L92 HydrophobicContact CZ-CD1 3.94Å; F88-L92 HydrophobicContact CZ-CD2 4.19Å; F88-L92 HydrophobicContact CZ-CG 4.07Å; F88-L92 WeakPolarHBondContact O-CG 2.84Å; F88-L92 PolarHBondContact O-N 3.3Å; T89-L92 PolarHBondContact O-N 3.36Å; M90-L92 PolarHBondContact O-N 2.95Å; L92-G96 VanDerWaalsContact O-CA 3.28Å; L92-G96 WeakPolarHBondContact O-CA 3.28Å; L92-G96 PolarHBondContact O-N 3.45Å |
| 93 | T | 84.4 | Confident | 80.3 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 17% | 0.172 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.6 | -41 | 176.1 | -64 | 0 | 0 | 0 | 0 | 111.8 | T89 M90 F91 G96 E97 | T89-T93 PolarHBondContact O-N 3.42Å; T89-T93 PolarHBondContact O-OG1 3.4Å; M90-T93 CarbonylContact O-C 3.59Å; M90-T93 WeakPolarHBondContact O-CA 3.17Å; M90-T93 WeakPolarHBondContact O-CB 3.44Å; M90-T93 PolarHBondContact O-N 3.35Å; F91-T93 VanDerWaalsContact C-N 3.28Å; F91-T93 PolarHBondContact O-N 2.68Å; T93-G96 CarbonylContact O-C 3.44Å; T93-G96 PolarHBondContact O-N 2.89Å; T93-E97 HydrophobicContact CG2-CG 4.22Å; T93-E97 WeakPolarHBondContact O-CB 3.27Å; T93-E97 WeakPolarHBondContact O-CG 3.36Å; T93-E97 PolarHBondContact O-N 3.04Å |
| 94 | M | 83.6 | Confident | 80.2 | Confident | 29 Ų | 29 | 59 Ų | 59 | 14% | 0.143 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.3 | -67.6 | -148.4 | -65.9 | 0 | 0 | 112.1 | A82 I86 M90 F91 K98 | A82-M94 VanDerWaalsContact CA-SD 3.55Å; A82-M94 HydrophobicContact CB-CE 3.98Å; A82-M94 HydrophobicContact CB-SD 3.62Å; I86-M94 HydrophobicContact CD1-CE 4.04Å; I86-M94 HydrophobicContact CG1-CE 4.3Å; I86-M94 HydrophobicContact CG2-CE 4.21Å; M90-M94 HydrophobicContact CG-CG 4.5Å; M90-M94 WeakPolarHBondContact O-CG 3.5Å; M90-M94 PolarHBondContact O-N 3.46Å; F91-M94 PolarHBondContact O-N 3.41Å; M94-K98 WeakPolarHBondContact O-CB 3.14Å; M94-K98 WeakPolarHBondContact O-CD 3.5Å; M94-K98 WeakPolarHBondContact O-CG 3.24Å; M94-K98 PolarHBondContact O-N 3.03Å |
| 95 | F | 79.8 | Confident | 80 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 36% | 0.36 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 172 | -83.4 | -85.3 | 0 | 0 | 0 | 111.4 | F31 F39 F91 K98 L99 | F31-F95 HydrophobicContact CZ-CB 4.41Å; F39-F95 HydrophobicContact CD1-CD1 4.49Å; F39-F95 HydrophobicContact CD1-CD2 4.49Å; F39-F95 HydrophobicContact CD1-CG 4.28Å; F39-F95 HydrophobicContact CE1-CB 3.98Å; F39-F95 AromaticContact CE1-CD1 3.61Å; F39-F95 HydrophobicContact CE1-CD1 3.61Å; F39-F95 HydrophobicContact CE1-CD2 4.31Å; F39-F95 HydrophobicContact CE1-CE1 4.16Å; F39-F95 AromaticContact CE1-CG 3.69Å; F39-F95 HydrophobicContact CE1-CG 3.69Å; F39-F95 HydrophobicContact CZ-CB 4.12Å; F39-F95 HydrophobicContact CZ-CD1 4.24Å; F39-F95 HydrophobicContact CZ-CG 4.29Å; F91-F95 HydrophobicContact CD1-CD2 4.1Å; F91-F95 HydrophobicContact CD1-CE2 4.29Å; F91-F95 HydrophobicContact CD2-CD2 4.34Å; F91-F95 HydrophobicContact CD2-CE2 4.02Å; F91-F95 AromaticContact CE1-CD2 3.91Å; F91-F95 HydrophobicContact CE1-CD2 3.91Å; F91-F95 AromaticContact CE1-CE2 3.76Å; F91-F95 HydrophobicContact CE1-CE2 3.76Å; F91-F95 HydrophobicContact CE2-CD2 4.17Å; F91-F95 AromaticContact CE2-CE2 3.47Å; F91-F95 HydrophobicContact CE2-CE2 3.47Å; F91-F95 VanDerWaalsContact CE2-CE2 3.47Å; F91-F95 HydrophobicContact CE2-CZ 4.41Å; F91-F95 HydrophobicContact CG-CD2 4.32Å; F91-F95 HydrophobicContact CG-CE2 4.41Å; F91-F95 AromaticContact CZ-CD2 3.95Å; F91-F95 HydrophobicContact CZ-CD2 3.95Å; F91-F95 AromaticContact CZ-CE2 3.32Å; F91-F95 HydrophobicContact CZ-CE2 3.32Å; F91-F95 HydrophobicContact CZ-CZ 4.08Å; F91-F95 WeakPolarHBondContact O-CD2 3.33Å; F91-F95 PolarHBondContact O-N 3.31Å; F95-K98 PolarHBondContact O-N 3.49Å; F95-L99 VanDerWaalsContact O-CB 3.24Å; F95-L99 WeakPolarHBondContact O-CB 3.36Å; F95-L99 WeakPolarHBondContact O-CD1 3.27Å; F95-L99 WeakPolarHBondContact O-CG 3.23Å; F95-L99 PolarHBondContact O-N 2.71Å |
| 96 | G | 76.7 | Confident | 79.8 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.8 | -61.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | F31 L92 T93 K98 L99 N100 | F31-G96 VanDerWaalsContact CZ-CA 3.48Å; L92-G96 VanDerWaalsContact O-CA 3.28Å; L92-G96 WeakPolarHBondContact O-CA 3.28Å; L92-G96 PolarHBondContact O-N 3.45Å; T93-G96 CarbonylContact O-C 3.44Å; T93-G96 PolarHBondContact O-N 2.89Å; G96-K98 VanDerWaalsContact C-N 3.3Å; G96-K98 PolarHBondContact O-N 3.38Å; G96-L99 CarbonylContact O-C 3.58Å; G96-L99 WeakPolarHBondContact O-CA 3.42Å; G96-L99 PolarHBondContact O-N 3.44Å; G96-N100 WeakPolarHBondContact O-CA 3.42Å; G96-N100 WeakPolarHBondContact O-CB 3.45Å; G96-N100 PolarHBondContact O-N 2.85Å |
| 97 | E | 72.8 | Confident | 79.5 | Confident | 131 Ų | 131 | 62.7 Ų | 62.7 | 61% | 0.612 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.6 | -38.2 | -179.3 | -70.5 | 177.1 | 170.5 | 0 | 0 | 113.1 | T93 L99 | T93-E97 HydrophobicContact CG2-CG 4.22Å; T93-E97 WeakPolarHBondContact O-CB 3.27Å; T93-E97 WeakPolarHBondContact O-CG 3.36Å; T93-E97 PolarHBondContact O-N 3.04Å; E97-L99 VanDerWaalsContact C-N 3.31Å; E97-L99 PolarHBondContact O-N 3.34Å |
| 98 | K | 67.3 | Low | 79.3 | Confident | 142 Ų | 142 | 61 Ų | 61 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.1 | -29.8 | 174.2 | -75.2 | 168.2 | 177.2 | 178.7 | 0 | 112.8 | E81 M94 F95 G96 | E81-K98 IonicContact OE2-NZ 3.09Å; E81-K98 PolarHBondContact OE2-NZ 3.5Å; M94-K98 WeakPolarHBondContact O-CB 3.14Å; M94-K98 WeakPolarHBondContact O-CD 3.5Å; M94-K98 WeakPolarHBondContact O-CG 3.24Å; M94-K98 PolarHBondContact O-N 3.03Å; F95-K98 PolarHBondContact O-N 3.49Å; G96-K98 VanDerWaalsContact C-N 3.3Å; G96-K98 PolarHBondContact O-N 3.38Å |
| 99 | L | 60.9 | Low | 79.3 | Confident | 81 Ų | 81 | 62.7 Ų | 62.7 | 42% | 0.424 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -96.5 | -21.5 | 179.5 | -66.1 | 169.4 | 0 | 0 | 0 | 113.9 | F31 F39 F95 G96 E97 T102 | F31-L99 HydrophobicContact CE1-CD1 3.73Å; F31-L99 HydrophobicContact CZ-CD1 4.23Å; F39-L99 HydrophobicContact CZ-CD1 4.2Å; F95-L99 VanDerWaalsContact O-CB 3.24Å; F95-L99 WeakPolarHBondContact O-CB 3.36Å; F95-L99 WeakPolarHBondContact O-CD1 3.27Å; F95-L99 WeakPolarHBondContact O-CG 3.23Å; F95-L99 PolarHBondContact O-N 2.71Å; G96-L99 CarbonylContact O-C 3.58Å; G96-L99 WeakPolarHBondContact O-CA 3.42Å; G96-L99 PolarHBondContact O-N 3.44Å; E97-L99 VanDerWaalsContact C-N 3.31Å; E97-L99 PolarHBondContact O-N 3.34Å; L99-T102 PolarHBondContact O-OG1 2.64Å |
| 100 | N | 59.8 | Low | 79.3 | Confident | 89 Ų | 89 | 64 Ų | 64 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 10.7 | -167.5 | -163.3 | 65.8 | 0 | 0 | 0 | 112.5 | M30 G96 T102 | M30-N100 WeakPolarHBondContact CE-ND2 3.19Å; M30-N100 HydrophobicContact SD-CB 4Å; M30-N100 VanDerWaalsContact SD-CG 3.52Å; G96-N100 WeakPolarHBondContact O-CA 3.42Å; G96-N100 WeakPolarHBondContact O-CB 3.45Å; G96-N100 PolarHBondContact O-N 2.85Å; N100-T102 VanDerWaalsContact C-N 3.26Å |
| 101 | G | 60.2 | Low | 79.3 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 77% | 0.773 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 102 | T | 65.6 | Low | 79.5 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 28% | 0.282 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -116.4 | 132.8 | -177.1 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | L99 N100 L168 K169 | L99-T102 PolarHBondContact O-OG1 2.64Å; N100-T102 VanDerWaalsContact C-N 3.26Å; T102-L168 HydrophobicContact CG2-CD1 4.48Å; T102-L168 HydrophobicContact CG2-CD2 4.46Å; T102-L168 HydrophobicContact CG2-CG 4.31Å; T102-K169 PolarHBondContact O-NZ 3.02Å; T102-K169 WeakPolarHBondContact OG1-CD 3.44Å; T102-K169 PolarHBondContact OG1-NZ 2.75Å |
| 103 | D | 79.7 | Confident | 79.8 | Confident | 103 Ų | 103 | 67.6 Ų | 67.6 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | trans | -57.7 | 163.5 | 174.1 | -76.9 | -49.9 | 0 | 0 | 0 | 112 | V107 I108 K169 | D103-V107 HydrophobicContact CB-CB 4.06Å; D103-V107 HydrophobicContact CB-CG1 3.87Å; D103-I108 HydrophobicContact CB-CD1 4.26Å; D103-I108 HydrophobicContact CB-CG1 3.73Å; D103-I108 VanDerWaalsContact O-CD1 3.23Å; D103-I108 WeakPolarHBondContact O-CD1 3.48Å; D103-K169 WeakPolarHBondContact O-CD 3.42Å; D103-K169 WeakPolarHBondContact O-CE 3.41Å; D103-K169 PolarHBondContact O-NZ 3.26Å | ||
| 104 | P | 80.8 | Confident | 80.1 | Confident | 76 Ų | 76 | 71.2 Ų | 71.2 | 49% | 0.494 | 40% | 0.402 | S | S | . | . | trans | -54.8 | 147.8 | 171.3 | -24.3 | 33.6 | 0 | 0 | 0 | 111.8 | D106 V107 I108 | P104-D106 VanDerWaalsContact C-N 3.26Å; P104-D106 PolarHBondContact O-N 2.91Å; P104-V107 HydrophobicContact CB-CB 4.46Å; P104-V107 HydrophobicContact CB-CG2 4.09Å; P104-V107 HydrophobicContact CG-CG2 4.06Å; P104-V107 WeakPolarHBondContact O-CA 3.49Å; P104-V107 WeakPolarHBondContact O-CB 3.33Å; P104-V107 PolarHBondContact O-N 3.27Å; P104-I108 PolarHBondContact O-N 3.04Å | ||
| 105 | E | 84.4 | Confident | 80.4 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 25% | 0.248 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -51.4 | -44.9 | -179.2 | 170.9 | 166.3 | 178.2 | 0 | 0 | 112.2 | V107 I108 R109 T165 K169 H170 | E105-V107 VanDerWaalsContact C-N 3.28Å; E105-V107 PolarHBondContact O-N 3.42Å; E105-I108 PolarHBondContact O-N 3.14Å; E105-R109 VanDerWaalsContact O-CB 3.27Å; E105-R109 WeakPolarHBondContact O-CB 3.49Å; E105-R109 PolarHBondContact O-N 2.96Å; E105-T165 HydrophobicContact CB-CG2 4.03Å; E105-T165 HydrophobicContact CG-CG2 3.65Å; E105-K169 HydrophobicContact CB-CG 4.2Å; E105-H170 IonicContact OE2-CD2 3.02Å; E105-H170 IonicContact OE2-NE2 2.86Å |
| 106 | D | 85.8 | Confident | 81 | Confident | 87 Ų | 87 | 70.3 Ų | 70.3 | 47% | 0.465 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -33.7 | 178.6 | -68.3 | -42.4 | 0 | 0 | 0 | 112.8 | P104 R109 N110 | P104-D106 VanDerWaalsContact C-N 3.26Å; P104-D106 PolarHBondContact O-N 2.91Å; D106-R109 IonicContact OD1-CZ 3.19Å; D106-R109 IonicContact OD1-NH1 3.03Å; D106-R109 PolarHBondContact OD1-NH1 3.06Å; D106-R109 IonicContact OD1-NH2 2.72Å; D106-R109 PolarHBondContact OD1-NH2 3.03Å; D106-N110 WeakPolarHBondContact O-CB 3.43Å; D106-N110 PolarHBondContact O-N 3.47Å; D106-N110 PolarHBondContact O-ND2 3.36Å; D106-N110 VanDerWaalsContact O-ND2 3.08Å; D106-N110 PolarHBondContact O-OD1 2.96Å |
| 107 | V | 87.4 | Confident | 81.5 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.7 | -46.2 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | D103 P104 E105 N110 A111 | D103-V107 HydrophobicContact CB-CB 4.06Å; D103-V107 HydrophobicContact CB-CG1 3.87Å; P104-V107 HydrophobicContact CB-CB 4.46Å; P104-V107 HydrophobicContact CB-CG2 4.09Å; P104-V107 HydrophobicContact CG-CG2 4.06Å; P104-V107 WeakPolarHBondContact O-CA 3.49Å; P104-V107 WeakPolarHBondContact O-CB 3.33Å; P104-V107 PolarHBondContact O-N 3.27Å; E105-V107 VanDerWaalsContact C-N 3.28Å; E105-V107 PolarHBondContact O-N 3.42Å; V107-N110 PolarHBondContact O-N 2.99Å; V107-A111 PolarHBondContact O-N 3.41Å |
| 108 | I | 88.6 | Confident | 82.4 | Confident | 22 Ų | 22 | 81.6 Ų | 81.6 | 11% | 0.113 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 177.4 | -59.5 | 172.5 | 0 | 0 | 0 | 110.2 | D103 P104 E105 N110 A111 F112 T165 L168 K169 | D103-I108 HydrophobicContact CB-CD1 4.26Å; D103-I108 HydrophobicContact CB-CG1 3.73Å; D103-I108 VanDerWaalsContact O-CD1 3.23Å; D103-I108 WeakPolarHBondContact O-CD1 3.48Å; P104-I108 PolarHBondContact O-N 3.04Å; E105-I108 PolarHBondContact O-N 3.14Å; I108-N110 VanDerWaalsContact C-N 3.33Å; I108-N110 PolarHBondContact O-N 3.49Å; I108-A111 WeakPolarHBondContact O-CB 3.29Å; I108-A111 PolarHBondContact O-N 2.62Å; I108-A111 VanDerWaalsContact O-N 3.13Å; I108-F112 HydrophobicContact CG2-CD2 4.05Å; I108-F112 HydrophobicContact CG2-CE2 3.82Å; I108-F112 WeakPolarHBondContact O-CD2 3.44Å; I108-F112 PolarHBondContact O-N 2.77Å; I108-F112 VanDerWaalsContact O-N 3.14Å; I108-T165 HydrophobicContact CB-CG2 3.64Å; I108-T165 HydrophobicContact CD1-CG2 4.26Å; I108-T165 HydrophobicContact CG2-CG2 3.69Å; I108-L168 HydrophobicContact CD1-CD2 4.07Å; I108-K169 HydrophobicContact CD1-CD 4.25Å |
| 109 | R | 91.1 | Very high | 83.6 | Confident | 78 Ų | 78 | 78.8 Ų | 78.8 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 177 | -171.6 | -177.4 | 69.3 | -133.5 | -8.8 | 111.4 | E105 D106 A111 F112 A113 Y161 | E105-R109 VanDerWaalsContact O-CB 3.27Å; E105-R109 WeakPolarHBondContact O-CB 3.49Å; E105-R109 PolarHBondContact O-N 2.96Å; D106-R109 IonicContact OD1-CZ 3.19Å; D106-R109 IonicContact OD1-NH1 3.03Å; D106-R109 PolarHBondContact OD1-NH1 3.06Å; D106-R109 IonicContact OD1-NH2 2.72Å; D106-R109 PolarHBondContact OD1-NH2 3.03Å; R109-A111 VanDerWaalsContact C-N 3.28Å; R109-A111 PolarHBondContact O-N 3.27Å; R109-F112 PolarHBondContact O-N 3.13Å; R109-A113 WeakPolarHBondContact O-CB 3.48Å; R109-A113 PolarHBondContact O-N 2.86Å; R109-Y161 HydrophobicContact CG-CD2 4.07Å; R109-Y161 HydrophobicContact CG-CE2 3.82Å |
| 110 | N | 90.2 | Very high | 85.2 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.8 | -32.5 | 177.9 | -70.1 | -14.2 | 0 | 0 | 0 | 112 | D106 V107 I108 A113 C114 | D106-N110 WeakPolarHBondContact O-CB 3.43Å; D106-N110 PolarHBondContact O-N 3.47Å; D106-N110 PolarHBondContact O-ND2 3.36Å; D106-N110 VanDerWaalsContact O-ND2 3.08Å; D106-N110 PolarHBondContact O-OD1 2.96Å; V107-N110 PolarHBondContact O-N 2.99Å; I108-N110 VanDerWaalsContact C-N 3.33Å; I108-N110 PolarHBondContact O-N 3.49Å; N110-A113 PolarHBondContact O-N 3.21Å; N110-C114 PolarHBondContact O-N 2.75Å; N110-C114 PolarHBondContact O-SG 3.46Å |
| 111 | A | 90.9 | Very high | 86.8 | Confident | 55 Ų | 55 | 74.4 Ų | 74.4 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V107 I108 R109 C114 F115 | V107-A111 PolarHBondContact O-N 3.41Å; I108-A111 WeakPolarHBondContact O-CB 3.29Å; I108-A111 PolarHBondContact O-N 2.62Å; I108-A111 VanDerWaalsContact O-N 3.13Å; R109-A111 VanDerWaalsContact C-N 3.28Å; R109-A111 PolarHBondContact O-N 3.27Å; A111-C114 WeakPolarHBondContact O-CB 3.46Å; A111-C114 PolarHBondContact O-N 3.45Å; A111-F115 WeakPolarHBondContact O-CD2 3.39Å |
| 112 | F | 92.9 | Very high | 88.5 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 17% | 0.167 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 173.2 | -76.5 | -68.4 | 0 | 0 | 0 | 112.6 | I108 R109 C114 F115 I123 L128 F159 Y161 F164 | I108-F112 HydrophobicContact CG2-CD2 4.05Å; I108-F112 HydrophobicContact CG2-CE2 3.82Å; I108-F112 WeakPolarHBondContact O-CD2 3.44Å; I108-F112 PolarHBondContact O-N 2.77Å; I108-F112 VanDerWaalsContact O-N 3.14Å; R109-F112 PolarHBondContact O-N 3.13Å; F112-C114 PolarHBondContact O-N 3.03Å; F112-C114 VanDerWaalsContact O-N 3.11Å; F112-F115 PolarHBondContact O-N 3.26Å; F112-I123 HydrophobicContact CB-CD1 4.03Å; F112-I123 HydrophobicContact CD1-CD1 3.73Å; F112-I123 HydrophobicContact CG-CD1 4.34Å; F112-L128 HydrophobicContact CE1-CD1 3.99Å; F112-F159 HydrophobicContact CD1-CE1 4.36Å; F112-F159 AromaticContact CE1-CE1 3.93Å; F112-F159 HydrophobicContact CE1-CE1 3.93Å; F112-F159 HydrophobicContact CZ-CE1 4.12Å; F112-F159 HydrophobicContact CZ-CZ 4.39Å; F112-Y161 HydrophobicContact CB-CD1 4.04Å; F112-Y161 HydrophobicContact CB-CD2 3.51Å; F112-Y161 HydrophobicContact CB-CE2 4.06Å; F112-Y161 HydrophobicContact CB-CG 3.51Å; F112-Y161 HydrophobicContact CD2-CD2 4.49Å; F112-Y161 HydrophobicContact CD2-CG 4.43Å; F112-Y161 HydrophobicContact CG-CD2 4.26Å; F112-Y161 AromaticContact CG-CG 4Å; F112-Y161 HydrophobicContact CG-CG 4Å; F112-F164 HydrophobicContact CE2-CD1 4.25Å; F112-F164 HydrophobicContact CE2-CE1 4.49Å; F112-F164 HydrophobicContact CZ-CD1 4.4Å; F112-F164 HydrophobicContact CZ-CE1 4.42Å |
| 113 | A | 92.9 | Very high | 89.9 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 33% | 0.331 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.7 | -23.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | R109 N110 F115 D116 | R109-A113 WeakPolarHBondContact O-CB 3.48Å; R109-A113 PolarHBondContact O-N 2.86Å; N110-A113 PolarHBondContact O-N 3.21Å; A113-F115 PolarHBondContact O-N 3.09Å; A113-D116 PolarHBondContact O-N 3.37Å |
| 114 | C | 90.6 | Very high | 90.7 | Very high | 105 Ų | 105 | 69.9 Ų | 69.9 | 71% | 0.709 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.3 | 171.9 | -69.8 | 0 | 0 | 0 | 0 | 113.9 | N110 A111 F112 | N110-C114 PolarHBondContact O-N 2.75Å; N110-C114 PolarHBondContact O-SG 3.46Å; A111-C114 WeakPolarHBondContact O-CB 3.46Å; A111-C114 PolarHBondContact O-N 3.45Å; F112-C114 PolarHBondContact O-N 3.03Å; F112-C114 VanDerWaalsContact O-N 3.11Å |
| 115 | F | 89.5 | Confident | 91.4 | Very high | 80 Ų | 80 | 69.2 Ų | 69.2 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -0.6 | 179.9 | -57.2 | -74.7 | 0 | 0 | 0 | 113.3 | A111 F112 A113 I123 Y127 L131 | A111-F115 WeakPolarHBondContact O-CD2 3.39Å; F112-F115 PolarHBondContact O-N 3.26Å; A113-F115 PolarHBondContact O-N 3.09Å; F115-I123 HydrophobicContact CB-CD1 4.13Å; F115-Y127 HydrophobicContact CB-CE1 4.11Å; F115-L131 HydrophobicContact CB-CD1 3.99Å; F115-L131 HydrophobicContact CD1-CD1 3.45Å; F115-L131 VanDerWaalsContact CD1-CD1 3.45Å; F115-L131 HydrophobicContact CD1-CD2 3.87Å; F115-L131 HydrophobicContact CD1-CG 4.32Å; F115-L131 HydrophobicContact CD2-CD1 4.12Å; F115-L131 HydrophobicContact CE1-CD1 3.87Å; F115-L131 HydrophobicContact CE1-CD2 3.68Å; F115-L131 HydrophobicContact CE1-CG 4.4Å; F115-L131 HydrophobicContact CE2-CD1 4.48Å; F115-L131 HydrophobicContact CG-CD1 3.58Å; F115-L131 HydrophobicContact CZ-CD1 4.36Å; F115-L131 HydrophobicContact CZ-CD2 4.46Å |
| 116 | D | 92.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.064 | 40% | 0.398 | C | S | . | . | trans | -114.3 | 78.4 | 178.1 | 174.4 | 21.6 | 0 | 0 | 0 | 108.8 | A113 E118 A119 T120 G121 I123 Y161 | A113-D116 PolarHBondContact O-N 3.37Å; D116-E118 PolarHBondContact O-N 2.94Å; D116-E118 VanDerWaalsContact O-N 3.15Å; D116-A119 PolarHBondContact O-N 2.94Å; D116-A119 PolarHBondContact OD1-N 3.28Å; D116-A119 VanDerWaalsContact OD2-C 3.29Å; D116-A119 WeakPolarHBondContact OD2-CA 3.46Å; D116-T120 VanDerWaalsContact CG-N 3.29Å; D116-T120 PolarHBondContact OD1-N 3.38Å; D116-T120 PolarHBondContact OD1-OG1 2.99Å; D116-T120 PolarHBondContact OD2-N 3.48Å; D116-T120 PolarHBondContact OD2-OG1 3.45Å; D116-G121 PolarHBondContact OD2-N 3.46Å; D116-I123 HydrophobicContact CB-CG1 4.26Å; D116-Y161 HydrophobicContact CB-CE1 3.89Å; D116-Y161 WeakPolarHBondContact OD2-CE1 3.47Å; D116-Y161 PolarHBondContact OD2-OH 3.48Å | ||
| 117 | E | 88.8 | Confident | 92.2 | Very high | 198 Ų | 198 | 72.8 Ų | 72.8 | 93% | 0.925 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.4 | -175.7 | -65.2 | -173.2 | 175.9 | 0 | 0 | 113 | A119 | E117-A119 VanDerWaalsContact C-N 3.34Š|
| 118 | E | 91.6 | Very high | 92.5 | Very high | 171 Ų | 171 | 69.7 Ų | 69.7 | 80% | 0.799 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.9 | -179.5 | -68 | -171.4 | 176.1 | 0 | 0 | 113.1 | D116 T120 | D116-E118 PolarHBondContact O-N 2.94Å; D116-E118 VanDerWaalsContact O-N 3.15Å; E118-T120 HydrophobicContact CB-CG2 3.71Å; E118-T120 PolarHBondContact O-N 2.67Å |
| 119 | A | 91.3 | Very high | 92.8 | Very high | 82 Ų | 82 | 71.2 Ų | 71.2 | 68% | 0.678 | 38% | 0.379 | S | S | * | . | trans | 50.8 | 39.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | D116 E117 G121 | D116-A119 PolarHBondContact O-N 2.94Å; D116-A119 PolarHBondContact OD1-N 3.28Å; D116-A119 VanDerWaalsContact OD2-C 3.29Å; D116-A119 WeakPolarHBondContact OD2-CA 3.46Å; E117-A119 VanDerWaalsContact C-N 3.34Å; A119-G121 PolarHBondContact O-N 2.98Å | ||
| 120 | T | 94.2 | Very high | 92.9 | Very high | 74 Ų | 74 | 72.9 Ų | 72.9 | 45% | 0.454 | 39% | 0.391 | S | S | . | . | trans | -70.2 | -19.8 | -179.8 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | D116 E118 T122 | D116-T120 VanDerWaalsContact CG-N 3.29Å; D116-T120 PolarHBondContact OD1-N 3.38Å; D116-T120 PolarHBondContact OD1-OG1 2.99Å; D116-T120 PolarHBondContact OD2-N 3.48Å; D116-T120 PolarHBondContact OD2-OG1 3.45Å; E118-T120 HydrophobicContact CB-CG2 3.71Å; E118-T120 PolarHBondContact O-N 2.67Å; T120-T122 VanDerWaalsContact C-N 3.27Å; T120-T122 PolarHBondContact OG1-N 3.38Å; T120-T122 VanDerWaalsContact OG1-N 3.11Å; T120-T122 PolarHBondContact OG1-O 3.09Å; T120-T122 VanDerWaalsContact OG1-O 3.05Å; T120-T122 PolarHBondContact OG1-OG1 2.95Å | ||
| 121 | G | 94 | Very high | 92.9 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 82.1 | 6.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D116 A119 N160 Y161 | D116-G121 PolarHBondContact OD2-N 3.46Å; A119-G121 PolarHBondContact O-N 2.98Å; G121-N160 PolarHBondContact O-OD1 3.43Å; G121-Y161 WeakPolarHBondContact CA-OH 3.38Å; G121-Y161 WeakPolarHBondContact O-CD1 3.35Å; G121-Y161 WeakPolarHBondContact O-CE1 3.35Å; G121-Y161 PolarHBondContact O-N 3.39Å |
| 122 | T | 95.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 68.3 Ų | 68.3 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 151.8 | -177 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | T120 N158 F159 N160 Y161 | T120-T122 VanDerWaalsContact C-N 3.27Å; T120-T122 PolarHBondContact OG1-N 3.38Å; T120-T122 VanDerWaalsContact OG1-N 3.11Å; T120-T122 PolarHBondContact OG1-O 3.09Å; T120-T122 VanDerWaalsContact OG1-O 3.05Å; T120-T122 PolarHBondContact OG1-OG1 2.95Å; T122-N158 HydrophobicContact CG2-CB 4.33Å; T122-F159 CarbonylContact C-O 3.53Å; T122-F159 WeakPolarHBondContact CA-O 3.45Å; T122-N160 HydrophobicContact CG2-CB 4.46Å; T122-Y161 VanDerWaalsContact N-CE1 3.31Å |
| 123 | I | 95.6 | Very high | 93 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 143.1 | 173.8 | -62.4 | 167.4 | 0 | 0 | 0 | 107.8 | F112 F115 D116 Y127 L128 F159 Y161 | F112-I123 HydrophobicContact CB-CD1 4.03Å; F112-I123 HydrophobicContact CD1-CD1 3.73Å; F112-I123 HydrophobicContact CG-CD1 4.34Å; F115-I123 HydrophobicContact CB-CD1 4.13Å; D116-I123 HydrophobicContact CB-CG1 4.26Å; I123-Y127 HydrophobicContact CG2-CD1 3.84Å; I123-L128 HydrophobicContact CG2-CB 4.09Å; I123-F159 PolarHBondContact N-O 3.31Å; I123-F159 WeakPolarHBondContact O-CB 3.41Å; I123-F159 PolarHBondContact O-N 2.84Å; I123-Y161 HydrophobicContact CD1-CD1 3.89Å; I123-Y161 HydrophobicContact CD1-CE1 4.32Å; I123-Y161 HydrophobicContact CG1-CD1 3.85Å; I123-Y161 HydrophobicContact CG1-CE1 4.09Å |
| 124 | Q | 96.3 | Very high | 92.7 | Very high | 81 Ų | 81 | 69.2 Ų | 69.2 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 133.4 | 174 | -102.9 | -66.3 | -4 | 0 | 0 | 111.3 | D126 Y127 L128 K156 G157 | Q124-D126 VanDerWaalsContact C-N 3.28Å; Q124-D126 PolarHBondContact O-N 2.82Å; Q124-Y127 PolarHBondContact O-N 2.87Å; Q124-Y127 VanDerWaalsContact O-N 3.09Å; Q124-L128 PolarHBondContact O-N 2.98Å; Q124-K156 PolarHBondContact NE2-O 3.05Å; Q124-G157 PolarHBondContact OE1-O 2.86Å; Q124-G157 VanDerWaalsContact OE1-O 3.06Å |
| 125 | E | 94.6 | Very high | 92.3 | Very high | 62 Ų | 62 | 69.5 Ų | 69.5 | 29% | 0.29 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -34.9 | -175.1 | 70.4 | -179.7 | 157 | 0 | 0 | 112.8 | L128 R129 Y148 I153 G157 | E125-L128 PolarHBondContact O-N 3.15Å; E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 PolarHBondContact O-N 2.94Å; E125-Y148 HydrophobicContact CB-CE2 3.93Å; E125-Y148 PolarHBondContact O-OH 3.39Å; E125-I153 HydrophobicContact CB-CD1 4.3Å; E125-I153 HydrophobicContact CB-CG2 4.42Å; E125-G157 WeakPolarHBondContact CB-O 3.42Å; E125-G157 PolarHBondContact N-O 3.24Å; E125-G157 WeakPolarHBondContact OE1-CA 3.4Å |
| 126 | D | 94.5 | Very high | 91.8 | Very high | 118 Ų | 118 | 69.1 Ų | 69.1 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66 | -42.1 | 176.1 | -73.7 | -28.1 | 0 | 0 | 0 | 111 | Q124 R129 E130 | Q124-D126 VanDerWaalsContact C-N 3.28Å; Q124-D126 PolarHBondContact O-N 2.82Å; D126-R129 PolarHBondContact O-N 3.16Å; D126-E130 PolarHBondContact O-N 3.21Å; D126-E130 VanDerWaalsContact O-N 3.08Å |
| 127 | Y | 93.8 | Very high | 91.3 | Very high | 98 Ų | 98 | 76.1 Ų | 76.1 | 38% | 0.384 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | 177.5 | 179.6 | -128 | 0 | 0 | 0 | 111.1 | F115 I123 Q124 R129 E130 L131 | F115-Y127 HydrophobicContact CB-CE1 4.11Å; I123-Y127 HydrophobicContact CG2-CD1 3.84Å; Q124-Y127 PolarHBondContact O-N 2.87Å; Q124-Y127 VanDerWaalsContact O-N 3.09Å; Y127-R129 VanDerWaalsContact C-N 3.31Å; Y127-R129 PolarHBondContact O-N 3.09Å; Y127-E130 WeakPolarHBondContact O-CB 3.46Å; Y127-E130 PolarHBondContact O-N 3.49Å; Y127-L131 HydrophobicContact CD1-CD1 4.21Å; Y127-L131 HydrophobicContact CD2-CG 4.48Å; Y127-L131 HydrophobicContact CE1-CD1 3.83Å; Y127-L131 HydrophobicContact CE1-CG 4.46Å; Y127-L131 HydrophobicContact CE2-CD1 4.39Å; Y127-L131 HydrophobicContact CE2-CD2 4.09Å; Y127-L131 HydrophobicContact CE2-CG 4.15Å; Y127-L131 WeakPolarHBondContact O-CG 3.37Å; Y127-L131 PolarHBondContact O-N 2.77Å |
| 128 | L | 93.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 174.9 | 179.8 | 61.1 | 0 | 0 | 0 | 111.8 | F112 I123 Q124 E125 L131 L132 Y148 F159 | F112-L128 HydrophobicContact CE1-CD1 3.99Å; I123-L128 HydrophobicContact CG2-CB 4.09Å; Q124-L128 PolarHBondContact O-N 2.98Å; E125-L128 PolarHBondContact O-N 3.15Å; L128-L131 WeakPolarHBondContact O-CB 3.5Å; L128-L131 PolarHBondContact O-N 2.79Å; L128-L132 HydrophobicContact CD1-CD1 4.18Å; L128-L132 HydrophobicContact CD1-CG 4.16Å; L128-L132 HydrophobicContact CG-CD1 3.98Å; L128-L132 HydrophobicContact CG-CG 4.4Å; L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.22Å; L128-Y148 WeakPolarHBondContact CB-OH 3.1Å; L128-Y148 HydrophobicContact CD2-CE1 4.06Å; L128-Y148 HydrophobicContact CG-CE1 4.48Å; L128-F159 HydrophobicContact CD2-CB 4.27Å; L128-F159 HydrophobicContact CD2-CD1 3.59Å; L128-F159 HydrophobicContact CD2-CD2 4.15Å; L128-F159 HydrophobicContact CD2-CE1 3.79Å; L128-F159 HydrophobicContact CD2-CE2 4.34Å; L128-F159 HydrophobicContact CD2-CG 3.75Å; L128-F159 HydrophobicContact CD2-CZ 4.15Å |
| 129 | R | 94.3 | Very high | 91.3 | Very high | 54 Ų | 54 | 71.3 Ų | 71.3 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.7 | 176.7 | 177.6 | -62.4 | -95.6 | -1.3 | 111 | E125 D126 Y127 L131 L132 T133 D141 V144 D145 Y148 | E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 PolarHBondContact O-N 2.94Å; D126-R129 PolarHBondContact O-N 3.16Å; Y127-R129 VanDerWaalsContact C-N 3.31Å; Y127-R129 PolarHBondContact O-N 3.09Å; R129-L131 VanDerWaalsContact C-N 3.31Å; R129-L131 PolarHBondContact O-N 3.07Å; R129-L132 PolarHBondContact O-N 3.21Å; R129-T133 HydrophobicContact CG-CG2 4.25Å; R129-T133 WeakPolarHBondContact O-CB 3.38Å; R129-T133 WeakPolarHBondContact O-CG2 3.21Å; R129-T133 PolarHBondContact O-N 2.86Å; R129-T133 PolarHBondContact O-OG1 2.68Å; R129-D141 PolarHBondContact NH1-O 2.76Å; R129-D141 IonicContact NH1-OD1 2.67Å; R129-V144 HydrophobicContact CB-CG1 4.2Å; R129-V144 HydrophobicContact CG-CG1 4.1Å; R129-D145 IonicContact CZ-OD1 3.72Å; R129-D145 VanDerWaalsContact CZ-OD1 3.32Å; R129-D145 IonicContact NH1-OD1 3.32Å; R129-D145 PolarHBondContact NH1-OD1 3.34Å; R129-D145 VanDerWaalsContact NH1-OD1 3.09Å; R129-D145 IonicContact NH2-OD1 4Å; R129-D145 PolarHBondContact NH2-OD1 2.87Å; R129-Y148 PolarHBondContact N-OH 3.25Å |
| 130 | E | 93.9 | Very high | 91.4 | Very high | 114 Ų | 114 | 70.5 Ų | 70.5 | 53% | 0.533 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 174.9 | -173.2 | -177.6 | 176.1 | 0 | 0 | 110.8 | D126 Y127 L132 T133 T134 | D126-E130 PolarHBondContact O-N 3.21Å; D126-E130 VanDerWaalsContact O-N 3.08Å; Y127-E130 WeakPolarHBondContact O-CB 3.46Å; Y127-E130 PolarHBondContact O-N 3.49Å; E130-L132 PolarHBondContact O-N 3.37Å; E130-T133 PolarHBondContact O-N 3.03Å; E130-T133 PolarHBondContact O-OG1 2.91Å; E130-T134 HydrophobicContact CG-CG2 4.16Å; E130-T134 VanDerWaalsContact O-CB 3.27Å; E130-T134 WeakPolarHBondContact O-CB 3.3Å; E130-T134 VanDerWaalsContact O-CG2 3.23Å; E130-T134 WeakPolarHBondContact O-CG2 3.19Å; E130-T134 PolarHBondContact O-N 2.79Å; E130-T134 PolarHBondContact O-OG1 3.08Å |
| 131 | L | 90.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 71.4 Ų | 71.4 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 178.1 | -66.6 | 174.5 | 0 | 0 | 0 | 112.1 | F115 Y127 L128 R129 T133 M135 | F115-L131 HydrophobicContact CB-CD1 3.99Å; F115-L131 HydrophobicContact CD1-CD1 3.45Å; F115-L131 VanDerWaalsContact CD1-CD1 3.45Å; F115-L131 HydrophobicContact CD1-CD2 3.87Å; F115-L131 HydrophobicContact CD1-CG 4.32Å; F115-L131 HydrophobicContact CD2-CD1 4.12Å; F115-L131 HydrophobicContact CE1-CD1 3.87Å; F115-L131 HydrophobicContact CE1-CD2 3.68Å; F115-L131 HydrophobicContact CE1-CG 4.4Å; F115-L131 HydrophobicContact CE2-CD1 4.48Å; F115-L131 HydrophobicContact CG-CD1 3.58Å; F115-L131 HydrophobicContact CZ-CD1 4.36Å; F115-L131 HydrophobicContact CZ-CD2 4.46Å; Y127-L131 HydrophobicContact CD1-CD1 4.21Å; Y127-L131 HydrophobicContact CD2-CG 4.48Å; Y127-L131 HydrophobicContact CE1-CD1 3.83Å; Y127-L131 HydrophobicContact CE1-CG 4.46Å; Y127-L131 HydrophobicContact CE2-CD1 4.39Å; Y127-L131 HydrophobicContact CE2-CD2 4.09Å; Y127-L131 HydrophobicContact CE2-CG 4.15Å; Y127-L131 WeakPolarHBondContact O-CG 3.37Å; Y127-L131 PolarHBondContact O-N 2.77Å; L128-L131 WeakPolarHBondContact O-CB 3.5Å; L128-L131 PolarHBondContact O-N 2.79Å; R129-L131 VanDerWaalsContact C-N 3.31Å; R129-L131 PolarHBondContact O-N 3.07Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.04Å; L131-M135 HydrophobicContact CD2-CE 3.66Å; L131-M135 HydrophobicContact CD2-SD 3.78Å; L131-M135 WeakPolarHBondContact O-CB 3.22Å; L131-M135 PolarHBondContact O-N 3.24Å |
| 132 | L | 91 | Very high | 91.3 | Very high | 38 Ų | 38 | 77.2 Ų | 77.2 | 20% | 0.199 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.9 | -29 | -176.6 | -68.3 | 173 | 0 | 0 | 0 | 113.8 | L128 R129 E130 F139 V144 L147 | L128-L132 HydrophobicContact CD1-CD1 4.18Å; L128-L132 HydrophobicContact CD1-CG 4.16Å; L128-L132 HydrophobicContact CG-CD1 3.98Å; L128-L132 HydrophobicContact CG-CG 4.4Å; L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.22Å; R129-L132 PolarHBondContact O-N 3.21Å; E130-L132 PolarHBondContact O-N 3.37Å; L132-F139 HydrophobicContact CB-CB 4.49Å; L132-F139 PolarHBondContact O-N 3.38Å; L132-V144 HydrophobicContact CB-CG2 4.11Å; L132-V144 HydrophobicContact CD1-CG1 4.42Å; L132-V144 HydrophobicContact CD1-CG2 4.3Å; L132-L147 HydrophobicContact CD1-CD2 3.62Å |
| 133 | T | 93 | Very high | 91 | Very high | 36 Ų | 36 | 79.4 Ų | 79.4 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -95 | -17.1 | -177.6 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | R129 E130 L131 R138 V144 | R129-T133 HydrophobicContact CG-CG2 4.25Å; R129-T133 WeakPolarHBondContact O-CB 3.38Å; R129-T133 WeakPolarHBondContact O-CG2 3.21Å; R129-T133 PolarHBondContact O-N 2.86Å; R129-T133 PolarHBondContact O-OG1 2.68Å; E130-T133 PolarHBondContact O-N 3.03Å; E130-T133 PolarHBondContact O-OG1 2.91Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.04Å; T133-R138 WeakPolarHBondContact O-CD 3.47Å; T133-R138 VanDerWaalsContact O-CG 3.3Å; T133-R138 WeakPolarHBondContact O-CG 3.31Å; T133-V144 HydrophobicContact CG2-CG2 4.01Å |
| 134 | T | 88.4 | Confident | 90.9 | Very high | 61 Ų | 61 | 79.1 Ų | 79.1 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -110 | -32.1 | -175.2 | 66.1 | 0 | 0 | 0 | 0 | 114.1 | E130 R138 | E130-T134 HydrophobicContact CG-CG2 4.16Å; E130-T134 VanDerWaalsContact O-CB 3.27Å; E130-T134 WeakPolarHBondContact O-CB 3.3Å; E130-T134 VanDerWaalsContact O-CG2 3.23Å; E130-T134 WeakPolarHBondContact O-CG2 3.19Å; E130-T134 PolarHBondContact O-N 2.79Å; E130-T134 PolarHBondContact O-OG1 3.08Å; T134-R138 PolarHBondContact O-NE 3.11Å; T134-R138 VanDerWaalsContact O-NE 3.09Å; T134-R138 PolarHBondContact O-NH2 3.26Å |
| 135 | M | 80.4 | Confident | 90.7 | Very high | 110 Ų | 110 | 79.5 Ų | 79.5 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -106.3 | 140.6 | -172.1 | -57.2 | -163.2 | -178.1 | 0 | 0 | 112.7 | L131 | L131-M135 HydrophobicContact CD2-CE 3.66Å; L131-M135 HydrophobicContact CD2-SD 3.78Å; L131-M135 WeakPolarHBondContact O-CB 3.22Å; L131-M135 PolarHBondContact O-N 3.24Å |
| 136 | G | 80.9 | Confident | 90.5 | Very high | 73 Ų | 73 | 83 Ų | 83 | 75% | 0.753 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 66.1 | -141.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | R138 | G136-R138 PolarHBondContact O-N 3.3Š|
| 137 | D | 81.8 | Confident | 90.3 | Very high | 158 Ų | 158 | 79.8 Ų | 79.8 | 85% | 0.845 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -74.7 | 110.6 | 169.4 | -69.1 | -28.7 | 0 | 0 | 0 | 108.2 | ||
| 138 | R | 88.5 | Confident | 90.1 | Very high | 176 Ų | 176 | 76.4 Ų | 76.4 | 66% | 0.664 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 130.5 | -167.7 | -63.4 | 173.6 | 177.6 | 176.1 | -1.8 | 111.1 | T133 T134 G136 | T133-R138 WeakPolarHBondContact O-CD 3.47Å; T133-R138 VanDerWaalsContact O-CG 3.3Å; T133-R138 WeakPolarHBondContact O-CG 3.31Å; T134-R138 PolarHBondContact O-NE 3.11Å; T134-R138 VanDerWaalsContact O-NE 3.09Å; T134-R138 PolarHBondContact O-NH2 3.26Å; G136-R138 PolarHBondContact O-N 3.3Å |
| 139 | F | 90.1 | Very high | 89.9 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 40% | 0.404 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 148.9 | 169.7 | -74.8 | -119.8 | 0 | 0 | 0 | 109.4 | L132 E143 V144 | L132-F139 HydrophobicContact CB-CB 4.49Å; L132-F139 PolarHBondContact O-N 3.38Å; F139-E143 WeakPolarHBondContact CA-OE2 3.2Å; F139-E143 HydrophobicContact CB-CB 4.2Å; F139-E143 HydrophobicContact CD1-CB 3.79Å; F139-E143 HydrophobicContact CG-CB 4.45Å; F139-V144 HydrophobicContact CB-CG2 3.83Å |
| 140 | T | 94.4 | Very high | 89.4 | Confident | 66 Ų | 66 | 91.3 Ų | 91.3 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 161.7 | 165.6 | 82.6 | 0 | 0 | 0 | 0 | 110.3 | E142 E143 V144 | T140-E142 VanDerWaalsContact CB-OE2 3.31Å; T140-E142 WeakPolarHBondContact CB-OE2 3.39Å; T140-E142 PolarHBondContact O-N 3.16Å; T140-E142 PolarHBondContact OG1-N 3.47Å; T140-E142 PolarHBondContact OG1-OE2 2.88Å; T140-E143 PolarHBondContact N-OE2 3.46Å; T140-E143 PolarHBondContact O-N 2.65Å; T140-E143 VanDerWaalsContact O-N 3.11Å; T140-E143 PolarHBondContact OG1-N 3.47Å; T140-V144 WeakPolarHBondContact O-CG2 3.38Å; T140-V144 PolarHBondContact O-N 3.2Å; T140-V144 VanDerWaalsContact O-N 3.08Å |
| 141 | D | 92.1 | Very high | 89.2 | Confident | 92 Ų | 92 | 86.6 Ų | 86.6 | 49% | 0.492 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.7 | -35.6 | 177.2 | -74.2 | -45.1 | 0 | 0 | 0 | 111.7 | R129 V144 D145 | R129-D141 PolarHBondContact NH1-O 2.76Å; R129-D141 IonicContact NH1-OD1 2.67Å; D141-V144 PolarHBondContact O-N 2.82Å; D141-D145 VanDerWaalsContact O-CG 3.26Å; D141-D145 PolarHBondContact O-N 2.93Å |
| 142 | E | 93.4 | Very high | 89.3 | Confident | 126 Ų | 126 | 87.1 Ų | 87.1 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.5 | -40.8 | 175.7 | -59.9 | 78.6 | -170.3 | 0 | 0 | 112.4 | T140 V144 D145 E146 | T140-E142 VanDerWaalsContact CB-OE2 3.31Å; T140-E142 WeakPolarHBondContact CB-OE2 3.39Å; T140-E142 PolarHBondContact O-N 3.16Å; T140-E142 PolarHBondContact OG1-N 3.47Å; T140-E142 PolarHBondContact OG1-OE2 2.88Å; E142-V144 VanDerWaalsContact C-N 3.32Å; E142-V144 PolarHBondContact O-N 3.34Å; E142-D145 PolarHBondContact O-N 3.38Å; E142-E146 WeakPolarHBondContact O-CG 3.44Å; E142-E146 PolarHBondContact O-N 3.33Å |
| 143 | E | 91 | Very high | 89.4 | Confident | 89 Ų | 89 | 87.3 Ų | 87.3 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.7 | -35.3 | 177.1 | -65.7 | 174 | 141.9 | 0 | 0 | 111.5 | F139 T140 E146 L147 | F139-E143 WeakPolarHBondContact CA-OE2 3.2Å; F139-E143 HydrophobicContact CB-CB 4.2Å; F139-E143 HydrophobicContact CD1-CB 3.79Å; F139-E143 HydrophobicContact CG-CB 4.45Å; T140-E143 PolarHBondContact N-OE2 3.46Å; T140-E143 PolarHBondContact O-N 2.65Å; T140-E143 VanDerWaalsContact O-N 3.11Å; T140-E143 PolarHBondContact OG1-N 3.47Å; E143-E146 PolarHBondContact O-N 3.34Å; E143-L147 WeakPolarHBondContact O-CB 3.48Å; E143-L147 PolarHBondContact O-N 2.82Å |
| 144 | V | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 89 Ų | 89 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -69 | -40.1 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | R129 L132 T133 F139 T140 D141 E142 E146 L147 Y148 | R129-V144 HydrophobicContact CB-CG1 4.2Å; R129-V144 HydrophobicContact CG-CG1 4.1Å; L132-V144 HydrophobicContact CB-CG2 4.11Å; L132-V144 HydrophobicContact CD1-CG1 4.42Å; L132-V144 HydrophobicContact CD1-CG2 4.3Å; T133-V144 HydrophobicContact CG2-CG2 4.01Å; F139-V144 HydrophobicContact CB-CG2 3.83Å; T140-V144 WeakPolarHBondContact O-CG2 3.38Å; T140-V144 PolarHBondContact O-N 3.2Å; T140-V144 VanDerWaalsContact O-N 3.08Å; D141-V144 PolarHBondContact O-N 2.82Å; E142-V144 VanDerWaalsContact C-N 3.32Å; E142-V144 PolarHBondContact O-N 3.34Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 3.42Å; V144-L147 WeakPolarHBondContact O-CB 3.22Å; V144-L147 PolarHBondContact O-N 2.93Å; V144-Y148 HydrophobicContact CG1-CD1 4.08Å; V144-Y148 HydrophobicContact CG1-CD2 4.26Å; V144-Y148 HydrophobicContact CG1-CE1 3.64Å; V144-Y148 HydrophobicContact CG1-CE2 3.85Å; V144-Y148 HydrophobicContact CG1-CG 4.37Å; V144-Y148 WeakPolarHBondContact O-CD1 3.38Å; V144-Y148 PolarHBondContact O-N 2.94Å |
| 145 | D | 92.5 | Very high | 89.6 | Confident | 89 Ų | 89 | 96.8 Ų | 96.8 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 175.3 | -73 | -8.7 | 0 | 0 | 0 | 111.9 | R129 D141 E142 Y148 R149 | R129-D145 IonicContact CZ-OD1 3.72Å; R129-D145 VanDerWaalsContact CZ-OD1 3.32Å; R129-D145 IonicContact NH1-OD1 3.32Å; R129-D145 PolarHBondContact NH1-OD1 3.34Å; R129-D145 VanDerWaalsContact NH1-OD1 3.09Å; R129-D145 IonicContact NH2-OD1 4Å; R129-D145 PolarHBondContact NH2-OD1 2.87Å; D141-D145 VanDerWaalsContact O-CG 3.26Å; D141-D145 PolarHBondContact O-N 2.93Å; E142-D145 PolarHBondContact O-N 3.38Å; D145-Y148 PolarHBondContact O-N 3.2Å; D145-R149 PolarHBondContact O-N 2.86Å |
| 146 | E | 90.8 | Very high | 90.2 | Very high | 134 Ų | 134 | 99.2 Ų | 99.2 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 173.5 | -75.2 | -173.9 | 172.1 | 0 | 0 | 111.7 | E142 E143 V144 Y148 R149 | E142-E146 WeakPolarHBondContact O-CG 3.44Å; E142-E146 PolarHBondContact O-N 3.33Å; E143-E146 PolarHBondContact O-N 3.34Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 3.42Å; E146-Y148 VanDerWaalsContact C-N 3.29Å; E146-Y148 PolarHBondContact O-N 3.11Å; E146-R149 WeakPolarHBondContact O-CB 3.49Å; E146-R149 PolarHBondContact O-N 3.4Å |
| 147 | L | 88.4 | Confident | 90.9 | Very high | 52 Ų | 52 | 95.9 Ų | 95.9 | 27% | 0.272 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.1 | -42.6 | 175.3 | 177.7 | 67 | 0 | 0 | 0 | 111.8 | L132 E143 V144 R149 A151 F164 | L132-L147 HydrophobicContact CD1-CD2 3.62Å; E143-L147 WeakPolarHBondContact O-CB 3.48Å; E143-L147 PolarHBondContact O-N 2.82Å; V144-L147 WeakPolarHBondContact O-CB 3.22Å; V144-L147 PolarHBondContact O-N 2.93Å; L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 3.45Å; L147-A151 WeakPolarHBondContact O-CB 3.4Å; L147-A151 PolarHBondContact O-N 3.19Å; L147-F164 HydrophobicContact CD1-CE2 3.94Å; L147-F164 HydrophobicContact CD1-CZ 3.71Å |
| 148 | Y | 90.9 | Very high | 91.5 | Very high | 27 Ų | 27 | 90.3 Ų | 90.3 | 11% | 0.106 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.5 | -21.7 | -174.5 | -73.4 | 8 | 0 | 0 | 0 | 113.3 | E125 L128 R129 V144 D145 E146 E150 A151 I153 | E125-Y148 HydrophobicContact CB-CE2 3.93Å; E125-Y148 PolarHBondContact O-OH 3.39Å; L128-Y148 WeakPolarHBondContact CB-OH 3.1Å; L128-Y148 HydrophobicContact CD2-CE1 4.06Å; L128-Y148 HydrophobicContact CG-CE1 4.48Å; R129-Y148 PolarHBondContact N-OH 3.25Å; V144-Y148 HydrophobicContact CG1-CD1 4.08Å; V144-Y148 HydrophobicContact CG1-CD2 4.26Å; V144-Y148 HydrophobicContact CG1-CE1 3.64Å; V144-Y148 HydrophobicContact CG1-CE2 3.85Å; V144-Y148 HydrophobicContact CG1-CG 4.37Å; V144-Y148 WeakPolarHBondContact O-CD1 3.38Å; V144-Y148 PolarHBondContact O-N 2.94Å; D145-Y148 PolarHBondContact O-N 3.2Å; E146-Y148 VanDerWaalsContact C-N 3.29Å; E146-Y148 PolarHBondContact O-N 3.11Å; Y148-E150 VanDerWaalsContact C-N 3.25Å; Y148-E150 PolarHBondContact O-N 3.31Å; Y148-A151 PolarHBondContact O-N 2.81Å; Y148-I153 HydrophobicContact CD1-CD1 3.98Å; Y148-I153 HydrophobicContact CD2-CD1 3.96Å; Y148-I153 HydrophobicContact CE1-CD1 4.49Å; Y148-I153 HydrophobicContact CE2-CD1 4.47Å; Y148-I153 HydrophobicContact CG-CD1 3.69Å |
| 149 | R | 88.4 | Confident | 91.9 | Very high | 202 Ų | 202 | 82 Ų | 82 | 76% | 0.762 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.3 | -35.2 | -178.9 | -176.1 | 179 | -78.9 | 156.2 | -0.2 | 112.9 | D145 E146 L147 | D145-R149 PolarHBondContact O-N 2.86Å; E146-R149 WeakPolarHBondContact O-CB 3.49Å; E146-R149 PolarHBondContact O-N 3.4Å; L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 3.45Å |
| 150 | E | 83.5 | Confident | 92.1 | Very high | 170 Ų | 170 | 79.9 Ų | 79.9 | 79% | 0.794 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -110.5 | 0.1 | -177.8 | -60.2 | -171.8 | 177.2 | 0 | 0 | 112.8 | Y148 | Y148-E150 VanDerWaalsContact C-N 3.25Å; Y148-E150 PolarHBondContact O-N 3.31Å |
| 151 | A | 89.4 | Confident | 92.1 | Very high | 15 Ų | 15 | 77.1 Ų | 77.1 | 12% | 0.124 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -74.8 | 146 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L147 Y148 I153 F159 F164 | L147-A151 WeakPolarHBondContact O-CB 3.4Å; L147-A151 PolarHBondContact O-N 3.19Å; Y148-A151 PolarHBondContact O-N 2.81Å; A151-I153 HydrophobicContact CB-CD1 3.94Å; A151-I153 HydrophobicContact CB-CG1 3.87Å; A151-I153 PolarHBondContact O-N 3.11Å; A151-F159 HydrophobicContact CB-CD2 3.9Å; A151-F159 HydrophobicContact CB-CE2 3.72Å; A151-F164 HydrophobicContact CB-CD2 4.49Å |
| 152 | P | 92.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 76.4 Ų | 76.4 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | trans | -76.3 | 75.5 | 173.7 | 33.1 | -35.2 | 0 | 0 | 0 | 110.6 | N160 E163 F164 I167 | P152-N160 HydrophobicContact CB-CB 4.29Å; P152-N160 HydrophobicContact CG-CB 4.23Å; P152-N160 VanDerWaalsContact CG-O 3.3Å; P152-N160 WeakPolarHBondContact CG-O 3.4Å; P152-N160 PolarHBondContact O-N 3.04Å; P152-E163 HydrophobicContact CB-CB 4.18Å; P152-E163 HydrophobicContact CB-CG 3.96Å; P152-E163 HydrophobicContact CG-CB 4.01Å; P152-E163 HydrophobicContact CG-CG 4.11Å; P152-F164 HydrophobicContact CG-CB 3.81Å; P152-I167 HydrophobicContact CG-CD1 4.49Å | ||
| 153 | I | 94.7 | Very high | 92.1 | Very high | 42 Ų | 42 | 74.5 Ų | 74.5 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 125.5 | 176.2 | -56.7 | 174.5 | 0 | 0 | 0 | 109 | E125 Y148 A151 N158 F159 | E125-I153 HydrophobicContact CB-CD1 4.3Å; E125-I153 HydrophobicContact CB-CG2 4.42Å; Y148-I153 HydrophobicContact CD1-CD1 3.98Å; Y148-I153 HydrophobicContact CD2-CD1 3.96Å; Y148-I153 HydrophobicContact CE1-CD1 4.49Å; Y148-I153 HydrophobicContact CE2-CD1 4.47Å; Y148-I153 HydrophobicContact CG-CD1 3.69Å; A151-I153 HydrophobicContact CB-CD1 3.94Å; A151-I153 HydrophobicContact CB-CG1 3.87Å; A151-I153 PolarHBondContact O-N 3.11Å; I153-N158 WeakPolarHBondContact CA-O 3.47Å; I153-F159 HydrophobicContact CD1-CD2 4.35Å; I153-F159 HydrophobicContact CG1-CB 4.08Å; I153-F159 HydrophobicContact CG1-CD2 3.83Å; I153-F159 HydrophobicContact CG1-CG 4.47Å |
| 154 | D | 93.4 | Very high | 92.1 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | trans | -77.8 | 172.5 | 177.3 | 81.8 | 5.6 | 0 | 0 | 0 | 112.6 | K156 G157 N158 | D154-K156 PolarHBondContact O-N 3.29Å; D154-K156 VanDerWaalsContact OD1-CA 3.27Å; D154-K156 WeakPolarHBondContact OD1-CA 3.35Å; D154-K156 VanDerWaalsContact OD1-CB 3.3Å; D154-K156 WeakPolarHBondContact OD1-CB 3.49Å; D154-K156 PolarHBondContact OD1-N 3.42Å; D154-G157 PolarHBondContact O-N 3.28Å; D154-G157 PolarHBondContact OD1-N 3.46Å; D154-G157 VanDerWaalsContact OD1-N 3.14Å; D154-N158 PolarHBondContact N-O 2.95Å; D154-N158 WeakPolarHBondContact OD1-CB 3.46Å; D154-N158 PolarHBondContact OD1-N 3.45Å; D154-N158 PolarHBondContact OD1-ND2 2.98Å; D154-N158 PolarHBondContact OD2-ND2 3.46Å | ||
| 155 | K | 91.8 | Very high | 91.9 | Very high | 223 Ų | 223 | 71.7 Ų | 71.7 | 97% | 0.97 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -8.2 | 179.6 | -66.1 | -175 | 177.9 | -179.4 | 0 | 114.8 | ||
| 156 | K | 93.3 | Very high | 91.6 | Very high | 162 Ų | 162 | 72.8 Ų | 72.8 | 70% | 0.704 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 4.3 | 178.2 | -58.2 | 177 | 178.6 | 177.4 | 0 | 111.6 | Q124 D154 | Q124-K156 PolarHBondContact NE2-O 3.05Å; D154-K156 PolarHBondContact O-N 3.29Å; D154-K156 VanDerWaalsContact OD1-CA 3.27Å; D154-K156 WeakPolarHBondContact OD1-CA 3.35Å; D154-K156 VanDerWaalsContact OD1-CB 3.3Å; D154-K156 WeakPolarHBondContact OD1-CB 3.49Å; D154-K156 PolarHBondContact OD1-N 3.42Å |
| 157 | G | 93.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 81.7 | 12.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q124 E125 D154 F159 | Q124-G157 PolarHBondContact OE1-O 2.86Å; Q124-G157 VanDerWaalsContact OE1-O 3.06Å; E125-G157 WeakPolarHBondContact CB-O 3.42Å; E125-G157 PolarHBondContact N-O 3.24Å; E125-G157 WeakPolarHBondContact OE1-CA 3.4Å; D154-G157 PolarHBondContact O-N 3.28Å; D154-G157 PolarHBondContact OD1-N 3.46Å; D154-G157 VanDerWaalsContact OD1-N 3.14Å; G157-F159 PolarHBondContact O-N 3.25Å |
| 158 | N | 95.6 | Very high | 91 | Very high | 42 Ų | 42 | 70.2 Ų | 70.2 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 112.6 | 178.1 | -54.4 | -51.3 | 0 | 0 | 0 | 109.8 | T122 I153 D154 | T122-N158 HydrophobicContact CG2-CB 4.33Å; I153-N158 WeakPolarHBondContact CA-O 3.47Å; D154-N158 PolarHBondContact N-O 2.95Å; D154-N158 WeakPolarHBondContact OD1-CB 3.46Å; D154-N158 PolarHBondContact OD1-N 3.45Å; D154-N158 PolarHBondContact OD1-ND2 2.98Å; D154-N158 PolarHBondContact OD2-ND2 3.46Å |
| 159 | F | 96.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 116.3 | 172.2 | 172.1 | -101.7 | 0 | 0 | 0 | 110.5 | F112 T122 I123 L128 A151 I153 G157 Y161 F164 | F112-F159 HydrophobicContact CD1-CE1 4.36Å; F112-F159 AromaticContact CE1-CE1 3.93Å; F112-F159 HydrophobicContact CE1-CE1 3.93Å; F112-F159 HydrophobicContact CZ-CE1 4.12Å; F112-F159 HydrophobicContact CZ-CZ 4.39Å; T122-F159 CarbonylContact C-O 3.53Å; T122-F159 WeakPolarHBondContact CA-O 3.45Å; I123-F159 PolarHBondContact N-O 3.31Å; I123-F159 WeakPolarHBondContact O-CB 3.41Å; I123-F159 PolarHBondContact O-N 2.84Å; L128-F159 HydrophobicContact CD2-CB 4.27Å; L128-F159 HydrophobicContact CD2-CD1 3.59Å; L128-F159 HydrophobicContact CD2-CD2 4.15Å; L128-F159 HydrophobicContact CD2-CE1 3.79Å; L128-F159 HydrophobicContact CD2-CE2 4.34Å; L128-F159 HydrophobicContact CD2-CG 3.75Å; L128-F159 HydrophobicContact CD2-CZ 4.15Å; A151-F159 HydrophobicContact CB-CD2 3.9Å; A151-F159 HydrophobicContact CB-CE2 3.72Å; I153-F159 HydrophobicContact CD1-CD2 4.35Å; I153-F159 HydrophobicContact CG1-CB 4.08Å; I153-F159 HydrophobicContact CG1-CD2 3.83Å; I153-F159 HydrophobicContact CG1-CG 4.47Å; G157-F159 PolarHBondContact O-N 3.25Å; F159-Y161 PolarHBondContact O-N 2.9Å; F159-F164 HydrophobicContact CE1-CB 4.33Å; F159-F164 HydrophobicContact CE1-CD1 4.46Å; F159-F164 HydrophobicContact CE1-CG 4.41Å; F159-F164 HydrophobicContact CE2-CB 3.89Å; F159-F164 HydrophobicContact CE2-CD1 4.35Å; F159-F164 AromaticContact CE2-CD2 3.73Å; F159-F164 HydrophobicContact CE2-CD2 3.73Å; F159-F164 HydrophobicContact CE2-CE2 4.35Å; F159-F164 AromaticContact CE2-CG 3.72Å; F159-F164 HydrophobicContact CE2-CG 3.72Å; F159-F164 HydrophobicContact CZ-CB 3.56Å; F159-F164 AromaticContact CZ-CD1 3.58Å; F159-F164 HydrophobicContact CZ-CD1 3.58Å; F159-F164 AromaticContact CZ-CD2 3.8Å; F159-F164 HydrophobicContact CZ-CD2 3.8Å; F159-F164 HydrophobicContact CZ-CE1 4.2Å; F159-F164 HydrophobicContact CZ-CE2 4.39Å; F159-F164 AromaticContact CZ-CG 3.35Å; F159-F164 HydrophobicContact CZ-CG 3.35Å |
| 160 | N | 95.8 | Very high | 89.9 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 91.6 | 177.5 | -177.2 | -12.1 | 0 | 0 | 0 | 110.9 | G121 T122 P152 I162 E163 F164 | G121-N160 PolarHBondContact O-OD1 3.43Å; T122-N160 HydrophobicContact CG2-CB 4.46Å; P152-N160 HydrophobicContact CB-CB 4.29Å; P152-N160 HydrophobicContact CG-CB 4.23Å; P152-N160 VanDerWaalsContact CG-O 3.3Å; P152-N160 WeakPolarHBondContact CG-O 3.4Å; P152-N160 PolarHBondContact O-N 3.04Å; N160-I162 PolarHBondContact O-N 3.49Å; N160-I162 WeakPolarHBondContact OD1-CB 3.42Å; N160-I162 PolarHBondContact OD1-N 2.86Å; N160-E163 HydrophobicContact CB-CB 4.16Å; N160-E163 WeakPolarHBondContact ND2-CB 3.49Å; N160-E163 PolarHBondContact ND2-OE2 3.26Å; N160-E163 PolarHBondContact O-N 3.02Å; N160-E163 PolarHBondContact OD1-N 3.44Å; N160-F164 WeakPolarHBondContact O-CB 3.29Å; N160-F164 PolarHBondContact O-N 2.94Å |
| 161 | Y | 94.1 | Very high | 89.4 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 4% | 0.035 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.3 | -21.4 | -177.5 | 64.2 | -98.5 | 0 | 0 | 0 | 113.4 | R109 F112 D116 G121 T122 I123 F159 T165 | R109-Y161 HydrophobicContact CG-CD2 4.07Å; R109-Y161 HydrophobicContact CG-CE2 3.82Å; F112-Y161 HydrophobicContact CB-CD1 4.04Å; F112-Y161 HydrophobicContact CB-CD2 3.51Å; F112-Y161 HydrophobicContact CB-CE2 4.06Å; F112-Y161 HydrophobicContact CB-CG 3.51Å; F112-Y161 HydrophobicContact CD2-CD2 4.49Å; F112-Y161 HydrophobicContact CD2-CG 4.43Å; F112-Y161 HydrophobicContact CG-CD2 4.26Å; F112-Y161 AromaticContact CG-CG 4Å; F112-Y161 HydrophobicContact CG-CG 4Å; D116-Y161 HydrophobicContact CB-CE1 3.89Å; D116-Y161 WeakPolarHBondContact OD2-CE1 3.47Å; D116-Y161 PolarHBondContact OD2-OH 3.48Å; G121-Y161 WeakPolarHBondContact CA-OH 3.38Å; G121-Y161 WeakPolarHBondContact O-CD1 3.35Å; G121-Y161 WeakPolarHBondContact O-CE1 3.35Å; G121-Y161 PolarHBondContact O-N 3.39Å; T122-Y161 VanDerWaalsContact N-CE1 3.31Å; I123-Y161 HydrophobicContact CD1-CD1 3.89Å; I123-Y161 HydrophobicContact CD1-CE1 4.32Å; I123-Y161 HydrophobicContact CG1-CD1 3.85Å; I123-Y161 HydrophobicContact CG1-CE1 4.09Å; F159-Y161 PolarHBondContact O-N 2.9Å; Y161-T165 WeakPolarHBondContact O-CB 3.22Å; Y161-T165 PolarHBondContact O-N 3.27Å; Y161-T165 PolarHBondContact O-OG1 3.33Å |
| 162 | I | 92.7 | Very high | 88.4 | Confident | 76 Ų | 76 | 65.1 Ų | 65.1 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.2 | -50.4 | 175 | -58 | 176.8 | 0 | 0 | 0 | 109.4 | N160 T165 R166 | N160-I162 PolarHBondContact O-N 3.49Å; N160-I162 WeakPolarHBondContact OD1-CB 3.42Å; N160-I162 PolarHBondContact OD1-N 2.86Å; I162-T165 PolarHBondContact O-N 3.29Å; I162-R166 PolarHBondContact O-N 3.2Å |
| 163 | E | 91.8 | Very high | 86.8 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.8 | -176.7 | 169.9 | -166.4 | 0 | 0 | 111.3 | P152 N160 T165 R166 I167 | P152-E163 HydrophobicContact CB-CB 4.18Å; P152-E163 HydrophobicContact CB-CG 3.96Å; P152-E163 HydrophobicContact CG-CB 4.01Å; P152-E163 HydrophobicContact CG-CG 4.11Å; N160-E163 HydrophobicContact CB-CB 4.16Å; N160-E163 WeakPolarHBondContact ND2-CB 3.49Å; N160-E163 PolarHBondContact ND2-OE2 3.26Å; N160-E163 PolarHBondContact O-N 3.02Å; N160-E163 PolarHBondContact OD1-N 3.44Å; E163-T165 PolarHBondContact O-N 2.97Å; E163-R166 WeakPolarHBondContact O-CB 3.26Å; E163-R166 PolarHBondContact O-N 3.06Å; E163-I167 HydrophobicContact CG-CD1 3.85Å; E163-I167 HydrophobicContact CG-CG1 4.43Å; E163-I167 VanDerWaalsContact O-CG1 3.29Å; E163-I167 WeakPolarHBondContact O-CG1 3.36Å; E163-I167 PolarHBondContact O-N 3.32Å |
| 164 | F | 91.5 | Very high | 85 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 13% | 0.132 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 176.9 | 179.7 | -101.3 | 0 | 0 | 0 | 111.6 | F112 L147 A151 P152 F159 N160 R166 I167 L168 | F112-F164 HydrophobicContact CE2-CD1 4.25Å; F112-F164 HydrophobicContact CE2-CE1 4.49Å; F112-F164 HydrophobicContact CZ-CD1 4.4Å; F112-F164 HydrophobicContact CZ-CE1 4.42Å; L147-F164 HydrophobicContact CD1-CE2 3.94Å; L147-F164 HydrophobicContact CD1-CZ 3.71Å; A151-F164 HydrophobicContact CB-CD2 4.49Å; P152-F164 HydrophobicContact CG-CB 3.81Å; F159-F164 HydrophobicContact CE1-CB 4.33Å; F159-F164 HydrophobicContact CE1-CD1 4.46Å; F159-F164 HydrophobicContact CE1-CG 4.41Å; F159-F164 HydrophobicContact CE2-CB 3.89Å; F159-F164 HydrophobicContact CE2-CD1 4.35Å; F159-F164 AromaticContact CE2-CD2 3.73Å; F159-F164 HydrophobicContact CE2-CD2 3.73Å; F159-F164 HydrophobicContact CE2-CE2 4.35Å; F159-F164 AromaticContact CE2-CG 3.72Å; F159-F164 HydrophobicContact CE2-CG 3.72Å; F159-F164 HydrophobicContact CZ-CB 3.56Å; F159-F164 AromaticContact CZ-CD1 3.58Å; F159-F164 HydrophobicContact CZ-CD1 3.58Å; F159-F164 AromaticContact CZ-CD2 3.8Å; F159-F164 HydrophobicContact CZ-CD2 3.8Å; F159-F164 HydrophobicContact CZ-CE1 4.2Å; F159-F164 HydrophobicContact CZ-CE2 4.39Å; F159-F164 AromaticContact CZ-CG 3.35Å; F159-F164 HydrophobicContact CZ-CG 3.35Å; N160-F164 WeakPolarHBondContact O-CB 3.29Å; N160-F164 PolarHBondContact O-N 2.94Å; F164-R166 VanDerWaalsContact C-N 3.29Å; F164-R166 PolarHBondContact O-N 3.45Å; F164-I167 PolarHBondContact O-N 3.33Å; F164-L168 HydrophobicContact CE1-CD2 4.21Å; F164-L168 VanDerWaalsContact O-CB 3.32Å; F164-L168 WeakPolarHBondContact O-CB 3.29Å; F164-L168 PolarHBondContact O-N 3.06Å |
| 165 | T | 88.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 179.9 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | E105 I108 Y161 I162 E163 L168 K169 | E105-T165 HydrophobicContact CB-CG2 4.03Å; E105-T165 HydrophobicContact CG-CG2 3.65Å; I108-T165 HydrophobicContact CB-CG2 3.64Å; I108-T165 HydrophobicContact CD1-CG2 4.26Å; I108-T165 HydrophobicContact CG2-CG2 3.69Å; Y161-T165 WeakPolarHBondContact O-CB 3.22Å; Y161-T165 PolarHBondContact O-N 3.27Å; Y161-T165 PolarHBondContact O-OG1 3.33Å; I162-T165 PolarHBondContact O-N 3.29Å; E163-T165 PolarHBondContact O-N 2.97Å; T165-L168 PolarHBondContact O-N 2.85Å; T165-K169 WeakPolarHBondContact O-CG 3.27Å; T165-K169 PolarHBondContact O-N 3.26Å |
| 166 | R | 85.3 | Confident | 80.6 | Confident | 113 Ų | 113 | 78.8 Ų | 78.8 | 43% | 0.426 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 175.1 | -176.5 | -178.1 | 169.9 | -147.8 | -13.6 | 111.9 | I162 E163 F164 L168 K169 H170 | I162-R166 PolarHBondContact O-N 3.2Å; E163-R166 WeakPolarHBondContact O-CB 3.26Å; E163-R166 PolarHBondContact O-N 3.06Å; F164-R166 VanDerWaalsContact C-N 3.29Å; F164-R166 PolarHBondContact O-N 3.45Å; R166-L168 VanDerWaalsContact C-N 3.31Å; R166-K169 PolarHBondContact O-N 3.24Å; R166-H170 WeakPolarHBondContact O-CB 3.41Å; R166-H170 PolarHBondContact O-N 3.14Å |
| 167 | I | 85.3 | Confident | 78.1 | Confident | 51 Ų | 51 | 82.9 Ų | 82.9 | 26% | 0.262 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 175.9 | -68 | 165.9 | 0 | 0 | 0 | 110.1 | P152 E163 F164 K169 G171 A172 | P152-I167 HydrophobicContact CG-CD1 4.49Å; E163-I167 HydrophobicContact CG-CD1 3.85Å; E163-I167 HydrophobicContact CG-CG1 4.43Å; E163-I167 VanDerWaalsContact O-CG1 3.29Å; E163-I167 WeakPolarHBondContact O-CG1 3.36Å; E163-I167 PolarHBondContact O-N 3.32Å; F164-I167 PolarHBondContact O-N 3.33Å; I167-K169 VanDerWaalsContact C-N 3.31Å; I167-K169 PolarHBondContact O-N 2.86Å; I167-G171 CarbonylContact O-C 3.56Å; I167-G171 WeakPolarHBondContact O-CA 3.45Å; I167-G171 PolarHBondContact O-N 3.39Å; I167-A172 HydrophobicContact CG2-CB 4.49Å |
| 168 | L | 81.7 | Confident | 77.3 | Confident | 80 Ų | 80 | 86.9 Ų | 86.9 | 42% | 0.419 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 179.1 | -174.9 | 65.5 | 0 | 0 | 0 | 112.5 | T102 I108 F164 T165 R166 | T102-L168 HydrophobicContact CG2-CD1 4.48Å; T102-L168 HydrophobicContact CG2-CD2 4.46Å; T102-L168 HydrophobicContact CG2-CG 4.31Å; I108-L168 HydrophobicContact CD1-CD2 4.07Å; F164-L168 HydrophobicContact CE1-CD2 4.21Å; F164-L168 VanDerWaalsContact O-CB 3.32Å; F164-L168 WeakPolarHBondContact O-CB 3.29Å; F164-L168 PolarHBondContact O-N 3.06Å; T165-L168 PolarHBondContact O-N 2.85Å; R166-L168 VanDerWaalsContact C-N 3.31Å |
| 169 | K | 78.3 | Confident | 76.3 | Confident | 60 Ų | 60 | 89.3 Ų | 89.3 | 26% | 0.261 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -89.8 | -28.6 | -178.9 | -66.2 | -60.3 | -66 | -169.4 | 0 | 114.6 | T102 D103 E105 I108 T165 R166 I167 | T102-K169 PolarHBondContact O-NZ 3.02Å; T102-K169 WeakPolarHBondContact OG1-CD 3.44Å; T102-K169 PolarHBondContact OG1-NZ 2.75Å; D103-K169 WeakPolarHBondContact O-CD 3.42Å; D103-K169 WeakPolarHBondContact O-CE 3.41Å; D103-K169 PolarHBondContact O-NZ 3.26Å; E105-K169 HydrophobicContact CB-CG 4.2Å; I108-K169 HydrophobicContact CD1-CD 4.25Å; T165-K169 WeakPolarHBondContact O-CG 3.27Å; T165-K169 PolarHBondContact O-N 3.26Å; R166-K169 PolarHBondContact O-N 3.24Å; I167-K169 VanDerWaalsContact C-N 3.31Å; I167-K169 PolarHBondContact O-N 2.86Å |
| 170 | H | 79.4 | Confident | 75.2 | Confident | 131 Ų | 131 | 94.2 Ų | 94.2 | 61% | 0.606 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -126.6 | -1.4 | -169.7 | -59.9 | -61.4 | 0 | 0 | 0 | 114.4 | E105 R166 | E105-H170 IonicContact OE2-CD2 3.02Å; E105-H170 IonicContact OE2-NE2 2.86Å; R166-H170 WeakPolarHBondContact O-CB 3.41Å; R166-H170 PolarHBondContact O-N 3.14Å |
| 171 | G | 71.3 | Confident | 74 | Confident | 41 Ų | 41 | 96.9 Ų | 96.9 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | trans | 78.1 | 167.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I167 | I167-G171 CarbonylContact O-C 3.56Å; I167-G171 WeakPolarHBondContact O-CA 3.45Å; I167-G171 PolarHBondContact O-N 3.39Å | ||
| 172 | A | 68.8 | Low | 72.7 | Confident | 76 Ų | 76 | 102.4 Ų | 102.4 | 63% | 0.628 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 133.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I167 D174 | I167-A172 HydrophobicContact CG2-CB 4.49Å; A172-D174 PolarHBondContact O-N 3.3Å |
| 173 | K | 60.5 | Low | 71.4 | Confident | 163 Ų | 163 | 104.2 Ų | 104.2 | 71% | 0.709 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 125 | 164.5 | -86.8 | -163.9 | 173.1 | 176.8 | 0 | 108 | K175 | K173-K175 PolarHBondContact O-N 3.28Š|
| 174 | D | 55.4 | Low | 70 | Confident | 143 Ų | 143 | 105.5 Ų | 105.5 | 77% | 0.765 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 126.6 | 164 | -68.7 | -43.2 | 0 | 0 | 0 | 108.5 | A172 D176 | A172-D174 PolarHBondContact O-N 3.3Å; D174-D176 PolarHBondContact O-N 3.43Å |
| 175 | K | 49.8 | Very low | 68.3 | Low | 196 Ų | 196 | 111.3 Ų | 111.3 | 85% | 0.852 | 57% | 0.573 | S | S | * | * | trans | -79.7 | 62.6 | 172.6 | -72.6 | -175.4 | 179.1 | 174.1 | 0 | 108.9 | K173 | K173-K175 PolarHBondContact O-N 3.28Š| ||
| 176 | D | 44.5 | Very low | 66.6 | Low | 146 Ų | 146 | 120.6 Ų | 120.6 | 78% | 0.781 | 62% | 0.621 | S | S | * | * | trans | -121.5 | 90.5 | 169 | -73.8 | -40.5 | 0 | 0 | 0 | 108.3 | D174 | D174-D176 PolarHBondContact O-N 3.43Š| ||
| 177 | D | 39.5 | Very low | 64.9 | Low | 247 Ų | 247 | 121.3 Ų | 121.3 | 100% | 1.321 | 64% | 0.639 | S | S | * | * | trans | -103.1 | 0 | 151.8 | -94.2 | -28.3 | 0 | 0 | 0 | 107.9 |
Retrieved 177 of 177 residues in 112.3 ms
(Link to these results)