| 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 | 42.6 | Very low | 37.2 | Very low | 215 Ų | 215 | 135.4 Ų | 135.4 | 100% | 1.059 | 83% | 0.829 | S | S | * | * | 0 | 80.2 | 0 | -55.7 | 178.1 | -167.5 | 0 | 0 | 107.6 | |||||
| 2 | E | 34.9 | Very low | 37.1 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | cis | 58.8 | 134 | 31.5 | -58.7 | 157.8 | 94.6 | 0 | 0 | 111.6 | ||||
| 3 | T | 36.6 | Very low | 36.7 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 69% | 0.693 | 83% | 0.831 | S | S | * | * | cis | -157.8 | 173.9 | -3.2 | 11.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | Q | 37.4 | Very low | 37 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | cis | -147.8 | -172.2 | 8.7 | -148.1 | 135.5 | -25.9 | 0 | 0 | 112 | ||||
| 5 | V | 40.9 | Very low | 37.6 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 78% | 0.782 | 82% | 0.824 | S | S | * | * | trans | -107.2 | 151.2 | 171.1 | 175 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | S | 37.3 | Very low | 37.3 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -152.9 | 154 | 154.3 | -166.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 7 | N | 33 | Very low | 36.8 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -153.4 | 137.7 | -161.9 | -154 | 7.2 | 0 | 0 | 0 | 114.2 | ||||
| 8 | G | 31.6 | Very low | 36.9 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | 77 | -178.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 9 | P | 48.3 | Very low | 37 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | cis | -120.8 | -178.8 | 2.1 | 41.7 | -28.9 | 0 | 0 | 0 | 115.1 | ||||
| 10 | S | 36.4 | Very low | 37 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -81.6 | 158.4 | -176.1 | -44.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 11 | G | 30.1 | Very low | 37.4 | Very low | 80 Ų | 80 | 131 Ų | 131 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -159.2 | 112.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 12 | T | 36 | Very low | 36.9 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -88.2 | 139.8 | -171.7 | 47.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 13 | S | 32.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 124 Ų | 124 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -169.3 | 137.7 | 136.1 | 43.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 14 | L | 40 | Very low | 37.1 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -113.5 | 169.5 | 155.8 | -78.3 | 167.6 | 0 | 0 | 0 | 106.1 | ||||
| 15 | P | 47 | Very low | 37.2 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | cis | -143.5 | -169.7 | 20.9 | 43.7 | -23.9 | 0 | 0 | 0 | 116.5 | ||||
| 16 | N | 31.8 | Very low | 37.3 | Very low | 161 Ų | 161 | 118.2 Ų | 118.2 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | 57.9 | 101.4 | 151.5 | -71.8 | 3.8 | 0 | 0 | 0 | 121.3 | ||||
| 17 | G | 29.7 | Very low | 37.9 | Very low | 74 Ų | 74 | 116.5 Ų | 116.5 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | 120.3 | 165.2 | 115.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 18 | P | 37.7 | Very low | 38.9 | Very low | 119 Ų | 119 | 114.5 Ų | 114.5 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | cis | -95.6 | 153.7 | -13.8 | 36.4 | -30.2 | 0 | 0 | 0 | 112.1 | I20 | P18-I20 PolarHBondContact O-N 3.48Š| ||
| 19 | V | 40.1 | Very low | 40.2 | Very low | 126 Ų | 126 | 113.5 Ų | 113.5 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -66.2 | 130.3 | 159.7 | -76.8 | 0 | 0 | 0 | 0 | 108.9 | S21 | V19-S21 PolarHBondContact O-N 2.66Š| ||
| 20 | I | 37 | Very low | 41.4 | Very low | 152 Ų | 152 | 111.8 Ų | 111.8 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | -80.1 | 66.2 | 175.7 | -55.6 | -175.8 | 0 | 0 | 0 | 108.9 | P18 T22 | P18-I20 PolarHBondContact O-N 3.48Å; I20-T22 VanDerWaalsContact CG2-OG1 3.24Å; I20-T22 WeakPolarHBondContact CG2-OG1 3.33Å; I20-T22 PolarHBondContact O-N 2.87Å | ||
| 21 | S | 44.9 | Very low | 43.8 | Very low | 100 Ų | 100 | 106.7 Ų | 106.7 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | trans | -76.2 | 71.3 | 165.1 | -62.8 | 0 | 0 | 0 | 0 | 109 | V19 N23 | V19-S21 PolarHBondContact O-N 2.66Å; S21-N23 PolarHBondContact O-N 3.01Å | ||
| 22 | T | 31.1 | Very low | 46.7 | Very low | 104 Ų | 104 | 105.3 Ų | 105.3 | 64% | 0.638 | 65% | 0.653 | S | S | * | * | trans | -95.4 | 90.1 | 178.6 | -56 | 0 | 0 | 0 | 0 | 110.9 | I20 | I20-T22 VanDerWaalsContact CG2-OG1 3.24Å; I20-T22 WeakPolarHBondContact CG2-OG1 3.33Å; I20-T22 PolarHBondContact O-N 2.87Å | ||
| 23 | N | 34 | Very low | 49.3 | Very low | 137 Ų | 137 | 98.9 Ų | 98.9 | 73% | 0.733 | 61% | 0.613 | S | S | * | * | trans | 47.5 | 108.4 | 146.3 | -55.6 | -26.1 | 0 | 0 | 0 | 117.8 | S21 S25 | S21-N23 PolarHBondContact O-N 3.01Å; N23-S25 PolarHBondContact O-N 3.27Å | ||
| 24 | G | 42.9 | Very low | 52 | Low | 85 Ų | 85 | 94.7 Ų | 94.7 | 88% | 0.876 | 58% | 0.581 | S | S | * | * | trans | -57.4 | 120.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 25 | S | 39.2 | Very low | 54.5 | Low | 103 Ų | 103 | 86.8 Ų | 86.8 | 72% | 0.72 | 54% | 0.539 | S | S | * | . | trans | -158.2 | 100.1 | 169.5 | -77 | 0 | 0 | 0 | 0 | 109.9 | N23 | N23-S25 PolarHBondContact O-N 3.27Š| ||
| 26 | T | 43.6 | Very low | 56.5 | Low | 104 Ų | 104 | 84.2 Ų | 84.2 | 64% | 0.638 | 52% | 0.52 | S | S | * | . | trans | 56.6 | 75.1 | 166.5 | 58.5 | 0 | 0 | 0 | 0 | 117.7 | D28 | T26-D28 VanDerWaalsContact C-N 3.26Å; T26-D28 WeakPolarHBondContact CA-OD2 3.41Å | ||
| 27 | D | 48.5 | Very low | 59.1 | Low | 90 Ų | 90 | 83 Ų | 83 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.1 | 163.7 | -141 | -118.2 | 0 | 0 | 0 | 112.9 | S29 K30 | D27-S29 PolarHBondContact O-N 2.78Å; D27-K30 PolarHBondContact O-N 2.78Å; D27-K30 WeakPolarHBondContact OD1-CD 3.24Å; D27-K30 IonicContact OD1-NZ 2.93Å; D27-K30 PolarHBondContact OD1-NZ 2.83Å; D27-K30 VanDerWaalsContact OD2-CE 3.27Å; D27-K30 WeakPolarHBondContact OD2-CE 3.22Å; D27-K30 IonicContact OD2-NZ 2.62Å; D27-K30 PolarHBondContact OD2-NZ 3.32Å |
| 28 | D | 53.7 | Low | 61.9 | Low | 114 Ų | 114 | 79.4 Ų | 79.4 | 61% | 0.61 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -51.9 | -12.3 | 172.7 | -45.4 | -110.5 | 0 | 0 | 0 | 114.3 | T26 K30 T31 | T26-D28 VanDerWaalsContact C-N 3.26Å; T26-D28 WeakPolarHBondContact CA-OD2 3.41Å; D28-K30 VanDerWaalsContact C-N 3.3Å; D28-T31 PolarHBondContact O-OG1 3.18Å |
| 29 | S | 60.2 | Low | 64.2 | Low | 46 Ų | 46 | 74 Ų | 74 | 32% | 0.322 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -79 | -8.2 | 174.9 | -57.3 | 0 | 0 | 0 | 0 | 113.8 | D27 | D27-S29 PolarHBondContact O-N 2.78Å |
| 30 | K | 73.8 | Confident | 66.2 | Low | 98 Ų | 98 | 73.8 Ų | 73.8 | 43% | 0.426 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -102.5 | -37.7 | 177.1 | -61.7 | -176.2 | -161.9 | 140.1 | 0 | 113.5 | D27 D28 N32 P82 A85 Y106 | D27-K30 PolarHBondContact O-N 2.78Å; D27-K30 WeakPolarHBondContact OD1-CD 3.24Å; D27-K30 IonicContact OD1-NZ 2.93Å; D27-K30 PolarHBondContact OD1-NZ 2.83Å; D27-K30 VanDerWaalsContact OD2-CE 3.27Å; D27-K30 WeakPolarHBondContact OD2-CE 3.22Å; D27-K30 IonicContact OD2-NZ 2.62Å; D27-K30 PolarHBondContact OD2-NZ 3.32Å; D28-K30 VanDerWaalsContact C-N 3.3Å; K30-N32 VanDerWaalsContact C-N 3.28Å; K30-N32 PolarHBondContact O-N 3.23Å; K30-P82 HydrophobicContact CB-CB 3.91Å; K30-A85 WeakPolarHBondContact O-CB 3.29Å; K30-Y106 HydrophobicContact CB-CE1 4.31Å; K30-Y106 WeakPolarHBondContact O-CD1 3.47Å; K30-Y106 WeakPolarHBondContact O-CE1 3.42Å |
| 31 | T | 86.2 | Confident | 68.5 | Low | 18 Ų | 18 | 71.1 Ų | 71.1 | 11% | 0.11 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.2 | -29.3 | 176.7 | 39 | 0 | 0 | 0 | 0 | 112.9 | D28 N78 Y79 P82 | D28-T31 PolarHBondContact O-OG1 3.18Å; T31-N78 VanDerWaalsContact C-OD1 3.28Å; T31-N78 WeakPolarHBondContact CB-OD1 3.25Å; T31-N78 WeakPolarHBondContact O-CA 3.38Å; T31-N78 PolarHBondContact O-OD1 2.9Å; T31-N78 PolarHBondContact OG1-OD1 3.27Å; T31-Y79 VanDerWaalsContact CB-O 3.32Å; T31-Y79 WeakPolarHBondContact CB-O 3.13Å; T31-Y79 WeakPolarHBondContact CG2-O 3.19Å; T31-Y79 PolarHBondContact O-N 2.74Å; T31-P82 HydrophobicContact CG2-CB 4.07Å |
| 32 | N | 90.1 | Very high | 70.5 | Confident | 51 Ų | 51 | 67 Ų | 67 | 27% | 0.273 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.9 | -174.9 | -152.6 | -42.9 | 0 | 0 | 0 | 112.2 | K30 V77 N78 A107 | K30-N32 VanDerWaalsContact C-N 3.28Å; K30-N32 PolarHBondContact O-N 3.23Å; N32-V77 CarbonylContact C-O 3.51Å; N32-N78 VanDerWaalsContact CA-OD1 3.27Å; N32-N78 WeakPolarHBondContact CA-OD1 3.32Å; N32-N78 VanDerWaalsContact CB-OD1 3.26Å; N32-N78 WeakPolarHBondContact CB-OD1 3.27Å; N32-N78 PolarHBondContact N-OD1 3.07Å; N32-A107 HydrophobicContact CB-CB 4.06Å; N32-A107 PolarHBondContact O-N 3.14Å; N32-A107 VanDerWaalsContact OD1-CB 3.26Å; N32-A107 WeakPolarHBondContact OD1-CB 3.41Å |
| 33 | L | 90.9 | Very high | 73.2 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.3 | 179.6 | -56.9 | -171.7 | 0 | 0 | 0 | 111.6 | F76 V77 Y79 A85 A88 I89 V104 S105 Y106 | L33-F76 CarbonylContact O-C 3.52Å; L33-F76 VanDerWaalsContact O-CA 3.25Å; L33-F76 WeakPolarHBondContact O-CA 3.47Å; L33-V77 PolarHBondContact N-O 3.47Å; L33-V77 PolarHBondContact O-N 2.75Å; L33-Y79 HydrophobicContact CD1-CD2 4.19Å; L33-Y79 HydrophobicContact CD1-CE2 3.75Å; L33-Y79 HydrophobicContact CG-CD2 4.46Å; L33-Y79 HydrophobicContact CG-CE2 4.44Å; L33-A85 HydrophobicContact CD1-CB 4.33Å; L33-A85 WeakPolarHBondContact CD1-O 3.31Å; L33-A85 HydrophobicContact CD2-CB 4Å; L33-A85 HydrophobicContact CG-CB 4.12Å; L33-A88 HydrophobicContact CD1-CB 3.81Å; L33-I89 HydrophobicContact CD1-CG1 4.17Å; L33-I89 HydrophobicContact CD2-CD1 3.62Å; L33-I89 HydrophobicContact CD2-CG1 3.74Å; L33-V104 HydrophobicContact CB-CG1 4.39Å; L33-V104 HydrophobicContact CD1-CG1 3.76Å; L33-S105 CarbonylContact C-O 3.59Å; L33-S105 WeakPolarHBondContact CA-O 3.31Å; L33-Y106 HydrophobicContact CD2-CD1 3.77Å; L33-Y106 HydrophobicContact CD2-CE1 4.16Å; L33-Y106 HydrophobicContact CD2-CG 4.43Å |
| 34 | I | 90.7 | Very high | 75.7 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.8 | 166.2 | -171.3 | 175.4 | 0 | 0 | 0 | 109.6 | Y74 F76 S105 A107 | I34-Y74 HydrophobicContact CD1-CD2 4.49Å; I34-F76 HydrophobicContact CB-CD1 4.03Å; I34-F76 HydrophobicContact CB-CE1 3.91Å; I34-F76 HydrophobicContact CD1-CE1 3.77Å; I34-F76 HydrophobicContact CD1-CZ 3.95Å; I34-F76 HydrophobicContact CG1-CD1 4.13Å; I34-F76 HydrophobicContact CG1-CE1 3.76Å; I34-F76 HydrophobicContact CG1-CZ 4.24Å; I34-S105 PolarHBondContact N-O 3.06Å; I34-S105 PolarHBondContact O-N 2.58Å; I34-S105 VanDerWaalsContact O-N 3.1Å; I34-A107 HydrophobicContact CB-CB 4.1Å; I34-A107 HydrophobicContact CG2-CB 4.49Å |
| 35 | V | 91.2 | Very high | 78 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.2 | 179 | -169.7 | 0 | 0 | 0 | 0 | 108.3 | L38 F47 F51 Y74 G75 V77 I102 K103 V104 | V35-L38 HydrophobicContact CB-CD1 4.44Å; V35-L38 HydrophobicContact CB-CD2 4.45Å; V35-L38 HydrophobicContact CG1-CD1 4.35Å; V35-L38 HydrophobicContact CG1-CD2 3.53Å; V35-L38 HydrophobicContact CG1-CG 4.01Å; V35-F47 HydrophobicContact CB-CE2 3.89Å; V35-F47 HydrophobicContact CB-CZ 4.05Å; V35-F47 HydrophobicContact CG1-CE2 4.11Å; V35-F47 HydrophobicContact CG2-CE2 3.89Å; V35-F47 HydrophobicContact CG2-CZ 3.84Å; V35-F51 HydrophobicContact CB-CZ 4.21Å; V35-F51 HydrophobicContact CG1-CE2 4.18Å; V35-F51 HydrophobicContact CG1-CZ 3.77Å; V35-F51 HydrophobicContact CG2-CE1 3.67Å; V35-F51 HydrophobicContact CG2-CE2 3.99Å; V35-F51 HydrophobicContact CG2-CZ 3.39Å; V35-Y74 CarbonylContact O-C 3.49Å; V35-Y74 WeakPolarHBondContact O-CA 3.26Å; V35-Y74 WeakPolarHBondContact O-CB 3.48Å; V35-G75 PolarHBondContact N-O 3.28Å; V35-G75 PolarHBondContact O-N 3.48Å; V35-V77 HydrophobicContact CG2-CG2 4.42Å; V35-I102 HydrophobicContact CG1-CB 4.36Å; V35-I102 HydrophobicContact CG1-CD1 4.29Å; V35-K103 WeakPolarHBondContact CA-O 3.18Å; V35-V104 HydrophobicContact CG1-CG2 4.13Å; V35-V104 HydrophobicContact CG2-CG1 4.41Å; V35-V104 HydrophobicContact CG2-CG2 4.38Å |
| 36 | N | 89.5 | Confident | 80.4 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 161.7 | -179.6 | -70.1 | -75.9 | 0 | 0 | 0 | 111.6 | L38 I102 K103 | N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 3.13Å; N36-I102 WeakPolarHBondContact O-CA 3.03Å; N36-K103 HydrophobicContact CB-CB 4.48Å; N36-K103 PolarHBondContact N-O 2.8Å; N36-K103 PolarHBondContact O-N 3.38Å |
| 37 | Y | 87.2 | Confident | 82.6 | Confident | 135 Ų | 135 | 56.8 Ų | 56.8 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 63.9 | 30.6 | 179.5 | -46.3 | -78.6 | 0 | 0 | 0 | 114.5 | G73 K100 T101 K103 | Y37-G73 CarbonylContact C-O 3.59Å; Y37-G73 WeakPolarHBondContact CA-O 3.4Å; Y37-G73 PolarHBondContact N-O 2.84Å; Y37-K100 VanDerWaalsContact O-CB 3.24Å; Y37-K100 WeakPolarHBondContact O-CB 3.49Å; Y37-K100 WeakPolarHBondContact O-CD 3.11Å; Y37-T101 WeakPolarHBondContact CB-O 3.26Å; Y37-K103 HydrophobicContact CD2-CB 3.82Å; Y37-K103 HydrophobicContact CE2-CB 3.99Å |
| 38 | L | 88.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -63.8 | 148.2 | 172 | -63.5 | 176.4 | 0 | 0 | 0 | 111.6 | V35 N36 M42 F47 L62 G73 K100 I102 | V35-L38 HydrophobicContact CB-CD1 4.44Å; V35-L38 HydrophobicContact CB-CD2 4.45Å; V35-L38 HydrophobicContact CG1-CD1 4.35Å; V35-L38 HydrophobicContact CG1-CD2 3.53Å; V35-L38 HydrophobicContact CG1-CG 4.01Å; N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 3.13Å; L38-M42 HydrophobicContact CD2-SD 3.92Å; L38-F47 HydrophobicContact CD1-CD2 3.77Å; L38-F47 HydrophobicContact CD1-CE2 3.52Å; L38-F47 HydrophobicContact CD1-CZ 4.16Å; L38-F47 HydrophobicContact CD2-CD2 4.2Å; L38-F47 HydrophobicContact CD2-CE2 4.09Å; L38-F47 HydrophobicContact CG-CE2 4.43Å; L38-L62 HydrophobicContact CD1-CD1 3.47Å; L38-L62 VanDerWaalsContact CD1-CD1 3.47Å; L38-G73 PolarHBondContact N-O 2.93Å; L38-G73 WeakPolarHBondContact O-CA 3.27Å; L38-K100 WeakPolarHBondContact O-CD 3.32Å; L38-K100 PolarHBondContact O-NZ 3.16Å; L38-I102 HydrophobicContact CD2-CB 4.46Å; L38-I102 HydrophobicContact CD2-CG2 3.96Å | ||
| 39 | P | 85.2 | Confident | 86.4 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.032 | 28% | 0.283 | C | S | . | . | trans | -58.7 | 150.3 | 169.3 | -21.1 | 32.8 | 0 | 0 | 0 | 112 | N41 M42 L97 | P39-N41 WeakPolarHBondContact CB-OD1 2.94Å; P39-M42 HydrophobicContact CB-CB 4.16Å; P39-M42 HydrophobicContact CG-CB 4.44Å; P39-M42 PolarHBondContact O-N 3.46Å; P39-L97 HydrophobicContact CG-CB 3.77Å | ||
| 40 | Q | 83.3 | Confident | 87.8 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -76.7 | -27.4 | -179.1 | -81.1 | -167.7 | -28.4 | 0 | 0 | 113.4 | M42 S71 | Q40-M42 VanDerWaalsContact C-N 3.34Å; Q40-S71 WeakPolarHBondContact O-CB 3.45Å |
| 41 | N | 84.6 | Confident | 88.7 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -79.1 | -12.2 | 173.6 | 53.5 | -13.2 | 0 | 0 | 0 | 113.4 | P39 T43 Q98 | P39-N41 WeakPolarHBondContact CB-OD1 2.94Å; N41-T43 PolarHBondContact O-N 3.3Å; N41-Q98 PolarHBondContact ND2-NE2 3.46Å; N41-Q98 VanDerWaalsContact ND2-NE2 3.18Å; N41-Q98 PolarHBondContact ND2-OE1 2.76Å; N41-Q98 PolarHBondContact OD1-OE1 3.46Å |
| 42 | M | 86 | Confident | 88.8 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 7% | 0.069 | 27% | 0.272 | C | S | . | . | trans | -63.8 | 130.8 | -179 | -165 | 175.9 | -165.5 | 0 | 0 | 110.9 | L38 P39 Q40 E46 F47 L50 L62 L97 | L38-M42 HydrophobicContact CD2-SD 3.92Å; P39-M42 HydrophobicContact CB-CB 4.16Å; P39-M42 HydrophobicContact CG-CB 4.44Å; P39-M42 PolarHBondContact O-N 3.46Å; Q40-M42 VanDerWaalsContact C-N 3.34Å; M42-E46 HydrophobicContact CE-CB 4.16Å; M42-E46 HydrophobicContact CG-CB 4.26Å; M42-F47 HydrophobicContact CE-CB 4.29Å; M42-F47 HydrophobicContact CE-CD2 4.43Å; M42-F47 HydrophobicContact SD-CD2 4.39Å; M42-L50 HydrophobicContact CE-CB 4.49Å; M42-L50 HydrophobicContact CE-CD2 3.9Å; M42-L62 WeakPolarHBondContact O-CD2 3.47Å; M42-L97 HydrophobicContact CE-CD1 3.9Å; M42-L97 HydrophobicContact SD-CD1 3.94Å | ||
| 43 | T | 88.4 | Confident | 88.9 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 29% | 0.288 | 29% | 0.289 | S | S | . | . | trans | -83.4 | 165 | -178.7 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | N41 E45 E46 F47 | N41-T43 PolarHBondContact O-N 3.3Å; T43-E45 VanDerWaalsContact CB-OE2 3.31Å; T43-E45 WeakPolarHBondContact CB-OE2 3.14Å; T43-E46 VanDerWaalsContact CB-OE2 3.29Å; T43-E46 WeakPolarHBondContact CB-OE2 3.42Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.28Å; T43-E46 PolarHBondContact N-OE2 2.87Å; T43-E46 VanDerWaalsContact OG1-CB 3.31Å; T43-E46 WeakPolarHBondContact OG1-CB 3.49Å; T43-E46 VanDerWaalsContact OG1-CD 3.26Å; T43-E46 WeakPolarHBondContact OG1-CG 3.32Å; T43-E46 PolarHBondContact OG1-N 2.97Å; T43-E46 PolarHBondContact OG1-OE2 3.16Å; T43-F47 VanDerWaalsContact O-CB 3.23Å; T43-F47 WeakPolarHBondContact O-CB 3.33Å; T43-F47 PolarHBondContact O-N 3.48Å; T43-F47 VanDerWaalsContact O-N 3.16Å | ||
| 44 | Q | 87.4 | Confident | 88.9 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 23% | 0.234 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.5 | -28.2 | 174.9 | 164.5 | 72.8 | 13.8 | 0 | 0 | 109.7 | K48 C60 L62 | Q44-K48 WeakPolarHBondContact O-CB 3.38Å; Q44-K48 PolarHBondContact O-N 3.2Å; Q44-C60 PolarHBondContact NE2-O 3.37Å; Q44-L62 VanDerWaalsContact OE1-CB 3.3Å |
| 45 | E | 89.6 | Confident | 88.8 | Confident | 125 Ų | 125 | 55.4 Ų | 55.4 | 58% | 0.584 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -74.6 | -51.1 | -176.7 | -61.6 | 64 | -145.1 | 0 | 0 | 110.4 | T43 F47 K48 S49 | T43-E45 VanDerWaalsContact CB-OE2 3.31Å; T43-E45 WeakPolarHBondContact CB-OE2 3.14Å; E45-F47 VanDerWaalsContact C-N 3.3Å; E45-F47 PolarHBondContact O-N 2.67Å; E45-K48 PolarHBondContact O-N 3.26Å; E45-S49 WeakPolarHBondContact O-CB 3.24Å; E45-S49 PolarHBondContact O-N 3.45Å |
| 46 | E | 89.9 | Confident | 88.8 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 169.1 | -71.5 | 162.9 | 123.3 | 0 | 0 | 111.6 | M42 T43 S49 L50 | M42-E46 HydrophobicContact CE-CB 4.16Å; M42-E46 HydrophobicContact CG-CB 4.26Å; T43-E46 VanDerWaalsContact CB-OE2 3.29Å; T43-E46 WeakPolarHBondContact CB-OE2 3.42Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.28Å; T43-E46 PolarHBondContact N-OE2 2.87Å; T43-E46 VanDerWaalsContact OG1-CB 3.31Å; T43-E46 WeakPolarHBondContact OG1-CB 3.49Å; T43-E46 VanDerWaalsContact OG1-CD 3.26Å; T43-E46 WeakPolarHBondContact OG1-CG 3.32Å; T43-E46 PolarHBondContact OG1-N 2.97Å; T43-E46 PolarHBondContact OG1-OE2 3.16Å; E46-S49 PolarHBondContact O-N 3.4Å; E46-L50 WeakPolarHBondContact O-CB 3.33Å; E46-L50 PolarHBondContact O-N 2.62Å |
| 47 | F | 91 | Very high | 89 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 179.7 | -177.3 | -112.4 | 0 | 0 | 0 | 111.9 | V35 L38 M42 T43 E45 F51 L62 V77 | V35-F47 HydrophobicContact CB-CE2 3.89Å; V35-F47 HydrophobicContact CB-CZ 4.05Å; V35-F47 HydrophobicContact CG1-CE2 4.11Å; V35-F47 HydrophobicContact CG2-CE2 3.89Å; V35-F47 HydrophobicContact CG2-CZ 3.84Å; L38-F47 HydrophobicContact CD1-CD2 3.77Å; L38-F47 HydrophobicContact CD1-CE2 3.52Å; L38-F47 HydrophobicContact CD1-CZ 4.16Å; L38-F47 HydrophobicContact CD2-CD2 4.2Å; L38-F47 HydrophobicContact CD2-CE2 4.09Å; L38-F47 HydrophobicContact CG-CE2 4.43Å; M42-F47 HydrophobicContact CE-CB 4.29Å; M42-F47 HydrophobicContact CE-CD2 4.43Å; M42-F47 HydrophobicContact SD-CD2 4.39Å; T43-F47 VanDerWaalsContact O-CB 3.23Å; T43-F47 WeakPolarHBondContact O-CB 3.33Å; T43-F47 PolarHBondContact O-N 3.48Å; T43-F47 VanDerWaalsContact O-N 3.16Å; E45-F47 VanDerWaalsContact C-N 3.3Å; E45-F47 PolarHBondContact O-N 2.67Å; F47-F51 AromaticContact CD2-CD2 3.99Å; F47-F51 HydrophobicContact CD2-CD2 3.99Å; F47-F51 AromaticContact CD2-CE2 3.96Å; F47-F51 HydrophobicContact CD2-CE2 3.96Å; F47-F51 AromaticContact CE2-CD2 3.81Å; F47-F51 HydrophobicContact CE2-CD2 3.81Å; F47-F51 AromaticContact CE2-CE2 3.57Å; F47-F51 HydrophobicContact CE2-CE2 3.57Å; F47-F51 HydrophobicContact CE2-CZ 4.38Å; F47-F51 HydrophobicContact CZ-CD2 4.42Å; F47-F51 HydrophobicContact CZ-CE2 4.41Å; F47-F51 WeakPolarHBondContact O-CD2 3.4Å; F47-F51 PolarHBondContact O-N 2.93Å; F47-L62 HydrophobicContact CD1-CB 4.24Å; F47-V77 HydrophobicContact CE1-CG2 3.65Å; F47-V77 HydrophobicContact CE2-CG2 4.41Å; F47-V77 HydrophobicContact CZ-CG2 3.52Å |
| 48 | K | 90.9 | Very high | 89.1 | Confident | 111 Ų | 111 | 60.6 Ų | 60.6 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 172.7 | -174.9 | 173.7 | -174.4 | 179.8 | 0 | 111.3 | Q44 E45 G52 C60 | Q44-K48 WeakPolarHBondContact O-CB 3.38Å; Q44-K48 PolarHBondContact O-N 3.2Å; E45-K48 PolarHBondContact O-N 3.26Å; K48-G52 WeakPolarHBondContact O-CA 3.37Å; K48-G52 PolarHBondContact O-N 3.37Å; K48-C60 VanDerWaalsContact CG-SG 3.51Å |
| 49 | S | 90.8 | Very high | 89 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 61% | 0.608 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | -176.6 | -164.3 | 0 | 0 | 0 | 0 | 112.3 | E45 E46 F51 G52 S53 | E45-S49 WeakPolarHBondContact O-CB 3.24Å; E45-S49 PolarHBondContact O-N 3.45Å; E46-S49 PolarHBondContact O-N 3.4Å; S49-F51 PolarHBondContact O-N 2.91Å; S49-G52 PolarHBondContact O-N 3.32Å; S49-S53 PolarHBondContact O-N 3.07Å |
| 50 | L | 90.2 | Very high | 89.2 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.6 | -51.1 | 177.7 | 179.4 | 64.3 | 0 | 0 | 0 | 111.8 | M42 E46 S53 L92 L95 L97 | M42-L50 HydrophobicContact CE-CB 4.49Å; M42-L50 HydrophobicContact CE-CD2 3.9Å; E46-L50 WeakPolarHBondContact O-CB 3.33Å; E46-L50 PolarHBondContact O-N 2.62Å; L50-S53 PolarHBondContact O-OG 3.02Å; L50-L92 HydrophobicContact CD1-CD2 4.23Å; L50-L95 HydrophobicContact CD1-CD2 4.12Å; L50-L95 HydrophobicContact CD2-CD2 4.21Å; L50-L97 HydrophobicContact CD2-CD1 4.04Å |
| 51 | F | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -75.9 | -31.1 | -178.1 | -78.5 | -94.4 | 0 | 0 | 0 | 112.3 | V35 F47 S49 S53 I54 I57 V77 Y79 A88 L92 I102 V104 | V35-F51 HydrophobicContact CB-CZ 4.21Å; V35-F51 HydrophobicContact CG1-CE2 4.18Å; V35-F51 HydrophobicContact CG1-CZ 3.77Å; V35-F51 HydrophobicContact CG2-CE1 3.67Å; V35-F51 HydrophobicContact CG2-CE2 3.99Å; V35-F51 HydrophobicContact CG2-CZ 3.39Å; F47-F51 AromaticContact CD2-CD2 3.99Å; F47-F51 HydrophobicContact CD2-CD2 3.99Å; F47-F51 AromaticContact CD2-CE2 3.96Å; F47-F51 HydrophobicContact CD2-CE2 3.96Å; F47-F51 AromaticContact CE2-CD2 3.81Å; F47-F51 HydrophobicContact CE2-CD2 3.81Å; F47-F51 AromaticContact CE2-CE2 3.57Å; F47-F51 HydrophobicContact CE2-CE2 3.57Å; F47-F51 HydrophobicContact CE2-CZ 4.38Å; F47-F51 HydrophobicContact CZ-CD2 4.42Å; F47-F51 HydrophobicContact CZ-CE2 4.41Å; F47-F51 WeakPolarHBondContact O-CD2 3.4Å; F47-F51 PolarHBondContact O-N 2.93Å; S49-F51 PolarHBondContact O-N 2.91Å; F51-S53 PolarHBondContact O-N 3Å; F51-I54 PolarHBondContact O-N 3.32Å; F51-I54 VanDerWaalsContact O-N 3.16Å; F51-I57 HydrophobicContact CB-CD1 3.69Å; F51-V77 HydrophobicContact CB-CG1 4.22Å; F51-V77 HydrophobicContact CB-CG2 4.15Å; F51-V77 HydrophobicContact CD1-CG2 4.07Å; F51-V77 HydrophobicContact CD2-CG2 4.37Å; F51-V77 HydrophobicContact CG-CG2 3.91Å; F51-Y79 WeakPolarHBondContact CB-OH 3.46Å; F51-Y79 PolarHBondContact O-OH 2.82Å; F51-A88 HydrophobicContact CD1-CB 4.47Å; F51-L92 HydrophobicContact CD1-CD1 3.55Å; F51-L92 HydrophobicContact CD2-CD1 4.31Å; F51-L92 HydrophobicContact CE1-CB 4.28Å; F51-L92 HydrophobicContact CE1-CD1 3.48Å; F51-L92 VanDerWaalsContact CE1-CD1 3.48Å; F51-L92 HydrophobicContact CE2-CD1 4.25Å; F51-L92 HydrophobicContact CG-CD1 3.96Å; F51-L92 HydrophobicContact CZ-CB 4.31Å; F51-L92 HydrophobicContact CZ-CD1 3.83Å; F51-I102 HydrophobicContact CZ-CD1 4.31Å; F51-V104 HydrophobicContact CE1-CG1 4.09Å; F51-V104 HydrophobicContact CE1-CG2 3.92Å; F51-V104 HydrophobicContact CZ-CG2 3.79Å |
| 52 | G | 89.8 | Confident | 89.7 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.3 | -11.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | K48 S49 I54 I57 | K48-G52 WeakPolarHBondContact O-CA 3.37Å; K48-G52 PolarHBondContact O-N 3.37Å; S49-G52 PolarHBondContact O-N 3.32Å; G52-I54 PolarHBondContact O-N 3.28Å; G52-I57 VanDerWaalsContact N-CD1 3.33Å |
| 53 | S | 91.3 | Very high | 89.8 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -16 | 170.3 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | S49 L50 F51 | S49-S53 PolarHBondContact O-N 3.07Å; L50-S53 PolarHBondContact O-OG 3.02Å; F51-S53 PolarHBondContact O-N 3Å |
| 54 | I | 91.4 | Very high | 89.6 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -31 | -178.5 | -52.5 | -61.4 | 0 | 0 | 0 | 112.5 | F51 G52 K87 A88 T91 L92 | F51-I54 PolarHBondContact O-N 3.32Å; F51-I54 VanDerWaalsContact O-N 3.16Å; G52-I54 PolarHBondContact O-N 3.28Å; I54-K87 HydrophobicContact CG2-CB 3.61Å; I54-A88 HydrophobicContact CB-CB 4.3Å; I54-A88 HydrophobicContact CG1-CB 4.32Å; I54-A88 HydrophobicContact CG2-CB 3.96Å; I54-T91 HydrophobicContact CD1-CG2 4.05Å; I54-L92 HydrophobicContact CD1-CD1 4.33Å; I54-L92 HydrophobicContact CD1-CD2 4.39Å; I54-L92 HydrophobicContact CD1-CG 4.26Å; I54-L92 HydrophobicContact CG1-CD1 3.75Å; I54-L92 HydrophobicContact CG1-CG 4.18Å |
| 55 | G | 89 | Confident | 89.3 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 173.1 | 176.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I57 D84 | G55-I57 PolarHBondContact O-N 3.45Å; G55-D84 WeakPolarHBondContact CA-OD2 3.34Å |
| 56 | E | 91.4 | Very high | 88.6 | Confident | 144 Ų | 144 | 68.8 Ų | 68.8 | 67% | 0.673 | 36% | 0.36 | S | S | * | . | trans | -77.1 | 123.9 | -173.3 | -167.5 | 167.5 | 172.2 | 0 | 0 | 112.7 | Y79 V80 | E56-Y79 CarbonylContact O-C 3.52Å; E56-Y79 WeakPolarHBondContact O-CA 3.41Å; E56-Y79 WeakPolarHBondContact O-CD1 3.25Å; E56-V80 HydrophobicContact CB-CB 4.48Å; E56-V80 HydrophobicContact CB-CG2 4.16Å; E56-V80 HydrophobicContact CG-CG2 3.92Å; E56-V80 PolarHBondContact O-N 3.01Å | ||
| 57 | I | 91.9 | Very high | 87.8 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.108 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.3 | -179.6 | -66.6 | 177.6 | 0 | 0 | 0 | 110.1 | F51 G52 G55 S59 C60 V77 Y79 | F51-I57 HydrophobicContact CB-CD1 3.69Å; G52-I57 VanDerWaalsContact N-CD1 3.33Å; G55-I57 PolarHBondContact O-N 3.45Å; I57-S59 VanDerWaalsContact CG2-C 3.42Å; I57-S59 WeakPolarHBondContact CG2-O 3.38Å; I57-C60 HydrophobicContact CG2-CB 3.84Å; I57-V77 HydrophobicContact CD1-CG1 3.77Å; I57-V77 HydrophobicContact CG1-CG1 3.81Å; I57-V77 HydrophobicContact CG2-CG1 4.12Å; I57-Y79 HydrophobicContact CG1-CD1 4.21Å; I57-Y79 HydrophobicContact CG1-CE1 3.9Å |
| 58 | E | 89.6 | Confident | 87 | Confident | 130 Ų | 130 | 73.3 Ų | 73.3 | 61% | 0.607 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -43.6 | 168.2 | -171.3 | -144.8 | 73 | 0 | 0 | 110.9 | N78 V80 | E58-N78 VanDerWaalsContact CD-ND2 3.29Å; E58-N78 PolarHBondContact N-O 3.47Å; E58-N78 PolarHBondContact OE1-ND2 3.5Å; E58-N78 PolarHBondContact OE2-ND2 2.95Å; E58-V80 HydrophobicContact CB-CG2 3.95Å |
| 59 | S | 86.6 | Confident | 86.3 | Confident | 65 Ų | 65 | 70.2 Ų | 70.2 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 138.2 | -179.4 | -155.9 | 0 | 0 | 0 | 0 | 112.9 | I57 V77 N78 | I57-S59 VanDerWaalsContact CG2-C 3.42Å; I57-S59 WeakPolarHBondContact CG2-O 3.38Å; S59-V77 CarbonylContact O-C 3.59Å; S59-V77 WeakPolarHBondContact O-CA 3.37Å; S59-N78 PolarHBondContact N-O 3.34Å; S59-N78 PolarHBondContact O-N 3.18Å |
| 60 | C | 89.4 | Confident | 85.6 | Confident | 19 Ų | 19 | 71.3 Ų | 71.3 | 13% | 0.128 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.7 | 172.2 | 54.1 | 0 | 0 | 0 | 0 | 111 | Q44 K48 I57 F76 V77 | Q44-C60 PolarHBondContact NE2-O 3.37Å; K48-C60 VanDerWaalsContact CG-SG 3.51Å; I57-C60 HydrophobicContact CG2-CB 3.84Å; C60-F76 CarbonylContact C-O 3.52Å; C60-F76 WeakPolarHBondContact CA-O 3.39Å; C60-V77 HydrophobicContact CB-CG2 4.43Å |
| 61 | K | 89.1 | Confident | 85.2 | Confident | 142 Ų | 142 | 69.5 Ų | 69.5 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 97 | -173.4 | -169.3 | 169.4 | -170.6 | 163.3 | 0 | 112 | V63 G75 F76 | K61-V63 PolarHBondContact O-N 2.89Å; K61-G75 CarbonylContact O-C 3.53Å; K61-G75 VanDerWaalsContact O-CA 3.26Å; K61-G75 WeakPolarHBondContact O-CA 3.5Å; K61-F76 PolarHBondContact N-O 2.79Å; K61-F76 PolarHBondContact O-N 3.1Å |
| 62 | L | 89.9 | Confident | 84.8 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 126.3 | 163.6 | -177.3 | 65.3 | 0 | 0 | 0 | 109.2 | L38 M42 Q44 F47 R64 | L38-L62 HydrophobicContact CD1-CD1 3.47Å; L38-L62 VanDerWaalsContact CD1-CD1 3.47Å; M42-L62 WeakPolarHBondContact O-CD2 3.47Å; Q44-L62 VanDerWaalsContact OE1-CB 3.3Å; F47-L62 HydrophobicContact CD1-CB 4.24Å; L62-R64 HydrophobicContact CG-CG 4.49Å; L62-R64 PolarHBondContact O-N 3.43Å |
| 63 | V | 87 | Confident | 84.5 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 115.5 | -178.9 | -167.8 | 0 | 0 | 0 | 0 | 109.7 | K61 L72 Y74 F76 | K61-V63 PolarHBondContact O-N 2.89Å; V63-L72 HydrophobicContact CG1-CD1 3.8Å; V63-L72 HydrophobicContact CG1-CG 4.48Å; V63-L72 WeakPolarHBondContact O-CB 3.4Å; V63-L72 PolarHBondContact O-N 2.92Å; V63-Y74 HydrophobicContact CB-CD2 4.2Å; V63-Y74 HydrophobicContact CB-CE1 4.36Å; V63-Y74 HydrophobicContact CB-CE2 3.85Å; V63-Y74 HydrophobicContact CG1-CE2 4.21Å; V63-Y74 HydrophobicContact CG2-CD2 3.84Å; V63-Y74 HydrophobicContact CG2-CE2 3.52Å; V63-Y74 PolarHBondContact N-O 2.8Å; V63-F76 HydrophobicContact CG2-CD2 3.85Å; V63-F76 HydrophobicContact CG2-CE2 3.79Å |
| 64 | R | 85.3 | Confident | 84.5 | Confident | 106 Ų | 106 | 70.6 Ų | 70.6 | 40% | 0.4 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 148.7 | 176.2 | -64.9 | -179.9 | 174.7 | 171.1 | -0.5 | 110.7 | L62 G69 Q70 | L62-R64 HydrophobicContact CG-CG 4.49Å; L62-R64 PolarHBondContact O-N 3.43Å; R64-G69 WeakPolarHBondContact CD-O 3.36Å; R64-Q70 CarbonylContact C-O 3.51Å; R64-Q70 VanDerWaalsContact CA-O 3.26Å; R64-Q70 WeakPolarHBondContact CA-O 3.36Å |
| 65 | D | 80.9 | Confident | 84.4 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 25% | 0.246 | 35% | 0.351 | C | S | . | . | trans | -64.3 | 134.5 | 173.5 | -176.2 | -90.5 | 0 | 0 | 0 | 110.9 | I67 T68 G69 Q70 L72 | D65-I67 VanDerWaalsContact C-N 3.28Å; D65-I67 PolarHBondContact O-N 3.18Å; D65-I67 VanDerWaalsContact OD1-CA 3.31Å; D65-I67 WeakPolarHBondContact OD1-CA 3.48Å; D65-I67 WeakPolarHBondContact OD1-CB 3.33Å; D65-I67 PolarHBondContact OD1-N 2.7Å; D65-T68 WeakPolarHBondContact CB-OG1 3.33Å; D65-T68 PolarHBondContact OD1-N 2.89Å; D65-T68 PolarHBondContact OD1-OG1 3.35Å; D65-G69 VanDerWaalsContact O-CA 3.23Å; D65-G69 WeakPolarHBondContact O-CA 3.37Å; D65-G69 PolarHBondContact O-N 3.42Å; D65-Q70 PolarHBondContact N-O 3.35Å; D65-L72 HydrophobicContact CB-CD2 3.9Å | ||
| 66 | K | 73.9 | Confident | 84.6 | Confident | 210 Ų | 210 | 71.1 Ų | 71.1 | 91% | 0.913 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10 | -176.1 | -71.7 | -169.2 | 174.7 | -171.5 | 0 | 114.5 | ||
| 67 | I | 72.9 | Confident | 84.7 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 54% | 0.544 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -30.5 | -171.2 | -57.3 | 174.7 | 0 | 0 | 0 | 111.4 | D65 K316 | D65-I67 VanDerWaalsContact C-N 3.28Å; D65-I67 PolarHBondContact O-N 3.18Å; D65-I67 VanDerWaalsContact OD1-CA 3.31Å; D65-I67 WeakPolarHBondContact OD1-CA 3.48Å; D65-I67 WeakPolarHBondContact OD1-CB 3.33Å; D65-I67 PolarHBondContact OD1-N 2.7Å; I67-K316 PolarHBondContact O-NZ 3.49Å |
| 68 | T | 75.6 | Confident | 84.6 | Confident | 85 Ų | 85 | 64.4 Ų | 64.4 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -17.9 | 177.9 | 71.4 | 0 | 0 | 0 | 0 | 113.6 | D65 Q70 | D65-T68 WeakPolarHBondContact CB-OG1 3.33Å; D65-T68 PolarHBondContact OD1-N 2.89Å; D65-T68 PolarHBondContact OD1-OG1 3.35Å; T68-Q70 PolarHBondContact O-N 2.84Å; T68-Q70 PolarHBondContact OG1-N 2.89Å |
| 69 | G | 75.4 | Confident | 84.8 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | trans | 74.4 | -4.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R64 D65 | R64-G69 WeakPolarHBondContact CD-O 3.36Å; D65-G69 VanDerWaalsContact O-CA 3.23Å; D65-G69 WeakPolarHBondContact O-CA 3.37Å; D65-G69 PolarHBondContact O-N 3.42Å | ||
| 70 | Q | 75.4 | Confident | 84.9 | Confident | 111 Ų | 111 | 58.7 Ų | 58.7 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | trans | -69.9 | 145.8 | -178 | -66.3 | -177.2 | -10.5 | 0 | 0 | 111.8 | R64 D65 T68 L72 | R64-Q70 CarbonylContact C-O 3.51Å; R64-Q70 VanDerWaalsContact CA-O 3.26Å; R64-Q70 WeakPolarHBondContact CA-O 3.36Å; D65-Q70 PolarHBondContact N-O 3.35Å; T68-Q70 PolarHBondContact O-N 2.84Å; T68-Q70 PolarHBondContact OG1-N 2.89Å; Q70-L72 PolarHBondContact O-N 3.21Å | ||
| 71 | S | 81.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 129.6 | 171.2 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | Q40 G73 | Q40-S71 WeakPolarHBondContact O-CB 3.45Å; S71-G73 PolarHBondContact O-N 2.92Å; S71-G73 PolarHBondContact OG-N 2.84Å; S71-G73 VanDerWaalsContact OG-N 3.14Å |
| 72 | L | 82.4 | Confident | 85 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 0.4 | 172.2 | -60.5 | -174.5 | 0 | 0 | 0 | 112.3 | V63 D65 Q70 Y74 | V63-L72 HydrophobicContact CG1-CD1 3.8Å; V63-L72 HydrophobicContact CG1-CG 4.48Å; V63-L72 WeakPolarHBondContact O-CB 3.4Å; V63-L72 PolarHBondContact O-N 2.92Å; D65-L72 HydrophobicContact CB-CD2 3.9Å; Q70-L72 PolarHBondContact O-N 3.21Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 HydrophobicContact CB-CD1 3.74Å; L72-Y74 HydrophobicContact CB-CE1 3.53Å; L72-Y74 HydrophobicContact CD1-CE1 3.79Å; L72-Y74 HydrophobicContact CG-CE1 4.32Å |
| 73 | G | 85.2 | Confident | 85 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.9 | 21.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y37 L38 S71 | Y37-G73 CarbonylContact C-O 3.59Å; Y37-G73 WeakPolarHBondContact CA-O 3.4Å; Y37-G73 PolarHBondContact N-O 2.84Å; L38-G73 PolarHBondContact N-O 2.93Å; L38-G73 WeakPolarHBondContact O-CA 3.27Å; S71-G73 PolarHBondContact O-N 2.92Å; S71-G73 PolarHBondContact OG-N 2.84Å; S71-G73 VanDerWaalsContact OG-N 3.14Å |
| 74 | Y | 89.5 | Confident | 85.3 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 157 | 169.4 | 71.9 | -83.9 | 0 | 0 | 0 | 112 | I34 V35 V63 L72 F76 | I34-Y74 HydrophobicContact CD1-CD2 4.49Å; V35-Y74 CarbonylContact O-C 3.49Å; V35-Y74 WeakPolarHBondContact O-CA 3.26Å; V35-Y74 WeakPolarHBondContact O-CB 3.48Å; V63-Y74 HydrophobicContact CB-CD2 4.2Å; V63-Y74 HydrophobicContact CB-CE1 4.36Å; V63-Y74 HydrophobicContact CB-CE2 3.85Å; V63-Y74 HydrophobicContact CG1-CE2 4.21Å; V63-Y74 HydrophobicContact CG2-CD2 3.84Å; V63-Y74 HydrophobicContact CG2-CE2 3.52Å; V63-Y74 PolarHBondContact N-O 2.8Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 HydrophobicContact CB-CD1 3.74Å; L72-Y74 HydrophobicContact CB-CE1 3.53Å; L72-Y74 HydrophobicContact CD1-CE1 3.79Å; L72-Y74 HydrophobicContact CG-CE1 4.32Å; Y74-F76 HydrophobicContact CD2-CE2 4.21Å; Y74-F76 AromaticContact CE2-CE2 3.91Å; Y74-F76 HydrophobicContact CE2-CE2 3.91Å; Y74-F76 HydrophobicContact CE2-CZ 4.28Å |
| 75 | G | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 170.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V35 K61 | V35-G75 PolarHBondContact N-O 3.28Å; V35-G75 PolarHBondContact O-N 3.48Å; K61-G75 CarbonylContact O-C 3.53Å; K61-G75 VanDerWaalsContact O-CA 3.26Å; K61-G75 WeakPolarHBondContact O-CA 3.5Å |
| 76 | F | 91.9 | Very high | 86 | Confident | 66 Ų | 66 | 56.7 Ų | 56.7 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.1 | 174.9 | -63.1 | -86 | 0 | 0 | 0 | 110.8 | L33 I34 C60 K61 V63 Y74 A107 | L33-F76 CarbonylContact O-C 3.52Å; L33-F76 VanDerWaalsContact O-CA 3.25Å; L33-F76 WeakPolarHBondContact O-CA 3.47Å; I34-F76 HydrophobicContact CB-CD1 4.03Å; I34-F76 HydrophobicContact CB-CE1 3.91Å; I34-F76 HydrophobicContact CD1-CE1 3.77Å; I34-F76 HydrophobicContact CD1-CZ 3.95Å; I34-F76 HydrophobicContact CG1-CD1 4.13Å; I34-F76 HydrophobicContact CG1-CE1 3.76Å; I34-F76 HydrophobicContact CG1-CZ 4.24Å; C60-F76 CarbonylContact C-O 3.52Å; C60-F76 WeakPolarHBondContact CA-O 3.39Å; K61-F76 PolarHBondContact N-O 2.79Å; K61-F76 PolarHBondContact O-N 3.1Å; V63-F76 HydrophobicContact CG2-CD2 3.85Å; V63-F76 HydrophobicContact CG2-CE2 3.79Å; Y74-F76 HydrophobicContact CD2-CE2 4.21Å; Y74-F76 AromaticContact CE2-CE2 3.91Å; Y74-F76 HydrophobicContact CE2-CE2 3.91Å; Y74-F76 HydrophobicContact CE2-CZ 4.28Å; F76-A107 HydrophobicContact CD1-CB 4Å; F76-A107 HydrophobicContact CE1-CB 4.24Å |
| 77 | V | 92.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 119 | 174.8 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | N32 L33 V35 F47 F51 I57 S59 C60 Y79 | N32-V77 CarbonylContact C-O 3.51Å; L33-V77 PolarHBondContact N-O 3.47Å; L33-V77 PolarHBondContact O-N 2.75Å; V35-V77 HydrophobicContact CG2-CG2 4.42Å; F47-V77 HydrophobicContact CE1-CG2 3.65Å; F47-V77 HydrophobicContact CE2-CG2 4.41Å; F47-V77 HydrophobicContact CZ-CG2 3.52Å; F51-V77 HydrophobicContact CB-CG1 4.22Å; F51-V77 HydrophobicContact CB-CG2 4.15Å; F51-V77 HydrophobicContact CD1-CG2 4.07Å; F51-V77 HydrophobicContact CD2-CG2 4.37Å; F51-V77 HydrophobicContact CG-CG2 3.91Å; I57-V77 HydrophobicContact CD1-CG1 3.77Å; I57-V77 HydrophobicContact CG1-CG1 3.81Å; I57-V77 HydrophobicContact CG2-CG1 4.12Å; S59-V77 CarbonylContact O-C 3.59Å; S59-V77 WeakPolarHBondContact O-CA 3.37Å; C60-V77 HydrophobicContact CB-CG2 4.43Å; V77-Y79 HydrophobicContact CB-CE2 4.42Å; V77-Y79 HydrophobicContact CG1-CD2 3.98Å; V77-Y79 HydrophobicContact CG1-CE2 3.61Å |
| 78 | N | 91.4 | Very high | 87.8 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 118.3 | 167.6 | -154 | 45.5 | 0 | 0 | 0 | 108.1 | T31 N32 E58 S59 | T31-N78 VanDerWaalsContact C-OD1 3.28Å; T31-N78 WeakPolarHBondContact CB-OD1 3.25Å; T31-N78 WeakPolarHBondContact O-CA 3.38Å; T31-N78 PolarHBondContact O-OD1 2.9Å; T31-N78 PolarHBondContact OG1-OD1 3.27Å; N32-N78 VanDerWaalsContact CA-OD1 3.27Å; N32-N78 WeakPolarHBondContact CA-OD1 3.32Å; N32-N78 VanDerWaalsContact CB-OD1 3.26Å; N32-N78 WeakPolarHBondContact CB-OD1 3.27Å; N32-N78 PolarHBondContact N-OD1 3.07Å; E58-N78 VanDerWaalsContact CD-ND2 3.29Å; E58-N78 PolarHBondContact N-O 3.47Å; E58-N78 PolarHBondContact OE1-ND2 3.5Å; E58-N78 PolarHBondContact OE2-ND2 2.95Å; S59-N78 PolarHBondContact N-O 3.34Å; S59-N78 PolarHBondContact O-N 3.18Å |
| 79 | Y | 92.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 156.2 | 169.1 | -74.9 | -89.7 | 0 | 0 | 0 | 110.5 | T31 L33 F51 E56 I57 V77 D81 D84 A85 A88 | T31-Y79 VanDerWaalsContact CB-O 3.32Å; T31-Y79 WeakPolarHBondContact CB-O 3.13Å; T31-Y79 WeakPolarHBondContact CG2-O 3.19Å; T31-Y79 PolarHBondContact O-N 2.74Å; L33-Y79 HydrophobicContact CD1-CD2 4.19Å; L33-Y79 HydrophobicContact CD1-CE2 3.75Å; L33-Y79 HydrophobicContact CG-CD2 4.46Å; L33-Y79 HydrophobicContact CG-CE2 4.44Å; F51-Y79 WeakPolarHBondContact CB-OH 3.46Å; F51-Y79 PolarHBondContact O-OH 2.82Å; E56-Y79 CarbonylContact O-C 3.52Å; E56-Y79 WeakPolarHBondContact O-CA 3.41Å; E56-Y79 WeakPolarHBondContact O-CD1 3.25Å; I57-Y79 HydrophobicContact CG1-CD1 4.21Å; I57-Y79 HydrophobicContact CG1-CE1 3.9Å; V77-Y79 HydrophobicContact CB-CE2 4.42Å; V77-Y79 HydrophobicContact CG1-CD2 3.98Å; V77-Y79 HydrophobicContact CG1-CE2 3.61Å; Y79-D81 WeakPolarHBondContact CB-O 3.23Å; Y79-D84 HydrophobicContact CD1-CB 3.76Å; Y79-D84 HydrophobicContact CE1-CB 4.27Å; Y79-D84 HydrophobicContact CG-CB 4.25Å; Y79-A85 HydrophobicContact CD2-CB 3.8Å; Y79-A85 HydrophobicContact CG-CB 4.29Å; Y79-A88 HydrophobicContact CE2-CB 3.7Å; Y79-A88 WeakPolarHBondContact OH-CB 3.09Å |
| 80 | V | 89.7 | Confident | 89.3 | Confident | 75 Ų | 75 | 46.9 Ų | 46.9 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -67 | -45.5 | 166.8 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | E56 E58 | E56-V80 HydrophobicContact CB-CB 4.48Å; E56-V80 HydrophobicContact CB-CG2 4.16Å; E56-V80 HydrophobicContact CG-CG2 3.92Å; E56-V80 PolarHBondContact O-N 3.01Å; E58-V80 HydrophobicContact CB-CG2 3.95Å |
| 81 | D | 90.1 | Very high | 90 | Very high | 77 Ų | 77 | 45.9 Ų | 45.9 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -100.4 | 129.7 | -178.3 | -99.4 | -71.4 | 0 | 0 | 0 | 113 | Y79 N83 D84 A85 | Y79-D81 WeakPolarHBondContact CB-O 3.23Å; D81-N83 PolarHBondContact O-N 2.92Å; D81-D84 HydrophobicContact CB-CB 4.28Å; D81-D84 PolarHBondContact O-N 3.45Å; D81-D84 VanDerWaalsContact O-N 3.16Å; D81-A85 PolarHBondContact O-N 2.76Å |
| 82 | P | 89.5 | Confident | 90.4 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.2 | -23.5 | 174.8 | 27.9 | -34.1 | 0 | 0 | 0 | 112.4 | K30 T31 D84 A85 D86 | K30-P82 HydrophobicContact CB-CB 3.91Å; T31-P82 HydrophobicContact CG2-CB 4.07Å; P82-D84 VanDerWaalsContact C-N 3.32Å; P82-A85 PolarHBondContact O-N 2.74Å; P82-D86 PolarHBondContact O-N 2.95Å; P82-D86 VanDerWaalsContact O-N 3.13Å |
| 83 | N | 91.3 | Very high | 90.8 | Very high | 106 Ų | 106 | 46.5 Ų | 46.5 | 57% | 0.567 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.8 | -36.8 | 173.4 | -64.7 | -59.9 | 0 | 0 | 0 | 111.8 | D81 D86 K87 | D81-N83 PolarHBondContact O-N 2.92Å; N83-D86 PolarHBondContact O-N 3.13Å; N83-K87 WeakPolarHBondContact O-CG 3.15Å; N83-K87 PolarHBondContact O-N 3.41Å |
| 84 | D | 92.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -77.9 | -31.2 | 179.7 | -71.5 | -5.8 | 0 | 0 | 0 | 111.7 | G55 Y79 D81 P82 K87 A88 | G55-D84 WeakPolarHBondContact CA-OD2 3.34Å; Y79-D84 HydrophobicContact CD1-CB 3.76Å; Y79-D84 HydrophobicContact CE1-CB 4.27Å; Y79-D84 HydrophobicContact CG-CB 4.25Å; D81-D84 HydrophobicContact CB-CB 4.28Å; D81-D84 PolarHBondContact O-N 3.45Å; D81-D84 VanDerWaalsContact O-N 3.16Å; P82-D84 VanDerWaalsContact C-N 3.32Å; D84-K87 PolarHBondContact O-N 2.88Å; D84-K87 WeakPolarHBondContact OD1-CE 3.43Å; D84-K87 IonicContact OD1-NZ 2.66Å; D84-K87 PolarHBondContact OD1-NZ 3.16Å; D84-A88 VanDerWaalsContact O-CB 3.25Å; D84-A88 WeakPolarHBondContact O-CB 3.35Å; D84-A88 PolarHBondContact O-N 3.03Å |
| 85 | A | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K30 L33 Y79 D81 P82 A88 I89 | K30-A85 WeakPolarHBondContact O-CB 3.29Å; L33-A85 HydrophobicContact CD1-CB 4.33Å; L33-A85 WeakPolarHBondContact CD1-O 3.31Å; L33-A85 HydrophobicContact CD2-CB 4Å; L33-A85 HydrophobicContact CG-CB 4.12Å; Y79-A85 HydrophobicContact CD2-CB 3.8Å; Y79-A85 HydrophobicContact CG-CB 4.29Å; D81-A85 PolarHBondContact O-N 2.76Å; P82-A85 PolarHBondContact O-N 2.74Å; A85-A88 PolarHBondContact O-N 3.06Å; A85-I89 PolarHBondContact O-N 3.49Å |
| 86 | D | 91.4 | Very high | 90.7 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 175.4 | -171 | -94.7 | 0 | 0 | 0 | 112.3 | P82 N83 A88 I89 N90 Y106 | P82-D86 PolarHBondContact O-N 2.95Å; P82-D86 VanDerWaalsContact O-N 3.13Å; N83-D86 PolarHBondContact O-N 3.13Å; D86-A88 PolarHBondContact O-N 3.18Å; D86-I89 PolarHBondContact O-N 2.78Å; D86-N90 PolarHBondContact O-N 2.86Å; D86-N90 PolarHBondContact O-ND2 3.25Å; D86-N90 PolarHBondContact OD1-ND2 3.3Å; D86-Y106 WeakPolarHBondContact CB-OH 3.17Å; D86-Y106 PolarHBondContact OD2-OH 2.64Å |
| 87 | K | 92.3 | Very high | 90.4 | Very high | 104 Ų | 104 | 53.4 Ų | 53.4 | 45% | 0.452 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -53.9 | -41.3 | 170.6 | -70.1 | 171.5 | -161.6 | 163.3 | 0 | 111.6 | I54 N83 D84 N90 T91 | I54-K87 HydrophobicContact CG2-CB 3.61Å; N83-K87 WeakPolarHBondContact O-CG 3.15Å; N83-K87 PolarHBondContact O-N 3.41Å; D84-K87 PolarHBondContact O-N 2.88Å; D84-K87 WeakPolarHBondContact OD1-CE 3.43Å; D84-K87 IonicContact OD1-NZ 2.66Å; D84-K87 PolarHBondContact OD1-NZ 3.16Å; K87-N90 PolarHBondContact O-N 3.18Å; K87-T91 WeakPolarHBondContact O-CB 3.42Å; K87-T91 PolarHBondContact O-N 2.51Å; K87-T91 PolarHBondContact O-OG1 3.44Å |
| 88 | A | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.3 | -35.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L33 F51 I54 Y79 D84 A85 D86 L92 | L33-A88 HydrophobicContact CD1-CB 3.81Å; F51-A88 HydrophobicContact CD1-CB 4.47Å; I54-A88 HydrophobicContact CB-CB 4.3Å; I54-A88 HydrophobicContact CG1-CB 4.32Å; I54-A88 HydrophobicContact CG2-CB 3.96Å; Y79-A88 HydrophobicContact CE2-CB 3.7Å; Y79-A88 WeakPolarHBondContact OH-CB 3.09Å; D84-A88 VanDerWaalsContact O-CB 3.25Å; D84-A88 WeakPolarHBondContact O-CB 3.35Å; D84-A88 PolarHBondContact O-N 3.03Å; A85-A88 PolarHBondContact O-N 3.06Å; D86-A88 PolarHBondContact O-N 3.18Å; A88-L92 VanDerWaalsContact O-CB 3.24Å; A88-L92 WeakPolarHBondContact O-CB 3.29Å; A88-L92 PolarHBondContact O-N 3.05Å |
| 89 | I | 91.9 | Very high | 89.3 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.108 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -55.5 | 166.8 | -65.8 | 164.9 | 0 | 0 | 0 | 109.4 | L33 A85 D86 T91 N93 V104 Y106 | L33-I89 HydrophobicContact CD1-CG1 4.17Å; L33-I89 HydrophobicContact CD2-CD1 3.62Å; L33-I89 HydrophobicContact CD2-CG1 3.74Å; A85-I89 PolarHBondContact O-N 3.49Å; D86-I89 PolarHBondContact O-N 2.78Å; I89-T91 VanDerWaalsContact C-N 3.26Å; I89-T91 PolarHBondContact O-N 2.86Å; I89-N93 HydrophobicContact CG2-CB 4.39Å; I89-N93 WeakPolarHBondContact O-CB 3.32Å; I89-N93 PolarHBondContact O-N 2.67Å; I89-V104 HydrophobicContact CG1-CG1 3.91Å; I89-Y106 HydrophobicContact CD1-CD1 3.79Å; I89-Y106 HydrophobicContact CD1-CD2 3.52Å; I89-Y106 HydrophobicContact CD1-CE1 3.59Å; I89-Y106 HydrophobicContact CD1-CE2 3.3Å; I89-Y106 HydrophobicContact CD1-CG 3.76Å |
| 90 | N | 90.8 | Very high | 88.9 | Confident | 117 Ų | 117 | 67.1 Ų | 67.1 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.4 | -24.6 | -172.3 | -74.9 | -46.8 | 0 | 0 | 0 | 114 | D86 K87 | D86-N90 PolarHBondContact O-N 2.86Å; D86-N90 PolarHBondContact O-ND2 3.25Å; D86-N90 PolarHBondContact OD1-ND2 3.3Å; K87-N90 PolarHBondContact O-N 3.18Å |
| 91 | T | 89.3 | Confident | 88.9 | Confident | 90 Ų | 90 | 67.2 Ų | 67.2 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -97.7 | -37.5 | -179.9 | -47.2 | 0 | 0 | 0 | 0 | 113.6 | I54 K87 I89 | I54-T91 HydrophobicContact CD1-CG2 4.05Å; K87-T91 WeakPolarHBondContact O-CB 3.42Å; K87-T91 PolarHBondContact O-N 2.51Å; K87-T91 PolarHBondContact O-OG1 3.44Å; I89-T91 VanDerWaalsContact C-N 3.26Å; I89-T91 PolarHBondContact O-N 2.86Å |
| 92 | L | 89.8 | Confident | 88.9 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -105.3 | -14.5 | -171.9 | -56.2 | 174.4 | 0 | 0 | 0 | 114 | L50 F51 I54 A88 G94 L95 I102 V104 | L50-L92 HydrophobicContact CD1-CD2 4.23Å; F51-L92 HydrophobicContact CD1-CD1 3.55Å; F51-L92 HydrophobicContact CD2-CD1 4.31Å; F51-L92 HydrophobicContact CE1-CB 4.28Å; F51-L92 HydrophobicContact CE1-CD1 3.48Å; F51-L92 VanDerWaalsContact CE1-CD1 3.48Å; F51-L92 HydrophobicContact CE2-CD1 4.25Å; F51-L92 HydrophobicContact CG-CD1 3.96Å; F51-L92 HydrophobicContact CZ-CB 4.31Å; F51-L92 HydrophobicContact CZ-CD1 3.83Å; I54-L92 HydrophobicContact CD1-CD1 4.33Å; I54-L92 HydrophobicContact CD1-CD2 4.39Å; I54-L92 HydrophobicContact CD1-CG 4.26Å; I54-L92 HydrophobicContact CG1-CD1 3.75Å; I54-L92 HydrophobicContact CG1-CG 4.18Å; A88-L92 VanDerWaalsContact O-CB 3.24Å; A88-L92 WeakPolarHBondContact O-CB 3.29Å; A88-L92 PolarHBondContact O-N 3.05Å; L92-G94 PolarHBondContact O-N 2.98Å; L92-L95 HydrophobicContact CD2-CD2 4.09Å; L92-L95 VanDerWaalsContact O-CB 3.28Å; L92-L95 WeakPolarHBondContact O-CB 3.08Å; L92-L95 PolarHBondContact O-N 2.9Å; L92-I102 WeakPolarHBondContact O-CG1 3.38Å; L92-V104 HydrophobicContact CB-CG2 4Å |
| 93 | N | 90.8 | Very high | 89 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 124.6 | 172.6 | -175.6 | 41 | 0 | 0 | 0 | 110.5 | I89 K103 V104 | I89-N93 HydrophobicContact CG2-CB 4.39Å; I89-N93 WeakPolarHBondContact O-CB 3.32Å; I89-N93 PolarHBondContact O-N 2.67Å; N93-K103 WeakPolarHBondContact OD1-CA 3.26Å; N93-V104 HydrophobicContact CB-CB 4.03Å; N93-V104 PolarHBondContact OD1-N 3.37Å; N93-V104 VanDerWaalsContact OD1-N 3.07Å; N93-V104 PolarHBondContact OD1-O 2.85Å |
| 94 | G | 87.7 | Confident | 89 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 0.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L92 K96 T101 I102 | L92-G94 PolarHBondContact O-N 2.98Å; G94-K96 PolarHBondContact O-N 2.82Å; G94-T101 WeakPolarHBondContact O-CG2 3.4Å; G94-I102 WeakPolarHBondContact CA-O 3.24Å; G94-I102 PolarHBondContact N-O 3.49Å |
| 95 | L | 88.6 | Confident | 88.8 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 32% | 0.319 | 33% | 0.332 | S | S | . | . | trans | -63.9 | 127.9 | 174.7 | -172.9 | 73.2 | 0 | 0 | 0 | 110.7 | L50 L92 L97 I102 | L50-L95 HydrophobicContact CD1-CD2 4.12Å; L50-L95 HydrophobicContact CD2-CD2 4.21Å; L92-L95 HydrophobicContact CD2-CD2 4.09Å; L92-L95 VanDerWaalsContact O-CB 3.28Å; L92-L95 WeakPolarHBondContact O-CB 3.08Å; L92-L95 PolarHBondContact O-N 2.9Å; L95-L97 HydrophobicContact CD2-CD2 3.84Å; L95-L97 HydrophobicContact CD2-CG 4.37Å; L95-L97 HydrophobicContact CG-CD2 4.2Å; L95-L97 PolarHBondContact O-N 2.89Å; L95-I102 HydrophobicContact CB-CD1 3.99Å; L95-I102 HydrophobicContact CB-CG1 4.01Å; L95-I102 HydrophobicContact CD2-CD1 4.3Å; L95-I102 PolarHBondContact O-N 2.86Å | ||
| 96 | K | 87.4 | Confident | 88.7 | Confident | 153 Ų | 153 | 66.7 Ų | 66.7 | 67% | 0.665 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 103.8 | -179.5 | -169.8 | -179.4 | 178.6 | -176.4 | 0 | 110.9 | G94 K100 | G94-K96 PolarHBondContact O-N 2.82Å; K96-K100 CarbonylContact C-O 3.58Å; K96-K100 WeakPolarHBondContact CA-O 3.43Å |
| 97 | L | 85.1 | Confident | 88.3 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 111.1 | 173.7 | -61.5 | -173.3 | 0 | 0 | 0 | 110.1 | P39 M42 L50 L95 T99 K100 I102 | P39-L97 HydrophobicContact CG-CB 3.77Å; M42-L97 HydrophobicContact CE-CD1 3.9Å; M42-L97 HydrophobicContact SD-CD1 3.94Å; L50-L97 HydrophobicContact CD2-CD1 4.04Å; L95-L97 HydrophobicContact CD2-CD2 3.84Å; L95-L97 HydrophobicContact CD2-CG 4.37Å; L95-L97 HydrophobicContact CG-CD2 4.2Å; L95-L97 PolarHBondContact O-N 2.89Å; L97-T99 PolarHBondContact O-N 2.87Å; L97-T99 VanDerWaalsContact O-N 3.13Å; L97-K100 CarbonylContact C-O 3.57Å; L97-K100 PolarHBondContact N-O 2.89Å; L97-K100 PolarHBondContact O-N 3.15Å; L97-K100 VanDerWaalsContact O-O 3.05Å; L97-I102 HydrophobicContact CB-CG2 4.21Å; L97-I102 HydrophobicContact CD1-CD1 4.34Å; L97-I102 HydrophobicContact CD1-CG2 3.77Å; L97-I102 HydrophobicContact CG-CG2 3.91Å |
| 98 | Q | 80.3 | Confident | 87.4 | Confident | 115 Ų | 115 | 64.3 Ų | 64.3 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -113.1 | -179.8 | -53.5 | 172.5 | 12.8 | 0 | 0 | 111.5 | N41 | N41-Q98 PolarHBondContact ND2-NE2 3.46Å; N41-Q98 VanDerWaalsContact ND2-NE2 3.18Å; N41-Q98 PolarHBondContact ND2-OE1 2.76Å; N41-Q98 PolarHBondContact OD1-OE1 3.46Å |
| 99 | T | 81.6 | Confident | 86.2 | Confident | 129 Ų | 129 | 68.3 Ų | 68.3 | 79% | 0.791 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 2.4 | -179.5 | 53.8 | 0 | 0 | 0 | 0 | 114 | L97 | L97-T99 PolarHBondContact O-N 2.87Å; L97-T99 VanDerWaalsContact O-N 3.13Å |
| 100 | K | 84.9 | Confident | 84.6 | Confident | 68 Ų | 68 | 71 Ų | 71 | 30% | 0.296 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.2 | -176.7 | -59.6 | -173.9 | -173.8 | -179.4 | 0 | 112.2 | Y37 L38 K96 L97 | Y37-K100 VanDerWaalsContact O-CB 3.24Å; Y37-K100 WeakPolarHBondContact O-CB 3.49Å; Y37-K100 WeakPolarHBondContact O-CD 3.11Å; L38-K100 WeakPolarHBondContact O-CD 3.32Å; L38-K100 PolarHBondContact O-NZ 3.16Å; K96-K100 CarbonylContact C-O 3.58Å; K96-K100 WeakPolarHBondContact CA-O 3.43Å; L97-K100 CarbonylContact C-O 3.57Å; L97-K100 PolarHBondContact N-O 2.89Å; L97-K100 PolarHBondContact O-N 3.15Å; L97-K100 VanDerWaalsContact O-O 3.05Å |
| 101 | T | 88.4 | Confident | 83 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.3 | 167.4 | -58 | 0 | 0 | 0 | 0 | 107.9 | Y37 G94 | Y37-T101 WeakPolarHBondContact CB-O 3.26Å; G94-T101 WeakPolarHBondContact O-CG2 3.4Å |
| 102 | I | 91.4 | Very high | 81.4 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | trans | -75.7 | 145.2 | -178.2 | 78.3 | -177.5 | 0 | 0 | 0 | 110 | V35 N36 L38 F51 L92 G94 L95 L97 V104 | V35-I102 HydrophobicContact CG1-CB 4.36Å; V35-I102 HydrophobicContact CG1-CD1 4.29Å; N36-I102 WeakPolarHBondContact O-CA 3.03Å; L38-I102 HydrophobicContact CD2-CB 4.46Å; L38-I102 HydrophobicContact CD2-CG2 3.96Å; F51-I102 HydrophobicContact CZ-CD1 4.31Å; L92-I102 WeakPolarHBondContact O-CG1 3.38Å; G94-I102 WeakPolarHBondContact CA-O 3.24Å; G94-I102 PolarHBondContact N-O 3.49Å; L95-I102 HydrophobicContact CB-CD1 3.99Å; L95-I102 HydrophobicContact CB-CG1 4.01Å; L95-I102 HydrophobicContact CD2-CD1 4.3Å; L95-I102 PolarHBondContact O-N 2.86Å; L97-I102 HydrophobicContact CB-CG2 4.21Å; L97-I102 HydrophobicContact CD1-CD1 4.34Å; L97-I102 HydrophobicContact CD1-CG2 3.77Å; L97-I102 HydrophobicContact CG-CG2 3.91Å; I102-V104 HydrophobicContact CD1-CG2 4.31Å; I102-V104 HydrophobicContact CG1-CG2 4.36Å | ||
| 103 | K | 89.8 | Confident | 79.9 | Confident | 103 Ų | 103 | 70.2 Ų | 70.2 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 114.9 | 173.4 | -176.2 | 175.1 | -178.7 | 175.3 | 0 | 109.5 | V35 N36 Y37 N93 | V35-K103 WeakPolarHBondContact CA-O 3.18Å; N36-K103 HydrophobicContact CB-CB 4.48Å; N36-K103 PolarHBondContact N-O 2.8Å; N36-K103 PolarHBondContact O-N 3.38Å; Y37-K103 HydrophobicContact CD2-CB 3.82Å; Y37-K103 HydrophobicContact CE2-CB 3.99Å; N93-K103 WeakPolarHBondContact OD1-CA 3.26Å |
| 104 | V | 91.6 | Very high | 78.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.1 | 174.8 | -170.9 | 0 | 0 | 0 | 0 | 108.1 | L33 V35 F51 I89 L92 N93 I102 | L33-V104 HydrophobicContact CB-CG1 4.39Å; L33-V104 HydrophobicContact CD1-CG1 3.76Å; V35-V104 HydrophobicContact CG1-CG2 4.13Å; V35-V104 HydrophobicContact CG2-CG1 4.41Å; V35-V104 HydrophobicContact CG2-CG2 4.38Å; F51-V104 HydrophobicContact CE1-CG1 4.09Å; F51-V104 HydrophobicContact CE1-CG2 3.92Å; F51-V104 HydrophobicContact CZ-CG2 3.79Å; I89-V104 HydrophobicContact CG1-CG1 3.91Å; L92-V104 HydrophobicContact CB-CG2 4Å; N93-V104 HydrophobicContact CB-CB 4.03Å; N93-V104 PolarHBondContact OD1-N 3.37Å; N93-V104 VanDerWaalsContact OD1-N 3.07Å; N93-V104 PolarHBondContact OD1-O 2.85Å; I102-V104 HydrophobicContact CD1-CG2 4.31Å; I102-V104 HydrophobicContact CG1-CG2 4.36Å |
| 105 | S | 88.8 | Confident | 77.4 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 27% | 0.266 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 157.3 | 178.3 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | L33 I34 A107 | L33-S105 CarbonylContact C-O 3.59Å; L33-S105 WeakPolarHBondContact CA-O 3.31Å; I34-S105 PolarHBondContact N-O 3.06Å; I34-S105 PolarHBondContact O-N 2.58Å; I34-S105 VanDerWaalsContact O-N 3.1Å; S105-A107 PolarHBondContact O-N 3.47Å |
| 106 | Y | 89.4 | Confident | 76.4 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 37% | 0.365 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 128.1 | 171.5 | -64.3 | -71.6 | 0 | 0 | 0 | 111.4 | K30 L33 D86 I89 | K30-Y106 HydrophobicContact CB-CE1 4.31Å; K30-Y106 WeakPolarHBondContact O-CD1 3.47Å; K30-Y106 WeakPolarHBondContact O-CE1 3.42Å; L33-Y106 HydrophobicContact CD2-CD1 3.77Å; L33-Y106 HydrophobicContact CD2-CE1 4.16Å; L33-Y106 HydrophobicContact CD2-CG 4.43Å; D86-Y106 WeakPolarHBondContact CB-OH 3.17Å; D86-Y106 PolarHBondContact OD2-OH 2.64Å; I89-Y106 HydrophobicContact CD1-CD1 3.79Å; I89-Y106 HydrophobicContact CD1-CD2 3.52Å; I89-Y106 HydrophobicContact CD1-CE1 3.59Å; I89-Y106 HydrophobicContact CD1-CE2 3.3Å; I89-Y106 HydrophobicContact CD1-CG 3.76Å |
| 107 | A | 81.8 | Confident | 76.1 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 142.5 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | N32 I34 F76 S105 | N32-A107 HydrophobicContact CB-CB 4.06Å; N32-A107 PolarHBondContact O-N 3.14Å; N32-A107 VanDerWaalsContact OD1-CB 3.26Å; N32-A107 WeakPolarHBondContact OD1-CB 3.41Å; I34-A107 HydrophobicContact CB-CB 4.1Å; I34-A107 HydrophobicContact CG2-CB 4.49Å; F76-A107 HydrophobicContact CD1-CB 4Å; F76-A107 HydrophobicContact CE1-CB 4.24Å; S105-A107 PolarHBondContact O-N 3.47Å |
| 108 | R | 74 | Confident | 76.3 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 43% | 0.434 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -94 | 138.4 | 170.4 | -60 | -170.1 | -171.7 | -178.9 | 9.1 | 109.3 | S110 D166 | R108-S110 PolarHBondContact O-N 2.98Å; R108-D166 VanDerWaalsContact CD-OD1 3.32Å; R108-D166 WeakPolarHBondContact CD-OD1 3.35Å; R108-D166 IonicContact CZ-OD1 3.65Å; R108-D166 IonicContact NE-OD1 3.89Å; R108-D166 VanDerWaalsContact NH1-CG 3.26Å; R108-D166 IonicContact NH1-OD1 2.67Å; R108-D166 PolarHBondContact NH1-OD1 3.29Å; R108-D166 IonicContact NH1-OD2 3.93Å |
| 109 | P | 66.3 | Low | 76.7 | Confident | 83 Ų | 83 | 61 Ų | 61 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 133.9 | 177.1 | 23 | -33.6 | 0 | 0 | 0 | 109.8 | S111 I114 | P109-S111 PolarHBondContact O-N 3.46Å; P109-I114 WeakPolarHBondContact O-CD1 3.24Å |
| 110 | S | 58.3 | Low | 77.1 | Confident | 78 Ų | 78 | 58 Ų | 58 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | trans | -81.5 | 52.9 | -163.5 | -162.7 | 0 | 0 | 0 | 0 | 114.3 | R108 R115 | R108-S110 PolarHBondContact O-N 2.98Å; S110-R115 PolarHBondContact O-NH2 3.15Å; S110-R115 PolarHBondContact OG-NE 3.27Å; S110-R115 PolarHBondContact OG-NH2 3.46Å | ||
| 111 | S | 57.6 | Low | 77.3 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 40% | 0.399 | 30% | 0.295 | S | S | . | . | trans | -55.7 | 144.6 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | P109 S113 I114 | P109-S111 PolarHBondContact O-N 3.46Å; S111-S113 WeakPolarHBondContact CB-OG 3.41Å; S111-S113 PolarHBondContact O-N 3.04Å; S111-S113 VanDerWaalsContact O-N 3.16Å; S111-I114 WeakPolarHBondContact O-CB 3.5Å; S111-I114 PolarHBondContact O-N 3.33Å | ||
| 112 | A | 55.3 | Low | 77.3 | Confident | 83 Ų | 83 | 52 Ų | 52 | 69% | 0.686 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -56.8 | -33.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I114 R115 | A112-I114 PolarHBondContact O-N 3.47Å; A112-I114 VanDerWaalsContact O-N 3.08Å; A112-R115 PolarHBondContact O-N 2.87Å |
| 113 | S | 57.9 | Low | 77 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 42% | 0.42 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -59.4 | -12.8 | 175.1 | 48.3 | 0 | 0 | 0 | 0 | 115.8 | S111 R168 | S111-S113 WeakPolarHBondContact CB-OG 3.41Å; S111-S113 PolarHBondContact O-N 3.04Å; S111-S113 VanDerWaalsContact O-N 3.16Å; S113-R168 WeakPolarHBondContact O-CB 3.34Å; S113-R168 PolarHBondContact O-N 2.73Å |
| 114 | I | 64.5 | Low | 76.7 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -104 | -10 | -175.6 | -47.5 | 174.6 | 0 | 0 | 0 | 111.7 | P109 S111 A112 R164 D166 | P109-I114 WeakPolarHBondContact O-CD1 3.24Å; S111-I114 WeakPolarHBondContact O-CB 3.5Å; S111-I114 PolarHBondContact O-N 3.33Å; A112-I114 PolarHBondContact O-N 3.47Å; A112-I114 VanDerWaalsContact O-N 3.08Å; I114-R164 PolarHBondContact O-NH2 2.97Å; I114-D166 WeakPolarHBondContact CG2-O 3.2Å |
| 115 | R | 62 | Low | 76.3 | Confident | 149 Ų | 149 | 48.8 Ų | 48.8 | 56% | 0.562 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -82.8 | -23.4 | -170 | -64.2 | -170.6 | 175.8 | -157.5 | -3.3 | 114.3 | S110 A112 | S110-R115 PolarHBondContact O-NH2 3.15Å; S110-R115 PolarHBondContact OG-NE 3.27Å; S110-R115 PolarHBondContact OG-NH2 3.46Å; A112-R115 PolarHBondContact O-N 2.87Å |
| 116 | D | 68.1 | Low | 75.9 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -119.5 | 16.6 | 178.2 | -62 | -57.3 | 0 | 0 | 0 | 113.6 | N118 R168 F194 | D116-N118 PolarHBondContact O-N 3.34Å; D116-R168 VanDerWaalsContact CG-NH1 3.32Å; D116-R168 IonicContact OD2-NH1 3.75Å; D116-R168 PolarHBondContact OD2-NH1 3.14Å; D116-F194 WeakPolarHBondContact O-CD1 3.23Å |
| 117 | A | 81.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -74 | 16.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R164 F165 | A117-R164 WeakPolarHBondContact O-CA 3.45Å; A117-F165 HydrophobicContact CB-CB 4.29Å; A117-F165 VanDerWaalsContact CB-O 3.25Å; A117-F165 WeakPolarHBondContact CB-O 3.29Å; A117-F165 PolarHBondContact O-N 3.36Å | ||
| 118 | N | 87.9 | Confident | 75.5 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.3 | 177.6 | -60.3 | -19.1 | 0 | 0 | 0 | 109.7 | D116 I163 R164 F194 A195 | D116-N118 PolarHBondContact O-N 3.34Å; N118-I163 CarbonylContact C-O 3.58Å; N118-I163 WeakPolarHBondContact CA-O 3.5Å; N118-R164 WeakPolarHBondContact OD1-CD 3.23Å; N118-R164 WeakPolarHBondContact OD1-CG 3.45Å; N118-R164 PolarHBondContact OD1-NE 3.29Å; N118-F194 WeakPolarHBondContact O-CA 3.31Å; N118-A195 HydrophobicContact CB-CB 3.86Å; N118-A195 PolarHBondContact O-N 2.8Å |
| 119 | L | 89.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.1 | 173.4 | -59.5 | -172.7 | 0 | 0 | 0 | 111.3 | F137 F162 I163 F165 A171 A174 I175 V192 K193 F194 A195 | L119-F137 HydrophobicContact CD1-CE1 4.41Å; L119-F162 WeakPolarHBondContact O-CA 3.49Å; L119-I163 PolarHBondContact N-O 2.82Å; L119-I163 PolarHBondContact O-N 3.47Å; L119-F165 HydrophobicContact CD1-CD2 3.95Å; L119-F165 HydrophobicContact CD1-CE2 3.62Å; L119-F165 HydrophobicContact CG-CD2 4.31Å; L119-F165 HydrophobicContact CG-CE2 4.4Å; L119-A171 HydrophobicContact CD1-CB 4.24Å; L119-A171 WeakPolarHBondContact CD1-O 3.14Å; L119-A171 HydrophobicContact CD2-CB 3.89Å; L119-A171 HydrophobicContact CG-CB 4.03Å; L119-A174 HydrophobicContact CD1-CB 3.95Å; L119-I175 HydrophobicContact CD1-CG1 4.3Å; L119-I175 HydrophobicContact CD2-CD1 3.51Å; L119-I175 HydrophobicContact CD2-CG1 3.69Å; L119-V192 HydrophobicContact CB-CG1 4.32Å; L119-V192 HydrophobicContact CD1-CG1 3.68Å; L119-V192 HydrophobicContact CG-CG1 4.44Å; L119-K193 CarbonylContact C-O 3.57Å; L119-K193 WeakPolarHBondContact CA-O 3.36Å; L119-F194 HydrophobicContact CD2-CD1 3.88Å; L119-F194 HydrophobicContact CD2-CE1 4.17Å; L119-F194 HydrophobicContact CD2-CG 4.47Å; L119-A195 VanDerWaalsContact C-CB 3.43Å |
| 120 | Y | 90.3 | Very high | 77.1 | Confident | 67 Ų | 67 | 54.3 Ų | 54.3 | 26% | 0.263 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.6 | 167.6 | 170.9 | -82.4 | 0 | 0 | 0 | 107.4 | S122 V160 F162 K193 | Y120-S122 WeakPolarHBondContact CE1-OG 3.46Å; Y120-V160 HydrophobicContact CD2-CG1 4.25Å; Y120-V160 HydrophobicContact CE2-CG1 3.47Å; Y120-V160 VanDerWaalsContact CE2-CG1 3.47Å; Y120-F162 HydrophobicContact CD2-CD1 4.46Å; Y120-F162 AromaticContact CD2-CE1 3.78Å; Y120-F162 HydrophobicContact CD2-CE1 3.78Å; Y120-F162 HydrophobicContact CD2-CE2 4.36Å; Y120-F162 AromaticContact CD2-CZ 3.72Å; Y120-F162 HydrophobicContact CD2-CZ 3.72Å; Y120-F162 HydrophobicContact CE2-CZ 4.23Å; Y120-K193 HydrophobicContact CD1-CD 4.22Å; Y120-K193 HydrophobicContact CD1-CG 3.89Å; Y120-K193 PolarHBondContact N-O 3.27Å; Y120-K193 PolarHBondContact O-N 3.1Å |
| 121 | V | 89.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126 | -176.3 | -169.7 | 0 | 0 | 0 | 0 | 107.8 | L124 F137 V160 G161 I163 I190 T191 V192 | V121-L124 HydrophobicContact CB-CD1 4.14Å; V121-L124 HydrophobicContact CG1-CD1 3.85Å; V121-L124 HydrophobicContact CG1-CD2 3.8Å; V121-L124 HydrophobicContact CG1-CG 3.86Å; V121-F137 HydrophobicContact CB-CZ 4.41Å; V121-F137 HydrophobicContact CG1-CE2 4.19Å; V121-F137 HydrophobicContact CG1-CZ 3.77Å; V121-F137 HydrophobicContact CG2-CE1 4Å; V121-F137 HydrophobicContact CG2-CE2 4.39Å; V121-F137 HydrophobicContact CG2-CZ 3.65Å; V121-V160 CarbonylContact O-C 3.52Å; V121-V160 VanDerWaalsContact O-CA 3.29Å; V121-V160 WeakPolarHBondContact O-CA 3.38Å; V121-G161 PolarHBondContact N-O 3.16Å; V121-G161 PolarHBondContact O-N 3.02Å; V121-I163 HydrophobicContact CG2-CD1 3.83Å; V121-I163 HydrophobicContact CG2-CG1 4.14Å; V121-I190 HydrophobicContact CG1-CG2 3.52Å; V121-T191 WeakPolarHBondContact CA-O 3.42Å; V121-V192 HydrophobicContact CG1-CG2 4.46Å |
| 122 | S | 88.3 | Confident | 79.9 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159.6 | 176.2 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | Y120 G159 I190 T191 | Y120-S122 WeakPolarHBondContact CE1-OG 3.46Å; S122-G159 CarbonylContact C-O 3.54Å; S122-G159 WeakPolarHBondContact CA-O 3.49Å; S122-I190 CarbonylContact O-C 3.46Å; S122-I190 WeakPolarHBondContact O-CA 3.36Å; S122-T191 PolarHBondContact N-O 2.97Å; S122-T191 PolarHBondContact O-N 3.28Å |
| 123 | G | 83.9 | Confident | 81.3 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 83.8 | 18.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113 | G159 | G123-G159 PolarHBondContact N-O 3.4Š|
| 124 | L | 85.2 | Confident | 82.8 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | trans | -73.2 | 143 | 175.8 | -65.6 | 160.1 | 0 | 0 | 0 | 110.5 | V121 M128 M133 G159 I190 | V121-L124 HydrophobicContact CB-CD1 4.14Å; V121-L124 HydrophobicContact CG1-CD1 3.85Å; V121-L124 HydrophobicContact CG1-CD2 3.8Å; V121-L124 HydrophobicContact CG1-CG 3.86Å; L124-M128 HydrophobicContact CD2-SD 3.6Å; L124-M133 HydrophobicContact CD1-CE 3.56Å; L124-G159 PolarHBondContact N-O 3.17Å; L124-G159 VanDerWaalsContact O-CA 3.26Å; L124-G159 WeakPolarHBondContact O-CA 3.44Å; L124-I190 HydrophobicContact CD2-CD1 3.84Å; L124-I190 HydrophobicContact CD2-CG1 4.1Å | ||
| 125 | P | 81.6 | Confident | 83.9 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | trans | -55.8 | 143 | 171.3 | -16.1 | 23.8 | 0 | 0 | 0 | 111.7 | T127 M128 P183 A186 | P125-T127 PolarHBondContact O-N 3.3Å; P125-M128 HydrophobicContact CB-CB 4Å; P125-M128 HydrophobicContact CG-CB 3.97Å; P125-M128 HydrophobicContact CG-SD 4.32Å; P125-M128 WeakPolarHBondContact O-CB 3.44Å; P125-M128 PolarHBondContact O-N 2.84Å; P125-P183 HydrophobicContact CG-CG 4.2Å; P125-A186 HydrophobicContact CG-CB 3.92Å | ||
| 126 | K | 81 | Confident | 85 | Confident | 156 Ų | 156 | 54.8 Ų | 54.8 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.2 | 173.1 | -69.3 | -176.3 | 174.7 | -179.8 | 0 | 113 | I156 | K126-I156 HydrophobicContact CB-CG2 4.49Å; K126-I156 HydrophobicContact CD-CG2 3.93Å; K126-I156 HydrophobicContact CG-CG2 4.33Å |
| 127 | T | 81.2 | Confident | 85.9 | Confident | 124 Ų | 124 | 51.1 Ų | 51.1 | 76% | 0.761 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -13.5 | 176.6 | 46.8 | 0 | 0 | 0 | 0 | 114 | P125 S129 | P125-T127 PolarHBondContact O-N 3.3Å; T127-S129 PolarHBondContact O-N 3.31Å |
| 128 | M | 82.4 | Confident | 86.3 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | trans | -76.7 | 124.7 | -175.1 | -165.1 | 173.6 | -163.3 | 0 | 0 | 110.3 | L124 P125 D132 L136 I148 | L124-M128 HydrophobicContact CD2-SD 3.6Å; P125-M128 HydrophobicContact CB-CB 4Å; P125-M128 HydrophobicContact CG-CB 3.97Å; P125-M128 HydrophobicContact CG-SD 4.32Å; P125-M128 WeakPolarHBondContact O-CB 3.44Å; P125-M128 PolarHBondContact O-N 2.84Å; M128-D132 HydrophobicContact CE-CB 4.03Å; M128-D132 HydrophobicContact CG-CB 3.83Å; M128-L136 HydrophobicContact CE-CB 4.35Å; M128-L136 HydrophobicContact CE-CD2 3.91Å; M128-I148 WeakPolarHBondContact O-CD1 3.49Å | ||
| 129 | S | 86.4 | Confident | 86.3 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | trans | -84 | 167.5 | 178.2 | 80.1 | 0 | 0 | 0 | 0 | 112 | T127 K131 D132 M133 I148 | T127-S129 PolarHBondContact O-N 3.31Å; S129-K131 PolarHBondContact O-N 2.84Å; S129-K131 PolarHBondContact OG-N 2.89Å; S129-D132 WeakPolarHBondContact CA-OD2 3.42Å; S129-D132 WeakPolarHBondContact CB-OD2 3.42Å; S129-D132 PolarHBondContact N-OD2 3.21Å; S129-D132 PolarHBondContact O-N 2.9Å; S129-D132 PolarHBondContact OG-N 2.9Å; S129-D132 PolarHBondContact OG-OD2 3.42Å; S129-M133 PolarHBondContact O-N 2.89Å; S129-M133 VanDerWaalsContact O-N 3.14Å; S129-I148 VanDerWaalsContact C-CD1 3.43Å | ||
| 130 | Q | 86.4 | Confident | 86.2 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.5 | -32.5 | 173 | 179.2 | 176.4 | -27.5 | 0 | 0 | 111.8 | E134 S146 I148 | Q130-E134 WeakPolarHBondContact O-CB 3.19Å; Q130-E134 PolarHBondContact O-N 2.89Å; Q130-S146 WeakPolarHBondContact CG-OG 3.44Å; Q130-S146 PolarHBondContact NE2-O 2.86Å; Q130-S146 PolarHBondContact NE2-OG 2.74Å; Q130-I148 HydrophobicContact CB-CD1 4.48Å |
| 131 | K | 86.8 | Confident | 86 | Confident | 145 Ų | 145 | 59.1 Ų | 59.1 | 63% | 0.63 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.6 | -41.8 | 178.6 | -173.2 | -176.1 | 175.6 | -171.4 | 0 | 111.6 | S129 M133 E134 Q135 | S129-K131 PolarHBondContact O-N 2.84Å; S129-K131 PolarHBondContact OG-N 2.89Å; K131-M133 VanDerWaalsContact C-N 3.33Å; K131-M133 PolarHBondContact O-N 3.44Å; K131-E134 PolarHBondContact O-N 2.82Å; K131-Q135 VanDerWaalsContact CE-OE1 3.28Å; K131-Q135 WeakPolarHBondContact O-CG 3.18Å; K131-Q135 PolarHBondContact O-N 3.38Å |
| 132 | D | 87.3 | Confident | 85.9 | Confident | 70 Ų | 70 | 66.7 Ų | 66.7 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 179.2 | -46.9 | -50.2 | 0 | 0 | 0 | 110.9 | M128 S129 L136 | M128-D132 HydrophobicContact CE-CB 4.03Å; M128-D132 HydrophobicContact CG-CB 3.83Å; S129-D132 WeakPolarHBondContact CA-OD2 3.42Å; S129-D132 WeakPolarHBondContact CB-OD2 3.42Å; S129-D132 PolarHBondContact N-OD2 3.21Å; S129-D132 PolarHBondContact O-N 2.9Å; S129-D132 PolarHBondContact OG-N 2.9Å; S129-D132 PolarHBondContact OG-OD2 3.42Å; D132-L136 WeakPolarHBondContact O-CB 3.38Å; D132-L136 PolarHBondContact O-N 3.14Å |
| 133 | M | 86.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 170.1 | 173.1 | -158.6 | -73.1 | 0 | 0 | 111 | L124 S129 K131 Q135 L136 F137 I148 I163 | L124-M133 HydrophobicContact CD1-CE 3.56Å; S129-M133 PolarHBondContact O-N 2.89Å; S129-M133 VanDerWaalsContact O-N 3.14Å; K131-M133 VanDerWaalsContact C-N 3.33Å; K131-M133 PolarHBondContact O-N 3.44Å; M133-Q135 VanDerWaalsContact C-N 3.34Å; M133-Q135 PolarHBondContact O-N 2.79Å; M133-L136 PolarHBondContact O-N 3.19Å; M133-F137 HydrophobicContact CG-CD2 4.25Å; M133-F137 WeakPolarHBondContact O-CD2 3.25Å; M133-F137 PolarHBondContact O-N 3.21Å; M133-I148 HydrophobicContact CE-CD1 4.09Å; M133-I148 HydrophobicContact CE-CG1 3.37Å; M133-I163 HydrophobicContact CG-CD1 3.53Å; M133-I163 HydrophobicContact CG-CG1 4.05Å; M133-I163 HydrophobicContact SD-CD1 3.75Å; M133-I163 HydrophobicContact SD-CG1 3.55Å; M133-I163 VanDerWaalsContact SD-CG1 3.55Å |
| 134 | E | 88.5 | Confident | 85.9 | Confident | 84 Ų | 84 | 69 Ų | 69 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | -179.1 | -165.8 | 164.9 | 120.4 | 0 | 0 | 111.3 | Q130 K131 F137 S138 I143 S146 | Q130-E134 WeakPolarHBondContact O-CB 3.19Å; Q130-E134 PolarHBondContact O-N 2.89Å; K131-E134 PolarHBondContact O-N 2.82Å; E134-F137 PolarHBondContact O-N 3.33Å; E134-S138 WeakPolarHBondContact O-CB 3.4Å; E134-S138 PolarHBondContact O-N 3.43Å; E134-I143 HydrophobicContact CB-CD1 4.41Å; E134-I143 HydrophobicContact CG-CB 4.47Å; E134-I143 HydrophobicContact CG-CD1 3.82Å; E134-I143 HydrophobicContact CG-CG2 4.34Å; E134-I143 WeakPolarHBondContact O-CD1 3.49Å; E134-S146 VanDerWaalsContact OE2-CB 3.29Å; E134-S146 WeakPolarHBondContact OE2-CB 3.24Å; E134-S146 PolarHBondContact OE2-OG 3.04Å |
| 135 | Q | 87.3 | Confident | 85.8 | Confident | 122 Ų | 122 | 72.1 Ų | 72.1 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 175.3 | -72.2 | -175.7 | -117.4 | 0 | 0 | 112.8 | K131 M133 F137 | K131-Q135 VanDerWaalsContact CE-OE1 3.28Å; K131-Q135 WeakPolarHBondContact O-CG 3.18Å; K131-Q135 PolarHBondContact O-N 3.38Å; M133-Q135 VanDerWaalsContact C-N 3.34Å; M133-Q135 PolarHBondContact O-N 2.79Å; Q135-F137 PolarHBondContact O-N 3.29Å |
| 136 | L | 85.9 | Confident | 86.1 | Confident | 43 Ų | 43 | 72 Ų | 72 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 178.8 | 178.6 | 63.1 | 0 | 0 | 0 | 112.8 | M128 D132 M133 Q139 L178 I190 | M128-L136 HydrophobicContact CE-CB 4.35Å; M128-L136 HydrophobicContact CE-CD2 3.91Å; D132-L136 WeakPolarHBondContact O-CB 3.38Å; D132-L136 PolarHBondContact O-N 3.14Å; M133-L136 PolarHBondContact O-N 3.19Å; L136-Q139 WeakPolarHBondContact O-CG 3.37Å; L136-L178 HydrophobicContact CD1-CD2 4.08Å; L136-L178 HydrophobicContact CG-CD1 4.4Å; L136-L178 HydrophobicContact CG-CD2 4.19Å; L136-I190 HydrophobicContact CD2-CD1 4.1Å |
| 137 | F | 87.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -88.6 | -24.5 | -177.1 | -81.2 | -104 | 0 | 0 | 0 | 113.4 | L119 V121 M133 E134 Q135 Q139 Y140 I143 I163 F165 A174 L178 V192 | L119-F137 HydrophobicContact CD1-CE1 4.41Å; V121-F137 HydrophobicContact CB-CZ 4.41Å; V121-F137 HydrophobicContact CG1-CE2 4.19Å; V121-F137 HydrophobicContact CG1-CZ 3.77Å; V121-F137 HydrophobicContact CG2-CE1 4Å; V121-F137 HydrophobicContact CG2-CE2 4.39Å; V121-F137 HydrophobicContact CG2-CZ 3.65Å; M133-F137 HydrophobicContact CG-CD2 4.25Å; M133-F137 WeakPolarHBondContact O-CD2 3.25Å; M133-F137 PolarHBondContact O-N 3.21Å; E134-F137 PolarHBondContact O-N 3.33Å; Q135-F137 PolarHBondContact O-N 3.29Å; F137-Q139 PolarHBondContact O-N 3.03Å; F137-Q139 VanDerWaalsContact O-N 3.15Å; F137-Y140 PolarHBondContact O-N 3.48Å; F137-Y140 VanDerWaalsContact O-N 3.1Å; F137-I143 HydrophobicContact CB-CD1 3.72Å; F137-I163 HydrophobicContact CB-CD1 3.8Å; F137-I163 HydrophobicContact CD1-CD1 3.41Å; F137-I163 VanDerWaalsContact CD1-CD1 3.41Å; F137-I163 HydrophobicContact CD2-CD1 3.41Å; F137-I163 VanDerWaalsContact CD2-CD1 3.41Å; F137-I163 HydrophobicContact CE1-CD1 3.7Å; F137-I163 HydrophobicContact CE2-CD1 3.7Å; F137-I163 HydrophobicContact CG-CD1 3.24Å; F137-I163 HydrophobicContact CZ-CD1 3.84Å; F137-F165 HydrophobicContact CB-CZ 3.99Å; F137-F165 HydrophobicContact CD1-CE2 4.12Å; F137-F165 HydrophobicContact CD1-CZ 4.12Å; F137-F165 WeakPolarHBondContact O-CE1 3.19Å; F137-F165 WeakPolarHBondContact O-CZ 3.17Å; F137-A174 HydrophobicContact CD1-CB 4.27Å; F137-L178 HydrophobicContact CD1-CD1 3.44Å; F137-L178 VanDerWaalsContact CD1-CD1 3.44Å; F137-L178 HydrophobicContact CD2-CD1 3.75Å; F137-L178 HydrophobicContact CE1-CD1 3.39Å; F137-L178 HydrophobicContact CE2-CD1 3.71Å; F137-L178 HydrophobicContact CG-CD1 3.64Å; F137-L178 HydrophobicContact CZ-CB 4.48Å; F137-L178 HydrophobicContact CZ-CD1 3.53Å; F137-V192 HydrophobicContact CE1-CG1 3.87Å; F137-V192 HydrophobicContact CE1-CG2 3.96Å; F137-V192 HydrophobicContact CZ-CG1 4.39Å; F137-V192 HydrophobicContact CZ-CG2 3.73Å |
| 138 | S | 88.8 | Confident | 86.8 | Confident | 66 Ų | 66 | 67.9 Ų | 67.9 | 46% | 0.462 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -18.8 | 179.9 | -172.6 | 0 | 0 | 0 | 0 | 113.5 | E134 Y140 G141 | E134-S138 WeakPolarHBondContact O-CB 3.4Å; E134-S138 PolarHBondContact O-N 3.43Å; S138-Y140 PolarHBondContact O-N 3.33Å; S138-G141 PolarHBondContact O-N 3.26Å |
| 139 | Q | 88.1 | Confident | 86.9 | Confident | 132 Ų | 132 | 69.5 Ų | 69.5 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.5 | 174.1 | 78.3 | -174.5 | 10.9 | 0 | 0 | 114 | L136 F137 | L136-Q139 WeakPolarHBondContact O-CG 3.37Å; F137-Q139 PolarHBondContact O-N 3.03Å; F137-Q139 VanDerWaalsContact O-N 3.15Å |
| 140 | Y | 87.7 | Confident | 86.9 | Confident | 57 Ų | 57 | 71 Ų | 71 | 22% | 0.224 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -7.2 | 178.6 | -61.2 | -84.7 | 0 | 0 | 0 | 113.8 | F137 S138 E170 E173 A174 L178 | F137-Y140 PolarHBondContact O-N 3.48Å; F137-Y140 VanDerWaalsContact O-N 3.1Å; S138-Y140 PolarHBondContact O-N 3.33Å; Y140-E170 WeakPolarHBondContact O-CB 3.5Å; Y140-E173 HydrophobicContact CD1-CB 4.49Å; Y140-A174 HydrophobicContact CD2-CB 4.16Å; Y140-A174 HydrophobicContact CG-CB 3.91Å; Y140-L178 HydrophobicContact CD2-CD1 3.92Å; Y140-L178 HydrophobicContact CD2-CG 4.23Å; Y140-L178 HydrophobicContact CE2-CD1 3.53Å; Y140-L178 HydrophobicContact CE2-CD2 3.67Å; Y140-L178 HydrophobicContact CE2-CG 3.42Å; Y140-L178 VanDerWaalsContact CE2-CG 3.42Å |
| 141 | G | 86.1 | Confident | 86.8 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 151 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S138 I143 F165 E170 | S138-G141 PolarHBondContact O-N 3.26Å; G141-I143 PolarHBondContact O-N 3.32Å; G141-F165 WeakPolarHBondContact O-CE1 3.39Å; G141-E170 VanDerWaalsContact CA-OE1 3.24Å; G141-E170 WeakPolarHBondContact CA-OE1 3.43Å |
| 142 | R | 86.8 | Confident | 86.3 | Confident | 159 Ų | 159 | 70.7 Ų | 70.7 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | trans | -79.2 | 112.2 | -171.6 | -175.1 | 173.7 | -68.5 | -146.5 | -0.5 | 112 | F165 D166 E170 | R142-F165 CarbonylContact O-C 3.55Å; R142-F165 WeakPolarHBondContact O-CA 3.27Å; R142-D166 HydrophobicContact CB-CB 4.26Å; R142-D166 PolarHBondContact O-N 2.83Å; R142-E170 PolarHBondContact N-OE1 3.16Å | ||
| 143 | I | 89.1 | Confident | 86 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 139 | 171.8 | -62.2 | 170.2 | 0 | 0 | 0 | 110.6 | E134 F137 G141 I163 R164 F165 | E134-I143 HydrophobicContact CB-CD1 4.41Å; E134-I143 HydrophobicContact CG-CB 4.47Å; E134-I143 HydrophobicContact CG-CD1 3.82Å; E134-I143 HydrophobicContact CG-CG2 4.34Å; E134-I143 WeakPolarHBondContact O-CD1 3.49Å; F137-I143 HydrophobicContact CB-CD1 3.72Å; G141-I143 PolarHBondContact O-N 3.32Å; I143-I163 HydrophobicContact CD1-CG2 4.05Å; I143-I163 HydrophobicContact CG1-CG2 3.93Å; I143-I163 HydrophobicContact CG2-CG2 4.06Å; I143-R164 CarbonylContact C-O 3.59Å; I143-R164 WeakPolarHBondContact CA-O 3.4Å; I143-F165 HydrophobicContact CG1-CD1 4.39Å; I143-F165 HydrophobicContact CG1-CE1 4.07Å; I143-F165 HydrophobicContact CG1-CZ 4.25Å |
| 144 | I | 83.8 | Confident | 85.7 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -43.7 | 177.3 | -50.9 | -60 | 0 | 0 | 0 | 110.7 | R164 F165 D166 | I144-R164 HydrophobicContact CB-CB 4.29Å; I144-R164 HydrophobicContact CB-CG 4.08Å; I144-R164 HydrophobicContact CG1-CG 4.27Å; I144-R164 PolarHBondContact N-O 3.26Å; I144-F165 WeakPolarHBondContact CG1-O 3.31Å; I144-D166 HydrophobicContact CD1-CB 3.93Å; I144-D166 HydrophobicContact CG1-CB 4.47Å |
| 145 | T | 83.2 | Confident | 85.2 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 123.5 | 175 | 56 | 0 | 0 | 0 | 0 | 110.1 | I163 R164 | T145-I163 CarbonylContact O-C 3.48Å; T145-I163 WeakPolarHBondContact O-CA 3.47Å; T145-R164 PolarHBondContact O-N 3.13Å; T145-R164 WeakPolarHBondContact OG1-CB 3.26Å |
| 146 | S | 87.4 | Confident | 84.8 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 8% | 0.077 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 152.3 | 160.1 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | Q130 E134 F162 | Q130-S146 WeakPolarHBondContact CG-OG 3.44Å; Q130-S146 PolarHBondContact NE2-O 2.86Å; Q130-S146 PolarHBondContact NE2-OG 2.74Å; E134-S146 VanDerWaalsContact OE2-CB 3.29Å; E134-S146 WeakPolarHBondContact OE2-CB 3.24Å; E134-S146 PolarHBondContact OE2-OG 3.04Å; S146-F162 CarbonylContact C-O 3.51Å |
| 147 | R | 87.1 | Confident | 84.6 | Confident | 170 Ų | 170 | 73 Ų | 73 | 64% | 0.642 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 130.6 | 168.8 | -177 | 173 | -177.8 | 176.7 | 3.1 | 111.4 | G161 F162 | R147-G161 CarbonylContact O-C 3.54Å; R147-G161 WeakPolarHBondContact O-CA 3.48Å; R147-F162 PolarHBondContact N-O 2.86Å; R147-F162 PolarHBondContact O-N 3.36Å |
| 148 | I | 88.8 | Confident | 84.4 | Confident | 23 Ų | 23 | 80.5 Ų | 80.5 | 12% | 0.118 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 144.1 | 165.9 | -71 | 178 | 0 | 0 | 0 | 110.4 | M128 S129 Q130 M133 V150 S157 | M128-I148 WeakPolarHBondContact O-CD1 3.49Å; S129-I148 VanDerWaalsContact C-CD1 3.43Å; Q130-I148 HydrophobicContact CB-CD1 4.48Å; M133-I148 HydrophobicContact CE-CD1 4.09Å; M133-I148 HydrophobicContact CE-CG1 3.37Å; I148-V150 HydrophobicContact CG2-CG1 4.34Å; I148-S157 WeakPolarHBondContact CG2-OG 3.34Å |
| 149 | L | 85.9 | Confident | 84.2 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 101.8 | 164.1 | -93.8 | 59.8 | 0 | 0 | 0 | 108.9 | R158 V160 F162 | L149-R158 WeakPolarHBondContact O-CB 3.47Å; L149-R158 PolarHBondContact O-N 2.87Å; L149-V160 HydrophobicContact CD2-CG1 4.32Å; L149-V160 PolarHBondContact N-O 3.08Å; L149-F162 HydrophobicContact CD1-CD2 3.57Å; L149-F162 HydrophobicContact CD1-CE2 3.57Å; L149-F162 HydrophobicContact CD2-CE2 3.97Å; L149-F162 HydrophobicContact CG-CE2 4.44Å |
| 150 | V | 85.6 | Confident | 84.2 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 151.4 | 160.8 | -64.4 | 0 | 0 | 0 | 0 | 110 | I148 I156 | I148-V150 HydrophobicContact CG2-CG1 4.34Å; V150-I156 WeakPolarHBondContact CA-O 3.18Å |
| 151 | D | 84 | Confident | 84.3 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.193 | 36% | 0.363 | C | S | . | . | trans | -76.3 | 132.1 | 170 | -166.8 | -87.5 | 0 | 0 | 0 | 110.3 | V153 T154 G155 I156 R158 | D151-V153 VanDerWaalsContact C-N 3.3Å; D151-V153 PolarHBondContact O-N 2.81Å; D151-V153 PolarHBondContact OD1-N 2.88Å; D151-T154 WeakPolarHBondContact CB-OG1 3.48Å; D151-T154 PolarHBondContact OD1-N 2.82Å; D151-G155 VanDerWaalsContact O-CA 3.24Å; D151-G155 WeakPolarHBondContact O-CA 3.33Å; D151-G155 PolarHBondContact O-N 2.96Å; D151-I156 PolarHBondContact N-O 2.89Å; D151-R158 HydrophobicContact CB-CG 3.84Å; D151-R158 IonicContact OD2-CZ 2.68Å; D151-R158 IonicContact OD2-NH1 2.72Å; D151-R158 PolarHBondContact OD2-NH1 3.01Å | ||
| 152 | Q | 76.9 | Confident | 84.5 | Confident | 195 Ų | 195 | 72.7 Ų | 72.7 | 91% | 0.911 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -20 | -174.1 | -69.9 | -176.9 | -9.7 | 0 | 0 | 113.7 | ||
| 153 | V | 81 | Confident | 84.7 | Confident | 136 Ų | 136 | 65.2 Ų | 65.2 | 82% | 0.824 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -37.4 | -178.3 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | D151 | D151-V153 VanDerWaalsContact C-N 3.3Å; D151-V153 PolarHBondContact O-N 2.81Å; D151-V153 PolarHBondContact OD1-N 2.88Å |
| 154 | T | 80.1 | Confident | 84.6 | Confident | 86 Ų | 86 | 68.2 Ų | 68.2 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -12.6 | -174.8 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | D151 I156 | D151-T154 WeakPolarHBondContact CB-OG1 3.48Å; D151-T154 PolarHBondContact OD1-N 2.82Å; T154-I156 PolarHBondContact O-N 2.73Å; T154-I156 VanDerWaalsContact O-N 3.13Å |
| 155 | G | 77.3 | Confident | 84.8 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 55% | 0.546 | 34% | 0.338 | S | S | . | . | trans | 71.7 | -7.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D151 | D151-G155 VanDerWaalsContact O-CA 3.24Å; D151-G155 WeakPolarHBondContact O-CA 3.33Å; D151-G155 PolarHBondContact O-N 2.96Å | ||
| 156 | I | 79.4 | Confident | 84.8 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 43% | 0.426 | 32% | 0.323 | S | S | . | . | trans | -75 | 138.6 | -174 | -59.4 | 173 | 0 | 0 | 0 | 110.3 | K126 V150 D151 T154 R158 | K126-I156 HydrophobicContact CB-CG2 4.49Å; K126-I156 HydrophobicContact CD-CG2 3.93Å; K126-I156 HydrophobicContact CG-CG2 4.33Å; V150-I156 WeakPolarHBondContact CA-O 3.18Å; D151-I156 PolarHBondContact N-O 2.89Å; T154-I156 PolarHBondContact O-N 2.73Å; T154-I156 VanDerWaalsContact O-N 3.13Å; I156-R158 PolarHBondContact O-N 3Å | ||
| 157 | S | 83.1 | Confident | 84.6 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 8% | 0.077 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 127.3 | 170.5 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | I148 G159 | I148-S157 WeakPolarHBondContact CG2-OG 3.34Å; S157-G159 PolarHBondContact O-N 2.84Å; S157-G159 VanDerWaalsContact O-N 3.16Å; S157-G159 PolarHBondContact OG-N 3.39Å |
| 158 | R | 83.1 | Confident | 84.5 | Confident | 156 Ų | 156 | 64 Ų | 64 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 10.2 | 177.6 | -63.9 | 179.6 | 62 | 118.7 | -6 | 113.1 | L149 D151 I156 V160 | L149-R158 WeakPolarHBondContact O-CB 3.47Å; L149-R158 PolarHBondContact O-N 2.87Å; D151-R158 HydrophobicContact CB-CG 3.84Å; D151-R158 IonicContact OD2-CZ 2.68Å; D151-R158 IonicContact OD2-NH1 2.72Å; D151-R158 PolarHBondContact OD2-NH1 3.01Å; I156-R158 PolarHBondContact O-N 3Å; R158-V160 PolarHBondContact O-N 3.24Å |
| 159 | G | 83.5 | Confident | 84.5 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 9% | 0.093 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.5 | 18.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S122 G123 L124 S157 | S122-G159 CarbonylContact C-O 3.54Å; S122-G159 WeakPolarHBondContact CA-O 3.49Å; G123-G159 PolarHBondContact N-O 3.4Å; L124-G159 PolarHBondContact N-O 3.17Å; L124-G159 VanDerWaalsContact O-CA 3.26Å; L124-G159 WeakPolarHBondContact O-CA 3.44Å; S157-G159 PolarHBondContact O-N 2.84Å; S157-G159 VanDerWaalsContact O-N 3.16Å; S157-G159 PolarHBondContact OG-N 3.39Å |
| 160 | V | 88 | Confident | 84.6 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 14% | 0.139 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.6 | -175.1 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | Y120 V121 L149 R158 | Y120-V160 HydrophobicContact CD2-CG1 4.25Å; Y120-V160 HydrophobicContact CE2-CG1 3.47Å; Y120-V160 VanDerWaalsContact CE2-CG1 3.47Å; V121-V160 CarbonylContact O-C 3.52Å; V121-V160 VanDerWaalsContact O-CA 3.29Å; V121-V160 WeakPolarHBondContact O-CA 3.38Å; L149-V160 HydrophobicContact CD2-CG1 4.32Å; L149-V160 PolarHBondContact N-O 3.08Å; R158-V160 PolarHBondContact O-N 3.24Å |
| 161 | G | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 166 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V121 R147 | V121-G161 PolarHBondContact N-O 3.16Å; V121-G161 PolarHBondContact O-N 3.02Å; R147-G161 CarbonylContact O-C 3.54Å; R147-G161 WeakPolarHBondContact O-CA 3.48Å |
| 162 | F | 91.1 | Very high | 85 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 33% | 0.333 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.7 | 172.1 | -67.8 | -94.6 | 0 | 0 | 0 | 108.9 | L119 Y120 S146 R147 L149 A195 | L119-F162 WeakPolarHBondContact O-CA 3.49Å; Y120-F162 HydrophobicContact CD2-CD1 4.46Å; Y120-F162 AromaticContact CD2-CE1 3.78Å; Y120-F162 HydrophobicContact CD2-CE1 3.78Å; Y120-F162 HydrophobicContact CD2-CE2 4.36Å; Y120-F162 AromaticContact CD2-CZ 3.72Å; Y120-F162 HydrophobicContact CD2-CZ 3.72Å; Y120-F162 HydrophobicContact CE2-CZ 4.23Å; S146-F162 CarbonylContact C-O 3.51Å; R147-F162 PolarHBondContact N-O 2.86Å; R147-F162 PolarHBondContact O-N 3.36Å; L149-F162 HydrophobicContact CD1-CD2 3.57Å; L149-F162 HydrophobicContact CD1-CE2 3.57Å; L149-F162 HydrophobicContact CD2-CE2 3.97Å; L149-F162 HydrophobicContact CG-CE2 4.44Å; F162-A195 HydrophobicContact CD1-CB 3.77Å; F162-A195 HydrophobicContact CE1-CB 3.99Å |
| 163 | I | 90.4 | Very high | 85.6 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139 | 177.3 | -57.3 | 176.1 | 0 | 0 | 0 | 107.2 | N118 L119 V121 M133 F137 I143 T145 F165 | N118-I163 CarbonylContact C-O 3.58Å; N118-I163 WeakPolarHBondContact CA-O 3.5Å; L119-I163 PolarHBondContact N-O 2.82Å; L119-I163 PolarHBondContact O-N 3.47Å; V121-I163 HydrophobicContact CG2-CD1 3.83Å; V121-I163 HydrophobicContact CG2-CG1 4.14Å; M133-I163 HydrophobicContact CG-CD1 3.53Å; M133-I163 HydrophobicContact CG-CG1 4.05Å; M133-I163 HydrophobicContact SD-CD1 3.75Å; M133-I163 HydrophobicContact SD-CG1 3.55Å; M133-I163 VanDerWaalsContact SD-CG1 3.55Å; F137-I163 HydrophobicContact CB-CD1 3.8Å; F137-I163 HydrophobicContact CD1-CD1 3.41Å; F137-I163 VanDerWaalsContact CD1-CD1 3.41Å; F137-I163 HydrophobicContact CD2-CD1 3.41Å; F137-I163 VanDerWaalsContact CD2-CD1 3.41Å; F137-I163 HydrophobicContact CE1-CD1 3.7Å; F137-I163 HydrophobicContact CE2-CD1 3.7Å; F137-I163 HydrophobicContact CG-CD1 3.24Å; F137-I163 HydrophobicContact CZ-CD1 3.84Å; I143-I163 HydrophobicContact CD1-CG2 4.05Å; I143-I163 HydrophobicContact CG1-CG2 3.93Å; I143-I163 HydrophobicContact CG2-CG2 4.06Å; T145-I163 CarbonylContact O-C 3.48Å; T145-I163 WeakPolarHBondContact O-CA 3.47Å; I163-F165 HydrophobicContact CG2-CD2 4.09Å; I163-F165 HydrophobicContact CG2-CE2 3.78Å; I163-F165 HydrophobicContact CG2-CZ 4.44Å |
| 164 | R | 87.4 | Confident | 86 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.1 | 170.2 | -178.8 | 172 | -169.5 | 177.3 | 5.9 | 109 | I114 A117 N118 I143 I144 T145 | I114-R164 PolarHBondContact O-NH2 2.97Å; A117-R164 WeakPolarHBondContact O-CA 3.45Å; N118-R164 WeakPolarHBondContact OD1-CD 3.23Å; N118-R164 WeakPolarHBondContact OD1-CG 3.45Å; N118-R164 PolarHBondContact OD1-NE 3.29Å; I143-R164 CarbonylContact C-O 3.59Å; I143-R164 WeakPolarHBondContact CA-O 3.4Å; I144-R164 HydrophobicContact CB-CB 4.29Å; I144-R164 HydrophobicContact CB-CG 4.08Å; I144-R164 HydrophobicContact CG1-CG 4.27Å; I144-R164 PolarHBondContact N-O 3.26Å; T145-R164 PolarHBondContact O-N 3.13Å; T145-R164 WeakPolarHBondContact OG1-CB 3.26Å |
| 165 | F | 88.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 167.4 | 169.2 | -76.6 | -91.7 | 0 | 0 | 0 | 111.2 | A117 L119 F137 G141 R142 I143 I144 I163 E170 A171 A174 | A117-F165 HydrophobicContact CB-CB 4.29Å; A117-F165 VanDerWaalsContact CB-O 3.25Å; A117-F165 WeakPolarHBondContact CB-O 3.29Å; A117-F165 PolarHBondContact O-N 3.36Å; L119-F165 HydrophobicContact CD1-CD2 3.95Å; L119-F165 HydrophobicContact CD1-CE2 3.62Å; L119-F165 HydrophobicContact CG-CD2 4.31Å; L119-F165 HydrophobicContact CG-CE2 4.4Å; F137-F165 HydrophobicContact CB-CZ 3.99Å; F137-F165 HydrophobicContact CD1-CE2 4.12Å; F137-F165 HydrophobicContact CD1-CZ 4.12Å; F137-F165 WeakPolarHBondContact O-CE1 3.19Å; F137-F165 WeakPolarHBondContact O-CZ 3.17Å; G141-F165 WeakPolarHBondContact O-CE1 3.39Å; R142-F165 CarbonylContact O-C 3.55Å; R142-F165 WeakPolarHBondContact O-CA 3.27Å; I143-F165 HydrophobicContact CG1-CD1 4.39Å; I143-F165 HydrophobicContact CG1-CE1 4.07Å; I143-F165 HydrophobicContact CG1-CZ 4.25Å; I144-F165 WeakPolarHBondContact CG1-O 3.31Å; I163-F165 HydrophobicContact CG2-CD2 4.09Å; I163-F165 HydrophobicContact CG2-CE2 3.78Å; I163-F165 HydrophobicContact CG2-CZ 4.44Å; F165-E170 HydrophobicContact CB-CB 4.19Å; F165-E170 HydrophobicContact CD1-CB 3.67Å; F165-E170 HydrophobicContact CE1-CB 4.35Å; F165-E170 HydrophobicContact CG-CB 4.12Å; F165-A171 HydrophobicContact CB-CB 4.16Å; F165-A171 HydrophobicContact CD2-CB 3.97Å; F165-A171 HydrophobicContact CG-CB 4.27Å; F165-A174 HydrophobicContact CE2-CB 3.85Å; F165-A174 HydrophobicContact CZ-CB 3.72Å |
| 166 | D | 82 | Confident | 86.9 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -68.7 | -43.7 | 171.3 | -172.6 | 56.3 | 0 | 0 | 0 | 110.4 | R108 I114 R142 I144 E170 | R108-D166 VanDerWaalsContact CD-OD1 3.32Å; R108-D166 WeakPolarHBondContact CD-OD1 3.35Å; R108-D166 IonicContact CZ-OD1 3.65Å; R108-D166 IonicContact NE-OD1 3.89Å; R108-D166 VanDerWaalsContact NH1-CG 3.26Å; R108-D166 IonicContact NH1-OD1 2.67Å; R108-D166 PolarHBondContact NH1-OD1 3.29Å; R108-D166 IonicContact NH1-OD2 3.93Å; I114-D166 WeakPolarHBondContact CG2-O 3.2Å; R142-D166 HydrophobicContact CB-CB 4.26Å; R142-D166 PolarHBondContact O-N 2.83Å; I144-D166 HydrophobicContact CD1-CB 3.93Å; I144-D166 HydrophobicContact CG1-CB 4.47Å; D166-E170 WeakPolarHBondContact CB-OE2 3.34Å; D166-E170 PolarHBondContact N-OE2 2.86Å |
| 167 | K | 84.3 | Confident | 87.1 | Confident | 105 Ų | 105 | 56.3 Ų | 56.3 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -123.4 | 144.3 | -173.8 | -59.6 | 164.2 | -170.1 | 168.5 | 0 | 111.4 | N169 E170 A171 | K167-N169 PolarHBondContact O-N 3.29Å; K167-E170 HydrophobicContact CB-CG 4.1Å; K167-E170 PolarHBondContact N-OE2 3.23Å; K167-E170 PolarHBondContact O-N 2.92Å; K167-A171 PolarHBondContact O-N 2.98Å |
| 168 | R | 84.6 | Confident | 87.2 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.7 | -31 | 172.8 | -171.1 | 178.4 | -179.4 | 134 | 8.8 | 112.8 | S113 D116 A171 E172 F194 | S113-R168 WeakPolarHBondContact O-CB 3.34Å; S113-R168 PolarHBondContact O-N 2.73Å; D116-R168 VanDerWaalsContact CG-NH1 3.32Å; D116-R168 IonicContact OD2-NH1 3.75Å; D116-R168 PolarHBondContact OD2-NH1 3.14Å; R168-A171 WeakPolarHBondContact O-CB 3.32Å; R168-A171 PolarHBondContact O-N 3.01Å; R168-E172 WeakPolarHBondContact O-CB 2.99Å; R168-E172 PolarHBondContact O-N 3.31Å; R168-F194 HydrophobicContact CG-CE1 3.97Å; R168-F194 HydrophobicContact CG-CZ 4.16Å |
| 169 | N | 87.6 | Confident | 87.4 | Confident | 104 Ų | 104 | 52.1 Ų | 52.1 | 56% | 0.556 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.6 | -50.8 | 177.7 | -154.5 | 88.7 | 0 | 0 | 0 | 111.7 | K167 A171 E172 E173 | K167-N169 PolarHBondContact O-N 3.29Å; N169-A171 PolarHBondContact O-N 2.99Å; N169-E172 PolarHBondContact O-N 2.84Å; N169-E173 PolarHBondContact ND2-OE2 2.89Å; N169-E173 WeakPolarHBondContact O-CG 3.49Å; N169-E173 PolarHBondContact O-N 3.23Å |
| 170 | E | 89.4 | Confident | 87.2 | Confident | 28 Ų | 28 | 54 Ų | 54 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.2 | -42.2 | 174.3 | -60.3 | 170 | 133.5 | 0 | 0 | 111 | Y140 G141 R142 F165 D166 K167 E172 E173 A174 | Y140-E170 WeakPolarHBondContact O-CB 3.5Å; G141-E170 VanDerWaalsContact CA-OE1 3.24Å; G141-E170 WeakPolarHBondContact CA-OE1 3.43Å; R142-E170 PolarHBondContact N-OE1 3.16Å; F165-E170 HydrophobicContact CB-CB 4.19Å; F165-E170 HydrophobicContact CD1-CB 3.67Å; F165-E170 HydrophobicContact CE1-CB 4.35Å; F165-E170 HydrophobicContact CG-CB 4.12Å; D166-E170 WeakPolarHBondContact CB-OE2 3.34Å; D166-E170 PolarHBondContact N-OE2 2.86Å; K167-E170 HydrophobicContact CB-CG 4.1Å; K167-E170 PolarHBondContact N-OE2 3.23Å; K167-E170 PolarHBondContact O-N 2.92Å; E170-E172 PolarHBondContact O-N 3.32Å; E170-E173 PolarHBondContact O-N 2.88Å; E170-A174 VanDerWaalsContact O-CB 3.27Å; E170-A174 WeakPolarHBondContact O-CB 3.5Å; E170-A174 PolarHBondContact O-N 3.49Å |
| 171 | A | 88.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -35.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | L119 F165 K167 R168 N169 I175 F194 | L119-A171 HydrophobicContact CD1-CB 4.24Å; L119-A171 WeakPolarHBondContact CD1-O 3.14Å; L119-A171 HydrophobicContact CD2-CB 3.89Å; L119-A171 HydrophobicContact CG-CB 4.03Å; F165-A171 HydrophobicContact CB-CB 4.16Å; F165-A171 HydrophobicContact CD2-CB 3.97Å; F165-A171 HydrophobicContact CG-CB 4.27Å; K167-A171 PolarHBondContact O-N 2.98Å; R168-A171 WeakPolarHBondContact O-CB 3.32Å; R168-A171 PolarHBondContact O-N 3.01Å; N169-A171 PolarHBondContact O-N 2.99Å; A171-I175 VanDerWaalsContact O-CG1 3.31Å; A171-I175 WeakPolarHBondContact O-CG1 3.37Å; A171-I175 PolarHBondContact O-N 2.9Å; A171-F194 HydrophobicContact CB-CE1 4.2Å |
| 172 | E | 88.9 | Confident | 85.8 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 49% | 0.486 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -75.5 | -38.3 | 177.8 | -165.7 | 163.8 | 115.3 | 0 | 0 | 112.1 | R168 N169 E170 I175 K176 F194 | R168-E172 WeakPolarHBondContact O-CB 2.99Å; R168-E172 PolarHBondContact O-N 3.31Å; N169-E172 PolarHBondContact O-N 2.84Å; E170-E172 PolarHBondContact O-N 3.32Å; E172-I175 WeakPolarHBondContact O-CB 3.38Å; E172-I175 PolarHBondContact O-N 3.04Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 3Å; E172-F194 HydrophobicContact CB-CZ 4.19Å; E172-F194 HydrophobicContact CG-CZ 4.45Å |
| 173 | E | 89.4 | Confident | 84.6 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 171.6 | -67.8 | -176.3 | 95.5 | 0 | 0 | 111.5 | Y140 N169 E170 K176 G177 | Y140-E173 HydrophobicContact CD1-CB 4.49Å; N169-E173 PolarHBondContact ND2-OE2 2.89Å; N169-E173 WeakPolarHBondContact O-CG 3.49Å; N169-E173 PolarHBondContact O-N 3.23Å; E170-E173 PolarHBondContact O-N 2.88Å; E173-K176 PolarHBondContact O-N 2.98Å; E173-G177 PolarHBondContact O-N 3.07Å |
| 174 | A | 89.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L119 F137 Y140 F165 E170 L178 | L119-A174 HydrophobicContact CD1-CB 3.95Å; F137-A174 HydrophobicContact CD1-CB 4.27Å; Y140-A174 HydrophobicContact CD2-CB 4.16Å; Y140-A174 HydrophobicContact CG-CB 3.91Å; F165-A174 HydrophobicContact CE2-CB 3.85Å; F165-A174 HydrophobicContact CZ-CB 3.72Å; E170-A174 VanDerWaalsContact O-CB 3.27Å; E170-A174 WeakPolarHBondContact O-CB 3.5Å; E170-A174 PolarHBondContact O-N 3.49Å; A174-L178 VanDerWaalsContact O-CB 3.32Å; A174-L178 WeakPolarHBondContact O-CB 3.31Å; A174-L178 PolarHBondContact O-N 3.26Å |
| 175 | I | 89.3 | Confident | 81.5 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.8 | -52.5 | 169.9 | -72.2 | 161.4 | 0 | 0 | 0 | 109.7 | L119 A171 E172 G177 N179 V192 F194 | L119-I175 HydrophobicContact CD1-CG1 4.3Å; L119-I175 HydrophobicContact CD2-CD1 3.51Å; L119-I175 HydrophobicContact CD2-CG1 3.69Å; A171-I175 VanDerWaalsContact O-CG1 3.31Å; A171-I175 WeakPolarHBondContact O-CG1 3.37Å; A171-I175 PolarHBondContact O-N 2.9Å; E172-I175 WeakPolarHBondContact O-CB 3.38Å; E172-I175 PolarHBondContact O-N 3.04Å; I175-G177 VanDerWaalsContact C-N 3.3Å; I175-G177 PolarHBondContact O-N 2.91Å; I175-N179 HydrophobicContact CG2-CB 4.35Å; I175-N179 WeakPolarHBondContact O-CB 3.26Å; I175-N179 PolarHBondContact O-N 2.76Å; I175-V192 HydrophobicContact CB-CG1 4.47Å; I175-V192 HydrophobicContact CG1-CB 4.4Å; I175-V192 HydrophobicContact CG1-CG1 3.79Å; I175-F194 HydrophobicContact CD1-CD1 4.1Å; I175-F194 HydrophobicContact CD1-CD2 3.61Å; I175-F194 HydrophobicContact CD1-CE1 3.98Å; I175-F194 HydrophobicContact CD1-CE2 3.47Å; I175-F194 VanDerWaalsContact CD1-CE2 3.47Å; I175-F194 HydrophobicContact CD1-CG 3.93Å; I175-F194 HydrophobicContact CD1-CZ 3.67Å |
| 176 | K | 87.4 | Confident | 80.3 | Confident | 188 Ų | 188 | 70.3 Ų | 70.3 | 82% | 0.817 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.8 | -32.3 | -174.2 | -170.7 | 179.2 | 178.5 | -175.2 | 0 | 113.2 | E172 E173 | E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 3Å; E173-K176 PolarHBondContact O-N 2.98Å |
| 177 | G | 84.1 | Confident | 79.3 | Confident | 36 Ų | 36 | 73.8 Ų | 73.8 | 37% | 0.371 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -86.9 | -37.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | E173 I175 | E173-G177 PolarHBondContact O-N 3.07Å; I175-G177 VanDerWaalsContact C-N 3.3Å; I175-G177 PolarHBondContact O-N 2.91Å |
| 178 | L | 85 | Confident | 78.5 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -104.8 | -19.3 | -171.6 | -62.5 | 175.1 | 0 | 0 | 0 | 114.3 | L136 F137 Y140 A174 G180 Q181 V192 | L136-L178 HydrophobicContact CD1-CD2 4.08Å; L136-L178 HydrophobicContact CG-CD1 4.4Å; L136-L178 HydrophobicContact CG-CD2 4.19Å; F137-L178 HydrophobicContact CD1-CD1 3.44Å; F137-L178 VanDerWaalsContact CD1-CD1 3.44Å; F137-L178 HydrophobicContact CD2-CD1 3.75Å; F137-L178 HydrophobicContact CE1-CD1 3.39Å; F137-L178 HydrophobicContact CE2-CD1 3.71Å; F137-L178 HydrophobicContact CG-CD1 3.64Å; F137-L178 HydrophobicContact CZ-CB 4.48Å; F137-L178 HydrophobicContact CZ-CD1 3.53Å; Y140-L178 HydrophobicContact CD2-CD1 3.92Å; Y140-L178 HydrophobicContact CD2-CG 4.23Å; Y140-L178 HydrophobicContact CE2-CD1 3.53Å; Y140-L178 HydrophobicContact CE2-CD2 3.67Å; Y140-L178 HydrophobicContact CE2-CG 3.42Å; Y140-L178 VanDerWaalsContact CE2-CG 3.42Å; A174-L178 VanDerWaalsContact O-CB 3.32Å; A174-L178 WeakPolarHBondContact O-CB 3.31Å; A174-L178 PolarHBondContact O-N 3.26Å; L178-G180 PolarHBondContact O-N 2.88Å; L178-Q181 WeakPolarHBondContact O-CB 3.29Å; L178-Q181 PolarHBondContact O-N 2.72Å; L178-V192 HydrophobicContact CB-CG2 3.79Å |
| 179 | N | 85.8 | Confident | 78.4 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 43% | 0.428 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 116.9 | -179.3 | -176.4 | 57.4 | 0 | 0 | 0 | 111.5 | I175 T191 V192 | I175-N179 HydrophobicContact CG2-CB 4.35Å; I175-N179 WeakPolarHBondContact O-CB 3.26Å; I175-N179 PolarHBondContact O-N 2.76Å; N179-T191 WeakPolarHBondContact OD1-CA 3.5Å; N179-V192 HydrophobicContact CB-CB 4.1Å; N179-V192 PolarHBondContact OD1-N 3.27Å; N179-V192 PolarHBondContact OD1-O 2.81Å |
| 180 | G | 79.3 | Confident | 78.3 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 50% | 0.495 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | -8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | L178 P189 I190 | L178-G180 PolarHBondContact O-N 2.88Å; G180-P189 WeakPolarHBondContact O-CB 3.44Å; G180-I190 WeakPolarHBondContact CA-O 3.46Å; G180-I190 PolarHBondContact N-O 3.07Å |
| 181 | Q | 77.8 | Confident | 78.2 | Confident | 91 Ų | 91 | 69.1 Ų | 69.1 | 43% | 0.425 | 40% | 0.397 | S | S | . | . | trans | -74.4 | 133.6 | 179.9 | -162.5 | -179.1 | 28 | 0 | 0 | 111 | L178 P183 I190 | L178-Q181 WeakPolarHBondContact O-CB 3.29Å; L178-Q181 PolarHBondContact O-N 2.72Å; Q181-P183 VanDerWaalsContact O-CD 3.31Å; Q181-P183 WeakPolarHBondContact O-CD 3.49Å; Q181-I190 PolarHBondContact O-N 3.08Å | ||
| 182 | K | 72.4 | Confident | 78.3 | Confident | 145 Ų | 145 | 69.2 Ų | 69.2 | 63% | 0.63 | 40% | 0.397 | S | S | * | . | trans | -87.9 | 109.3 | 169.5 | -68.1 | -175.5 | 178.6 | -171.7 | 0 | 109.2 | P189 | K182-P189 HydrophobicContact CG-CB 3.99Š| ||
| 183 | P | 64.4 | Low | 78.3 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 15% | 0.149 | 39% | 0.394 | C | S | . | . | trans | -70 | 155.2 | 171.7 | 34.6 | -40.1 | 0 | 0 | 0 | 109.8 | P125 Q181 G185 A186 I190 | P125-P183 HydrophobicContact CG-CG 4.2Å; Q181-P183 VanDerWaalsContact O-CD 3.31Å; Q181-P183 WeakPolarHBondContact O-CD 3.49Å; P183-G185 PolarHBondContact O-N 3.45Å; P183-A186 HydrophobicContact CG-CB 3.56Å; P183-A186 PolarHBondContact O-N 3.02Å; P183-A186 VanDerWaalsContact O-N 3.14Å; P183-I190 HydrophobicContact CB-CD1 4.06Å; P183-I190 HydrophobicContact CG-CD1 3.61Å; P183-I190 HydrophobicContact CG-CG1 3.88Å | ||
| 184 | L | 56.1 | Low | 78.3 | Confident | 185 Ų | 185 | 67.3 Ų | 67.3 | 97% | 0.969 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 111.9 | 174 | -70.7 | 158.5 | 0 | 0 | 0 | 109.6 | ||
| 185 | G | 58.2 | Low | 77.9 | Confident | 68 Ų | 68 | 68.1 Ų | 68.1 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.3 | 0.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | P183 | P183-G185 PolarHBondContact O-N 3.45Š|
| 186 | A | 62.1 | Low | 77 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 17% | 0.165 | 41% | 0.406 | C | S | . | . | trans | -92.1 | 140.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P125 P183 E188 | P125-A186 HydrophobicContact CG-CB 3.92Å; P183-A186 HydrophobicContact CG-CB 3.56Å; P183-A186 PolarHBondContact O-N 3.02Å; P183-A186 VanDerWaalsContact O-N 3.14Å; A186-E188 WeakPolarHBondContact CB-O 3.44Å | ||
| 187 | A | 61.3 | Low | 75.6 | Confident | 99 Ų | 99 | 64.7 Ų | 64.7 | 82% | 0.818 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -75.9 | -29.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 188 | E | 67.5 | Low | 74 | Confident | 134 Ų | 134 | 68.1 Ų | 68.1 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -111.2 | 154 | -179.1 | -63.1 | -164 | 112.6 | 0 | 0 | 111.3 | A186 | A186-E188 WeakPolarHBondContact CB-O 3.44Š|
| 189 | P | 81.6 | Confident | 72.3 | Confident | 51 Ų | 51 | 72 Ų | 72 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 142 | 170.4 | 29.7 | -34 | 0 | 0 | 0 | 111.1 | G180 K182 T191 | G180-P189 WeakPolarHBondContact O-CB 3.44Å; K182-P189 HydrophobicContact CG-CB 3.99Å; P189-T191 PolarHBondContact O-N 3.08Å |
| 190 | I | 86.7 | Confident | 70.6 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 128.8 | 168.6 | -70.5 | 170 | 0 | 0 | 0 | 108.4 | V121 S122 L124 L136 G180 Q181 P183 V192 | V121-I190 HydrophobicContact CG1-CG2 3.52Å; S122-I190 CarbonylContact O-C 3.46Å; S122-I190 WeakPolarHBondContact O-CA 3.36Å; L124-I190 HydrophobicContact CD2-CD1 3.84Å; L124-I190 HydrophobicContact CD2-CG1 4.1Å; L136-I190 HydrophobicContact CD2-CD1 4.1Å; G180-I190 WeakPolarHBondContact CA-O 3.46Å; G180-I190 PolarHBondContact N-O 3.07Å; Q181-I190 PolarHBondContact O-N 3.08Å; P183-I190 HydrophobicContact CB-CD1 4.06Å; P183-I190 HydrophobicContact CG-CD1 3.61Å; P183-I190 HydrophobicContact CG-CG1 3.88Å; I190-V192 HydrophobicContact CG2-CG2 3.56Å |
| 191 | T | 87.1 | Confident | 69 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 29% | 0.288 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 124.9 | 164.7 | -54.2 | 0 | 0 | 0 | 0 | 108.9 | V121 S122 N179 P189 K193 | V121-T191 WeakPolarHBondContact CA-O 3.42Å; S122-T191 PolarHBondContact N-O 2.97Å; S122-T191 PolarHBondContact O-N 3.28Å; N179-T191 WeakPolarHBondContact OD1-CA 3.5Å; P189-T191 PolarHBondContact O-N 3.08Å; T191-K193 HydrophobicContact CG2-CD 3.98Å |
| 192 | V | 90.1 | Very high | 67.5 | Low | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.012 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.4 | 175.3 | -168.9 | 0 | 0 | 0 | 0 | 109 | L119 V121 F137 I175 L178 N179 I190 | L119-V192 HydrophobicContact CB-CG1 4.32Å; L119-V192 HydrophobicContact CD1-CG1 3.68Å; L119-V192 HydrophobicContact CG-CG1 4.44Å; V121-V192 HydrophobicContact CG1-CG2 4.46Å; F137-V192 HydrophobicContact CE1-CG1 3.87Å; F137-V192 HydrophobicContact CE1-CG2 3.96Å; F137-V192 HydrophobicContact CZ-CG1 4.39Å; F137-V192 HydrophobicContact CZ-CG2 3.73Å; I175-V192 HydrophobicContact CB-CG1 4.47Å; I175-V192 HydrophobicContact CG1-CB 4.4Å; I175-V192 HydrophobicContact CG1-CG1 3.79Å; L178-V192 HydrophobicContact CB-CG2 3.79Å; N179-V192 HydrophobicContact CB-CB 4.1Å; N179-V192 PolarHBondContact OD1-N 3.27Å; N179-V192 PolarHBondContact OD1-O 2.81Å; I190-V192 HydrophobicContact CG2-CG2 3.56Å |
| 193 | K | 88.8 | Confident | 66.3 | Low | 96 Ų | 96 | 73.5 Ų | 73.5 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 156.3 | -176.8 | 50.7 | -164.4 | 167 | -165.8 | 0 | 110.2 | L119 Y120 T191 A195 | L119-K193 CarbonylContact C-O 3.57Å; L119-K193 WeakPolarHBondContact CA-O 3.36Å; Y120-K193 HydrophobicContact CD1-CD 4.22Å; Y120-K193 HydrophobicContact CD1-CG 3.89Å; Y120-K193 PolarHBondContact N-O 3.27Å; Y120-K193 PolarHBondContact O-N 3.1Å; T191-K193 HydrophobicContact CG2-CD 3.98Å; K193-A195 PolarHBondContact O-N 2.75Å |
| 194 | F | 88.9 | Confident | 65.3 | Low | 71 Ų | 71 | 80 Ų | 80 | 31% | 0.311 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 128.3 | 176.9 | -71.9 | -71.7 | 0 | 0 | 0 | 111 | D116 N118 L119 R168 A171 E172 I175 N196 | D116-F194 WeakPolarHBondContact O-CD1 3.23Å; N118-F194 WeakPolarHBondContact O-CA 3.31Å; L119-F194 HydrophobicContact CD2-CD1 3.88Å; L119-F194 HydrophobicContact CD2-CE1 4.17Å; L119-F194 HydrophobicContact CD2-CG 4.47Å; R168-F194 HydrophobicContact CG-CE1 3.97Å; R168-F194 HydrophobicContact CG-CZ 4.16Å; A171-F194 HydrophobicContact CB-CE1 4.2Å; E172-F194 HydrophobicContact CB-CZ 4.19Å; E172-F194 HydrophobicContact CG-CZ 4.45Å; I175-F194 HydrophobicContact CD1-CD1 4.1Å; I175-F194 HydrophobicContact CD1-CD2 3.61Å; I175-F194 HydrophobicContact CD1-CE1 3.98Å; I175-F194 HydrophobicContact CD1-CE2 3.47Å; I175-F194 VanDerWaalsContact CD1-CE2 3.47Å; I175-F194 HydrophobicContact CD1-CG 3.93Å; I175-F194 HydrophobicContact CD1-CZ 3.67Å; F194-N196 PolarHBondContact O-N 3.34Å |
| 195 | A | 81.4 | Confident | 64.6 | Low | 16 Ų | 16 | 75 Ų | 75 | 13% | 0.132 | 46% | 0.456 | C | S | . | . | trans | -74.7 | 118.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N118 L119 F162 K193 N197 | N118-A195 HydrophobicContact CB-CB 3.86Å; N118-A195 PolarHBondContact O-N 2.8Å; L119-A195 VanDerWaalsContact C-CB 3.43Å; F162-A195 HydrophobicContact CD1-CB 3.77Å; F162-A195 HydrophobicContact CE1-CB 3.99Å; K193-A195 PolarHBondContact O-N 2.75Å; A195-N197 PolarHBondContact O-N 3.24Å; A195-N197 VanDerWaalsContact O-N 3.08Å | ||
| 196 | N | 70.3 | Confident | 64.2 | Low | 81 Ų | 81 | 78.9 Ų | 78.9 | 43% | 0.433 | 46% | 0.46 | S | S | . | . | trans | -68.8 | 105.3 | 171.5 | -176.2 | 100.5 | 0 | 0 | 0 | 110.9 | F194 P198 K201 | F194-N196 PolarHBondContact O-N 3.34Å; N196-P198 WeakPolarHBondContact O-CD 3.37Å; N196-K201 WeakPolarHBondContact OD1-CD 3.5Å; N196-K201 WeakPolarHBondContact OD1-CE 3.33Å; N196-K201 PolarHBondContact OD1-NZ 2.87Å | ||
| 197 | N | 58.9 | Low | 63.3 | Low | 65 Ų | 65 | 84.4 Ų | 84.4 | 35% | 0.348 | 49% | 0.486 | S | S | . | . | trans | -65.9 | 121.3 | 171.8 | -175.1 | -5.9 | 0 | 0 | 0 | 110.5 | A195 S199 Q200 | A195-N197 PolarHBondContact O-N 3.24Å; A195-N197 VanDerWaalsContact O-N 3.08Å; N197-S199 PolarHBondContact O-N 2.87Å; N197-S199 WeakPolarHBondContact OD1-CB 3.5Å; N197-S199 PolarHBondContact OD1-N 2.68Å; N197-S199 PolarHBondContact OD1-OG 3.06Å; N197-Q200 HydrophobicContact CB-CB 4.45Å; N197-Q200 HydrophobicContact CB-CG 4.05Å; N197-Q200 PolarHBondContact O-N 2.89Å | ||
| 198 | P | 50.5 | Low | 62.3 | Low | 108 Ų | 108 | 85.4 Ų | 85.4 | 70% | 0.701 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -58.9 | -33.2 | 176.8 | 23.7 | -33.9 | 0 | 0 | 0 | 112.6 | N196 Q200 K201 | N196-P198 WeakPolarHBondContact O-CD 3.37Å; P198-Q200 PolarHBondContact O-N 3.32Å; P198-Q200 VanDerWaalsContact O-N 3.08Å; P198-K201 PolarHBondContact O-N 2.79Å |
| 199 | S | 48.3 | Very low | 60.9 | Low | 81 Ų | 81 | 87.5 Ų | 87.5 | 57% | 0.566 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -65.1 | -10 | 176.8 | -52.6 | 0 | 0 | 0 | 0 | 114.5 | N197 | N197-S199 PolarHBondContact O-N 2.87Å; N197-S199 WeakPolarHBondContact OD1-CB 3.5Å; N197-S199 PolarHBondContact OD1-N 2.68Å; N197-S199 PolarHBondContact OD1-OG 3.06Å |
| 200 | Q | 52.1 | Low | 58.8 | Low | 138 Ų | 138 | 91.5 Ų | 91.5 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -102 | -10.8 | 174.5 | -64.7 | -76.6 | 37.7 | 0 | 0 | 112.8 | N197 P198 T202 | N197-Q200 HydrophobicContact CB-CB 4.45Å; N197-Q200 HydrophobicContact CB-CG 4.05Å; N197-Q200 PolarHBondContact O-N 2.89Å; P198-Q200 PolarHBondContact O-N 3.32Å; P198-Q200 VanDerWaalsContact O-N 3.08Å; Q200-T202 PolarHBondContact O-N 2.78Å |
| 201 | K | 44.9 | Very low | 56.3 | Low | 85 Ų | 85 | 101.7 Ų | 101.7 | 37% | 0.37 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 54.1 | -163.3 | -128.7 | -161.9 | -163.9 | 148.4 | 0 | 116.2 | N196 P198 Q204 A205 | N196-K201 WeakPolarHBondContact OD1-CD 3.5Å; N196-K201 WeakPolarHBondContact OD1-CE 3.33Å; N196-K201 PolarHBondContact OD1-NZ 2.87Å; P198-K201 PolarHBondContact O-N 2.79Å; K201-Q204 WeakPolarHBondContact CE-O 3.02Å; K201-A205 HydrophobicContact CD-CB 4.26Å |
| 202 | T | 46.4 | Very low | 53.9 | Low | 114 Ų | 114 | 107.8 Ų | 107.8 | 70% | 0.699 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -14.3 | 156.8 | -35.3 | 0 | 0 | 0 | 0 | 112.2 | Q200 | Q200-T202 PolarHBondContact O-N 2.78Š|
| 203 | G | 47.1 | Very low | 51.4 | Low | 59 Ų | 59 | 114 Ų | 114 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -117.9 | -17.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 204 | Q | 42.3 | Very low | 49 | Very low | 159 Ų | 159 | 114.5 Ų | 114.5 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | trans | -134.4 | 30.4 | -166.9 | -67.8 | -167.2 | -0.9 | 0 | 0 | 116 | K201 | K201-Q204 WeakPolarHBondContact CE-O 3.02Š| ||
| 205 | A | 42.8 | Very low | 46.5 | Very low | 79 Ų | 79 | 115.7 Ų | 115.7 | 65% | 0.653 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -79.8 | -21.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K201 | K201-A205 HydrophobicContact CD-CB 4.26Š|
| 206 | L | 48.7 | Very low | 44.2 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -97.6 | -13.3 | -161 | -105.2 | 153.4 | 0 | 0 | 0 | 116.4 | ||
| 207 | L | 44.7 | Very low | 42.4 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -89.2 | -21.2 | -166.3 | -160 | 67.7 | 0 | 0 | 0 | 114.8 | Q209 | L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.89Å |
| 208 | T | 39.5 | Very low | 41 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -75.9 | -14.4 | -172 | -44.7 | 0 | 0 | 0 | 0 | 114 | ||
| 209 | Q | 37.8 | Very low | 40 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -92.2 | 3.8 | -171.1 | -158.7 | 168.3 | -17.7 | 0 | 0 | 114.7 | L207 | L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.89Å |
| 210 | L | 36.7 | Very low | 39.2 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -107.5 | -5.7 | -177 | -70.6 | 172.2 | 0 | 0 | 0 | 115.2 | Q212 | L210-Q212 PolarHBondContact O-N 3.22Š|
| 211 | Y | 35 | Very low | 38.7 | Very low | 215 Ų | 215 | 139 Ų | 139 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -99.1 | 27.1 | -169.5 | -104.8 | -79 | 0 | 0 | 0 | 115.6 | ||
| 212 | Q | 37.6 | Very low | 38 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -119 | 2.7 | -173.1 | -71.2 | -179.3 | -32 | 0 | 0 | 115.6 | L210 | L210-Q212 PolarHBondContact O-N 3.22Š|
| 213 | T | 36.5 | Very low | 37.3 | Very low | 133 Ų | 133 | 144 Ų | 144 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -135.3 | 52.4 | -174.1 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 214 | A | 37.8 | Very low | 36.6 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | -150.2 | 44.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 215 | A | 38.1 | Very low | 35.9 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -151.3 | 138.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 216 | R | 33.1 | Very low | 35.1 | Very low | 240 Ų | 240 | 150.7 Ų | 150.7 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | 108.6 | 74.8 | 172.3 | -62.8 | -71.4 | 178.5 | -177.4 | -2.3 | 117.9 | ||||
| 217 | R | 31.4 | Very low | 34.5 | Very low | 206 Ų | 206 | 151.2 Ų | 151.2 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -151.1 | 153.4 | 141.9 | -66.3 | -164.3 | 175.1 | -160.4 | -3.3 | 108 | ||||
| 218 | Y | 30.4 | Very low | 33.6 | Very low | 192 Ų | 192 | 154 Ų | 154 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -99.2 | -144.1 | -10.9 | -77.8 | -99.8 | 0 | 0 | 0 | 108.4 | ||||
| 219 | T | 29.8 | Very low | 33.2 | Very low | 142 Ų | 142 | 156.9 Ų | 156.9 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | cis | -148.3 | 170.9 | 4.6 | 51 | 0 | 0 | 0 | 0 | 110 | ||||
| 220 | G | 29.8 | Very low | 32.8 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | 137.9 | 135.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 221 | P | 42 | Very low | 32.5 | Very low | 128 Ų | 128 | 153 Ų | 153 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -115.4 | 167.1 | -169.1 | 41.7 | -34.7 | 0 | 0 | 0 | 117.1 | ||||
| 222 | L | 30.5 | Very low | 32.4 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 83.7 | 129.5 | 148.1 | -154.6 | 71.7 | 0 | 0 | 0 | 120.3 | ||||
| 223 | H | 31 | Very low | 33 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 65% | 0.648 | 78% | 0.78 | S | S | * | * | 135.7 | 109.4 | 127.9 | -160.9 | 81.2 | 0 | 0 | 0 | 116.9 | |||||
| 224 | H | 33.8 | Very low | 32.7 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | trans | 65.3 | 159.9 | 158.8 | -74.9 | -156.7 | 0 | 0 | 0 | 118.7 | ||||
| 225 | Q | 27.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 148.7 Ų | 148.7 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | cis | -140.6 | 161 | 3.6 | -153.6 | 172.5 | 1.8 | 0 | 0 | 113.8 | ||||
| 226 | T | 26 | Very low | 32 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -53.7 | 146.2 | 178.9 | -46.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 227 | Q | 35.3 | Very low | 31.9 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 160.4 | 147.3 | 136.6 | -81.1 | -31.7 | -35.8 | 0 | 0 | 109.3 | ||||
| 228 | R | 26.2 | Very low | 31.8 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | cis | -169.5 | 120.8 | -16.9 | -173.1 | -178.9 | 176.7 | -167.1 | -0.2 | 111.4 | ||||
| 229 | F | 30.2 | Very low | 32.4 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 59.9 | 163.3 | 157.8 | -77.3 | -128.7 | 0 | 0 | 0 | 117.8 | ||||
| 230 | S | 29.4 | Very low | 32.5 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | -169.8 | 178.9 | -30.1 | -90.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 231 | V | 30.3 | Very low | 33.4 | Very low | 142 Ų | 142 | 139 Ų | 139 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 86.6 | 101.4 | 165 | -167.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 232 | I | 34.2 | Very low | 32.8 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -106.2 | 171.6 | 136.5 | 14.7 | 173.5 | 0 | 0 | 0 | 106.4 | ||||
| 233 | P | 49.3 | Very low | 32.8 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | cis | -136.9 | -178.9 | 13 | 37.5 | -16.7 | 0 | 0 | 0 | 116.2 | ||||
| 234 | S | 30.5 | Very low | 32.9 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | 143.9 | 148.1 | 102.1 | -141.2 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 235 | L | 30.3 | Very low | 32.9 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | 69.7 | 144.4 | 146 | -81 | 159.3 | 0 | 0 | 0 | 124 | ||||
| 236 | G | 31.2 | Very low | 33.2 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 93 | 105.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 237 | K | 31.3 | Very low | 33.5 | Very low | 216 Ų | 216 | 135 Ų | 135 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | cis | 76.9 | 114.8 | 33.7 | -153.1 | 177.4 | -176.2 | -178.6 | 0 | 113.2 | ||||
| 238 | G | 27.8 | Very low | 33.3 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -79.7 | -157.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 239 | P | 42.7 | Very low | 33.6 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | cis | -141.6 | -175.5 | 44.5 | 42.1 | -23.7 | 0 | 0 | 0 | 117.1 | ||||
| 240 | D | 33.3 | Very low | 33.6 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -65.1 | -179.1 | 161.7 | -45.9 | -89.6 | 0 | 0 | 0 | 112.2 | ||||
| 241 | P | 47.3 | Very low | 33.6 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -146.7 | -177.7 | 10.9 | 45.8 | -26.5 | 0 | 0 | 0 | 118.8 | ||||
| 242 | N | 30.3 | Very low | 33.4 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 68.8 | 107.3 | 142.4 | -165.6 | 39 | 0 | 0 | 0 | 120.7 | ||||
| 243 | S | 31.1 | Very low | 33.1 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | -158.7 | 151.8 | 128.7 | -160.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 244 | S | 32.7 | Very low | 32.2 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -101.7 | 145 | -176.8 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 245 | S | 32.7 | Very low | 32.2 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 178.1 | 151.6 | 132.6 | -82.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 246 | N | 34.2 | Very low | 32 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -86.5 | 144.3 | 167.1 | -66.4 | -67.5 | 0 | 0 | 0 | 110.4 | ||||
| 247 | T | 32.3 | Very low | 32 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -134.7 | 149.1 | 156.1 | -49.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 248 | I | 32.9 | Very low | 31.7 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | trans | -127.9 | 147.8 | -168.4 | -79.5 | 170.6 | 0 | 0 | 0 | 109 | ||||
| 249 | L | 32.8 | Very low | 31.6 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 73.5 | 152.7 | -174.6 | -59.9 | 153.6 | 0 | 0 | 0 | 113.4 | ||||
| 250 | D | 28.8 | Very low | 30.9 | Very low | 115 Ų | 115 | 136 Ų | 136 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | cis | -144.8 | 152.4 | 25.1 | -117.4 | -67.7 | 0 | 0 | 0 | 113.6 | ||||
| 251 | N | 29 | Very low | 30.5 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | trans | 58.5 | 153.8 | 149.3 | -61.8 | -34.6 | 0 | 0 | 0 | 122.3 | ||||
| 252 | L | 26.6 | Very low | 29.5 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | cis | -159.9 | 165.7 | -19.3 | -110.6 | 165.8 | 0 | 0 | 0 | 110.1 | ||||
| 253 | L | 28.8 | Very low | 29.4 | Very low | 153 Ų | 153 | 140 Ų | 140 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | 10 | 124.7 | 156.3 | -68.5 | 163.5 | 0 | 0 | 0 | 119.6 | ||||
| 254 | N | 30.6 | Very low | 29.5 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | -168.9 | 162.1 | 86.1 | -162.1 | 10.8 | 0 | 0 | 0 | 111.7 | |||||
| 255 | A | 29.8 | Very low | 29.4 | Very low | 78 Ų | 78 | 143.3 Ų | 143.3 | 65% | 0.645 | 78% | 0.781 | S | S | * | * | trans | -103.1 | 134.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 256 | S | 25.1 | Very low | 29.1 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -178.6 | 97.3 | 146.2 | -84.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 257 | Y | 31.2 | Very low | 29 | Very low | 244 Ų | 244 | 142.7 Ų | 142.7 | 96% | 0.957 | 77% | 0.771 | S | S | * | * | trans | -106.9 | 93 | 172.3 | -81.8 | -69.6 | 0 | 0 | 0 | 112.2 | ||||
| 258 | G | 25.6 | Very low | 28.6 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | -90.5 | 118 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 259 | V | 27 | Very low | 28.3 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | trans | 35.5 | 104.8 | 145.8 | -168.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 260 | K | 26.6 | Very low | 28.1 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | 175.2 | 117.7 | 138.3 | -88.8 | 140 | -164.2 | 172.7 | 0 | 107.8 | ||||
| 261 | R | 25.2 | Very low | 28 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | 86.7 | 140.6 | 66.3 | -94.1 | -161.8 | 175.2 | -114 | -0.3 | 114.5 | |||||
| 262 | F | 27.2 | Very low | 27.9 | Very low | 184 Ų | 184 | 140 Ų | 140 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 75.2 | 140.9 | -178.5 | -56.8 | -73.5 | 0 | 0 | 0 | 114.7 | ||||
| 263 | S | 26.8 | Very low | 28 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | cis | -150.6 | 160.1 | -5.1 | -99.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 264 | P | 34 | Very low | 27.8 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -82.2 | 152.4 | 179 | 34.1 | -35.2 | 0 | 0 | 0 | 113.2 | ||||
| 265 | I | 29.5 | Very low | 27.7 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | -124.4 | 150.1 | 168.7 | -81.9 | -179.9 | 0 | 0 | 0 | 110.7 | ||||
| 266 | T | 27.2 | Very low | 27.6 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -50.3 | 158 | -166.9 | -9.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 267 | I | 31.3 | Very low | 27.8 | Very low | 140 Ų | 140 | 140 Ų | 140 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | -28.5 | 154.5 | 152.3 | -140.5 | 156.9 | 0 | 0 | 0 | 114.1 | ||||
| 268 | D | 24.5 | Very low | 27.8 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | -165.5 | -176.6 | 51 | -141.6 | -44.3 | 0 | 0 | 0 | 114.4 | |||||
| 269 | S | 26.2 | Very low | 28.1 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 82.4 | 145.1 | 167.1 | -51.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 270 | M | 28.1 | Very low | 28.4 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 80% | 0.803 | 76% | 0.76 | S | S | * | * | cis | -164.4 | 151.1 | -27.2 | -162.7 | 167.7 | 179.1 | 0 | 0 | 111.1 | ||||
| 271 | T | 27.1 | Very low | 29 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | 58.6 | 107 | 157.5 | 36.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 272 | S | 27.9 | Very low | 29.9 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 52 | 120.3 | 127.1 | 66.2 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 273 | L | 28.3 | Very low | 30.9 | Very low | 177 Ų | 177 | 121.6 Ų | 121.6 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | -145.7 | 140.9 | 111.2 | -152.3 | 73.2 | 0 | 0 | 0 | 110.5 | |||||
| 274 | A | 24.6 | Very low | 32.6 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -96.1 | 145.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 275 | G | 27.7 | Very low | 34.6 | Very low | 76 Ų | 76 | 116.3 Ų | 116.3 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | 178.9 | -9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 276 | V | 27.8 | Very low | 37.3 | Very low | 134 Ų | 134 | 112.6 Ų | 112.6 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -140.9 | 123.9 | 177.1 | -95.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 277 | N | 28.9 | Very low | 40.3 | Very low | 154 Ų | 154 | 108.4 Ų | 108.4 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | trans | -97.5 | 102.4 | 178.2 | -136.3 | -34.1 | 0 | 0 | 0 | 108.8 | ||||
| 278 | L | 31.1 | Very low | 43.2 | Very low | 120 Ų | 120 | 101.7 Ų | 101.7 | 63% | 0.628 | 66% | 0.656 | S | S | * | * | trans | -125.2 | 82.2 | -179 | -82.1 | 167.3 | 0 | 0 | 0 | 110.5 | G280 | L278-G280 VanDerWaalsContact C-N 3.32Å; L278-G280 PolarHBondContact O-N 3.35Å | ||
| 279 | T | 32 | Very low | 46.5 | Very low | 134 Ų | 134 | 98.4 Ų | 98.4 | 82% | 0.822 | 64% | 0.635 | S | S | * | * | trans | -73.7 | 78 | 178.7 | 38.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 280 | G | 34.4 | Very low | 49.7 | Very low | 40 Ų | 40 | 93.4 Ų | 93.4 | 41% | 0.412 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 145.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L278 | L278-G280 VanDerWaalsContact C-N 3.32Å; L278-G280 PolarHBondContact O-N 3.35Å |
| 281 | P | 38.9 | Very low | 52.8 | Low | 120 Ų | 120 | 91 Ų | 91 | 78% | 0.779 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -66 | 133.7 | 178.5 | -20.2 | 32.9 | 0 | 0 | 0 | 112.6 | G283 | P281-G283 PolarHBondContact O-N 2.97Š|
| 282 | T | 43.5 | Very low | 55.8 | Low | 151 Ų | 151 | 88 Ų | 88 | 93% | 0.926 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 127.9 | -179 | 40.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 283 | G | 48.4 | Very low | 58.8 | Low | 82 Ų | 82 | 83 Ų | 83 | 85% | 0.845 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | 1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | P281 | P281-G283 PolarHBondContact O-N 2.97Š|
| 284 | A | 62.8 | Low | 61.6 | Low | 81 Ų | 81 | 76 Ų | 76 | 67% | 0.669 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -120.4 | 132.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 285 | G | 76.3 | Confident | 64.5 | Low | 29 Ų | 29 | 73.5 Ų | 73.5 | 30% | 0.299 | 47% | 0.469 | S | S | . | . | trans | -66.3 | 167.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C287 T333 M334 | G285-C287 PolarHBondContact O-N 2.79Å; G285-C287 VanDerWaalsContact O-N 3.13Å; G285-T333 WeakPolarHBondContact O-CG2 3.29Å; G285-M334 CarbonylContact C-O 3.56Å; G285-M334 VanDerWaalsContact CA-O 3.3Å; G285-M334 WeakPolarHBondContact CA-O 3.07Å | ||
| 286 | W | 86.1 | Confident | 67.1 | Low | 91 Ų | 91 | 76.2 Ų | 76.2 | 35% | 0.345 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 107.8 | -175.3 | -60.5 | 93.7 | 0 | 0 | 0 | 110.5 | T333 M334 Y337 A340 F361 | W286-T333 WeakPolarHBondContact O-CA 3.47Å; W286-M334 PolarHBondContact N-O 3.47Å; W286-M334 PolarHBondContact O-N 3.03Å; W286-Y337 AromaticContact CD2-CD2 3.79Å; W286-Y337 HydrophobicContact CD2-CD2 3.79Å; W286-Y337 HydrophobicContact CD2-CG 4.45Å; W286-Y337 AromaticContact CE3-CD2 3.61Å; W286-Y337 HydrophobicContact CE3-CD2 3.61Å; W286-Y337 HydrophobicContact CE3-CE2 4.28Å; W286-Y337 AromaticContact CH2-CD2 3.92Å; W286-Y337 HydrophobicContact CH2-CD2 3.92Å; W286-Y337 HydrophobicContact CH2-CG 4.5Å; W286-Y337 HydrophobicContact CZ2-CD2 4.11Å; W286-Y337 HydrophobicContact CZ2-CG 4.35Å; W286-Y337 AromaticContact CZ3-CD2 3.68Å; W286-Y337 HydrophobicContact CZ3-CD2 3.68Å; W286-Y337 HydrophobicContact CZ3-CE2 4.17Å; W286-A340 HydrophobicContact CB-CB 3.98Å; W286-F361 HydrophobicContact CB-CE1 4.35Å |
| 287 | C | 90.1 | Very high | 69.8 | Low | 34 Ų | 34 | 70.1 Ų | 70.1 | 23% | 0.23 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118.6 | -175.7 | -165 | 0 | 0 | 0 | 0 | 110.8 | G285 V332 K362 | G285-C287 PolarHBondContact O-N 2.79Å; G285-C287 VanDerWaalsContact O-N 3.13Å; C287-V332 CarbonylContact C-O 3.49Å; C287-V332 WeakPolarHBondContact CA-O 3.37Å; C287-K362 HydrophobicContact CB-CB 4.15Å; C287-K362 HydrophobicContact CB-CD 4.06Å; C287-K362 VanDerWaalsContact O-CB 3.23Å; C287-K362 WeakPolarHBondContact O-CB 3.41Å; C287-K362 PolarHBondContact O-N 2.81Å; C287-K362 WeakPolarHBondContact SG-CD 3.47Å |
| 288 | I | 93.2 | Very high | 72.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.9 | 175.9 | -51.6 | 176.5 | 0 | 0 | 0 | 107.9 | V290 F306 F331 V332 M334 A340 A343 I344 V359 S360 | I288-V290 HydrophobicContact CG2-CG2 4.4Å; I288-F306 HydrophobicContact CD1-CD1 3.95Å; I288-F306 HydrophobicContact CD1-CE1 3.63Å; I288-F306 HydrophobicContact CG2-CE1 4.06Å; I288-F306 HydrophobicContact CG2-CZ 4.3Å; I288-F331 WeakPolarHBondContact O-CA 3.5Å; I288-V332 HydrophobicContact CB-CB 4.42Å; I288-V332 PolarHBondContact N-O 2.98Å; I288-V332 PolarHBondContact O-N 3.39Å; I288-M334 HydrophobicContact CD1-CG 4.12Å; I288-M334 HydrophobicContact CD1-SD 3.61Å; I288-A340 HydrophobicContact CD1-CB 3.85Å; I288-A340 HydrophobicContact CG1-CB 4.24Å; I288-A343 HydrophobicContact CD1-CB 4.43Å; I288-I344 HydrophobicContact CD1-CG1 4.31Å; I288-I344 HydrophobicContact CG1-CD1 4.24Å; I288-I344 HydrophobicContact CG1-CG1 4.4Å; I288-I344 HydrophobicContact CG2-CD1 4.31Å; I288-I344 HydrophobicContact CG2-CG1 3.88Å; I288-V359 HydrophobicContact CG2-CG1 3.46Å; I288-V359 VanDerWaalsContact CG2-CG1 3.46Å; I288-S360 CarbonylContact C-O 3.59Å; I288-S360 WeakPolarHBondContact CA-O 3.35Å; I288-S360 WeakPolarHBondContact CG2-O 3.44Å |
| 289 | F | 93.8 | Very high | 75.5 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 27% | 0.268 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 132.9 | 169.6 | 176.4 | -121.4 | 0 | 0 | 0 | 109.1 | Y291 F329 F331 V359 S360 K362 | F289-Y291 HydrophobicContact CE1-CD2 4.22Å; F289-Y291 HydrophobicContact CE1-CG 4.26Å; F289-Y291 AromaticContact CZ-CD2 3.74Å; F289-Y291 HydrophobicContact CZ-CD2 3.74Å; F289-Y291 HydrophobicContact CZ-CG 4.21Å; F289-F329 HydrophobicContact CE2-CB 3.95Å; F289-F329 AromaticContact CE2-CD2 3.74Å; F289-F329 HydrophobicContact CE2-CD2 3.74Å; F289-F329 HydrophobicContact CE2-CG 4.12Å; F289-F329 HydrophobicContact CZ-CB 4.29Å; F289-F331 HydrophobicContact CB-CD1 4.49Å; F289-F331 HydrophobicContact CB-CE1 4.46Å; F289-F331 HydrophobicContact CD2-CD1 4.06Å; F289-F331 AromaticContact CD2-CE1 3.55Å; F289-F331 HydrophobicContact CD2-CE1 3.55Å; F289-F331 HydrophobicContact CD2-CZ 4.04Å; F289-F331 HydrophobicContact CE2-CE1 4.25Å; F289-F331 HydrophobicContact CE2-CZ 4.31Å; F289-F331 HydrophobicContact CG-CE1 4.41Å; F289-V359 WeakPolarHBondContact O-CA 3.49Å; F289-S360 PolarHBondContact N-O 3.23Å; F289-S360 PolarHBondContact O-N 3.04Å; F289-S360 VanDerWaalsContact O-N 3.09Å; F289-K362 HydrophobicContact CB-CB 4.43Å |
| 290 | V | 93.4 | Very high | 78.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.8 | 177.6 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | I288 L293 L302 F306 F329 G330 V332 Q358 V359 | I288-V290 HydrophobicContact CG2-CG2 4.4Å; V290-L293 HydrophobicContact CG1-CD1 4.33Å; V290-L293 HydrophobicContact CG1-CD2 3.92Å; V290-L293 HydrophobicContact CG1-CG 4.07Å; V290-L302 HydrophobicContact CB-CD2 4.28Å; V290-L302 HydrophobicContact CG1-CD2 3.95Å; V290-L302 HydrophobicContact CG2-CD2 4.18Å; V290-F306 HydrophobicContact CG2-CE2 3.85Å; V290-F306 HydrophobicContact CG2-CZ 3.65Å; V290-F329 CarbonylContact O-C 3.58Å; V290-F329 WeakPolarHBondContact O-CA 3.5Å; V290-F329 WeakPolarHBondContact O-CB 3.45Å; V290-G330 PolarHBondContact N-O 3.34Å; V290-G330 PolarHBondContact O-N 2.83Å; V290-V332 HydrophobicContact CG2-CG2 4.12Å; V290-Q358 WeakPolarHBondContact CA-O 3.2Å; V290-V359 HydrophobicContact CG1-CG2 4.27Å; V290-V359 HydrophobicContact CG2-CG1 4.41Å |
| 291 | Y | 92.7 | Very high | 81 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 161.3 | -174.5 | -172.8 | -96.1 | 0 | 0 | 0 | 111.6 | F289 L293 G328 F329 Q358 | F289-Y291 HydrophobicContact CE1-CD2 4.22Å; F289-Y291 HydrophobicContact CE1-CG 4.26Å; F289-Y291 AromaticContact CZ-CD2 3.74Å; F289-Y291 HydrophobicContact CZ-CD2 3.74Å; F289-Y291 HydrophobicContact CZ-CG 4.21Å; Y291-L293 VanDerWaalsContact C-N 3.34Å; Y291-G328 CarbonylContact C-O 3.53Å; Y291-F329 HydrophobicContact CD2-CB 3.76Å; Y291-F329 HydrophobicContact CE2-CB 4.46Å; Y291-Q358 PolarHBondContact N-O 2.9Å; Y291-Q358 PolarHBondContact O-N 2.88Å |
| 292 | N | 90.8 | Very high | 83.5 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 59.4 | 36.6 | -170.1 | -163.5 | 29.8 | 0 | 0 | 0 | 114.5 | G328 R355 V356 | N292-G328 WeakPolarHBondContact CA-O 3.49Å; N292-G328 PolarHBondContact N-O 2.83Å; N292-R355 WeakPolarHBondContact O-CB 3.48Å; N292-R355 WeakPolarHBondContact O-CD 3.06Å; N292-R355 PolarHBondContact OD1-NH1 2.89Å; N292-V356 WeakPolarHBondContact CB-O 3.34Å; N292-V356 PolarHBondContact ND2-O 2.89Å |
| 293 | L | 90.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -64.3 | 154.4 | 168.1 | -70.2 | 170 | 0 | 0 | 0 | 111.4 | V290 Y291 A297 L302 V317 G328 L352 R355 L357 | V290-L293 HydrophobicContact CG1-CD1 4.33Å; V290-L293 HydrophobicContact CG1-CD2 3.92Å; V290-L293 HydrophobicContact CG1-CG 4.07Å; Y291-L293 VanDerWaalsContact C-N 3.34Å; L293-A297 HydrophobicContact CB-CB 4.21Å; L293-A297 HydrophobicContact CD2-CB 4.25Å; L293-L302 HydrophobicContact CD1-CD1 4.18Å; L293-L302 HydrophobicContact CD2-CD2 4.03Å; L293-V317 HydrophobicContact CD1-CG1 4.44Å; L293-G328 PolarHBondContact N-O 3.09Å; L293-L352 HydrophobicContact CD2-CD2 4.2Å; L293-R355 WeakPolarHBondContact O-CD 3.45Å; L293-L357 HydrophobicContact CD2-CD2 3.79Å; L293-L357 HydrophobicContact CG-CD2 4.47Å | ||
| 294 | S | 87.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 22% | 0.217 | 30% | 0.299 | C | S | . | . | trans | -61.4 | 146.5 | 168.3 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | E296 A297 | S294-E296 PolarHBondContact O-N 2.78Å; S294-E296 PolarHBondContact OG-N 3.49Å; S294-A297 WeakPolarHBondContact O-CB 3.31Å; S294-A297 PolarHBondContact O-N 2.78Å | ||
| 295 | P | 84.6 | Confident | 89.2 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -8.4 | 168.5 | 25.8 | -35.7 | 0 | 0 | 0 | 114 | K325 C326 | P295-K325 HydrophobicContact CB-CB 4.38Å; P295-K325 WeakPolarHBondContact O-CB 3.43Å; P295-C326 PolarHBondContact O-N 3.05Å |
| 296 | E | 83.6 | Confident | 90 | Very high | 133 Ų | 133 | 52.2 Ų | 52.2 | 62% | 0.621 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 9.5 | -179.4 | -55.2 | -177.9 | 150.6 | 0 | 0 | 112.4 | S294 D298 K325 | S294-E296 PolarHBondContact O-N 2.78Å; S294-E296 PolarHBondContact OG-N 3.49Å; E296-D298 PolarHBondContact O-N 2.94Å; E296-K325 IonicContact OE1-NZ 3.98Å; E296-K325 PolarHBondContact OE1-NZ 2.78Å |
| 297 | A | 84.9 | Confident | 90.2 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | trans | -84.9 | 107.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L293 S294 C326 L352 | L293-A297 HydrophobicContact CB-CB 4.21Å; L293-A297 HydrophobicContact CD2-CB 4.25Å; S294-A297 WeakPolarHBondContact O-CB 3.31Å; S294-A297 PolarHBondContact O-N 2.78Å; A297-C326 PolarHBondContact O-SG 2.87Å; A297-L352 HydrophobicContact CB-CD2 4.35Å | ||
| 298 | D | 88.7 | Confident | 90.3 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | trans | -83.7 | 168.2 | 177.6 | -62.9 | -41.9 | 0 | 0 | 0 | 113.3 | E296 S300 V301 R319 | E296-D298 PolarHBondContact O-N 2.94Å; D298-S300 PolarHBondContact O-N 2.94Å; D298-S300 VanDerWaalsContact O-N 3.12Å; D298-V301 WeakPolarHBondContact O-CB 3.34Å; D298-V301 PolarHBondContact O-N 2.7Å; D298-R319 IonicContact OD1-CZ 2.97Å; D298-R319 IonicContact OD1-NH1 3.86Å; D298-R319 PolarHBondContact OD1-NH1 3.13Å; D298-R319 IonicContact OD1-NH2 2.8Å; D298-R319 PolarHBondContact OD1-NH2 2.84Å | ||
| 299 | E | 90.7 | Very high | 90.2 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -51.7 | -35.2 | 177.1 | -74.9 | 71.4 | -164.4 | 0 | 0 | 112.9 | V301 L302 W303 V315 V317 R319 | E299-V301 VanDerWaalsContact C-N 3.26Å; E299-V301 PolarHBondContact O-N 2.68Å; E299-L302 PolarHBondContact O-N 2.91Å; E299-L302 VanDerWaalsContact O-N 3.13Å; E299-W303 PolarHBondContact O-N 2.8Å; E299-V315 HydrophobicContact CB-CB 4.5Å; E299-V315 HydrophobicContact CB-CG1 3.92Å; E299-V315 HydrophobicContact CG-CB 4.5Å; E299-V315 HydrophobicContact CG-CG1 3.93Å; E299-V317 HydrophobicContact CG-CG2 4.07Å; E299-V317 VanDerWaalsContact OE1-CB 3.31Å; E299-V317 WeakPolarHBondContact OE1-CB 3.5Å; E299-V317 PolarHBondContact OE1-N 2.74Å; E299-R319 IonicContact OE1-NE 3.2Å; E299-R319 IonicContact OE1-NH2 2.7Å; E299-R319 IonicContact OE2-CZ 2.68Å; E299-R319 IonicContact OE2-NE 3.69Å; E299-R319 IonicContact OE2-NH2 2.78Å; E299-R319 PolarHBondContact OE2-NH2 2.75Å |
| 300 | S | 91.4 | Very high | 89.9 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 54% | 0.538 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.5 | -36.3 | 178.3 | 51 | 0 | 0 | 0 | 0 | 113.2 | D298 W303 Q304 | D298-S300 PolarHBondContact O-N 2.94Å; D298-S300 VanDerWaalsContact O-N 3.12Å; S300-W303 PolarHBondContact O-N 2.97Å; S300-Q304 WeakPolarHBondContact O-CB 3.46Å; S300-Q304 PolarHBondContact O-N 2.91Å |
| 301 | V | 90.3 | Very high | 89.6 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 178.7 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | D298 E299 Q304 L305 L352 | D298-V301 WeakPolarHBondContact O-CB 3.34Å; D298-V301 PolarHBondContact O-N 2.7Å; E299-V301 VanDerWaalsContact C-N 3.26Å; E299-V301 PolarHBondContact O-N 2.68Å; V301-Q304 PolarHBondContact O-N 2.96Å; V301-L305 HydrophobicContact CG1-CD1 4.06Å; V301-L305 WeakPolarHBondContact O-CB 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.29Å; V301-L305 WeakPolarHBondContact O-CG 3.21Å; V301-L305 PolarHBondContact O-N 3.17Å; V301-L352 HydrophobicContact CG1-CD1 3.83Å; V301-L352 HydrophobicContact CG1-CD2 3.88Å |
| 302 | L | 91.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 175.4 | -68.2 | 176.6 | 0 | 0 | 0 | 112.1 | V290 L293 E299 Q304 L305 F306 V315 V317 V332 | V290-L302 HydrophobicContact CB-CD2 4.28Å; V290-L302 HydrophobicContact CG1-CD2 3.95Å; V290-L302 HydrophobicContact CG2-CD2 4.18Å; L293-L302 HydrophobicContact CD1-CD1 4.18Å; L293-L302 HydrophobicContact CD2-CD2 4.03Å; E299-L302 PolarHBondContact O-N 2.91Å; E299-L302 VanDerWaalsContact O-N 3.13Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.26Å; L302-L305 PolarHBondContact O-N 3.43Å; L302-F306 HydrophobicContact CD2-CD2 4.39Å; L302-F306 HydrophobicContact CD2-CE2 4Å; L302-F306 WeakPolarHBondContact O-CB 3.37Å; L302-F306 WeakPolarHBondContact O-CD2 3.2Å; L302-F306 PolarHBondContact O-N 3.06Å; L302-V315 HydrophobicContact CB-CG1 3.6Å; L302-V315 HydrophobicContact CB-CG2 4.5Å; L302-V315 HydrophobicContact CD1-CG1 3.67Å; L302-V315 HydrophobicContact CG-CG1 4.27Å; L302-V317 HydrophobicContact CD1-CG2 3.79Å; L302-V332 HydrophobicContact CB-CG2 4.07Å; L302-V332 HydrophobicContact CD1-CG2 4.12Å; L302-V332 HydrophobicContact CD2-CG2 4.3Å; L302-V332 HydrophobicContact CG-CG2 4.41Å |
| 303 | W | 92 | Very high | 89.4 | Confident | 116 Ų | 116 | 52.8 Ų | 52.8 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 170.9 | -78 | 106.2 | 0 | 0 | 0 | 111.6 | E299 S300 G307 V312 V315 | E299-W303 PolarHBondContact O-N 2.8Å; S300-W303 PolarHBondContact O-N 2.97Å; W303-G307 WeakPolarHBondContact O-CA 3.46Å; W303-G307 PolarHBondContact O-N 2.85Å; W303-V312 HydrophobicContact CD2-CG1 4.33Å; W303-V312 HydrophobicContact CE3-CB 3.81Å; W303-V312 HydrophobicContact CE3-CG1 3.78Å; W303-V312 HydrophobicContact CH2-CB 4.24Å; W303-V312 HydrophobicContact CH2-CG1 3.83Å; W303-V312 WeakPolarHBondContact CH2-O 3.42Å; W303-V312 HydrophobicContact CZ2-CG1 4.36Å; W303-V312 HydrophobicContact CZ3-CB 3.51Å; W303-V312 HydrophobicContact CZ3-CG1 3.53Å; W303-V312 VanDerWaalsContact CZ3-O 3.23Å; W303-V312 WeakPolarHBondContact CZ3-O 3.44Å; W303-V315 HydrophobicContact CD2-CG2 3.73Å; W303-V315 VanDerWaalsContact CE2-CG2 3.46Å; W303-V315 HydrophobicContact CE3-CG2 4.43Å; W303-V315 HydrophobicContact CG-CG2 3.93Å; W303-V315 HydrophobicContact CZ2-CB 4.39Å; W303-V315 HydrophobicContact CZ2-CG2 3.94Å |
| 304 | Q | 90.8 | Very high | 89.1 | Confident | 152 Ų | 152 | 56.1 Ų | 56.1 | 71% | 0.71 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.3 | -36.1 | 179.6 | -169.5 | 63.1 | 27.3 | 0 | 0 | 113.1 | S300 V301 L302 P308 | S300-Q304 WeakPolarHBondContact O-CB 3.46Å; S300-Q304 PolarHBondContact O-N 2.91Å; V301-Q304 PolarHBondContact O-N 2.96Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.26Å; Q304-P308 VanDerWaalsContact O-CD 3.31Å; Q304-P308 WeakPolarHBondContact O-CD 3.37Å |
| 305 | L | 91 | Very high | 89.3 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.8 | -40.2 | 178.6 | -74.8 | 169.6 | 0 | 0 | 0 | 113.1 | V301 L302 F309 L347 Y350 L352 L357 | V301-L305 HydrophobicContact CG1-CD1 4.06Å; V301-L305 WeakPolarHBondContact O-CB 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.29Å; V301-L305 WeakPolarHBondContact O-CG 3.21Å; V301-L305 PolarHBondContact O-N 3.17Å; L302-L305 PolarHBondContact O-N 3.43Å; L305-F309 WeakPolarHBondContact O-CD2 3.3Å; L305-F309 WeakPolarHBondContact O-CE2 3.48Å; L305-L347 HydrophobicContact CB-CD1 4.31Å; L305-L347 HydrophobicContact CB-CD2 4.45Å; L305-L347 HydrophobicContact CD2-CD2 4.21Å; L305-Y350 HydrophobicContact CD2-CD1 4.18Å; L305-Y350 HydrophobicContact CD2-CE1 3.67Å; L305-L352 HydrophobicContact CD1-CD1 4.48Å; L305-L357 HydrophobicContact CD1-CD1 3.98Å |
| 306 | F | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -92.9 | -23.9 | -174.7 | -75.3 | -98.9 | 0 | 0 | 0 | 113.9 | I288 V290 L302 P308 F309 V312 V332 M334 A343 L347 V359 | I288-F306 HydrophobicContact CD1-CD1 3.95Å; I288-F306 HydrophobicContact CD1-CE1 3.63Å; I288-F306 HydrophobicContact CG2-CE1 4.06Å; I288-F306 HydrophobicContact CG2-CZ 4.3Å; V290-F306 HydrophobicContact CG2-CE2 3.85Å; V290-F306 HydrophobicContact CG2-CZ 3.65Å; L302-F306 HydrophobicContact CD2-CD2 4.39Å; L302-F306 HydrophobicContact CD2-CE2 4Å; L302-F306 WeakPolarHBondContact O-CB 3.37Å; L302-F306 WeakPolarHBondContact O-CD2 3.2Å; L302-F306 PolarHBondContact O-N 3.06Å; F306-P308 VanDerWaalsContact C-CD 3.45Å; F306-F309 PolarHBondContact O-N 2.86Å; F306-V312 HydrophobicContact CB-CG2 3.63Å; F306-V332 HydrophobicContact CB-CG1 4.03Å; F306-V332 HydrophobicContact CD1-CB 4.42Å; F306-V332 HydrophobicContact CD1-CG1 3.96Å; F306-V332 HydrophobicContact CD2-CG1 4.32Å; F306-V332 HydrophobicContact CD2-CG2 3.9Å; F306-V332 HydrophobicContact CE2-CG2 3.93Å; F306-V332 HydrophobicContact CG-CB 4.42Å; F306-V332 HydrophobicContact CG-CG1 3.84Å; F306-V332 HydrophobicContact CG-CG2 4.26Å; F306-V332 HydrophobicContact CZ-CG2 4.32Å; F306-M334 HydrophobicContact CD1-SD 4Å; F306-A343 HydrophobicContact CD1-CB 3.77Å; F306-A343 HydrophobicContact CE1-CB 3.93Å; F306-L347 HydrophobicContact CD1-CD1 3.84Å; F306-L347 HydrophobicContact CD2-CD1 3.77Å; F306-L347 HydrophobicContact CE1-CD1 3.66Å; F306-L347 HydrophobicContact CE2-CD1 3.61Å; F306-L347 HydrophobicContact CG-CD1 3.89Å; F306-L347 HydrophobicContact CZ-CD1 3.55Å; F306-V359 HydrophobicContact CE1-CG1 4.15Å; F306-V359 HydrophobicContact CZ-CG1 3.78Å |
| 307 | G | 89.9 | Confident | 89.9 | Confident | 42 Ų | 42 | 50.7 Ų | 50.7 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -54.3 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | W303 F309 | W303-G307 WeakPolarHBondContact O-CA 3.46Å; W303-G307 PolarHBondContact O-N 2.85Å; G307-F309 PolarHBondContact O-N 3.16Å |
| 308 | P | 92.7 | Very high | 90.1 | Very high | 103 Ų | 103 | 52.1 Ų | 52.1 | 67% | 0.669 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -65.3 | -20.8 | 175.4 | -25.2 | 35.9 | 0 | 0 | 0 | 114.9 | Q304 F306 | Q304-P308 VanDerWaalsContact O-CD 3.31Å; Q304-P308 WeakPolarHBondContact O-CD 3.37Å; F306-P308 VanDerWaalsContact C-CD 3.45Å |
| 309 | F | 90.4 | Very high | 90.2 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -94.5 | -16.7 | -175.3 | -63.4 | -83.6 | 0 | 0 | 0 | 113.8 | L305 F306 G307 M334 E339 M342 A343 S346 L347 | L305-F309 WeakPolarHBondContact O-CD2 3.3Å; L305-F309 WeakPolarHBondContact O-CE2 3.48Å; F306-F309 PolarHBondContact O-N 2.86Å; G307-F309 PolarHBondContact O-N 3.16Å; F309-M334 HydrophobicContact CB-CE 4.1Å; F309-E339 VanDerWaalsContact O-CB 3.28Å; F309-E339 WeakPolarHBondContact O-CB 3.4Å; F309-E339 WeakPolarHBondContact O-CG 3.39Å; F309-M342 HydrophobicContact CD1-CB 4.44Å; F309-A343 HydrophobicContact CB-CB 3.71Å; F309-A343 HydrophobicContact CD1-CB 4.31Å; F309-A343 HydrophobicContact CD2-CB 4.13Å; F309-A343 HydrophobicContact CG-CB 3.79Å; F309-S346 WeakPolarHBondContact CE1-OG 3.46Å; F309-S346 VanDerWaalsContact CZ-CB 3.46Å; F309-L347 HydrophobicContact CD2-CD1 4.16Å; F309-L347 HydrophobicContact CE2-CD1 3.87Å; F309-L347 HydrophobicContact CE2-CD2 4.01Å; F309-L347 HydrophobicContact CE2-CG 3.88Å; F309-L347 HydrophobicContact CZ-CD2 4.42Å; F309-L347 HydrophobicContact CZ-CG 4.28Å |
| 310 | G | 87.5 | Confident | 89.9 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 161.6 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V312 M334 E339 | G310-V312 PolarHBondContact O-N 2.91Å; G310-V312 VanDerWaalsContact O-N 3.13Å; G310-M334 VanDerWaalsContact CA-CE 3.5Å; G310-E339 VanDerWaalsContact CA-CD 3.46Å; G310-E339 WeakPolarHBondContact CA-OE2 3.47Å |
| 311 | A | 87.9 | Confident | 89.3 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 44% | 0.438 | 31% | 0.307 | S | S | . | . | trans | -79.4 | 102.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M334 T335 E339 | A311-M334 WeakPolarHBondContact O-CA 3.49Å; A311-T335 HydrophobicContact CB-CG2 3.98Å; A311-T335 PolarHBondContact O-N 3.24Å; A311-T335 PolarHBondContact O-OG1 2.99Å; A311-E339 PolarHBondContact N-OE2 3.47Å; A311-E339 VanDerWaalsContact N-OE2 3.1Å | ||
| 312 | V | 90.1 | Very high | 88.9 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 126.7 | 172.3 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | W303 F306 G310 V315 V332 M334 | W303-V312 HydrophobicContact CD2-CG1 4.33Å; W303-V312 HydrophobicContact CE3-CB 3.81Å; W303-V312 HydrophobicContact CE3-CG1 3.78Å; W303-V312 HydrophobicContact CH2-CB 4.24Å; W303-V312 HydrophobicContact CH2-CG1 3.83Å; W303-V312 WeakPolarHBondContact CH2-O 3.42Å; W303-V312 HydrophobicContact CZ2-CG1 4.36Å; W303-V312 HydrophobicContact CZ3-CB 3.51Å; W303-V312 HydrophobicContact CZ3-CG1 3.53Å; W303-V312 VanDerWaalsContact CZ3-O 3.23Å; W303-V312 WeakPolarHBondContact CZ3-O 3.44Å; F306-V312 HydrophobicContact CB-CG2 3.63Å; G310-V312 PolarHBondContact O-N 2.91Å; G310-V312 VanDerWaalsContact O-N 3.13Å; V312-V315 HydrophobicContact CG1-CG2 3.61Å; V312-V332 HydrophobicContact CG1-CG1 3.76Å; V312-V332 HydrophobicContact CG2-CG1 4.11Å; V312-M334 HydrophobicContact CG2-CG 4.2Å |
| 313 | T | 87.9 | Confident | 88.4 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -29.1 | -179.3 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | T333 T335 | T313-T333 PolarHBondContact N-O 2.84Å; T313-T333 WeakPolarHBondContact OG1-CG2 3.42Å; T313-T333 PolarHBondContact OG1-O 2.81Å; T313-T335 HydrophobicContact CG2-CG2 3.48Å; T313-T335 VanDerWaalsContact CG2-CG2 3.48Å |
| 314 | N | 85.1 | Confident | 87.8 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 38% | 0.38 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 145.6 | -179.1 | -158.2 | -100.9 | 0 | 0 | 0 | 111.2 | V332 T333 | N314-V332 CarbonylContact O-C 3.52Å; N314-V332 WeakPolarHBondContact O-CA 3.44Å; N314-T333 PolarHBondContact N-O 3.44Å; N314-T333 PolarHBondContact O-N 3.38Å |
| 315 | V | 91.2 | Very high | 87.4 | Confident | 16 Ų | 16 | 63 Ų | 63 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 136.2 | 170.9 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | E299 L302 W303 V312 F331 V332 | E299-V315 HydrophobicContact CB-CB 4.5Å; E299-V315 HydrophobicContact CB-CG1 3.92Å; E299-V315 HydrophobicContact CG-CB 4.5Å; E299-V315 HydrophobicContact CG-CG1 3.93Å; L302-V315 HydrophobicContact CB-CG1 3.6Å; L302-V315 HydrophobicContact CB-CG2 4.5Å; L302-V315 HydrophobicContact CD1-CG1 3.67Å; L302-V315 HydrophobicContact CG-CG1 4.27Å; W303-V315 HydrophobicContact CD2-CG2 3.73Å; W303-V315 VanDerWaalsContact CE2-CG2 3.46Å; W303-V315 HydrophobicContact CE3-CG2 4.43Å; W303-V315 HydrophobicContact CG-CG2 3.93Å; W303-V315 HydrophobicContact CZ2-CB 4.39Å; W303-V315 HydrophobicContact CZ2-CG2 3.94Å; V312-V315 HydrophobicContact CG1-CG2 3.61Å; V315-F331 WeakPolarHBondContact CA-O 3.23Å; V315-V332 HydrophobicContact CG2-CG1 4.4Å; V315-V332 HydrophobicContact CG2-CG2 4.42Å |
| 316 | K | 89.9 | Confident | 87.2 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 111.7 | 174.4 | -178.3 | 179.3 | -178 | 178.9 | 0 | 110 | I67 I318 G330 F331 | I67-K316 PolarHBondContact O-NZ 3.49Å; K316-I318 HydrophobicContact CD-CD1 4.06Å; K316-I318 HydrophobicContact CG-CD1 4.04Å; K316-G330 CarbonylContact O-C 3.56Å; K316-G330 WeakPolarHBondContact O-CA 3.37Å; K316-F331 PolarHBondContact N-O 3.4Å; K316-F331 PolarHBondContact O-N 3.13Å |
| 317 | V | 91.1 | Very high | 86.8 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 140.7 | 167.9 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | L293 E299 L302 C326 | L293-V317 HydrophobicContact CD1-CG1 4.44Å; E299-V317 HydrophobicContact CG-CG2 4.07Å; E299-V317 VanDerWaalsContact OE1-CB 3.31Å; E299-V317 WeakPolarHBondContact OE1-CB 3.5Å; E299-V317 PolarHBondContact OE1-N 2.74Å; L302-V317 HydrophobicContact CD1-CG2 3.79Å; V317-C326 HydrophobicContact CG1-CB 3.72Å; V317-C326 VanDerWaalsContact CG1-SG 3.58Å |
| 318 | I | 89.1 | Confident | 86.7 | Confident | 37 Ų | 37 | 66.1 Ų | 66.1 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.5 | 175.6 | -56.2 | -54.3 | 0 | 0 | 0 | 108.3 | K316 K327 F329 F331 | K316-I318 HydrophobicContact CD-CD1 4.06Å; K316-I318 HydrophobicContact CG-CD1 4.04Å; I318-K327 HydrophobicContact CG2-CD 4.18Å; I318-K327 HydrophobicContact CG2-CG 4.46Å; I318-K327 WeakPolarHBondContact O-CB 3.47Å; I318-K327 PolarHBondContact O-N 2.85Å; I318-F329 HydrophobicContact CB-CD2 4.07Å; I318-F329 HydrophobicContact CB-CE1 4.39Å; I318-F329 HydrophobicContact CB-CE2 3.73Å; I318-F329 HydrophobicContact CB-CZ 3.89Å; I318-F329 HydrophobicContact CG1-CD2 3.83Å; I318-F329 HydrophobicContact CG1-CE2 3.45Å; I318-F329 VanDerWaalsContact CG1-CE2 3.45Å; I318-F329 HydrophobicContact CG1-CZ 4.08Å; I318-F329 HydrophobicContact CG2-CE1 4.33Å; I318-F329 HydrophobicContact CG2-CE2 4.06Å; I318-F329 HydrophobicContact CG2-CZ 3.77Å; I318-F329 PolarHBondContact N-O 2.75Å; I318-F331 HydrophobicContact CD1-CD2 4.35Å; I318-F331 HydrophobicContact CD1-CE2 4.18Å; I318-F331 HydrophobicContact CG1-CD2 4.28Å; I318-F331 HydrophobicContact CG1-CE2 3.91Å |
| 319 | R | 89.9 | Confident | 86.7 | Confident | 81 Ų | 81 | 63.9 Ų | 63.9 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 155.4 | -178.8 | -62.2 | 170.7 | -170.2 | -95.9 | 4.3 | 110.6 | D298 E299 N324 K325 C326 | D298-R319 IonicContact OD1-CZ 2.97Å; D298-R319 IonicContact OD1-NH1 3.86Å; D298-R319 PolarHBondContact OD1-NH1 3.13Å; D298-R319 IonicContact OD1-NH2 2.8Å; D298-R319 PolarHBondContact OD1-NH2 2.84Å; E299-R319 IonicContact OE1-NE 3.2Å; E299-R319 IonicContact OE1-NH2 2.7Å; E299-R319 IonicContact OE2-CZ 2.68Å; E299-R319 IonicContact OE2-NE 3.69Å; E299-R319 IonicContact OE2-NH2 2.78Å; E299-R319 PolarHBondContact OE2-NH2 2.75Å; R319-N324 WeakPolarHBondContact CD-O 3.47Å; R319-K325 CarbonylContact C-O 3.49Å; R319-K325 WeakPolarHBondContact CA-O 3.23Å; R319-C326 PolarHBondContact NH1-SG 2.92Å |
| 320 | D | 84.1 | Confident | 86.8 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | trans | -78.8 | 134.8 | 170.8 | -161.4 | -87.5 | 0 | 0 | 0 | 110.5 | T322 N324 K325 K327 | D320-T322 PolarHBondContact O-N 3.3Å; D320-T322 VanDerWaalsContact OD1-CB 3.29Å; D320-T322 WeakPolarHBondContact OD1-CB 3.36Å; D320-T322 PolarHBondContact OD1-N 3.12Å; D320-T322 PolarHBondContact OD1-OG1 3.13Å; D320-N324 VanDerWaalsContact O-CA 3.23Å; D320-N324 WeakPolarHBondContact O-CA 3.41Å; D320-N324 PolarHBondContact O-N 2.97Å; D320-K325 PolarHBondContact N-O 2.98Å; D320-K327 HydrophobicContact CB-CD 4.21Å; D320-K327 HydrophobicContact CB-CG 4.11Å; D320-K327 IonicContact OD2-NZ 4Å; D320-K327 PolarHBondContact OD2-NZ 3.06Å | ||
| 321 | F | 79.9 | Confident | 87.1 | Confident | 196 Ų | 196 | 62.4 Ų | 62.4 | 86% | 0.86 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.8 | -178.2 | -174 | -102.1 | 0 | 0 | 0 | 112.5 | ||
| 322 | T | 80.6 | Confident | 87.3 | Confident | 123 Ų | 123 | 59.9 Ų | 59.9 | 76% | 0.755 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -36.2 | -174.4 | -24.4 | 0 | 0 | 0 | 0 | 112.5 | D320 | D320-T322 PolarHBondContact O-N 3.3Å; D320-T322 VanDerWaalsContact OD1-CB 3.29Å; D320-T322 WeakPolarHBondContact OD1-CB 3.36Å; D320-T322 PolarHBondContact OD1-N 3.12Å; D320-T322 PolarHBondContact OD1-OG1 3.13Å |
| 323 | T | 82.8 | Confident | 87.4 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -8.7 | -172.5 | 65.1 | 0 | 0 | 0 | 0 | 114.1 | K325 | T323-K325 PolarHBondContact O-N 2.97Š|
| 324 | N | 78.4 | Confident | 87.5 | Confident | 112 Ų | 112 | 57 Ų | 57 | 60% | 0.599 | 28% | 0.284 | S | S | * | . | trans | 55.1 | -0.9 | -170.9 | -80.6 | -91.4 | 0 | 0 | 0 | 116.3 | R319 D320 | R319-N324 WeakPolarHBondContact CD-O 3.47Å; D320-N324 VanDerWaalsContact O-CA 3.23Å; D320-N324 WeakPolarHBondContact O-CA 3.41Å; D320-N324 PolarHBondContact O-N 2.97Å | ||
| 325 | K | 83.5 | Confident | 87.6 | Confident | 98 Ų | 98 | 56.3 Ų | 56.3 | 43% | 0.426 | 28% | 0.283 | S | S | . | . | trans | -72.6 | 152.1 | 172.9 | -75.5 | -175.8 | 174.4 | -74.4 | 0 | 111.2 | P295 E296 R319 D320 T323 | P295-K325 HydrophobicContact CB-CB 4.38Å; P295-K325 WeakPolarHBondContact O-CB 3.43Å; E296-K325 IonicContact OE1-NZ 3.98Å; E296-K325 PolarHBondContact OE1-NZ 2.78Å; R319-K325 CarbonylContact C-O 3.49Å; R319-K325 WeakPolarHBondContact CA-O 3.23Å; D320-K325 PolarHBondContact N-O 2.98Å; T323-K325 PolarHBondContact O-N 2.97Å | ||
| 326 | C | 85.4 | Confident | 87.5 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 133.2 | -174.2 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | P295 A297 V317 R319 G328 | P295-C326 PolarHBondContact O-N 3.05Å; A297-C326 PolarHBondContact O-SG 2.87Å; V317-C326 HydrophobicContact CG1-CB 3.72Å; V317-C326 VanDerWaalsContact CG1-SG 3.58Å; R319-C326 PolarHBondContact NH1-SG 2.92Å; C326-G328 PolarHBondContact O-N 3.46Å |
| 327 | K | 85.9 | Confident | 87.5 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 47% | 0.47 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 21.7 | -178.6 | -54.4 | -165.7 | 71.3 | 137 | 0 | 113.3 | I318 D320 F329 | I318-K327 HydrophobicContact CG2-CD 4.18Å; I318-K327 HydrophobicContact CG2-CG 4.46Å; I318-K327 WeakPolarHBondContact O-CB 3.47Å; I318-K327 PolarHBondContact O-N 2.85Å; D320-K327 HydrophobicContact CB-CD 4.21Å; D320-K327 HydrophobicContact CB-CG 4.11Å; D320-K327 IonicContact OD2-NZ 4Å; D320-K327 PolarHBondContact OD2-NZ 3.06Å; K327-F329 VanDerWaalsContact C-N 3.33Å; K327-F329 HydrophobicContact CB-CD1 4.21Å; K327-F329 HydrophobicContact CB-CE1 3.98Å; K327-F329 WeakPolarHBondContact O-CD1 3.39Å; K327-F329 PolarHBondContact O-N 2.96Å |
| 328 | G | 87.7 | Confident | 87.4 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | 7.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y291 N292 L293 C326 | Y291-G328 CarbonylContact C-O 3.53Å; N292-G328 WeakPolarHBondContact CA-O 3.49Å; N292-G328 PolarHBondContact N-O 2.83Å; L293-G328 PolarHBondContact N-O 3.09Å; C326-G328 PolarHBondContact O-N 3.46Å |
| 329 | F | 92.1 | Very high | 87.6 | Confident | 57 Ų | 57 | 65 Ų | 65 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 159.8 | 179.4 | 71.8 | -88 | 0 | 0 | 0 | 115.2 | F289 V290 Y291 I318 K327 F331 | F289-F329 HydrophobicContact CE2-CB 3.95Å; F289-F329 AromaticContact CE2-CD2 3.74Å; F289-F329 HydrophobicContact CE2-CD2 3.74Å; F289-F329 HydrophobicContact CE2-CG 4.12Å; F289-F329 HydrophobicContact CZ-CB 4.29Å; V290-F329 CarbonylContact O-C 3.58Å; V290-F329 WeakPolarHBondContact O-CA 3.5Å; V290-F329 WeakPolarHBondContact O-CB 3.45Å; Y291-F329 HydrophobicContact CD2-CB 3.76Å; Y291-F329 HydrophobicContact CE2-CB 4.46Å; I318-F329 HydrophobicContact CB-CD2 4.07Å; I318-F329 HydrophobicContact CB-CE1 4.39Å; I318-F329 HydrophobicContact CB-CE2 3.73Å; I318-F329 HydrophobicContact CB-CZ 3.89Å; I318-F329 HydrophobicContact CG1-CD2 3.83Å; I318-F329 HydrophobicContact CG1-CE2 3.45Å; I318-F329 VanDerWaalsContact CG1-CE2 3.45Å; I318-F329 HydrophobicContact CG1-CZ 4.08Å; I318-F329 HydrophobicContact CG2-CE1 4.33Å; I318-F329 HydrophobicContact CG2-CE2 4.06Å; I318-F329 HydrophobicContact CG2-CZ 3.77Å; I318-F329 PolarHBondContact N-O 2.75Å; K327-F329 VanDerWaalsContact C-N 3.33Å; K327-F329 HydrophobicContact CB-CD1 4.21Å; K327-F329 HydrophobicContact CB-CE1 3.98Å; K327-F329 WeakPolarHBondContact O-CD1 3.39Å; K327-F329 PolarHBondContact O-N 2.96Å; F329-F331 HydrophobicContact CD2-CE2 4.24Å; F329-F331 HydrophobicContact CD2-CZ 4.4Å; F329-F331 HydrophobicContact CE2-CE2 4.14Å; F329-F331 HydrophobicContact CE2-CZ 4.32Å |
| 330 | G | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | -179.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V290 K316 | V290-G330 PolarHBondContact N-O 3.34Å; V290-G330 PolarHBondContact O-N 2.83Å; K316-G330 CarbonylContact O-C 3.56Å; K316-G330 WeakPolarHBondContact O-CA 3.37Å |
| 331 | F | 93.9 | Very high | 87.9 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.7 | 179 | -58.1 | -83.4 | 0 | 0 | 0 | 110.1 | I288 F289 V315 K316 I318 F329 K362 | I288-F331 WeakPolarHBondContact O-CA 3.5Å; F289-F331 HydrophobicContact CB-CD1 4.49Å; F289-F331 HydrophobicContact CB-CE1 4.46Å; F289-F331 HydrophobicContact CD2-CD1 4.06Å; F289-F331 AromaticContact CD2-CE1 3.55Å; F289-F331 HydrophobicContact CD2-CE1 3.55Å; F289-F331 HydrophobicContact CD2-CZ 4.04Å; F289-F331 HydrophobicContact CE2-CE1 4.25Å; F289-F331 HydrophobicContact CE2-CZ 4.31Å; F289-F331 HydrophobicContact CG-CE1 4.41Å; V315-F331 WeakPolarHBondContact CA-O 3.23Å; K316-F331 PolarHBondContact N-O 3.4Å; K316-F331 PolarHBondContact O-N 3.13Å; I318-F331 HydrophobicContact CD1-CD2 4.35Å; I318-F331 HydrophobicContact CD1-CE2 4.18Å; I318-F331 HydrophobicContact CG1-CD2 4.28Å; I318-F331 HydrophobicContact CG1-CE2 3.91Å; F329-F331 HydrophobicContact CD2-CE2 4.24Å; F329-F331 HydrophobicContact CD2-CZ 4.4Å; F329-F331 HydrophobicContact CE2-CE2 4.14Å; F329-F331 HydrophobicContact CE2-CZ 4.32Å; F331-K362 HydrophobicContact CD1-CD 3.9Å; F331-K362 HydrophobicContact CD1-CG 4.45Å; F331-K362 HydrophobicContact CE1-CD 3.88Å; F331-K362 HydrophobicContact CE1-CG 4.21Å |
| 332 | V | 93.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 141.7 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | C287 I288 V290 L302 F306 V312 N314 V315 M334 | C287-V332 CarbonylContact C-O 3.49Å; C287-V332 WeakPolarHBondContact CA-O 3.37Å; I288-V332 HydrophobicContact CB-CB 4.42Å; I288-V332 PolarHBondContact N-O 2.98Å; I288-V332 PolarHBondContact O-N 3.39Å; V290-V332 HydrophobicContact CG2-CG2 4.12Å; L302-V332 HydrophobicContact CB-CG2 4.07Å; L302-V332 HydrophobicContact CD1-CG2 4.12Å; L302-V332 HydrophobicContact CD2-CG2 4.3Å; L302-V332 HydrophobicContact CG-CG2 4.41Å; F306-V332 HydrophobicContact CB-CG1 4.03Å; F306-V332 HydrophobicContact CD1-CB 4.42Å; F306-V332 HydrophobicContact CD1-CG1 3.96Å; F306-V332 HydrophobicContact CD2-CG1 4.32Å; F306-V332 HydrophobicContact CD2-CG2 3.9Å; F306-V332 HydrophobicContact CE2-CG2 3.93Å; F306-V332 HydrophobicContact CG-CB 4.42Å; F306-V332 HydrophobicContact CG-CG1 3.84Å; F306-V332 HydrophobicContact CG-CG2 4.26Å; F306-V332 HydrophobicContact CZ-CG2 4.32Å; V312-V332 HydrophobicContact CG1-CG1 3.76Å; V312-V332 HydrophobicContact CG2-CG1 4.11Å; N314-V332 CarbonylContact O-C 3.52Å; N314-V332 WeakPolarHBondContact O-CA 3.44Å; V315-V332 HydrophobicContact CG2-CG1 4.4Å; V315-V332 HydrophobicContact CG2-CG2 4.42Å; V332-M334 HydrophobicContact CG1-CG 4.33Å |
| 333 | T | 90.9 | Very high | 89.1 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 114.7 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 109.4 | G285 W286 T313 N314 | G285-T333 WeakPolarHBondContact O-CG2 3.29Å; W286-T333 WeakPolarHBondContact O-CA 3.47Å; T313-T333 PolarHBondContact N-O 2.84Å; T313-T333 WeakPolarHBondContact OG1-CG2 3.42Å; T313-T333 PolarHBondContact OG1-O 2.81Å; N314-T333 PolarHBondContact N-O 3.44Å; N314-T333 PolarHBondContact O-N 3.38Å |
| 334 | M | 89.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 156.9 | -177 | -62.7 | -176.8 | 74.8 | 0 | 0 | 111.7 | G285 W286 I288 F306 F309 G310 A311 V312 V332 E339 A340 A343 | G285-M334 CarbonylContact C-O 3.56Å; G285-M334 VanDerWaalsContact CA-O 3.3Å; G285-M334 WeakPolarHBondContact CA-O 3.07Å; W286-M334 PolarHBondContact N-O 3.47Å; W286-M334 PolarHBondContact O-N 3.03Å; I288-M334 HydrophobicContact CD1-CG 4.12Å; I288-M334 HydrophobicContact CD1-SD 3.61Å; F306-M334 HydrophobicContact CD1-SD 4Å; F309-M334 HydrophobicContact CB-CE 4.1Å; G310-M334 VanDerWaalsContact CA-CE 3.5Å; A311-M334 WeakPolarHBondContact O-CA 3.49Å; V312-M334 HydrophobicContact CG2-CG 4.2Å; V332-M334 HydrophobicContact CG1-CG 4.33Å; M334-E339 HydrophobicContact CE-CB 3.89Å; M334-A340 HydrophobicContact CB-CB 4.26Å; M334-A340 HydrophobicContact SD-CB 4.18Å; M334-A343 HydrophobicContact CE-CB 4.48Å; M334-A343 HydrophobicContact SD-CB 3.94Å |
| 335 | T | 88.1 | Confident | 90.2 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -66.1 | -46.1 | 177.9 | 44.3 | 0 | 0 | 0 | 0 | 112.7 | A311 T313 E339 | A311-T335 HydrophobicContact CB-CG2 3.98Å; A311-T335 PolarHBondContact O-N 3.24Å; A311-T335 PolarHBondContact O-OG1 2.99Å; T313-T335 HydrophobicContact CG2-CG2 3.48Å; T313-T335 VanDerWaalsContact CG2-CG2 3.48Å; T335-E339 PolarHBondContact OG1-OE2 2.96Å |
| 336 | N | 89.8 | Confident | 90.5 | Very high | 75 Ų | 75 | 44.4 Ų | 44.4 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | trans | -113.8 | 150.1 | -165.8 | -57.3 | -42.5 | 0 | 0 | 0 | 111.6 | E339 A340 | N336-E339 HydrophobicContact CB-CB 4.15Å; N336-E339 HydrophobicContact CB-CG 3.9Å; N336-E339 PolarHBondContact ND2-OE1 3.46Å; N336-E339 PolarHBondContact ND2-OE2 3.4Å; N336-A340 WeakPolarHBondContact O-CB 3.47Å; N336-A340 PolarHBondContact O-N 3.07Å | ||
| 337 | Y | 88.8 | Confident | 90.9 | Very high | 84 Ų | 84 | 44.3 Ų | 44.3 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.1 | -47.6 | -175.9 | 176.8 | -105.9 | 0 | 0 | 0 | 111.6 | W286 A340 A341 F361 | W286-Y337 AromaticContact CD2-CD2 3.79Å; W286-Y337 HydrophobicContact CD2-CD2 3.79Å; W286-Y337 HydrophobicContact CD2-CG 4.45Å; W286-Y337 AromaticContact CE3-CD2 3.61Å; W286-Y337 HydrophobicContact CE3-CD2 3.61Å; W286-Y337 HydrophobicContact CE3-CE2 4.28Å; W286-Y337 AromaticContact CH2-CD2 3.92Å; W286-Y337 HydrophobicContact CH2-CD2 3.92Å; W286-Y337 HydrophobicContact CH2-CG 4.5Å; W286-Y337 HydrophobicContact CZ2-CD2 4.11Å; W286-Y337 HydrophobicContact CZ2-CG 4.35Å; W286-Y337 AromaticContact CZ3-CD2 3.68Å; W286-Y337 HydrophobicContact CZ3-CD2 3.68Å; W286-Y337 HydrophobicContact CZ3-CE2 4.17Å; Y337-A340 CarbonylContact O-C 3.56Å; Y337-A340 WeakPolarHBondContact O-CA 3.44Å; Y337-A340 WeakPolarHBondContact O-CB 3.15Å; Y337-A340 PolarHBondContact O-N 3.27Å; Y337-A340 VanDerWaalsContact O-N 3.11Å; Y337-A341 PolarHBondContact O-N 2.99Å; Y337-F361 HydrophobicContact CD2-CE1 4.22Å; Y337-F361 AromaticContact CD2-CZ 3.82Å; Y337-F361 HydrophobicContact CD2-CZ 3.82Å; Y337-F361 HydrophobicContact CE2-CE1 4.08Å; Y337-F361 AromaticContact CE2-CE2 3.75Å; Y337-F361 HydrophobicContact CE2-CE2 3.75Å; Y337-F361 AromaticContact CE2-CZ 3.4Å; Y337-F361 HydrophobicContact CE2-CZ 3.4Å; Y337-F361 VanDerWaalsContact CE2-CZ 3.4Å |
| 338 | D | 90.1 | Very high | 91.2 | Very high | 110 Ų | 110 | 43.4 Ų | 43.4 | 59% | 0.588 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.3 | -38.5 | -173.4 | -49.5 | -91.3 | 0 | 0 | 0 | 111.2 | A340 A341 M342 | D338-A340 VanDerWaalsContact C-N 3.35Å; D338-A340 PolarHBondContact O-N 3.42Å; D338-A341 PolarHBondContact O-N 3.39Å; D338-M342 WeakPolarHBondContact O-CB 3.24Å; D338-M342 WeakPolarHBondContact O-CG 3.38Å; D338-M342 PolarHBondContact O-N 2.99Å |
| 339 | E | 91.5 | Very high | 91.2 | Very high | 47 Ų | 47 | 45 Ų | 45 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -47 | 167.7 | -68 | 177 | -170.5 | 0 | 0 | 111.6 | F309 G310 A311 M334 T335 N336 M342 A343 | F309-E339 VanDerWaalsContact O-CB 3.28Å; F309-E339 WeakPolarHBondContact O-CB 3.4Å; F309-E339 WeakPolarHBondContact O-CG 3.39Å; G310-E339 VanDerWaalsContact CA-CD 3.46Å; G310-E339 WeakPolarHBondContact CA-OE2 3.47Å; A311-E339 PolarHBondContact N-OE2 3.47Å; A311-E339 VanDerWaalsContact N-OE2 3.1Å; M334-E339 HydrophobicContact CE-CB 3.89Å; T335-E339 PolarHBondContact OG1-OE2 2.96Å; N336-E339 HydrophobicContact CB-CB 4.15Å; N336-E339 HydrophobicContact CB-CG 3.9Å; N336-E339 PolarHBondContact ND2-OE1 3.46Å; N336-E339 PolarHBondContact ND2-OE2 3.4Å; E339-M342 PolarHBondContact O-N 3.4Å; E339-A343 WeakPolarHBondContact O-CB 3.19Å; E339-A343 PolarHBondContact O-N 2.96Å |
| 340 | A | 90.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W286 I288 M334 N336 Y337 D338 A343 I344 F361 | W286-A340 HydrophobicContact CB-CB 3.98Å; I288-A340 HydrophobicContact CD1-CB 3.85Å; I288-A340 HydrophobicContact CG1-CB 4.24Å; M334-A340 HydrophobicContact CB-CB 4.26Å; M334-A340 HydrophobicContact SD-CB 4.18Å; N336-A340 WeakPolarHBondContact O-CB 3.47Å; N336-A340 PolarHBondContact O-N 3.07Å; Y337-A340 CarbonylContact O-C 3.56Å; Y337-A340 WeakPolarHBondContact O-CA 3.44Å; Y337-A340 WeakPolarHBondContact O-CB 3.15Å; Y337-A340 PolarHBondContact O-N 3.27Å; Y337-A340 VanDerWaalsContact O-N 3.11Å; D338-A340 VanDerWaalsContact C-N 3.35Å; D338-A340 PolarHBondContact O-N 3.42Å; A340-A343 PolarHBondContact O-N 2.84Å; A340-I344 WeakPolarHBondContact O-CB 3.49Å; A340-I344 WeakPolarHBondContact O-CD1 3.49Å; A340-I344 VanDerWaalsContact O-CG1 3.24Å; A340-I344 WeakPolarHBondContact O-CG1 3.35Å; A340-I344 PolarHBondContact O-N 3.37Å; A340-F361 HydrophobicContact CB-CE1 3.75Å; A340-F361 HydrophobicContact CB-CZ 4.14Å |
| 341 | A | 90.9 | Very high | 91.1 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 26% | 0.256 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y337 D338 I344 A345 F361 | Y337-A341 PolarHBondContact O-N 2.99Å; D338-A341 PolarHBondContact O-N 3.39Å; A341-I344 PolarHBondContact O-N 3.5Å; A341-A345 WeakPolarHBondContact O-CB 3.35Å; A341-A345 PolarHBondContact O-N 2.95Å; A341-F361 HydrophobicContact CB-CE2 4.46Å; A341-F361 HydrophobicContact CB-CZ 4.22Å |
| 342 | M | 92 | Very high | 90.7 | Very high | 107 Ų | 107 | 55.2 Ų | 55.2 | 53% | 0.527 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 174.1 | -72 | -172.9 | -65.9 | 0 | 0 | 112.2 | F309 D338 E339 A345 S346 | F309-M342 HydrophobicContact CD1-CB 4.44Å; D338-M342 WeakPolarHBondContact O-CB 3.24Å; D338-M342 WeakPolarHBondContact O-CG 3.38Å; D338-M342 PolarHBondContact O-N 2.99Å; E339-M342 PolarHBondContact O-N 3.4Å; M342-A345 PolarHBondContact O-N 3.44Å; M342-S346 VanDerWaalsContact O-CB 3.28Å; M342-S346 WeakPolarHBondContact O-CB 3.28Å; M342-S346 PolarHBondContact O-N 2.84Å; M342-S346 PolarHBondContact O-OG 2.81Å |
| 343 | A | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I288 F306 F309 M334 E339 A340 S346 L347 | I288-A343 HydrophobicContact CD1-CB 4.43Å; F306-A343 HydrophobicContact CD1-CB 3.77Å; F306-A343 HydrophobicContact CE1-CB 3.93Å; F309-A343 HydrophobicContact CB-CB 3.71Å; F309-A343 HydrophobicContact CD1-CB 4.31Å; F309-A343 HydrophobicContact CD2-CB 4.13Å; F309-A343 HydrophobicContact CG-CB 3.79Å; M334-A343 HydrophobicContact CE-CB 4.48Å; M334-A343 HydrophobicContact SD-CB 3.94Å; E339-A343 WeakPolarHBondContact O-CB 3.19Å; E339-A343 PolarHBondContact O-N 2.96Å; A340-A343 PolarHBondContact O-N 2.84Å; A343-S346 PolarHBondContact O-N 3.1Å; A343-L347 HydrophobicContact CB-CD1 4.48Å; A343-L347 WeakPolarHBondContact O-CB 3.31Å; A343-L347 WeakPolarHBondContact O-CG 3.43Å; A343-L347 PolarHBondContact O-N 2.77Å |
| 344 | I | 93.5 | Very high | 90 | Very high | 24 Ų | 24 | 64.7 Ų | 64.7 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59 | -50.6 | 174.2 | -74.3 | 160 | 0 | 0 | 0 | 110.8 | I288 A340 A341 S346 L347 N348 V359 F361 | I288-I344 HydrophobicContact CD1-CG1 4.31Å; I288-I344 HydrophobicContact CG1-CD1 4.24Å; I288-I344 HydrophobicContact CG1-CG1 4.4Å; I288-I344 HydrophobicContact CG2-CD1 4.31Å; I288-I344 HydrophobicContact CG2-CG1 3.88Å; A340-I344 WeakPolarHBondContact O-CB 3.49Å; A340-I344 WeakPolarHBondContact O-CD1 3.49Å; A340-I344 VanDerWaalsContact O-CG1 3.24Å; A340-I344 WeakPolarHBondContact O-CG1 3.35Å; A340-I344 PolarHBondContact O-N 3.37Å; A341-I344 PolarHBondContact O-N 3.5Å; I344-S346 PolarHBondContact O-N 3.27Å; I344-L347 PolarHBondContact O-N 3.3Å; I344-N348 WeakPolarHBondContact O-CB 3.34Å; I344-N348 PolarHBondContact O-N 3.28Å; I344-V359 HydrophobicContact CB-CG1 4.48Å; I344-V359 HydrophobicContact CG1-CG1 3.97Å; I344-F361 HydrophobicContact CD1-CB 4.37Å; I344-F361 HydrophobicContact CD1-CD1 3.61Å; I344-F361 HydrophobicContact CD1-CD2 3.51Å; I344-F361 HydrophobicContact CD1-CE1 3.64Å; I344-F361 HydrophobicContact CD1-CE2 3.54Å; I344-F361 HydrophobicContact CD1-CG 3.54Å; I344-F361 HydrophobicContact CD1-CZ 3.6Å |
| 345 | A | 91.6 | Very high | 89.9 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 66% | 0.661 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.3 | -29.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A341 M342 | A341-A345 WeakPolarHBondContact O-CB 3.35Å; A341-A345 PolarHBondContact O-N 2.95Å; M342-A345 PolarHBondContact O-N 3.44Å |
| 346 | S | 90.9 | Very high | 90.1 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 47% | 0.469 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -96.4 | -25.2 | -175.7 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | F309 M342 A343 I344 | F309-S346 WeakPolarHBondContact CE1-OG 3.46Å; F309-S346 VanDerWaalsContact CZ-CB 3.46Å; M342-S346 VanDerWaalsContact O-CB 3.28Å; M342-S346 WeakPolarHBondContact O-CB 3.28Å; M342-S346 PolarHBondContact O-N 2.84Å; M342-S346 PolarHBondContact O-OG 2.81Å; A343-S346 PolarHBondContact O-N 3.1Å; I344-S346 PolarHBondContact O-N 3.27Å |
| 347 | L | 92.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.037 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -104.5 | -17.1 | -177.5 | -61.4 | 173.1 | 0 | 0 | 0 | 113.6 | L305 F306 F309 A343 I344 G349 Y350 V359 | L305-L347 HydrophobicContact CB-CD1 4.31Å; L305-L347 HydrophobicContact CB-CD2 4.45Å; L305-L347 HydrophobicContact CD2-CD2 4.21Å; F306-L347 HydrophobicContact CD1-CD1 3.84Å; F306-L347 HydrophobicContact CD2-CD1 3.77Å; F306-L347 HydrophobicContact CE1-CD1 3.66Å; F306-L347 HydrophobicContact CE2-CD1 3.61Å; F306-L347 HydrophobicContact CG-CD1 3.89Å; F306-L347 HydrophobicContact CZ-CD1 3.55Å; F309-L347 HydrophobicContact CD2-CD1 4.16Å; F309-L347 HydrophobicContact CE2-CD1 3.87Å; F309-L347 HydrophobicContact CE2-CD2 4.01Å; F309-L347 HydrophobicContact CE2-CG 3.88Å; F309-L347 HydrophobicContact CZ-CD2 4.42Å; F309-L347 HydrophobicContact CZ-CG 4.28Å; A343-L347 HydrophobicContact CB-CD1 4.48Å; A343-L347 WeakPolarHBondContact O-CB 3.31Å; A343-L347 WeakPolarHBondContact O-CG 3.43Å; A343-L347 PolarHBondContact O-N 2.77Å; I344-L347 PolarHBondContact O-N 3.3Å; L347-G349 PolarHBondContact O-N 3.05Å; L347-Y350 HydrophobicContact CD2-CD2 4.33Å; L347-Y350 HydrophobicContact CD2-CG 4.29Å; L347-Y350 WeakPolarHBondContact O-CB 3.33Å; L347-Y350 PolarHBondContact O-N 3.49Å; L347-V359 HydrophobicContact CB-CG2 3.96Å; L347-V359 WeakPolarHBondContact O-CG2 3.37Å |
| 348 | N | 91.6 | Very high | 90.4 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 114.8 | 171.6 | -170.8 | 38.8 | 0 | 0 | 0 | 109.9 | I344 Q358 V359 | I344-N348 WeakPolarHBondContact O-CB 3.34Å; I344-N348 PolarHBondContact O-N 3.28Å; N348-Q358 WeakPolarHBondContact OD1-CA 3.35Å; N348-V359 HydrophobicContact CB-CB 4Å; N348-V359 WeakPolarHBondContact CB-O 3.09Å; N348-V359 PolarHBondContact OD1-N 3.38Å; N348-V359 PolarHBondContact OD1-O 3.47Å |
| 349 | G | 89.3 | Confident | 90.6 | Very high | 44 Ų | 44 | 61.8 Ų | 61.8 | 45% | 0.454 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -1.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L347 L357 | L347-G349 PolarHBondContact O-N 3.05Å; G349-L357 WeakPolarHBondContact CA-O 3.39Å; G349-L357 PolarHBondContact N-O 2.83Å |
| 350 | Y | 91.4 | Very high | 90.6 | Very high | 106 Ų | 106 | 62.1 Ų | 62.1 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | trans | -66.4 | 138.2 | 178.4 | -176.5 | -92.1 | 0 | 0 | 0 | 112 | L305 L347 L352 L357 | L305-Y350 HydrophobicContact CD2-CD1 4.18Å; L305-Y350 HydrophobicContact CD2-CE1 3.67Å; L347-Y350 HydrophobicContact CD2-CD2 4.33Å; L347-Y350 HydrophobicContact CD2-CG 4.29Å; L347-Y350 WeakPolarHBondContact O-CB 3.33Å; L347-Y350 PolarHBondContact O-N 3.49Å; Y350-L352 HydrophobicContact CD1-CB 4.44Å; Y350-L352 HydrophobicContact CE1-CB 4.48Å; Y350-L357 HydrophobicContact CD1-CD1 4.13Å; Y350-L357 PolarHBondContact O-N 3.29Å | ||
| 351 | R | 90.2 | Very high | 90.7 | Very high | 170 Ų | 170 | 65.2 Ų | 65.2 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 110 | 178.5 | -75.2 | 179.3 | 176.5 | -88.7 | 2.2 | 111.3 | R355 V356 | R351-R355 CarbonylContact C-O 3.57Å; R351-R355 WeakPolarHBondContact CA-O 3.28Å; R351-V356 HydrophobicContact CG-CG2 4.01Å |
| 352 | L | 85.1 | Confident | 90.5 | Very high | 38 Ų | 38 | 68.9 Ų | 68.9 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 89.8 | 173.8 | -175.6 | 66.8 | 0 | 0 | 0 | 109.1 | L293 A297 V301 L305 Y350 R355 L357 | L293-L352 HydrophobicContact CD2-CD2 4.2Å; A297-L352 HydrophobicContact CB-CD2 4.35Å; V301-L352 HydrophobicContact CG1-CD1 3.83Å; V301-L352 HydrophobicContact CG1-CD2 3.88Å; L305-L352 HydrophobicContact CD1-CD1 4.48Å; Y350-L352 HydrophobicContact CD1-CB 4.44Å; Y350-L352 HydrophobicContact CE1-CB 4.48Å; L352-R355 PolarHBondContact N-O 3.11Å; L352-R355 PolarHBondContact O-N 2.93Å; L352-L357 HydrophobicContact CB-CD1 4.1Å; L352-L357 HydrophobicContact CB-CD2 4.02Å; L352-L357 HydrophobicContact CB-CG 3.99Å; L352-L357 HydrophobicContact CD2-CD1 4.31Å; L352-L357 HydrophobicContact CD2-CD2 4.12Å |
| 353 | G | 83.7 | Confident | 89.7 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 71% | 0.711 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -135 | -165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R355 | G353-R355 PolarHBondContact O-N 3.46Š|
| 354 | D | 85.8 | Confident | 87.8 | Confident | 154 Ų | 154 | 74.7 Ų | 74.7 | 82% | 0.824 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.3 | 177.9 | -169.4 | -119.7 | 0 | 0 | 0 | 113.4 | ||
| 355 | R | 87.4 | Confident | 85.6 | Confident | 97 Ų | 97 | 82.9 Ų | 82.9 | 37% | 0.366 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.4 | -173.1 | -67.9 | -178.8 | -177.8 | -105.6 | -0.9 | 113.1 | N292 L293 R351 L352 G353 | N292-R355 WeakPolarHBondContact O-CB 3.48Å; N292-R355 WeakPolarHBondContact O-CD 3.06Å; N292-R355 PolarHBondContact OD1-NH1 2.89Å; L293-R355 WeakPolarHBondContact O-CD 3.45Å; R351-R355 CarbonylContact C-O 3.57Å; R351-R355 WeakPolarHBondContact CA-O 3.28Å; L352-R355 PolarHBondContact N-O 3.11Å; L352-R355 PolarHBondContact O-N 2.93Å; G353-R355 PolarHBondContact O-N 3.46Å |
| 356 | V | 92.1 | Very high | 83.2 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 32% | 0.321 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 116.9 | 167.8 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | N292 R351 | N292-V356 WeakPolarHBondContact CB-O 3.34Å; N292-V356 PolarHBondContact ND2-O 2.89Å; R351-V356 HydrophobicContact CG-CG2 4.01Å |
| 357 | L | 93.4 | Very high | 80.5 | Confident | 1 Ų | 1 | 93.4 Ų | 93.4 | 1% | 0.005 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 142.1 | 177.2 | -59.5 | -174.1 | 0 | 0 | 0 | 111.1 | L293 L305 G349 Y350 L352 V359 | L293-L357 HydrophobicContact CD2-CD2 3.79Å; L293-L357 HydrophobicContact CG-CD2 4.47Å; L305-L357 HydrophobicContact CD1-CD1 3.98Å; G349-L357 WeakPolarHBondContact CA-O 3.39Å; G349-L357 PolarHBondContact N-O 2.83Å; Y350-L357 HydrophobicContact CD1-CD1 4.13Å; Y350-L357 PolarHBondContact O-N 3.29Å; L352-L357 HydrophobicContact CB-CD1 4.1Å; L352-L357 HydrophobicContact CB-CD2 4.02Å; L352-L357 HydrophobicContact CB-CG 3.99Å; L352-L357 HydrophobicContact CD2-CD1 4.31Å; L352-L357 HydrophobicContact CD2-CD2 4.12Å; L357-V359 HydrophobicContact CB-CG2 4.28Å |
| 358 | Q | 92.6 | Very high | 77.6 | Confident | 111 Ų | 111 | 102.6 Ų | 102.6 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.7 | 167.3 | -70.9 | 178.6 | -15.2 | 0 | 0 | 108.5 | V290 Y291 N348 | V290-Q358 WeakPolarHBondContact CA-O 3.2Å; Y291-Q358 PolarHBondContact N-O 2.9Å; Y291-Q358 PolarHBondContact O-N 2.88Å; N348-Q358 WeakPolarHBondContact OD1-CA 3.35Å |
| 359 | V | 94.2 | Very high | 74.8 | Confident | 2 Ų | 2 | 106 Ų | 106 | 1% | 0.012 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.3 | -172 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | I288 F289 V290 F306 I344 L347 N348 L357 | I288-V359 HydrophobicContact CG2-CG1 3.46Å; I288-V359 VanDerWaalsContact CG2-CG1 3.46Å; F289-V359 WeakPolarHBondContact O-CA 3.49Å; V290-V359 HydrophobicContact CG1-CG2 4.27Å; V290-V359 HydrophobicContact CG2-CG1 4.41Å; F306-V359 HydrophobicContact CE1-CG1 4.15Å; F306-V359 HydrophobicContact CZ-CG1 3.78Å; I344-V359 HydrophobicContact CB-CG1 4.48Å; I344-V359 HydrophobicContact CG1-CG1 3.97Å; L347-V359 HydrophobicContact CB-CG2 3.96Å; L347-V359 WeakPolarHBondContact O-CG2 3.37Å; N348-V359 HydrophobicContact CB-CB 4Å; N348-V359 WeakPolarHBondContact CB-O 3.09Å; N348-V359 PolarHBondContact OD1-N 3.38Å; N348-V359 PolarHBondContact OD1-O 3.47Å; L357-V359 HydrophobicContact CB-CG2 4.28Å |
| 360 | S | 91.6 | Very high | 74.1 | Confident | 54 Ų | 54 | 109.2 Ų | 109.2 | 38% | 0.378 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -157.5 | 163.1 | -177.1 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | I288 F289 K362 | I288-S360 CarbonylContact C-O 3.59Å; I288-S360 WeakPolarHBondContact CA-O 3.35Å; I288-S360 WeakPolarHBondContact CG2-O 3.44Å; F289-S360 PolarHBondContact N-O 3.23Å; F289-S360 PolarHBondContact O-N 3.04Å; F289-S360 VanDerWaalsContact O-N 3.09Å; S360-K362 PolarHBondContact O-N 3.03Å |
| 361 | F | 92.4 | Very high | 73.1 | Confident | 66 Ų | 66 | 109.3 Ų | 109.3 | 29% | 0.289 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.6 | 135 | 169.6 | -74.8 | -66.2 | 0 | 0 | 0 | 110.5 | W286 Y337 A340 A341 I344 T363 | W286-F361 HydrophobicContact CB-CE1 4.35Å; Y337-F361 HydrophobicContact CD2-CE1 4.22Å; Y337-F361 AromaticContact CD2-CZ 3.82Å; Y337-F361 HydrophobicContact CD2-CZ 3.82Å; Y337-F361 HydrophobicContact CE2-CE1 4.08Å; Y337-F361 AromaticContact CE2-CE2 3.75Å; Y337-F361 HydrophobicContact CE2-CE2 3.75Å; Y337-F361 AromaticContact CE2-CZ 3.4Å; Y337-F361 HydrophobicContact CE2-CZ 3.4Å; Y337-F361 VanDerWaalsContact CE2-CZ 3.4Å; A340-F361 HydrophobicContact CB-CE1 3.75Å; A340-F361 HydrophobicContact CB-CZ 4.14Å; A341-F361 HydrophobicContact CB-CE2 4.46Å; A341-F361 HydrophobicContact CB-CZ 4.22Å; I344-F361 HydrophobicContact CD1-CB 4.37Å; I344-F361 HydrophobicContact CD1-CD1 3.61Å; I344-F361 HydrophobicContact CD1-CD2 3.51Å; I344-F361 HydrophobicContact CD1-CE1 3.64Å; I344-F361 HydrophobicContact CD1-CE2 3.54Å; I344-F361 HydrophobicContact CD1-CG 3.54Å; I344-F361 HydrophobicContact CD1-CZ 3.6Å; F361-T363 PolarHBondContact O-N 3.42Å |
| 362 | K | 85.3 | Confident | 72.2 | Confident | 107 Ų | 107 | 105.9 Ų | 105.9 | 47% | 0.465 | 58% | 0.575 | S | S | . | * | trans | -65.6 | 107.8 | 178.3 | 178.5 | -175.5 | 175 | 179.7 | 0 | 110 | C287 F289 F331 S360 S364 | C287-K362 HydrophobicContact CB-CB 4.15Å; C287-K362 HydrophobicContact CB-CD 4.06Å; C287-K362 VanDerWaalsContact O-CB 3.23Å; C287-K362 WeakPolarHBondContact O-CB 3.41Å; C287-K362 PolarHBondContact O-N 2.81Å; C287-K362 WeakPolarHBondContact SG-CD 3.47Å; F289-K362 HydrophobicContact CB-CB 4.43Å; F331-K362 HydrophobicContact CD1-CD 3.9Å; F331-K362 HydrophobicContact CD1-CG 4.45Å; F331-K362 HydrophobicContact CE1-CD 3.88Å; F331-K362 HydrophobicContact CE1-CG 4.21Å; S360-K362 PolarHBondContact O-N 3.03Å; K362-S364 PolarHBondContact O-N 2.9Å; K362-S364 VanDerWaalsContact O-N 3.17Å | ||
| 363 | T | 77 | Confident | 71.4 | Confident | 127 Ų | 127 | 109.9 Ų | 109.9 | 78% | 0.779 | 60% | 0.598 | S | S | * | * | trans | -64.9 | 116 | 172.1 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | F361 K365 | F361-T363 PolarHBondContact O-N 3.42Å; T363-K365 PolarHBondContact O-N 3.49Å | ||
| 364 | S | 53 | Low | 70.7 | Confident | 103 Ų | 103 | 112.5 Ų | 112.5 | 72% | 0.72 | 59% | 0.59 | S | S | * | * | trans | -74.1 | 111.7 | 169.9 | -169.7 | 0 | 0 | 0 | 0 | 108.3 | K362 Q366 | K362-S364 PolarHBondContact O-N 2.9Å; K362-S364 VanDerWaalsContact O-N 3.17Å; S364-Q366 VanDerWaalsContact C-N 3.27Å; S364-Q366 PolarHBondContact O-N 2.97Å | ||
| 365 | K | 46.3 | Very low | 69.7 | Low | 196 Ų | 196 | 109.7 Ų | 109.7 | 85% | 0.852 | 58% | 0.575 | S | S | * | * | trans | -66.5 | 92.6 | 165.2 | -74 | -170.1 | 177.3 | -174.7 | 0 | 108 | T363 H367 | T363-K365 PolarHBondContact O-N 3.49Å; K365-H367 PolarHBondContact O-N 2.88Å | ||
| 366 | Q | 41 | Very low | 68.4 | Low | 179 Ų | 179 | 110.6 Ų | 110.6 | 84% | 0.836 | 59% | 0.59 | S | S | * | * | trans | -53.4 | 125.1 | 157.6 | -70.6 | -174.6 | -4.8 | 0 | 0 | 106.8 | S364 K368 | S364-Q366 VanDerWaalsContact C-N 3.27Å; S364-Q366 PolarHBondContact O-N 2.97Å; Q366-K368 PolarHBondContact O-N 3.24Å | ||
| 367 | H | 34.2 | Very low | 66.6 | Low | 189 Ų | 189 | 115.1 Ų | 115.1 | 88% | 0.875 | 61% | 0.61 | S | S | * | * | trans | -65.2 | 110.6 | 174.9 | -128.8 | -89.5 | 0 | 0 | 0 | 106.5 | K365 A369 | K365-H367 PolarHBondContact O-N 2.88Å; H367-A369 PolarHBondContact O-N 3.38Å | ||
| 368 | K | 33.2 | Very low | 64.3 | Low | 199 Ų | 199 | 124.6 Ų | 124.6 | 87% | 0.865 | 66% | 0.661 | S | S | * | * | trans | -64.2 | 122.3 | 169.6 | -165.2 | 178.1 | -178.9 | -175 | 0 | 106.3 | Q366 | Q366-K368 PolarHBondContact O-N 3.24Š| ||
| 369 | A | 31.5 | Very low | 61.8 | Low | 162 Ų | 162 | 125.8 Ų | 125.8 | 100% | 1.339 | 67% | 0.674 | S | S | * | * | trans | -67.9 | 0 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | H367 | H367-A369 PolarHBondContact O-N 3.38Š|
Retrieved 369 of 369 residues in 537.4 ms
(Link to these results)