| 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 | 36.2 | Very low | 28.7 | Very low | 244 Ų | 244 | 178.8 Ų | 178.8 | 100% | 1.202 | 84% | 0.835 | S | S | * | * | 0 | 93.5 | 0 | 178.9 | -173.2 | -83 | 0 | 0 | 109 | |||||
| 2 | V | 28.6 | Very low | 28.6 | Very low | 135 Ų | 135 | 175.3 Ų | 175.3 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -143 | 126.8 | 169.4 | 176.6 | 0 | 0 | 0 | 0 | 107 | L4 | V2-L4 HydrophobicContact CG1-CD1 4.31Š| ||
| 3 | R | 27.8 | Very low | 28.7 | Very low | 229 Ų | 229 | 173.9 Ų | 173.9 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -90 | 132.6 | 174.4 | -82.8 | 178.4 | 167.7 | 177.6 | -4 | 109.5 | ||||
| 4 | L | 26.3 | Very low | 28.8 | Very low | 152 Ų | 152 | 166.7 Ų | 166.7 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -124.1 | 120.7 | 149.3 | -99.6 | 88.1 | 0 | 0 | 0 | 109.6 | V2 | V2-L4 HydrophobicContact CG1-CD1 4.31Š| ||
| 5 | H | 29.1 | Very low | 28.9 | Very low | 161 Ų | 161 | 169 Ų | 169 | 75% | 0.745 | 81% | 0.814 | S | S | * | * | trans | -81.9 | 146.3 | 158.2 | -87.9 | 9.4 | 0 | 0 | 0 | 109.1 | ||||
| 6 | R | 26.2 | Very low | 29.1 | Very low | 244 Ų | 244 | 166.8 Ų | 166.8 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -129.5 | 121.2 | 148.1 | -88.2 | -166.1 | 172.7 | -168 | -1.2 | 110.8 | ||||
| 7 | I | 29.9 | Very low | 29.3 | Very low | 141 Ų | 141 | 161.2 Ų | 161.2 | 72% | 0.723 | 81% | 0.811 | S | S | * | * | trans | -73.9 | 144.5 | 173.1 | -67.5 | 153.2 | 0 | 0 | 0 | 108.7 | ||||
| 8 | K | 27.4 | Very low | 29.5 | Very low | 196 Ų | 196 | 160.7 Ų | 160.7 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | trans | -126.1 | 113.6 | 149.3 | -90.9 | -168.3 | 174.7 | -177.7 | 0 | 110.3 | ||||
| 9 | L | 27.6 | Very low | 29.6 | Very low | 139 Ų | 139 | 158.1 Ų | 158.1 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | trans | -71.5 | 141.8 | 165.8 | -162.5 | 76.7 | 0 | 0 | 0 | 108.1 | L11 | L9-L11 HydrophobicContact CD2-CD1 3.87Š| ||
| 10 | F | 28.1 | Very low | 29.7 | Very low | 200 Ų | 200 | 157 Ų | 157 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -123.6 | 139.8 | 164.7 | -113.1 | -80.4 | 0 | 0 | 0 | 110.2 | ||||
| 11 | L | 28.3 | Very low | 29.9 | Very low | 126 Ų | 126 | 154 Ų | 154 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | trans | -124.3 | 126.1 | -163.4 | -142.2 | 105.2 | 0 | 0 | 0 | 110.8 | L9 | L9-L11 HydrophobicContact CD2-CD1 3.87Š| ||
| 12 | L | 27.5 | Very low | 30.1 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | 61.4 | 135.1 | 148.8 | -95.2 | 74.4 | 0 | 0 | 0 | 123.4 | ||||
| 13 | L | 30.7 | Very low | 31.2 | Very low | 158 Ų | 158 | 149 Ų | 149 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 86.8 | 130.3 | 137.8 | -73.8 | 168.6 | 0 | 0 | 0 | 122.5 | ||||
| 14 | A | 29.1 | Very low | 33.2 | Very low | 73 Ų | 73 | 143 Ų | 143 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | trans | -84.3 | 178.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 15 | F | 30.9 | Very low | 36 | Very low | 201 Ų | 201 | 136.1 Ų | 136.1 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | cis | -140.9 | -177.8 | 12.2 | -87.8 | -81.3 | 0 | 0 | 0 | 108 | ||||
| 16 | T | 31.2 | Very low | 38.7 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 72% | 0.722 | S | S | * | * | cis | -130.8 | 170.2 | 11.1 | 43.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 17 | G | 33.9 | Very low | 41.7 | Very low | 73 Ų | 73 | 122.5 Ų | 122.5 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | trans | -90.5 | 150.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 18 | V | 33 | Very low | 44.4 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 92% | 0.915 | 67% | 0.671 | S | S | * | * | trans | -120.9 | 142.9 | 144.2 | 179.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 19 | C | 30 | Very low | 47.2 | Very low | 111 Ų | 111 | 111.2 Ų | 111.2 | 75% | 0.75 | 64% | 0.641 | S | S | * | * | trans | -93.5 | 164 | -167 | -156.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 20 | T | 32.1 | Very low | 49.9 | Very low | 137 Ų | 137 | 110.6 Ų | 110.6 | 84% | 0.84 | 63% | 0.633 | S | S | * | * | trans | 73.3 | 138 | -179.5 | 75.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 21 | A | 34.6 | Very low | 52.6 | Low | 95 Ų | 95 | 104.3 Ų | 104.3 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | cis | -131.3 | 167 | -4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 22 | Q | 39.4 | Very low | 55.3 | Low | 167 Ų | 167 | 99.4 Ų | 99.4 | 78% | 0.78 | 59% | 0.586 | S | S | * | * | trans | -102.5 | 118 | -169.6 | -173.8 | 167 | -41.1 | 0 | 0 | 111.5 | D24 | Q22-D24 PolarHBondContact O-N 3.49Š| ||
| 23 | N | 52.7 | Low | 58.2 | Low | 105 Ų | 105 | 94.7 Ų | 94.7 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | trans | -82.9 | 100.8 | -180 | -73.9 | -4.3 | 0 | 0 | 0 | 111.3 | S102 | N23-S102 PolarHBondContact ND2-O 2.96Å; N23-S102 VanDerWaalsContact ND2-O 3.11Å | ||
| 24 | D | 69.1 | Low | 60.9 | Low | 104 Ų | 104 | 87.1 Ų | 87.1 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | trans | -88.8 | 3.8 | -179.4 | -94.9 | -1.9 | 0 | 0 | 0 | 114.5 | Q22 S101 | Q22-D24 PolarHBondContact O-N 3.49Å; D24-S101 PolarHBondContact N-OG 3.35Å | ||
| 25 | I | 84.8 | Confident | 63.6 | Low | 7 Ų | 7 | 88.7 Ų | 88.7 | 4% | 0.036 | 52% | 0.516 | C | S | . | . | trans | -110.7 | 139.4 | -179.2 | -160.4 | 168 | 0 | 0 | 0 | 111.4 | S42 H44 Y50 L90 A92 S101 A103 | I25-S42 WeakPolarHBondContact CD1-O 3.49Å; I25-S42 VanDerWaalsContact CG1-O 3.31Å; I25-S42 WeakPolarHBondContact CG1-O 3.23Å; I25-H44 HydrophobicContact CD1-CB 4.11Å; I25-Y50 HydrophobicContact CD1-CD1 4.03Å; I25-Y50 HydrophobicContact CD1-CE1 3.61Å; I25-L90 HydrophobicContact CD1-CD2 3.49Å; I25-L90 VanDerWaalsContact CD1-CD2 3.49Å; I25-L90 HydrophobicContact CD1-CG 4.22Å; I25-L90 HydrophobicContact CG1-CD2 3.88Å; I25-A92 HydrophobicContact CD1-CB 4Å; I25-S101 WeakPolarHBondContact CG2-OG 3.46Å; I25-A103 HydrophobicContact CG2-CB 3.76Å; I25-A103 WeakPolarHBondContact O-CB 3.36Å | ||
| 26 | T | 85.9 | Confident | 66.4 | Low | 96 Ų | 96 | 80.1 Ų | 80.1 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | trans | -111.5 | 142.5 | 177.1 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | W41 S42 | T26-W41 CarbonylContact O-C 3.59Å; T26-W41 WeakPolarHBondContact O-CA 3.09Å; T26-W41 WeakPolarHBondContact O-CB 3.25Å; T26-S42 PolarHBondContact N-OG 3.1Å; T26-S42 PolarHBondContact O-N 3.24Å; T26-S42 VanDerWaalsContact O-N 3.08Å; T26-S42 PolarHBondContact OG1-OG 2.59Å | ||
| 27 | L | 89 | Confident | 69.2 | Low | 24 Ų | 24 | 73.8 Ų | 73.8 | 13% | 0.126 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.9 | 179.1 | 177 | 66.6 | 0 | 0 | 0 | 109.2 | V39 W41 M88 L90 A103 T105 | L27-V39 HydrophobicContact CD1-CB 3.86Å; L27-V39 HydrophobicContact CD1-CG2 3.82Å; L27-W41 HydrophobicContact CD1-CB 4.31Å; L27-M88 HydrophobicContact CD2-CB 4.26Å; L27-M88 VanDerWaalsContact CD2-O 3.27Å; L27-M88 WeakPolarHBondContact CD2-O 3.27Å; L27-L90 HydrophobicContact CB-CD2 4.4Å; L27-L90 HydrophobicContact CD1-CB 4.24Å; L27-L90 HydrophobicContact CD1-CD2 4.27Å; L27-L90 HydrophobicContact CD2-CB 3.93Å; L27-L90 HydrophobicContact CG-CB 4.48Å; L27-A103 HydrophobicContact CB-CB 3.88Å; L27-T105 HydrophobicContact CD2-CG2 3.9Å; L27-T105 HydrophobicContact CG-CG2 4.08Å |
| 28 | S | 87.8 | Confident | 71.8 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 44% | 0.441 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 160.9 | 173 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | V39 Q40 | S28-V39 CarbonylContact O-C 3.54Å; S28-V39 WeakPolarHBondContact O-CA 3.33Å; S28-V39 WeakPolarHBondContact O-CB 3.23Å; S28-Q40 PolarHBondContact N-O 2.59Å; S28-Q40 PolarHBondContact O-N 2.77Å; S28-Q40 VanDerWaalsContact O-O 3.13Å; S28-Q40 PolarHBondContact OG-O 2.79Å |
| 29 | V | 85.1 | Confident | 74.4 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.6 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | V32 V39 T105 E107 | V29-V32 HydrophobicContact CG1-CG2 3.56Å; V29-V39 HydrophobicContact CB-CG1 4.39Å; V29-V39 HydrophobicContact CG1-CG1 4.33Å; V29-V39 HydrophobicContact CG2-CG1 3.77Å; V29-T105 HydrophobicContact CG2-CG2 3.8Å; V29-E107 HydrophobicContact CB-CG 4.04Å; V29-E107 HydrophobicContact CG1-CG 4.39Å; V29-E107 HydrophobicContact CG2-CB 4.49Å; V29-E107 HydrophobicContact CG2-CG 3.45Å; V29-E107 VanDerWaalsContact CG2-CG 3.45Å |
| 30 | F | 85.5 | Confident | 77.3 | Confident | 126 Ų | 126 | 62.9 Ų | 62.9 | 55% | 0.553 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -50 | -174.5 | -177.7 | -102.9 | 0 | 0 | 0 | 111.5 | T38 M74 | F30-T38 HydrophobicContact CD1-CG2 4.42Å; F30-T38 PolarHBondContact N-O 3.02Å; F30-M74 HydrophobicContact CB-CE 4.23Å; F30-M74 HydrophobicContact CD1-CE 4.1Å; F30-M74 HydrophobicContact CD1-SD 4.26Å; F30-M74 HydrophobicContact CD2-CE 3.83Å; F30-M74 HydrophobicContact CE1-CE 4.47Å; F30-M74 HydrophobicContact CE2-CE 4.22Å; F30-M74 HydrophobicContact CG-CE 3.78Å; F30-M74 HydrophobicContact CG-SD 4.45Å |
| 31 | T | 84.3 | Confident | 80.1 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 146 | 173.6 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | T38 | T31-T38 PolarHBondContact N-O 2.05Å; T31-T38 PolarHBondContact O-N 2.81Å; T31-T38 VanDerWaalsContact OG1-CB 3.3Å; T31-T38 WeakPolarHBondContact OG1-CB 3.24Å; T31-T38 PolarHBondContact OG1-OG1 3.46Å |
| 32 | V | 85.4 | Confident | 82.7 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.6 | 178.3 | -180 | 0 | 0 | 0 | 0 | 108.4 | V29 M37 T108 G183 | V29-V32 HydrophobicContact CG1-CG2 3.56Å; V32-M37 HydrophobicContact CG1-CE 3.93Å; V32-M37 HydrophobicContact CG1-CG 4.16Å; V32-M37 HydrophobicContact CG2-CE 4.37Å; V32-M37 HydrophobicContact CG2-CG 4.2Å; V32-T108 WeakPolarHBondContact CG1-O 3.29Å; V32-G183 VanDerWaalsContact CB-O 3.27Å; V32-G183 WeakPolarHBondContact CB-O 3.21Å |
| 33 | T | 87.1 | Confident | 84.7 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 22% | 0.221 | 28% | 0.279 | C | S | . | . | trans | -120.3 | -171.6 | 168.9 | 76.7 | 0 | 0 | 0 | 0 | 109.6 | K35 S36 A110 | T33-K35 VanDerWaalsContact C-N 3.31Å; T33-K35 PolarHBondContact OG1-N 3.27Å; T33-S36 PolarHBondContact N-O 2.82Å; T33-S36 PolarHBondContact OG1-N 2.84Å; T33-S36 PolarHBondContact OG1-O 3.32Å; T33-S36 PolarHBondContact OG1-OG 2.79Å; T33-A110 PolarHBondContact O-N 3.38Å | ||
| 34 | S | 87.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -73.2 | -22.3 | 173.4 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | S81 P82 P111 | S34-S81 CarbonylContact O-C 3.47Å; S34-P82 VanDerWaalsContact O-CA 3.28Å; S34-P82 WeakPolarHBondContact O-CA 3.08Å; S34-P111 WeakPolarHBondContact CB-O 3.49Å |
| 35 | K | 87.9 | Confident | 86.8 | Confident | 105 Ų | 105 | 45.8 Ų | 45.8 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -130.4 | 2.4 | -173.7 | -62.7 | -172.9 | 179.9 | 179.5 | 0 | 115.1 | T33 N78 S79 L80 | T33-K35 VanDerWaalsContact C-N 3.31Å; T33-K35 PolarHBondContact OG1-N 3.27Å; K35-N78 CarbonylContact O-C 3.56Å; K35-S79 PolarHBondContact O-N 2.72Å; K35-L80 WeakPolarHBondContact CA-O 3.42Å; K35-L80 PolarHBondContact O-N 2.94Å |
| 36 | S | 89.2 | Confident | 86.6 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 155.7 | 176.6 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | T33 V77 N78 | T33-S36 PolarHBondContact N-O 2.82Å; T33-S36 PolarHBondContact OG1-N 2.84Å; T33-S36 PolarHBondContact OG1-O 3.32Å; T33-S36 PolarHBondContact OG1-OG 2.79Å; S36-V77 CarbonylContact C-O 3.53Å; S36-V77 WeakPolarHBondContact CA-O 3.34Å; S36-V77 WeakPolarHBondContact CB-O 3.01Å; S36-N78 WeakPolarHBondContact CB-OD1 3.44Å |
| 37 | M | 88.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.1 | 168.3 | -73.7 | 177.7 | 169.7 | 0 | 0 | 109 | V32 V39 S76 V77 L80 M88 E107 T108 T109 | V32-M37 HydrophobicContact CG1-CE 3.93Å; V32-M37 HydrophobicContact CG1-CG 4.16Å; V32-M37 HydrophobicContact CG2-CE 4.37Å; V32-M37 HydrophobicContact CG2-CG 4.2Å; M37-V39 HydrophobicContact CB-CG1 4.4Å; M37-S76 WeakPolarHBondContact O-CA 3.45Å; M37-V77 PolarHBondContact N-O 2.02Å; M37-V77 PolarHBondContact O-N 3.08Å; M37-L80 HydrophobicContact CB-CD1 3.91Å; M37-L80 HydrophobicContact CG-CD1 3.64Å; M37-L80 HydrophobicContact SD-CD1 4.01Å; M37-M88 HydrophobicContact CB-CE 4.14Å; M37-M88 HydrophobicContact SD-CE 4.37Å; M37-M88 HydrophobicContact SD-CG 4.14Å; M37-M88 HydrophobicContact SD-SD 3.89Å; M37-E107 HydrophobicContact CE-CB 3.57Å; M37-E107 HydrophobicContact SD-CB 4.08Å; M37-T108 WeakPolarHBondContact CE-O 3.05Å; M37-T109 HydrophobicContact CE-CG2 3.81Å |
| 38 | T | 89.3 | Confident | 86.4 | Confident | 28 Ų | 28 | 45.8 Ų | 45.8 | 17% | 0.172 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120.2 | 167.6 | -49.8 | 0 | 0 | 0 | 0 | 108.3 | F30 T31 M74 G75 | F30-T38 HydrophobicContact CD1-CG2 4.42Å; F30-T38 PolarHBondContact N-O 3.02Å; T31-T38 PolarHBondContact N-O 2.05Å; T31-T38 PolarHBondContact O-N 2.81Å; T31-T38 VanDerWaalsContact OG1-CB 3.3Å; T31-T38 WeakPolarHBondContact OG1-CB 3.24Å; T31-T38 PolarHBondContact OG1-OG1 3.46Å; T38-M74 HydrophobicContact CG2-CG 3.81Å; T38-M74 HydrophobicContact CG2-SD 4.08Å; T38-G75 WeakPolarHBondContact CA-O 3.2Å |
| 39 | V | 88.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 152.4 | -179.9 | -54.2 | 0 | 0 | 0 | 0 | 110.2 | L27 S28 V29 M37 W41 I52 M74 G75 M88 | L27-V39 HydrophobicContact CD1-CB 3.86Å; L27-V39 HydrophobicContact CD1-CG2 3.82Å; S28-V39 CarbonylContact O-C 3.54Å; S28-V39 WeakPolarHBondContact O-CA 3.33Å; S28-V39 WeakPolarHBondContact O-CB 3.23Å; V29-V39 HydrophobicContact CB-CG1 4.39Å; V29-V39 HydrophobicContact CG1-CG1 4.33Å; V29-V39 HydrophobicContact CG2-CG1 3.77Å; M37-V39 HydrophobicContact CB-CG1 4.4Å; V39-W41 HydrophobicContact CG2-CE3 4.09Å; V39-W41 HydrophobicContact CG2-CZ3 3.95Å; V39-W41 WeakPolarHBondContact O-CZ3 3.44Å; V39-I52 HydrophobicContact CG2-CD1 3.34Å; V39-I52 HydrophobicContact CG2-CG1 4.36Å; V39-I52 HydrophobicContact CG2-CG2 4.39Å; V39-M74 VanDerWaalsContact O-CA 3.31Å; V39-M74 WeakPolarHBondContact O-CA 3.39Å; V39-M74 WeakPolarHBondContact O-CG 3.4Å; V39-G75 PolarHBondContact N-O 2.78Å; V39-G75 PolarHBondContact O-N 2.76Å; V39-M88 HydrophobicContact CG1-CE 4.02Å |
| 40 | Q | 91 | Very high | 86.7 | Confident | 78 Ų | 78 | 41.8 Ų | 41.8 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143.5 | -177.8 | -174.8 | 177.4 | -5.5 | 0 | 0 | 109.1 | S28 V73 M74 | S28-Q40 PolarHBondContact N-O 2.59Å; S28-Q40 PolarHBondContact O-N 2.77Å; S28-Q40 VanDerWaalsContact O-O 3.13Å; S28-Q40 PolarHBondContact OG-O 2.79Å; Q40-V73 WeakPolarHBondContact CA-O 3.01Å; Q40-V73 WeakPolarHBondContact CG-O 3.47Å; Q40-M74 HydrophobicContact CB-CE 3.98Å; Q40-M74 HydrophobicContact CB-CG 4.37Å; Q40-M74 HydrophobicContact CG-CB 4.43Å; Q40-M74 HydrophobicContact CG-CE 3.94Å; Q40-M74 VanDerWaalsContact OE1-CE 3.3Å |
| 41 | W | 90.3 | Very high | 86.9 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 163.1 | -176.6 | 59.1 | 95.7 | 0 | 0 | 0 | 113.4 | T26 L27 V39 Y50 I52 F68 T72 V73 M74 L90 | T26-W41 CarbonylContact O-C 3.59Å; T26-W41 WeakPolarHBondContact O-CA 3.09Å; T26-W41 WeakPolarHBondContact O-CB 3.25Å; L27-W41 HydrophobicContact CD1-CB 4.31Å; V39-W41 HydrophobicContact CG2-CE3 4.09Å; V39-W41 HydrophobicContact CG2-CZ3 3.95Å; V39-W41 WeakPolarHBondContact O-CZ3 3.44Å; W41-Y50 AromaticContact CE2-CD2 3.99Å; W41-Y50 AromaticContact CE2-CG 3.99Å; W41-Y50 HydrophobicContact CZ2-CD2 4.11Å; W41-Y50 HydrophobicContact CZ2-CG 4.23Å; W41-Y50 AromaticContact NE1-CD1 3.67Å; W41-Y50 AromaticContact NE1-CD2 3.29Å; W41-Y50 VanDerWaalsContact NE1-CD2 3.29Å; W41-Y50 AromaticContact NE1-CE1 3.94Å; W41-Y50 AromaticContact NE1-CE2 3.56Å; W41-Y50 AromaticContact NE1-CG 3.36Å; W41-Y50 AromaticContact NE1-CZ 3.91Å; W41-I52 HydrophobicContact CE3-CD1 3.84Å; W41-I52 HydrophobicContact CH2-CD1 3.62Å; W41-I52 HydrophobicContact CZ2-CD1 4.45Å; W41-I52 HydrophobicContact CZ3-CD1 3.26Å; W41-F68 HydrophobicContact CH2-CB 4.4Å; W41-F68 AromaticContact CH2-CD2 3.76Å; W41-F68 HydrophobicContact CH2-CD2 3.76Å; W41-F68 HydrophobicContact CH2-CE2 4.21Å; W41-F68 HydrophobicContact CH2-CG 4.03Å; W41-F68 HydrophobicContact CZ2-CB 4.25Å; W41-F68 HydrophobicContact CZ2-CD2 4.26Å; W41-F68 HydrophobicContact CZ2-CG 4.36Å; W41-T72 VanDerWaalsContact CE2-O 3.3Å; W41-T72 HydrophobicContact CH2-CG2 4.31Å; W41-T72 HydrophobicContact CZ2-CG2 4.19Å; W41-T72 VanDerWaalsContact CZ2-O 3.23Å; W41-T72 WeakPolarHBondContact CZ2-O 3.19Å; W41-T72 PolarHBondContact NE1-O 3.43Å; W41-V73 PolarHBondContact N-O 3.41Å; W41-V73 WeakPolarHBondContact O-CB 3.45Å; W41-M74 VanDerWaalsContact CH2-C 3.47Å; W41-M74 VanDerWaalsContact CZ3-C 3.48Å; W41-L90 HydrophobicContact CB-CD2 3.4Å; W41-L90 VanDerWaalsContact CB-CD2 3.4Å; W41-L90 HydrophobicContact CD2-CD1 4.12Å; W41-L90 HydrophobicContact CD2-CD2 4.27Å; W41-L90 HydrophobicContact CG-CD1 4.23Å; W41-L90 HydrophobicContact CG-CD2 3.58Å |
| 42 | S | 87.9 | Confident | 87.3 | Confident | 38 Ų | 38 | 35 Ų | 35 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | trans | -77.8 | 143.8 | 169.9 | 61 | 0 | 0 | 0 | 0 | 111.4 | I25 T26 | I25-S42 WeakPolarHBondContact CD1-O 3.49Å; I25-S42 VanDerWaalsContact CG1-O 3.31Å; I25-S42 WeakPolarHBondContact CG1-O 3.23Å; T26-S42 PolarHBondContact N-OG 3.1Å; T26-S42 PolarHBondContact O-N 3.24Å; T26-S42 VanDerWaalsContact O-N 3.08Å; T26-S42 PolarHBondContact OG1-OG 2.59Å | ||
| 43 | G | 83.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 34.6 Ų | 34.6 | 55% | 0.546 | 22% | 0.224 | S | C | . | . | trans | -71.4 | 138.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 44 | H | 84.9 | Confident | 87.6 | Confident | 38 Ų | 38 | 32.9 Ų | 32.9 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | trans | -112.3 | 131.6 | 178.4 | -173 | 70.7 | 0 | 0 | 0 | 111.4 | I25 G46 A47 Y50 A92 | I25-H44 HydrophobicContact CD1-CB 4.11Å; H44-G46 PolarHBondContact O-N 3.47Å; H44-A47 PolarHBondContact O-N 3Å; H44-Y50 HydrophobicContact CB-CE1 4.44Å; H44-Y50 PolarHBondContact N-OH 2.78Å; H44-A92 HydrophobicContact CB-CB 4.27Å | ||
| 45 | S | 80.6 | Confident | 87.7 | Confident | 109 Ų | 109 | 35.3 Ų | 35.3 | 76% | 0.762 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 123.6 | -176.2 | 52.8 | 0 | 0 | 0 | 0 | 112 | ||
| 46 | G | 80.2 | Confident | 87.7 | Confident | 65 Ų | 65 | 31.1 Ų | 31.1 | 67% | 0.67 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -10.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H44 L100 | H44-G46 PolarHBondContact O-N 3.47Å; G46-L100 WeakPolarHBondContact O-CD1 3.47Å |
| 47 | A | 84.3 | Confident | 87.5 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | trans | -73.6 | 126.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | H44 Y50 A92 M93 L100 | H44-A47 PolarHBondContact O-N 3Å; A47-Y50 HydrophobicContact CB-CE1 3.95Å; A47-A92 HydrophobicContact CB-CB 4.01Å; A47-M93 CarbonylContact C-O 3.55Å; A47-M93 WeakPolarHBondContact CA-O 3.49Å; A47-L100 HydrophobicContact CB-CD1 4.33Å | ||
| 48 | S | 85.6 | Confident | 87.1 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -96.9 | -19.9 | 173.4 | 65.4 | 0 | 0 | 0 | 0 | 113 | G70 M93 D94 N95 | S48-G70 WeakPolarHBondContact O-CA 3.38Å; S48-G70 PolarHBondContact O-N 2.8Å; S48-M93 PolarHBondContact N-O 2.67Å; S48-M93 PolarHBondContact OG-O 3.13Å; S48-D94 PolarHBondContact OG-O 3.1Å; S48-N95 WeakPolarHBondContact CB-OD1 3.24Å; S48-N95 PolarHBondContact OG-N 2.83Å; S48-N95 PolarHBondContact OG-OD1 2.83Å |
| 49 | S | 89.1 | Confident | 86.3 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 160.3 | 169.5 | 67.7 | 0 | 0 | 0 | 0 | 112 | Q67 F68 M93 | S49-Q67 PolarHBondContact OG-NE2 2.79Å; S49-F68 CarbonylContact C-O 3.6Å; S49-F68 VanDerWaalsContact CA-O 3.26Å; S49-F68 WeakPolarHBondContact CA-O 3.46Å; S49-F68 VanDerWaalsContact CB-O 3.3Å; S49-F68 WeakPolarHBondContact CB-O 3.37Å; S49-M93 PolarHBondContact N-O 3.18Å; S49-M93 PolarHBondContact O-N 2.72Å |
| 50 | Y | 90.6 | Very high | 85.7 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.1 | 168.7 | -61.8 | -77.1 | 0 | 0 | 0 | 109.2 | I25 W41 H44 A47 Q67 F68 G70 T72 L90 E91 A92 | I25-Y50 HydrophobicContact CD1-CD1 4.03Å; I25-Y50 HydrophobicContact CD1-CE1 3.61Å; W41-Y50 AromaticContact CE2-CD2 3.99Å; W41-Y50 AromaticContact CE2-CG 3.99Å; W41-Y50 HydrophobicContact CZ2-CD2 4.11Å; W41-Y50 HydrophobicContact CZ2-CG 4.23Å; W41-Y50 AromaticContact NE1-CD1 3.67Å; W41-Y50 AromaticContact NE1-CD2 3.29Å; W41-Y50 VanDerWaalsContact NE1-CD2 3.29Å; W41-Y50 AromaticContact NE1-CE1 3.94Å; W41-Y50 AromaticContact NE1-CE2 3.56Å; W41-Y50 AromaticContact NE1-CG 3.36Å; W41-Y50 AromaticContact NE1-CZ 3.91Å; H44-Y50 HydrophobicContact CB-CE1 4.44Å; H44-Y50 PolarHBondContact N-OH 2.78Å; A47-Y50 HydrophobicContact CB-CE1 3.95Å; Y50-Q67 CarbonylContact O-C 3.6Å; Y50-Q67 VanDerWaalsContact O-CA 3.32Å; Y50-Q67 WeakPolarHBondContact O-CA 3.48Å; Y50-Q67 WeakPolarHBondContact O-CG 3.39Å; Y50-F68 PolarHBondContact N-O 3.01Å; Y50-F68 PolarHBondContact O-N 2.78Å; Y50-G70 WeakPolarHBondContact CE2-O 3.36Å; Y50-T72 WeakPolarHBondContact CD2-O 3.31Å; Y50-T72 WeakPolarHBondContact CE2-O 3.36Å; Y50-L90 HydrophobicContact CD1-CD1 4.14Å; Y50-L90 HydrophobicContact CG-CD1 4.33Å; Y50-E91 WeakPolarHBondContact CA-O 3.09Å; Y50-A92 HydrophobicContact CD1-CB 3.86Å; Y50-A92 HydrophobicContact CE1-CB 3.68Å |
| 51 | K | 90.3 | Very high | 85.3 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 23% | 0.226 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.2 | 171 | 179.8 | -173.1 | 156.6 | -129.2 | 0 | 108.4 | T53 F65 Q67 E91 M93 | K51-T53 VanDerWaalsContact CE-OG1 3.28Å; K51-T53 WeakPolarHBondContact CE-OG1 3.4Å; K51-T53 PolarHBondContact NZ-OG1 2.85Å; K51-F65 HydrophobicContact CG-CB 4.48Å; K51-F65 HydrophobicContact CG-CD2 4.43Å; K51-Q67 HydrophobicContact CB-CG 4.46Å; K51-E91 PolarHBondContact N-O 3.14Å; K51-E91 IonicContact NZ-OE2 2.78Å; K51-E91 PolarHBondContact NZ-OE2 2.86Å; K51-E91 PolarHBondContact O-N 3.12Å; K51-M93 HydrophobicContact CB-CE 3.89Å; K51-M93 HydrophobicContact CB-SD 3.98Å; K51-M93 HydrophobicContact CD-CE 3.66Å; K51-M93 HydrophobicContact CD-SD 4.4Å; K51-M93 HydrophobicContact CG-CE 4.44Å |
| 52 | I | 91.4 | Very high | 85 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.5 | 171.9 | -62.1 | 162.7 | 0 | 0 | 0 | 107.6 | V39 W41 F65 A66 F68 V77 M88 Q89 L90 | V39-I52 HydrophobicContact CG2-CD1 3.34Å; V39-I52 HydrophobicContact CG2-CG1 4.36Å; V39-I52 HydrophobicContact CG2-CG2 4.39Å; W41-I52 HydrophobicContact CE3-CD1 3.84Å; W41-I52 HydrophobicContact CH2-CD1 3.62Å; W41-I52 HydrophobicContact CZ2-CD1 4.45Å; W41-I52 HydrophobicContact CZ3-CD1 3.26Å; I52-F65 CarbonylContact O-C 3.52Å; I52-F65 WeakPolarHBondContact O-CA 3.3Å; I52-F65 WeakPolarHBondContact O-CB 3.49Å; I52-A66 PolarHBondContact N-O 2.88Å; I52-A66 PolarHBondContact O-N 2.77Å; I52-F68 HydrophobicContact CD1-CD2 4.08Å; I52-F68 HydrophobicContact CD1-CE2 3.73Å; I52-F68 HydrophobicContact CG1-CE2 4.41Å; I52-V77 HydrophobicContact CB-CG2 3.99Å; I52-V77 HydrophobicContact CG2-CG2 3.56Å; I52-M88 HydrophobicContact CG2-CE 3.91Å; I52-Q89 CarbonylContact C-O 3.54Å; I52-Q89 WeakPolarHBondContact CA-O 3.42Å; I52-L90 HydrophobicContact CD1-CD1 4.16Å; I52-L90 HydrophobicContact CG1-CB 4.46Å; I52-L90 HydrophobicContact CG1-CD1 3.5Å |
| 53 | T | 89.9 | Confident | 84.9 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 9% | 0.092 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.1 | 175.7 | -50.1 | 0 | 0 | 0 | 0 | 109 | K51 P63 V64 F65 Q89 | K51-T53 VanDerWaalsContact CE-OG1 3.28Å; K51-T53 WeakPolarHBondContact CE-OG1 3.4Å; K51-T53 PolarHBondContact NZ-OG1 2.85Å; T53-P63 HydrophobicContact CG2-CB 3.77Å; T53-V64 CarbonylContact C-O 3.55Å; T53-F65 HydrophobicContact CG2-CB 4.46Å; T53-Q89 PolarHBondContact N-O 3.05Å; T53-Q89 PolarHBondContact O-N 3.17Å |
| 54 | A | 89.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 104 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | P63 V64 V77 L80 Y86 M88 | A54-P63 VanDerWaalsContact O-CA 3.27Å; A54-P63 WeakPolarHBondContact O-CA 3.19Å; A54-V64 PolarHBondContact N-O 2.86Å; A54-V64 PolarHBondContact O-N 2.91Å; A54-V77 HydrophobicContact CB-CG1 3.97Å; A54-L80 HydrophobicContact CB-CD2 3.63Å; A54-Y86 HydrophobicContact CB-CD1 3.85Å; A54-Y86 HydrophobicContact CB-CE1 4.44Å; A54-Y86 HydrophobicContact CB-CG 4.43Å; A54-M88 HydrophobicContact CB-CE 3.96Å; A54-M88 HydrophobicContact CB-SD 3.41Å; A54-M88 WeakPolarHBondContact CB-SD 3.27Å |
| 55 | T | 89.1 | Confident | 85.5 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.4 | 179.7 | -62.1 | 0 | 0 | 0 | 0 | 110.4 | P63 Y86 T87 | T55-P63 HydrophobicContact CG2-CG 4.2Å; T55-Y86 WeakPolarHBondContact O-CA 3.4Å; T55-T87 PolarHBondContact N-O 2.84Å; T55-T87 PolarHBondContact O-N 3.09Å |
| 56 | P | 89.1 | Confident | 85.9 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.104 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 137.6 | 178.3 | 27.2 | -31.6 | 0 | 0 | 0 | 111 | E61 T84 Y86 | P56-E61 HydrophobicContact CG-CB 4.15Å; P56-E61 WeakPolarHBondContact CG-O 3.39Å; P56-T84 HydrophobicContact CB-CG2 3.84Å; P56-Y86 HydrophobicContact CB-CD1 4.08Å; P56-Y86 HydrophobicContact CB-CE1 3.66Å; P56-Y86 HydrophobicContact CG-CE1 4.12Å |
| 57 | K | 84.9 | Confident | 86.4 | Confident | 129 Ų | 129 | 61 Ų | 61 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -98.7 | -29.9 | 177.9 | -90.2 | 179.4 | 162.9 | 141.6 | 0 | 113.8 | V85 T87 V106 | K57-V85 HydrophobicContact CB-CB 4.37Å; K57-V85 HydrophobicContact CB-CG1 4.34Å; K57-V85 HydrophobicContact CD-CG1 4.45Å; K57-V85 PolarHBondContact N-O 2.96Å; K57-T87 VanDerWaalsContact CD-OG1 3.23Å; K57-T87 WeakPolarHBondContact CD-OG1 3.34Å; K57-T87 WeakPolarHBondContact CE-OG1 3.23Å; K57-T87 PolarHBondContact NZ-OG1 2.68Å; K57-V106 HydrophobicContact CD-CG1 4.49Å |
| 58 | N | 78.5 | Confident | 86.6 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -117.1 | 13.5 | -176.4 | 67 | -31.2 | 0 | 0 | 0 | 113.5 | N83 T84 V85 | N58-N83 PolarHBondContact ND2-O 3.33Å; N58-T84 WeakPolarHBondContact OD1-CA 3.18Å; N58-T84 WeakPolarHBondContact OD1-CG2 3.05Å; N58-V85 PolarHBondContact OD1-N 2.9Å |
| 59 | S | 73.9 | Confident | 86.7 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -135.2 | 142.4 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 109.4 | E61 | S59-E61 PolarHBondContact O-N 2.79Å; S59-E61 WeakPolarHBondContact OG-CG 3.39Å; S59-E61 PolarHBondContact OG-N 3.3Å; S59-E61 PolarHBondContact OG-OE2 2.84Å |
| 60 | P | 75.9 | Confident | 86.4 | Confident | 137 Ų | 137 | 63.5 Ų | 63.5 | 89% | 0.89 | 33% | 0.331 | S | S | * | . | trans | -78.3 | 11.2 | 178.6 | 34.9 | -37.6 | 0 | 0 | 0 | 113.8 | ||||
| 61 | E | 81.4 | Confident | 86 | Confident | 91 Ų | 91 | 70.9 Ų | 70.9 | 43% | 0.425 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 161.4 | -179.7 | -75.5 | 170.8 | 166.8 | 0 | 0 | 113.3 | P56 S59 S81 | P56-E61 HydrophobicContact CG-CB 4.15Å; P56-E61 WeakPolarHBondContact CG-O 3.39Å; S59-E61 PolarHBondContact O-N 2.79Å; S59-E61 WeakPolarHBondContact OG-CG 3.39Å; S59-E61 PolarHBondContact OG-N 3.3Å; S59-E61 PolarHBondContact OG-OE2 2.84Å; E61-S81 PolarHBondContact OE1-OG 2.66Å; E61-S81 WeakPolarHBondContact OE2-CB 3.12Å; E61-S81 PolarHBondContact OE2-OG 3.36Å |
| 62 | R | 84 | Confident | 85.9 | Confident | 221 Ų | 221 | 70.2 Ų | 70.2 | 83% | 0.834 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 146.5 | 179.1 | -64.5 | -174.7 | 179.1 | -166 | -0.5 | 110.6 | V64 | R62-V64 PolarHBondContact O-N 2.94Š|
| 63 | P | 87 | Confident | 85.8 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 132.3 | 170.8 | -22.3 | 32.6 | 0 | 0 | 0 | 111.1 | T53 A54 T55 | T53-P63 HydrophobicContact CG2-CB 3.77Å; A54-P63 VanDerWaalsContact O-CA 3.27Å; A54-P63 WeakPolarHBondContact O-CA 3.19Å; T55-P63 HydrophobicContact CG2-CG 4.2Å |
| 64 | V | 89.7 | Confident | 85.7 | Confident | 43 Ų | 43 | 76.1 Ų | 76.1 | 26% | 0.261 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 140.2 | 174.1 | -174.9 | 0 | 0 | 0 | 0 | 108 | T53 A54 R62 V77 N78 L80 | T53-V64 CarbonylContact C-O 3.55Å; A54-V64 PolarHBondContact N-O 2.86Å; A54-V64 PolarHBondContact O-N 2.91Å; R62-V64 PolarHBondContact O-N 2.94Å; V64-V77 HydrophobicContact CB-CG1 4.36Å; V64-V77 HydrophobicContact CG1-CG1 4.07Å; V64-N78 WeakPolarHBondContact CG1-O 3.41Å; V64-L80 HydrophobicContact CB-CD2 4.42Å |
| 65 | F | 90.2 | Very high | 85.7 | Confident | 133 Ų | 133 | 76.5 Ų | 76.5 | 58% | 0.583 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152.4 | 176.7 | 69.6 | -87.1 | 0 | 0 | 0 | 112.6 | K51 I52 T53 | K51-F65 HydrophobicContact CG-CB 4.48Å; K51-F65 HydrophobicContact CG-CD2 4.43Å; I52-F65 CarbonylContact O-C 3.52Å; I52-F65 WeakPolarHBondContact O-CA 3.3Å; I52-F65 WeakPolarHBondContact O-CB 3.49Å; T53-F65 HydrophobicContact CG2-CB 4.46Å |
| 66 | A | 89.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 75.7 Ų | 75.7 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I52 F68 V77 | I52-A66 PolarHBondContact N-O 2.88Å; I52-A66 PolarHBondContact O-N 2.77Å; A66-F68 HydrophobicContact CB-CE2 3.59Å; A66-F68 HydrophobicContact CB-CZ 3.61Å; A66-V77 HydrophobicContact CB-CG2 4.3Å |
| 67 | Q | 89.6 | Confident | 85.7 | Confident | 101 Ų | 101 | 75 Ų | 75 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 136.6 | 179.1 | -165.1 | 172.9 | 10.5 | 0 | 0 | 110.1 | S49 Y50 K51 | S49-Q67 PolarHBondContact OG-NE2 2.79Å; Y50-Q67 CarbonylContact O-C 3.6Å; Y50-Q67 VanDerWaalsContact O-CA 3.32Å; Y50-Q67 WeakPolarHBondContact O-CA 3.48Å; Y50-Q67 WeakPolarHBondContact O-CG 3.39Å; K51-Q67 HydrophobicContact CB-CG 4.46Å |
| 68 | F | 90.3 | Very high | 85.9 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 19% | 0.193 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 157.1 | -173.5 | -55.7 | -83.5 | 0 | 0 | 0 | 110.2 | W41 S49 Y50 I52 A66 T72 | W41-F68 HydrophobicContact CH2-CB 4.4Å; W41-F68 AromaticContact CH2-CD2 3.76Å; W41-F68 HydrophobicContact CH2-CD2 3.76Å; W41-F68 HydrophobicContact CH2-CE2 4.21Å; W41-F68 HydrophobicContact CH2-CG 4.03Å; W41-F68 HydrophobicContact CZ2-CB 4.25Å; W41-F68 HydrophobicContact CZ2-CD2 4.26Å; W41-F68 HydrophobicContact CZ2-CG 4.36Å; S49-F68 CarbonylContact C-O 3.6Å; S49-F68 VanDerWaalsContact CA-O 3.26Å; S49-F68 WeakPolarHBondContact CA-O 3.46Å; S49-F68 VanDerWaalsContact CB-O 3.3Å; S49-F68 WeakPolarHBondContact CB-O 3.37Å; Y50-F68 PolarHBondContact N-O 3.01Å; Y50-F68 PolarHBondContact O-N 2.78Å; I52-F68 HydrophobicContact CD1-CD2 4.08Å; I52-F68 HydrophobicContact CD1-CE2 3.73Å; I52-F68 HydrophobicContact CG1-CE2 4.41Å; A66-F68 HydrophobicContact CB-CE2 3.59Å; A66-F68 HydrophobicContact CB-CZ 3.61Å; F68-T72 HydrophobicContact CB-CG2 3.92Å; F68-T72 HydrophobicContact CD1-CG2 4.16Å; F68-T72 HydrophobicContact CG-CG2 4.27Å |
| 69 | S | 86.9 | Confident | 86.3 | Confident | 64 Ų | 64 | 73.5 Ų | 73.5 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 156.5 | 178.5 | 76.8 | 0 | 0 | 0 | 0 | 111.8 | N71 T72 | S69-N71 PolarHBondContact O-N 3.36Å; S69-T72 VanDerWaalsContact O-CB 3.28Å; S69-T72 WeakPolarHBondContact O-CB 3.16Å; S69-T72 PolarHBondContact O-N 2.79Å; S69-T72 PolarHBondContact O-OG1 2.82Å; S69-T72 PolarHBondContact OG-OG1 2.89Å |
| 70 | G | 82 | Confident | 87 | Confident | 19 Ų | 19 | 72.4 Ų | 72.4 | 20% | 0.196 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -15.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S48 Y50 | S48-G70 WeakPolarHBondContact O-CA 3.38Å; S48-G70 PolarHBondContact O-N 2.8Å; Y50-G70 WeakPolarHBondContact CE2-O 3.36Å |
| 71 | N | 83.4 | Confident | 87.6 | Confident | 158 Ų | 158 | 67 Ų | 67 | 85% | 0.845 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -5.7 | 174.5 | -65.8 | -14.2 | 0 | 0 | 0 | 113.3 | S69 | S69-N71 PolarHBondContact O-N 3.36Š|
| 72 | T | 87.3 | Confident | 88 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | trans | -92.5 | 128.1 | -177 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | W41 Y50 F68 S69 M74 | W41-T72 VanDerWaalsContact CE2-O 3.3Å; W41-T72 HydrophobicContact CH2-CG2 4.31Å; W41-T72 HydrophobicContact CZ2-CG2 4.19Å; W41-T72 VanDerWaalsContact CZ2-O 3.23Å; W41-T72 WeakPolarHBondContact CZ2-O 3.19Å; W41-T72 PolarHBondContact NE1-O 3.43Å; Y50-T72 WeakPolarHBondContact CD2-O 3.31Å; Y50-T72 WeakPolarHBondContact CE2-O 3.36Å; F68-T72 HydrophobicContact CB-CG2 3.92Å; F68-T72 HydrophobicContact CD1-CG2 4.16Å; F68-T72 HydrophobicContact CG-CG2 4.27Å; S69-T72 VanDerWaalsContact O-CB 3.28Å; S69-T72 WeakPolarHBondContact O-CB 3.16Å; S69-T72 PolarHBondContact O-N 2.79Å; S69-T72 PolarHBondContact O-OG1 2.82Å; S69-T72 PolarHBondContact OG-OG1 2.89Å; T72-M74 WeakPolarHBondContact CG2-O 3.34Å | ||
| 73 | V | 88.8 | Confident | 88.1 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 42% | 0.418 | 33% | 0.326 | S | S | . | . | trans | -118.4 | 5.5 | -179.4 | -66.4 | 0 | 0 | 0 | 0 | 113.5 | Q40 W41 | Q40-V73 WeakPolarHBondContact CA-O 3.01Å; Q40-V73 WeakPolarHBondContact CG-O 3.47Å; W41-V73 PolarHBondContact N-O 3.41Å; W41-V73 WeakPolarHBondContact O-CB 3.45Å | ||
| 74 | M | 89.4 | Confident | 88.2 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 140.6 | 175.6 | -175.9 | -174.8 | -78.5 | 0 | 0 | 109.2 | F30 T38 V39 Q40 W41 T72 | F30-M74 HydrophobicContact CB-CE 4.23Å; F30-M74 HydrophobicContact CD1-CE 4.1Å; F30-M74 HydrophobicContact CD1-SD 4.26Å; F30-M74 HydrophobicContact CD2-CE 3.83Å; F30-M74 HydrophobicContact CE1-CE 4.47Å; F30-M74 HydrophobicContact CE2-CE 4.22Å; F30-M74 HydrophobicContact CG-CE 3.78Å; F30-M74 HydrophobicContact CG-SD 4.45Å; T38-M74 HydrophobicContact CG2-CG 3.81Å; T38-M74 HydrophobicContact CG2-SD 4.08Å; V39-M74 VanDerWaalsContact O-CA 3.31Å; V39-M74 WeakPolarHBondContact O-CA 3.39Å; V39-M74 WeakPolarHBondContact O-CG 3.4Å; Q40-M74 HydrophobicContact CB-CE 3.98Å; Q40-M74 HydrophobicContact CB-CG 4.37Å; Q40-M74 HydrophobicContact CG-CB 4.43Å; Q40-M74 HydrophobicContact CG-CE 3.94Å; Q40-M74 VanDerWaalsContact OE1-CE 3.3Å; W41-M74 VanDerWaalsContact CH2-C 3.47Å; W41-M74 VanDerWaalsContact CZ3-C 3.48Å; T72-M74 WeakPolarHBondContact CG2-O 3.34Å |
| 75 | G | 87.9 | Confident | 88.1 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 153.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T38 V39 | T38-G75 WeakPolarHBondContact CA-O 3.2Å; V39-G75 PolarHBondContact N-O 2.78Å; V39-G75 PolarHBondContact O-N 2.76Å |
| 76 | S | 90.1 | Very high | 88.1 | Confident | 34 Ų | 34 | 47 Ų | 47 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.9 | 179.1 | -173 | 0 | 0 | 0 | 0 | 111.2 | M37 N78 | M37-S76 WeakPolarHBondContact O-CA 3.45Å; S76-N78 PolarHBondContact OG-OD1 2.62Å |
| 77 | V | 89.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.7 | 162.9 | -172.1 | 0 | 0 | 0 | 0 | 107.3 | S36 M37 I52 A54 V64 A66 L80 M88 | S36-V77 CarbonylContact C-O 3.53Å; S36-V77 WeakPolarHBondContact CA-O 3.34Å; S36-V77 WeakPolarHBondContact CB-O 3.01Å; M37-V77 PolarHBondContact N-O 2.02Å; M37-V77 PolarHBondContact O-N 3.08Å; I52-V77 HydrophobicContact CB-CG2 3.99Å; I52-V77 HydrophobicContact CG2-CG2 3.56Å; A54-V77 HydrophobicContact CB-CG1 3.97Å; V64-V77 HydrophobicContact CB-CG1 4.36Å; V64-V77 HydrophobicContact CG1-CG1 4.07Å; A66-V77 HydrophobicContact CB-CG2 4.3Å; V77-L80 HydrophobicContact CG1-CD2 3.93Å; V77-M88 HydrophobicContact CB-CE 4.06Å; V77-M88 HydrophobicContact CG2-CE 3.73Å |
| 78 | N | 88.6 | Confident | 88 | Confident | 92 Ų | 92 | 41.8 Ų | 41.8 | 49% | 0.492 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 173.8 | -177.8 | -57.9 | -28.8 | 0 | 0 | 0 | 110.5 | K35 S36 V64 S76 L80 | K35-N78 CarbonylContact O-C 3.56Å; S36-N78 WeakPolarHBondContact CB-OD1 3.44Å; V64-N78 WeakPolarHBondContact CG1-O 3.41Å; S76-N78 PolarHBondContact OG-OD1 2.62Å; N78-L80 VanDerWaalsContact C-N 3.26Å; N78-L80 PolarHBondContact O-N 2.85Å |
| 79 | S | 87.3 | Confident | 88 | Confident | 101 Ų | 101 | 42.3 Ų | 42.3 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 60.8 | 33.3 | -178.9 | -54.3 | 0 | 0 | 0 | 0 | 113.8 | K35 | K35-S79 PolarHBondContact O-N 2.72Š|
| 80 | L | 88.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 159.4 | 165.7 | -53.1 | -178.1 | 0 | 0 | 0 | 110 | K35 M37 A54 V64 V77 N78 Y86 T109 | K35-L80 WeakPolarHBondContact CA-O 3.42Å; K35-L80 PolarHBondContact O-N 2.94Å; M37-L80 HydrophobicContact CB-CD1 3.91Å; M37-L80 HydrophobicContact CG-CD1 3.64Å; M37-L80 HydrophobicContact SD-CD1 4.01Å; A54-L80 HydrophobicContact CB-CD2 3.63Å; V64-L80 HydrophobicContact CB-CD2 4.42Å; V77-L80 HydrophobicContact CG1-CD2 3.93Å; N78-L80 VanDerWaalsContact C-N 3.26Å; N78-L80 PolarHBondContact O-N 2.85Å; L80-Y86 HydrophobicContact CB-CE2 3.78Å; L80-Y86 HydrophobicContact CD1-CD2 4.35Å; L80-Y86 HydrophobicContact CD1-CE2 4.42Å; L80-Y86 HydrophobicContact CD2-CD1 4.23Å; L80-Y86 HydrophobicContact CD2-CE1 3.94Å; L80-Y86 HydrophobicContact CD2-CE2 4.22Å; L80-Y86 HydrophobicContact CG-CE2 4.36Å; L80-T109 HydrophobicContact CB-CG2 3.88Å; L80-T109 HydrophobicContact CD1-CG2 3.9Å |
| 81 | S | 88.4 | Confident | 88.5 | Confident | 25 Ų | 25 | 39.8 Ų | 39.8 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -93.5 | 146.8 | 174.9 | -75.2 | 0 | 0 | 0 | 0 | 111.7 | S34 E61 T84 Y86 T109 | S34-S81 CarbonylContact O-C 3.47Å; E61-S81 PolarHBondContact OE1-OG 2.66Å; E61-S81 WeakPolarHBondContact OE2-CB 3.12Å; E61-S81 PolarHBondContact OE2-OG 3.36Å; S81-T84 WeakPolarHBondContact O-CB 3.47Å; S81-T84 PolarHBondContact O-OG1 3.03Å; S81-Y86 PolarHBondContact N-OH 2.95Å; S81-T109 WeakPolarHBondContact O-CB 3.47Å; S81-T109 PolarHBondContact O-OG1 3.26Å |
| 82 | P | 88.6 | Confident | 88.7 | Confident | 33 Ų | 33 | 32.3 Ų | 32.3 | 21% | 0.214 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 156.3 | -180 | -19.6 | 31.7 | 0 | 0 | 0 | 113.6 | S34 T84 A110 D112 | S34-P82 VanDerWaalsContact O-CA 3.28Å; S34-P82 WeakPolarHBondContact O-CA 3.08Å; P82-T84 PolarHBondContact O-N 2.82Å; P82-T84 PolarHBondContact O-OG1 2.86Å; P82-A110 WeakPolarHBondContact CA-O 3.47Å; P82-D112 HydrophobicContact CB-CB 3.77Å; P82-D112 HydrophobicContact CG-CB 3.78Å |
| 83 | N | 87.8 | Confident | 88.8 | Confident | 52 Ų | 52 | 31.1 Ų | 31.1 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 31.6 | 178.5 | -166.4 | 53.5 | 0 | 0 | 0 | 115 | N58 T109 A110 G136 N181 | N58-N83 PolarHBondContact ND2-O 3.33Å; N83-T109 PolarHBondContact N-OG1 2.94Å; N83-T109 VanDerWaalsContact N-OG1 3.12Å; N83-A110 PolarHBondContact N-O 3Å; N83-G136 WeakPolarHBondContact ND2-CA 3.45Å; N83-N181 PolarHBondContact OD1-ND2 2.8Å |
| 84 | T | 87.9 | Confident | 88.6 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | trans | -112.9 | 129.8 | -173 | -62.3 | 0 | 0 | 0 | 0 | 108.9 | P56 N58 S81 P82 Y86 T108 T109 | P56-T84 HydrophobicContact CB-CG2 3.84Å; N58-T84 WeakPolarHBondContact OD1-CA 3.18Å; N58-T84 WeakPolarHBondContact OD1-CG2 3.05Å; S81-T84 WeakPolarHBondContact O-CB 3.47Å; S81-T84 PolarHBondContact O-OG1 3.03Å; P82-T84 PolarHBondContact O-N 2.82Å; P82-T84 PolarHBondContact O-OG1 2.86Å; T84-Y86 HydrophobicContact CG2-CD2 4Å; T84-Y86 HydrophobicContact CG2-CE1 4.35Å; T84-Y86 HydrophobicContact CG2-CE2 3.44Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.44Å; T84-Y86 WeakPolarHBondContact O-CD2 3.35Å; T84-Y86 PolarHBondContact O-N 2.92Å; T84-T108 WeakPolarHBondContact O-CA 3.32Å; T84-T109 PolarHBondContact N-OG1 2.86Å; T84-T109 PolarHBondContact O-N 2.84Å; T84-T109 PolarHBondContact O-OG1 3.46Å | ||
| 85 | V | 89 | Confident | 88.2 | Confident | 38 Ų | 38 | 33.4 Ų | 33.4 | 23% | 0.23 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.7 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | K57 N58 V106 E107 T108 | K57-V85 HydrophobicContact CB-CB 4.37Å; K57-V85 HydrophobicContact CB-CG1 4.34Å; K57-V85 HydrophobicContact CD-CG1 4.45Å; K57-V85 PolarHBondContact N-O 2.96Å; N58-V85 PolarHBondContact OD1-N 2.9Å; V85-V106 HydrophobicContact CG1-CG1 3.59Å; V85-E107 CarbonylContact C-O 3.59Å; V85-E107 WeakPolarHBondContact CA-O 3.25Å; V85-T108 HydrophobicContact CG2-CG2 4.04Å |
| 86 | Y | 88.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.5 | 176.4 | -74.8 | -86.2 | 0 | 0 | 0 | 110.8 | A54 T55 P56 L80 S81 T84 V106 E107 T109 | A54-Y86 HydrophobicContact CB-CD1 3.85Å; A54-Y86 HydrophobicContact CB-CE1 4.44Å; A54-Y86 HydrophobicContact CB-CG 4.43Å; T55-Y86 WeakPolarHBondContact O-CA 3.4Å; P56-Y86 HydrophobicContact CB-CD1 4.08Å; P56-Y86 HydrophobicContact CB-CE1 3.66Å; P56-Y86 HydrophobicContact CG-CE1 4.12Å; L80-Y86 HydrophobicContact CB-CE2 3.78Å; L80-Y86 HydrophobicContact CD1-CD2 4.35Å; L80-Y86 HydrophobicContact CD1-CE2 4.42Å; L80-Y86 HydrophobicContact CD2-CD1 4.23Å; L80-Y86 HydrophobicContact CD2-CE1 3.94Å; L80-Y86 HydrophobicContact CD2-CE2 4.22Å; L80-Y86 HydrophobicContact CG-CE2 4.36Å; S81-Y86 PolarHBondContact N-OH 2.95Å; T84-Y86 HydrophobicContact CG2-CD2 4Å; T84-Y86 HydrophobicContact CG2-CE1 4.35Å; T84-Y86 HydrophobicContact CG2-CE2 3.44Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.44Å; T84-Y86 WeakPolarHBondContact O-CD2 3.35Å; T84-Y86 PolarHBondContact O-N 2.92Å; Y86-V106 WeakPolarHBondContact O-CA 3.47Å; Y86-E107 PolarHBondContact N-O 3.16Å; Y86-E107 PolarHBondContact O-N 2.89Å; Y86-E107 VanDerWaalsContact O-N 3.08Å; Y86-T109 HydrophobicContact CD2-CG2 3.93Å; Y86-T109 HydrophobicContact CE2-CG2 3.88Å |
| 87 | T | 89.7 | Confident | 87.3 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 113.7 | 160.3 | -49.2 | 0 | 0 | 0 | 0 | 107 | T55 K57 V106 | T55-T87 PolarHBondContact N-O 2.84Å; T55-T87 PolarHBondContact O-N 3.09Å; K57-T87 VanDerWaalsContact CD-OG1 3.23Å; K57-T87 WeakPolarHBondContact CD-OG1 3.34Å; K57-T87 WeakPolarHBondContact CE-OG1 3.23Å; K57-T87 PolarHBondContact NZ-OG1 2.68Å; T87-V106 HydrophobicContact CG2-CG2 4.22Å |
| 88 | M | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 106.1 | -179.9 | -57.8 | -60.8 | -72.9 | 0 | 0 | 107.5 | L27 M37 V39 I52 A54 V77 E104 T105 | L27-M88 HydrophobicContact CD2-CB 4.26Å; L27-M88 VanDerWaalsContact CD2-O 3.27Å; L27-M88 WeakPolarHBondContact CD2-O 3.27Å; M37-M88 HydrophobicContact CB-CE 4.14Å; M37-M88 HydrophobicContact SD-CE 4.37Å; M37-M88 HydrophobicContact SD-CG 4.14Å; M37-M88 HydrophobicContact SD-SD 3.89Å; V39-M88 HydrophobicContact CG1-CE 4.02Å; I52-M88 HydrophobicContact CG2-CE 3.91Å; A54-M88 HydrophobicContact CB-CE 3.96Å; A54-M88 HydrophobicContact CB-SD 3.41Å; A54-M88 WeakPolarHBondContact CB-SD 3.27Å; V77-M88 HydrophobicContact CB-CE 4.06Å; V77-M88 HydrophobicContact CG2-CE 3.73Å; M88-E104 VanDerWaalsContact O-CA 3.32Å; M88-E104 WeakPolarHBondContact O-CA 3.23Å; M88-T105 HydrophobicContact CB-CG2 3.95Å; M88-T105 HydrophobicContact CG-CG2 4.46Å; M88-T105 PolarHBondContact N-O 3.27Å; M88-T105 PolarHBondContact O-N 3.1Å |
| 89 | Q | 89.9 | Confident | 86.8 | Confident | 55 Ų | 55 | 43.5 Ų | 43.5 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.9 | 178.1 | -172.8 | 177.2 | 34.3 | 0 | 0 | 109.6 | I52 T53 E91 A103 E104 | I52-Q89 CarbonylContact C-O 3.54Å; I52-Q89 WeakPolarHBondContact CA-O 3.42Å; T53-Q89 PolarHBondContact N-O 3.05Å; T53-Q89 PolarHBondContact O-N 3.17Å; Q89-E91 HydrophobicContact CG-CG 4.39Å; Q89-A103 WeakPolarHBondContact CA-O 3.06Å; Q89-E104 HydrophobicContact CB-CG 3.91Å; Q89-E104 HydrophobicContact CG-CG 3.74Å; Q89-E104 PolarHBondContact NE2-OE1 2.79Å |
| 90 | L | 89.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.9 | 171.2 | 174.8 | 72.8 | 0 | 0 | 0 | 109 | I25 L27 W41 Y50 I52 S102 A103 | I25-L90 HydrophobicContact CD1-CD2 3.49Å; I25-L90 VanDerWaalsContact CD1-CD2 3.49Å; I25-L90 HydrophobicContact CD1-CG 4.22Å; I25-L90 HydrophobicContact CG1-CD2 3.88Å; L27-L90 HydrophobicContact CB-CD2 4.4Å; L27-L90 HydrophobicContact CD1-CB 4.24Å; L27-L90 HydrophobicContact CD1-CD2 4.27Å; L27-L90 HydrophobicContact CD2-CB 3.93Å; L27-L90 HydrophobicContact CG-CB 4.48Å; W41-L90 HydrophobicContact CB-CD2 3.4Å; W41-L90 VanDerWaalsContact CB-CD2 3.4Å; W41-L90 HydrophobicContact CD2-CD1 4.12Å; W41-L90 HydrophobicContact CD2-CD2 4.27Å; W41-L90 HydrophobicContact CG-CD1 4.23Å; W41-L90 HydrophobicContact CG-CD2 3.58Å; Y50-L90 HydrophobicContact CD1-CD1 4.14Å; Y50-L90 HydrophobicContact CG-CD1 4.33Å; I52-L90 HydrophobicContact CD1-CD1 4.16Å; I52-L90 HydrophobicContact CG1-CB 4.46Å; I52-L90 HydrophobicContact CG1-CD1 3.5Å; L90-S102 CarbonylContact O-C 3.59Å; L90-S102 WeakPolarHBondContact O-CA 3.2Å; L90-S102 WeakPolarHBondContact O-CB 3.28Å; L90-A103 PolarHBondContact N-O 3.2Å; L90-A103 PolarHBondContact O-N 2.97Å |
| 91 | E | 89.7 | Confident | 86.5 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.4 | 174.1 | -61.7 | 178 | 121.8 | 0 | 0 | 108.6 | Y50 K51 Q89 M93 V99 | Y50-E91 WeakPolarHBondContact CA-O 3.09Å; K51-E91 PolarHBondContact N-O 3.14Å; K51-E91 IonicContact NZ-OE2 2.78Å; K51-E91 PolarHBondContact NZ-OE2 2.86Å; K51-E91 PolarHBondContact O-N 3.12Å; Q89-E91 HydrophobicContact CG-CG 4.39Å; E91-M93 HydrophobicContact CB-CE 3.85Å; E91-M93 WeakPolarHBondContact OE2-CE 3.07Å; E91-V99 HydrophobicContact CB-CG1 4.15Å; E91-V99 HydrophobicContact CB-CG2 4.19Å; E91-V99 HydrophobicContact CG-CG1 4.38Å; E91-V99 HydrophobicContact CG-CG2 4.33Å |
| 92 | A | 87.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | I25 H44 A47 Y50 V99 L100 S101 | I25-A92 HydrophobicContact CD1-CB 4Å; H44-A92 HydrophobicContact CB-CB 4.27Å; A47-A92 HydrophobicContact CB-CB 4.01Å; Y50-A92 HydrophobicContact CD1-CB 3.86Å; Y50-A92 HydrophobicContact CE1-CB 3.68Å; A92-V99 CarbonylContact O-C 3.57Å; A92-V99 WeakPolarHBondContact O-CA 3.32Å; A92-L100 PolarHBondContact O-N 3.47Å; A92-S101 PolarHBondContact N-O 3.21Å |
| 93 | M | 88.4 | Confident | 86.5 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142 | -169.4 | -66.7 | -179.8 | 169.8 | 0 | 0 | 112.9 | A47 S48 S49 K51 E91 L97 N98 V99 | A47-M93 CarbonylContact C-O 3.55Å; A47-M93 WeakPolarHBondContact CA-O 3.49Å; S48-M93 PolarHBondContact N-O 2.67Å; S48-M93 PolarHBondContact OG-O 3.13Å; S49-M93 PolarHBondContact N-O 3.18Å; S49-M93 PolarHBondContact O-N 2.72Å; K51-M93 HydrophobicContact CB-CE 3.89Å; K51-M93 HydrophobicContact CB-SD 3.98Å; K51-M93 HydrophobicContact CD-CE 3.66Å; K51-M93 HydrophobicContact CD-SD 4.4Å; K51-M93 HydrophobicContact CG-CE 4.44Å; E91-M93 HydrophobicContact CB-CE 3.85Å; E91-M93 WeakPolarHBondContact OE2-CE 3.07Å; M93-L97 HydrophobicContact SD-CD2 4.24Å; M93-N98 VanDerWaalsContact CA-O 3.31Å; M93-N98 WeakPolarHBondContact CA-O 3.44Å; M93-V99 HydrophobicContact CE-CG2 4.08Å |
| 94 | D | 84.4 | Confident | 86.5 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | trans | -79.4 | 179.9 | 170.9 | 75.4 | 5.5 | 0 | 0 | 0 | 112.9 | S48 A96 L97 N98 L100 | S48-D94 PolarHBondContact OG-O 3.1Å; D94-A96 PolarHBondContact O-N 3.23Å; D94-A96 VanDerWaalsContact O-N 3.16Å; D94-A96 VanDerWaalsContact OD1-C 3.22Å; D94-A96 VanDerWaalsContact OD1-CA 3.27Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.47Å; D94-A96 PolarHBondContact OD1-N 2.05Å; D94-L97 PolarHBondContact O-N 3.39Å; D94-L97 PolarHBondContact OD1-N 3.44Å; D94-N98 PolarHBondContact N-O 3.02Å; D94-N98 VanDerWaalsContact N-O 3.1Å; D94-N98 PolarHBondContact OD1-N 3.15Å; D94-N98 PolarHBondContact OD1-ND2 2.87Å; D94-N98 PolarHBondContact OD2-ND2 2.04Å; D94-L100 HydrophobicContact CB-CD1 4.07Å; D94-L100 HydrophobicContact CB-CD2 4.14Å; D94-L100 HydrophobicContact CB-CG 4.17Å | ||
| 95 | N | 82.1 | Confident | 86.6 | Confident | 149 Ų | 149 | 45.8 Ų | 45.8 | 80% | 0.797 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.1 | 176.7 | -75.7 | -21.7 | 0 | 0 | 0 | 114.7 | S48 | S48-N95 WeakPolarHBondContact CB-OD1 3.24Å; S48-N95 PolarHBondContact OG-N 2.83Å; S48-N95 PolarHBondContact OG-OD1 2.83Å |
| 96 | A | 82.3 | Confident | 86.6 | Confident | 71 Ų | 71 | 47.3 Ų | 47.3 | 59% | 0.587 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 8.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D94 N98 | D94-A96 PolarHBondContact O-N 3.23Å; D94-A96 VanDerWaalsContact O-N 3.16Å; D94-A96 VanDerWaalsContact OD1-C 3.22Å; D94-A96 VanDerWaalsContact OD1-CA 3.27Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.47Å; D94-A96 PolarHBondContact OD1-N 2.05Å; A96-N98 VanDerWaalsContact C-N 3.27Å; A96-N98 PolarHBondContact O-N 3.4Å |
| 97 | L | 76.9 | Confident | 86.5 | Confident | 111 Ų | 111 | 50.4 Ų | 50.4 | 58% | 0.581 | 28% | 0.28 | S | S | * | . | trans | 64.4 | 21.7 | -177.4 | -56.4 | 170.3 | 0 | 0 | 0 | 114.6 | M93 D94 | M93-L97 HydrophobicContact SD-CD2 4.24Å; D94-L97 PolarHBondContact O-N 3.39Å; D94-L97 PolarHBondContact OD1-N 3.44Å | ||
| 98 | N | 83 | Confident | 86.5 | Confident | 93 Ų | 93 | 51.1 Ų | 51.1 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | trans | -75.8 | 137.3 | 169.8 | -55.1 | -61.7 | 0 | 0 | 0 | 110.1 | M93 D94 A96 L100 | M93-N98 VanDerWaalsContact CA-O 3.31Å; M93-N98 WeakPolarHBondContact CA-O 3.44Å; D94-N98 PolarHBondContact N-O 3.02Å; D94-N98 VanDerWaalsContact N-O 3.1Å; D94-N98 PolarHBondContact OD1-N 3.15Å; D94-N98 PolarHBondContact OD1-ND2 2.87Å; D94-N98 PolarHBondContact OD2-ND2 2.04Å; A96-N98 VanDerWaalsContact C-N 3.27Å; A96-N98 PolarHBondContact O-N 3.4Å; N98-L100 PolarHBondContact O-N 2.86Å | ||
| 99 | V | 84.8 | Confident | 86.5 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 42% | 0.424 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 114.8 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | E91 A92 M93 | E91-V99 HydrophobicContact CB-CG1 4.15Å; E91-V99 HydrophobicContact CB-CG2 4.19Å; E91-V99 HydrophobicContact CG-CG1 4.38Å; E91-V99 HydrophobicContact CG-CG2 4.33Å; A92-V99 CarbonylContact O-C 3.57Å; A92-V99 WeakPolarHBondContact O-CA 3.32Å; M93-V99 HydrophobicContact CE-CG2 4.08Å |
| 100 | L | 84.7 | Confident | 86.5 | Confident | 77 Ų | 77 | 48.5 Ų | 48.5 | 40% | 0.403 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -39.4 | 177.8 | -63.6 | 175.8 | 0 | 0 | 0 | 112.3 | G46 A47 A92 D94 N98 | G46-L100 WeakPolarHBondContact O-CD1 3.47Å; A47-L100 HydrophobicContact CB-CD1 4.33Å; A92-L100 PolarHBondContact O-N 3.47Å; D94-L100 HydrophobicContact CB-CD1 4.07Å; D94-L100 HydrophobicContact CB-CD2 4.14Å; D94-L100 HydrophobicContact CB-CG 4.17Å; N98-L100 PolarHBondContact O-N 2.86Å |
| 101 | S | 84.9 | Confident | 86.6 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 150.7 | -177.2 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | D24 I25 A92 | D24-S101 PolarHBondContact N-OG 3.35Å; I25-S101 WeakPolarHBondContact CG2-OG 3.46Å; A92-S101 PolarHBondContact N-O 3.21Å |
| 102 | S | 87.6 | Confident | 86.7 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.4 | 177.9 | 66 | 0 | 0 | 0 | 0 | 113 | N23 L90 | N23-S102 PolarHBondContact ND2-O 2.96Å; N23-S102 VanDerWaalsContact ND2-O 3.11Å; L90-S102 CarbonylContact O-C 3.59Å; L90-S102 WeakPolarHBondContact O-CA 3.2Å; L90-S102 WeakPolarHBondContact O-CB 3.28Å |
| 103 | A | 88.2 | Confident | 86.8 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 147.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I25 L27 Q89 L90 | I25-A103 HydrophobicContact CG2-CB 3.76Å; I25-A103 WeakPolarHBondContact O-CB 3.36Å; L27-A103 HydrophobicContact CB-CB 3.88Å; Q89-A103 WeakPolarHBondContact CA-O 3.06Å; L90-A103 PolarHBondContact N-O 3.2Å; L90-A103 PolarHBondContact O-N 2.97Å |
| 104 | E | 89.3 | Confident | 87 | Confident | 118 Ų | 118 | 51.4 Ų | 51.4 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.7 | 179.4 | -71.9 | -178.6 | -161.7 | 0 | 0 | 111.3 | M88 Q89 | M88-E104 VanDerWaalsContact O-CA 3.32Å; M88-E104 WeakPolarHBondContact O-CA 3.23Å; Q89-E104 HydrophobicContact CB-CG 3.91Å; Q89-E104 HydrophobicContact CG-CG 3.74Å; Q89-E104 PolarHBondContact NE2-OE1 2.79Å |
| 105 | T | 88.4 | Confident | 87.4 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 161.2 | 162.9 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | L27 V29 M88 | L27-T105 HydrophobicContact CD2-CG2 3.9Å; L27-T105 HydrophobicContact CG-CG2 4.08Å; V29-T105 HydrophobicContact CG2-CG2 3.8Å; M88-T105 HydrophobicContact CB-CG2 3.95Å; M88-T105 HydrophobicContact CG-CG2 4.46Å; M88-T105 PolarHBondContact N-O 3.27Å; M88-T105 PolarHBondContact O-N 3.1Å |
| 106 | V | 88.7 | Confident | 88 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.7 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | K57 V85 Y86 T87 | K57-V106 HydrophobicContact CD-CG1 4.49Å; V85-V106 HydrophobicContact CG1-CG1 3.59Å; Y86-V106 WeakPolarHBondContact O-CA 3.47Å; T87-V106 HydrophobicContact CG2-CG2 4.22Å |
| 107 | E | 87.8 | Confident | 88.6 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 164 | 178.3 | -68.9 | -57.7 | 164.1 | 0 | 0 | 111 | V29 M37 V85 Y86 | V29-E107 HydrophobicContact CB-CG 4.04Å; V29-E107 HydrophobicContact CG1-CG 4.39Å; V29-E107 HydrophobicContact CG2-CB 4.49Å; V29-E107 HydrophobicContact CG2-CG 3.45Å; V29-E107 VanDerWaalsContact CG2-CG 3.45Å; M37-E107 HydrophobicContact CE-CB 3.57Å; M37-E107 HydrophobicContact SD-CB 4.08Å; V85-E107 CarbonylContact C-O 3.59Å; V85-E107 WeakPolarHBondContact CA-O 3.25Å; Y86-E107 PolarHBondContact N-O 3.16Å; Y86-E107 PolarHBondContact O-N 2.89Å; Y86-E107 VanDerWaalsContact O-N 3.08Å |
| 108 | T | 89.8 | Confident | 89.3 | Confident | 28 Ų | 28 | 48.6 Ų | 48.6 | 17% | 0.172 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.8 | 176 | -46.1 | 0 | 0 | 0 | 0 | 109.1 | V32 M37 T84 V85 G183 | V32-T108 WeakPolarHBondContact CG1-O 3.29Å; M37-T108 WeakPolarHBondContact CE-O 3.05Å; T84-T108 WeakPolarHBondContact O-CA 3.32Å; V85-T108 HydrophobicContact CG2-CG2 4.04Å; T108-G183 WeakPolarHBondContact O-CA 2.95Å |
| 109 | T | 89.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -66 | 155.1 | 169.8 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | M37 L80 S81 N83 T84 Y86 N181 | M37-T109 HydrophobicContact CE-CG2 3.81Å; L80-T109 HydrophobicContact CB-CG2 3.88Å; L80-T109 HydrophobicContact CD1-CG2 3.9Å; S81-T109 WeakPolarHBondContact O-CB 3.47Å; S81-T109 PolarHBondContact O-OG1 3.26Å; N83-T109 PolarHBondContact N-OG1 2.94Å; N83-T109 VanDerWaalsContact N-OG1 3.12Å; T84-T109 PolarHBondContact N-OG1 2.86Å; T84-T109 PolarHBondContact O-N 2.84Å; T84-T109 PolarHBondContact O-OG1 3.46Å; Y86-T109 HydrophobicContact CD2-CG2 3.93Å; Y86-T109 HydrophobicContact CE2-CG2 3.88Å; T109-N181 PolarHBondContact O-ND2 3.46Å |
| 110 | A | 89.4 | Confident | 90.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 160.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T33 P82 N83 R185 | T33-A110 PolarHBondContact O-N 3.38Å; P82-A110 WeakPolarHBondContact CA-O 3.47Å; N83-A110 PolarHBondContact N-O 3Å; A110-R185 WeakPolarHBondContact CB-O 3.5Å |
| 111 | P | 91.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 169.1 | 175.6 | -9 | 26.1 | 0 | 0 | 0 | 110.7 | S34 V134 A137 S179 N181 | S34-P111 WeakPolarHBondContact CB-O 3.49Å; P111-V134 HydrophobicContact CB-CG2 3.81Å; P111-A137 HydrophobicContact CB-CB 4.15Å; P111-A137 HydrophobicContact CG-CB 3.95Å; P111-S179 WeakPolarHBondContact CB-OG 3.39Å; P111-S179 PolarHBondContact O-OG 2.93Å; P111-N181 HydrophobicContact CG-CB 3.76Å |
| 112 | D | 91.4 | Very high | 90.7 | Very high | 68 Ų | 68 | 48 Ų | 48 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 166 | -179.1 | -153.1 | 2.3 | 0 | 0 | 0 | 111.8 | P82 P114 V134 S179 | P82-D112 HydrophobicContact CB-CB 3.77Å; P82-D112 HydrophobicContact CG-CB 3.78Å; D112-P114 WeakPolarHBondContact O-CD 3.22Å; D112-V134 WeakPolarHBondContact O-CG2 3.45Å; D112-S179 WeakPolarHBondContact O-CB 3.41Å; D112-S179 PolarHBondContact O-OG 2.98Å |
| 113 | V | 90.6 | Very high | 90.9 | Very high | 35 Ų | 35 | 50 Ų | 50 | 21% | 0.212 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 120.4 | -178.5 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | Q187 | V113-Q187 HydrophobicContact CG2-CG 3.31Š|
| 114 | P | 93.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -69 | 149.2 | 175.1 | 12.1 | -5.5 | 0 | 0 | 0 | 111.3 | D112 F131 A132 V134 Y140 V177 S189 | D112-P114 WeakPolarHBondContact O-CD 3.22Å; P114-F131 HydrophobicContact CB-CD2 4.34Å; P114-A132 WeakPolarHBondContact CB-O 3.47Å; P114-V134 HydrophobicContact CB-CG1 4.07Å; P114-Y140 HydrophobicContact CB-CE1 4.25Å; P114-Y140 HydrophobicContact CG-CD1 3.97Å; P114-Y140 HydrophobicContact CG-CE1 4.02Å; P114-V177 HydrophobicContact CB-CG1 3.95Å; P114-V177 HydrophobicContact CG-CB 4.45Å; P114-V177 HydrophobicContact CG-CG1 3.87Å; P114-V177 HydrophobicContact CG-CG2 4.03Å; P114-S189 WeakPolarHBondContact O-CB 3.36Å |
| 115 | T | 92.7 | Very high | 91.3 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 52% | 0.515 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -97 | 137.6 | 170.8 | 51.6 | 0 | 0 | 0 | 0 | 110 | F131 A132 | T115-F131 CarbonylContact O-C 3.57Å; T115-F131 WeakPolarHBondContact O-CA 3.42Å; T115-F131 VanDerWaalsContact O-CB 3.24Å; T115-F131 WeakPolarHBondContact O-CB 3.47Å; T115-A132 PolarHBondContact O-N 2.81Å; T115-A132 WeakPolarHBondContact OG1-CB 3.1Å |
| 116 | I | 94.8 | Very high | 91.6 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.5 | 170.4 | -60.7 | 176 | 0 | 0 | 0 | 108.2 | V129 L175 V177 I192 | I116-V129 HydrophobicContact CB-CG1 4.31Å; I116-V129 HydrophobicContact CD1-CG1 3.97Å; I116-V129 HydrophobicContact CG1-CG1 3.92Å; I116-V129 HydrophobicContact CG2-CG1 3.52Å; I116-L175 WeakPolarHBondContact CD1-O 3.19Å; I116-V177 HydrophobicContact CD1-CG1 4.23Å; I116-V177 HydrophobicContact CG1-CG1 3.63Å; I116-I192 HydrophobicContact CB-CG2 4.5Å; I116-I192 HydrophobicContact CD1-CG2 3.87Å; I116-I192 HydrophobicContact CG2-CD1 4.47Å; I116-I192 HydrophobicContact CG2-CG2 3.88Å |
| 117 | D | 93.6 | Very high | 91.9 | Very high | 103 Ų | 103 | 43.8 Ų | 43.8 | 55% | 0.551 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -44.1 | 178.1 | -53.9 | -46.6 | 0 | 0 | 0 | 110 | E130 F131 A132 | D117-E130 PolarHBondContact N-O 3.05Å; D117-F131 WeakPolarHBondContact OD2-CA 3.34Å; D117-A132 PolarHBondContact OD2-N 2.87Å; D117-A132 VanDerWaalsContact OD2-N 3.1Å |
| 118 | Q | 93 | Very high | 92.2 | Very high | 94 Ų | 94 | 41.6 Ų | 41.6 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 157.1 | 170.5 | 57.8 | 179.6 | -8.1 | 0 | 0 | 112.5 | Y120 E130 | Q118-Y120 HydrophobicContact CG-CD1 4.42Å; Q118-Y120 HydrophobicContact CG-CE1 4.45Å; Q118-E130 HydrophobicContact CG-CB 3.89Å; Q118-E130 HydrophobicContact CG-CG 4.49Å; Q118-E130 PolarHBondContact N-O 2.91Å; Q118-E130 VanDerWaalsContact N-O 3.16Å; Q118-E130 PolarHBondContact NE2-OE2 2.85Å; Q118-E130 PolarHBondContact O-N 2.94Å |
| 119 | A | 93.4 | Very high | 92.5 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 17% | 0.165 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I127 T128 V129 L175 I192 A194 | A119-I127 HydrophobicContact CB-CG2 4.33Å; A119-T128 WeakPolarHBondContact CA-O 3.46Å; A119-V129 HydrophobicContact CB-CG1 4.4Å; A119-V129 HydrophobicContact CB-CG2 4.12Å; A119-L175 HydrophobicContact CB-CD1 4.32Å; A119-I192 HydrophobicContact CB-CG2 3.68Å; A119-A194 HydrophobicContact CB-CB 4.03Å |
| 120 | Y | 92.1 | Very high | 92.8 | Very high | 62 Ų | 62 | 42.7 Ų | 42.7 | 24% | 0.243 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 149.7 | 179.5 | 58.2 | -99.4 | 0 | 0 | 0 | 111.8 | Q118 K122 T128 E130 | Q118-Y120 HydrophobicContact CG-CD1 4.42Å; Q118-Y120 HydrophobicContact CG-CE1 4.45Å; Y120-K122 HydrophobicContact CD2-CD 4.39Å; Y120-K122 HydrophobicContact CD2-CG 4.08Å; Y120-K122 HydrophobicContact CE2-CD 3.91Å; Y120-K122 VanDerWaalsContact CE2-CE 3.42Å; Y120-K122 HydrophobicContact CE2-CG 4.11Å; Y120-T128 HydrophobicContact CE2-CG2 4.2Å; Y120-T128 PolarHBondContact N-O 2.75Å; Y120-T128 PolarHBondContact O-N 2.65Å; Y120-E130 WeakPolarHBondContact CE1-OE1 3.4Å; Y120-E130 PolarHBondContact OH-OE1 2.79Å |
| 121 | S | 92.9 | Very high | 93.1 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 141.1 | 169.8 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | N123 S126 R195 T196 V197 | S121-N123 PolarHBondContact OG-N 3.09Å; S121-N123 PolarHBondContact OG-O 2.9Å; S121-S126 WeakPolarHBondContact CB-O 3.01Å; S121-S126 PolarHBondContact OG-O 3.33Å; S121-R195 WeakPolarHBondContact CB-O 3.46Å; S121-T196 WeakPolarHBondContact OG-CA 2.99Å; S121-V197 PolarHBondContact OG-N 3.17Å |
| 122 | K | 87.9 | Confident | 93.2 | Very high | 133 Ų | 133 | 44.5 Ų | 44.5 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -11.1 | 167.8 | -75.3 | 175.6 | 177.1 | 160.2 | 0 | 112.6 | Y120 | Y120-K122 HydrophobicContact CD2-CD 4.39Å; Y120-K122 HydrophobicContact CD2-CG 4.08Å; Y120-K122 HydrophobicContact CE2-CD 3.91Å; Y120-K122 VanDerWaalsContact CE2-CE 3.42Å; Y120-K122 HydrophobicContact CE2-CG 4.11Å |
| 123 | N | 91.7 | Very high | 93.2 | Very high | 74 Ų | 74 | 47 Ų | 47 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146.5 | -172.8 | -67.5 | 100.6 | 0 | 0 | 0 | 109.6 | S121 D125 S126 V197 D274 | S121-N123 PolarHBondContact OG-N 3.09Å; S121-N123 PolarHBondContact OG-O 2.9Å; N123-D125 PolarHBondContact O-N 2.87Å; N123-D125 VanDerWaalsContact O-N 3.1Å; N123-S126 WeakPolarHBondContact CB-OG 3.4Å; N123-S126 PolarHBondContact O-N 3.22Å; N123-S126 VanDerWaalsContact O-O 3.07Å; N123-V197 VanDerWaalsContact C-CG2 3.46Å; N123-D274 WeakPolarHBondContact CA-OD1 3.42Å; N123-D274 WeakPolarHBondContact CB-OD1 3.36Å; N123-D274 PolarHBondContact ND2-OD1 2.97Å |
| 124 | S | 92.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16.4 | -170.5 | 65.6 | 0 | 0 | 0 | 0 | 114.4 | Q168 P169 T196 V197 D274 | S124-Q168 CarbonylContact O-C 3.47Å; S124-P169 VanDerWaalsContact O-CA 3.24Å; S124-P169 WeakPolarHBondContact O-CA 3.21Å; S124-T196 VanDerWaalsContact O-CB 3.3Å; S124-T196 WeakPolarHBondContact O-CB 3.1Å; S124-T196 WeakPolarHBondContact O-CG2 3.23Å; S124-V197 WeakPolarHBondContact CA-O 3.4Å; S124-V197 WeakPolarHBondContact CB-O 3.42Å; S124-D274 WeakPolarHBondContact CB-OD2 3.37Å; S124-D274 PolarHBondContact N-OD1 2.99Å; S124-D274 PolarHBondContact N-OD2 2.84Å; S124-D274 PolarHBondContact OG-OD2 2.85Å |
| 125 | D | 93.2 | Very high | 92.9 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 41% | 0.406 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 4.1 | -178.3 | 74.9 | -15.6 | 0 | 0 | 0 | 114.2 | N123 V165 G166 L167 | N123-D125 PolarHBondContact O-N 2.87Å; N123-D125 VanDerWaalsContact O-N 3.1Å; D125-V165 CarbonylContact O-C 3.6Å; D125-G166 PolarHBondContact O-N 2.81Å; D125-L167 WeakPolarHBondContact CA-O 3.34Å; D125-L167 WeakPolarHBondContact O-CB 2.91Å; D125-L167 PolarHBondContact O-N 2.81Å |
| 126 | S | 94.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 151.8 | -169.3 | 47.1 | 0 | 0 | 0 | 0 | 115.9 | S121 N123 V164 | S121-S126 WeakPolarHBondContact CB-O 3.01Å; S121-S126 PolarHBondContact OG-O 3.33Å; N123-S126 WeakPolarHBondContact CB-OG 3.4Å; N123-S126 PolarHBondContact O-N 3.22Å; N123-S126 VanDerWaalsContact O-O 3.07Å; S126-V164 WeakPolarHBondContact CA-O 3.39Å; S126-V164 WeakPolarHBondContact CB-O 3.41Å |
| 127 | I | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.4 | 176 | -65.1 | 168.3 | 0 | 0 | 0 | 108.9 | A119 V129 T163 V164 L167 Y173 L175 A194 T196 | A119-I127 HydrophobicContact CB-CG2 4.33Å; I127-V129 HydrophobicContact CG2-CG2 4.39Å; I127-T163 CarbonylContact O-C 3.59Å; I127-T163 WeakPolarHBondContact O-CA 3.47Å; I127-V164 PolarHBondContact N-O 2.85Å; I127-V164 PolarHBondContact O-N 2.91Å; I127-L167 HydrophobicContact CB-CD1 4Å; I127-L167 HydrophobicContact CD1-CD1 3.71Å; I127-L167 HydrophobicContact CG1-CD1 3.66Å; I127-Y173 HydrophobicContact CD1-CD2 3.89Å; I127-Y173 HydrophobicContact CD1-CG 4.3Å; I127-L175 HydrophobicContact CB-CD2 3.95Å; I127-L175 HydrophobicContact CD1-CD1 4.16Å; I127-L175 HydrophobicContact CD1-CD2 4.29Å; I127-L175 HydrophobicContact CG2-CD1 4.1Å; I127-L175 HydrophobicContact CG2-CD2 3.51Å; I127-L175 HydrophobicContact CG2-CG 4.48Å; I127-A194 HydrophobicContact CD1-CB 4.3Å; I127-A194 WeakPolarHBondContact CD1-O 3.08Å; I127-A194 HydrophobicContact CG2-CB 4.17Å; I127-T196 HydrophobicContact CD1-CG2 4.12Å; I127-T196 HydrophobicContact CG1-CG2 3.93Å |
| 128 | T | 95.1 | Very high | 92.3 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 134.3 | 173.3 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | A119 Y120 P161 G162 T163 | A119-T128 WeakPolarHBondContact CA-O 3.46Å; Y120-T128 HydrophobicContact CE2-CG2 4.2Å; Y120-T128 PolarHBondContact N-O 2.75Å; Y120-T128 PolarHBondContact O-N 2.65Å; T128-P161 HydrophobicContact CG2-CB 3.75Å; T128-G162 CarbonylContact C-O 3.57Å; T128-G162 WeakPolarHBondContact CA-O 3.32Å; T128-T163 PolarHBondContact OG1-OG1 3.48Å |
| 129 | V | 95.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.6 | 179 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | I116 A119 I127 F131 L142 P161 G162 L175 | I116-V129 HydrophobicContact CB-CG1 4.31Å; I116-V129 HydrophobicContact CD1-CG1 3.97Å; I116-V129 HydrophobicContact CG1-CG1 3.92Å; I116-V129 HydrophobicContact CG2-CG1 3.52Å; A119-V129 HydrophobicContact CB-CG1 4.4Å; A119-V129 HydrophobicContact CB-CG2 4.12Å; I127-V129 HydrophobicContact CG2-CG2 4.39Å; V129-F131 HydrophobicContact CG1-CD1 4.34Å; V129-L142 HydrophobicContact CB-CD2 3.69Å; V129-L142 HydrophobicContact CG2-CD2 3.84Å; V129-P161 WeakPolarHBondContact O-CA 3.17Å; V129-G162 PolarHBondContact N-O 3.21Å; V129-G162 PolarHBondContact O-N 2.01Å; V129-L175 HydrophobicContact CG2-CB 4.36Å; V129-L175 HydrophobicContact CG2-CD2 3.62Å |
| 130 | E | 95.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.3 | 170.1 | -74.5 | 168.8 | -150.4 | 0 | 0 | 108 | D117 Q118 Y120 P161 | D117-E130 PolarHBondContact N-O 3.05Å; Q118-E130 HydrophobicContact CG-CB 3.89Å; Q118-E130 HydrophobicContact CG-CG 4.49Å; Q118-E130 PolarHBondContact N-O 2.91Å; Q118-E130 VanDerWaalsContact N-O 3.16Å; Q118-E130 PolarHBondContact NE2-OE2 2.85Å; Q118-E130 PolarHBondContact O-N 2.94Å; Y120-E130 WeakPolarHBondContact CE1-OE1 3.4Å; Y120-E130 PolarHBondContact OH-OE1 2.79Å; E130-P161 HydrophobicContact CG-CB 3.71Å; E130-P161 HydrophobicContact CG-CG 4.49Å |
| 131 | F | 95 | Very high | 92.6 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 154 | -175.9 | 56.4 | -93.1 | 0 | 0 | 0 | 112.1 | P114 T115 D117 V129 Q133 Y140 L142 S160 V177 | P114-F131 HydrophobicContact CB-CD2 4.34Å; T115-F131 CarbonylContact O-C 3.57Å; T115-F131 WeakPolarHBondContact O-CA 3.42Å; T115-F131 VanDerWaalsContact O-CB 3.24Å; T115-F131 WeakPolarHBondContact O-CB 3.47Å; D117-F131 WeakPolarHBondContact OD2-CA 3.34Å; V129-F131 HydrophobicContact CG1-CD1 4.34Å; F131-Q133 PolarHBondContact O-N 3.37Å; F131-Y140 HydrophobicContact CD2-CD1 4.04Å; F131-Y140 HydrophobicContact CD2-CE1 4.14Å; F131-Y140 HydrophobicContact CD2-CG 4.44Å; F131-Y140 AromaticContact CE2-CD1 3.38Å; F131-Y140 HydrophobicContact CE2-CD1 3.38Å; F131-Y140 AromaticContact CE2-CD2 3.67Å; F131-Y140 HydrophobicContact CE2-CD2 3.67Å; F131-Y140 AromaticContact CE2-CE1 3.66Å; F131-Y140 HydrophobicContact CE2-CE1 3.66Å; F131-Y140 AromaticContact CE2-CE2 3.96Å; F131-Y140 HydrophobicContact CE2-CE2 3.96Å; F131-Y140 AromaticContact CE2-CG 3.39Å; F131-Y140 HydrophobicContact CE2-CG 3.39Å; F131-Y140 AromaticContact CE2-CZ 3.96Å; F131-Y140 HydrophobicContact CZ-CD1 4.08Å; F131-Y140 AromaticContact CZ-CD2 3.92Å; F131-Y140 HydrophobicContact CZ-CD2 3.92Å; F131-Y140 AromaticContact CZ-CG 3.65Å; F131-Y140 HydrophobicContact CZ-CG 3.65Å; F131-L142 HydrophobicContact CE1-CD1 4.19Å; F131-L142 HydrophobicContact CE1-CD2 4.41Å; F131-L142 HydrophobicContact CE1-CG 4.39Å; F131-S160 PolarHBondContact N-OG 3.21Å; F131-S160 WeakPolarHBondContact O-CB 3.04Å; F131-S160 PolarHBondContact O-OG 2.89Å; F131-V177 HydrophobicContact CB-CG1 4.05Å; F131-V177 HydrophobicContact CD1-CG2 4.11Å; F131-V177 HydrophobicContact CD2-CG2 4.17Å; F131-V177 HydrophobicContact CE1-CG2 4.21Å; F131-V177 HydrophobicContact CE2-CG2 4.29Å; F131-V177 HydrophobicContact CG-CG1 4.26Å; F131-V177 HydrophobicContact CG-CG2 4.09Å; F131-V177 HydrophobicContact CZ-CG2 4.3Å |
| 132 | A | 93.6 | Very high | 92.7 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | trans | -69.3 | 127.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P114 T115 D117 | P114-A132 WeakPolarHBondContact CB-O 3.47Å; T115-A132 PolarHBondContact O-N 2.81Å; T115-A132 WeakPolarHBondContact OG1-CB 3.1Å; D117-A132 PolarHBondContact OD2-N 2.87Å; D117-A132 VanDerWaalsContact OD2-N 3.1Å | ||
| 133 | Q | 91.1 | Very high | 93 | Very high | 121 Ų | 121 | 38.7 Ų | 38.7 | 57% | 0.565 | 23% | 0.23 | S | C | * | . | trans | -76.4 | 134.5 | 176.6 | -62.6 | -173.1 | 23.3 | 0 | 0 | 110.7 | F131 Y140 | F131-Q133 PolarHBondContact O-N 3.37Å; Q133-Y140 VanDerWaalsContact CA-OH 3.28Å; Q133-Y140 WeakPolarHBondContact CA-OH 3.43Å; Q133-Y140 WeakPolarHBondContact CB-OH 3.39Å | ||
| 134 | V | 91.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | trans | -104.4 | 143.4 | -178 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | P111 D112 P114 G136 A137 Y140 | P111-V134 HydrophobicContact CB-CG2 3.81Å; D112-V134 WeakPolarHBondContact O-CG2 3.45Å; P114-V134 HydrophobicContact CB-CG1 4.07Å; V134-G136 PolarHBondContact O-N 2.78Å; V134-A137 HydrophobicContact CG2-CB 3.79Å; V134-A137 PolarHBondContact O-N 2.92Å; V134-Y140 HydrophobicContact CG2-CE1 4.1Å; V134-Y140 PolarHBondContact N-OH 2.81Å | ||
| 135 | S | 87.5 | Confident | 93.1 | Very high | 108 Ų | 108 | 36.9 Ų | 36.9 | 76% | 0.755 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 132.6 | 179.3 | -170 | 0 | 0 | 0 | 0 | 111.3 | ||
| 136 | G | 85.5 | Confident | 92.8 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -4.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N83 V134 N181 | N83-G136 WeakPolarHBondContact ND2-CA 3.45Å; V134-G136 PolarHBondContact O-N 2.78Å; G136-N181 WeakPolarHBondContact O-CB 3.42Å |
| 137 | A | 91 | Very high | 92 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | trans | -72.8 | 132.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P111 V134 Y140 V180 | P111-A137 HydrophobicContact CB-CB 4.15Å; P111-A137 HydrophobicContact CG-CB 3.95Å; V134-A137 HydrophobicContact CG2-CB 3.79Å; V134-A137 PolarHBondContact O-N 2.92Å; A137-Y140 HydrophobicContact CB-CE1 4.08Å; A137-Y140 HydrophobicContact CB-CE2 4.14Å; A137-V180 CarbonylContact C-O 3.55Å; A137-V180 WeakPolarHBondContact CA-O 3.46Å | ||
| 138 | T | 91.5 | Very high | 91.2 | Very high | 103 Ų | 103 | 43.2 Ų | 43.2 | 63% | 0.632 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -94.1 | -22.4 | 170.3 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | V180 | T138-V180 PolarHBondContact N-O 2.6Å; T138-V180 PolarHBondContact OG1-O 3.26Å; T138-V180 VanDerWaalsContact OG1-O 3.11Å |
| 139 | S | 94.2 | Very high | 90.2 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 175.8 | 173.7 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | V180 | S139-V180 PolarHBondContact N-O 2.82Å; S139-V180 WeakPolarHBondContact O-CB 3.39Å; S139-V180 PolarHBondContact O-N 3.19Å |
| 140 | Y | 94.9 | Very high | 89.5 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.7 | 177.7 | -59.8 | -93.7 | 0 | 0 | 0 | 109.4 | P114 F131 Q133 V134 A137 P156 A157 V177 M178 | P114-Y140 HydrophobicContact CB-CE1 4.25Å; P114-Y140 HydrophobicContact CG-CD1 3.97Å; P114-Y140 HydrophobicContact CG-CE1 4.02Å; F131-Y140 HydrophobicContact CD2-CD1 4.04Å; F131-Y140 HydrophobicContact CD2-CE1 4.14Å; F131-Y140 HydrophobicContact CD2-CG 4.44Å; F131-Y140 AromaticContact CE2-CD1 3.38Å; F131-Y140 HydrophobicContact CE2-CD1 3.38Å; F131-Y140 AromaticContact CE2-CD2 3.67Å; F131-Y140 HydrophobicContact CE2-CD2 3.67Å; F131-Y140 AromaticContact CE2-CE1 3.66Å; F131-Y140 HydrophobicContact CE2-CE1 3.66Å; F131-Y140 AromaticContact CE2-CE2 3.96Å; F131-Y140 HydrophobicContact CE2-CE2 3.96Å; F131-Y140 AromaticContact CE2-CG 3.39Å; F131-Y140 HydrophobicContact CE2-CG 3.39Å; F131-Y140 AromaticContact CE2-CZ 3.96Å; F131-Y140 HydrophobicContact CZ-CD1 4.08Å; F131-Y140 AromaticContact CZ-CD2 3.92Å; F131-Y140 HydrophobicContact CZ-CD2 3.92Å; F131-Y140 AromaticContact CZ-CG 3.65Å; F131-Y140 HydrophobicContact CZ-CG 3.65Å; Q133-Y140 VanDerWaalsContact CA-OH 3.28Å; Q133-Y140 WeakPolarHBondContact CA-OH 3.43Å; Q133-Y140 WeakPolarHBondContact CB-OH 3.39Å; V134-Y140 HydrophobicContact CG2-CE1 4.1Å; V134-Y140 PolarHBondContact N-OH 2.81Å; A137-Y140 HydrophobicContact CB-CE1 4.08Å; A137-Y140 HydrophobicContact CB-CE2 4.14Å; Y140-P156 CarbonylContact O-C 3.53Å; Y140-P156 WeakPolarHBondContact O-CA 3.46Å; Y140-A157 PolarHBondContact N-O 2.03Å; Y140-A157 PolarHBondContact O-N 2.89Å; Y140-V177 HydrophobicContact CD1-CG2 4.13Å; Y140-M178 CarbonylContact C-O 3.59Å; Y140-M178 VanDerWaalsContact CA-O 3.26Å; Y140-M178 WeakPolarHBondContact CA-O 3.23Å |
| 141 | I | 94.8 | Very high | 88.9 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.8 | 169.5 | -66.7 | 166.7 | 0 | 0 | 0 | 107.2 | E154 V177 M178 V180 R185 | I141-E154 HydrophobicContact CG2-CB 3.95Å; I141-E154 HydrophobicContact CG2-CG 3.72Å; I141-V177 WeakPolarHBondContact O-CA 3.36Å; I141-M178 HydrophobicContact CB-CE 4.35Å; I141-M178 HydrophobicContact CG2-CE 3.93Å; I141-M178 PolarHBondContact N-O 3.48Å; I141-M178 PolarHBondContact O-N 2.76Å; I141-V180 HydrophobicContact CD1-CG2 3.79Å; I141-V180 HydrophobicContact CG1-CG2 3.89Å; I141-R185 HydrophobicContact CD1-CG 4.46Å |
| 142 | L | 95.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127 | 171.7 | -65.9 | 83.6 | 0 | 0 | 0 | 107.8 | V129 F131 E154 T155 A157 G162 V164 | V129-L142 HydrophobicContact CB-CD2 3.69Å; V129-L142 HydrophobicContact CG2-CD2 3.84Å; F131-L142 HydrophobicContact CE1-CD1 4.19Å; F131-L142 HydrophobicContact CE1-CD2 4.41Å; F131-L142 HydrophobicContact CE1-CG 4.39Å; L142-E154 CarbonylContact O-C 3.57Å; L142-E154 VanDerWaalsContact O-CA 3.28Å; L142-E154 WeakPolarHBondContact O-CA 3.19Å; L142-T155 PolarHBondContact N-O 3.01Å; L142-T155 PolarHBondContact O-N 2.9Å; L142-A157 HydrophobicContact CD1-CB 3.39Å; L142-G162 VanDerWaalsContact CD2-C 3.44Å; L142-G162 WeakPolarHBondContact CD2-O 3.5Å; L142-V164 HydrophobicContact CB-CG2 3.49Å; L142-V164 VanDerWaalsContact CB-CG2 3.49Å; L142-V164 HydrophobicContact CD2-CG2 4.17Å |
| 143 | R | 94.2 | Very high | 88.5 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.3 | 174.3 | 174.3 | 178.5 | 171 | 136.6 | -7.3 | 108.8 | E145 F152 F153 E154 L175 S176 M178 | R143-E145 IonicContact CZ-OE1 2.81Å; R143-E145 IonicContact CZ-OE2 2.68Å; R143-E145 IonicContact NE-OE1 3.81Å; R143-E145 IonicContact NE-OE2 2.86Å; R143-E145 PolarHBondContact NE-OE2 3.48Å; R143-E145 IonicContact NH2-OE1 2.7Å; R143-E145 PolarHBondContact NH2-OE1 2.71Å; R143-E145 IonicContact NH2-OE2 3.2Å; R143-E145 PolarHBondContact NH2-OE2 2.91Å; R143-F152 HydrophobicContact CG-CB 4.09Å; R143-F152 HydrophobicContact CG-CD2 4.05Å; R143-F152 HydrophobicContact CG-CG 4.31Å; R143-F153 CarbonylContact C-O 3.52Å; R143-F153 VanDerWaalsContact CA-O 3.32Å; R143-F153 WeakPolarHBondContact CA-O 3.19Å; R143-E154 HydrophobicContact CB-CG 3.95Å; R143-E154 HydrophobicContact CG-CG 4.26Å; R143-L175 CarbonylContact O-C 3.56Å; R143-L175 VanDerWaalsContact O-CA 3.31Å; R143-L175 WeakPolarHBondContact O-CA 3.24Å; R143-S176 PolarHBondContact N-O 3.13Å; R143-S176 PolarHBondContact O-N 2.81Å; R143-M178 HydrophobicContact CB-CE 4.17Å |
| 144 | A | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 118.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | F152 F153 V164 L167 Y173 L175 | A144-F152 CarbonylContact O-C 3.56Å; A144-F152 VanDerWaalsContact O-CA 3.27Å; A144-F152 WeakPolarHBondContact O-CA 3.12Å; A144-F153 PolarHBondContact N-O 3.07Å; A144-F153 PolarHBondContact O-N 2.88Å; A144-V164 HydrophobicContact CB-CB 4.23Å; A144-V164 HydrophobicContact CB-CG1 3.86Å; A144-V164 HydrophobicContact CB-CG2 4.26Å; A144-L167 HydrophobicContact CB-CD2 4.05Å; A144-Y173 HydrophobicContact CB-CD1 4.2Å; A144-Y173 HydrophobicContact CB-CG 4.36Å; A144-L175 HydrophobicContact CB-CD2 3.93Å; A144-L175 HydrophobicContact CB-CG 4.24Å |
| 145 | E | 92.2 | Very high | 88.6 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139 | -175.3 | -176.6 | 151.1 | -144.8 | 0 | 0 | 109.9 | R143 F152 Y173 T174 | R143-E145 IonicContact CZ-OE1 2.81Å; R143-E145 IonicContact CZ-OE2 2.68Å; R143-E145 IonicContact NE-OE1 3.81Å; R143-E145 IonicContact NE-OE2 2.86Å; R143-E145 PolarHBondContact NE-OE2 3.48Å; R143-E145 IonicContact NH2-OE1 2.7Å; R143-E145 PolarHBondContact NH2-OE1 2.71Å; R143-E145 IonicContact NH2-OE2 3.2Å; R143-E145 PolarHBondContact NH2-OE2 2.91Å; E145-F152 HydrophobicContact CB-CB 3.96Å; E145-F152 HydrophobicContact CG-CB 4.14Å; E145-Y173 CarbonylContact O-C 3.55Å; E145-Y173 WeakPolarHBondContact O-CA 3.36Å; E145-T174 PolarHBondContact N-O 2.87Å; E145-T174 PolarHBondContact O-N 3.47Å |
| 146 | S | 88.4 | Confident | 88.9 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 145.1 | 174.5 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | T148 G149 F151 | S146-T148 PolarHBondContact O-N 2.9Å; S146-T148 PolarHBondContact OG-N 2.81Å; S146-T148 PolarHBondContact OG-OG1 2.75Å; S146-G149 PolarHBondContact O-N 3Å; S146-F151 PolarHBondContact N-O 2.87Å |
| 147 | K | 77.8 | Confident | 89.3 | Confident | 111 Ų | 111 | 54.7 Ų | 54.7 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -22.4 | 174.3 | -169.4 | 158.6 | -171.7 | 150.1 | 0 | 113.9 | D172 E193 | K147-D172 HydrophobicContact CB-CB 4.31Å; K147-D172 HydrophobicContact CD-CB 3.86Å; K147-D172 PolarHBondContact N-O 3.13Å; K147-E193 WeakPolarHBondContact CE-OE1 3.46Å; K147-E193 VanDerWaalsContact NZ-CD 3.33Å; K147-E193 IonicContact NZ-OE1 3.25Å; K147-E193 PolarHBondContact NZ-OE1 2.75Å; K147-E193 IonicContact NZ-OE2 3.73Å; K147-E193 PolarHBondContact NZ-OE2 3.11Å |
| 148 | T | 75.9 | Confident | 89.3 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.9 | 174.1 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | S146 D150 | S146-T148 PolarHBondContact O-N 2.9Å; S146-T148 PolarHBondContact OG-N 2.81Å; S146-T148 PolarHBondContact OG-OG1 2.75Å; T148-D150 VanDerWaalsContact C-N 3.29Å; T148-D150 WeakPolarHBondContact CB-OD2 3.35Å; T148-D150 PolarHBondContact O-N 3.41Å; T148-D150 PolarHBondContact OG1-OD2 3.21Å |
| 149 | G | 76 | Confident | 89.4 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 78.2 | 2.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S146 F151 | S146-G149 PolarHBondContact O-N 3Å; G149-F151 PolarHBondContact O-N 3.49Å |
| 150 | D | 79.2 | Confident | 89.3 | Confident | 130 Ų | 130 | 57.5 Ų | 57.5 | 70% | 0.695 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -69.7 | -29.1 | -173.2 | -62.1 | -49.7 | 0 | 0 | 0 | 114 | T148 | T148-D150 VanDerWaalsContact C-N 3.29Å; T148-D150 WeakPolarHBondContact CB-OD2 3.35Å; T148-D150 PolarHBondContact O-N 3.41Å; T148-D150 PolarHBondContact OG1-OD2 3.21Å |
| 151 | F | 84.4 | Confident | 89.2 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | trans | -154.2 | 157.6 | -179.7 | 62.3 | -90 | 0 | 0 | 0 | 111.6 | S146 G149 F153 Y173 | S146-F151 PolarHBondContact N-O 2.87Å; G149-F151 PolarHBondContact O-N 3.49Å; F151-F153 HydrophobicContact CD2-CD2 4.46Å; F151-F153 AromaticContact CD2-CE2 3.89Å; F151-F153 HydrophobicContact CD2-CE2 3.89Å; F151-F153 HydrophobicContact CD2-CZ 4.29Å; F151-F153 HydrophobicContact CE2-CD2 4.5Å; F151-F153 AromaticContact CE2-CE2 3.69Å; F151-F153 HydrophobicContact CE2-CE2 3.69Å; F151-F153 HydrophobicContact CE2-CZ 4.23Å; F151-Y173 HydrophobicContact CE2-CE1 4.12Å | ||
| 152 | F | 88.3 | Confident | 89.2 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 154.9 | 175.8 | 68.5 | -90.7 | 0 | 0 | 0 | 111.8 | R143 A144 E145 E154 | R143-F152 HydrophobicContact CG-CB 4.09Å; R143-F152 HydrophobicContact CG-CD2 4.05Å; R143-F152 HydrophobicContact CG-CG 4.31Å; A144-F152 CarbonylContact O-C 3.56Å; A144-F152 VanDerWaalsContact O-CA 3.27Å; A144-F152 WeakPolarHBondContact O-CA 3.12Å; E145-F152 HydrophobicContact CB-CB 3.96Å; E145-F152 HydrophobicContact CG-CB 4.14Å; F152-E154 HydrophobicContact CD2-CG 3.95Å; F152-E154 HydrophobicContact CE2-CG 3.92Å |
| 153 | F | 91 | Very high | 89.1 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.1 | 171.1 | -60.2 | -80.4 | 0 | 0 | 0 | 109.3 | R143 A144 F151 V164 G166 L167 Y173 | R143-F153 CarbonylContact C-O 3.52Å; R143-F153 VanDerWaalsContact CA-O 3.32Å; R143-F153 WeakPolarHBondContact CA-O 3.19Å; A144-F153 PolarHBondContact N-O 3.07Å; A144-F153 PolarHBondContact O-N 2.88Å; F151-F153 HydrophobicContact CD2-CD2 4.46Å; F151-F153 AromaticContact CD2-CE2 3.89Å; F151-F153 HydrophobicContact CD2-CE2 3.89Å; F151-F153 HydrophobicContact CD2-CZ 4.29Å; F151-F153 HydrophobicContact CE2-CD2 4.5Å; F151-F153 AromaticContact CE2-CE2 3.69Å; F151-F153 HydrophobicContact CE2-CE2 3.69Å; F151-F153 HydrophobicContact CE2-CZ 4.23Å; F153-V164 HydrophobicContact CB-CG1 3.95Å; F153-G166 WeakPolarHBondContact CZ-O 3.28Å; F153-L167 HydrophobicContact CB-CD2 4.21Å; F153-L167 HydrophobicContact CD2-CD2 3.35Å; F153-L167 HydrophobicContact CE2-CD2 3.89Å; F153-L167 HydrophobicContact CG-CD2 4Å; F153-Y173 HydrophobicContact CD2-CE1 4.27Å; F153-Y173 HydrophobicContact CE2-CE1 4.2Å |
| 154 | E | 92.6 | Very high | 89.1 | Confident | 75 Ų | 75 | 60 Ų | 60 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.1 | 173 | -84.6 | 179.6 | -171.8 | 0 | 0 | 110.6 | I141 L142 R143 F152 | I141-E154 HydrophobicContact CG2-CB 3.95Å; I141-E154 HydrophobicContact CG2-CG 3.72Å; L142-E154 CarbonylContact O-C 3.57Å; L142-E154 VanDerWaalsContact O-CA 3.28Å; L142-E154 WeakPolarHBondContact O-CA 3.19Å; R143-E154 HydrophobicContact CB-CG 3.95Å; R143-E154 HydrophobicContact CG-CG 4.26Å; F152-E154 HydrophobicContact CD2-CG 3.95Å; F152-E154 HydrophobicContact CE2-CG 3.92Å |
| 155 | T | 92.8 | Very high | 89 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.9 | 173.3 | -57.9 | 0 | 0 | 0 | 0 | 110 | L142 T163 | L142-T155 PolarHBondContact N-O 3.01Å; L142-T155 PolarHBondContact O-N 2.9Å; T155-T163 VanDerWaalsContact CG2-O 3.32Å; T155-T163 WeakPolarHBondContact CG2-O 3.49Å |
| 156 | P | 93.3 | Very high | 88.8 | Confident | 104 Ų | 104 | 64 Ų | 64 | 68% | 0.675 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 135.7 | 174.5 | 30.9 | -33.4 | 0 | 0 | 0 | 110.7 | Y140 | Y140-P156 CarbonylContact O-C 3.53Å; Y140-P156 WeakPolarHBondContact O-CA 3.46Å |
| 157 | A | 92.9 | Very high | 89 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 12% | 0.124 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y140 L142 | Y140-A157 PolarHBondContact N-O 2.03Å; Y140-A157 PolarHBondContact O-N 2.89Å; L142-A157 HydrophobicContact CD1-CB 3.39Å |
| 158 | A | 91.6 | Very high | 89.7 | Confident | 83 Ų | 83 | 63.7 Ų | 63.7 | 69% | 0.686 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -74.9 | -30.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 159 | Q | 92.9 | Very high | 90.4 | Very high | 120 Ų | 120 | 61.9 Ų | 61.9 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -154.6 | 175 | -172.8 | 58.6 | 178.6 | 77.3 | 0 | 0 | 110.6 | P161 | Q159-P161 CarbonylContact O-C 3.6Å; Q159-P161 VanDerWaalsContact O-O 3.13Å |
| 160 | S | 92.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 15% | 0.154 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -87.7 | 141.2 | 169.2 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | F131 | F131-S160 PolarHBondContact N-OG 3.21Å; F131-S160 WeakPolarHBondContact O-CB 3.04Å; F131-S160 PolarHBondContact O-OG 2.89Å |
| 161 | P | 94.1 | Very high | 91.7 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | S | Bend | cis | -67.9 | 155.5 | -10.5 | 26.5 | -33.5 | 0 | 0 | 0 | 113.4 | T128 V129 E130 Q159 | T128-P161 HydrophobicContact CG2-CB 3.75Å; V129-P161 WeakPolarHBondContact O-CA 3.17Å; E130-P161 HydrophobicContact CG-CB 3.71Å; E130-P161 HydrophobicContact CG-CG 4.49Å; Q159-P161 CarbonylContact O-C 3.6Å; Q159-P161 VanDerWaalsContact O-O 3.13Å |
| 162 | G | 92.8 | Very high | 92 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 157.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T128 V129 L142 | T128-G162 CarbonylContact C-O 3.57Å; T128-G162 WeakPolarHBondContact CA-O 3.32Å; V129-G162 PolarHBondContact N-O 3.21Å; V129-G162 PolarHBondContact O-N 2.01Å; L142-G162 VanDerWaalsContact CD2-C 3.44Å; L142-G162 WeakPolarHBondContact CD2-O 3.5Å |
| 163 | T | 94.4 | Very high | 92.3 | Very high | 55 Ų | 55 | 51.2 Ų | 51.2 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 129.2 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 109.9 | I127 T128 T155 V165 | I127-T163 CarbonylContact O-C 3.59Å; I127-T163 WeakPolarHBondContact O-CA 3.47Å; T128-T163 PolarHBondContact OG1-OG1 3.48Å; T155-T163 VanDerWaalsContact CG2-O 3.32Å; T155-T163 WeakPolarHBondContact CG2-O 3.49Å; T163-V165 HydrophobicContact CG2-CG1 4.09Å |
| 164 | V | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132 | 169.6 | -171 | 0 | 0 | 0 | 0 | 108.3 | S126 I127 L142 A144 F153 L167 | S126-V164 WeakPolarHBondContact CA-O 3.39Å; S126-V164 WeakPolarHBondContact CB-O 3.41Å; I127-V164 PolarHBondContact N-O 2.85Å; I127-V164 PolarHBondContact O-N 2.91Å; L142-V164 HydrophobicContact CB-CG2 3.49Å; L142-V164 VanDerWaalsContact CB-CG2 3.49Å; L142-V164 HydrophobicContact CD2-CG2 4.17Å; A144-V164 HydrophobicContact CB-CB 4.23Å; A144-V164 HydrophobicContact CB-CG1 3.86Å; A144-V164 HydrophobicContact CB-CG2 4.26Å; F153-V164 HydrophobicContact CB-CG1 3.95Å; V164-L167 HydrophobicContact CG1-CD2 3.97Å |
| 165 | V | 91.4 | Very high | 92.5 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 161.3 | -173.7 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | D125 T163 | D125-V165 CarbonylContact O-C 3.6Å; T163-V165 HydrophobicContact CG2-CG1 4.09Å |
| 166 | G | 89.3 | Confident | 92.6 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 81.8 | 19.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | D125 F153 | D125-G166 PolarHBondContact O-N 2.81Å; F153-G166 WeakPolarHBondContact CZ-O 3.28Å |
| 167 | L | 92.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 165.1 | 175.7 | -53.3 | -176.4 | 0 | 0 | 0 | 111.1 | D125 I127 A144 F153 V164 Y173 T196 | D125-L167 WeakPolarHBondContact CA-O 3.34Å; D125-L167 WeakPolarHBondContact O-CB 2.91Å; D125-L167 PolarHBondContact O-N 2.81Å; I127-L167 HydrophobicContact CB-CD1 4Å; I127-L167 HydrophobicContact CD1-CD1 3.71Å; I127-L167 HydrophobicContact CG1-CD1 3.66Å; A144-L167 HydrophobicContact CB-CD2 4.05Å; F153-L167 HydrophobicContact CB-CD2 4.21Å; F153-L167 HydrophobicContact CD2-CD2 3.35Å; F153-L167 HydrophobicContact CE2-CD2 3.89Å; F153-L167 HydrophobicContact CG-CD2 4Å; V164-L167 HydrophobicContact CG1-CD2 3.97Å; L167-Y173 HydrophobicContact CB-CD2 4.47Å; L167-Y173 HydrophobicContact CB-CE2 3.71Å; L167-Y173 HydrophobicContact CD1-CD2 4.05Å; L167-Y173 HydrophobicContact CD1-CE2 4.11Å; L167-Y173 HydrophobicContact CD2-CD1 4.37Å; L167-Y173 HydrophobicContact CD2-CE1 4.04Å; L167-Y173 HydrophobicContact CD2-CE2 4.2Å; L167-Y173 HydrophobicContact CG-CE2 4.22Å; L167-T196 HydrophobicContact CB-CG2 3.78Å; L167-T196 HydrophobicContact CD1-CG2 3.85Å; L167-T196 HydrophobicContact CG-CG2 4.47Å |
| 168 | Q | 91.3 | Very high | 92.7 | Very high | 110 Ų | 110 | 40.3 Ų | 40.3 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -86.8 | 144.8 | 173.9 | -68.8 | -178.8 | -14.7 | 0 | 0 | 110.8 | S124 T171 Y173 T196 | S124-Q168 CarbonylContact O-C 3.47Å; Q168-T171 WeakPolarHBondContact CB-OG1 3.41Å; Q168-T171 WeakPolarHBondContact O-CB 3.32Å; Q168-T171 PolarHBondContact O-OG1 2.86Å; Q168-Y173 PolarHBondContact N-OH 3.06Å; Q168-T196 WeakPolarHBondContact O-CB 3.03Å; Q168-T196 PolarHBondContact O-OG1 3.19Å |
| 169 | P | 92.2 | Very high | 92.8 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 149 | 173.4 | -28.6 | 36.9 | 0 | 0 | 0 | 114.1 | S124 T171 V199 | S124-P169 VanDerWaalsContact O-CA 3.24Å; S124-P169 WeakPolarHBondContact O-CA 3.21Å; P169-T171 PolarHBondContact O-N 3.39Å; P169-T171 PolarHBondContact O-OG1 2.03Å; P169-V199 HydrophobicContact CB-CG1 3.69Å; P169-V199 HydrophobicContact CG-CG1 3.4Å |
| 170 | Y | 91.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 31.7 Ų | 31.7 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 33.5 | 176.2 | -158.7 | -104.5 | 0 | 0 | 0 | 115.6 | R195 T196 V197 V198 H222 D267 | Y170-R195 PolarHBondContact OH-NH1 2.9Å; Y170-R195 VanDerWaalsContact OH-NH1 3.15Å; Y170-T196 WeakPolarHBondContact CA-O 3.23Å; Y170-T196 PolarHBondContact N-OG1 2.94Å; Y170-V197 PolarHBondContact N-O 2.89Å; Y170-V197 VanDerWaalsContact N-O 3.12Å; Y170-V198 HydrophobicContact CD2-CG1 3.58Å; Y170-V198 HydrophobicContact CE2-CG1 4.25Å; Y170-V198 HydrophobicContact CG-CG1 4.09Å; Y170-H222 HydrophobicContact CD1-CB 3.54Å; Y170-H222 AromaticContact CD1-CD2 3.14Å; Y170-H222 WeakPolarHBondContact CD1-CD2 3.25Å; Y170-H222 AromaticContact CD1-CG 3.28Å; Y170-H222 AromaticContact CD1-NE2 3.81Å; Y170-H222 HydrophobicContact CD2-CB 4.24Å; Y170-H222 HydrophobicContact CE1-CB 3.49Å; Y170-H222 VanDerWaalsContact CE1-CB 3.49Å; Y170-H222 AromaticContact CE1-CD2 3.76Å; Y170-H222 AromaticContact CE1-CG 3.39Å; Y170-H222 AromaticContact CE1-ND1 3.82Å; Y170-H222 HydrophobicContact CE2-CB 4.2Å; Y170-H222 HydrophobicContact CG-CB 3.9Å; Y170-H222 AromaticContact CG-CD2 3.8Å; Y170-D267 HydrophobicContact CD2-CB 4.32Å; Y170-D267 HydrophobicContact CE2-CB 3.61Å |
| 171 | T | 90.8 | Very high | 92.8 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 20% | 0.202 | 19% | 0.189 | C | C | . | . | trans | -112.6 | 133.6 | -172.4 | -62.1 | 0 | 0 | 0 | 0 | 110.4 | Q168 P169 Y173 R195 T196 | Q168-T171 WeakPolarHBondContact CB-OG1 3.41Å; Q168-T171 WeakPolarHBondContact O-CB 3.32Å; Q168-T171 PolarHBondContact O-OG1 2.86Å; P169-T171 PolarHBondContact O-N 3.39Å; P169-T171 PolarHBondContact O-OG1 2.03Å; T171-Y173 HydrophobicContact CG2-CD2 4.27Å; T171-Y173 HydrophobicContact CG2-CE1 4.46Å; T171-Y173 HydrophobicContact CG2-CE2 3.62Å; T171-Y173 VanDerWaalsContact O-CD2 3.3Å; T171-Y173 WeakPolarHBondContact O-CD2 3.49Å; T171-R195 WeakPolarHBondContact O-CA 3.4Å; T171-R195 WeakPolarHBondContact O-CG 3.35Å; T171-T196 PolarHBondContact N-OG1 3.42Å; T171-T196 PolarHBondContact O-N 2.96Å; T171-T196 VanDerWaalsContact O-N 3.14Å; T171-T196 PolarHBondContact O-OG1 2.84Å | ||
| 172 | D | 91.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 22% | 0.219 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.7 | 177.4 | -75.8 | -38.5 | 0 | 0 | 0 | 110.8 | K147 R195 | K147-D172 HydrophobicContact CB-CB 4.31Å; K147-D172 HydrophobicContact CD-CB 3.86Å; K147-D172 PolarHBondContact N-O 3.13Å; D172-R195 WeakPolarHBondContact OD1-CB 2.97Å; D172-R195 WeakPolarHBondContact OD1-CG 3.35Å; D172-R195 IonicContact OD1-CZ 2.96Å; D172-R195 IonicContact OD1-NE 3.85Å; D172-R195 PolarHBondContact OD1-NE 3.21Å; D172-R195 IonicContact OD1-NH2 3.96Å; D172-R195 PolarHBondContact OD1-NH2 2.86Å; D172-R195 IonicContact OD2-CZ 2.94Å; D172-R195 IonicContact OD2-NE 2.76Å; D172-R195 PolarHBondContact OD2-NE 2.77Å; D172-R195 IonicContact OD2-NH2 2.72Å; D172-R195 PolarHBondContact OD2-NH2 2.86Å |
| 173 | Y | 93.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.5 | 176.1 | -70.2 | -83.2 | 0 | 0 | 0 | 111.9 | I127 A144 E145 F151 F153 L167 Q168 T171 L175 E193 A194 T196 | I127-Y173 HydrophobicContact CD1-CD2 3.89Å; I127-Y173 HydrophobicContact CD1-CG 4.3Å; A144-Y173 HydrophobicContact CB-CD1 4.2Å; A144-Y173 HydrophobicContact CB-CG 4.36Å; E145-Y173 CarbonylContact O-C 3.55Å; E145-Y173 WeakPolarHBondContact O-CA 3.36Å; F151-Y173 HydrophobicContact CE2-CE1 4.12Å; F153-Y173 HydrophobicContact CD2-CE1 4.27Å; F153-Y173 HydrophobicContact CE2-CE1 4.2Å; L167-Y173 HydrophobicContact CB-CD2 4.47Å; L167-Y173 HydrophobicContact CB-CE2 3.71Å; L167-Y173 HydrophobicContact CD1-CD2 4.05Å; L167-Y173 HydrophobicContact CD1-CE2 4.11Å; L167-Y173 HydrophobicContact CD2-CD1 4.37Å; L167-Y173 HydrophobicContact CD2-CE1 4.04Å; L167-Y173 HydrophobicContact CD2-CE2 4.2Å; L167-Y173 HydrophobicContact CG-CE2 4.22Å; Q168-Y173 PolarHBondContact N-OH 3.06Å; T171-Y173 HydrophobicContact CG2-CD2 4.27Å; T171-Y173 HydrophobicContact CG2-CE1 4.46Å; T171-Y173 HydrophobicContact CG2-CE2 3.62Å; T171-Y173 VanDerWaalsContact O-CD2 3.3Å; T171-Y173 WeakPolarHBondContact O-CD2 3.49Å; Y173-L175 WeakPolarHBondContact O-CD1 3.01Å; Y173-E193 WeakPolarHBondContact O-CA 3.41Å; Y173-A194 PolarHBondContact N-O 3.03Å; Y173-A194 PolarHBondContact O-N 2.89Å; Y173-T196 HydrophobicContact CD2-CG2 4.4Å; Y173-T196 HydrophobicContact CE2-CG2 4.22Å |
| 174 | T | 93.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 32 Ų | 32 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.6 | 170 | -55.6 | 0 | 0 | 0 | 0 | 108.2 | E145 P191 | E145-T174 PolarHBondContact N-O 2.87Å; E145-T174 PolarHBondContact O-N 3.47Å; T174-P191 HydrophobicContact CG2-CB 3.54Å; T174-P191 HydrophobicContact CG2-CG 4.36Å |
| 175 | L | 94.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.3 | -173.9 | -58.7 | 108.1 | 0 | 0 | 0 | 111.8 | I116 A119 I127 V129 R143 A144 Y173 P191 I192 A194 | I116-L175 WeakPolarHBondContact CD1-O 3.19Å; A119-L175 HydrophobicContact CB-CD1 4.32Å; I127-L175 HydrophobicContact CB-CD2 3.95Å; I127-L175 HydrophobicContact CD1-CD1 4.16Å; I127-L175 HydrophobicContact CD1-CD2 4.29Å; I127-L175 HydrophobicContact CG2-CD1 4.1Å; I127-L175 HydrophobicContact CG2-CD2 3.51Å; I127-L175 HydrophobicContact CG2-CG 4.48Å; V129-L175 HydrophobicContact CG2-CB 4.36Å; V129-L175 HydrophobicContact CG2-CD2 3.62Å; R143-L175 CarbonylContact O-C 3.56Å; R143-L175 VanDerWaalsContact O-CA 3.31Å; R143-L175 WeakPolarHBondContact O-CA 3.24Å; A144-L175 HydrophobicContact CB-CD2 3.93Å; A144-L175 HydrophobicContact CB-CG 4.24Å; Y173-L175 WeakPolarHBondContact O-CD1 3.01Å; L175-P191 CarbonylContact O-C 3.57Å; L175-P191 VanDerWaalsContact O-CA 3.22Å; L175-P191 WeakPolarHBondContact O-CA 3.26Å; L175-I192 HydrophobicContact CB-CG2 4.12Å; L175-I192 PolarHBondContact N-O 3.33Å; L175-I192 PolarHBondContact O-N 3.04Å; L175-A194 HydrophobicContact CD1-CB 3.66Å |
| 176 | S | 94.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153.9 | 173 | 60 | 0 | 0 | 0 | 0 | 110.8 | R143 S189 | R143-S176 PolarHBondContact N-O 3.13Å; R143-S176 PolarHBondContact O-N 2.81Å; S176-S189 WeakPolarHBondContact CA-OG 3.46Å |
| 177 | V | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.6 | 177.5 | 59.5 | 0 | 0 | 0 | 0 | 110.6 | P114 I116 F131 Y140 I141 S189 | P114-V177 HydrophobicContact CB-CG1 3.95Å; P114-V177 HydrophobicContact CG-CB 4.45Å; P114-V177 HydrophobicContact CG-CG1 3.87Å; P114-V177 HydrophobicContact CG-CG2 4.03Å; I116-V177 HydrophobicContact CD1-CG1 4.23Å; I116-V177 HydrophobicContact CG1-CG1 3.63Å; F131-V177 HydrophobicContact CB-CG1 4.05Å; F131-V177 HydrophobicContact CD1-CG2 4.11Å; F131-V177 HydrophobicContact CD2-CG2 4.17Å; F131-V177 HydrophobicContact CE1-CG2 4.21Å; F131-V177 HydrophobicContact CE2-CG2 4.29Å; F131-V177 HydrophobicContact CG-CG1 4.26Å; F131-V177 HydrophobicContact CG-CG2 4.09Å; F131-V177 HydrophobicContact CZ-CG2 4.3Å; Y140-V177 HydrophobicContact CD1-CG2 4.13Å; I141-V177 WeakPolarHBondContact O-CA 3.36Å; V177-S189 PolarHBondContact N-OG 3.35Å; V177-S189 WeakPolarHBondContact O-CB 3.46Å; V177-S189 PolarHBondContact O-N 2.61Å |
| 178 | M | 93.9 | Very high | 91.3 | Very high | 15 Ų | 15 | 40 Ų | 40 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.1 | 175.4 | -68.2 | 166.5 | -80.4 | 0 | 0 | 109.2 | Y140 I141 R143 S186 P188 | Y140-M178 CarbonylContact C-O 3.59Å; Y140-M178 VanDerWaalsContact CA-O 3.26Å; Y140-M178 WeakPolarHBondContact CA-O 3.23Å; I141-M178 HydrophobicContact CB-CE 4.35Å; I141-M178 HydrophobicContact CG2-CE 3.93Å; I141-M178 PolarHBondContact N-O 3.48Å; I141-M178 PolarHBondContact O-N 2.76Å; R143-M178 HydrophobicContact CB-CE 4.17Å; M178-S186 WeakPolarHBondContact CA-OG 3.33Å; M178-P188 HydrophobicContact CG-CB 4.24Å; M178-P188 HydrophobicContact CG-CG 4.16Å; M178-P188 HydrophobicContact SD-CG 4.08Å |
| 179 | S | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 150.2 | 170.5 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | P111 D112 R185 S186 | P111-S179 WeakPolarHBondContact CB-OG 3.39Å; P111-S179 PolarHBondContact O-OG 2.93Å; D112-S179 WeakPolarHBondContact O-CB 3.41Å; D112-S179 PolarHBondContact O-OG 2.98Å; S179-R185 CarbonylContact O-C 3.59Å; S179-R185 WeakPolarHBondContact O-CA 3.46Å; S179-S186 PolarHBondContact N-OG 3.38Å; S179-S186 PolarHBondContact O-N 3.02Å; S179-S186 WeakPolarHBondContact OG-CB 3.07Å; S179-S186 PolarHBondContact OG-OG 2.84Å |
| 180 | V | 93.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 134.6 | -175.1 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | A137 T138 S139 I141 G184 R185 | A137-V180 CarbonylContact C-O 3.55Å; A137-V180 WeakPolarHBondContact CA-O 3.46Å; T138-V180 PolarHBondContact N-O 2.6Å; T138-V180 PolarHBondContact OG1-O 3.26Å; T138-V180 VanDerWaalsContact OG1-O 3.11Å; S139-V180 PolarHBondContact N-O 2.82Å; S139-V180 WeakPolarHBondContact O-CB 3.39Å; S139-V180 PolarHBondContact O-N 3.19Å; I141-V180 HydrophobicContact CD1-CG2 3.79Å; I141-V180 HydrophobicContact CG1-CG2 3.89Å; V180-G184 WeakPolarHBondContact CA-O 3.35Å; V180-R185 HydrophobicContact CG1-CG 4.39Å; V180-R185 HydrophobicContact CG2-CG 4.16Å |
| 181 | N | 91.1 | Very high | 91.4 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | trans | -136.1 | -168.6 | 166.3 | 69.8 | 4.3 | 0 | 0 | 0 | 110.3 | N83 T109 P111 G136 G183 G184 | N83-N181 PolarHBondContact OD1-ND2 2.8Å; T109-N181 PolarHBondContact O-ND2 3.46Å; P111-N181 HydrophobicContact CG-CB 3.76Å; G136-N181 WeakPolarHBondContact O-CB 3.42Å; N181-G183 PolarHBondContact O-N 3.46Å; N181-G183 WeakPolarHBondContact OD1-CA 3.47Å; N181-G183 PolarHBondContact OD1-N 3.08Å; N181-G184 PolarHBondContact N-O 3.17Å; N181-G184 VanDerWaalsContact N-O 3.1Å; N181-G184 PolarHBondContact O-N 3.44Å; N181-G184 PolarHBondContact OD1-N 3.3Å | ||
| 182 | S | 86.9 | Confident | 91.5 | Very high | 114 Ų | 114 | 45.7 Ų | 45.7 | 80% | 0.797 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -63.3 | -20.9 | 175.5 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 183 | G | 81.8 | Confident | 91.6 | Very high | 12 Ų | 12 | 49 Ų | 49 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -82.3 | -29.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | V32 T108 N181 | V32-G183 VanDerWaalsContact CB-O 3.27Å; V32-G183 WeakPolarHBondContact CB-O 3.21Å; T108-G183 WeakPolarHBondContact O-CA 2.95Å; N181-G183 PolarHBondContact O-N 3.46Å; N181-G183 WeakPolarHBondContact OD1-CA 3.47Å; N181-G183 PolarHBondContact OD1-N 3.08Å |
| 184 | G | 85.6 | Confident | 91.5 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | trans | 154.1 | -153.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V180 N181 | V180-G184 WeakPolarHBondContact CA-O 3.35Å; N181-G184 PolarHBondContact N-O 3.17Å; N181-G184 VanDerWaalsContact N-O 3.1Å; N181-G184 PolarHBondContact O-N 3.44Å; N181-G184 PolarHBondContact OD1-N 3.3Å | ||
| 185 | R | 90.5 | Very high | 91.4 | Very high | 134 Ų | 134 | 50.5 Ų | 50.5 | 51% | 0.506 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -109.2 | 142.5 | 178.2 | -60.8 | 178.3 | 174.6 | 154.2 | -11.3 | 109.7 | A110 I141 S179 V180 | A110-R185 WeakPolarHBondContact CB-O 3.5Å; I141-R185 HydrophobicContact CD1-CG 4.46Å; S179-R185 CarbonylContact O-C 3.59Å; S179-R185 WeakPolarHBondContact O-CA 3.46Å; V180-R185 HydrophobicContact CG1-CG 4.39Å; V180-R185 HydrophobicContact CG2-CG 4.16Å |
| 186 | S | 91.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 162.8 | 165.4 | 74.4 | 0 | 0 | 0 | 0 | 110.2 | M178 S179 | M178-S186 WeakPolarHBondContact CA-OG 3.33Å; S179-S186 PolarHBondContact N-OG 3.38Å; S179-S186 PolarHBondContact O-N 3.02Å; S179-S186 WeakPolarHBondContact OG-CB 3.07Å; S179-S186 PolarHBondContact OG-OG 2.84Å |
| 187 | Q | 90.1 | Very high | 91.3 | Very high | 98 Ų | 98 | 50 Ų | 50 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 153.9 | 156.1 | 59.4 | -169.6 | 82.8 | 0 | 0 | 110.1 | V113 | V113-Q187 HydrophobicContact CG2-CG 3.31Š|
| 188 | P | 91.3 | Very high | 91.3 | Very high | 67 Ų | 67 | 50 Ų | 50 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 149.4 | 175.3 | -22.5 | 33.2 | 0 | 0 | 0 | 112.5 | M178 | M178-P188 HydrophobicContact CG-CB 4.24Å; M178-P188 HydrophobicContact CG-CG 4.16Å; M178-P188 HydrophobicContact SD-CG 4.08Å |
| 189 | S | 94 | Very high | 91.3 | Very high | 8 Ų | 8 | 52 Ų | 52 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -57 | 165.2 | 166.4 | 71.2 | 0 | 0 | 0 | 0 | 111.9 | P114 S176 V177 | P114-S189 WeakPolarHBondContact O-CB 3.36Å; S176-S189 WeakPolarHBondContact CA-OG 3.46Å; V177-S189 PolarHBondContact N-OG 3.35Å; V177-S189 WeakPolarHBondContact O-CB 3.46Å; V177-S189 PolarHBondContact O-N 2.61Å |
| 190 | Y | 91.3 | Very high | 91.3 | Very high | 214 Ų | 214 | 52.9 Ų | 52.9 | 84% | 0.839 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 134 | 158.6 | -74.2 | -74.1 | 0 | 0 | 0 | 109 | ||
| 191 | P | 91.3 | Very high | 91.3 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 150.6 | -175.6 | 29.8 | -34.2 | 0 | 0 | 0 | 112 | T174 L175 | T174-P191 HydrophobicContact CG2-CB 3.54Å; T174-P191 HydrophobicContact CG2-CG 4.36Å; L175-P191 CarbonylContact O-C 3.57Å; L175-P191 VanDerWaalsContact O-CA 3.22Å; L175-P191 WeakPolarHBondContact O-CA 3.26Å |
| 192 | I | 93.6 | Very high | 91.5 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 30% | 0.303 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.3 | 167.7 | -164.1 | 169.1 | 0 | 0 | 0 | 109.3 | I116 A119 L175 | I116-I192 HydrophobicContact CB-CG2 4.5Å; I116-I192 HydrophobicContact CD1-CG2 3.87Å; I116-I192 HydrophobicContact CG2-CD1 4.47Å; I116-I192 HydrophobicContact CG2-CG2 3.88Å; A119-I192 HydrophobicContact CB-CG2 3.68Å; L175-I192 HydrophobicContact CB-CG2 4.12Å; L175-I192 PolarHBondContact N-O 3.33Å; L175-I192 PolarHBondContact O-N 3.04Å |
| 193 | E | 92.5 | Very high | 91.9 | Very high | 111 Ų | 111 | 55.1 Ų | 55.1 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 137.1 | 170.8 | -66.5 | -168.3 | -178.6 | 0 | 0 | 110.7 | K147 Y173 | K147-E193 WeakPolarHBondContact CE-OE1 3.46Å; K147-E193 VanDerWaalsContact NZ-CD 3.33Å; K147-E193 IonicContact NZ-OE1 3.25Å; K147-E193 PolarHBondContact NZ-OE1 2.75Å; K147-E193 IonicContact NZ-OE2 3.73Å; K147-E193 PolarHBondContact NZ-OE2 3.11Å; Y173-E193 WeakPolarHBondContact O-CA 3.41Å |
| 194 | A | 92.5 | Very high | 92.5 | Very high | 13 Ų | 13 | 60 Ų | 60 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 148.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A119 I127 Y173 L175 | A119-A194 HydrophobicContact CB-CB 4.03Å; I127-A194 HydrophobicContact CD1-CB 4.3Å; I127-A194 WeakPolarHBondContact CD1-O 3.08Å; I127-A194 HydrophobicContact CG2-CB 4.17Å; Y173-A194 PolarHBondContact N-O 3.03Å; Y173-A194 PolarHBondContact O-N 2.89Å; L175-A194 HydrophobicContact CD1-CB 3.66Å |
| 195 | R | 91.3 | Very high | 92.9 | Very high | 56 Ų | 56 | 59.9 Ų | 59.9 | 21% | 0.211 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142.7 | 177.3 | -158.5 | 179.2 | -71.4 | 166 | -8 | 110.7 | S121 Y170 T171 D172 E269 | S121-R195 WeakPolarHBondContact CB-O 3.46Å; Y170-R195 PolarHBondContact OH-NH1 2.9Å; Y170-R195 VanDerWaalsContact OH-NH1 3.15Å; T171-R195 WeakPolarHBondContact O-CA 3.4Å; T171-R195 WeakPolarHBondContact O-CG 3.35Å; D172-R195 WeakPolarHBondContact OD1-CB 2.97Å; D172-R195 WeakPolarHBondContact OD1-CG 3.35Å; D172-R195 IonicContact OD1-CZ 2.96Å; D172-R195 IonicContact OD1-NE 3.85Å; D172-R195 PolarHBondContact OD1-NE 3.21Å; D172-R195 IonicContact OD1-NH2 3.96Å; D172-R195 PolarHBondContact OD1-NH2 2.86Å; D172-R195 IonicContact OD2-CZ 2.94Å; D172-R195 IonicContact OD2-NE 2.76Å; D172-R195 PolarHBondContact OD2-NE 2.77Å; D172-R195 IonicContact OD2-NH2 2.72Å; D172-R195 PolarHBondContact OD2-NH2 2.86Å; R195-E269 IonicContact NH1-OE1 2.69Å; R195-E269 IonicContact NH1-OE2 3.36Å; R195-E269 PolarHBondContact NH1-OE2 2.83Å |
| 196 | T | 93.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 153.7 | 162.3 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | S121 S124 I127 L167 Q168 Y170 T171 Y173 | S121-T196 WeakPolarHBondContact OG-CA 2.99Å; S124-T196 VanDerWaalsContact O-CB 3.3Å; S124-T196 WeakPolarHBondContact O-CB 3.1Å; S124-T196 WeakPolarHBondContact O-CG2 3.23Å; I127-T196 HydrophobicContact CD1-CG2 4.12Å; I127-T196 HydrophobicContact CG1-CG2 3.93Å; L167-T196 HydrophobicContact CB-CG2 3.78Å; L167-T196 HydrophobicContact CD1-CG2 3.85Å; L167-T196 HydrophobicContact CG-CG2 4.47Å; Q168-T196 WeakPolarHBondContact O-CB 3.03Å; Q168-T196 PolarHBondContact O-OG1 3.19Å; Y170-T196 WeakPolarHBondContact CA-O 3.23Å; Y170-T196 PolarHBondContact N-OG1 2.94Å; T171-T196 PolarHBondContact N-OG1 3.42Å; T171-T196 PolarHBondContact O-N 2.96Å; T171-T196 VanDerWaalsContact O-N 3.14Å; T171-T196 PolarHBondContact O-OG1 2.84Å; Y173-T196 HydrophobicContact CD2-CG2 4.4Å; Y173-T196 HydrophobicContact CE2-CG2 4.22Å |
| 197 | V | 93.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 173 | 176 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | S121 N123 S124 Y170 R271 | S121-V197 PolarHBondContact OG-N 3.17Å; N123-V197 VanDerWaalsContact C-CG2 3.46Å; S124-V197 WeakPolarHBondContact CA-O 3.4Å; S124-V197 WeakPolarHBondContact CB-O 3.42Å; Y170-V197 PolarHBondContact N-O 2.89Å; Y170-V197 VanDerWaalsContact N-O 3.12Å; V197-R271 HydrophobicContact CG1-CB 4.44Å |
| 198 | V | 94.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 156.1 | 175.4 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | Y170 V220 H222 A265 D267 G273 D274 | Y170-V198 HydrophobicContact CD2-CG1 3.58Å; Y170-V198 HydrophobicContact CE2-CG1 4.25Å; Y170-V198 HydrophobicContact CG-CG1 4.09Å; V198-V220 HydrophobicContact CB-CG1 4.23Å; V198-H222 HydrophobicContact CG1-CB 4.36Å; V198-A265 HydrophobicContact CG2-CB 3.74Å; V198-D267 HydrophobicContact CG1-CB 4.14Å; V198-G273 CarbonylContact O-C 3.52Å; V198-G273 WeakPolarHBondContact O-CA 3.46Å; V198-D274 PolarHBondContact O-N 2.6Å |
| 199 | V | 94.4 | Very high | 93.5 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 158.5 | 176.2 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | P169 V220 | P169-V199 HydrophobicContact CB-CG1 3.69Å; P169-V199 HydrophobicContact CG-CG1 3.4Å; V199-V220 HydrophobicContact CG2-CG1 3.66Å; V199-V220 HydrophobicContact CG2-CG2 4.34Å |
| 200 | A | 93.4 | Very high | 93.4 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 143.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K202 D274 L276 | A200-K202 PolarHBondContact O-N 2.64Å; A200-D274 WeakPolarHBondContact CA-O 3.31Å; A200-D274 HydrophobicContact CB-CB 3.94Å; A200-D274 WeakPolarHBondContact CB-O 3.49Å; A200-L276 HydrophobicContact CB-CB 3.83Å |
| 201 | P | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 128 | 172 | 27.9 | -33.3 | 0 | 0 | 0 | 110.8 | M203 W217 V220 Y226 | P201-M203 PolarHBondContact O-N 3.34Å; P201-W217 HydrophobicContact CB-CB 4.23Å; P201-W217 HydrophobicContact CB-CD2 4.41Å; P201-W217 HydrophobicContact CB-CG 3.84Å; P201-V220 HydrophobicContact CB-CG2 4.11Å; P201-Y226 HydrophobicContact CB-CD1 4.16Å; P201-Y226 HydrophobicContact CB-CE1 4.24Å; P201-Y226 HydrophobicContact CG-CD1 4.23Å |
| 202 | K | 93.8 | Very high | 93.7 | Very high | 179 Ų | 179 | 44.5 Ų | 44.5 | 78% | 0.778 | 24% | 0.24 | S | C | * | . | trans | -77.4 | 89.6 | 175.3 | -67.7 | -176.7 | -178.1 | 177.1 | 0 | 110 | A200 W217 | A200-K202 PolarHBondContact O-N 2.64Å; K202-W217 VanDerWaalsContact O-CB 3.3Å; K202-W217 WeakPolarHBondContact O-CB 3.05Å | ||
| 203 | M | 95.1 | Very high | 93.8 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -77.6 | 138.2 | -177.5 | -63.1 | -179.6 | -62.1 | 0 | 0 | 112.7 | P201 V215 T216 W217 L228 I261 L276 V278 | P201-M203 PolarHBondContact O-N 3.34Å; M203-V215 HydrophobicContact CB-CG1 3.91Å; M203-V215 HydrophobicContact CG-CG1 3.96Å; M203-V215 HydrophobicContact SD-CG1 3.87Å; M203-T216 CarbonylContact C-O 3.41Å; M203-T216 WeakPolarHBondContact CA-O 3.48Å; M203-W217 HydrophobicContact CG-CE3 4.23Å; M203-L228 HydrophobicContact SD-CD2 4.15Å; M203-L228 HydrophobicContact SD-CG 4.31Å; M203-I261 WeakPolarHBondContact CE-O 3.46Å; M203-I261 HydrophobicContact SD-CG2 4.18Å; M203-L276 WeakPolarHBondContact CE-O 3.17Å; M203-V278 HydrophobicContact CB-CG2 4.33Å; M203-V278 HydrophobicContact CE-CG2 4.25Å | ||
| 204 | N | 94.5 | Very high | 93.9 | Very high | 115 Ų | 115 | 38.9 Ų | 38.9 | 62% | 0.615 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 138 | 166.6 | -173.9 | 25.3 | 0 | 0 | 0 | 108.9 | V215 T216 | N204-V215 WeakPolarHBondContact O-CA 2.81Å; N204-T216 PolarHBondContact N-O 2.83Å; N204-T216 PolarHBondContact O-N 3.33Å; N204-T216 PolarHBondContact O-OG1 3.2Å |
| 205 | T | 95 | Very high | 94.1 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.2 | -167.3 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | L214 V215 I261 V278 Q280 | T205-L214 WeakPolarHBondContact CA-O 3.17Å; T205-V215 HydrophobicContact CG2-CG1 4.13Å; T205-V215 HydrophobicContact CG2-CG2 4.17Å; T205-I261 HydrophobicContact CG2-CD1 4.41Å; T205-V278 HydrophobicContact CG2-CB 4.29Å; T205-V278 HydrophobicContact CG2-CG1 3.81Å; T205-Q280 PolarHBondContact O-NE2 2.99Å |
| 206 | S | 94.3 | Very high | 94.4 | Very high | 57 Ų | 57 | 38 Ų | 38 | 40% | 0.399 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 155.5 | 171.6 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | I213 L214 | S206-I213 CarbonylContact O-C 3.48Å; S206-I213 WeakPolarHBondContact O-CA 3.44Å; S206-L214 PolarHBondContact N-O 2.78Å; S206-L214 PolarHBondContact O-N 2.85Å |
| 207 | S | 95.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | trans | -113.9 | 106.1 | 172.3 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | S209 S212 I281 T282 R283 | S207-S209 PolarHBondContact OG-O 3.12Å; S207-S212 WeakPolarHBondContact CA-O 3.42Å; S207-S212 WeakPolarHBondContact CB-O 3.4Å; S207-S212 PolarHBondContact OG-O 2.97Å; S207-I281 WeakPolarHBondContact CB-O 3.47Å; S207-T282 WeakPolarHBondContact OG-CA 3.41Å; S207-R283 PolarHBondContact O-NE 3Å; S207-R283 PolarHBondContact OG-N 2.87Å | ||
| 208 | P | 92.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 47% | 0.468 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -81.1 | -28.7 | -177 | 29 | -30.5 | 0 | 0 | 0 | 113.1 | S212 R283 | P208-S212 WeakPolarHBondContact CD-OG 3.49Å; P208-S212 WeakPolarHBondContact CG-OG 3.21Å; P208-R283 PolarHBondContact O-NE 2.88Å |
| 209 | S | 93.1 | Very high | 94.5 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -124.6 | -178.6 | 174.8 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | S207 D211 S212 | S207-S209 PolarHBondContact OG-O 3.12Å; S209-D211 VanDerWaalsContact C-N 3.29Å; S209-D211 VanDerWaalsContact CB-OD1 3.28Å; S209-D211 WeakPolarHBondContact CB-OD1 3.35Å; S209-D211 PolarHBondContact OG-N 2.86Å; S209-D211 PolarHBondContact OG-OD1 3.44Å; S209-S212 WeakPolarHBondContact OG-CB 3.41Å; S209-S212 PolarHBondContact OG-N 2.69Å; S209-S212 PolarHBondContact OG-OG 2.82Å |
| 210 | N | 92.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -73.9 | -18.2 | 172.7 | 63.3 | -32.6 | 0 | 0 | 0 | 112.9 | P255 T282 R283 D285 | N210-P255 HydrophobicContact CB-CB 3.97Å; N210-P255 VanDerWaalsContact O-CA 3.24Å; N210-P255 WeakPolarHBondContact O-CA 3.43Å; N210-T282 WeakPolarHBondContact O-CB 3.46Å; N210-R283 HydrophobicContact CB-CB 4.4Å; N210-D285 PolarHBondContact ND2-OD1 2.93Å |
| 211 | D | 94.1 | Very high | 94.4 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -117 | 8.8 | -174.5 | 70.6 | -30.8 | 0 | 0 | 0 | 114.7 | S209 D251 N252 L253 | S209-D211 VanDerWaalsContact C-N 3.29Å; S209-D211 VanDerWaalsContact CB-OD1 3.28Å; S209-D211 WeakPolarHBondContact CB-OD1 3.35Å; S209-D211 PolarHBondContact OG-N 2.86Å; S209-D211 PolarHBondContact OG-OD1 3.44Å; D211-D251 CarbonylContact O-C 3.55Å; D211-N252 PolarHBondContact O-N 3.08Å; D211-N252 VanDerWaalsContact O-N 3.13Å; D211-L253 WeakPolarHBondContact CA-O 3.45Å; D211-L253 WeakPolarHBondContact O-CB 3.45Å; D211-L253 PolarHBondContact O-N 2.87Å |
| 212 | S | 94.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | trans | -139.3 | 153.4 | -178.7 | 72.4 | 0 | 0 | 0 | 0 | 115.7 | S207 P208 S209 F250 D251 | S207-S212 WeakPolarHBondContact CA-O 3.42Å; S207-S212 WeakPolarHBondContact CB-O 3.4Å; S207-S212 PolarHBondContact OG-O 2.97Å; P208-S212 WeakPolarHBondContact CD-OG 3.49Å; P208-S212 WeakPolarHBondContact CG-OG 3.21Å; S209-S212 WeakPolarHBondContact OG-CB 3.41Å; S209-S212 PolarHBondContact OG-N 2.69Å; S209-S212 PolarHBondContact OG-OG 2.82Å; S212-F250 CarbonylContact C-O 3.57Å; S212-F250 WeakPolarHBondContact CA-O 3.45Å; S212-F250 WeakPolarHBondContact CB-O 3.48Å; S212-D251 WeakPolarHBondContact CB-OD1 3.21Å | ||
| 213 | I | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.7 | 170.7 | -68 | 170.5 | 0 | 0 | 0 | 109 | S206 V215 M230 F250 L253 Y259 I261 Q280 T282 | S206-I213 CarbonylContact O-C 3.48Å; S206-I213 WeakPolarHBondContact O-CA 3.44Å; I213-V215 HydrophobicContact CG2-CG2 4.04Å; I213-M230 HydrophobicContact CB-CE 4.22Å; I213-M230 HydrophobicContact CD1-CE 4.11Å; I213-M230 HydrophobicContact CG2-CE 4.41Å; I213-F250 PolarHBondContact N-O 2.91Å; I213-F250 PolarHBondContact O-N 3.49Å; I213-L253 HydrophobicContact CB-CD1 3.96Å; I213-L253 HydrophobicContact CD1-CD1 3.77Å; I213-L253 HydrophobicContact CG1-CD1 3.71Å; I213-Y259 HydrophobicContact CD1-CD2 3.76Å; I213-Y259 HydrophobicContact CD1-CG 4.08Å; I213-I261 HydrophobicContact CG2-CD1 4.38Å; I213-Q280 HydrophobicContact CD1-CB 4.16Å; I213-Q280 HydrophobicContact CD1-CG 4.16Å; I213-Q280 HydrophobicContact CG1-CG 4.19Å; I213-Q280 HydrophobicContact CG2-CB 4.34Å; I213-Q280 HydrophobicContact CG2-CG 4.18Å; I213-T282 HydrophobicContact CD1-CG2 4.07Å; I213-T282 HydrophobicContact CG1-CG2 4Å |
| 214 | L | 95.4 | Very high | 94.1 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.4 | 170.4 | 175.8 | 63.5 | 0 | 0 | 0 | 109.6 | T205 S206 T216 W247 | T205-L214 WeakPolarHBondContact CA-O 3.17Å; S206-L214 PolarHBondContact N-O 2.78Å; S206-L214 PolarHBondContact O-N 2.85Å; L214-T216 HydrophobicContact CD1-CG2 4.19Å; L214-T216 HydrophobicContact CD2-CG2 4.36Å; L214-T216 HydrophobicContact CG-CG2 4.11Å; L214-W247 HydrophobicContact CD1-CE3 4.23Å |
| 215 | V | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.1 | 175.2 | -169.2 | 0 | 0 | 0 | 0 | 108.6 | M203 N204 T205 I213 W217 L228 W247 V248 F250 I261 | M203-V215 HydrophobicContact CB-CG1 3.91Å; M203-V215 HydrophobicContact CG-CG1 3.96Å; M203-V215 HydrophobicContact SD-CG1 3.87Å; N204-V215 WeakPolarHBondContact O-CA 2.81Å; T205-V215 HydrophobicContact CG2-CG1 4.13Å; T205-V215 HydrophobicContact CG2-CG2 4.17Å; I213-V215 HydrophobicContact CG2-CG2 4.04Å; V215-W217 HydrophobicContact CB-CZ3 4.28Å; V215-W217 HydrophobicContact CG1-CE3 4.05Å; V215-W217 HydrophobicContact CG1-CZ3 3.97Å; V215-L228 HydrophobicContact CB-CD2 4.2Å; V215-L228 HydrophobicContact CG1-CD2 3.97Å; V215-W247 CarbonylContact O-C 3.56Å; V215-W247 WeakPolarHBondContact O-CA 3.22Å; V215-V248 PolarHBondContact N-O 3.25Å; V215-V248 PolarHBondContact O-N 3.4Å; V215-F250 HydrophobicContact CG2-CD2 4Å; V215-F250 HydrophobicContact CG2-CE2 3.85Å; V215-I261 HydrophobicContact CG2-CG1 4.41Å |
| 216 | T | 96.5 | Very high | 94.1 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 32% | 0.319 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.5 | 179.2 | 55 | 0 | 0 | 0 | 0 | 110.8 | M203 N204 L214 W247 | M203-T216 CarbonylContact C-O 3.41Å; M203-T216 WeakPolarHBondContact CA-O 3.48Å; N204-T216 PolarHBondContact N-O 2.83Å; N204-T216 PolarHBondContact O-N 3.33Å; N204-T216 PolarHBondContact O-OG1 3.2Å; L214-T216 HydrophobicContact CD1-CG2 4.19Å; L214-T216 HydrophobicContact CD2-CG2 4.36Å; L214-T216 HydrophobicContact CG-CG2 4.11Å; T216-W247 HydrophobicContact CG2-CB 3.9Å |
| 217 | W | 96 | Very high | 94.1 | Very high | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.045 | 28% | 0.278 | C | S | . | . | trans | -144.8 | 173.6 | 174.6 | 54.1 | 102.1 | 0 | 0 | 0 | 110.8 | P201 K202 M203 V215 Y226 L228 T243 D245 T246 V248 | P201-W217 HydrophobicContact CB-CB 4.23Å; P201-W217 HydrophobicContact CB-CD2 4.41Å; P201-W217 HydrophobicContact CB-CG 3.84Å; K202-W217 VanDerWaalsContact O-CB 3.3Å; K202-W217 WeakPolarHBondContact O-CB 3.05Å; M203-W217 HydrophobicContact CG-CE3 4.23Å; V215-W217 HydrophobicContact CB-CZ3 4.28Å; V215-W217 HydrophobicContact CG1-CE3 4.05Å; V215-W217 HydrophobicContact CG1-CZ3 3.97Å; W217-Y226 AromaticContact CE2-CG 3.93Å; W217-Y226 HydrophobicContact CZ2-CD1 4.46Å; W217-Y226 AromaticContact CZ2-CD2 3.89Å; W217-Y226 HydrophobicContact CZ2-CD2 3.89Å; W217-Y226 AromaticContact CZ2-CG 3.8Å; W217-Y226 HydrophobicContact CZ2-CG 3.8Å; W217-Y226 AromaticContact NE1-CD1 3.47Å; W217-Y226 AromaticContact NE1-CD2 3.57Å; W217-Y226 AromaticContact NE1-CE1 3.46Å; W217-Y226 AromaticContact NE1-CE2 3.59Å; W217-Y226 AromaticContact NE1-CG 3.54Å; W217-Y226 AromaticContact NE1-CZ 3.54Å; W217-L228 HydrophobicContact CH2-CD1 3.5Å; W217-L228 VanDerWaalsContact CH2-CD1 3.5Å; W217-L228 HydrophobicContact CH2-CD2 3.8Å; W217-L228 HydrophobicContact CH2-CG 4.31Å; W217-L228 HydrophobicContact CZ2-CD1 3.89Å; W217-L228 HydrophobicContact CZ3-CD1 4.11Å; W217-L228 HydrophobicContact CZ3-CD2 3.63Å; W217-L228 HydrophobicContact CZ3-CG 4.49Å; W217-T243 HydrophobicContact CH2-CG2 3.97Å; W217-T243 HydrophobicContact CZ2-CG2 3.91Å; W217-D245 WeakPolarHBondContact CZ2-O 3.15Å; W217-T246 PolarHBondContact N-O 3.02Å; W217-T246 WeakPolarHBondContact O-CB 3.29Å; W217-V248 HydrophobicContact CH2-CB 4.48Å; W217-V248 HydrophobicContact CH2-CG2 4.02Å | ||
| 218 | H | 94.3 | Very high | 94.2 | Very high | 161 Ų | 161 | 52.7 Ų | 52.7 | 75% | 0.745 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 149.3 | 168.5 | -64.2 | -24.1 | 0 | 0 | 0 | 110.3 | V220 | H218-V220 PolarHBondContact O-N 3Š|
| 219 | P | 93.5 | Very high | 94.3 | Very high | 100 Ų | 100 | 50.4 Ų | 50.4 | 65% | 0.649 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 128.8 | 176.5 | -20.2 | 27.2 | 0 | 0 | 0 | 111.3 | T246 | P219-T246 HydrophobicContact CB-CG2 4.2Å; P219-T246 HydrophobicContact CG-CG2 3.86Å |
| 220 | V | 94.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -82.2 | 129.1 | 169.2 | 174 | 0 | 0 | 0 | 0 | 108 | V198 V199 P201 H218 A223 Y226 A265 | V198-V220 HydrophobicContact CB-CG1 4.23Å; V199-V220 HydrophobicContact CG2-CG1 3.66Å; V199-V220 HydrophobicContact CG2-CG2 4.34Å; P201-V220 HydrophobicContact CB-CG2 4.11Å; H218-V220 PolarHBondContact O-N 3Å; V220-A223 HydrophobicContact CB-CB 3.81Å; V220-A223 HydrophobicContact CG1-CB 3.97Å; V220-A223 WeakPolarHBondContact O-CB 3.24Å; V220-A223 PolarHBondContact O-N 2.83Å; V220-Y226 HydrophobicContact CB-CE1 4.03Å; V220-Y226 HydrophobicContact CG2-CE1 3.95Å; V220-Y226 PolarHBondContact N-OH 2.89Å; V220-A265 HydrophobicContact CB-CB 4.45Å; V220-A265 HydrophobicContact CG1-CB 4.32Å |
| 221 | E | 91.4 | Very high | 94.4 | Very high | 152 Ų | 152 | 49 Ų | 49 | 71% | 0.71 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 138.8 | 178.9 | -158.4 | 172.9 | -175.4 | 0 | 0 | 110.8 | A223 | E221-A223 PolarHBondContact O-N 2.93Š|
| 222 | H | 90.6 | Very high | 94.3 | Very high | 100 Ų | 100 | 50.5 Ų | 50.5 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 2.7 | -174.6 | -46.5 | -66.5 | 0 | 0 | 0 | 117 | Y170 V198 | Y170-H222 HydrophobicContact CD1-CB 3.54Å; Y170-H222 AromaticContact CD1-CD2 3.14Å; Y170-H222 WeakPolarHBondContact CD1-CD2 3.25Å; Y170-H222 AromaticContact CD1-CG 3.28Å; Y170-H222 AromaticContact CD1-NE2 3.81Å; Y170-H222 HydrophobicContact CD2-CB 4.24Å; Y170-H222 HydrophobicContact CE1-CB 3.49Å; Y170-H222 VanDerWaalsContact CE1-CB 3.49Å; Y170-H222 AromaticContact CE1-CD2 3.76Å; Y170-H222 AromaticContact CE1-CG 3.39Å; Y170-H222 AromaticContact CE1-ND1 3.82Å; Y170-H222 HydrophobicContact CE2-CB 4.2Å; Y170-H222 HydrophobicContact CG-CB 3.9Å; Y170-H222 AromaticContact CG-CD2 3.8Å; V198-H222 HydrophobicContact CG1-CB 4.36Å |
| 223 | A | 92.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | trans | -78.5 | 130.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V220 E221 Y226 A265 W266 | V220-A223 HydrophobicContact CB-CB 3.81Å; V220-A223 HydrophobicContact CG1-CB 3.97Å; V220-A223 WeakPolarHBondContact O-CB 3.24Å; V220-A223 PolarHBondContact O-N 2.83Å; E221-A223 PolarHBondContact O-N 2.93Å; A223-Y226 HydrophobicContact CB-CE1 4.04Å; A223-A265 HydrophobicContact CB-CB 3.91Å; A223-W266 CarbonylContact C-O 3.58Å; A223-W266 VanDerWaalsContact CA-O 3.29Å; A223-W266 WeakPolarHBondContact CA-O 3.29Å | ||
| 224 | I | 92.4 | Very high | 93.2 | Very high | 100 Ų | 100 | 60.5 Ų | 60.5 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | trans | -101.1 | -14.4 | 175.8 | 61.9 | 156.2 | 0 | 0 | 0 | 113.3 | W266 D267 A268 | I224-W266 PolarHBondContact N-O 2.83Å; I224-D267 WeakPolarHBondContact CG1-O 3.19Å; I224-A268 HydrophobicContact CG2-CB 4.24Å | ||
| 225 | R | 94.1 | Very high | 92.8 | Very high | 104 Ų | 104 | 60 Ų | 60 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 150.7 | -174.2 | 175.2 | -177.9 | 173.6 | -179.5 | -1.4 | 110.3 | N242 W266 | R225-N242 PolarHBondContact NH2-ND2 3.16Å; R225-N242 PolarHBondContact NH2-OD1 3.43Å; R225-W266 HydrophobicContact CB-CB 4.24Å; R225-W266 PolarHBondContact O-N 2.9Å |
| 226 | Y | 95.9 | Very high | 92.3 | Very high | 8 Ų | 8 | 65.1 Ų | 65.1 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147 | 171.4 | -54 | -81.9 | 0 | 0 | 0 | 110.7 | P201 W217 V220 A223 N242 T243 D245 T246 M264 A265 | P201-Y226 HydrophobicContact CB-CD1 4.16Å; P201-Y226 HydrophobicContact CB-CE1 4.24Å; P201-Y226 HydrophobicContact CG-CD1 4.23Å; W217-Y226 AromaticContact CE2-CG 3.93Å; W217-Y226 HydrophobicContact CZ2-CD1 4.46Å; W217-Y226 AromaticContact CZ2-CD2 3.89Å; W217-Y226 HydrophobicContact CZ2-CD2 3.89Å; W217-Y226 AromaticContact CZ2-CG 3.8Å; W217-Y226 HydrophobicContact CZ2-CG 3.8Å; W217-Y226 AromaticContact NE1-CD1 3.47Å; W217-Y226 AromaticContact NE1-CD2 3.57Å; W217-Y226 AromaticContact NE1-CE1 3.46Å; W217-Y226 AromaticContact NE1-CE2 3.59Å; W217-Y226 AromaticContact NE1-CG 3.54Å; W217-Y226 AromaticContact NE1-CZ 3.54Å; V220-Y226 HydrophobicContact CB-CE1 4.03Å; V220-Y226 HydrophobicContact CG2-CE1 3.95Å; V220-Y226 PolarHBondContact N-OH 2.89Å; A223-Y226 HydrophobicContact CB-CE1 4.04Å; Y226-N242 WeakPolarHBondContact O-CA 3.41Å; Y226-T243 PolarHBondContact N-O 3.22Å; Y226-T243 PolarHBondContact O-N 2.94Å; Y226-D245 WeakPolarHBondContact CD2-O 3.14Å; Y226-T246 HydrophobicContact CE2-CG2 4.46Å; Y226-M264 CarbonylContact C-O 3.57Å; Y226-M264 WeakPolarHBondContact CA-O 3.43Å; Y226-A265 HydrophobicContact CD1-CB 3.94Å; Y226-A265 HydrophobicContact CE1-CB 3.93Å |
| 227 | T | 95.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.043 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.3 | 167.5 | -63 | 0 | 0 | 0 | 0 | 108.9 | I229 I240 V241 N242 M264 W266 | T227-I229 HydrophobicContact CG2-CG1 4.24Å; T227-I240 HydrophobicContact CG2-CG2 3.75Å; T227-V241 WeakPolarHBondContact CA-O 3.29Å; T227-N242 PolarHBondContact OG1-OD1 3.39Å; T227-M264 HydrophobicContact CG2-CE 4.41Å; T227-M264 PolarHBondContact N-O 3.37Å; T227-M264 PolarHBondContact O-N 2.85Å; T227-W266 PolarHBondContact OG1-NE1 2.97Å |
| 228 | L | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.1 | 174.7 | -75.8 | 74.1 | 0 | 0 | 0 | 108.6 | M203 V215 W217 I240 V241 V248 F250 I261 K262 | M203-L228 HydrophobicContact SD-CD2 4.15Å; M203-L228 HydrophobicContact SD-CG 4.31Å; V215-L228 HydrophobicContact CB-CD2 4.2Å; V215-L228 HydrophobicContact CG1-CD2 3.97Å; W217-L228 HydrophobicContact CH2-CD1 3.5Å; W217-L228 VanDerWaalsContact CH2-CD1 3.5Å; W217-L228 HydrophobicContact CH2-CD2 3.8Å; W217-L228 HydrophobicContact CH2-CG 4.31Å; W217-L228 HydrophobicContact CZ2-CD1 3.89Å; W217-L228 HydrophobicContact CZ3-CD1 4.11Å; W217-L228 HydrophobicContact CZ3-CD2 3.63Å; W217-L228 HydrophobicContact CZ3-CG 4.49Å; L228-I240 WeakPolarHBondContact O-CA 3.42Å; L228-V241 PolarHBondContact N-O 3.07Å; L228-V241 PolarHBondContact O-N 3.42Å; L228-V248 HydrophobicContact CD2-CB 4.29Å; L228-V248 HydrophobicContact CD2-CG2 4.43Å; L228-F250 HydrophobicContact CB-CZ 4.02Å; L228-F250 HydrophobicContact CD2-CE2 4.15Å; L228-F250 HydrophobicContact CD2-CZ 4.33Å; L228-I261 HydrophobicContact CB-CG2 4.19Å; L228-I261 HydrophobicContact CD2-CG2 4Å; L228-I261 HydrophobicContact CG-CG2 4.31Å; L228-K262 CarbonylContact C-O 3.55Å; L228-K262 WeakPolarHBondContact CA-O 3.39Å |
| 229 | I | 94.6 | Very high | 91.2 | Very high | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 104.7 | 177 | -54.4 | -174.8 | 0 | 0 | 0 | 107.6 | T227 I231 R238 L239 I240 I261 K262 M264 | T227-I229 HydrophobicContact CG2-CG1 4.24Å; I229-I231 HydrophobicContact CG2-CG1 4.23Å; I229-R238 HydrophobicContact CG2-CB 3.95Å; I229-R238 HydrophobicContact CG2-CG 4.27Å; I229-L239 CarbonylContact C-O 3.56Å; I229-L239 WeakPolarHBondContact CA-O 3.32Å; I229-I240 HydrophobicContact CG1-CG1 4.21Å; I229-I240 HydrophobicContact CG1-CG2 4.4Å; I229-I240 HydrophobicContact CG2-CG1 4.33Å; I229-I261 WeakPolarHBondContact O-CA 3.46Å; I229-K262 HydrophobicContact CB-CB 4.43Å; I229-K262 PolarHBondContact N-O 2.85Å; I229-K262 PolarHBondContact O-N 2.86Å; I229-M264 HydrophobicContact CD1-CE 3.58Å; I229-M264 HydrophobicContact CG1-CE 4Å |
| 230 | M | 94.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 135 | 173 | 176.8 | 178.2 | -83.6 | 0 | 0 | 110.3 | I213 R238 L239 F250 L253 Y259 I261 | I213-M230 HydrophobicContact CB-CE 4.22Å; I213-M230 HydrophobicContact CD1-CE 4.11Å; I213-M230 HydrophobicContact CG2-CE 4.41Å; M230-R238 WeakPolarHBondContact O-CA 3.42Å; M230-L239 HydrophobicContact CB-CB 4.37Å; M230-L239 PolarHBondContact N-O 2.68Å; M230-L239 PolarHBondContact O-N 2.03Å; M230-F250 HydrophobicContact CB-CD1 4.21Å; M230-F250 HydrophobicContact CB-CE1 3.84Å; M230-F250 HydrophobicContact CB-CZ 4.11Å; M230-F250 HydrophobicContact CE-CB 3.61Å; M230-F250 HydrophobicContact CE-CD1 3.97Å; M230-F250 HydrophobicContact CE-CD2 3.46Å; M230-F250 VanDerWaalsContact CE-CD2 3.46Å; M230-F250 HydrophobicContact CE-CE1 4.48Å; M230-F250 HydrophobicContact CE-CE2 4.05Å; M230-F250 HydrophobicContact CE-CG 3.41Å; M230-F250 VanDerWaalsContact CE-CG 3.41Å; M230-F250 HydrophobicContact SD-CB 3.96Å; M230-F250 HydrophobicContact SD-CD1 3.87Å; M230-F250 HydrophobicContact SD-CD2 4.44Å; M230-F250 HydrophobicContact SD-CE1 4.44Å; M230-F250 HydrophobicContact SD-CG 3.85Å; M230-L253 HydrophobicContact CE-CD1 4.18Å; M230-L253 HydrophobicContact SD-CD1 4.21Å; M230-L253 HydrophobicContact SD-CD2 3.79Å; M230-Y259 HydrophobicContact CE-CG 4.45Å; M230-Y259 HydrophobicContact CG-CD1 3.91Å; M230-Y259 HydrophobicContact CG-CG 4.38Å; M230-Y259 HydrophobicContact SD-CD1 3.68Å; M230-Y259 HydrophobicContact SD-CE1 4.44Å; M230-Y259 HydrophobicContact SD-CG 4.04Å; M230-I261 HydrophobicContact CB-CG1 4.21Å; M230-I261 HydrophobicContact CE-CD1 3.89Å; M230-I261 HydrophobicContact CE-CG1 3.57Å; M230-I261 HydrophobicContact CG-CG1 4.21Å |
| 231 | I | 93.4 | Very high | 91.3 | Very high | 49 Ų | 49 | 72.3 Ų | 72.3 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.2 | 177.6 | -48.5 | -174.7 | 0 | 0 | 0 | 107.9 | I229 R238 Y259 C260 | I229-I231 HydrophobicContact CG2-CG1 4.23Å; I231-R238 HydrophobicContact CD1-CG 4.23Å; I231-R238 HydrophobicContact CG1-CG 4.17Å; I231-Y259 WeakPolarHBondContact O-CA 3.33Å; I231-C260 PolarHBondContact N-O 2.84Å; I231-C260 PolarHBondContact O-N 2.87Å |
| 232 | R | 92.4 | Very high | 91.4 | Very high | 94 Ų | 94 | 68.8 Ų | 68.8 | 36% | 0.355 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132.7 | 172.4 | -175.9 | -173.9 | -171.8 | -109.4 | 15.2 | 109.3 | G234 S235 D254 I257 Y259 | R232-G234 PolarHBondContact O-N 2.92Å; R232-S235 WeakPolarHBondContact O-CB 3.48Å; R232-S235 PolarHBondContact O-N 3.37Å; R232-D254 IonicContact CZ-OD2 3.02Å; R232-D254 IonicContact NE-OD2 2.66Å; R232-D254 PolarHBondContact NE-OD2 3.07Å; R232-D254 IonicContact NH2-OD2 3.73Å; R232-D254 PolarHBondContact NH2-OD2 2.88Å; R232-I257 HydrophobicContact CG-CG2 3.74Å; R232-Y259 HydrophobicContact CB-CD1 3.88Å; R232-Y259 HydrophobicContact CB-CE1 3.6Å; R232-Y259 HydrophobicContact CG-CD1 4.28Å; R232-Y259 HydrophobicContact CG-CE1 3.69Å |
| 233 | E | 86.1 | Confident | 91.6 | Very high | 129 Ų | 129 | 65 Ų | 65 | 60% | 0.603 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 135.9 | 177 | -172.9 | 168 | -123 | 0 | 0 | 111 | S235 S258 | E233-S235 PolarHBondContact O-N 3.42Å; E233-S258 VanDerWaalsContact CB-O 3.22Å; E233-S258 WeakPolarHBondContact CB-O 3.24Å; E233-S258 PolarHBondContact N-O 3.5Å; E233-S258 WeakPolarHBondContact OE2-CB 3.35Å |
| 234 | G | 81.5 | Confident | 91.6 | Very high | 88 Ų | 88 | 69 Ų | 69 | 91% | 0.907 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -1.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R232 | R232-G234 PolarHBondContact O-N 2.92Š|
| 235 | S | 87.5 | Confident | 91.6 | Very high | 39 Ų | 39 | 68 Ų | 68 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | trans | -107.4 | 155.8 | 175.6 | -166.8 | 0 | 0 | 0 | 0 | 112.8 | R232 E233 T237 | R232-S235 WeakPolarHBondContact O-CB 3.48Å; R232-S235 PolarHBondContact O-N 3.37Å; E233-S235 PolarHBondContact O-N 3.42Å; S235-T237 PolarHBondContact OG-N 3.09Å; S235-T237 PolarHBondContact OG-OG1 2.16Å | ||
| 236 | S | 84.3 | Confident | 91.7 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 76% | 0.762 | 37% | 0.366 | S | S | * | . | trans | -96.8 | -4.8 | 165.5 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 237 | T | 84.4 | Confident | 91.6 | Very high | 94 Ų | 94 | 71.2 Ų | 71.2 | 58% | 0.577 | 39% | 0.389 | S | S | * | . | trans | -67.6 | 135.1 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | S235 | S235-T237 PolarHBondContact OG-N 3.09Å; S235-T237 PolarHBondContact OG-OG1 2.16Å | ||
| 238 | R | 89.1 | Confident | 91.6 | Very high | 172 Ų | 172 | 71.4 Ų | 71.4 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 116.5 | -177.6 | -59.9 | -173.4 | -179.6 | 179.1 | -0.8 | 109.6 | I229 M230 I231 | I229-R238 HydrophobicContact CG2-CB 3.95Å; I229-R238 HydrophobicContact CG2-CG 4.27Å; M230-R238 WeakPolarHBondContact O-CA 3.42Å; I231-R238 HydrophobicContact CD1-CG 4.23Å; I231-R238 HydrophobicContact CG1-CG 4.17Å |
| 239 | L | 91.8 | Very high | 91.6 | Very high | 88 Ų | 88 | 73.9 Ų | 73.9 | 46% | 0.461 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.3 | 170.7 | 178.3 | 57.9 | 0 | 0 | 0 | 108.3 | I229 M230 F250 | I229-L239 CarbonylContact C-O 3.56Å; I229-L239 WeakPolarHBondContact CA-O 3.32Å; M230-L239 HydrophobicContact CB-CB 4.37Å; M230-L239 PolarHBondContact N-O 2.68Å; M230-L239 PolarHBondContact O-N 2.03Å; L239-F250 HydrophobicContact CD2-CD1 3.71Å; L239-F250 HydrophobicContact CD2-CE1 4.15Å; L239-F250 HydrophobicContact CG-CD1 4.33Å; L239-F250 HydrophobicContact CG-CE1 4.27Å |
| 240 | I | 94.1 | Very high | 91.6 | Very high | 95 Ų | 95 | 73 Ų | 73 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.4 | -175.5 | -54.2 | 179.7 | 0 | 0 | 0 | 108.9 | T227 L228 I229 | T227-I240 HydrophobicContact CG2-CG2 3.75Å; L228-I240 WeakPolarHBondContact O-CA 3.42Å; I229-I240 HydrophobicContact CG1-CG1 4.21Å; I229-I240 HydrophobicContact CG1-CG2 4.4Å; I229-I240 HydrophobicContact CG2-CG1 4.33Å |
| 241 | V | 94.9 | Very high | 91.5 | Very high | 42 Ų | 42 | 77 Ų | 77 | 26% | 0.255 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.2 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | T227 L228 V248 F250 | T227-V241 WeakPolarHBondContact CA-O 3.29Å; L228-V241 PolarHBondContact N-O 3.07Å; L228-V241 PolarHBondContact O-N 3.42Å; V241-V248 HydrophobicContact CB-CG1 4.5Å; V241-V248 HydrophobicContact CG1-CG1 4.01Å; V241-V248 HydrophobicContact CG1-CG2 3.93Å; V241-F250 HydrophobicContact CB-CE1 4.24Å; V241-F250 HydrophobicContact CB-CZ 4.39Å; V241-F250 HydrophobicContact CG2-CD1 4.27Å; V241-F250 HydrophobicContact CG2-CE1 3.56Å; V241-F250 HydrophobicContact CG2-CZ 4.18Å |
| 242 | N | 93.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 81.8 Ų | 81.8 | 42% | 0.417 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.3 | 175.8 | -66.8 | -74 | 0 | 0 | 0 | 108.2 | R225 Y226 T227 | R225-N242 PolarHBondContact NH2-ND2 3.16Å; R225-N242 PolarHBondContact NH2-OD1 3.43Å; Y226-N242 WeakPolarHBondContact O-CA 3.41Å; T227-N242 PolarHBondContact OG1-OD1 3.39Å |
| 243 | T | 94 | Very high | 91.5 | Very high | 20 Ų | 20 | 78.1 Ų | 78.1 | 12% | 0.123 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 157 | -179.9 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | W217 Y226 D245 V248 | W217-T243 HydrophobicContact CH2-CG2 3.97Å; W217-T243 HydrophobicContact CZ2-CG2 3.91Å; Y226-T243 PolarHBondContact N-O 3.22Å; Y226-T243 PolarHBondContact O-N 2.94Å; T243-D245 WeakPolarHBondContact CG2-O 3.35Å; T243-D245 WeakPolarHBondContact OG1-CB 3.49Å; T243-D245 PolarHBondContact OG1-N 2.97Å; T243-V248 HydrophobicContact CG2-CG2 3.66Å |
| 244 | T | 92.7 | Very high | 91.8 | Very high | 104 Ų | 104 | 75.3 Ų | 75.3 | 64% | 0.638 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -96.1 | -18.8 | 164.4 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 245 | D | 93.9 | Very high | 92.4 | Very high | 81 Ų | 81 | 72.9 Ų | 72.9 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -73.7 | 163.2 | 178.3 | -61 | -55.3 | 0 | 0 | 0 | 111.8 | W217 Y226 T243 W247 | W217-D245 WeakPolarHBondContact CZ2-O 3.15Å; Y226-D245 WeakPolarHBondContact CD2-O 3.14Å; T243-D245 WeakPolarHBondContact CG2-O 3.35Å; T243-D245 WeakPolarHBondContact OG1-CB 3.49Å; T243-D245 PolarHBondContact OG1-N 2.97Å; D245-W247 VanDerWaalsContact C-N 3.29Å |
| 246 | T | 94.6 | Very high | 92.6 | Very high | 47 Ų | 47 | 71.2 Ų | 71.2 | 29% | 0.288 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -93.4 | 19.7 | 176.9 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | W217 P219 Y226 | W217-T246 PolarHBondContact N-O 3.02Å; W217-T246 WeakPolarHBondContact O-CB 3.29Å; P219-T246 HydrophobicContact CB-CG2 4.2Å; P219-T246 HydrophobicContact CG-CG2 3.86Å; Y226-T246 HydrophobicContact CE2-CG2 4.46Å |
| 247 | W | 95.2 | Very high | 93 | Very high | 132 Ų | 132 | 66.7 Ų | 66.7 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 153 | 177.8 | 65.7 | -81.1 | 0 | 0 | 0 | 110.9 | L214 V215 T216 D245 | L214-W247 HydrophobicContact CD1-CE3 4.23Å; V215-W247 CarbonylContact O-C 3.56Å; V215-W247 WeakPolarHBondContact O-CA 3.22Å; T216-W247 HydrophobicContact CG2-CB 3.9Å; D245-W247 VanDerWaalsContact C-N 3.29Å |
| 248 | V | 94.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 136.2 | 170.8 | 167 | 0 | 0 | 0 | 0 | 108.2 | V215 W217 L228 V241 T243 F250 | V215-V248 PolarHBondContact N-O 3.25Å; V215-V248 PolarHBondContact O-N 3.4Å; W217-V248 HydrophobicContact CH2-CB 4.48Å; W217-V248 HydrophobicContact CH2-CG2 4.02Å; L228-V248 HydrophobicContact CD2-CB 4.29Å; L228-V248 HydrophobicContact CD2-CG2 4.43Å; V241-V248 HydrophobicContact CB-CG1 4.5Å; V241-V248 HydrophobicContact CG1-CG1 4.01Å; V241-V248 HydrophobicContact CG1-CG2 3.93Å; T243-V248 HydrophobicContact CG2-CG2 3.66Å; V248-F250 HydrophobicContact CB-CE2 4.29Å; V248-F250 HydrophobicContact CG1-CD2 3.86Å; V248-F250 HydrophobicContact CG1-CE1 4.31Å; V248-F250 HydrophobicContact CG1-CE2 3.57Å; V248-F250 HydrophobicContact CG1-CG 4.34Å; V248-F250 HydrophobicContact CG1-CZ 3.83Å |
| 249 | T | 95 | Very high | 93.7 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 136.4 | 162.5 | -46.2 | 0 | 0 | 0 | 0 | 109.1 | D251 | T249-D251 VanDerWaalsContact CG2-OD1 3.25Å; T249-D251 WeakPolarHBondContact CG2-OD1 3.48Å |
| 250 | F | 94.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.3 | 168.5 | -66.1 | -90.3 | 0 | 0 | 0 | 108 | S212 I213 V215 L228 M230 L239 V241 V248 L253 I261 | S212-F250 CarbonylContact C-O 3.57Å; S212-F250 WeakPolarHBondContact CA-O 3.45Å; S212-F250 WeakPolarHBondContact CB-O 3.48Å; I213-F250 PolarHBondContact N-O 2.91Å; I213-F250 PolarHBondContact O-N 3.49Å; V215-F250 HydrophobicContact CG2-CD2 4Å; V215-F250 HydrophobicContact CG2-CE2 3.85Å; L228-F250 HydrophobicContact CB-CZ 4.02Å; L228-F250 HydrophobicContact CD2-CE2 4.15Å; L228-F250 HydrophobicContact CD2-CZ 4.33Å; M230-F250 HydrophobicContact CB-CD1 4.21Å; M230-F250 HydrophobicContact CB-CE1 3.84Å; M230-F250 HydrophobicContact CB-CZ 4.11Å; M230-F250 HydrophobicContact CE-CB 3.61Å; M230-F250 HydrophobicContact CE-CD1 3.97Å; M230-F250 HydrophobicContact CE-CD2 3.46Å; M230-F250 VanDerWaalsContact CE-CD2 3.46Å; M230-F250 HydrophobicContact CE-CE1 4.48Å; M230-F250 HydrophobicContact CE-CE2 4.05Å; M230-F250 HydrophobicContact CE-CG 3.41Å; M230-F250 VanDerWaalsContact CE-CG 3.41Å; M230-F250 HydrophobicContact SD-CB 3.96Å; M230-F250 HydrophobicContact SD-CD1 3.87Å; M230-F250 HydrophobicContact SD-CD2 4.44Å; M230-F250 HydrophobicContact SD-CE1 4.44Å; M230-F250 HydrophobicContact SD-CG 3.85Å; L239-F250 HydrophobicContact CD2-CD1 3.71Å; L239-F250 HydrophobicContact CD2-CE1 4.15Å; L239-F250 HydrophobicContact CG-CD1 4.33Å; L239-F250 HydrophobicContact CG-CE1 4.27Å; V241-F250 HydrophobicContact CB-CE1 4.24Å; V241-F250 HydrophobicContact CB-CZ 4.39Å; V241-F250 HydrophobicContact CG2-CD1 4.27Å; V241-F250 HydrophobicContact CG2-CE1 3.56Å; V241-F250 HydrophobicContact CG2-CZ 4.18Å; V248-F250 HydrophobicContact CB-CE2 4.29Å; V248-F250 HydrophobicContact CG1-CD2 3.86Å; V248-F250 HydrophobicContact CG1-CE1 4.31Å; V248-F250 HydrophobicContact CG1-CE2 3.57Å; V248-F250 HydrophobicContact CG1-CG 4.34Å; V248-F250 HydrophobicContact CG1-CZ 3.83Å; F250-L253 HydrophobicContact CB-CD1 4.14Å; F250-L253 HydrophobicContact CB-CD2 4.41Å; F250-I261 HydrophobicContact CE2-CG2 4.33Å |
| 251 | D | 93.4 | Very high | 93.9 | Very high | 89 Ų | 89 | 48.4 Ų | 48.4 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | trans | -113.8 | 169.9 | -177.7 | -52.8 | -58.5 | 0 | 0 | 0 | 111.3 | D211 S212 T249 L253 | D211-D251 CarbonylContact O-C 3.55Å; S212-D251 WeakPolarHBondContact CB-OD1 3.21Å; T249-D251 VanDerWaalsContact CG2-OD1 3.25Å; T249-D251 WeakPolarHBondContact CG2-OD1 3.48Å; D251-L253 VanDerWaalsContact C-N 3.32Å | ||
| 252 | N | 91.6 | Very high | 93.9 | Very high | 149 Ų | 149 | 49.6 Ų | 49.6 | 80% | 0.797 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 60.8 | 38.3 | -176.1 | -46.7 | -92.3 | 0 | 0 | 0 | 112.8 | D211 | D211-N252 PolarHBondContact O-N 3.08Å; D211-N252 VanDerWaalsContact O-N 3.13Å |
| 253 | L | 93.1 | Very high | 94 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 155.1 | 173.8 | -54.4 | -178.2 | 0 | 0 | 0 | 110.7 | D211 I213 M230 F250 D251 Y259 T282 | D211-L253 WeakPolarHBondContact CA-O 3.45Å; D211-L253 WeakPolarHBondContact O-CB 3.45Å; D211-L253 PolarHBondContact O-N 2.87Å; I213-L253 HydrophobicContact CB-CD1 3.96Å; I213-L253 HydrophobicContact CD1-CD1 3.77Å; I213-L253 HydrophobicContact CG1-CD1 3.71Å; M230-L253 HydrophobicContact CE-CD1 4.18Å; M230-L253 HydrophobicContact SD-CD1 4.21Å; M230-L253 HydrophobicContact SD-CD2 3.79Å; F250-L253 HydrophobicContact CB-CD1 4.14Å; F250-L253 HydrophobicContact CB-CD2 4.41Å; D251-L253 VanDerWaalsContact C-N 3.32Å; L253-Y259 HydrophobicContact CB-CE2 3.93Å; L253-Y259 HydrophobicContact CD1-CD2 4.28Å; L253-Y259 HydrophobicContact CD1-CE2 4.27Å; L253-Y259 HydrophobicContact CD2-CD1 4.37Å; L253-Y259 HydrophobicContact CD2-CE1 3.94Å; L253-Y259 HydrophobicContact CG-CE2 4.49Å; L253-T282 HydrophobicContact CB-CG2 3.89Å; L253-T282 HydrophobicContact CD1-CG2 3.97Å |
| 254 | D | 92.6 | Very high | 94 | Very high | 69 Ų | 69 | 46 Ų | 46 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -72.7 | 141.4 | 172.8 | -61.2 | -47.4 | 0 | 0 | 0 | 110.1 | R232 I257 Y259 T282 | R232-D254 IonicContact CZ-OD2 3.02Å; R232-D254 IonicContact NE-OD2 2.66Å; R232-D254 PolarHBondContact NE-OD2 3.07Å; R232-D254 IonicContact NH2-OD2 3.73Å; R232-D254 PolarHBondContact NH2-OD2 2.88Å; D254-I257 HydrophobicContact CB-CB 4.23Å; D254-I257 HydrophobicContact CB-CG1 3.53Å; D254-Y259 WeakPolarHBondContact CB-OH 2.98Å; D254-Y259 PolarHBondContact N-OH 3.39Å; D254-T282 PolarHBondContact O-OG1 3.4Å |
| 255 | P | 93.7 | Very high | 94.1 | Very high | 37 Ų | 37 | 41 Ų | 41 | 24% | 0.24 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 143.9 | -179.4 | 31.9 | -36.9 | 0 | 0 | 0 | 113.2 | N210 I257 D285 | N210-P255 HydrophobicContact CB-CB 3.97Å; N210-P255 VanDerWaalsContact O-CA 3.24Å; N210-P255 WeakPolarHBondContact O-CA 3.43Å; P255-I257 VanDerWaalsContact C-N 3.26Å; P255-I257 PolarHBondContact O-N 2.85Å; P255-D285 HydrophobicContact CB-CB 3.83Å; P255-D285 HydrophobicContact CG-CB 3.77Å |
| 256 | G | 92.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 21.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T282 R283 Q310 G311 | G256-T282 PolarHBondContact N-OG1 2.79Å; G256-R283 PolarHBondContact N-O 2.85Å; G256-Q310 WeakPolarHBondContact CA-O 3.38Å; G256-G311 WeakPolarHBondContact O-CA 3.28Å |
| 257 | I | 92.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | trans | -107.8 | 141.1 | -179.4 | -59 | -56.7 | 0 | 0 | 0 | 110.9 | R232 D254 P255 Y259 I281 T282 Q310 | R232-I257 HydrophobicContact CG-CG2 3.74Å; D254-I257 HydrophobicContact CB-CB 4.23Å; D254-I257 HydrophobicContact CB-CG1 3.53Å; P255-I257 VanDerWaalsContact C-N 3.26Å; P255-I257 PolarHBondContact O-N 2.85Å; I257-Y259 HydrophobicContact CB-CD2 4.48Å; I257-Y259 HydrophobicContact CB-CE2 3.71Å; I257-Y259 HydrophobicContact CG2-CD2 4.31Å; I257-Y259 HydrophobicContact CG2-CE2 3.74Å; I257-Y259 VanDerWaalsContact O-CD2 3.31Å; I257-Y259 WeakPolarHBondContact O-CD2 3.25Å; I257-Y259 WeakPolarHBondContact O-CE2 3.47Å; I257-I281 WeakPolarHBondContact O-CA 3.3Å; I257-T282 PolarHBondContact N-OG1 3.39Å; I257-T282 PolarHBondContact O-N 2.64Å; I257-T282 PolarHBondContact O-OG1 2.7Å; I257-Q310 HydrophobicContact CD1-CG 4Å | ||
| 258 | S | 94.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 135 | 172.8 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | E233 | E233-S258 VanDerWaalsContact CB-O 3.22Å; E233-S258 WeakPolarHBondContact CB-O 3.24Å; E233-S258 PolarHBondContact N-O 3.5Å; E233-S258 WeakPolarHBondContact OE2-CB 3.35Å |
| 259 | Y | 94.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.6 | 175.4 | -66.1 | -94.3 | 0 | 0 | 0 | 109.4 | I213 M230 I231 R232 L253 D254 I257 I261 C279 Q280 T282 | I213-Y259 HydrophobicContact CD1-CD2 3.76Å; I213-Y259 HydrophobicContact CD1-CG 4.08Å; M230-Y259 HydrophobicContact CE-CG 4.45Å; M230-Y259 HydrophobicContact CG-CD1 3.91Å; M230-Y259 HydrophobicContact CG-CG 4.38Å; M230-Y259 HydrophobicContact SD-CD1 3.68Å; M230-Y259 HydrophobicContact SD-CE1 4.44Å; M230-Y259 HydrophobicContact SD-CG 4.04Å; I231-Y259 WeakPolarHBondContact O-CA 3.33Å; R232-Y259 HydrophobicContact CB-CD1 3.88Å; R232-Y259 HydrophobicContact CB-CE1 3.6Å; R232-Y259 HydrophobicContact CG-CD1 4.28Å; R232-Y259 HydrophobicContact CG-CE1 3.69Å; L253-Y259 HydrophobicContact CB-CE2 3.93Å; L253-Y259 HydrophobicContact CD1-CD2 4.28Å; L253-Y259 HydrophobicContact CD1-CE2 4.27Å; L253-Y259 HydrophobicContact CD2-CD1 4.37Å; L253-Y259 HydrophobicContact CD2-CE1 3.94Å; L253-Y259 HydrophobicContact CG-CE2 4.49Å; D254-Y259 WeakPolarHBondContact CB-OH 2.98Å; D254-Y259 PolarHBondContact N-OH 3.39Å; I257-Y259 HydrophobicContact CB-CD2 4.48Å; I257-Y259 HydrophobicContact CB-CE2 3.71Å; I257-Y259 HydrophobicContact CG2-CD2 4.31Å; I257-Y259 HydrophobicContact CG2-CE2 3.74Å; I257-Y259 VanDerWaalsContact O-CD2 3.31Å; I257-Y259 WeakPolarHBondContact O-CD2 3.25Å; I257-Y259 WeakPolarHBondContact O-CE2 3.47Å; Y259-I261 WeakPolarHBondContact O-CD1 3.5Å; Y259-C279 CarbonylContact O-C 3.58Å; Y259-C279 VanDerWaalsContact O-CA 3.28Å; Y259-C279 WeakPolarHBondContact O-CA 3.41Å; Y259-Q280 PolarHBondContact N-O 3.04Å; Y259-Q280 PolarHBondContact O-N 2.73Å; Y259-T282 HydrophobicContact CD2-CG2 4.19Å; Y259-T282 HydrophobicContact CE2-CG2 3.94Å |
| 260 | C | 94.6 | Very high | 92.8 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 22% | 0.223 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.8 | 174.8 | -64.3 | 0 | 0 | 0 | 0 | 110.1 | I231 T277 C279 | I231-C260 PolarHBondContact N-O 2.84Å; I231-C260 PolarHBondContact O-N 2.87Å; C260-T277 HydrophobicContact CB-CG2 4.11Å; C260-C279 HydrophobicContact CB-CB 4.09Å; C260-C279 WeakPolarHBondContact CB-SG 3.22Å; C260-C279 WeakPolarHBondContact SG-CB 3.27Å; C260-C279 CovalentContact SG-SG 2.05Å; C260-C279 PolarHBondContact SG-SG 3.37Å |
| 261 | I | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.8 | -177.2 | -53.8 | 95.8 | 0 | 0 | 0 | 108.6 | M203 T205 I213 V215 L228 I229 M230 F250 Y259 T277 V278 | M203-I261 WeakPolarHBondContact CE-O 3.46Å; M203-I261 HydrophobicContact SD-CG2 4.18Å; T205-I261 HydrophobicContact CG2-CD1 4.41Å; I213-I261 HydrophobicContact CG2-CD1 4.38Å; V215-I261 HydrophobicContact CG2-CG1 4.41Å; L228-I261 HydrophobicContact CB-CG2 4.19Å; L228-I261 HydrophobicContact CD2-CG2 4Å; L228-I261 HydrophobicContact CG-CG2 4.31Å; I229-I261 WeakPolarHBondContact O-CA 3.46Å; M230-I261 HydrophobicContact CB-CG1 4.21Å; M230-I261 HydrophobicContact CE-CD1 3.89Å; M230-I261 HydrophobicContact CE-CG1 3.57Å; M230-I261 HydrophobicContact CG-CG1 4.21Å; F250-I261 HydrophobicContact CE2-CG2 4.33Å; Y259-I261 WeakPolarHBondContact O-CD1 3.5Å; I261-T277 VanDerWaalsContact O-CA 3.32Å; I261-T277 WeakPolarHBondContact O-CA 3.4Å; I261-V278 PolarHBondContact N-O 2.95Å; I261-V278 PolarHBondContact O-N 3.42Å |
| 262 | K | 95.3 | Very high | 92.5 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 115.5 | 173.7 | 175.4 | 175 | 170.5 | 118 | 0 | 109.8 | L228 I229 D275 L276 | L228-K262 CarbonylContact C-O 3.55Å; L228-K262 WeakPolarHBondContact CA-O 3.39Å; I229-K262 HydrophobicContact CB-CB 4.43Å; I229-K262 PolarHBondContact N-O 2.85Å; I229-K262 PolarHBondContact O-N 2.86Å; K262-D275 HydrophobicContact CD-CB 4.47Å; K262-D275 WeakPolarHBondContact CE-OD1 3.42Å; K262-D275 WeakPolarHBondContact CE-OD2 3.47Å; K262-D275 HydrophobicContact CG-CB 4.12Å; K262-D275 IonicContact NZ-OD1 3.62Å; K262-D275 PolarHBondContact NZ-OD1 2.95Å; K262-D275 IonicContact NZ-OD2 2.85Å; K262-D275 PolarHBondContact NZ-OD2 2.88Å; K262-L276 CarbonylContact C-O 3.55Å; K262-L276 WeakPolarHBondContact CA-O 3.49Å |
| 263 | G | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D275 L276 | G263-D275 WeakPolarHBondContact O-CA 3.42Å; G263-L276 PolarHBondContact N-O 2.94Å; G263-L276 PolarHBondContact O-N 2.83Å; G263-L276 VanDerWaalsContact O-N 3.08Å |
| 264 | M | 94.4 | Very high | 92.5 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145.1 | 178.4 | -71.2 | 165.9 | -70 | 0 | 0 | 110 | Y226 T227 I229 I272 D275 | Y226-M264 CarbonylContact C-O 3.57Å; Y226-M264 WeakPolarHBondContact CA-O 3.43Å; T227-M264 HydrophobicContact CG2-CE 4.41Å; T227-M264 PolarHBondContact N-O 3.37Å; T227-M264 PolarHBondContact O-N 2.85Å; I229-M264 HydrophobicContact CD1-CE 3.58Å; I229-M264 HydrophobicContact CG1-CE 4Å; M264-I272 HydrophobicContact CB-CG2 4.01Å; M264-I272 HydrophobicContact CG-CG2 4.13Å; M264-I272 HydrophobicContact SD-CG2 3.9Å; M264-D275 HydrophobicContact CG-CB 3.42Å; M264-D275 VanDerWaalsContact CG-CB 3.42Å; M264-D275 HydrophobicContact SD-CB 4.14Å |
| 265 | A | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 152.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | V198 V220 A223 Y226 G273 | V198-A265 HydrophobicContact CG2-CB 3.74Å; V220-A265 HydrophobicContact CB-CB 4.45Å; V220-A265 HydrophobicContact CG1-CB 4.32Å; A223-A265 HydrophobicContact CB-CB 3.91Å; Y226-A265 HydrophobicContact CD1-CB 3.94Å; Y226-A265 HydrophobicContact CE1-CB 3.93Å; A265-G273 PolarHBondContact O-N 2.75Å |
| 266 | W | 93.3 | Very high | 92.5 | Very high | 60 Ų | 60 | 37.3 Ų | 37.3 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.8 | 177.9 | -60.3 | 73.7 | 0 | 0 | 0 | 110.7 | A223 I224 R225 T227 G270 R271 I272 | A223-W266 CarbonylContact C-O 3.58Å; A223-W266 VanDerWaalsContact CA-O 3.29Å; A223-W266 WeakPolarHBondContact CA-O 3.29Å; I224-W266 PolarHBondContact N-O 2.83Å; R225-W266 HydrophobicContact CB-CB 4.24Å; R225-W266 PolarHBondContact O-N 2.9Å; T227-W266 PolarHBondContact OG1-NE1 2.97Å; W266-G270 WeakPolarHBondContact CZ3-O 3.38Å; W266-R271 WeakPolarHBondContact CA-O 3.12Å; W266-I272 HydrophobicContact CD2-CG1 4.1Å; W266-I272 HydrophobicContact CE3-CG1 3.8Å; W266-I272 HydrophobicContact CH2-CD1 3.61Å; W266-I272 HydrophobicContact CH2-CG1 3.52Å; W266-I272 HydrophobicContact CZ2-CD1 3.94Å; W266-I272 HydrophobicContact CZ2-CG1 3.82Å; W266-I272 HydrophobicContact CZ3-CD1 4.07Å; W266-I272 HydrophobicContact CZ3-CG1 3.49Å; W266-I272 VanDerWaalsContact CZ3-CG1 3.49Å |
| 267 | D | 91.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -85.2 | 175 | 173.2 | 65.9 | 24.7 | 0 | 0 | 0 | 113.4 | Y170 V198 I224 E269 G270 R271 | Y170-D267 HydrophobicContact CD2-CB 4.32Å; Y170-D267 HydrophobicContact CE2-CB 3.61Å; V198-D267 HydrophobicContact CG1-CB 4.14Å; I224-D267 WeakPolarHBondContact CG1-O 3.19Å; D267-E269 PolarHBondContact O-N 2.94Å; D267-E269 WeakPolarHBondContact OD1-CA 3.01Å; D267-E269 PolarHBondContact OD1-N 2.83Å; D267-E269 VanDerWaalsContact OD1-N 3.1Å; D267-G270 PolarHBondContact O-N 2.84Å; D267-G270 PolarHBondContact OD1-N 2.97Å; D267-R271 PolarHBondContact N-O 3.43Å; D267-R271 PolarHBondContact OD1-N 2.84Å; D267-R271 IonicContact OD1-NE 4Å; D267-R271 IonicContact OD2-CZ 3.43Å; D267-R271 IonicContact OD2-NE 2.66Å; D267-R271 PolarHBondContact OD2-NE 2.93Å; D267-R271 IonicContact OD2-NH2 3.26Å; D267-R271 PolarHBondContact OD2-NH2 3.5Å | ||
| 268 | A | 89.1 | Confident | 92.7 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I224 G270 | I224-A268 HydrophobicContact CG2-CB 4.24Å; A268-G270 VanDerWaalsContact C-N 3.31Å |
| 269 | E | 87.3 | Confident | 92.7 | Very high | 103 Ų | 103 | 43.8 Ų | 43.8 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1.7 | 175.7 | -66.1 | 91.5 | -128.4 | 0 | 0 | 112.8 | R195 D267 R271 | R195-E269 IonicContact NH1-OE1 2.69Å; R195-E269 IonicContact NH1-OE2 3.36Å; R195-E269 PolarHBondContact NH1-OE2 2.83Å; D267-E269 PolarHBondContact O-N 2.94Å; D267-E269 WeakPolarHBondContact OD1-CA 3.01Å; D267-E269 PolarHBondContact OD1-N 2.83Å; D267-E269 VanDerWaalsContact OD1-N 3.1Å; E269-R271 IonicContact OE2-CZ 3.48Å; E269-R271 IonicContact OE2-NH1 2.64Å; E269-R271 IonicContact OE2-NH2 2.8Å; E269-R271 PolarHBondContact OE2-NH2 3.08Å |
| 270 | G | 85.9 | Confident | 92.7 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | trans | 78.2 | 20.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W266 D267 A268 | W266-G270 WeakPolarHBondContact CZ3-O 3.38Å; D267-G270 PolarHBondContact O-N 2.84Å; D267-G270 PolarHBondContact OD1-N 2.97Å; A268-G270 VanDerWaalsContact C-N 3.31Å | ||
| 271 | R | 89 | Confident | 92.7 | Very high | 81 Ų | 81 | 45.2 Ų | 45.2 | 31% | 0.306 | 25% | 0.251 | S | S | . | . | trans | -84.3 | 146.9 | 172.2 | -56 | 176.2 | -62.3 | -141.4 | -9.7 | 110.2 | V197 W266 D267 E269 | V197-R271 HydrophobicContact CG1-CB 4.44Å; W266-R271 WeakPolarHBondContact CA-O 3.12Å; D267-R271 PolarHBondContact N-O 3.43Å; D267-R271 PolarHBondContact OD1-N 2.84Å; D267-R271 IonicContact OD1-NE 4Å; D267-R271 IonicContact OD2-CZ 3.43Å; D267-R271 IonicContact OD2-NE 2.66Å; D267-R271 PolarHBondContact OD2-NE 2.93Å; D267-R271 IonicContact OD2-NH2 3.26Å; D267-R271 PolarHBondContact OD2-NH2 3.5Å; E269-R271 IonicContact OE2-CZ 3.48Å; E269-R271 IonicContact OE2-NH1 2.64Å; E269-R271 IonicContact OE2-NH2 2.8Å; E269-R271 PolarHBondContact OE2-NH2 3.08Å | ||
| 272 | I | 91.4 | Very high | 92.7 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.8 | 177.5 | -51.1 | 176.2 | 0 | 0 | 0 | 108.4 | M264 W266 | M264-I272 HydrophobicContact CB-CG2 4.01Å; M264-I272 HydrophobicContact CG-CG2 4.13Å; M264-I272 HydrophobicContact SD-CG2 3.9Å; W266-I272 HydrophobicContact CD2-CG1 4.1Å; W266-I272 HydrophobicContact CE3-CG1 3.8Å; W266-I272 HydrophobicContact CH2-CD1 3.61Å; W266-I272 HydrophobicContact CH2-CG1 3.52Å; W266-I272 HydrophobicContact CZ2-CD1 3.94Å; W266-I272 HydrophobicContact CZ2-CG1 3.82Å; W266-I272 HydrophobicContact CZ3-CD1 4.07Å; W266-I272 HydrophobicContact CZ3-CG1 3.49Å; W266-I272 VanDerWaalsContact CZ3-CG1 3.49Å |
| 273 | G | 91.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 8% | 0.082 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -169.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V198 A265 | V198-G273 CarbonylContact O-C 3.52Å; V198-G273 WeakPolarHBondContact O-CA 3.46Å; A265-G273 PolarHBondContact O-N 2.75Å |
| 274 | D | 93.8 | Very high | 92.6 | Very high | 30 Ų | 30 | 45.3 Ų | 45.3 | 16% | 0.16 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 159.5 | 166.1 | -72.5 | -47.9 | 0 | 0 | 0 | 111.5 | N123 S124 V198 A200 | N123-D274 WeakPolarHBondContact CA-OD1 3.42Å; N123-D274 WeakPolarHBondContact CB-OD1 3.36Å; N123-D274 PolarHBondContact ND2-OD1 2.97Å; S124-D274 WeakPolarHBondContact CB-OD2 3.37Å; S124-D274 PolarHBondContact N-OD1 2.99Å; S124-D274 PolarHBondContact N-OD2 2.84Å; S124-D274 PolarHBondContact OG-OD2 2.85Å; V198-D274 PolarHBondContact O-N 2.6Å; A200-D274 WeakPolarHBondContact CA-O 3.31Å; A200-D274 HydrophobicContact CB-CB 3.94Å; A200-D274 WeakPolarHBondContact CB-O 3.49Å |
| 275 | D | 93.3 | Very high | 92.6 | Very high | 73 Ų | 73 | 47.3 Ų | 47.3 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 149.8 | 173.4 | 81 | -111.1 | 0 | 0 | 0 | 113.1 | K262 G263 M264 | K262-D275 HydrophobicContact CD-CB 4.47Å; K262-D275 WeakPolarHBondContact CE-OD1 3.42Å; K262-D275 WeakPolarHBondContact CE-OD2 3.47Å; K262-D275 HydrophobicContact CG-CB 4.12Å; K262-D275 IonicContact NZ-OD1 3.62Å; K262-D275 PolarHBondContact NZ-OD1 2.95Å; K262-D275 IonicContact NZ-OD2 2.85Å; K262-D275 PolarHBondContact NZ-OD2 2.88Å; G263-D275 WeakPolarHBondContact O-CA 3.42Å; M264-D275 HydrophobicContact CG-CB 3.42Å; M264-D275 VanDerWaalsContact CG-CB 3.42Å; M264-D275 HydrophobicContact SD-CB 4.14Å |
| 276 | L | 93.6 | Very high | 92.5 | Very high | 69 Ų | 69 | 49.6 Ų | 49.6 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.7 | 172.7 | -178.6 | 64.9 | 0 | 0 | 0 | 109.2 | A200 M203 K262 G263 V278 | A200-L276 HydrophobicContact CB-CB 3.83Å; M203-L276 WeakPolarHBondContact CE-O 3.17Å; K262-L276 CarbonylContact C-O 3.55Å; K262-L276 WeakPolarHBondContact CA-O 3.49Å; G263-L276 PolarHBondContact N-O 2.94Å; G263-L276 PolarHBondContact O-N 2.83Å; G263-L276 VanDerWaalsContact O-N 3.08Å; L276-V278 HydrophobicContact CD2-CG2 4.45Å; L276-V278 HydrophobicContact CG-CG2 4.39Å |
| 277 | T | 94.6 | Very high | 92.6 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.5 | 175.7 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | C260 I261 | C260-T277 HydrophobicContact CB-CG2 4.11Å; I261-T277 VanDerWaalsContact O-CA 3.32Å; I261-T277 WeakPolarHBondContact O-CA 3.4Å |
| 278 | V | 94.6 | Very high | 92.6 | Very high | 37 Ų | 37 | 51 Ų | 51 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.9 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | M203 T205 I261 L276 | M203-V278 HydrophobicContact CB-CG2 4.33Å; M203-V278 HydrophobicContact CE-CG2 4.25Å; T205-V278 HydrophobicContact CG2-CB 4.29Å; T205-V278 HydrophobicContact CG2-CG1 3.81Å; I261-V278 PolarHBondContact N-O 2.95Å; I261-V278 PolarHBondContact O-N 3.42Å; L276-V278 HydrophobicContact CD2-CG2 4.45Å; L276-V278 HydrophobicContact CG-CG2 4.39Å |
| 279 | C | 93.9 | Very high | 92.8 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.5 | 177.9 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | Y259 C260 | Y259-C279 CarbonylContact O-C 3.58Å; Y259-C279 VanDerWaalsContact O-CA 3.28Å; Y259-C279 WeakPolarHBondContact O-CA 3.41Å; C260-C279 HydrophobicContact CB-CB 4.09Å; C260-C279 WeakPolarHBondContact CB-SG 3.22Å; C260-C279 WeakPolarHBondContact SG-CB 3.27Å; C260-C279 CovalentContact SG-SG 2.05Å; C260-C279 PolarHBondContact SG-SG 3.37Å |
| 280 | Q | 94.6 | Very high | 92.9 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 16% | 0.159 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 139 | 179.4 | 178.3 | 58.6 | -68.3 | 0 | 0 | 110 | T205 I213 Y259 | T205-Q280 PolarHBondContact O-NE2 2.99Å; I213-Q280 HydrophobicContact CD1-CB 4.16Å; I213-Q280 HydrophobicContact CD1-CG 4.16Å; I213-Q280 HydrophobicContact CG1-CG 4.19Å; I213-Q280 HydrophobicContact CG2-CB 4.34Å; I213-Q280 HydrophobicContact CG2-CG 4.18Å; Y259-Q280 PolarHBondContact N-O 3.04Å; Y259-Q280 PolarHBondContact O-N 2.73Å |
| 281 | I | 94.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.205 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 140.7 | 173.9 | -163.7 | 171 | 0 | 0 | 0 | 109.8 | S207 I257 A353 | S207-I281 WeakPolarHBondContact CB-O 3.47Å; I257-I281 WeakPolarHBondContact O-CA 3.3Å; I281-A353 HydrophobicContact CG2-CB 3.94Å; I281-A353 VanDerWaalsContact O-CB 3.32Å; I281-A353 WeakPolarHBondContact O-CB 3.05Å |
| 282 | T | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -70 | 156.4 | 167.2 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | S207 N210 I213 L253 D254 G256 I257 Y259 N351 | S207-T282 WeakPolarHBondContact OG-CA 3.41Å; N210-T282 WeakPolarHBondContact O-CB 3.46Å; I213-T282 HydrophobicContact CD1-CG2 4.07Å; I213-T282 HydrophobicContact CG1-CG2 4Å; L253-T282 HydrophobicContact CB-CG2 3.89Å; L253-T282 HydrophobicContact CD1-CG2 3.97Å; D254-T282 PolarHBondContact O-OG1 3.4Å; G256-T282 PolarHBondContact N-OG1 2.79Å; I257-T282 PolarHBondContact N-OG1 3.39Å; I257-T282 PolarHBondContact O-N 2.64Å; I257-T282 PolarHBondContact O-OG1 2.7Å; Y259-T282 HydrophobicContact CD2-CG2 4.19Å; Y259-T282 HydrophobicContact CE2-CG2 3.94Å; T282-N351 PolarHBondContact O-ND2 2.7Å |
| 283 | R | 94.3 | Very high | 93.1 | Very high | 68 Ų | 68 | 48 Ų | 48 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 153.5 | 171.8 | -64.7 | 174.8 | 174.1 | -143.2 | 8.6 | 110.6 | S207 P208 N210 G256 A353 P355 | S207-R283 PolarHBondContact O-NE 3Å; S207-R283 PolarHBondContact OG-N 2.87Å; P208-R283 PolarHBondContact O-NE 2.88Å; N210-R283 HydrophobicContact CB-CB 4.4Å; G256-R283 PolarHBondContact N-O 2.85Å; R283-A353 HydrophobicContact CG-CB 3.95Å; R283-P355 WeakPolarHBondContact CD-O 3.45Å; R283-P355 PolarHBondContact NH1-O 3.19Å; R283-P355 VanDerWaalsContact NH1-O 3.17Å |
| 284 | P | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -67 | 159.5 | 177.9 | -12.4 | 28.6 | 0 | 0 | 0 | 110.8 | V309 A312 A349 N351 S356 | P284-V309 HydrophobicContact CB-CG2 3.74Å; P284-A312 HydrophobicContact CB-CB 4.09Å; P284-A312 HydrophobicContact CG-CB 4.18Å; P284-A349 HydrophobicContact CB-CB 3.86Å; P284-A349 HydrophobicContact CG-CB 4.25Å; P284-N351 HydrophobicContact CG-CB 3.88Å; P284-S356 WeakPolarHBondContact O-CB 3.48Å |
| 285 | D | 94.6 | Very high | 92.3 | Very high | 65 Ų | 65 | 50 Ų | 50 | 35% | 0.348 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 165.4 | 173.4 | -149.9 | 5.7 | 0 | 0 | 0 | 112 | N210 P255 P287 V309 S356 | N210-D285 PolarHBondContact ND2-OD1 2.93Å; P255-D285 HydrophobicContact CB-CB 3.83Å; P255-D285 HydrophobicContact CG-CB 3.77Å; D285-P287 WeakPolarHBondContact O-CD 2.86Å; D285-V309 HydrophobicContact CB-CB 4.42Å; D285-V309 HydrophobicContact CB-CG1 4.32Å; D285-S356 VanDerWaalsContact O-CB 3.27Å; D285-S356 WeakPolarHBondContact O-CB 3.25Å |
| 286 | S | 92.4 | Very high | 91 | Very high | 47 Ų | 47 | 51 Ų | 51 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 124.1 | 173.6 | 55 | 0 | 0 | 0 | 0 | 110.7 | S357 | S286-S357 WeakPolarHBondContact CB-O 3.48Š|
| 287 | P | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 144.5 | 179.7 | 30.1 | -34.1 | 0 | 0 | 0 | 112 | D285 V309 Y315 V347 A349 S359 | D285-P287 WeakPolarHBondContact O-CD 2.86Å; P287-V309 HydrophobicContact CB-CG1 4Å; P287-Y315 HydrophobicContact CB-CD1 4.49Å; P287-Y315 HydrophobicContact CB-CE1 4.26Å; P287-Y315 HydrophobicContact CG-CD1 4.46Å; P287-V347 HydrophobicContact CB-CG1 4.44Å; P287-V347 HydrophobicContact CG-CB 3.97Å; P287-V347 HydrophobicContact CG-CG1 3.77Å; P287-V347 WeakPolarHBondContact CG-O 3.31Å; P287-A349 HydrophobicContact CG-CB 4.37Å; P287-S359 WeakPolarHBondContact O-CB 3.21Å |
| 288 | D | 92 | Very high | 88.3 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 122.7 | 174.2 | -81.6 | -33.3 | 0 | 0 | 0 | 111.5 | T290 W306 M307 | D288-T290 PolarHBondContact O-N 2.87Å; D288-W306 CarbonylContact O-C 3.51Å; D288-W306 WeakPolarHBondContact O-CA 3.42Å; D288-W306 VanDerWaalsContact O-CB 3.22Å; D288-W306 WeakPolarHBondContact O-CB 3.43Å; D288-M307 HydrophobicContact CB-CE 3.65Å; D288-M307 PolarHBondContact O-N 3.08Å |
| 289 | V | 92.3 | Very high | 87.4 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 15% | 0.152 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 121.7 | 172.9 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | V292 V304 V347 V362 | V289-V292 HydrophobicContact CG1-CG2 4.26Å; V289-V304 HydrophobicContact CG1-CG1 4.05Å; V289-V347 HydrophobicContact CG2-CB 4.22Å; V289-V347 HydrophobicContact CG2-CG2 3.58Å; V289-V362 HydrophobicContact CB-CG2 3.76Å; V289-V362 HydrophobicContact CG1-CB 4.2Å; V289-V362 HydrophobicContact CG1-CG2 3.82Å; V289-V362 HydrophobicContact CG2-CG2 4.47Å |
| 290 | T | 90.2 | Very high | 87 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -41.6 | -175.4 | 58 | 0 | 0 | 0 | 0 | 112.7 | D288 Y305 M307 | D288-T290 PolarHBondContact O-N 2.87Å; T290-Y305 PolarHBondContact N-O 3.4Å; T290-Y305 VanDerWaalsContact OG1-C 3.29Å; T290-Y305 WeakPolarHBondContact OG1-CB 3.33Å; T290-Y305 PolarHBondContact OG1-O 3.32Å; T290-M307 HydrophobicContact CG2-CG 3.63Å |
| 291 | Q | 88.8 | Confident | 86.7 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 154.3 | 178.6 | 56.7 | -177.3 | -17.6 | 0 | 0 | 111.1 | L293 Y305 | Q291-L293 HydrophobicContact CG-CG 4.42Å; Q291-Y305 HydrophobicContact CG-CD2 3.93Å; Q291-Y305 HydrophobicContact CG-CG 4.21Å; Q291-Y305 PolarHBondContact N-O 3.47Å; Q291-Y305 PolarHBondContact O-N 3.01Å |
| 292 | V | 91 | Very high | 86.5 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.7 | 168.4 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | V289 I302 A303 V304 V345 V362 Y364 | V289-V292 HydrophobicContact CG1-CG2 4.26Å; V292-I302 HydrophobicContact CG1-CB 4.18Å; V292-I302 HydrophobicContact CG1-CD1 4.44Å; V292-I302 HydrophobicContact CG1-CG2 4.21Å; V292-A303 WeakPolarHBondContact CA-O 3.31Å; V292-V304 HydrophobicContact CG1-CG2 4.34Å; V292-V304 HydrophobicContact CG2-CG1 4.38Å; V292-V304 HydrophobicContact CG2-CG2 4.42Å; V292-V345 HydrophobicContact CG2-CG2 3.65Å; V292-V362 HydrophobicContact CG2-CG1 3.98Å; V292-Y364 HydrophobicContact CG1-CD1 4.39Å; V292-Y364 HydrophobicContact CG1-CG 4.07Å |
| 293 | L | 89.6 | Confident | 86.4 | Confident | 77 Ų | 77 | 54.7 Ų | 54.7 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.5 | -179.2 | -63 | 177.7 | 0 | 0 | 0 | 109.8 | Q291 I302 A303 Y305 | Q291-L293 HydrophobicContact CG-CG 4.42Å; L293-I302 CarbonylContact O-C 3.53Å; L293-I302 WeakPolarHBondContact O-CA 3.1Å; L293-A303 PolarHBondContact N-O 2.73Å; L293-A303 PolarHBondContact O-N 2.99Å; L293-Y305 HydrophobicContact CD1-CE2 3.96Å; L293-Y305 HydrophobicContact CG-CE2 4.39Å |
| 294 | L | 86.6 | Confident | 86.4 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 132 | 169.5 | -72.3 | 161.9 | 0 | 0 | 0 | 109.7 | L300 I302 T366 Y367 A438 | L294-L300 HydrophobicContact CD2-CD1 4.14Å; L294-I302 HydrophobicContact CD2-CG2 3.69Å; L294-I302 HydrophobicContact CG-CG2 4.48Å; L294-T366 HydrophobicContact CD2-CG2 4.36Å; L294-Y367 HydrophobicContact CB-CE2 4.12Å; L294-Y367 HydrophobicContact CD1-CD1 4.34Å; L294-Y367 HydrophobicContact CD1-CD2 4.43Å; L294-Y367 HydrophobicContact CD1-CE1 4.12Å; L294-Y367 HydrophobicContact CD1-CE2 4.18Å; L294-Y367 HydrophobicContact CD1-CG 4.48Å; L294-A438 HydrophobicContact CD1-CB 3.28Å |
| 295 | T | 81.8 | Confident | 86.4 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 110.3 | 177.4 | 47.8 | 0 | 0 | 0 | 0 | 110.1 | G297 G301 A303 F333 | T295-G297 PolarHBondContact O-N 2.63Å; T295-G301 PolarHBondContact N-O 2.91Å; T295-G301 PolarHBondContact O-N 2.84Å; T295-G301 VanDerWaalsContact OG1-C 3.26Å; T295-G301 PolarHBondContact OG1-O 3.35Å; T295-A303 HydrophobicContact CG2-CB 3.74Å; T295-F333 HydrophobicContact CG2-CD1 4.25Å; T295-F333 HydrophobicContact CG2-CE1 4.07Å |
| 296 | P | 66.6 | Low | 86.4 | Confident | 96 Ų | 96 | 52 Ų | 52 | 62% | 0.623 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 114.4 | 172.3 | 28.4 | -32.1 | 0 | 0 | 0 | 109.6 | L442 | P296-L442 HydrophobicContact CB-CD2 4.41Å |
| 297 | G | 65.3 | Low | 86.4 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 56% | 0.557 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -132.8 | -157.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T295 S299 | T295-G297 PolarHBondContact O-N 2.63Å; G297-S299 CarbonylContact C-O 3.58Å; G297-S299 PolarHBondContact O-N 3.22Å |
| 298 | R | 66.6 | Low | 86.3 | Confident | 268 Ų | 268 | 59.2 Ų | 59.2 | 100% | 1.011 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -66.4 | -29.3 | 170.1 | -73.2 | -171.3 | 177.4 | -159.5 | -0.2 | 112.7 | ||
| 299 | S | 76.6 | Confident | 86.4 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -122.5 | 156.8 | 166.9 | 48.8 | 0 | 0 | 0 | 0 | 107.9 | G297 | G297-S299 CarbonylContact C-O 3.58Å; G297-S299 PolarHBondContact O-N 3.22Å |
| 300 | L | 83.5 | Confident | 86.4 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.6 | 171.1 | -175.2 | 62.7 | 0 | 0 | 0 | 109.6 | L294 P336 Q337 T366 Y367 L442 | L294-L300 HydrophobicContact CD2-CD1 4.14Å; L300-P336 CarbonylContact O-C 3.6Å; L300-P336 WeakPolarHBondContact O-CA 3.06Å; L300-Q337 HydrophobicContact CB-CB 4.31Å; L300-Q337 HydrophobicContact CD2-CB 3.93Å; L300-Q337 HydrophobicContact CG-CB 3.94Å; L300-Q337 PolarHBondContact O-N 3.26Å; L300-T366 HydrophobicContact CD2-CG2 4.14Å; L300-Y367 HydrophobicContact CD1-CD2 3.37Å; L300-Y367 HydrophobicContact CD1-CE2 3.42Å; L300-Y367 VanDerWaalsContact CD1-CE2 3.42Å; L300-Y367 HydrophobicContact CD2-CD2 4.4Å; L300-L442 HydrophobicContact CB-CD1 4.48Å; L300-L442 HydrophobicContact CD1-CD1 4.34Å |
| 301 | G | 88.7 | Confident | 86.4 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 166.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T295 I334 | T295-G301 PolarHBondContact N-O 2.91Å; T295-G301 PolarHBondContact O-N 2.84Å; T295-G301 VanDerWaalsContact OG1-C 3.26Å; T295-G301 PolarHBondContact OG1-O 3.35Å; G301-I334 WeakPolarHBondContact CA-O 3.46Å |
| 302 | I | 91.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 147.6 | 164.6 | 52.3 | 165.7 | 0 | 0 | 0 | 110.4 | V292 L293 L294 V304 F333 I334 Q337 V345 Y364 | V292-I302 HydrophobicContact CG1-CB 4.18Å; V292-I302 HydrophobicContact CG1-CD1 4.44Å; V292-I302 HydrophobicContact CG1-CG2 4.21Å; L293-I302 CarbonylContact O-C 3.53Å; L293-I302 WeakPolarHBondContact O-CA 3.1Å; L294-I302 HydrophobicContact CD2-CG2 3.69Å; L294-I302 HydrophobicContact CG-CG2 4.48Å; I302-V304 HydrophobicContact CD1-CG2 4.02Å; I302-F333 CarbonylContact O-C 3.58Å; I302-F333 VanDerWaalsContact O-CA 3.26Å; I302-F333 WeakPolarHBondContact O-CA 3.16Å; I302-I334 HydrophobicContact CD1-CB 4.26Å; I302-I334 HydrophobicContact CD1-CD1 4.33Å; I302-I334 HydrophobicContact CG1-CB 3.89Å; I302-I334 PolarHBondContact N-O 2.81Å; I302-I334 PolarHBondContact O-N 2.85Å; I302-Q337 HydrophobicContact CG1-CG 4.29Å; I302-Q337 HydrophobicContact CG2-CG 4.3Å; I302-V345 HydrophobicContact CD1-CG1 3.85Å; I302-Y364 HydrophobicContact CD1-CE1 4.03Å; I302-Y364 HydrophobicContact CD1-CE2 4.06Å; I302-Y364 HydrophobicContact CG2-CD2 3.86Å; I302-Y364 HydrophobicContact CG2-CE2 3.73Å |
| 303 | A | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | V292 L293 T295 Y305 C332 F333 | V292-A303 WeakPolarHBondContact CA-O 3.31Å; L293-A303 PolarHBondContact N-O 2.73Å; L293-A303 PolarHBondContact O-N 2.99Å; T295-A303 HydrophobicContact CG2-CB 3.74Å; A303-Y305 HydrophobicContact CB-CD2 4.42Å; A303-Y305 HydrophobicContact CB-CE2 3.57Å; A303-C332 WeakPolarHBondContact CA-O 3.39Å; A303-F333 HydrophobicContact CB-CD1 3.56Å; A303-F333 HydrophobicContact CB-CE1 3.51Å |
| 304 | V | 94.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.3 | 177.7 | -174 | 0 | 0 | 0 | 0 | 108 | V289 V292 I302 W306 V317 Y331 C332 V345 V347 | V289-V304 HydrophobicContact CG1-CG1 4.05Å; V292-V304 HydrophobicContact CG1-CG2 4.34Å; V292-V304 HydrophobicContact CG2-CG1 4.38Å; V292-V304 HydrophobicContact CG2-CG2 4.42Å; I302-V304 HydrophobicContact CD1-CG2 4.02Å; V304-W306 HydrophobicContact CB-CZ3 4.23Å; V304-W306 HydrophobicContact CG1-CE3 4.09Å; V304-W306 HydrophobicContact CG1-CZ3 4.23Å; V304-W306 VanDerWaalsContact O-CZ3 3.25Å; V304-W306 WeakPolarHBondContact O-CZ3 3.19Å; V304-V317 HydrophobicContact CB-CG1 4.16Å; V304-V317 HydrophobicContact CG1-CG1 4.17Å; V304-V317 HydrophobicContact CG2-CG1 4.02Å; V304-Y331 CarbonylContact O-C 3.6Å; V304-Y331 WeakPolarHBondContact O-CA 3.49Å; V304-Y331 WeakPolarHBondContact O-CB 2.99Å; V304-C332 PolarHBondContact N-O 3.12Å; V304-C332 PolarHBondContact O-N 3.42Å; V304-V345 HydrophobicContact CG1-CG2 4.08Å; V304-V345 HydrophobicContact CG2-CB 4.41Å; V304-V345 HydrophobicContact CG2-CG1 4.08Å; V304-V345 HydrophobicContact CG2-CG2 4.13Å; V304-V347 HydrophobicContact CG1-CG2 4.15Å |
| 305 | Y | 94.6 | Very high | 87.5 | Confident | 67 Ų | 67 | 55 Ų | 55 | 26% | 0.263 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137.8 | -179.2 | -64.3 | -94.9 | 0 | 0 | 0 | 110.5 | T290 Q291 L293 A303 Y331 | T290-Y305 PolarHBondContact N-O 3.4Å; T290-Y305 VanDerWaalsContact OG1-C 3.29Å; T290-Y305 WeakPolarHBondContact OG1-CB 3.33Å; T290-Y305 PolarHBondContact OG1-O 3.32Å; Q291-Y305 HydrophobicContact CG-CD2 3.93Å; Q291-Y305 HydrophobicContact CG-CG 4.21Å; Q291-Y305 PolarHBondContact N-O 3.47Å; Q291-Y305 PolarHBondContact O-N 3.01Å; L293-Y305 HydrophobicContact CD1-CE2 3.96Å; L293-Y305 HydrophobicContact CG-CE2 4.39Å; A303-Y305 HydrophobicContact CB-CD2 4.42Å; A303-Y305 HydrophobicContact CB-CE2 3.57Å; Y305-Y331 VanDerWaalsContact CD1-CB 3.43Å; Y305-Y331 HydrophobicContact CD1-CG 4.33Å; Y305-Y331 HydrophobicContact CE1-CG 4.04Å |
| 306 | W | 95.1 | Very high | 88.2 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 164.5 | -179.9 | 56.2 | 92.6 | 0 | 0 | 0 | 112.5 | D288 V304 Y315 V317 T327 D329 S330 C332 V347 | D288-W306 CarbonylContact O-C 3.51Å; D288-W306 WeakPolarHBondContact O-CA 3.42Å; D288-W306 VanDerWaalsContact O-CB 3.22Å; D288-W306 WeakPolarHBondContact O-CB 3.43Å; V304-W306 HydrophobicContact CB-CZ3 4.23Å; V304-W306 HydrophobicContact CG1-CE3 4.09Å; V304-W306 HydrophobicContact CG1-CZ3 4.23Å; V304-W306 VanDerWaalsContact O-CZ3 3.25Å; V304-W306 WeakPolarHBondContact O-CZ3 3.19Å; W306-Y315 AromaticContact CD1-CD1 3.82Å; W306-Y315 AromaticContact CD1-CE1 3.85Å; W306-Y315 AromaticContact CE2-CG 3.73Å; W306-Y315 VanDerWaalsContact CZ2-CB 3.47Å; W306-Y315 HydrophobicContact CZ2-CD2 4.14Å; W306-Y315 AromaticContact CZ2-CG 3.81Å; W306-Y315 HydrophobicContact CZ2-CG 3.81Å; W306-Y315 AromaticContact NE1-CD1 3.23Å; W306-Y315 AromaticContact NE1-CD2 3.54Å; W306-Y315 AromaticContact NE1-CE1 3.54Å; W306-Y315 AromaticContact NE1-CE2 3.87Å; W306-Y315 AromaticContact NE1-CG 3.23Å; W306-Y315 AromaticContact NE1-CZ 3.87Å; W306-V317 HydrophobicContact CE3-CG2 4.31Å; W306-V317 HydrophobicContact CH2-CG2 3.43Å; W306-V317 VanDerWaalsContact CH2-CG2 3.43Å; W306-V317 HydrophobicContact CZ2-CG2 4.43Å; W306-V317 HydrophobicContact CZ3-CG2 3.36Å; W306-T327 HydrophobicContact CH2-CG2 3.61Å; W306-T327 HydrophobicContact CZ2-CG2 3.53Å; W306-D329 WeakPolarHBondContact CZ2-O 3.28Å; W306-S330 PolarHBondContact N-O 2.88Å; W306-C332 HydrophobicContact CH2-CB 3.67Å; W306-C332 HydrophobicContact CZ3-CB 4.1Å; W306-V347 HydrophobicContact CD2-CG1 3.9Å; W306-V347 HydrophobicContact CD2-CG2 4.26Å; W306-V347 HydrophobicContact CE3-CG1 4.24Å; W306-V347 HydrophobicContact CE3-CG2 3.88Å; W306-V347 HydrophobicContact CG-CG1 4.14Å; W306-V347 HydrophobicContact CZ2-CG1 4.49Å; W306-V347 HydrophobicContact CZ3-CG2 4.36Å |
| 307 | M | 93 | Very high | 89.5 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 53% | 0.532 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 131.4 | 168.2 | -64.2 | -169.3 | -69.7 | 0 | 0 | 109.9 | D288 T290 | D288-M307 HydrophobicContact CB-CE 3.65Å; D288-M307 PolarHBondContact O-N 3.08Å; T290-M307 HydrophobicContact CG2-CG 3.63Å |
| 308 | T | 92.6 | Very high | 90.9 | Very high | 92 Ų | 92 | 51.7 Ų | 51.7 | 56% | 0.564 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 131.5 | 177.5 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | Y315 | T308-Y315 VanDerWaalsContact CA-OH 3.24Å; T308-Y315 WeakPolarHBondContact CA-OH 3.13Å; T308-Y315 WeakPolarHBondContact CB-OH 3.41Å; T308-Y315 HydrophobicContact CG2-CE2 4.34Å |
| 309 | V | 94.1 | Very high | 92.2 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 15% | 0.152 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -92.2 | 154.1 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | P284 D285 P287 A312 Y315 A349 | P284-V309 HydrophobicContact CB-CG2 3.74Å; D285-V309 HydrophobicContact CB-CB 4.42Å; D285-V309 HydrophobicContact CB-CG1 4.32Å; P287-V309 HydrophobicContact CB-CG1 4Å; V309-A312 HydrophobicContact CG2-CB 3.72Å; V309-Y315 HydrophobicContact CG2-CE1 4.18Å; V309-Y315 PolarHBondContact N-OH 3.31Å; V309-Y315 PolarHBondContact O-OH 2.86Å; V309-A349 HydrophobicContact CG2-CB 3.64Å |
| 310 | Q | 91.8 | Very high | 93 | Very high | 135 Ų | 135 | 39.7 Ų | 39.7 | 63% | 0.631 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 144.5 | 179.4 | -171.9 | 159.8 | 0.1 | 0 | 0 | 111.3 | G256 I257 A312 | G256-Q310 WeakPolarHBondContact CA-O 3.38Å; I257-Q310 HydrophobicContact CD1-CG 4Å; Q310-A312 PolarHBondContact O-N 2.89Å; Q310-A312 VanDerWaalsContact O-N 3.17Å |
| 311 | G | 89.9 | Confident | 93.2 | Very high | 25 Ų | 25 | 41.9 Ų | 41.9 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | G256 N351 | G256-G311 WeakPolarHBondContact O-CA 3.28Å; G311-N351 WeakPolarHBondContact O-CB 3.2Å; G311-N351 PolarHBondContact O-ND2 2.86Å |
| 312 | A | 94.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 20% | 0.198 | 26% | 0.261 | C | S | . | . | trans | -86.6 | 137 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | P284 V309 Q310 Y315 A349 | P284-A312 HydrophobicContact CB-CB 4.09Å; P284-A312 HydrophobicContact CG-CB 4.18Å; V309-A312 HydrophobicContact CG2-CB 3.72Å; Q310-A312 PolarHBondContact O-N 2.89Å; Q310-A312 VanDerWaalsContact O-N 3.17Å; A312-Y315 HydrophobicContact CB-CE1 4.24Å; A312-Y315 HydrophobicContact CB-CE2 4.41Å; A312-A349 HydrophobicContact CB-CB 3.96Å | ||
| 313 | N | 93.6 | Very high | 93.1 | Very high | 96 Ų | 96 | 47.2 Ų | 47.2 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -98.7 | -30.1 | 178 | -64.7 | -16.6 | 0 | 0 | 0 | 112.1 | Y350 N352 | N313-Y350 PolarHBondContact N-O 2.86Å; N313-N352 PolarHBondContact ND2-OD1 2.89Å |
| 314 | S | 95.4 | Very high | 93.2 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 163.2 | 178.5 | 66 | 0 | 0 | 0 | 0 | 111.8 | T327 Y350 | S314-T327 CarbonylContact C-O 3.59Å; S314-T327 VanDerWaalsContact CA-O 3.29Å; S314-T327 WeakPolarHBondContact CA-O 3.07Å; S314-T327 WeakPolarHBondContact CB-O 3.22Å; S314-Y350 PolarHBondContact N-O 2.96Å; S314-Y350 PolarHBondContact O-N 3.35Å |
| 315 | Y | 96.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.9 | -179.7 | -60.9 | -90.4 | 0 | 0 | 0 | 110 | P287 W306 T308 V309 A312 N326 T327 V347 T348 A349 | P287-Y315 HydrophobicContact CB-CD1 4.49Å; P287-Y315 HydrophobicContact CB-CE1 4.26Å; P287-Y315 HydrophobicContact CG-CD1 4.46Å; W306-Y315 AromaticContact CD1-CD1 3.82Å; W306-Y315 AromaticContact CD1-CE1 3.85Å; W306-Y315 AromaticContact CE2-CG 3.73Å; W306-Y315 VanDerWaalsContact CZ2-CB 3.47Å; W306-Y315 HydrophobicContact CZ2-CD2 4.14Å; W306-Y315 AromaticContact CZ2-CG 3.81Å; W306-Y315 HydrophobicContact CZ2-CG 3.81Å; W306-Y315 AromaticContact NE1-CD1 3.23Å; W306-Y315 AromaticContact NE1-CD2 3.54Å; W306-Y315 AromaticContact NE1-CE1 3.54Å; W306-Y315 AromaticContact NE1-CE2 3.87Å; W306-Y315 AromaticContact NE1-CG 3.23Å; W306-Y315 AromaticContact NE1-CZ 3.87Å; T308-Y315 VanDerWaalsContact CA-OH 3.24Å; T308-Y315 WeakPolarHBondContact CA-OH 3.13Å; T308-Y315 WeakPolarHBondContact CB-OH 3.41Å; T308-Y315 HydrophobicContact CG2-CE2 4.34Å; V309-Y315 HydrophobicContact CG2-CE1 4.18Å; V309-Y315 PolarHBondContact N-OH 3.31Å; V309-Y315 PolarHBondContact O-OH 2.86Å; A312-Y315 HydrophobicContact CB-CE1 4.24Å; A312-Y315 HydrophobicContact CB-CE2 4.41Å; Y315-N326 WeakPolarHBondContact O-CA 3.06Å; Y315-N326 PolarHBondContact O-OD1 2.92Å; Y315-N326 VanDerWaalsContact O-OD1 3.12Å; Y315-T327 PolarHBondContact N-O 3.48Å; Y315-T327 PolarHBondContact O-N 2.02Å; Y315-V347 HydrophobicContact CD1-CG1 4.13Å; Y315-T348 WeakPolarHBondContact CA-O 3.41Å; Y315-A349 HydrophobicContact CD1-CB 3.86Å; Y315-A349 HydrophobicContact CE1-CB 3.73Å |
| 316 | L | 95.6 | Very high | 93.2 | Very high | 46 Ų | 46 | 53.6 Ų | 53.6 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118.3 | 170 | -177.6 | 65.6 | 0 | 0 | 0 | 108.8 | N326 V347 T348 Y350 | L316-N326 HydrophobicContact CD1-CB 4.3Å; L316-V347 WeakPolarHBondContact O-CA 3.06Å; L316-T348 PolarHBondContact N-O 2.96Å; L316-T348 PolarHBondContact O-N 3.09Å; L316-Y350 HydrophobicContact CB-CD2 4.26Å; L316-Y350 HydrophobicContact CB-CE2 3.66Å; L316-Y350 HydrophobicContact CD2-CE2 4.21Å |
| 317 | V | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130.7 | 167.1 | -168 | 0 | 0 | 0 | 0 | 108.1 | V304 W306 S324 C325 C332 I334 V345 T346 V347 | V304-V317 HydrophobicContact CB-CG1 4.16Å; V304-V317 HydrophobicContact CG1-CG1 4.17Å; V304-V317 HydrophobicContact CG2-CG1 4.02Å; W306-V317 HydrophobicContact CE3-CG2 4.31Å; W306-V317 HydrophobicContact CH2-CG2 3.43Å; W306-V317 VanDerWaalsContact CH2-CG2 3.43Å; W306-V317 HydrophobicContact CZ2-CG2 4.43Å; W306-V317 HydrophobicContact CZ3-CG2 3.36Å; V317-S324 CarbonylContact O-C 3.45Å; V317-S324 WeakPolarHBondContact O-CA 3.01Å; V317-S324 WeakPolarHBondContact O-CB 3.46Å; V317-C325 PolarHBondContact N-O 2.82Å; V317-C325 PolarHBondContact O-N 2.96Å; V317-C332 HydrophobicContact CG2-CB 3.87Å; V317-I334 HydrophobicContact CB-CD1 4.33Å; V317-I334 HydrophobicContact CG1-CD1 3.87Å; V317-V345 HydrophobicContact CG1-CB 4.4Å; V317-T346 WeakPolarHBondContact CA-O 3.48Å; V317-V347 HydrophobicContact CG1-CG2 4.19Å; V317-V347 HydrophobicContact CG2-CG2 4.13Å |
| 318 | L | 94.4 | Very high | 93.2 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 41% | 0.408 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.5 | 176.2 | -177.4 | 65.4 | 0 | 0 | 0 | 109.5 | V345 T346 | L318-V345 WeakPolarHBondContact O-CA 3.49Å; L318-T346 PolarHBondContact N-O 2.74Å; L318-T346 PolarHBondContact O-N 2.99Å |
| 319 | A | 93.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 152 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | N321 G322 Q323 I334 S344 V345 | A319-N321 VanDerWaalsContact CB-OD1 3.27Å; A319-N321 WeakPolarHBondContact CB-OD1 3.21Å; A319-N321 PolarHBondContact O-N 2.03Å; A319-N321 VanDerWaalsContact O-N 3.1Å; A319-G322 PolarHBondContact O-N 2.76Å; A319-Q323 PolarHBondContact N-O 2.96Å; A319-I334 HydrophobicContact CB-CD1 4.16Å; A319-S344 CarbonylContact C-O 3.6Å; A319-S344 WeakPolarHBondContact CA-O 3.3Å; A319-V345 HydrophobicContact CB-CG1 4.07Å |
| 320 | S | 92.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 49% | 0.49 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.9 | -179.6 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | G322 H343 S344 | S320-G322 VanDerWaalsContact C-N 3.26Å; S320-H343 WeakPolarHBondContact OG-CA 3.47Å; S320-H343 VanDerWaalsContact OG-CB 3.3Å; S320-H343 WeakPolarHBondContact OG-CB 3.47Å; S320-S344 PolarHBondContact N-O 3.33Å; S320-S344 PolarHBondContact OG-N 3.25Å |
| 321 | N | 87.5 | Confident | 93.3 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 3.7 | 172.8 | 66.9 | 4.1 | 0 | 0 | 0 | 113.7 | A319 Q323 Q337 | A319-N321 VanDerWaalsContact CB-OD1 3.27Å; A319-N321 WeakPolarHBondContact CB-OD1 3.21Å; A319-N321 PolarHBondContact O-N 2.03Å; A319-N321 VanDerWaalsContact O-N 3.1Å; N321-Q323 VanDerWaalsContact C-N 3.32Å; N321-Q323 PolarHBondContact ND2-OE1 3.33Å; N321-Q323 VanDerWaalsContact ND2-OE1 3.07Å; N321-Q323 PolarHBondContact O-N 2.83Å; N321-Q323 VanDerWaalsContact OD1-CB 3.28Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.49Å; N321-Q323 WeakPolarHBondContact OD1-CG 3.31Å; N321-Q323 PolarHBondContact OD1-N 3.18Å; N321-Q337 PolarHBondContact ND2-OE1 2.86Å |
| 322 | G | 88.6 | Confident | 93.4 | Very high | 57 Ų | 57 | 51 Ų | 51 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 84.7 | -4.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | A319 S320 | A319-G322 PolarHBondContact O-N 2.76Å; S320-G322 VanDerWaalsContact C-N 3.26Å |
| 323 | Q | 91.4 | Very high | 93.3 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | trans | -72.2 | 144.2 | 171.4 | -62 | 177.2 | -29.9 | 0 | 0 | 110.4 | A319 N321 I334 P336 | A319-Q323 PolarHBondContact N-O 2.96Å; N321-Q323 VanDerWaalsContact C-N 3.32Å; N321-Q323 PolarHBondContact ND2-OE1 3.33Å; N321-Q323 VanDerWaalsContact ND2-OE1 3.07Å; N321-Q323 PolarHBondContact O-N 2.83Å; N321-Q323 VanDerWaalsContact OD1-CB 3.28Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.49Å; N321-Q323 WeakPolarHBondContact OD1-CG 3.31Å; N321-Q323 PolarHBondContact OD1-N 3.18Å; Q323-I334 HydrophobicContact CB-CG2 3.57Å; Q323-I334 HydrophobicContact CG-CG2 4.42Å; Q323-P336 PolarHBondContact NE2-O 2.88Å; Q323-P336 PolarHBondContact OE1-O 3.33Å | ||
| 324 | S | 94.1 | Very high | 93.2 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 49% | 0.49 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 160.8 | 177.7 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | V317 | V317-S324 CarbonylContact O-C 3.45Å; V317-S324 WeakPolarHBondContact O-CA 3.01Å; V317-S324 WeakPolarHBondContact O-CB 3.46Å |
| 325 | C | 94 | Very high | 92.9 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 14% | 0.142 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 147.4 | 171.6 | 72.8 | 0 | 0 | 0 | 0 | 110.5 | V317 C332 I334 | V317-C325 PolarHBondContact N-O 2.82Å; V317-C325 PolarHBondContact O-N 2.96Å; C325-C332 HydrophobicContact CB-CB 4.46Å; C325-C332 WeakPolarHBondContact CB-SG 3.22Å; C325-C332 WeakPolarHBondContact SG-CB 3.41Å; C325-C332 CovalentContact SG-SG 2.02Å; C325-C332 PolarHBondContact SG-SG 2.68Å; C325-I334 HydrophobicContact CB-CG1 4.26Å |
| 326 | N | 94.6 | Very high | 92.6 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.1 | -175.1 | -175 | 14.6 | 0 | 0 | 0 | 109.6 | Y315 L316 | Y315-N326 WeakPolarHBondContact O-CA 3.06Å; Y315-N326 PolarHBondContact O-OD1 2.92Å; Y315-N326 VanDerWaalsContact O-OD1 3.12Å; L316-N326 HydrophobicContact CD1-CB 4.3Å |
| 327 | T | 94.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 159.7 | -174.9 | -173 | 0 | 0 | 0 | 0 | 111.6 | W306 S314 Y315 D329 Y331 C332 | W306-T327 HydrophobicContact CH2-CG2 3.61Å; W306-T327 HydrophobicContact CZ2-CG2 3.53Å; S314-T327 CarbonylContact C-O 3.59Å; S314-T327 VanDerWaalsContact CA-O 3.29Å; S314-T327 WeakPolarHBondContact CA-O 3.07Å; S314-T327 WeakPolarHBondContact CB-O 3.22Å; Y315-T327 PolarHBondContact N-O 3.48Å; Y315-T327 PolarHBondContact O-N 2.02Å; T327-D329 WeakPolarHBondContact CG2-O 3.46Å; T327-D329 PolarHBondContact OG1-N 3.04Å; T327-Y331 WeakPolarHBondContact CG2-O 3.34Å; T327-C332 HydrophobicContact CG2-CB 3.98Å |
| 328 | S | 93.1 | Very high | 91.8 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 58% | 0.58 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -91 | -15.5 | 164.1 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 329 | D | 93.1 | Very high | 91.5 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -82.2 | 173.8 | -175.9 | -59.7 | -45.3 | 0 | 0 | 0 | 112.4 | W306 T327 Y331 | W306-D329 WeakPolarHBondContact CZ2-O 3.28Å; T327-D329 WeakPolarHBondContact CG2-O 3.46Å; T327-D329 PolarHBondContact OG1-N 3.04Å; D329-Y331 HydrophobicContact CB-CD1 4.18Å; D329-Y331 HydrophobicContact CB-CE1 4.02Å; D329-Y331 PolarHBondContact O-N 3.25Å |
| 330 | S | 92.6 | Very high | 91.2 | Very high | 51 Ų | 51 | 60.4 Ų | 60.4 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -82.3 | 9.9 | 177.4 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | W306 | W306-S330 PolarHBondContact N-O 2.88Š|
| 331 | Y | 94.3 | Very high | 91 | Very high | 90 Ų | 90 | 59.8 Ų | 59.8 | 35% | 0.353 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 155.4 | -178.2 | 70.1 | -90 | 0 | 0 | 0 | 111.8 | V304 Y305 T327 D329 F333 | V304-Y331 CarbonylContact O-C 3.6Å; V304-Y331 WeakPolarHBondContact O-CA 3.49Å; V304-Y331 WeakPolarHBondContact O-CB 2.99Å; Y305-Y331 VanDerWaalsContact CD1-CB 3.43Å; Y305-Y331 HydrophobicContact CD1-CG 4.33Å; Y305-Y331 HydrophobicContact CE1-CG 4.04Å; T327-Y331 WeakPolarHBondContact CG2-O 3.34Å; D329-Y331 HydrophobicContact CB-CD1 4.18Å; D329-Y331 HydrophobicContact CB-CE1 4.02Å; D329-Y331 PolarHBondContact O-N 3.25Å; Y331-F333 AromaticContact CD2-CE2 3.98Å; Y331-F333 HydrophobicContact CD2-CE2 3.98Å; Y331-F333 HydrophobicContact CD2-CZ 4.18Å; Y331-F333 HydrophobicContact CE2-CD2 4.4Å; Y331-F333 AromaticContact CE2-CE2 3.64Å; Y331-F333 HydrophobicContact CE2-CE2 3.64Å; Y331-F333 HydrophobicContact CE2-CZ 4.09Å |
| 332 | C | 93.3 | Very high | 91.2 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 154.4 | 172.6 | -170.5 | 0 | 0 | 0 | 0 | 112.7 | A303 V304 W306 V317 C325 T327 | A303-C332 WeakPolarHBondContact CA-O 3.39Å; V304-C332 PolarHBondContact N-O 3.12Å; V304-C332 PolarHBondContact O-N 3.42Å; W306-C332 HydrophobicContact CH2-CB 3.67Å; W306-C332 HydrophobicContact CZ3-CB 4.1Å; V317-C332 HydrophobicContact CG2-CB 3.87Å; C325-C332 HydrophobicContact CB-CB 4.46Å; C325-C332 WeakPolarHBondContact CB-SG 3.22Å; C325-C332 WeakPolarHBondContact SG-CB 3.41Å; C325-C332 CovalentContact SG-SG 2.02Å; C325-C332 PolarHBondContact SG-SG 2.68Å; T327-C332 HydrophobicContact CG2-CB 3.98Å |
| 333 | F | 92 | Very high | 91.3 | Very high | 109 Ų | 109 | 60.9 Ų | 60.9 | 48% | 0.478 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.7 | 180 | -57.6 | -75.6 | 0 | 0 | 0 | 111.2 | T295 I302 A303 Y331 | T295-F333 HydrophobicContact CG2-CD1 4.25Å; T295-F333 HydrophobicContact CG2-CE1 4.07Å; I302-F333 CarbonylContact O-C 3.58Å; I302-F333 VanDerWaalsContact O-CA 3.26Å; I302-F333 WeakPolarHBondContact O-CA 3.16Å; A303-F333 HydrophobicContact CB-CD1 3.56Å; A303-F333 HydrophobicContact CB-CE1 3.51Å; Y331-F333 AromaticContact CD2-CE2 3.98Å; Y331-F333 HydrophobicContact CD2-CE2 3.98Å; Y331-F333 HydrophobicContact CD2-CZ 4.18Å; Y331-F333 HydrophobicContact CE2-CD2 4.4Å; Y331-F333 AromaticContact CE2-CE2 3.64Å; Y331-F333 HydrophobicContact CE2-CE2 3.64Å; Y331-F333 HydrophobicContact CE2-CZ 4.09Å |
| 334 | I | 91.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.5 | 172.3 | -49.6 | -179.7 | 0 | 0 | 0 | 108.9 | G301 I302 V317 A319 Q323 C325 Q337 | G301-I334 WeakPolarHBondContact CA-O 3.46Å; I302-I334 HydrophobicContact CD1-CB 4.26Å; I302-I334 HydrophobicContact CD1-CD1 4.33Å; I302-I334 HydrophobicContact CG1-CB 3.89Å; I302-I334 PolarHBondContact N-O 2.81Å; I302-I334 PolarHBondContact O-N 2.85Å; V317-I334 HydrophobicContact CB-CD1 4.33Å; V317-I334 HydrophobicContact CG1-CD1 3.87Å; A319-I334 HydrophobicContact CB-CD1 4.16Å; Q323-I334 HydrophobicContact CB-CG2 3.57Å; Q323-I334 HydrophobicContact CG-CG2 4.42Å; C325-I334 HydrophobicContact CB-CG1 4.26Å; I334-Q337 PolarHBondContact O-NE2 3.3Å; I334-Q337 VanDerWaalsContact O-NE2 3.12Å |
| 335 | S | 89.3 | Confident | 91.4 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 51% | 0.51 | 32% | 0.318 | S | S | . | . | trans | -147.7 | 151.4 | 178.2 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 336 | P | 88.6 | Confident | 91.4 | Very high | 81 Ų | 81 | 57.1 Ų | 57.1 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | cis | -79 | 147.6 | -1.9 | 33.6 | -35.1 | 0 | 0 | 0 | 113.2 | L300 Q323 | L300-P336 CarbonylContact O-C 3.6Å; L300-P336 WeakPolarHBondContact O-CA 3.06Å; Q323-P336 PolarHBondContact NE2-O 2.88Å; Q323-P336 PolarHBondContact OE1-O 3.33Å |
| 337 | Q | 87.9 | Confident | 91.5 | Very high | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 156.7 | 163.3 | -60.1 | -54.1 | -40 | 0 | 0 | 110.5 | L300 I302 N321 I334 Y364 T366 | L300-Q337 HydrophobicContact CB-CB 4.31Å; L300-Q337 HydrophobicContact CD2-CB 3.93Å; L300-Q337 HydrophobicContact CG-CB 3.94Å; L300-Q337 PolarHBondContact O-N 3.26Å; I302-Q337 HydrophobicContact CG1-CG 4.29Å; I302-Q337 HydrophobicContact CG2-CG 4.3Å; N321-Q337 PolarHBondContact ND2-OE1 2.86Å; I334-Q337 PolarHBondContact O-NE2 3.3Å; I334-Q337 VanDerWaalsContact O-NE2 3.12Å; Q337-Y364 PolarHBondContact OE1-OH 2.86Å; Q337-T366 HydrophobicContact CB-CG2 4.36Å |
| 338 | E | 86.4 | Confident | 91.5 | Very high | 135 Ų | 135 | 51.5 Ų | 51.5 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 159.2 | 170.1 | -66.3 | -179.2 | 175.5 | 0 | 0 | 111.1 | Q341 T366 | E338-Q341 HydrophobicContact CB-CG 3.95Å; E338-Q341 PolarHBondContact OE2-NE2 2.88Å; E338-T366 WeakPolarHBondContact O-CB 3.45Å; E338-T366 WeakPolarHBondContact O-CG2 2.97Å; E338-T366 PolarHBondContact O-OG1 2.84Å; E338-T366 VanDerWaalsContact O-OG1 3.13Å |
| 339 | C | 88.4 | Confident | 91.6 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 32% | 0.324 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 164.1 | 173.3 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | Q341 Y367 C369 | C339-Q341 PolarHBondContact O-N 2.87Å; C339-Q341 VanDerWaalsContact O-N 3.16Å; C339-Y367 CarbonylContact C-O 3.53Å; C339-Y367 WeakPolarHBondContact CA-O 3.36Å; C339-Y367 WeakPolarHBondContact CB-O 3.39Å; C339-C369 HydrophobicContact CB-CB 3.98Å; C339-C369 WeakPolarHBondContact CB-SG 3.46Å; C339-C369 PolarHBondContact O-SG 3.09Å; C339-C369 VanDerWaalsContact O-SG 3.33Å; C339-C369 WeakPolarHBondContact SG-CA 3.38Å; C339-C369 WeakPolarHBondContact SG-CB 3.05Å; C339-C369 CovalentContact SG-SG 2.04Å; C339-C369 PolarHBondContact SG-SG 2.92Å |
| 340 | G | 87.1 | Confident | 91.7 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 16.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T366 Y367 L393 | G340-T366 PolarHBondContact N-OG1 2.88Å; G340-T366 VanDerWaalsContact N-OG1 3.14Å; G340-Y367 PolarHBondContact N-O 3.46Å; G340-L393 WeakPolarHBondContact O-CD1 3.46Å |
| 341 | Q | 88.4 | Confident | 91.8 | Very high | 56 Ų | 56 | 46 Ų | 46 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | trans | -94.7 | 149 | -179.7 | -63.9 | -62.2 | -13.2 | 0 | 0 | 112.6 | E338 C339 H343 I365 T366 | E338-Q341 HydrophobicContact CB-CG 3.95Å; E338-Q341 PolarHBondContact OE2-NE2 2.88Å; C339-Q341 PolarHBondContact O-N 2.87Å; C339-Q341 VanDerWaalsContact O-N 3.16Å; Q341-H343 PolarHBondContact OE1-CE1 3.11Å; Q341-I365 WeakPolarHBondContact O-CA 3.11Å; Q341-T366 HydrophobicContact CB-CG2 4.23Å; Q341-T366 PolarHBondContact N-OG1 2.84Å; Q341-T366 PolarHBondContact O-N 2.81Å; Q341-T366 PolarHBondContact O-OG1 3.13Å | ||
| 342 | N | 91.2 | Very high | 91.7 | Very high | 104 Ų | 104 | 48.5 Ų | 48.5 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 112.1 | 167.2 | -178.5 | 6.3 | 0 | 0 | 0 | 107.8 | I365 L393 | N342-I365 HydrophobicContact CB-CG2 4.24Å; N342-L393 HydrophobicContact CB-CD1 3.92Å |
| 343 | H | 91.2 | Very high | 91.6 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 17% | 0.171 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 169.7 | -170.2 | -76.5 | -10.3 | 0 | 0 | 0 | 110.3 | S320 Q341 G363 Y364 | S320-H343 WeakPolarHBondContact OG-CA 3.47Å; S320-H343 VanDerWaalsContact OG-CB 3.3Å; S320-H343 WeakPolarHBondContact OG-CB 3.47Å; Q341-H343 PolarHBondContact OE1-CE1 3.11Å; H343-G363 CarbonylContact O-C 3.57Å; H343-G363 WeakPolarHBondContact O-CA 3Å; H343-Y364 HydrophobicContact CB-CD1 4.34Å; H343-Y364 HydrophobicContact CB-CE1 3.55Å; H343-Y364 HydrophobicContact CB-CE2 4.21Å; H343-Y364 VanDerWaalsContact CB-CZ 3.49Å; H343-Y364 WeakPolarHBondContact CB-OH 3.27Å; H343-Y364 PolarHBondContact N-O 3.37Å; H343-Y364 WeakPolarHBondContact O-CD1 3.46Å; H343-Y364 PolarHBondContact O-N 2.87Å; H343-Y364 VanDerWaalsContact O-O 3.08Å |
| 344 | S | 92.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 44.4 Ų | 44.4 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 156.9 | 172.8 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | A319 S320 V362 | A319-S344 CarbonylContact C-O 3.6Å; A319-S344 WeakPolarHBondContact CA-O 3.3Å; S320-S344 PolarHBondContact N-O 3.33Å; S320-S344 PolarHBondContact OG-N 3.25Å; S344-V362 CarbonylContact C-O 3.53Å; S344-V362 WeakPolarHBondContact CA-O 3.45Å; S344-V362 WeakPolarHBondContact CB-O 3.46Å |
| 345 | V | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147 | 172.4 | -68.6 | 0 | 0 | 0 | 0 | 110.8 | V292 I302 V304 V317 L318 A319 V362 Y364 | V292-V345 HydrophobicContact CG2-CG2 3.65Å; I302-V345 HydrophobicContact CD1-CG1 3.85Å; V304-V345 HydrophobicContact CG1-CG2 4.08Å; V304-V345 HydrophobicContact CG2-CB 4.41Å; V304-V345 HydrophobicContact CG2-CG1 4.08Å; V304-V345 HydrophobicContact CG2-CG2 4.13Å; V317-V345 HydrophobicContact CG1-CB 4.4Å; L318-V345 WeakPolarHBondContact O-CA 3.49Å; A319-V345 HydrophobicContact CB-CG1 4.07Å; V345-V362 HydrophobicContact CG2-CB 4.37Å; V345-V362 PolarHBondContact N-O 2.83Å; V345-V362 PolarHBondContact O-N 2.77Å; V345-Y364 HydrophobicContact CG1-CD1 4.26Å; V345-Y364 HydrophobicContact CG1-CE1 3.75Å |
| 346 | T | 95.3 | Very high | 92 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 153.4 | 164.6 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | V317 L318 S359 | V317-T346 WeakPolarHBondContact CA-O 3.48Å; L318-T346 PolarHBondContact N-O 2.74Å; L318-T346 PolarHBondContact O-N 2.99Å; T346-S359 WeakPolarHBondContact CA-OG 3.28Å |
| 347 | V | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.6 | 175.9 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | P287 V289 V304 W306 Y315 L316 V317 S359 | P287-V347 HydrophobicContact CB-CG1 4.44Å; P287-V347 HydrophobicContact CG-CB 3.97Å; P287-V347 HydrophobicContact CG-CG1 3.77Å; P287-V347 WeakPolarHBondContact CG-O 3.31Å; V289-V347 HydrophobicContact CG2-CB 4.22Å; V289-V347 HydrophobicContact CG2-CG2 3.58Å; V304-V347 HydrophobicContact CG1-CG2 4.15Å; W306-V347 HydrophobicContact CD2-CG1 3.9Å; W306-V347 HydrophobicContact CD2-CG2 4.26Å; W306-V347 HydrophobicContact CE3-CG1 4.24Å; W306-V347 HydrophobicContact CE3-CG2 3.88Å; W306-V347 HydrophobicContact CG-CG1 4.14Å; W306-V347 HydrophobicContact CZ2-CG1 4.49Å; W306-V347 HydrophobicContact CZ3-CG2 4.36Å; Y315-V347 HydrophobicContact CD1-CG1 4.13Å; L316-V347 WeakPolarHBondContact O-CA 3.06Å; V317-V347 HydrophobicContact CG1-CG2 4.19Å; V317-V347 HydrophobicContact CG2-CG2 4.13Å; V347-S359 PolarHBondContact N-OG 2.67Å; V347-S359 PolarHBondContact O-N 3.18Å |
| 348 | T | 95.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.6 | 177.5 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | Y315 L316 Y350 P355 S356 | Y315-T348 WeakPolarHBondContact CA-O 3.41Å; L316-T348 PolarHBondContact N-O 2.96Å; L316-T348 PolarHBondContact O-N 3.09Å; T348-Y350 HydrophobicContact CG2-CD2 4.28Å; T348-Y350 HydrophobicContact CG2-CE2 3.66Å; T348-Y350 WeakPolarHBondContact O-CD2 3.5Å; T348-P355 HydrophobicContact CG2-CB 3.8Å; T348-S356 WeakPolarHBondContact CG2-O 3.45Å |
| 349 | A | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 145.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | P284 P287 V309 A312 Y315 P355 S356 | P284-A349 HydrophobicContact CB-CB 3.86Å; P284-A349 HydrophobicContact CG-CB 4.25Å; P287-A349 HydrophobicContact CG-CB 4.37Å; V309-A349 HydrophobicContact CG2-CB 3.64Å; A312-A349 HydrophobicContact CB-CB 3.96Å; Y315-A349 HydrophobicContact CD1-CB 3.86Å; Y315-A349 HydrophobicContact CE1-CB 3.73Å; A349-P355 CarbonylContact O-C 3.56Å; A349-P355 WeakPolarHBondContact O-CA 3.47Å; A349-S356 PolarHBondContact N-OG 3.31Å; A349-S356 PolarHBondContact O-N 2.04Å; A349-S356 PolarHBondContact O-OG 2.83Å |
| 350 | Y | 94.9 | Very high | 93 | Very high | 80 Ų | 80 | 45.4 Ų | 45.4 | 31% | 0.314 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.6 | -176.4 | -76.7 | -103.2 | 0 | 0 | 0 | 111.7 | N313 S314 L316 T348 P355 | N313-Y350 PolarHBondContact N-O 2.86Å; S314-Y350 PolarHBondContact N-O 2.96Å; S314-Y350 PolarHBondContact O-N 3.35Å; L316-Y350 HydrophobicContact CB-CD2 4.26Å; L316-Y350 HydrophobicContact CB-CE2 3.66Å; L316-Y350 HydrophobicContact CD2-CE2 4.21Å; T348-Y350 HydrophobicContact CG2-CD2 4.28Å; T348-Y350 HydrophobicContact CG2-CE2 3.66Å; T348-Y350 WeakPolarHBondContact O-CD2 3.5Å; Y350-P355 HydrophobicContact CD1-CB 4.07Å; Y350-P355 HydrophobicContact CE1-CB 3.68Å; Y350-P355 HydrophobicContact CE1-CG 4.28Å; Y350-P355 HydrophobicContact CE2-CB 4.29Å |
| 351 | N | 94.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 9% | 0.086 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | -170.2 | 166.4 | 76.5 | 7 | 0 | 0 | 0 | 111.4 | T282 P284 G311 A353 G354 | T282-N351 PolarHBondContact O-ND2 2.7Å; P284-N351 HydrophobicContact CG-CB 3.88Å; G311-N351 WeakPolarHBondContact O-CB 3.2Å; G311-N351 PolarHBondContact O-ND2 2.86Å; N351-A353 PolarHBondContact O-N 3.07Å; N351-A353 WeakPolarHBondContact OD1-CA 3.49Å; N351-A353 WeakPolarHBondContact OD1-CB 3.4Å; N351-A353 PolarHBondContact OD1-N 3.1Å; N351-G354 PolarHBondContact N-O 3.08Å; N351-G354 VanDerWaalsContact N-O 3.15Å; N351-G354 PolarHBondContact O-N 2.04Å; N351-G354 VanDerWaalsContact O-N 3.1Å; N351-G354 PolarHBondContact OD1-N 3.4Å |
| 352 | N | 91.9 | Very high | 93.4 | Very high | 143 Ų | 143 | 48 Ų | 48 | 77% | 0.765 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.8 | -177.3 | -64 | 2.5 | 0 | 0 | 0 | 114.1 | N313 | N313-N352 PolarHBondContact ND2-OD1 2.89Š|
| 353 | A | 91.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -20.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I281 R283 N351 | I281-A353 HydrophobicContact CG2-CB 3.94Å; I281-A353 VanDerWaalsContact O-CB 3.32Å; I281-A353 WeakPolarHBondContact O-CB 3.05Å; R283-A353 HydrophobicContact CG-CB 3.95Å; N351-A353 PolarHBondContact O-N 3.07Å; N351-A353 WeakPolarHBondContact OD1-CA 3.49Å; N351-A353 WeakPolarHBondContact OD1-CB 3.4Å; N351-A353 PolarHBondContact OD1-N 3.1Å |
| 354 | G | 91.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.8 | -166.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N351 | N351-G354 PolarHBondContact N-O 3.08Å; N351-G354 VanDerWaalsContact N-O 3.15Å; N351-G354 PolarHBondContact O-N 2.04Å; N351-G354 VanDerWaalsContact O-N 3.1Å; N351-G354 PolarHBondContact OD1-N 3.4Å |
| 355 | P | 94.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 45 Ų | 45 | 29% | 0.286 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 148 | 174.2 | 29.9 | -33.6 | 0 | 0 | 0 | 112.5 | R283 T348 A349 Y350 | R283-P355 WeakPolarHBondContact CD-O 3.45Å; R283-P355 PolarHBondContact NH1-O 3.19Å; R283-P355 VanDerWaalsContact NH1-O 3.17Å; T348-P355 HydrophobicContact CG2-CB 3.8Å; A349-P355 CarbonylContact O-C 3.56Å; A349-P355 WeakPolarHBondContact O-CA 3.47Å; Y350-P355 HydrophobicContact CD1-CB 4.07Å; Y350-P355 HydrophobicContact CE1-CB 3.68Å; Y350-P355 HydrophobicContact CE1-CG 4.28Å; Y350-P355 HydrophobicContact CE2-CB 4.29Å |
| 356 | S | 94.7 | Very high | 93 | Very high | 11 Ų | 11 | 45 Ų | 45 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 173.5 | 160.4 | 72.5 | 0 | 0 | 0 | 0 | 111.3 | P284 D285 T348 A349 | P284-S356 WeakPolarHBondContact O-CB 3.48Å; D285-S356 VanDerWaalsContact O-CB 3.27Å; D285-S356 WeakPolarHBondContact O-CB 3.25Å; T348-S356 WeakPolarHBondContact CG2-O 3.45Å; A349-S356 PolarHBondContact N-OG 3.31Å; A349-S356 PolarHBondContact O-N 2.04Å; A349-S356 PolarHBondContact O-OG 2.83Å |
| 357 | S | 92.6 | Very high | 92.7 | Very high | 80 Ų | 80 | 45 Ų | 45 | 56% | 0.559 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 145.5 | 155.3 | -64.4 | 0 | 0 | 0 | 0 | 109.7 | S286 | S286-S357 WeakPolarHBondContact CB-O 3.48Š|
| 358 | P | 93.5 | Very high | 92.5 | Very high | 75 Ų | 75 | 45.1 Ų | 45.1 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 152.5 | 171.5 | -21.7 | 33.4 | 0 | 0 | 0 | 111.8 | ||
| 359 | S | 94.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -57 | 164.8 | 169.3 | 75.1 | 0 | 0 | 0 | 0 | 112.2 | P287 T346 V347 | P287-S359 WeakPolarHBondContact O-CB 3.21Å; T346-S359 WeakPolarHBondContact CA-OG 3.28Å; V347-S359 PolarHBondContact N-OG 2.67Å; V347-S359 PolarHBondContact O-N 3.18Å |
| 360 | Q | 91.4 | Very high | 92 | Very high | 157 Ų | 157 | 47.3 Ų | 47.3 | 73% | 0.734 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 144.3 | 159.7 | -62.7 | -58.4 | -42.9 | 0 | 0 | 109.9 | V362 | Q360-V362 PolarHBondContact O-N 2.92Š|
| 361 | S | 91.4 | Very high | 91.8 | Very high | 80 Ų | 80 | 43.6 Ų | 43.6 | 56% | 0.559 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -78 | 119.4 | -179.6 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 362 | V | 92.6 | Very high | 91.4 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 29% | 0.285 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.1 | 178 | 178.7 | 0 | 0 | 0 | 0 | 109 | V289 V292 S344 V345 Q360 | V289-V362 HydrophobicContact CB-CG2 3.76Å; V289-V362 HydrophobicContact CG1-CB 4.2Å; V289-V362 HydrophobicContact CG1-CG2 3.82Å; V289-V362 HydrophobicContact CG2-CG2 4.47Å; V292-V362 HydrophobicContact CG2-CG1 3.98Å; S344-V362 CarbonylContact C-O 3.53Å; S344-V362 WeakPolarHBondContact CA-O 3.45Å; S344-V362 WeakPolarHBondContact CB-O 3.46Å; V345-V362 HydrophobicContact CG2-CB 4.37Å; V345-V362 PolarHBondContact N-O 2.83Å; V345-V362 PolarHBondContact O-N 2.77Å; Q360-V362 PolarHBondContact O-N 2.92Å |
| 363 | G | 90.4 | Very high | 91.2 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 142.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H343 | H343-G363 CarbonylContact O-C 3.57Å; H343-G363 WeakPolarHBondContact O-CA 3Å |
| 364 | Y | 90.4 | Very high | 91.2 | Very high | 17 Ų | 17 | 47 Ų | 47 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 146.5 | 172 | 70.6 | -80.4 | 0 | 0 | 0 | 109.7 | V292 I302 Q337 H343 V345 T366 | V292-Y364 HydrophobicContact CG1-CD1 4.39Å; V292-Y364 HydrophobicContact CG1-CG 4.07Å; I302-Y364 HydrophobicContact CD1-CE1 4.03Å; I302-Y364 HydrophobicContact CD1-CE2 4.06Å; I302-Y364 HydrophobicContact CG2-CD2 3.86Å; I302-Y364 HydrophobicContact CG2-CE2 3.73Å; Q337-Y364 PolarHBondContact OE1-OH 2.86Å; H343-Y364 HydrophobicContact CB-CD1 4.34Å; H343-Y364 HydrophobicContact CB-CE1 3.55Å; H343-Y364 HydrophobicContact CB-CE2 4.21Å; H343-Y364 VanDerWaalsContact CB-CZ 3.49Å; H343-Y364 WeakPolarHBondContact CB-OH 3.27Å; H343-Y364 PolarHBondContact N-O 3.37Å; H343-Y364 WeakPolarHBondContact O-CD1 3.46Å; H343-Y364 PolarHBondContact O-N 2.87Å; H343-Y364 VanDerWaalsContact O-O 3.08Å; V345-Y364 HydrophobicContact CG1-CD1 4.26Å; V345-Y364 HydrophobicContact CG1-CE1 3.75Å; Y364-T366 HydrophobicContact CD2-CG2 4.45Å; Y364-T366 HydrophobicContact CE2-CG2 4.1Å |
| 365 | I | 89.8 | Confident | 91.1 | Very high | 45 Ų | 45 | 50.6 Ų | 50.6 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 148.2 | 169.7 | 65.2 | 177.2 | 0 | 0 | 0 | 109.2 | Q341 N342 N436 Q437 A438 | Q341-I365 WeakPolarHBondContact O-CA 3.11Å; N342-I365 HydrophobicContact CB-CG2 4.24Å; I365-N436 HydrophobicContact CD1-CB 4.4Å; I365-Q437 HydrophobicContact CD1-CB 4.14Å; I365-A438 HydrophobicContact CG1-CB 4.02Å |
| 366 | T | 90 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 171 | 171.9 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | L294 L300 Q337 E338 G340 Q341 Y364 N436 | L294-T366 HydrophobicContact CD2-CG2 4.36Å; L300-T366 HydrophobicContact CD2-CG2 4.14Å; Q337-T366 HydrophobicContact CB-CG2 4.36Å; E338-T366 WeakPolarHBondContact O-CB 3.45Å; E338-T366 WeakPolarHBondContact O-CG2 2.97Å; E338-T366 PolarHBondContact O-OG1 2.84Å; E338-T366 VanDerWaalsContact O-OG1 3.13Å; G340-T366 PolarHBondContact N-OG1 2.88Å; G340-T366 VanDerWaalsContact N-OG1 3.14Å; Q341-T366 HydrophobicContact CB-CG2 4.23Å; Q341-T366 PolarHBondContact N-OG1 2.84Å; Q341-T366 PolarHBondContact O-N 2.81Å; Q341-T366 PolarHBondContact O-OG1 3.13Å; Y364-T366 HydrophobicContact CD2-CG2 4.45Å; Y364-T366 HydrophobicContact CE2-CG2 4.1Å; T366-N436 PolarHBondContact O-ND2 3.04Å; T366-N436 VanDerWaalsContact O-ND2 3.13Å |
| 367 | Y | 89.3 | Confident | 90.6 | Very high | 32 Ų | 32 | 53 Ų | 53 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 147.3 | 167.3 | -57.3 | -65.1 | 0 | 0 | 0 | 110.3 | L294 L300 C339 G340 A438 T440 L442 | L294-Y367 HydrophobicContact CB-CE2 4.12Å; L294-Y367 HydrophobicContact CD1-CD1 4.34Å; L294-Y367 HydrophobicContact CD1-CD2 4.43Å; L294-Y367 HydrophobicContact CD1-CE1 4.12Å; L294-Y367 HydrophobicContact CD1-CE2 4.18Å; L294-Y367 HydrophobicContact CD1-CG 4.48Å; L300-Y367 HydrophobicContact CD1-CD2 3.37Å; L300-Y367 HydrophobicContact CD1-CE2 3.42Å; L300-Y367 VanDerWaalsContact CD1-CE2 3.42Å; L300-Y367 HydrophobicContact CD2-CD2 4.4Å; C339-Y367 CarbonylContact C-O 3.53Å; C339-Y367 WeakPolarHBondContact CA-O 3.36Å; C339-Y367 WeakPolarHBondContact CB-O 3.39Å; G340-Y367 PolarHBondContact N-O 3.46Å; Y367-A438 HydrophobicContact CD1-CB 4.19Å; Y367-A438 WeakPolarHBondContact CE1-O 3.38Å; Y367-T440 WeakPolarHBondContact CD1-O 3.33Å; Y367-L442 HydrophobicContact CD2-CD2 4.27Å; Y367-L442 HydrophobicContact CD2-CG 4.2Å; Y367-L442 HydrophobicContact CE2-CD2 4.12Å |
| 368 | P | 91 | Very high | 90.3 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -66 | 152.2 | 175.5 | -8.1 | 22 | 0 | 0 | 0 | 111 | V391 V394 P434 N436 S441 | P368-V391 HydrophobicContact CB-CG1 4.38Å; P368-V394 HydrophobicContact CB-CG2 3.59Å; P368-V394 HydrophobicContact CG-CG2 3.97Å; P368-P434 HydrophobicContact CB-CB 3.85Å; P368-P434 HydrophobicContact CB-CG 3.86Å; P368-P434 HydrophobicContact CG-CB 4.08Å; P368-P434 HydrophobicContact CG-CG 4.39Å; P368-N436 HydrophobicContact CG-CB 4.07Å; P368-S441 WeakPolarHBondContact O-CB 3.06Å |
| 369 | C | 90.2 | Very high | 89.5 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 147.3 | 169.3 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | C339 V391 P434 | C339-C369 HydrophobicContact CB-CB 3.98Å; C339-C369 WeakPolarHBondContact CB-SG 3.46Å; C339-C369 PolarHBondContact O-SG 3.09Å; C339-C369 VanDerWaalsContact O-SG 3.33Å; C339-C369 WeakPolarHBondContact SG-CA 3.38Å; C339-C369 WeakPolarHBondContact SG-CB 3.05Å; C339-C369 CovalentContact SG-SG 2.04Å; C339-C369 PolarHBondContact SG-SG 2.92Å; C369-V391 WeakPolarHBondContact O-CG1 3.34Å; C369-P434 VanDerWaalsContact O-CG 3.24Å; C369-P434 WeakPolarHBondContact O-CG 3.4Å |
| 370 | P | 89.9 | Confident | 88.6 | Confident | 24 Ų | 24 | 56 Ų | 56 | 16% | 0.156 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 148.1 | 166.2 | 29 | -34.3 | 0 | 0 | 0 | 109.9 | E372 F443 | P370-E372 PolarHBondContact O-N 2.83Å; P370-F443 HydrophobicContact CG-CD2 4.11Å; P370-F443 HydrophobicContact CG-CE2 3.74Å; P370-F443 HydrophobicContact CG-CZ 4.39Å |
| 371 | P | 91.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.013 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 131.4 | 170.7 | -14.8 | 27.9 | 0 | 0 | 0 | 109.8 | I374 W388 E389 V391 V432 | P371-I374 HydrophobicContact CB-CD1 4.48Å; P371-I374 HydrophobicContact CB-CG1 4.06Å; P371-W388 HydrophobicContact CB-CB 4.14Å; P371-W388 HydrophobicContact CG-CB 4.34Å; P371-W388 HydrophobicContact CG-CG 4.41Å; P371-E389 HydrophobicContact CB-CG 4.25Å; P371-V391 HydrophobicContact CB-CG2 4.03Å; P371-V391 HydrophobicContact CG-CG2 3.88Å; P371-V432 HydrophobicContact CG-CB 4.31Å; P371-V432 HydrophobicContact CG-CG1 4.09Å |
| 372 | E | 86.9 | Confident | 87.2 | Confident | 158 Ų | 158 | 50 Ų | 50 | 74% | 0.738 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -72.7 | -41.8 | 177.2 | -56.1 | -171.7 | 166.9 | 0 | 0 | 110 | P370 E389 R447 | P370-E372 PolarHBondContact O-N 2.83Å; E372-E389 WeakPolarHBondContact CA-OE1 3.43Å; E372-E389 WeakPolarHBondContact CB-OE1 3.48Å; E372-E389 PolarHBondContact N-OE1 3.28Å; E372-R447 PolarHBondContact O-NH2 2.88Å; E372-R447 VanDerWaalsContact O-NH2 3.1Å |
| 373 | N | 87.1 | Confident | 87 | Confident | 84 Ų | 84 | 50.9 Ų | 50.9 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | trans | -103.7 | 112.6 | -178.5 | -164 | 11.1 | 0 | 0 | 0 | 112.2 | W375 W388 E389 | N373-W375 HydrophobicContact CB-CE3 4.43Å; N373-W375 HydrophobicContact CB-CZ3 4.15Å; N373-W375 WeakPolarHBondContact ND2-CZ3 3.22Å; N373-W388 WeakPolarHBondContact O-CA 3.43Å; N373-E389 PolarHBondContact N-OE1 3.18Å; N373-E389 PolarHBondContact O-N 2.84Å | ||
| 374 | I | 91 | Very high | 87 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125 | 175.6 | -55.4 | 168.7 | 0 | 0 | 0 | 107.2 | P371 V386 W388 V432 R447 | P371-I374 HydrophobicContact CB-CD1 4.48Å; P371-I374 HydrophobicContact CB-CG1 4.06Å; I374-V386 HydrophobicContact CG2-CG1 3.88Å; I374-W388 HydrophobicContact CG1-CB 4.07Å; I374-V432 HydrophobicContact CD1-CB 4.02Å; I374-V432 HydrophobicContact CD1-CG2 3.99Å; I374-V432 HydrophobicContact CG1-CG2 4.35Å; I374-V432 HydrophobicContact CG2-CG2 4.09Å; I374-R447 HydrophobicContact CB-CG 4.03Å; I374-R447 HydrophobicContact CG2-CG 4.48Å |
| 375 | W | 89.9 | Confident | 87.1 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 35% | 0.345 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 174.6 | 177.5 | 64.5 | 100.6 | 0 | 0 | 0 | 111.2 | N373 E377 V387 | N373-W375 HydrophobicContact CB-CE3 4.43Å; N373-W375 HydrophobicContact CB-CZ3 4.15Å; N373-W375 WeakPolarHBondContact ND2-CZ3 3.22Å; W375-E377 PolarHBondContact NE1-OE1 2.66Å; W375-V387 HydrophobicContact CD2-CB 4.2Å; W375-V387 HydrophobicContact CD2-CG1 4.41Å; W375-V387 HydrophobicContact CG-CB 4.48Å; W375-V387 HydrophobicContact CH2-CG1 3.94Å; W375-V387 HydrophobicContact CZ2-CB 4Å; W375-V387 HydrophobicContact CZ2-CG1 3.33Å; W375-V387 PolarHBondContact N-O 2.82Å; W375-V387 PolarHBondContact O-N 2.99Å |
| 376 | V | 89.9 | Confident | 87.2 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 127.9 | 176.2 | -180 | 0 | 0 | 0 | 0 | 109.2 | C384 S385 V386 F420 T430 Y449 | V376-C384 HydrophobicContact CG1-CB 3.9Å; V376-S385 CarbonylContact C-O 3.59Å; V376-S385 VanDerWaalsContact CA-O 3.3Å; V376-S385 WeakPolarHBondContact CA-O 3.41Å; V376-V386 HydrophobicContact CG2-CB 4.37Å; V376-V386 HydrophobicContact CG2-CG1 4.22Å; V376-V386 HydrophobicContact CG2-CG2 4.12Å; V376-F420 HydrophobicContact CG1-CE1 4.03Å; V376-F420 HydrophobicContact CG1-CZ 4.14Å; V376-T430 HydrophobicContact CG2-CG2 4.21Å; V376-Y449 HydrophobicContact CB-CD1 4.18Å; V376-Y449 HydrophobicContact CB-CD2 3.49Å; V376-Y449 VanDerWaalsContact CB-CD2 3.49Å; V376-Y449 HydrophobicContact CB-CE1 4.29Å; V376-Y449 HydrophobicContact CB-CE2 3.54Å; V376-Y449 HydrophobicContact CB-CG 3.75Å; V376-Y449 HydrophobicContact CG1-CD1 3.98Å; V376-Y449 HydrophobicContact CG1-CD2 4.17Å; V376-Y449 HydrophobicContact CG1-CE1 3.9Å; V376-Y449 HydrophobicContact CG1-CE2 4Å; V376-Y449 HydrophobicContact CG1-CG 4.08Å; V376-Y449 HydrophobicContact CG2-CD2 4.07Å; V376-Y449 HydrophobicContact CG2-CG 4.05Å; V376-Y449 WeakPolarHBondContact O-CE2 3.38Å; V376-Y449 PolarHBondContact O-OH 3.4Å |
| 377 | E | 89.1 | Confident | 87.4 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.5 | 177.5 | -63.4 | 175.3 | -176.2 | 0 | 0 | 109.2 | W375 P379 C384 S385 V387 | W375-E377 PolarHBondContact NE1-OE1 2.66Å; E377-P379 VanDerWaalsContact C-CD 3.41Å; E377-P379 WeakPolarHBondContact O-CD 3.05Å; E377-C384 CarbonylContact O-C 3.6Å; E377-C384 VanDerWaalsContact O-CA 3.28Å; E377-C384 WeakPolarHBondContact O-CA 3.42Å; E377-S385 PolarHBondContact N-O 2.85Å; E377-S385 PolarHBondContact O-N 2.8Å; E377-V387 HydrophobicContact CG-CG2 4.12Å |
| 378 | E | 85.4 | Confident | 87.6 | Confident | 59 Ų | 59 | 45 Ų | 45 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 75.4 | 174.5 | -173.1 | 174.6 | -172.2 | 0 | 0 | 108.7 | T380 | E378-T380 VanDerWaalsContact C-N 3.26Å; E378-T380 PolarHBondContact O-N 2.91Å |
| 379 | P | 77.2 | Confident | 87.6 | Confident | 87 Ų | 87 | 48.2 Ų | 48.2 | 57% | 0.565 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | -29 | -177.1 | 24 | -35.7 | 0 | 0 | 0 | 113.6 | E377 N383 | E377-P379 VanDerWaalsContact C-CD 3.41Å; E377-P379 WeakPolarHBondContact O-CD 3.05Å; P379-N383 WeakPolarHBondContact CD-O 3.46Å |
| 380 | T | 76.6 | Confident | 87.6 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 52% | 0.515 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 142.6 | 168.8 | 59.8 | 0 | 0 | 0 | 0 | 109.5 | E378 G382 N383 | E378-T380 VanDerWaalsContact C-N 3.26Å; E378-T380 PolarHBondContact O-N 2.91Å; T380-G382 PolarHBondContact O-N 2.82Å; T380-N383 PolarHBondContact O-N 3.37Å; T380-N383 WeakPolarHBondContact OG1-CB 3.06Å |
| 381 | A | 74.4 | Confident | 87.7 | Confident | 94 Ų | 94 | 54 Ų | 54 | 78% | 0.777 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 127.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 382 | G | 79.2 | Confident | 87.6 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -16.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T380 F421 C422 | T380-G382 PolarHBondContact O-N 2.82Å; G382-F421 CarbonylContact O-C 3.57Å; G382-F421 WeakPolarHBondContact O-CA 3.45Å; G382-F421 WeakPolarHBondContact O-CD2 3.34Å; G382-F421 WeakPolarHBondContact O-CE2 3.2Å; G382-C422 VanDerWaalsContact C-SG 3.57Å; G382-C422 VanDerWaalsContact CA-O 3.31Å; G382-C422 WeakPolarHBondContact CA-O 3.13Å; G382-C422 PolarHBondContact O-N 2.83Å |
| 383 | N | 87.5 | Confident | 87.7 | Confident | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 101.3 | -177.9 | -174.4 | 21.7 | 0 | 0 | 0 | 110.1 | P379 T380 | P379-N383 WeakPolarHBondContact CD-O 3.46Å; T380-N383 PolarHBondContact O-N 3.37Å; T380-N383 WeakPolarHBondContact OG1-CB 3.06Å |
| 384 | C | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 148.4 | -179.5 | -66.7 | 0 | 0 | 0 | 0 | 111 | V376 E377 F420 C422 | V376-C384 HydrophobicContact CG1-CB 3.9Å; E377-C384 CarbonylContact O-C 3.6Å; E377-C384 VanDerWaalsContact O-CA 3.28Å; E377-C384 WeakPolarHBondContact O-CA 3.42Å; C384-F420 HydrophobicContact CB-CD1 4.11Å; C384-F420 HydrophobicContact CB-CE1 3.52Å; C384-F420 HydrophobicContact CB-CE2 4.05Å; C384-F420 HydrophobicContact CB-CZ 3.49Å; C384-F420 VanDerWaalsContact CB-CZ 3.49Å; C384-F420 PolarHBondContact N-O 3Å; C384-F420 WeakPolarHBondContact O-CD1 3.38Å; C384-F420 PolarHBondContact O-N 2.82Å; C384-C422 HydrophobicContact CB-CB 3.66Å; C384-C422 WeakPolarHBondContact CB-SG 3.21Å; C384-C422 PolarHBondContact N-SG 2.88Å; C384-C422 WeakPolarHBondContact SG-CB 3.32Å; C384-C422 CovalentContact SG-SG 2.03Å; C384-C422 PolarHBondContact SG-SG 2.83Å |
| 385 | S | 91.8 | Very high | 87.9 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 122.3 | 169.7 | 36.7 | 0 | 0 | 0 | 0 | 110.5 | V376 E377 C418 | V376-S385 CarbonylContact C-O 3.59Å; V376-S385 VanDerWaalsContact CA-O 3.3Å; V376-S385 WeakPolarHBondContact CA-O 3.41Å; E377-S385 PolarHBondContact N-O 2.85Å; E377-S385 PolarHBondContact O-N 2.8Å; S385-C418 CarbonylContact C-O 3.58Å; S385-C418 VanDerWaalsContact CA-O 3.3Å; S385-C418 WeakPolarHBondContact CA-O 3.45Å |
| 386 | V | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.4 | 162.7 | -165.6 | 0 | 0 | 0 | 0 | 107.1 | I374 V376 W388 I401 T417 C418 F420 T430 V432 | I374-V386 HydrophobicContact CG2-CG1 3.88Å; V376-V386 HydrophobicContact CG2-CB 4.37Å; V376-V386 HydrophobicContact CG2-CG1 4.22Å; V376-V386 HydrophobicContact CG2-CG2 4.12Å; V386-W388 HydrophobicContact CB-CE3 4.44Å; V386-W388 HydrophobicContact CB-CZ3 4.12Å; V386-W388 HydrophobicContact CG1-CE3 4.06Å; V386-W388 HydrophobicContact CG1-CZ3 4.16Å; V386-W388 WeakPolarHBondContact O-CZ3 3.49Å; V386-I401 HydrophobicContact CG2-CD1 4.23Å; V386-I401 HydrophobicContact CG2-CG1 3.67Å; V386-T417 CarbonylContact O-C 3.6Å; V386-T417 WeakPolarHBondContact O-CA 3.45Å; V386-C418 PolarHBondContact N-O 3.22Å; V386-C418 PolarHBondContact O-N 2.87Å; V386-F420 HydrophobicContact CG2-CD1 3.9Å; V386-F420 HydrophobicContact CG2-CE1 3.5Å; V386-F420 HydrophobicContact CG2-CZ 4.45Å; V386-T430 HydrophobicContact CG1-CG2 4.2Å; V386-T430 HydrophobicContact CG2-CG2 3.65Å; V386-V432 HydrophobicContact CG1-CG2 4.5Å |
| 387 | V | 93.6 | Very high | 88.3 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.3 | -180 | -173.9 | 0 | 0 | 0 | 0 | 108 | W375 E377 T416 T417 | W375-V387 HydrophobicContact CD2-CB 4.2Å; W375-V387 HydrophobicContact CD2-CG1 4.41Å; W375-V387 HydrophobicContact CG-CB 4.48Å; W375-V387 HydrophobicContact CH2-CG1 3.94Å; W375-V387 HydrophobicContact CZ2-CB 4Å; W375-V387 HydrophobicContact CZ2-CG1 3.33Å; W375-V387 PolarHBondContact N-O 2.82Å; W375-V387 PolarHBondContact O-N 2.99Å; E377-V387 HydrophobicContact CG-CG2 4.12Å; V387-T416 WeakPolarHBondContact CA-O 3.26Å; V387-T417 HydrophobicContact CB-CG2 4.39Å; V387-T417 HydrophobicContact CG1-CG2 4.02Å; V387-T417 HydrophobicContact CG2-CG2 3.96Å |
| 388 | W | 93.5 | Very high | 88.6 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.011 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 169.5 | 176.8 | 52.5 | 96.1 | 0 | 0 | 0 | 110.3 | P371 N373 I374 V386 Y397 A399 T413 K415 T416 C418 V432 | P371-W388 HydrophobicContact CB-CB 4.14Å; P371-W388 HydrophobicContact CG-CB 4.34Å; P371-W388 HydrophobicContact CG-CG 4.41Å; N373-W388 WeakPolarHBondContact O-CA 3.43Å; I374-W388 HydrophobicContact CG1-CB 4.07Å; V386-W388 HydrophobicContact CB-CE3 4.44Å; V386-W388 HydrophobicContact CB-CZ3 4.12Å; V386-W388 HydrophobicContact CG1-CE3 4.06Å; V386-W388 HydrophobicContact CG1-CZ3 4.16Å; V386-W388 WeakPolarHBondContact O-CZ3 3.49Å; W388-Y397 AromaticContact CD1-CD1 3.87Å; W388-Y397 AromaticContact CD1-CE1 3.77Å; W388-Y397 AromaticContact CE2-CG 3.86Å; W388-Y397 HydrophobicContact CZ2-CD2 4.31Å; W388-Y397 AromaticContact CZ2-CG 3.93Å; W388-Y397 HydrophobicContact CZ2-CG 3.93Å; W388-Y397 AromaticContact NE1-CD1 3.17Å; W388-Y397 AromaticContact NE1-CD2 3.6Å; W388-Y397 AromaticContact NE1-CE1 3.42Å; W388-Y397 AromaticContact NE1-CE2 3.86Å; W388-Y397 AromaticContact NE1-CG 3.27Å; W388-Y397 VanDerWaalsContact NE1-CG 3.27Å; W388-Y397 AromaticContact NE1-CZ 3.78Å; W388-A399 HydrophobicContact CH2-CB 3.83Å; W388-A399 HydrophobicContact CZ3-CB 3.88Å; W388-T413 HydrophobicContact CH2-CG2 3.9Å; W388-T413 HydrophobicContact CZ2-CG2 3.89Å; W388-K415 WeakPolarHBondContact CZ2-O 3.33Å; W388-T416 PolarHBondContact N-O 2.83Å; W388-T416 VanDerWaalsContact N-O 3.1Å; W388-T416 VanDerWaalsContact O-CB 3.32Å; W388-T416 WeakPolarHBondContact O-CB 3.46Å; W388-C418 HydrophobicContact CH2-CB 3.83Å; W388-C418 HydrophobicContact CZ3-CB 3.89Å; W388-V432 HydrophobicContact CD2-CB 4.42Å; W388-V432 HydrophobicContact CD2-CG1 3.74Å; W388-V432 HydrophobicContact CD2-CG2 3.89Å; W388-V432 HydrophobicContact CE3-CG1 4.24Å; W388-V432 HydrophobicContact CE3-CG2 3.63Å; W388-V432 HydrophobicContact CG-CG1 3.99Å; W388-V432 HydrophobicContact CG-CG2 4.33Å; W388-V432 HydrophobicContact CZ2-CG1 4.16Å; W388-V432 HydrophobicContact CZ3-CG2 4.1Å |
| 389 | E | 92.1 | Very high | 88.9 | Confident | 71 Ų | 71 | 48.3 Ų | 48.3 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 160.5 | 173.3 | 72.1 | -160 | 148.5 | 0 | 0 | 112.9 | P371 E372 N373 V391 | P371-E389 HydrophobicContact CB-CG 4.25Å; E372-E389 WeakPolarHBondContact CA-OE1 3.43Å; E372-E389 WeakPolarHBondContact CB-OE1 3.48Å; E372-E389 PolarHBondContact N-OE1 3.28Å; N373-E389 PolarHBondContact N-OE1 3.18Å; N373-E389 PolarHBondContact O-N 2.84Å; E389-V391 PolarHBondContact O-N 2.97Å |
| 390 | E | 89.8 | Confident | 89.7 | Confident | 168 Ų | 168 | 48 Ų | 48 | 79% | 0.785 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 116.4 | 177.7 | -171 | 173.1 | -177.2 | 0 | 0 | 110.6 | T416 | E390-T416 HydrophobicContact CB-CG2 3.97Å; E390-T416 HydrophobicContact CG-CG2 4.44Å |
| 391 | V | 91.7 | Very high | 90.4 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -92.1 | 132.6 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | P368 C369 P371 E389 V394 Y397 | P368-V391 HydrophobicContact CB-CG1 4.38Å; C369-V391 WeakPolarHBondContact O-CG1 3.34Å; P371-V391 HydrophobicContact CB-CG2 4.03Å; P371-V391 HydrophobicContact CG-CG2 3.88Å; E389-V391 PolarHBondContact O-N 2.97Å; V391-V394 HydrophobicContact CB-CG2 3.81Å; V391-V394 HydrophobicContact CG1-CG2 3.77Å; V391-V394 WeakPolarHBondContact O-CG2 3.26Å; V391-Y397 HydrophobicContact CB-CE1 4.38Å; V391-Y397 HydrophobicContact CG2-CE1 4.4Å; V391-Y397 PolarHBondContact N-OH 2.82Å; V391-Y397 PolarHBondContact O-OH 2.89Å |
| 392 | P | 89.1 | Confident | 91.2 | Very high | 91 Ų | 91 | 43.9 Ų | 43.9 | 59% | 0.591 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 156.8 | 178 | 29.4 | -36 | 0 | 0 | 0 | 112.5 | V394 | P392-V394 VanDerWaalsContact C-N 3.26Å; P392-V394 PolarHBondContact O-N 2.75Å |
| 393 | L | 88.5 | Confident | 91.8 | Very high | 69 Ų | 69 | 45.2 Ų | 45.2 | 36% | 0.361 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 32.5 | -178.1 | -52.8 | 177.6 | 0 | 0 | 0 | 114.1 | G340 N342 N436 | G340-L393 WeakPolarHBondContact O-CD1 3.46Å; N342-L393 HydrophobicContact CB-CD1 3.92Å; L393-N436 WeakPolarHBondContact O-CB 3.43Å; L393-N436 PolarHBondContact O-ND2 2.94Å |
| 394 | V | 91.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 19% | 0.194 | 23% | 0.225 | C | C | . | . | trans | -109.5 | 137.1 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | P368 V391 P392 Y396 Y397 P434 | P368-V394 HydrophobicContact CB-CG2 3.59Å; P368-V394 HydrophobicContact CG-CG2 3.97Å; V391-V394 HydrophobicContact CB-CG2 3.81Å; V391-V394 HydrophobicContact CG1-CG2 3.77Å; V391-V394 WeakPolarHBondContact O-CG2 3.26Å; P392-V394 VanDerWaalsContact C-N 3.26Å; P392-V394 PolarHBondContact O-N 2.75Å; V394-Y396 WeakPolarHBondContact CG1-O 3.3Å; V394-Y397 HydrophobicContact CG1-CD1 4.24Å; V394-Y397 HydrophobicContact CG1-CD2 4.16Å; V394-Y397 HydrophobicContact CG1-CE1 3.88Å; V394-Y397 HydrophobicContact CG1-CE2 3.76Å; V394-Y397 HydrophobicContact CG1-CG 4.36Å; V394-Y397 HydrophobicContact CG2-CE1 4.42Å; V394-P434 HydrophobicContact CB-CB 4.41Å; V394-P434 HydrophobicContact CG1-CB 3.85Å; V394-P434 HydrophobicContact CG2-CB 3.56Å | ||
| 395 | E | 92.4 | Very high | 91.4 | Very high | 99 Ų | 99 | 49.2 Ų | 49.2 | 46% | 0.463 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -95 | -39.7 | 173.4 | -64.4 | -176.8 | 160.7 | 0 | 0 | 111.6 | Y435 Q437 | E395-Y435 PolarHBondContact N-O 2.82Å; E395-Q437 WeakPolarHBondContact OE1-CG 3.35Å; E395-Q437 PolarHBondContact OE1-NE2 3Å |
| 396 | Y | 93.5 | Very high | 91 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 168.1 | 175.9 | 66.1 | -83.2 | 0 | 0 | 0 | 112 | V394 V398 N412 Y435 | V394-Y396 WeakPolarHBondContact CG1-O 3.3Å; Y396-V398 HydrophobicContact CD2-CG2 4.14Å; Y396-V398 HydrophobicContact CE2-CG2 3.85Å; Y396-N412 VanDerWaalsContact CD2-OD1 3.22Å; Y396-N412 WeakPolarHBondContact CD2-OD1 3.32Å; Y396-Y435 HydrophobicContact CD2-CD2 4.32Å; Y396-Y435 HydrophobicContact CD2-CG 4.27Å; Y396-Y435 HydrophobicContact CE1-CG 4.28Å; Y396-Y435 HydrophobicContact CE2-CD1 4.06Å; Y396-Y435 AromaticContact CE2-CD2 3.85Å; Y396-Y435 HydrophobicContact CE2-CD2 3.85Å; Y396-Y435 AromaticContact CE2-CG 3.58Å; Y396-Y435 HydrophobicContact CE2-CG 3.58Å; Y396-Y435 VanDerWaalsContact CZ-CB 3.42Å; Y396-Y435 AromaticContact CZ-CD1 3.78Å; Y396-Y435 AromaticContact CZ-CG 3.59Å; Y396-Y435 PolarHBondContact N-O 2.98Å; Y396-Y435 PolarHBondContact O-N 3.34Å; Y396-Y435 WeakPolarHBondContact OH-CD1 3.32Å |
| 397 | Y | 94.2 | Very high | 90.7 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.6 | 178.3 | -58 | -94.5 | 0 | 0 | 0 | 110.4 | W388 V391 V394 N412 T413 T416 V432 F433 P434 | W388-Y397 AromaticContact CD1-CD1 3.87Å; W388-Y397 AromaticContact CD1-CE1 3.77Å; W388-Y397 AromaticContact CE2-CG 3.86Å; W388-Y397 HydrophobicContact CZ2-CD2 4.31Å; W388-Y397 AromaticContact CZ2-CG 3.93Å; W388-Y397 HydrophobicContact CZ2-CG 3.93Å; W388-Y397 AromaticContact NE1-CD1 3.17Å; W388-Y397 AromaticContact NE1-CD2 3.6Å; W388-Y397 AromaticContact NE1-CE1 3.42Å; W388-Y397 AromaticContact NE1-CE2 3.86Å; W388-Y397 AromaticContact NE1-CG 3.27Å; W388-Y397 VanDerWaalsContact NE1-CG 3.27Å; W388-Y397 AromaticContact NE1-CZ 3.78Å; V391-Y397 HydrophobicContact CB-CE1 4.38Å; V391-Y397 HydrophobicContact CG2-CE1 4.4Å; V391-Y397 PolarHBondContact N-OH 2.82Å; V391-Y397 PolarHBondContact O-OH 2.89Å; V394-Y397 HydrophobicContact CG1-CD1 4.24Å; V394-Y397 HydrophobicContact CG1-CD2 4.16Å; V394-Y397 HydrophobicContact CG1-CE1 3.88Å; V394-Y397 HydrophobicContact CG1-CE2 3.76Å; V394-Y397 HydrophobicContact CG1-CG 4.36Å; V394-Y397 HydrophobicContact CG2-CE1 4.42Å; Y397-N412 WeakPolarHBondContact O-CA 3.49Å; Y397-T413 PolarHBondContact N-O 2.81Å; Y397-T413 PolarHBondContact O-N 3.2Å; Y397-T416 HydrophobicContact CE2-CG2 4.45Å; Y397-V432 HydrophobicContact CD1-CG1 3.89Å; Y397-V432 HydrophobicContact CG-CG1 4.46Å; Y397-F433 CarbonylContact C-O 3.6Å; Y397-F433 WeakPolarHBondContact CA-O 3.12Å; Y397-P434 HydrophobicContact CD1-CB 3.83Å; Y397-P434 HydrophobicContact CE1-CB 3.84Å |
| 398 | V | 93.9 | Very high | 90.5 | Very high | 17 Ų | 17 | 59 Ų | 59 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 107.9 | 165.7 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | Y396 F400 C411 N412 F433 Y435 | Y396-V398 HydrophobicContact CD2-CG2 4.14Å; Y396-V398 HydrophobicContact CE2-CG2 3.85Å; V398-F400 HydrophobicContact CB-CE2 4.36Å; V398-F400 HydrophobicContact CG1-CD2 4.21Å; V398-F400 HydrophobicContact CG1-CE2 3.59Å; V398-F400 HydrophobicContact CG1-CZ 3.78Å; V398-C411 CarbonylContact C-O 3.59Å; V398-C411 VanDerWaalsContact CA-O 3.26Å; V398-C411 WeakPolarHBondContact CA-O 3.06Å; V398-N412 HydrophobicContact CG2-CB 4.43Å; V398-F433 PolarHBondContact N-O 3.05Å; V398-F433 PolarHBondContact O-N 2.84Å; V398-Y435 HydrophobicContact CB-CD2 4.36Å; V398-Y435 HydrophobicContact CB-CE2 3.75Å; V398-Y435 HydrophobicContact CG2-CD2 3.82Å; V398-Y435 HydrophobicContact CG2-CE2 3.45Å; V398-Y435 VanDerWaalsContact CG2-CE2 3.45Å |
| 399 | A | 93.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | W388 I401 S410 C411 C418 S431 V432 | W388-A399 HydrophobicContact CH2-CB 3.83Å; W388-A399 HydrophobicContact CZ3-CB 3.88Å; A399-I401 HydrophobicContact CB-CD1 4.31Å; A399-S410 CarbonylContact O-C 3.42Å; A399-S410 VanDerWaalsContact O-CA 3.27Å; A399-S410 WeakPolarHBondContact O-CA 3.42Å; A399-C411 HydrophobicContact CB-CB 4.44Å; A399-C411 PolarHBondContact N-O 2.9Å; A399-C411 PolarHBondContact O-N 2.97Å; A399-C418 HydrophobicContact CB-CB 4.11Å; A399-S431 CarbonylContact C-O 3.55Å; A399-S431 WeakPolarHBondContact CA-O 3.48Å; A399-V432 HydrophobicContact CB-CG2 4.12Å |
| 400 | F | 92.5 | Very high | 90.3 | Very high | 81 Ų | 81 | 64 Ų | 64 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.1 | 169.5 | -65.1 | -91 | 0 | 0 | 0 | 109.4 | V398 T430 S431 F433 | V398-F400 HydrophobicContact CB-CE2 4.36Å; V398-F400 HydrophobicContact CG1-CD2 4.21Å; V398-F400 HydrophobicContact CG1-CE2 3.59Å; V398-F400 HydrophobicContact CG1-CZ 3.78Å; F400-T430 WeakPolarHBondContact O-CA 3.37Å; F400-S431 PolarHBondContact N-O 2.86Å; F400-S431 PolarHBondContact O-N 2.88Å; F400-F433 AromaticContact CD2-CD2 3.75Å; F400-F433 HydrophobicContact CD2-CD2 3.75Å; F400-F433 AromaticContact CD2-CE2 4Å; F400-F433 HydrophobicContact CD2-CE2 4Å; F400-F433 AromaticContact CE2-CD2 3.9Å; F400-F433 HydrophobicContact CE2-CD2 3.9Å; F400-F433 HydrophobicContact CE2-CE2 4.28Å |
| 401 | I | 92.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 106.8 | 177.6 | -58.1 | 91.7 | 0 | 0 | 0 | 106.7 | V386 A399 E408 K409 C418 F420 Y428 T430 | V386-I401 HydrophobicContact CG2-CD1 4.23Å; V386-I401 HydrophobicContact CG2-CG1 3.67Å; A399-I401 HydrophobicContact CB-CD1 4.31Å; I401-E408 WeakPolarHBondContact O-CA 3.3Å; I401-K409 PolarHBondContact N-O 3.32Å; I401-K409 PolarHBondContact O-N 2.03Å; I401-C418 WeakPolarHBondContact CD1-SG 3.3Å; I401-F420 HydrophobicContact CG1-CD1 4.41Å; I401-F420 HydrophobicContact CG2-CD2 3.98Å; I401-F420 HydrophobicContact CG2-CE1 4.49Å; I401-F420 HydrophobicContact CG2-CE2 3.88Å; I401-F420 HydrophobicContact CG2-CG 4.32Å; I401-F420 HydrophobicContact CG2-CZ 4.16Å; I401-Y428 HydrophobicContact CG2-CD1 3.86Å; I401-Y428 HydrophobicContact CG2-CG 4.47Å; I401-T430 HydrophobicContact CG1-CG2 4.04Å; I401-T430 HydrophobicContact CG2-CG2 4.22Å |
| 402 | K | 91.3 | Very high | 90.6 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 37% | 0.37 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.6 | 178.5 | -179.7 | 168.2 | -167 | 147.1 | 0 | 109.6 | E408 Y428 L429 | K402-E408 HydrophobicContact CB-CG 3.97Å; K402-E408 HydrophobicContact CD-CG 4.04Å; K402-E408 VanDerWaalsContact CD-OE1 3.31Å; K402-E408 WeakPolarHBondContact CD-OE1 3.3Å; K402-E408 WeakPolarHBondContact CE-OE1 3.28Å; K402-E408 HydrophobicContact CG-CG 3.78Å; K402-E408 IonicContact NZ-OE1 3.41Å; K402-E408 PolarHBondContact NZ-OE1 2.84Å; K402-Y428 CarbonylContact O-C 3.58Å; K402-L429 HydrophobicContact CB-CB 4.34Å; K402-L429 PolarHBondContact N-O 3.11Å; K402-L429 PolarHBondContact O-N 3.03Å |
| 403 | R | 90.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 150.4 | 172.1 | -168.9 | 166.2 | 72.8 | -154.4 | 4.1 | 109.5 | D405 G406 T407 M423 Y426 Y428 | R403-D405 WeakPolarHBondContact CB-OD1 3.3Å; R403-D405 IonicContact CZ-OD1 3.49Å; R403-D405 IonicContact CZ-OD2 3.84Å; R403-D405 VanDerWaalsContact NE-CG 3.26Å; R403-D405 IonicContact NE-OD1 3.41Å; R403-D405 PolarHBondContact NE-OD1 3.22Å; R403-D405 VanDerWaalsContact NE-OD1 3.07Å; R403-D405 IonicContact NE-OD2 2.71Å; R403-D405 PolarHBondContact NE-OD2 2.81Å; R403-D405 IonicContact NH2-OD1 2.74Å; R403-D405 IonicContact NH2-OD2 3.17Å; R403-D405 PolarHBondContact NH2-OD2 2.64Å; R403-D405 PolarHBondContact O-N 2.93Å; R403-D405 VanDerWaalsContact O-N 3.12Å; R403-G406 PolarHBondContact O-N 3.15Å; R403-T407 WeakPolarHBondContact CB-OG1 3.37Å; R403-T407 PolarHBondContact N-O 2.92Å; R403-T407 PolarHBondContact NE-OG1 2.88Å; R403-T407 VanDerWaalsContact NE-OG1 3.08Å; R403-T407 PolarHBondContact NH2-OG1 2.03Å; R403-M423 VanDerWaalsContact NH1-CE 3.33Å; R403-Y426 HydrophobicContact CG-CD1 3.49Å; R403-Y426 VanDerWaalsContact CG-CD1 3.49Å; R403-Y426 HydrophobicContact CG-CE1 4.33Å; R403-Y426 HydrophobicContact CG-CG 4.1Å; R403-Y428 HydrophobicContact CB-CD1 4.03Å; R403-Y428 HydrophobicContact CB-CE1 3.91Å; R403-Y428 WeakPolarHBondContact CD-OH 3.32Å; R403-Y428 HydrophobicContact CG-CD1 4.16Å; R403-Y428 HydrophobicContact CG-CE1 3.73Å |
| 404 | D | 86.4 | Confident | 91 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 40% | 0.401 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.9 | -178.1 | 67.3 | -9.4 | 0 | 0 | 0 | 115.3 | G406 Y426 T427 K477 | D404-G406 PolarHBondContact O-N 3.07Å; D404-Y426 WeakPolarHBondContact OD1-CD1 3.22Å; D404-T427 PolarHBondContact N-O 2.98Å; D404-K477 IonicContact OD1-NZ 3.81Å; D404-K477 PolarHBondContact OD1-NZ 3.02Å; D404-K477 WeakPolarHBondContact OD2-CE 3.24Å; D404-K477 IonicContact OD2-NZ 2.77Å; D404-K477 PolarHBondContact OD2-NZ 2.88Å |
| 405 | D | 85.1 | Confident | 91.1 | Very high | 72 Ų | 72 | 65.9 Ų | 65.9 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -0.3 | 171.1 | 69.6 | -3.8 | 0 | 0 | 0 | 114.2 | R403 T407 Y426 | R403-D405 WeakPolarHBondContact CB-OD1 3.3Å; R403-D405 IonicContact CZ-OD1 3.49Å; R403-D405 IonicContact CZ-OD2 3.84Å; R403-D405 VanDerWaalsContact NE-CG 3.26Å; R403-D405 IonicContact NE-OD1 3.41Å; R403-D405 PolarHBondContact NE-OD1 3.22Å; R403-D405 VanDerWaalsContact NE-OD1 3.07Å; R403-D405 IonicContact NE-OD2 2.71Å; R403-D405 PolarHBondContact NE-OD2 2.81Å; R403-D405 IonicContact NH2-OD1 2.74Å; R403-D405 IonicContact NH2-OD2 3.17Å; R403-D405 PolarHBondContact NH2-OD2 2.64Å; R403-D405 PolarHBondContact O-N 2.93Å; R403-D405 VanDerWaalsContact O-N 3.12Å; D405-T407 WeakPolarHBondContact OD1-CB 3.44Å; D405-T407 PolarHBondContact OD1-N 3.16Å; D405-T407 PolarHBondContact OD1-OG1 2.84Å; D405-Y426 HydrophobicContact CB-CE1 4.29Å |
| 406 | G | 82.6 | Confident | 91.1 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 89.2 | -0.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R403 D404 | R403-G406 PolarHBondContact O-N 3.15Å; D404-G406 PolarHBondContact O-N 3.07Å |
| 407 | T | 87.6 | Confident | 91 | Very high | 64 Ų | 64 | 62.4 Ų | 62.4 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | trans | -73 | 133.8 | 173.6 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | R403 D405 | R403-T407 WeakPolarHBondContact CB-OG1 3.37Å; R403-T407 PolarHBondContact N-O 2.92Å; R403-T407 PolarHBondContact NE-OG1 2.88Å; R403-T407 VanDerWaalsContact NE-OG1 3.08Å; R403-T407 PolarHBondContact NH2-OG1 2.03Å; D405-T407 WeakPolarHBondContact OD1-CB 3.44Å; D405-T407 PolarHBondContact OD1-N 3.16Å; D405-T407 PolarHBondContact OD1-OG1 2.84Å | ||
| 408 | E | 89.4 | Confident | 91 | Very high | 126 Ų | 126 | 62.1 Ų | 62.1 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.5 | -175.1 | -70.8 | 177 | -172.9 | 0 | 0 | 110.9 | I401 K402 | I401-E408 WeakPolarHBondContact O-CA 3.3Å; K402-E408 HydrophobicContact CB-CG 3.97Å; K402-E408 HydrophobicContact CD-CG 4.04Å; K402-E408 VanDerWaalsContact CD-OE1 3.31Å; K402-E408 WeakPolarHBondContact CD-OE1 3.3Å; K402-E408 WeakPolarHBondContact CE-OE1 3.28Å; K402-E408 HydrophobicContact CG-CG 3.78Å; K402-E408 IonicContact NZ-OE1 3.41Å; K402-E408 PolarHBondContact NZ-OE1 2.84Å |
| 409 | K | 89.1 | Confident | 90.9 | Very high | 104 Ų | 104 | 67.6 Ų | 67.6 | 45% | 0.452 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.1 | 171.8 | -171.6 | -175 | 179.3 | -164.6 | 0 | 109 | I401 Q419 F420 | I401-K409 PolarHBondContact N-O 3.32Å; I401-K409 PolarHBondContact O-N 2.03Å; K409-Q419 PolarHBondContact NZ-O 3.49Å; K409-Q419 VanDerWaalsContact NZ-O 3.09Å; K409-F420 HydrophobicContact CD-CB 4.07Å |
| 410 | S | 92.4 | Very high | 90.7 | Very high | 74 Ų | 74 | 67.9 Ų | 67.9 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.8 | 172.6 | 57.2 | 0 | 0 | 0 | 0 | 112 | A399 | A399-S410 CarbonylContact O-C 3.42Å; A399-S410 VanDerWaalsContact O-CA 3.27Å; A399-S410 WeakPolarHBondContact O-CA 3.42Å |
| 411 | C | 92.1 | Very high | 90.5 | Very high | 23 Ų | 23 | 71.1 Ų | 71.1 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.1 | 167.4 | -76.7 | 0 | 0 | 0 | 0 | 108.6 | V398 A399 C418 | V398-C411 CarbonylContact C-O 3.59Å; V398-C411 VanDerWaalsContact CA-O 3.26Å; V398-C411 WeakPolarHBondContact CA-O 3.06Å; A399-C411 HydrophobicContact CB-CB 4.44Å; A399-C411 PolarHBondContact N-O 2.9Å; A399-C411 PolarHBondContact O-N 2.97Å; C411-C418 HydrophobicContact CB-CB 3.49Å; C411-C418 VanDerWaalsContact CB-CB 3.49Å; C411-C418 WeakPolarHBondContact CB-SG 3.43Å; C411-C418 WeakPolarHBondContact SG-CB 3.37Å; C411-C418 CovalentContact SG-SG 2.03Å; C411-C418 PolarHBondContact SG-SG 3.25Å |
| 412 | N | 94.5 | Very high | 90.3 | Very high | 111 Ų | 111 | 71 Ų | 71 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.9 | 160.9 | -175.7 | -27.7 | 0 | 0 | 0 | 107.9 | Y396 Y397 V398 | Y396-N412 VanDerWaalsContact CD2-OD1 3.22Å; Y396-N412 WeakPolarHBondContact CD2-OD1 3.32Å; Y397-N412 WeakPolarHBondContact O-CA 3.49Å; V398-N412 HydrophobicContact CG2-CB 4.43Å |
| 413 | T | 93.3 | Very high | 90.1 | Very high | 26 Ų | 26 | 69.7 Ų | 69.7 | 16% | 0.16 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 143.5 | -171.7 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | W388 Y397 K415 | W388-T413 HydrophobicContact CH2-CG2 3.9Å; W388-T413 HydrophobicContact CZ2-CG2 3.89Å; Y397-T413 PolarHBondContact N-O 2.81Å; Y397-T413 PolarHBondContact O-N 3.2Å; T413-K415 VanDerWaalsContact C-N 3.33Å; T413-K415 VanDerWaalsContact CG2-O 3.3Å; T413-K415 WeakPolarHBondContact CG2-O 3.26Å; T413-K415 PolarHBondContact OG1-N 2.85Å; T413-K415 PolarHBondContact OG1-O 3.39Å |
| 414 | T | 93 | Very high | 90 | Very high | 111 Ų | 111 | 69.8 Ų | 69.8 | 68% | 0.681 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -84.6 | -10.8 | 169.3 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 415 | K | 92.4 | Very high | 90 | Very high | 143 Ų | 143 | 66.3 Ų | 66.3 | 62% | 0.622 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -89.9 | 155.8 | 176 | -58 | 179.5 | -179.2 | 179.8 | 0 | 110.3 | W388 T413 T417 | W388-K415 WeakPolarHBondContact CZ2-O 3.33Å; T413-K415 VanDerWaalsContact C-N 3.33Å; T413-K415 VanDerWaalsContact CG2-O 3.3Å; T413-K415 WeakPolarHBondContact CG2-O 3.26Å; T413-K415 PolarHBondContact OG1-N 2.85Å; T413-K415 PolarHBondContact OG1-O 3.39Å; K415-T417 PolarHBondContact O-N 3.26Å |
| 416 | T | 92.5 | Very high | 90.2 | Very high | 42 Ų | 42 | 65.6 Ų | 65.6 | 26% | 0.258 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -74.6 | 21.8 | 174.8 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | V387 W388 E390 Y397 | V387-T416 WeakPolarHBondContact CA-O 3.26Å; W388-T416 PolarHBondContact N-O 2.83Å; W388-T416 VanDerWaalsContact N-O 3.1Å; W388-T416 VanDerWaalsContact O-CB 3.32Å; W388-T416 WeakPolarHBondContact O-CB 3.46Å; E390-T416 HydrophobicContact CB-CG2 3.97Å; E390-T416 HydrophobicContact CG-CG2 4.44Å; Y397-T416 HydrophobicContact CE2-CG2 4.45Å |
| 417 | T | 93.1 | Very high | 90.5 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 34% | 0.337 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 141.5 | -176.2 | 61.4 | 0 | 0 | 0 | 0 | 113 | V386 V387 K415 | V386-T417 CarbonylContact O-C 3.6Å; V386-T417 WeakPolarHBondContact O-CA 3.45Å; V387-T417 HydrophobicContact CB-CG2 4.39Å; V387-T417 HydrophobicContact CG1-CG2 4.02Å; V387-T417 HydrophobicContact CG2-CG2 3.96Å; K415-T417 PolarHBondContact O-N 3.26Å |
| 418 | C | 93 | Very high | 90.6 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 119.8 | 173.2 | 162.2 | 0 | 0 | 0 | 0 | 110.5 | S385 V386 W388 A399 I401 C411 | S385-C418 CarbonylContact C-O 3.58Å; S385-C418 VanDerWaalsContact CA-O 3.3Å; S385-C418 WeakPolarHBondContact CA-O 3.45Å; V386-C418 PolarHBondContact N-O 3.22Å; V386-C418 PolarHBondContact O-N 2.87Å; W388-C418 HydrophobicContact CH2-CB 3.83Å; W388-C418 HydrophobicContact CZ3-CB 3.89Å; A399-C418 HydrophobicContact CB-CB 4.11Å; I401-C418 WeakPolarHBondContact CD1-SG 3.3Å; C411-C418 HydrophobicContact CB-CB 3.49Å; C411-C418 VanDerWaalsContact CB-CB 3.49Å; C411-C418 WeakPolarHBondContact CB-SG 3.43Å; C411-C418 WeakPolarHBondContact SG-CB 3.37Å; C411-C418 CovalentContact SG-SG 2.03Å; C411-C418 PolarHBondContact SG-SG 3.25Å |
| 419 | Q | 91.3 | Very high | 90.7 | Very high | 132 Ų | 132 | 60 Ų | 60 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 134.9 | 178.6 | -73.7 | 176.7 | -27 | 0 | 0 | 112.4 | K409 | K409-Q419 PolarHBondContact NZ-O 3.49Å; K409-Q419 VanDerWaalsContact NZ-O 3.09Å |
| 420 | F | 90.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 150.9 | 177.2 | 72.8 | -76.9 | 0 | 0 | 0 | 112.2 | V376 C384 V386 I401 K409 C422 Y428 | V376-F420 HydrophobicContact CG1-CE1 4.03Å; V376-F420 HydrophobicContact CG1-CZ 4.14Å; C384-F420 HydrophobicContact CB-CD1 4.11Å; C384-F420 HydrophobicContact CB-CE1 3.52Å; C384-F420 HydrophobicContact CB-CE2 4.05Å; C384-F420 HydrophobicContact CB-CZ 3.49Å; C384-F420 VanDerWaalsContact CB-CZ 3.49Å; C384-F420 PolarHBondContact N-O 3Å; C384-F420 WeakPolarHBondContact O-CD1 3.38Å; C384-F420 PolarHBondContact O-N 2.82Å; V386-F420 HydrophobicContact CG2-CD1 3.9Å; V386-F420 HydrophobicContact CG2-CE1 3.5Å; V386-F420 HydrophobicContact CG2-CZ 4.45Å; I401-F420 HydrophobicContact CG1-CD1 4.41Å; I401-F420 HydrophobicContact CG2-CD2 3.98Å; I401-F420 HydrophobicContact CG2-CE1 4.49Å; I401-F420 HydrophobicContact CG2-CE2 3.88Å; I401-F420 HydrophobicContact CG2-CG 4.32Å; I401-F420 HydrophobicContact CG2-CZ 4.16Å; K409-F420 HydrophobicContact CD-CB 4.07Å; F420-C422 HydrophobicContact CD2-CB 4.2Å; F420-C422 HydrophobicContact CE2-CB 3.69Å; F420-C422 HydrophobicContact CZ-CB 4.3Å; F420-C422 PolarHBondContact O-N 2.04Å; F420-Y428 HydrophobicContact CD2-CD1 4.31Å; F420-Y428 HydrophobicContact CD2-CE1 4.32Å; F420-Y428 AromaticContact CE2-CD1 3.58Å; F420-Y428 HydrophobicContact CE2-CD1 3.58Å; F420-Y428 HydrophobicContact CE2-CD2 4.33Å; F420-Y428 AromaticContact CE2-CE1 3.82Å; F420-Y428 HydrophobicContact CE2-CE1 3.82Å; F420-Y428 AromaticContact CE2-CG 3.86Å; F420-Y428 HydrophobicContact CE2-CG 3.86Å; F420-Y428 HydrophobicContact CZ-CD1 4.4Å; F420-Y428 HydrophobicContact CZ-CG 4.3Å |
| 421 | F | 88.8 | Confident | 90.8 | Very high | 149 Ų | 149 | 52.6 Ų | 52.6 | 65% | 0.654 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 122.5 | 173.6 | -177 | -102 | 0 | 0 | 0 | 109 | G382 M423 | G382-F421 CarbonylContact O-C 3.57Å; G382-F421 WeakPolarHBondContact O-CA 3.45Å; G382-F421 WeakPolarHBondContact O-CD2 3.34Å; G382-F421 WeakPolarHBondContact O-CE2 3.2Å; F421-M423 HydrophobicContact CD1-CG 4.19Å; F421-M423 HydrophobicContact CE1-CG 3.82Å |
| 422 | C | 88.3 | Confident | 90.9 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | trans | -113.9 | 111.5 | -176.2 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | G382 C384 F420 Y428 T451 | G382-C422 VanDerWaalsContact C-SG 3.57Å; G382-C422 VanDerWaalsContact CA-O 3.31Å; G382-C422 WeakPolarHBondContact CA-O 3.13Å; G382-C422 PolarHBondContact O-N 2.83Å; C384-C422 HydrophobicContact CB-CB 3.66Å; C384-C422 WeakPolarHBondContact CB-SG 3.21Å; C384-C422 PolarHBondContact N-SG 2.88Å; C384-C422 WeakPolarHBondContact SG-CB 3.32Å; C384-C422 CovalentContact SG-SG 2.03Å; C384-C422 PolarHBondContact SG-SG 2.83Å; F420-C422 HydrophobicContact CD2-CB 4.2Å; F420-C422 HydrophobicContact CE2-CB 3.69Å; F420-C422 HydrophobicContact CZ-CB 4.3Å; F420-C422 PolarHBondContact O-N 2.04Å; C422-Y428 HydrophobicContact CB-CE2 4.11Å; C422-T451 HydrophobicContact CB-CG2 4.07Å | ||
| 423 | M | 87.4 | Confident | 90.8 | Very high | 59 Ų | 59 | 48.6 Ų | 48.6 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | trans | -74.1 | 136 | 172.6 | -50.6 | -173 | -37 | 0 | 0 | 109.8 | R403 F421 Y426 Y428 T451 | R403-M423 VanDerWaalsContact NH1-CE 3.33Å; F421-M423 HydrophobicContact CD1-CG 4.19Å; F421-M423 HydrophobicContact CE1-CG 3.82Å; M423-Y426 HydrophobicContact CB-CD2 3.91Å; M423-Y426 HydrophobicContact CB-CE2 4.23Å; M423-Y426 HydrophobicContact CE-CD1 4.44Å; M423-Y426 HydrophobicContact CE-CD2 3.93Å; M423-Y426 HydrophobicContact CE-CE1 3.98Å; M423-Y426 HydrophobicContact CE-CE2 3.46Å; M423-Y426 VanDerWaalsContact CE-CE2 3.46Å; M423-Y426 HydrophobicContact CE-CG 4.43Å; M423-Y426 VanDerWaalsContact CE-CZ 3.48Å; M423-Y428 PolarHBondContact N-OH 3.38Å; M423-Y428 PolarHBondContact O-OH 2.93Å; M423-Y428 VanDerWaalsContact O-OH 3.13Å; M423-T451 PolarHBondContact O-OG1 2.98Å | ||
| 424 | C | 87.5 | Confident | 90.8 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 32% | 0.324 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 149.4 | 176.7 | 44.9 | 0 | 0 | 0 | 0 | 112.9 | Y426 T451 I452 C454 | C424-Y426 VanDerWaalsContact C-N 3.27Å; C424-Y426 VanDerWaalsContact O-CD2 3.28Å; C424-Y426 WeakPolarHBondContact O-CD2 3.28Å; C424-Y426 PolarHBondContact O-N 2.8Å; C424-T451 WeakPolarHBondContact CA-OG1 3.4Å; C424-I452 CarbonylContact C-O 3.57Å; C424-I452 WeakPolarHBondContact CA-O 3.4Å; C424-I452 WeakPolarHBondContact CB-O 3.18Å; C424-C454 HydrophobicContact CB-CB 4.02Å; C424-C454 WeakPolarHBondContact CB-SG 3Å; C424-C454 PolarHBondContact O-SG 2.75Å; C424-C454 WeakPolarHBondContact SG-CA 3.47Å; C424-C454 WeakPolarHBondContact SG-CB 2.94Å; C424-C454 CovalentContact SG-SG 2.04Å; C424-C454 PolarHBondContact SG-SG 3.21Å |
| 425 | G | 86.3 | Confident | 90.8 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 10.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T451 I452 K477 | G425-T451 PolarHBondContact N-OG1 2.92Å; G425-T451 VanDerWaalsContact N-OG1 3.11Å; G425-I452 PolarHBondContact N-O 3.26Å; G425-K477 WeakPolarHBondContact CA-O 3.37Å; G425-K477 CarbonylContact O-C 3.59Å; G425-K477 VanDerWaalsContact O-CG 3.31Å; G425-K477 WeakPolarHBondContact O-CG 3.34Å |
| 426 | Y | 89.1 | Confident | 90.7 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 22% | 0.22 | 19% | 0.194 | C | C | . | . | trans | -111.3 | 147.1 | 176.6 | -74.8 | -103.6 | 0 | 0 | 0 | 111.8 | R403 D404 D405 M423 C424 Y428 T451 K477 | R403-Y426 HydrophobicContact CG-CD1 3.49Å; R403-Y426 VanDerWaalsContact CG-CD1 3.49Å; R403-Y426 HydrophobicContact CG-CE1 4.33Å; R403-Y426 HydrophobicContact CG-CG 4.1Å; D404-Y426 WeakPolarHBondContact OD1-CD1 3.22Å; D405-Y426 HydrophobicContact CB-CE1 4.29Å; M423-Y426 HydrophobicContact CB-CD2 3.91Å; M423-Y426 HydrophobicContact CB-CE2 4.23Å; M423-Y426 HydrophobicContact CE-CD1 4.44Å; M423-Y426 HydrophobicContact CE-CD2 3.93Å; M423-Y426 HydrophobicContact CE-CE1 3.98Å; M423-Y426 HydrophobicContact CE-CE2 3.46Å; M423-Y426 VanDerWaalsContact CE-CE2 3.46Å; M423-Y426 HydrophobicContact CE-CG 4.43Å; M423-Y426 VanDerWaalsContact CE-CZ 3.48Å; C424-Y426 VanDerWaalsContact C-N 3.27Å; C424-Y426 VanDerWaalsContact O-CD2 3.28Å; C424-Y426 WeakPolarHBondContact O-CD2 3.28Å; C424-Y426 PolarHBondContact O-N 2.8Å; Y426-Y428 WeakPolarHBondContact O-CE2 3.36Å; Y426-T451 PolarHBondContact N-OG1 3.48Å; Y426-T451 PolarHBondContact O-N 3.15Å; Y426-T451 PolarHBondContact O-OG1 2.84Å; Y426-K477 HydrophobicContact CD1-CD 4.24Å; Y426-K477 HydrophobicContact CD2-CD 4.37Å; Y426-K477 HydrophobicContact CE1-CD 4.04Å; Y426-K477 HydrophobicContact CE2-CD 4.13Å; Y426-K477 HydrophobicContact CG-CD 4.4Å | ||
| 427 | T | 88.9 | Confident | 90.5 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 23% | 0.233 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.3 | 168.9 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | D404 N448 Y449 T450 | D404-T427 PolarHBondContact N-O 2.98Å; T427-N448 HydrophobicContact CG2-CB 4.22Å; T427-Y449 WeakPolarHBondContact CA-O 3.47Å; T427-T450 PolarHBondContact OG1-OG1 2.97Å |
| 428 | Y | 90 | Very high | 90.1 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.1 | 177.3 | -61.6 | -92.5 | 0 | 0 | 0 | 109.4 | I401 K402 R403 F420 C422 M423 Y426 N448 Y449 T451 | I401-Y428 HydrophobicContact CG2-CD1 3.86Å; I401-Y428 HydrophobicContact CG2-CG 4.47Å; K402-Y428 CarbonylContact O-C 3.58Å; R403-Y428 HydrophobicContact CB-CD1 4.03Å; R403-Y428 HydrophobicContact CB-CE1 3.91Å; R403-Y428 WeakPolarHBondContact CD-OH 3.32Å; R403-Y428 HydrophobicContact CG-CD1 4.16Å; R403-Y428 HydrophobicContact CG-CE1 3.73Å; F420-Y428 HydrophobicContact CD2-CD1 4.31Å; F420-Y428 HydrophobicContact CD2-CE1 4.32Å; F420-Y428 AromaticContact CE2-CD1 3.58Å; F420-Y428 HydrophobicContact CE2-CD1 3.58Å; F420-Y428 HydrophobicContact CE2-CD2 4.33Å; F420-Y428 AromaticContact CE2-CE1 3.82Å; F420-Y428 HydrophobicContact CE2-CE1 3.82Å; F420-Y428 AromaticContact CE2-CG 3.86Å; F420-Y428 HydrophobicContact CE2-CG 3.86Å; F420-Y428 HydrophobicContact CZ-CD1 4.4Å; F420-Y428 HydrophobicContact CZ-CG 4.3Å; C422-Y428 HydrophobicContact CB-CE2 4.11Å; M423-Y428 PolarHBondContact N-OH 3.38Å; M423-Y428 PolarHBondContact O-OH 2.93Å; M423-Y428 VanDerWaalsContact O-OH 3.13Å; Y426-Y428 WeakPolarHBondContact O-CE2 3.36Å; Y428-N448 CarbonylContact O-C 3.54Å; Y428-N448 WeakPolarHBondContact O-CA 3.24Å; Y428-Y449 PolarHBondContact N-O 3.5Å; Y428-Y449 PolarHBondContact O-N 3.37Å; Y428-T451 HydrophobicContact CD2-CG2 4.13Å; Y428-T451 HydrophobicContact CE2-CG2 3.76Å |
| 429 | L | 91.4 | Very high | 89.8 | Confident | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.366 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.5 | 171.7 | -65.2 | 162.3 | 0 | 0 | 0 | 107.6 | K402 V446 R447 N448 | K402-L429 HydrophobicContact CB-CB 4.34Å; K402-L429 PolarHBondContact N-O 3.11Å; K402-L429 PolarHBondContact O-N 3.03Å; L429-V446 HydrophobicContact CB-CG1 4.13Å; L429-V446 HydrophobicContact CD2-CG1 3.89Å; L429-R447 CarbonylContact C-O 3.55Å; L429-R447 WeakPolarHBondContact CA-O 3.43Å; L429-N448 HydrophobicContact CD2-CB 4.03Å |
| 430 | T | 91.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.1 | -178.9 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | V376 V386 F400 I401 V446 R447 | V376-T430 HydrophobicContact CG2-CG2 4.21Å; V386-T430 HydrophobicContact CG1-CG2 4.2Å; V386-T430 HydrophobicContact CG2-CG2 3.65Å; F400-T430 WeakPolarHBondContact O-CA 3.37Å; I401-T430 HydrophobicContact CG1-CG2 4.04Å; I401-T430 HydrophobicContact CG2-CG2 4.22Å; T430-V446 WeakPolarHBondContact O-CA 3.43Å; T430-R447 PolarHBondContact N-O 2.81Å; T430-R447 PolarHBondContact O-N 3.28Å; T430-R447 PolarHBondContact OG1-O 2.82Å |
| 431 | S | 92.4 | Very high | 89.6 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 133.9 | 172.2 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | A399 F400 | A399-S431 CarbonylContact C-O 3.55Å; A399-S431 WeakPolarHBondContact CA-O 3.48Å; F400-S431 PolarHBondContact N-O 2.86Å; F400-S431 PolarHBondContact O-N 2.88Å |
| 432 | V | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.2 | -174.6 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | P371 I374 V386 W388 Y397 A399 P434 A444 | P371-V432 HydrophobicContact CG-CB 4.31Å; P371-V432 HydrophobicContact CG-CG1 4.09Å; I374-V432 HydrophobicContact CD1-CB 4.02Å; I374-V432 HydrophobicContact CD1-CG2 3.99Å; I374-V432 HydrophobicContact CG1-CG2 4.35Å; I374-V432 HydrophobicContact CG2-CG2 4.09Å; V386-V432 HydrophobicContact CG1-CG2 4.5Å; W388-V432 HydrophobicContact CD2-CB 4.42Å; W388-V432 HydrophobicContact CD2-CG1 3.74Å; W388-V432 HydrophobicContact CD2-CG2 3.89Å; W388-V432 HydrophobicContact CE3-CG1 4.24Å; W388-V432 HydrophobicContact CE3-CG2 3.63Å; W388-V432 HydrophobicContact CG-CG1 3.99Å; W388-V432 HydrophobicContact CG-CG2 4.33Å; W388-V432 HydrophobicContact CZ2-CG1 4.16Å; W388-V432 HydrophobicContact CZ3-CG2 4.1Å; Y397-V432 HydrophobicContact CD1-CG1 3.89Å; Y397-V432 HydrophobicContact CG-CG1 4.46Å; A399-V432 HydrophobicContact CB-CG2 4.12Å; V432-P434 WeakPolarHBondContact O-CD 3.14Å; V432-A444 WeakPolarHBondContact O-CB 3.38Å |
| 433 | F | 93 | Very high | 88.7 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 109 | 177 | -71.7 | -91.9 | 0 | 0 | 0 | 109.6 | Y397 V398 F400 Y435 A444 | Y397-F433 CarbonylContact C-O 3.6Å; Y397-F433 WeakPolarHBondContact CA-O 3.12Å; V398-F433 PolarHBondContact N-O 3.05Å; V398-F433 PolarHBondContact O-N 2.84Å; F400-F433 AromaticContact CD2-CD2 3.75Å; F400-F433 HydrophobicContact CD2-CD2 3.75Å; F400-F433 AromaticContact CD2-CE2 4Å; F400-F433 HydrophobicContact CD2-CE2 4Å; F400-F433 AromaticContact CE2-CD2 3.9Å; F400-F433 HydrophobicContact CE2-CD2 3.9Å; F400-F433 HydrophobicContact CE2-CE2 4.28Å; F433-Y435 HydrophobicContact CB-CD2 4.48Å; F433-Y435 HydrophobicContact CB-CE2 3.79Å; F433-Y435 VanDerWaalsContact O-CD2 3.26Å; F433-Y435 WeakPolarHBondContact O-CD2 3.5Å; F433-Y435 WeakPolarHBondContact O-CE2 3.26Å; F433-A444 HydrophobicContact CD1-CB 3.89Å; F433-A444 HydrophobicContact CD2-CB 3.9Å; F433-A444 HydrophobicContact CE1-CB 3.62Å; F433-A444 HydrophobicContact CE2-CB 3.65Å; F433-A444 HydrophobicContact CG-CB 4.03Å; F433-A444 HydrophobicContact CZ-CB 3.5Å |
| 434 | P | 93.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 151.9 | 167.6 | 25.3 | -29.4 | 0 | 0 | 0 | 111.5 | P368 C369 V394 Y397 V432 T440 S441 | P368-P434 HydrophobicContact CB-CB 3.85Å; P368-P434 HydrophobicContact CB-CG 3.86Å; P368-P434 HydrophobicContact CG-CB 4.08Å; P368-P434 HydrophobicContact CG-CG 4.39Å; C369-P434 VanDerWaalsContact O-CG 3.24Å; C369-P434 WeakPolarHBondContact O-CG 3.4Å; V394-P434 HydrophobicContact CB-CB 4.41Å; V394-P434 HydrophobicContact CG1-CB 3.85Å; V394-P434 HydrophobicContact CG2-CB 3.56Å; Y397-P434 HydrophobicContact CD1-CB 3.83Å; Y397-P434 HydrophobicContact CE1-CB 3.84Å; V432-P434 WeakPolarHBondContact O-CD 3.14Å; P434-T440 VanDerWaalsContact O-CA 3.3Å; P434-T440 WeakPolarHBondContact O-CA 3.4Å; P434-T440 PolarHBondContact O-OG1 2.89Å; P434-S441 PolarHBondContact O-N 3.33Å |
| 435 | Y | 92.1 | Very high | 88.5 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.5 | 180 | -76.7 | -106 | 0 | 0 | 0 | 111.5 | E395 Y396 V398 F433 G439 T440 | E395-Y435 PolarHBondContact N-O 2.82Å; Y396-Y435 HydrophobicContact CD2-CD2 4.32Å; Y396-Y435 HydrophobicContact CD2-CG 4.27Å; Y396-Y435 HydrophobicContact CE1-CG 4.28Å; Y396-Y435 HydrophobicContact CE2-CD1 4.06Å; Y396-Y435 AromaticContact CE2-CD2 3.85Å; Y396-Y435 HydrophobicContact CE2-CD2 3.85Å; Y396-Y435 AromaticContact CE2-CG 3.58Å; Y396-Y435 HydrophobicContact CE2-CG 3.58Å; Y396-Y435 VanDerWaalsContact CZ-CB 3.42Å; Y396-Y435 AromaticContact CZ-CD1 3.78Å; Y396-Y435 AromaticContact CZ-CG 3.59Å; Y396-Y435 PolarHBondContact N-O 2.98Å; Y396-Y435 PolarHBondContact O-N 3.34Å; Y396-Y435 WeakPolarHBondContact OH-CD1 3.32Å; V398-Y435 HydrophobicContact CB-CD2 4.36Å; V398-Y435 HydrophobicContact CB-CE2 3.75Å; V398-Y435 HydrophobicContact CG2-CD2 3.82Å; V398-Y435 HydrophobicContact CG2-CE2 3.45Å; V398-Y435 VanDerWaalsContact CG2-CE2 3.45Å; F433-Y435 HydrophobicContact CB-CD2 4.48Å; F433-Y435 HydrophobicContact CB-CE2 3.79Å; F433-Y435 VanDerWaalsContact O-CD2 3.26Å; F433-Y435 WeakPolarHBondContact O-CD2 3.5Å; F433-Y435 WeakPolarHBondContact O-CE2 3.26Å; Y435-G439 CarbonylContact C-O 3.55Å; Y435-G439 WeakPolarHBondContact CA-O 3.48Å; Y435-T440 HydrophobicContact CE1-CG2 4.23Å; Y435-T440 VanDerWaalsContact CE2-OG1 3.3Å; Y435-T440 WeakPolarHBondContact CE2-OG1 3.38Å |
| 436 | N | 91.3 | Very high | 88.5 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | trans | -145.6 | -170.5 | 168.7 | 71.8 | 8.1 | 0 | 0 | 0 | 110.3 | I365 T366 P368 L393 A438 G439 | I365-N436 HydrophobicContact CD1-CB 4.4Å; T366-N436 PolarHBondContact O-ND2 3.04Å; T366-N436 VanDerWaalsContact O-ND2 3.13Å; P368-N436 HydrophobicContact CG-CB 4.07Å; L393-N436 WeakPolarHBondContact O-CB 3.43Å; L393-N436 PolarHBondContact O-ND2 2.94Å; N436-A438 PolarHBondContact O-N 3.32Å; N436-A438 WeakPolarHBondContact OD1-CA 3.41Å; N436-A438 VanDerWaalsContact OD1-CB 3.28Å; N436-A438 WeakPolarHBondContact OD1-CB 3.18Å; N436-A438 PolarHBondContact OD1-N 3.38Å; N436-G439 PolarHBondContact N-O 2.89Å; N436-G439 WeakPolarHBondContact O-CA 3.25Å; N436-G439 PolarHBondContact O-N 3.38Å; N436-G439 PolarHBondContact OD1-N 2.92Å; N436-G439 VanDerWaalsContact OD1-N 3.17Å; N436-G439 PolarHBondContact OD1-O 2.88Å | ||
| 437 | Q | 86.8 | Confident | 88.4 | Confident | 160 Ų | 160 | 46.8 Ų | 46.8 | 75% | 0.748 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -64.3 | -26 | -177.9 | -52.8 | 179.8 | -1.4 | 0 | 0 | 113.9 | I365 E395 | I365-Q437 HydrophobicContact CD1-CB 4.14Å; E395-Q437 WeakPolarHBondContact OE1-CG 3.35Å; E395-Q437 PolarHBondContact OE1-NE2 3Å |
| 438 | A | 85.1 | Confident | 88.5 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -72.8 | -35.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L294 I365 Y367 N436 | L294-A438 HydrophobicContact CD1-CB 3.28Å; I365-A438 HydrophobicContact CG1-CB 4.02Å; Y367-A438 HydrophobicContact CD1-CB 4.19Å; Y367-A438 WeakPolarHBondContact CE1-O 3.38Å; N436-A438 PolarHBondContact O-N 3.32Å; N436-A438 WeakPolarHBondContact OD1-CA 3.41Å; N436-A438 VanDerWaalsContact OD1-CB 3.28Å; N436-A438 WeakPolarHBondContact OD1-CB 3.18Å; N436-A438 PolarHBondContact OD1-N 3.38Å |
| 439 | G | 86.4 | Confident | 88.4 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 24% | 0.237 | 27% | 0.267 | C | S | . | . | trans | 143.7 | -142.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y435 N436 | Y435-G439 CarbonylContact C-O 3.55Å; Y435-G439 WeakPolarHBondContact CA-O 3.48Å; N436-G439 PolarHBondContact N-O 2.89Å; N436-G439 WeakPolarHBondContact O-CA 3.25Å; N436-G439 PolarHBondContact O-N 3.38Å; N436-G439 PolarHBondContact OD1-N 2.92Å; N436-G439 VanDerWaalsContact OD1-N 3.17Å; N436-G439 PolarHBondContact OD1-O 2.88Å | ||
| 440 | T | 89.3 | Confident | 88.2 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -108.8 | 162.9 | 179 | -166.1 | 0 | 0 | 0 | 0 | 112.4 | Y367 P434 Y435 | Y367-T440 WeakPolarHBondContact CD1-O 3.33Å; P434-T440 VanDerWaalsContact O-CA 3.3Å; P434-T440 WeakPolarHBondContact O-CA 3.4Å; P434-T440 PolarHBondContact O-OG1 2.89Å; Y435-T440 HydrophobicContact CE1-CG2 4.23Å; Y435-T440 VanDerWaalsContact CE2-OG1 3.3Å; Y435-T440 WeakPolarHBondContact CE2-OG1 3.38Å |
| 441 | S | 88.1 | Confident | 88 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | trans | -59 | 139.7 | 172.8 | 65.7 | 0 | 0 | 0 | 0 | 111 | P368 P434 F443 | P368-S441 WeakPolarHBondContact O-CB 3.06Å; P434-S441 PolarHBondContact O-N 3.33Å; S441-F443 VanDerWaalsContact CB-O 3.32Å; S441-F443 WeakPolarHBondContact CB-O 3.06Å; S441-F443 PolarHBondContact O-N 3.03Å; S441-F443 PolarHBondContact OG-O 3.17Å | ||
| 442 | L | 79.4 | Confident | 87.8 | Confident | 93 Ų | 93 | 50.1 Ų | 50.1 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -63.5 | -25.3 | -177.7 | -68.4 | 174.2 | 0 | 0 | 0 | 113.2 | P296 L300 Y367 | P296-L442 HydrophobicContact CB-CD2 4.41Å; L300-L442 HydrophobicContact CB-CD1 4.48Å; L300-L442 HydrophobicContact CD1-CD1 4.34Å; Y367-L442 HydrophobicContact CD2-CD2 4.27Å; Y367-L442 HydrophobicContact CD2-CG 4.2Å; Y367-L442 HydrophobicContact CE2-CD2 4.12Å |
| 443 | F | 79.9 | Confident | 87.6 | Confident | 130 Ų | 130 | 50.1 Ų | 50.1 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | trans | -145 | 164.3 | 175.2 | 54 | -86.2 | 0 | 0 | 0 | 108.9 | P370 S441 | P370-F443 HydrophobicContact CG-CD2 4.11Å; P370-F443 HydrophobicContact CG-CE2 3.74Å; P370-F443 HydrophobicContact CG-CZ 4.39Å; S441-F443 VanDerWaalsContact CB-O 3.32Å; S441-F443 WeakPolarHBondContact CB-O 3.06Å; S441-F443 PolarHBondContact O-N 3.03Å; S441-F443 PolarHBondContact OG-O 3.17Å | ||
| 444 | A | 84.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | trans | -134.2 | 141.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | V432 F433 | V432-A444 WeakPolarHBondContact O-CB 3.38Å; F433-A444 HydrophobicContact CD1-CB 3.89Å; F433-A444 HydrophobicContact CD2-CB 3.9Å; F433-A444 HydrophobicContact CE1-CB 3.62Å; F433-A444 HydrophobicContact CE2-CB 3.65Å; F433-A444 HydrophobicContact CG-CB 4.03Å; F433-A444 HydrophobicContact CZ-CB 3.5Å | ||
| 445 | D | 84.8 | Confident | 87.1 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | trans | -67.8 | 135.4 | 172.7 | -93.2 | 0.7 | 0 | 0 | 0 | 110.3 | R447 | D445-R447 IonicContact OD2-CZ 3.87Å; D445-R447 IonicContact OD2-NH1 2.62Å; D445-R447 PolarHBondContact OD2-NH1 3.1Å; D445-R447 IonicContact OD2-NH2 3.33Å; D445-R447 PolarHBondContact OD2-NH2 2.89Å | ||
| 446 | V | 87.4 | Confident | 87 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 52% | 0.515 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122 | 173.9 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | L429 T430 | L429-V446 HydrophobicContact CB-CG1 4.13Å; L429-V446 HydrophobicContact CD2-CG1 3.89Å; T430-V446 WeakPolarHBondContact O-CA 3.43Å |
| 447 | R | 87.3 | Confident | 86.4 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 34% | 0.34 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.8 | 170.7 | -62.9 | -62.8 | -176.8 | -111.5 | -10.2 | 109.6 | E372 I374 L429 T430 D445 | E372-R447 PolarHBondContact O-NH2 2.88Å; E372-R447 VanDerWaalsContact O-NH2 3.1Å; I374-R447 HydrophobicContact CB-CG 4.03Å; I374-R447 HydrophobicContact CG2-CG 4.48Å; L429-R447 CarbonylContact C-O 3.55Å; L429-R447 WeakPolarHBondContact CA-O 3.43Å; T430-R447 PolarHBondContact N-O 2.81Å; T430-R447 PolarHBondContact O-N 3.28Å; T430-R447 PolarHBondContact OG1-O 2.82Å; D445-R447 IonicContact OD2-CZ 3.87Å; D445-R447 IonicContact OD2-NH1 2.62Å; D445-R447 PolarHBondContact OD2-NH1 3.1Å; D445-R447 IonicContact OD2-NH2 3.33Å; D445-R447 PolarHBondContact OD2-NH2 2.89Å |
| 448 | N | 90.3 | Very high | 86.2 | Confident | 117 Ų | 117 | 54.1 Ų | 54.1 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.9 | 175.6 | 57.2 | -18.9 | 0 | 0 | 0 | 110.4 | T427 Y428 L429 | T427-N448 HydrophobicContact CG2-CB 4.22Å; Y428-N448 CarbonylContact O-C 3.54Å; Y428-N448 WeakPolarHBondContact O-CA 3.24Å; L429-N448 HydrophobicContact CD2-CB 4.03Å |
| 449 | Y | 87.4 | Confident | 86.3 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 107.9 | 177.1 | -171.1 | -93.4 | 0 | 0 | 0 | 110.2 | V376 T427 Y428 T451 R524 | V376-Y449 HydrophobicContact CB-CD1 4.18Å; V376-Y449 HydrophobicContact CB-CD2 3.49Å; V376-Y449 VanDerWaalsContact CB-CD2 3.49Å; V376-Y449 HydrophobicContact CB-CE1 4.29Å; V376-Y449 HydrophobicContact CB-CE2 3.54Å; V376-Y449 HydrophobicContact CB-CG 3.75Å; V376-Y449 HydrophobicContact CG1-CD1 3.98Å; V376-Y449 HydrophobicContact CG1-CD2 4.17Å; V376-Y449 HydrophobicContact CG1-CE1 3.9Å; V376-Y449 HydrophobicContact CG1-CE2 4Å; V376-Y449 HydrophobicContact CG1-CG 4.08Å; V376-Y449 HydrophobicContact CG2-CD2 4.07Å; V376-Y449 HydrophobicContact CG2-CG 4.05Å; V376-Y449 WeakPolarHBondContact O-CE2 3.38Å; V376-Y449 PolarHBondContact O-OH 3.4Å; T427-Y449 WeakPolarHBondContact CA-O 3.47Å; Y428-Y449 PolarHBondContact N-O 3.5Å; Y428-Y449 PolarHBondContact O-N 3.37Å; Y449-T451 HydrophobicContact CD1-CG2 4.33Å; Y449-T451 HydrophobicContact CE1-CG2 4.19Å; Y449-R524 VanDerWaalsContact CZ-NH1 3.31Å; Y449-R524 PolarHBondContact OH-NH1 3.34Å; Y449-R524 PolarHBondContact OH-NH2 2.85Å |
| 450 | T | 87.8 | Confident | 86.4 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.6 | 173.3 | -48.7 | 0 | 0 | 0 | 0 | 109.2 | T427 R524 | T427-T450 PolarHBondContact OG1-OG1 2.97Å; T450-R524 WeakPolarHBondContact O-CD 3.4Å; T450-R524 VanDerWaalsContact O-CG 3.26Å; T450-R524 WeakPolarHBondContact O-CG 3.34Å; T450-R524 PolarHBondContact O-NE 2.95Å; T450-R524 VanDerWaalsContact O-NE 3.15Å |
| 451 | T | 87.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 156.2 | 171.4 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | C422 M423 C424 G425 Y426 Y428 Y449 | C422-T451 HydrophobicContact CB-CG2 4.07Å; M423-T451 PolarHBondContact O-OG1 2.98Å; C424-T451 WeakPolarHBondContact CA-OG1 3.4Å; G425-T451 PolarHBondContact N-OG1 2.92Å; G425-T451 VanDerWaalsContact N-OG1 3.11Å; Y426-T451 PolarHBondContact N-OG1 3.48Å; Y426-T451 PolarHBondContact O-N 3.15Å; Y426-T451 PolarHBondContact O-OG1 2.84Å; Y428-T451 HydrophobicContact CD2-CG2 4.13Å; Y428-T451 HydrophobicContact CE2-CG2 3.76Å; Y449-T451 HydrophobicContact CD1-CG2 4.33Å; Y449-T451 HydrophobicContact CE1-CG2 4.19Å |
| 452 | I | 86.9 | Confident | 85.9 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 23% | 0.226 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 147.4 | 176.9 | -150.7 | 162.3 | 0 | 0 | 0 | 110.3 | C424 G425 R524 N527 | C424-I452 CarbonylContact C-O 3.57Å; C424-I452 WeakPolarHBondContact CA-O 3.4Å; C424-I452 WeakPolarHBondContact CB-O 3.18Å; G425-I452 PolarHBondContact N-O 3.26Å; I452-R524 HydrophobicContact CG1-CB 4.29Å; I452-N527 HydrophobicContact CD1-CB 4.35Å; I452-N527 HydrophobicContact CG1-CB 4.24Å; I452-N527 HydrophobicContact CG2-CB 4.47Å |
| 453 | P | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 146.3 | 179.9 | -26.8 | 37.3 | 0 | 0 | 0 | 113.3 | G478 A479 P519 N527 | P453-G478 WeakPolarHBondContact CG-O 3.42Å; P453-A479 HydrophobicContact CB-CB 4.07Å; P453-A479 HydrophobicContact CG-CB 4.28Å; P453-P519 HydrophobicContact CB-CB 3.96Å; P453-P519 HydrophobicContact CB-CG 4.22Å; P453-N527 WeakPolarHBondContact O-CB 3.46Å; P453-N527 PolarHBondContact O-ND2 3.34Å |
| 454 | C | 88.7 | Confident | 86 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 25% | 0.25 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 156.7 | 173.6 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | C424 V476 P519 | C424-C454 HydrophobicContact CB-CB 4.02Å; C424-C454 WeakPolarHBondContact CB-SG 3Å; C424-C454 PolarHBondContact O-SG 2.75Å; C424-C454 WeakPolarHBondContact SG-CA 3.47Å; C424-C454 WeakPolarHBondContact SG-CB 2.94Å; C424-C454 CovalentContact SG-SG 2.04Å; C424-C454 PolarHBondContact SG-SG 3.21Å; C454-V476 HydrophobicContact CB-CG1 3.79Å; C454-V476 WeakPolarHBondContact O-CG1 3.46Å; C454-P519 WeakPolarHBondContact O-CG 3.47Å |
| 455 | C | 88.1 | Confident | 86.1 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 27% | 0.27 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 140.6 | 167.8 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | C530 | C455-C530 VanDerWaalsContact CA-SG 3.51Å; C455-C530 HydrophobicContact CB-CB 3.81Å; C455-C530 WeakPolarHBondContact CB-SG 3.46Å; C455-C530 WeakPolarHBondContact SG-CA 3.42Å; C455-C530 WeakPolarHBondContact SG-CB 3.39Å; C455-C530 PolarHBondContact SG-N 2.7Å; C455-C530 CovalentContact SG-SG 2.04Å; C455-C530 PolarHBondContact SG-SG 2.71Å |
| 456 | P | 89.5 | Confident | 86.1 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 10% | 0.104 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 137.2 | 174.6 | 26.1 | -33 | 0 | 0 | 0 | 110.9 | V459 W473 V476 V517 | P456-V459 HydrophobicContact CB-CG2 4.01Å; P456-V459 HydrophobicContact CG-CG2 3.72Å; P456-W473 HydrophobicContact CB-CB 3.98Å; P456-W473 HydrophobicContact CB-CG 4.25Å; P456-V476 HydrophobicContact CB-CG2 3.96Å; P456-V517 HydrophobicContact CG-CB 4.06Å; P456-V517 HydrophobicContact CG-CG1 3.9Å |
| 457 | Q | 79.6 | Confident | 86.1 | Confident | 180 Ų | 180 | 57 Ų | 57 | 84% | 0.841 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -88.7 | -39.5 | -177.5 | -66.7 | -176 | -13.2 | 0 | 0 | 112.5 | V459 | Q457-V459 PolarHBondContact O-N 3.1Š|
| 458 | D | 82.8 | Confident | 86.1 | Confident | 91 Ų | 91 | 54.7 Ų | 54.7 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | trans | -96.8 | 47.2 | -173.1 | -48 | -62.5 | 0 | 0 | 0 | 113 | T460 S474 | D458-T460 PolarHBondContact O-N 2.78Å; D458-S474 WeakPolarHBondContact OD2-CB 3.41Å; D458-S474 PolarHBondContact OD2-OG 3.27Å | ||
| 459 | V | 87.3 | Confident | 86 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | trans | -69.5 | 116.1 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | P456 Q457 V471 W473 V517 | P456-V459 HydrophobicContact CB-CG2 4.01Å; P456-V459 HydrophobicContact CG-CG2 3.72Å; Q457-V459 PolarHBondContact O-N 3.1Å; V459-V471 HydrophobicContact CG1-CG1 3.94Å; V459-W473 HydrophobicContact CG2-CB 4.15Å; V459-V517 HydrophobicContact CG1-CG2 3.89Å; V459-V517 HydrophobicContact CG2-CB 4.41Å; V459-V517 HydrophobicContact CG2-CG2 4.27Å | ||
| 460 | T | 87.7 | Confident | 86.1 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 47% | 0.466 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154.5 | -176.1 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | D458 V471 M472 | D458-T460 PolarHBondContact O-N 2.78Å; T460-V471 WeakPolarHBondContact O-CA 3.21Å; T460-M472 PolarHBondContact N-O 3.32Å; T460-M472 PolarHBondContact O-N 2.92Å; T460-M472 PolarHBondContact OG1-O 2.89Å |
| 461 | V | 84.1 | Confident | 86.3 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 19% | 0.194 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.9 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | V464 L469 E470 Q535 | V461-V464 HydrophobicContact CG1-CG2 3.68Å; V461-L469 HydrophobicContact CG1-CD2 4.05Å; V461-E470 CarbonylContact C-O 3.41Å; V461-E470 WeakPolarHBondContact CA-O 3.35Å; V461-Q535 HydrophobicContact CB-CG 4.48Å; V461-Q535 HydrophobicContact CG1-CG 4.21Å; V461-Q535 HydrophobicContact CG2-CB 4.31Å; V461-Q535 HydrophobicContact CG2-CG 4.09Å |
| 462 | N | 82.1 | Confident | 86.5 | Confident | 109 Ų | 109 | 53.2 Ų | 53.2 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -41.9 | -171.8 | -173.6 | 41.2 | 0 | 0 | 0 | 111.9 | E470 M472 | N462-E470 PolarHBondContact N-O 2.97Å; N462-E470 PolarHBondContact ND2-OE1 3.41Å; N462-M472 HydrophobicContact CB-CG 4.26Å; N462-M472 HydrophobicContact CB-SD 3.91Å |
| 463 | L | 80.1 | Confident | 86.7 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.3 | 177.2 | -167.5 | 77.7 | 0 | 0 | 0 | 110.3 | E470 | L463-E470 HydrophobicContact CB-CB 3.61Å; L463-E470 PolarHBondContact O-N 3.13Å |
| 464 | V | 82.8 | Confident | 86.7 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 26% | 0.255 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.3 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | V461 L469 A538 V610 | V461-V464 HydrophobicContact CG1-CG2 3.68Å; V464-L469 HydrophobicContact CB-CD2 4.17Å; V464-L469 HydrophobicContact CG1-CD2 3.83Å; V464-L469 HydrophobicContact CG2-CD2 3.91Å; V464-A538 HydrophobicContact CG1-CB 4.43Å; V464-V610 HydrophobicContact CB-CG1 4.41Å; V464-V610 HydrophobicContact CG1-CG1 3.62Å |
| 465 | S | 85.6 | Confident | 86.7 | Confident | 33 Ų | 33 | 57 Ų | 57 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | trans | -114.5 | -178.3 | 176.2 | -167.4 | 0 | 0 | 0 | 0 | 110.8 | T468 A538 | S465-T468 WeakPolarHBondContact CA-O 3.37Å; S465-T468 WeakPolarHBondContact CB-O 3.22Å; S465-T468 WeakPolarHBondContact CB-OG1 2.98Å; S465-T468 PolarHBondContact N-O 2.96Å; S465-A538 VanDerWaalsContact O-CB 3.3Å; S465-A538 WeakPolarHBondContact O-CB 3.4Å; S465-A538 PolarHBondContact O-N 3.46Å | ||
| 466 | T | 84.8 | Confident | 86.8 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.043 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -71.4 | -33.7 | 175.7 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | C509 A538 P539 L614 | T466-C509 VanDerWaalsContact O-CA 3.22Å; T466-C509 WeakPolarHBondContact O-CA 3.19Å; T466-C509 WeakPolarHBondContact O-CB 3.34Å; T466-C509 PolarHBondContact O-N 3.26Å; T466-A538 HydrophobicContact CG2-CB 4.06Å; T466-P539 VanDerWaalsContact CG2-O 3.27Å; T466-P539 WeakPolarHBondContact CG2-O 3.28Å; T466-L614 HydrophobicContact CG2-CG 4.48Å |
| 467 | E | 86.9 | Confident | 86.7 | Confident | 115 Ų | 115 | 59.4 Ų | 59.4 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -127.9 | -3.5 | -171.9 | -68.7 | 161.6 | -151.2 | 0 | 0 | 112.9 | S505 D506 L507 | E467-S505 CarbonylContact O-C 3.57Å; E467-D506 PolarHBondContact O-N 2.81Å; E467-L507 WeakPolarHBondContact CA-O 3.47Å; E467-L507 WeakPolarHBondContact O-CB 3.3Å; E467-L507 PolarHBondContact O-N 3.49Å |
| 468 | T | 87.8 | Confident | 86.8 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | trans | -135.2 | 146.2 | -179.1 | 66.4 | 0 | 0 | 0 | 0 | 113 | S465 L504 | S465-T468 WeakPolarHBondContact CA-O 3.37Å; S465-T468 WeakPolarHBondContact CB-O 3.22Å; S465-T468 WeakPolarHBondContact CB-OG1 2.98Å; S465-T468 PolarHBondContact N-O 2.96Å; T468-L504 CarbonylContact C-O 3.56Å; T468-L504 WeakPolarHBondContact CA-O 3.39Å; T468-L504 WeakPolarHBondContact CB-O 3.34Å | ||
| 469 | L | 88.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.2 | 170.8 | -71.9 | 172.5 | 0 | 0 | 0 | 108.7 | V461 V464 L504 L507 Q535 T537 | V461-L469 HydrophobicContact CG1-CD2 4.05Å; V464-L469 HydrophobicContact CB-CD2 4.17Å; V464-L469 HydrophobicContact CG1-CD2 3.83Å; V464-L469 HydrophobicContact CG2-CD2 3.91Å; L469-L504 PolarHBondContact N-O 2.85Å; L469-L504 PolarHBondContact O-N 3.36Å; L469-L507 HydrophobicContact CB-CD1 3.73Å; L469-L507 HydrophobicContact CD1-CD1 3.65Å; L469-L507 HydrophobicContact CG-CD1 3.44Å; L469-L507 VanDerWaalsContact CG-CD1 3.44Å; L469-Q535 HydrophobicContact CD1-CG 4.23Å; L469-Q535 HydrophobicContact CD2-CG 3.84Å; L469-T537 HydrophobicContact CD1-CG2 4.25Å; L469-T537 HydrophobicContact CG-CG2 4.31Å |
| 470 | E | 90 | Very high | 87.2 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.7 | 173.1 | -169.7 | -172.9 | 116.4 | 0 | 0 | 109.1 | V461 N462 L463 V501 | V461-E470 CarbonylContact C-O 3.41Å; V461-E470 WeakPolarHBondContact CA-O 3.35Å; N462-E470 PolarHBondContact N-O 2.97Å; N462-E470 PolarHBondContact ND2-OE1 3.41Å; L463-E470 HydrophobicContact CB-CB 3.61Å; L463-E470 PolarHBondContact O-N 3.13Å; E470-V501 HydrophobicContact CG-CG2 4.24Å |
| 471 | V | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.3 | -175.7 | -170 | 0 | 0 | 0 | 0 | 108.1 | V459 T460 W473 V501 C502 L504 V515 V517 | V459-V471 HydrophobicContact CG1-CG1 3.94Å; T460-V471 WeakPolarHBondContact O-CA 3.21Å; V471-W473 HydrophobicContact CB-CZ3 4.25Å; V471-W473 HydrophobicContact CG1-CE3 4.11Å; V471-W473 HydrophobicContact CG1-CZ3 4.18Å; V471-W473 WeakPolarHBondContact O-CZ3 3.47Å; V471-V501 CarbonylContact O-C 3.58Å; V471-V501 VanDerWaalsContact O-CA 3.31Å; V471-V501 WeakPolarHBondContact O-CA 3.46Å; V471-C502 PolarHBondContact N-O 3.01Å; V471-C502 PolarHBondContact O-N 2.93Å; V471-L504 HydrophobicContact CG2-CD1 4.09Å; V471-V515 HydrophobicContact CG1-CG1 4.22Å; V471-V515 HydrophobicContact CG2-CG1 4.05Å; V471-V517 HydrophobicContact CG1-CG2 4.31Å |
| 472 | M | 91.7 | Very high | 87.8 | Confident | 75 Ų | 75 | 49.9 Ų | 49.9 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 148.2 | 179.7 | -66 | -175.2 | 70.5 | 0 | 0 | 110.2 | T460 N462 V501 | T460-M472 PolarHBondContact N-O 3.32Å; T460-M472 PolarHBondContact O-N 2.92Å; T460-M472 PolarHBondContact OG1-O 2.89Å; N462-M472 HydrophobicContact CB-CG 4.26Å; N462-M472 HydrophobicContact CB-SD 3.91Å; M472-V501 HydrophobicContact CG-CB 4.15Å; M472-V501 HydrophobicContact CG-CG2 3.79Å |
| 473 | W | 91.6 | Very high | 88.2 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | trans | -145.3 | 165.9 | 177 | 53.9 | 94.5 | 0 | 0 | 0 | 112.1 | P456 V459 V471 Y482 T484 S499 P500 C502 V517 | P456-W473 HydrophobicContact CB-CB 3.98Å; P456-W473 HydrophobicContact CB-CG 4.25Å; V459-W473 HydrophobicContact CG2-CB 4.15Å; V471-W473 HydrophobicContact CB-CZ3 4.25Å; V471-W473 HydrophobicContact CG1-CE3 4.11Å; V471-W473 HydrophobicContact CG1-CZ3 4.18Å; V471-W473 WeakPolarHBondContact O-CZ3 3.47Å; W473-Y482 AromaticContact CD1-CE1 3.86Å; W473-Y482 AromaticContact CE2-CD1 3.88Å; W473-Y482 AromaticContact CE2-CG 3.82Å; W473-Y482 HydrophobicContact CZ2-CD1 4.19Å; W473-Y482 HydrophobicContact CZ2-CD2 4.08Å; W473-Y482 AromaticContact CZ2-CG 3.68Å; W473-Y482 HydrophobicContact CZ2-CG 3.68Å; W473-Y482 AromaticContact NE1-CD1 3.15Å; W473-Y482 AromaticContact NE1-CD2 3.78Å; W473-Y482 AromaticContact NE1-CE1 3.28Å; W473-Y482 VanDerWaalsContact NE1-CE1 3.28Å; W473-Y482 AromaticContact NE1-CE2 3.92Å; W473-Y482 AromaticContact NE1-CG 3.43Å; W473-Y482 AromaticContact NE1-CZ 3.69Å; W473-T484 WeakPolarHBondContact CH2-OG1 3.29Å; W473-S499 WeakPolarHBondContact CZ2-O 3.37Å; W473-P500 VanDerWaalsContact CE2-CA 3.48Å; W473-P500 HydrophobicContact CG-CB 4.47Å; W473-P500 PolarHBondContact N-O 2.99Å; W473-P500 VanDerWaalsContact N-O 3.08Å; W473-P500 WeakPolarHBondContact O-CB 3.38Å; W473-C502 HydrophobicContact CH2-CB 3.79Å; W473-C502 HydrophobicContact CZ3-CB 4.02Å; W473-V517 HydrophobicContact CD2-CG1 3.71Å; W473-V517 HydrophobicContact CD2-CG2 4.19Å; W473-V517 HydrophobicContact CE3-CG1 4.06Å; W473-V517 HydrophobicContact CE3-CG2 3.75Å; W473-V517 HydrophobicContact CG-CG1 4.16Å; W473-V517 HydrophobicContact CH2-CG1 4.35Å; W473-V517 HydrophobicContact CZ2-CG1 4.01Å; W473-V517 HydrophobicContact CZ3-CG1 4.36Å; W473-V517 HydrophobicContact CZ3-CG2 4.02Å | ||
| 474 | S | 90.1 | Very high | 88.8 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | trans | -72.8 | 130.1 | 169.4 | -69.3 | 0 | 0 | 0 | 0 | 110.1 | D458 | D458-S474 WeakPolarHBondContact OD2-CB 3.41Å; D458-S474 PolarHBondContact OD2-OG 3.27Å | ||
| 475 | P | 89 | Confident | 89.2 | Confident | 96 Ų | 96 | 41.4 Ų | 41.4 | 62% | 0.623 | 23% | 0.229 | S | C | * | . | trans | -64.6 | 137.5 | 178.2 | 26.3 | -33.9 | 0 | 0 | 0 | 111.2 | P500 | P475-P500 HydrophobicContact CB-CB 4.13Å; P475-P500 HydrophobicContact CB-CG 4.31Å | ||
| 476 | V | 89.9 | Confident | 89.4 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | trans | -105.5 | 140.9 | -176 | -169.3 | 0 | 0 | 0 | 0 | 111 | C454 P456 A479 Y482 | C454-V476 HydrophobicContact CB-CG1 3.79Å; C454-V476 WeakPolarHBondContact O-CG1 3.46Å; P456-V476 HydrophobicContact CB-CG2 3.96Å; V476-A479 HydrophobicContact CB-CB 4.42Å; V476-A479 PolarHBondContact O-N 2.83Å; V476-Y482 HydrophobicContact CG2-CE1 4.45Å; V476-Y482 PolarHBondContact N-OH 2.04Å | ||
| 477 | K | 85.8 | Confident | 89.5 | Confident | 82 Ų | 82 | 41.2 Ų | 41.2 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 137.9 | 176 | -161.5 | -176.9 | 173.1 | -178.4 | 0 | 111.4 | D404 G425 Y426 A479 | D404-K477 IonicContact OD1-NZ 3.81Å; D404-K477 PolarHBondContact OD1-NZ 3.02Å; D404-K477 WeakPolarHBondContact OD2-CE 3.24Å; D404-K477 IonicContact OD2-NZ 2.77Å; D404-K477 PolarHBondContact OD2-NZ 2.88Å; G425-K477 WeakPolarHBondContact CA-O 3.37Å; G425-K477 CarbonylContact O-C 3.59Å; G425-K477 VanDerWaalsContact O-CG 3.31Å; G425-K477 WeakPolarHBondContact O-CG 3.34Å; Y426-K477 HydrophobicContact CD1-CD 4.24Å; Y426-K477 HydrophobicContact CD2-CD 4.37Å; Y426-K477 HydrophobicContact CE1-CD 4.04Å; Y426-K477 HydrophobicContact CE2-CD 4.13Å; Y426-K477 HydrophobicContact CG-CD 4.4Å; K477-A479 PolarHBondContact O-N 3.03Å |
| 478 | G | 83.4 | Confident | 89.4 | Confident | 30 Ų | 30 | 38 Ų | 38 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -5.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | P453 S521 | P453-G478 WeakPolarHBondContact CG-O 3.42Å; G478-S521 WeakPolarHBondContact O-CB 3.16Å |
| 479 | A | 88.4 | Confident | 88.6 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | trans | -83.8 | 121.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P453 V476 K477 Y482 P519 C520 | P453-A479 HydrophobicContact CB-CB 4.07Å; P453-A479 HydrophobicContact CG-CB 4.28Å; V476-A479 HydrophobicContact CB-CB 4.42Å; V476-A479 PolarHBondContact O-N 2.83Å; K477-A479 PolarHBondContact O-N 3.03Å; A479-Y482 HydrophobicContact CB-CE1 3.81Å; A479-Y482 HydrophobicContact CB-CE2 4.3Å; A479-Y482 WeakPolarHBondContact CB-OH 3.11Å; A479-P519 HydrophobicContact CB-CB 3.84Å; A479-C520 WeakPolarHBondContact CA-O 3.11Å | ||
| 480 | E | 88.8 | Confident | 87.8 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -100.2 | -25.4 | 177.6 | -68.7 | 155.1 | 143.9 | 0 | 0 | 110.9 | T498 C520 S521 E522 | E480-T498 WeakPolarHBondContact O-CG2 3.42Å; E480-C520 PolarHBondContact N-O 2.83Å; E480-S521 WeakPolarHBondContact OE2-CA 3.36Å; E480-S521 WeakPolarHBondContact OE2-CB 3.44Å; E480-S521 PolarHBondContact OE2-OG 3.03Å; E480-E522 PolarHBondContact OE2-N 3.29Å |
| 481 | L | 91.8 | Very high | 87.2 | Confident | 63 Ų | 63 | 50.1 Ų | 50.1 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.5 | 178.4 | -175.2 | 74.1 | 0 | 0 | 0 | 109.6 | N496 T498 C520 | L481-N496 HydrophobicContact CD1-CB 4.31Å; L481-N496 HydrophobicContact CD2-CB 4.5Å; L481-T498 HydrophobicContact CD1-CG2 4.29Å; L481-C520 HydrophobicContact CB-CB 4.28Å; L481-C520 PolarHBondContact N-O 2.78Å; L481-C520 PolarHBondContact O-N 2.96Å |
| 482 | Y | 92 | Very high | 86.9 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.2 | 169 | -58.8 | -91.3 | 0 | 0 | 0 | 109.6 | W473 V476 A479 N496 D497 V517 T518 P519 | W473-Y482 AromaticContact CD1-CE1 3.86Å; W473-Y482 AromaticContact CE2-CD1 3.88Å; W473-Y482 AromaticContact CE2-CG 3.82Å; W473-Y482 HydrophobicContact CZ2-CD1 4.19Å; W473-Y482 HydrophobicContact CZ2-CD2 4.08Å; W473-Y482 AromaticContact CZ2-CG 3.68Å; W473-Y482 HydrophobicContact CZ2-CG 3.68Å; W473-Y482 AromaticContact NE1-CD1 3.15Å; W473-Y482 AromaticContact NE1-CD2 3.78Å; W473-Y482 AromaticContact NE1-CE1 3.28Å; W473-Y482 VanDerWaalsContact NE1-CE1 3.28Å; W473-Y482 AromaticContact NE1-CE2 3.92Å; W473-Y482 AromaticContact NE1-CG 3.43Å; W473-Y482 AromaticContact NE1-CZ 3.69Å; V476-Y482 HydrophobicContact CG2-CE1 4.45Å; V476-Y482 PolarHBondContact N-OH 2.04Å; A479-Y482 HydrophobicContact CB-CE1 3.81Å; A479-Y482 HydrophobicContact CB-CE2 4.3Å; A479-Y482 WeakPolarHBondContact CB-OH 3.11Å; Y482-N496 WeakPolarHBondContact O-CA 3.27Å; Y482-D497 PolarHBondContact N-O 3.35Å; Y482-D497 PolarHBondContact O-N 3.04Å; Y482-V517 HydrophobicContact CD1-CG1 4.1Å; Y482-T518 CarbonylContact C-O 3.52Å; Y482-T518 WeakPolarHBondContact CA-O 3.35Å; Y482-P519 HydrophobicContact CD1-CB 3.9Å; Y482-P519 HydrophobicContact CE1-CB 3.9Å |
| 483 | E | 92.4 | Very high | 86.7 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 103.5 | 166.2 | 169.9 | 167.6 | -146.4 | 0 | 0 | 108.9 | T485 H494 N496 T518 | E483-T485 HydrophobicContact CG-CG2 3.92Å; E483-H494 IonicContact OE1-CE1 2.66Å; E483-H494 IonicContact OE1-ND1 2.68Å; E483-H494 PolarHBondContact OE1-ND1 3.41Å; E483-N496 WeakPolarHBondContact CG-OD1 3.27Å; E483-T518 PolarHBondContact N-O 3.43Å; E483-T518 WeakPolarHBondContact O-CA 3.45Å; E483-T518 VanDerWaalsContact O-CB 3.3Å; E483-T518 WeakPolarHBondContact O-CB 3.44Å; E483-T518 PolarHBondContact O-N 3.33Å; E483-T518 PolarHBondContact O-OG1 3.44Å |
| 484 | T | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.4 | 172.5 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | W473 H494 C495 C502 L504 V515 T516 V517 | W473-T484 WeakPolarHBondContact CH2-OG1 3.29Å; T484-H494 CarbonylContact O-C 3.54Å; T484-C495 PolarHBondContact N-O 3.14Å; T484-C495 PolarHBondContact O-N 2.91Å; T484-C502 HydrophobicContact CG2-CB 4.29Å; T484-L504 HydrophobicContact CG2-CD1 4.24Å; T484-V515 HydrophobicContact CG2-CG1 4.12Å; T484-T516 WeakPolarHBondContact CA-O 3.39Å; T484-V517 HydrophobicContact CG2-CG2 4.16Å |
| 485 | T | 90.8 | Very high | 86.6 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 141.6 | 178 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | E483 V492 L493 V515 T516 | E483-T485 HydrophobicContact CG-CG2 3.92Å; T485-V492 HydrophobicContact CG2-CG1 4.44Å; T485-L493 CarbonylContact C-O 3.57Å; T485-L493 VanDerWaalsContact CA-O 3.28Å; T485-L493 WeakPolarHBondContact CA-O 3.28Å; T485-V515 CarbonylContact O-C 3.55Å; T485-V515 WeakPolarHBondContact O-CA 3.49Å; T485-T516 PolarHBondContact N-O 2.9Å; T485-T516 PolarHBondContact O-N 3.01Å; T485-T516 PolarHBondContact OG1-O 3.17Å |
| 486 | A | 90.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 106.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V492 L493 L504 Y513 V515 | A486-V492 WeakPolarHBondContact O-CA 3.45Å; A486-L493 PolarHBondContact N-O 2.78Å; A486-L493 PolarHBondContact O-N 2.87Å; A486-L504 HydrophobicContact CB-CD1 3.61Å; A486-L504 HydrophobicContact CB-CD2 4.21Å; A486-L504 HydrophobicContact CB-CG 4.46Å; A486-Y513 HydrophobicContact CB-CD1 4.12Å; A486-V515 HydrophobicContact CB-CG2 4.22Å |
| 487 | A | 88 | Confident | 86.8 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V492 S514 | A487-V492 HydrophobicContact CB-CG1 4.44Å; A487-V492 HydrophobicContact CB-CG2 4.05Å; A487-S514 PolarHBondContact N-O 3.06Å; A487-S514 PolarHBondContact O-N 2.79Å |
| 488 | Q | 83.1 | Confident | 87 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 166.6 | 162.4 | -161 | 178.4 | 17.1 | 0 | 0 | 108.1 | N490 S491 T508 S511 Y513 | Q488-N490 PolarHBondContact O-N 3.47Å; Q488-S491 PolarHBondContact N-O 2.88Å; Q488-S491 PolarHBondContact O-N 3.47Å; Q488-S491 VanDerWaalsContact O-O 3.06Å; Q488-S491 PolarHBondContact OE1-OG 2.79Å; Q488-T508 PolarHBondContact NE2-OG1 3.41Å; Q488-T508 PolarHBondContact OE1-OG1 3.13Å; Q488-S511 PolarHBondContact NE2-OG 3.44Å; Q488-Y513 HydrophobicContact CB-CD1 3.92Å; Q488-Y513 HydrophobicContact CB-CE1 3.59Å; Q488-Y513 HydrophobicContact CG-CE1 4.17Å; Q488-Y513 PolarHBondContact OE1-OH 3.02Å |
| 489 | T | 72.9 | Confident | 87.3 | Confident | 138 Ų | 138 | 59.2 Ų | 59.2 | 85% | 0.847 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -33.4 | -170.5 | -38 | 0 | 0 | 0 | 0 | 115.4 | ||
| 490 | N | 70.1 | Confident | 87.4 | Confident | 162 Ų | 162 | 60.5 Ų | 60.5 | 87% | 0.866 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.3 | 6.4 | -178.2 | -69.3 | -8 | 0 | 0 | 0 | 114.3 | Q488 | Q488-N490 PolarHBondContact O-N 3.47Š|
| 491 | S | 78.2 | Confident | 87.6 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 141.3 | -176 | 52.2 | 0 | 0 | 0 | 0 | 111.4 | Q488 | Q488-S491 PolarHBondContact N-O 2.88Å; Q488-S491 PolarHBondContact O-N 3.47Å; Q488-S491 VanDerWaalsContact O-O 3.06Å; Q488-S491 PolarHBondContact OE1-OG 2.79Å |
| 492 | V | 86 | Confident | 87.6 | Confident | 77 Ų | 77 | 55.7 Ų | 55.7 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123 | 174.8 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | T485 A486 A487 H494 | T485-V492 HydrophobicContact CG2-CG1 4.44Å; A486-V492 WeakPolarHBondContact O-CA 3.45Å; A487-V492 HydrophobicContact CB-CG1 4.44Å; A487-V492 HydrophobicContact CB-CG2 4.05Å; V492-H494 WeakPolarHBondContact CG1-NE2 3.47Å |
| 493 | L | 87.3 | Confident | 87.5 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 23% | 0.225 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.2 | 172 | -70.9 | 155.6 | 0 | 0 | 0 | 108.3 | T485 A486 L504 L507 Y513 | T485-L493 CarbonylContact C-O 3.57Å; T485-L493 VanDerWaalsContact CA-O 3.28Å; T485-L493 WeakPolarHBondContact CA-O 3.28Å; A486-L493 PolarHBondContact N-O 2.78Å; A486-L493 PolarHBondContact O-N 2.87Å; L493-L504 HydrophobicContact CB-CD2 4.22Å; L493-L507 HydrophobicContact CD1-CD2 3.34Å; L493-L507 HydrophobicContact CD1-CG 4.04Å; L493-Y513 HydrophobicContact CD1-CE1 4.43Å |
| 494 | H | 89.8 | Confident | 87.4 | Confident | 114 Ų | 114 | 56.9 Ų | 56.9 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 146.7 | -179.5 | -66.5 | -109.7 | 0 | 0 | 0 | 110.1 | E483 T484 V492 | E483-H494 IonicContact OE1-CE1 2.66Å; E483-H494 IonicContact OE1-ND1 2.68Å; E483-H494 PolarHBondContact OE1-ND1 3.41Å; T484-H494 CarbonylContact O-C 3.54Å; V492-H494 WeakPolarHBondContact CG1-NE2 3.47Å |
| 495 | C | 90.4 | Very high | 87.1 | Confident | 26 Ų | 26 | 60 Ų | 60 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 107.8 | -178.2 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | T484 C502 L504 | T484-C495 PolarHBondContact N-O 3.14Å; T484-C495 PolarHBondContact O-N 2.91Å; C495-C502 HydrophobicContact CB-CB 4.2Å; C495-C502 WeakPolarHBondContact CB-SG 3.19Å; C495-C502 WeakPolarHBondContact SG-CB 3.22Å; C495-C502 CovalentContact SG-SG 2.02Å; C495-C502 PolarHBondContact SG-SG 3.12Å; C495-L504 HydrophobicContact CB-CD2 3.83Å |
| 496 | N | 91.1 | Very high | 86.9 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.2 | -175.5 | -66 | 5.4 | 0 | 0 | 0 | 108.2 | L481 Y482 E483 | L481-N496 HydrophobicContact CD1-CB 4.31Å; L481-N496 HydrophobicContact CD2-CB 4.5Å; Y482-N496 WeakPolarHBondContact O-CA 3.27Å; E483-N496 WeakPolarHBondContact CG-OD1 3.27Å |
| 497 | D | 90.4 | Very high | 86.8 | Confident | 63 Ų | 63 | 66 Ų | 66 | 34% | 0.337 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 154 | -179 | -153.9 | -51.2 | 0 | 0 | 0 | 110.2 | Y482 S499 | Y482-D497 PolarHBondContact N-O 3.35Å; Y482-D497 PolarHBondContact O-N 3.04Å; D497-S499 VanDerWaalsContact OD1-CB 3.25Å; D497-S499 WeakPolarHBondContact OD1-CB 3.37Å; D497-S499 PolarHBondContact OD1-N 3.04Å; D497-S499 PolarHBondContact OD1-OG 2.91Å |
| 498 | T | 90.4 | Very high | 86.7 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 61% | 0.607 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -85.7 | -20.2 | 172.2 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | E480 L481 | E480-T498 WeakPolarHBondContact O-CG2 3.42Å; L481-T498 HydrophobicContact CD1-CG2 4.29Å |
| 499 | S | 90.4 | Very high | 86.9 | Confident | 48 Ų | 48 | 66.9 Ų | 66.9 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -77 | 147.8 | 176.3 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | W473 D497 V501 | W473-S499 WeakPolarHBondContact CZ2-O 3.37Å; D497-S499 VanDerWaalsContact OD1-CB 3.25Å; D497-S499 WeakPolarHBondContact OD1-CB 3.37Å; D497-S499 PolarHBondContact OD1-N 3.04Å; D497-S499 PolarHBondContact OD1-OG 2.91Å; S499-V501 PolarHBondContact O-N 2.02Å |
| 500 | P | 90.8 | Very high | 87.6 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -81.3 | 38.5 | 178.7 | 36.4 | -37.8 | 0 | 0 | 0 | 113 | W473 P475 | W473-P500 VanDerWaalsContact CE2-CA 3.48Å; W473-P500 HydrophobicContact CG-CB 4.47Å; W473-P500 PolarHBondContact N-O 2.99Å; W473-P500 VanDerWaalsContact N-O 3.08Å; W473-P500 WeakPolarHBondContact O-CB 3.38Å; P475-P500 HydrophobicContact CB-CB 4.13Å; P475-P500 HydrophobicContact CB-CG 4.31Å |
| 501 | V | 91.4 | Very high | 88.3 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 141.5 | -179.6 | 55.2 | 0 | 0 | 0 | 0 | 109 | E470 V471 M472 S499 | E470-V501 HydrophobicContact CG-CG2 4.24Å; V471-V501 CarbonylContact O-C 3.58Å; V471-V501 VanDerWaalsContact O-CA 3.31Å; V471-V501 WeakPolarHBondContact O-CA 3.46Å; M472-V501 HydrophobicContact CG-CB 4.15Å; M472-V501 HydrophobicContact CG-CG2 3.79Å; S499-V501 PolarHBondContact O-N 2.02Å |
| 502 | C | 91.7 | Very high | 88.8 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.02 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 137.4 | 172.9 | 164.4 | 0 | 0 | 0 | 0 | 110.8 | V471 W473 T484 C495 | V471-C502 PolarHBondContact N-O 3.01Å; V471-C502 PolarHBondContact O-N 2.93Å; W473-C502 HydrophobicContact CH2-CB 3.79Å; W473-C502 HydrophobicContact CZ3-CB 4.02Å; T484-C502 HydrophobicContact CG2-CB 4.29Å; C495-C502 HydrophobicContact CB-CB 4.2Å; C495-C502 WeakPolarHBondContact CB-SG 3.19Å; C495-C502 WeakPolarHBondContact SG-CB 3.22Å; C495-C502 CovalentContact SG-SG 2.02Å; C495-C502 PolarHBondContact SG-SG 3.12Å |
| 503 | A | 90.8 | Very high | 88.9 | Confident | 67 Ų | 67 | 54.1 Ų | 54.1 | 55% | 0.554 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 99.1 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 504 | L | 90.1 | Very high | 89 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.7 | 173 | -68.2 | 156.7 | 0 | 0 | 0 | 109 | T468 L469 V471 T484 A486 L493 C495 L507 V515 | T468-L504 CarbonylContact C-O 3.56Å; T468-L504 WeakPolarHBondContact CA-O 3.39Å; T468-L504 WeakPolarHBondContact CB-O 3.34Å; L469-L504 PolarHBondContact N-O 2.85Å; L469-L504 PolarHBondContact O-N 3.36Å; V471-L504 HydrophobicContact CG2-CD1 4.09Å; T484-L504 HydrophobicContact CG2-CD1 4.24Å; A486-L504 HydrophobicContact CB-CD1 3.61Å; A486-L504 HydrophobicContact CB-CD2 4.21Å; A486-L504 HydrophobicContact CB-CG 4.46Å; L493-L504 HydrophobicContact CB-CD2 4.22Å; C495-L504 HydrophobicContact CB-CD2 3.83Å; L504-L507 HydrophobicContact CB-CD1 4.23Å; L504-V515 HydrophobicContact CD1-CG1 4.44Å |
| 505 | S | 86.6 | Confident | 89 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | trans | -124.7 | 172.8 | -179.7 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | E467 L507 | E467-S505 CarbonylContact O-C 3.57Å; S505-L507 VanDerWaalsContact C-N 3.28Å; S505-L507 PolarHBondContact O-N 3.22Å | ||
| 506 | D | 85.4 | Confident | 89.1 | Confident | 143 Ų | 143 | 48.4 Ų | 48.4 | 77% | 0.765 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 62 | 34.1 | -175.1 | -159.1 | 32.1 | 0 | 0 | 0 | 113 | E467 | E467-D506 PolarHBondContact O-N 2.81Š|
| 507 | L | 87.5 | Confident | 89.1 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 148.5 | 174.3 | -62.2 | 164.7 | 0 | 0 | 0 | 111 | E467 L469 L493 L504 S505 Y513 T537 | E467-L507 WeakPolarHBondContact CA-O 3.47Å; E467-L507 WeakPolarHBondContact O-CB 3.3Å; E467-L507 PolarHBondContact O-N 3.49Å; L469-L507 HydrophobicContact CB-CD1 3.73Å; L469-L507 HydrophobicContact CD1-CD1 3.65Å; L469-L507 HydrophobicContact CG-CD1 3.44Å; L469-L507 VanDerWaalsContact CG-CD1 3.44Å; L493-L507 HydrophobicContact CD1-CD2 3.34Å; L493-L507 HydrophobicContact CD1-CG 4.04Å; L504-L507 HydrophobicContact CB-CD1 4.23Å; S505-L507 VanDerWaalsContact C-N 3.28Å; S505-L507 PolarHBondContact O-N 3.22Å; L507-Y513 HydrophobicContact CB-CE2 4.1Å; L507-Y513 HydrophobicContact CD2-CD1 3.69Å; L507-Y513 HydrophobicContact CD2-CD2 4Å; L507-Y513 HydrophobicContact CD2-CE1 3.39Å; L507-Y513 HydrophobicContact CD2-CE2 3.72Å; L507-Y513 HydrophobicContact CD2-CG 3.99Å; L507-Y513 VanDerWaalsContact CD2-CZ 3.42Å; L507-Y513 HydrophobicContact CG-CE2 4.49Å; L507-T537 HydrophobicContact CB-CG2 4.02Å; L507-T537 HydrophobicContact CD1-CG2 4.21Å |
| 508 | T | 87.4 | Confident | 89.2 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 39% | 0.393 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 134 | 172.3 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | Q488 S511 Y513 T537 | Q488-T508 PolarHBondContact NE2-OG1 3.41Å; Q488-T508 PolarHBondContact OE1-OG1 3.13Å; T508-S511 WeakPolarHBondContact O-CB 3.06Å; T508-S511 WeakPolarHBondContact OG1-CB 3.45Å; T508-S511 PolarHBondContact OG1-OG 3.16Å; T508-S511 VanDerWaalsContact OG1-OG 3.11Å; T508-Y513 PolarHBondContact N-OH 2.81Å; T508-Y513 PolarHBondContact OG1-OH 3.34Å; T508-T537 PolarHBondContact O-OG1 2.82Å |
| 509 | C | 87.1 | Confident | 89.3 | Confident | 38 Ų | 38 | 36.8 Ų | 36.8 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 155.5 | 178.6 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | T466 S511 T537 C540 | T466-C509 VanDerWaalsContact O-CA 3.22Å; T466-C509 WeakPolarHBondContact O-CA 3.19Å; T466-C509 WeakPolarHBondContact O-CB 3.34Å; T466-C509 PolarHBondContact O-N 3.26Å; C509-S511 PolarHBondContact O-N 2.93Å; C509-S511 PolarHBondContact O-OG 2.95Å; C509-T537 WeakPolarHBondContact CA-OG1 3.14Å; C509-C540 HydrophobicContact CB-CB 3.9Å; C509-C540 WeakPolarHBondContact CB-SG 3.34Å; C509-C540 WeakPolarHBondContact SG-CA 3.47Å; C509-C540 WeakPolarHBondContact SG-CB 3.38Å; C509-C540 CovalentContact SG-SG 2.03Å; C509-C540 PolarHBondContact SG-SG 3.01Å |
| 510 | N | 86.4 | Confident | 89.2 | Confident | 32 Ų | 32 | 34.9 Ų | 34.9 | 17% | 0.171 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 42.3 | -175.4 | -160.3 | 100.6 | 0 | 0 | 0 | 113.4 | T537 A538 N563 S564 | N510-T537 PolarHBondContact N-OG1 3.15Å; N510-T537 VanDerWaalsContact N-OG1 3.09Å; N510-A538 PolarHBondContact N-O 3.43Å; N510-N563 WeakPolarHBondContact CB-OD1 3.39Å; N510-S564 PolarHBondContact OD1-N 3.34Å |
| 511 | S | 86.4 | Confident | 89.2 | Confident | 25 Ų | 25 | 33 Ų | 33 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | trans | -128.6 | 143.5 | -177.3 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | Q488 T508 C509 E536 T537 | Q488-S511 PolarHBondContact NE2-OG 3.44Å; T508-S511 WeakPolarHBondContact O-CB 3.06Å; T508-S511 WeakPolarHBondContact OG1-CB 3.45Å; T508-S511 PolarHBondContact OG1-OG 3.16Å; T508-S511 VanDerWaalsContact OG1-OG 3.11Å; C509-S511 PolarHBondContact O-N 2.93Å; C509-S511 PolarHBondContact O-OG 2.95Å; S511-E536 WeakPolarHBondContact O-CA 3.36Å; S511-T537 PolarHBondContact N-OG1 3.48Å; S511-T537 PolarHBondContact O-N 2.95Å; S511-T537 PolarHBondContact O-OG1 2.93Å | ||
| 512 | L | 87.3 | Confident | 88.8 | Confident | 100 Ų | 100 | 39.3 Ų | 39.3 | 52% | 0.524 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.9 | 179.2 | -173.5 | 71.9 | 0 | 0 | 0 | 110.3 | R534 E536 | L512-R534 HydrophobicContact CD1-CB 4.38Å; L512-E536 HydrophobicContact CD1-CB 4.23Å |
| 513 | Y | 88.1 | Confident | 88.3 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 146.3 | 175.5 | -73.9 | -93.9 | 0 | 0 | 0 | 111.2 | A486 Q488 L493 L507 T508 R534 Q535 T537 | A486-Y513 HydrophobicContact CB-CD1 4.12Å; Q488-Y513 HydrophobicContact CB-CD1 3.92Å; Q488-Y513 HydrophobicContact CB-CE1 3.59Å; Q488-Y513 HydrophobicContact CG-CE1 4.17Å; Q488-Y513 PolarHBondContact OE1-OH 3.02Å; L493-Y513 HydrophobicContact CD1-CE1 4.43Å; L507-Y513 HydrophobicContact CB-CE2 4.1Å; L507-Y513 HydrophobicContact CD2-CD1 3.69Å; L507-Y513 HydrophobicContact CD2-CD2 4Å; L507-Y513 HydrophobicContact CD2-CE1 3.39Å; L507-Y513 HydrophobicContact CD2-CE2 3.72Å; L507-Y513 HydrophobicContact CD2-CG 3.99Å; L507-Y513 VanDerWaalsContact CD2-CZ 3.42Å; L507-Y513 HydrophobicContact CG-CE2 4.49Å; T508-Y513 PolarHBondContact N-OH 2.81Å; T508-Y513 PolarHBondContact OG1-OH 3.34Å; Y513-R534 WeakPolarHBondContact O-CA 3.31Å; Y513-Q535 PolarHBondContact N-O 3.07Å; Y513-Q535 PolarHBondContact O-N 3.12Å; Y513-T537 HydrophobicContact CD2-CG2 3.93Å; Y513-T537 HydrophobicContact CE2-CG2 3.92Å |
| 514 | S | 90.3 | Very high | 87.9 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 100.3 | 172.9 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | A487 P532 H533 | A487-S514 PolarHBondContact N-O 3.06Å; A487-S514 PolarHBondContact O-N 2.79Å; S514-P532 VanDerWaalsContact OG-CB 3.28Å; S514-P532 WeakPolarHBondContact OG-CB 3.47Å; S514-H533 CarbonylContact C-O 3.6Å |
| 515 | V | 90.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.9 | -176.2 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | V471 T484 T485 A486 L504 P532 H533 | V471-V515 HydrophobicContact CG1-CG1 4.22Å; V471-V515 HydrophobicContact CG2-CG1 4.05Å; T484-V515 HydrophobicContact CG2-CG1 4.12Å; T485-V515 CarbonylContact O-C 3.55Å; T485-V515 WeakPolarHBondContact O-CA 3.49Å; A486-V515 HydrophobicContact CB-CG2 4.22Å; L504-V515 HydrophobicContact CD1-CG1 4.44Å; V515-P532 CarbonylContact O-C 3.57Å; V515-P532 WeakPolarHBondContact O-CA 3.17Å; V515-H533 PolarHBondContact N-O 3.21Å; V515-H533 PolarHBondContact O-N 2.87Å |
| 516 | T | 91.4 | Very high | 87.7 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.5 | 176.1 | -43.6 | 0 | 0 | 0 | 0 | 109.7 | T484 T485 C530 | T484-T516 WeakPolarHBondContact CA-O 3.39Å; T485-T516 PolarHBondContact N-O 2.9Å; T485-T516 PolarHBondContact O-N 3.01Å; T485-T516 PolarHBondContact OG1-O 3.17Å; T516-C530 HydrophobicContact CG2-CB 4.4Å |
| 517 | V | 92.2 | Very high | 87.9 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.6 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | P456 V459 V471 W473 Y482 T484 | P456-V517 HydrophobicContact CG-CB 4.06Å; P456-V517 HydrophobicContact CG-CG1 3.9Å; V459-V517 HydrophobicContact CG1-CG2 3.89Å; V459-V517 HydrophobicContact CG2-CB 4.41Å; V459-V517 HydrophobicContact CG2-CG2 4.27Å; V471-V517 HydrophobicContact CG1-CG2 4.31Å; W473-V517 HydrophobicContact CD2-CG1 3.71Å; W473-V517 HydrophobicContact CD2-CG2 4.19Å; W473-V517 HydrophobicContact CE3-CG1 4.06Å; W473-V517 HydrophobicContact CE3-CG2 3.75Å; W473-V517 HydrophobicContact CG-CG1 4.16Å; W473-V517 HydrophobicContact CH2-CG1 4.35Å; W473-V517 HydrophobicContact CZ2-CG1 4.01Å; W473-V517 HydrophobicContact CZ3-CG1 4.36Å; W473-V517 HydrophobicContact CZ3-CG2 4.02Å; Y482-V517 HydrophobicContact CD1-CG1 4.1Å; T484-V517 HydrophobicContact CG2-CG2 4.16Å |
| 518 | T | 91.4 | Very high | 87.7 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 108.9 | -175.8 | -47.4 | 0 | 0 | 0 | 0 | 109.4 | Y482 E483 C526 N527 | Y482-T518 CarbonylContact C-O 3.52Å; Y482-T518 WeakPolarHBondContact CA-O 3.35Å; E483-T518 PolarHBondContact N-O 3.43Å; E483-T518 WeakPolarHBondContact O-CA 3.45Å; E483-T518 VanDerWaalsContact O-CB 3.3Å; E483-T518 WeakPolarHBondContact O-CB 3.44Å; E483-T518 PolarHBondContact O-N 3.33Å; E483-T518 PolarHBondContact O-OG1 3.44Å; T518-C526 HydrophobicContact CG2-CB 3.85Å; T518-N527 WeakPolarHBondContact CG2-O 3.49Å |
| 519 | P | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 139.3 | 178 | 30.2 | -28.7 | 0 | 0 | 0 | 110.9 | P453 C454 A479 Y482 C526 N527 C530 | P453-P519 HydrophobicContact CB-CB 3.96Å; P453-P519 HydrophobicContact CB-CG 4.22Å; C454-P519 WeakPolarHBondContact O-CG 3.47Å; A479-P519 HydrophobicContact CB-CB 3.84Å; Y482-P519 HydrophobicContact CD1-CB 3.9Å; Y482-P519 HydrophobicContact CE1-CB 3.9Å; P519-C526 WeakPolarHBondContact O-CA 3.45Å; P519-N527 HydrophobicContact CG-CB 4.31Å; P519-N527 PolarHBondContact O-N 2.95Å; P519-C530 VanDerWaalsContact CD-SG 3.59Å |
| 520 | C | 89.6 | Confident | 87.7 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.9 | -173.7 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | A479 E480 L481 G525 C526 | A479-C520 WeakPolarHBondContact CA-O 3.11Å; E480-C520 PolarHBondContact N-O 2.83Å; L481-C520 HydrophobicContact CB-CB 4.28Å; L481-C520 PolarHBondContact N-O 2.78Å; L481-C520 PolarHBondContact O-N 2.96Å; C520-G525 WeakPolarHBondContact CA-O 3.24Å; C520-C526 HydrophobicContact CB-CB 4.06Å; C520-C526 WeakPolarHBondContact CB-SG 3.09Å; C520-C526 WeakPolarHBondContact SG-CB 3.49Å; C520-C526 CovalentContact SG-SG 2.04Å; C520-C526 PolarHBondContact SG-SG 2.88Å |
| 521 | S | 88.9 | Confident | 87.7 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.4 | 166.9 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | G478 E480 L523 R524 G525 | G478-S521 WeakPolarHBondContact O-CB 3.16Å; E480-S521 WeakPolarHBondContact OE2-CA 3.36Å; E480-S521 WeakPolarHBondContact OE2-CB 3.44Å; E480-S521 PolarHBondContact OE2-OG 3.03Å; S521-L523 PolarHBondContact O-N 2.87Å; S521-L523 PolarHBondContact OG-N 3.27Å; S521-R524 PolarHBondContact O-N 2.85Å; S521-G525 PolarHBondContact N-O 2.9Å; S521-G525 WeakPolarHBondContact O-CA 3.41Å; S521-G525 PolarHBondContact O-N 3.07Å |
| 522 | E | 84.1 | Confident | 87.8 | Confident | 184 Ų | 184 | 54.7 Ų | 54.7 | 86% | 0.86 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -32.8 | 176.6 | -63.8 | -167.9 | 164.9 | 0 | 0 | 112.1 | E480 | E480-E522 PolarHBondContact OE2-N 3.29Š|
| 523 | L | 81.9 | Confident | 87.7 | Confident | 127 Ų | 127 | 54 Ų | 54 | 67% | 0.665 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -20.6 | -178.6 | -67.9 | 172.6 | 0 | 0 | 0 | 114.4 | S521 | S521-L523 PolarHBondContact O-N 2.87Å; S521-L523 PolarHBondContact OG-N 3.27Å |
| 524 | R | 81.9 | Confident | 87.7 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | -13.6 | -166.2 | -89.6 | -75 | 149.8 | 142.8 | 1.5 | 115.6 | Y449 T450 I452 S521 | Y449-R524 VanDerWaalsContact CZ-NH1 3.31Å; Y449-R524 PolarHBondContact OH-NH1 3.34Å; Y449-R524 PolarHBondContact OH-NH2 2.85Å; T450-R524 WeakPolarHBondContact O-CD 3.4Å; T450-R524 VanDerWaalsContact O-CG 3.26Å; T450-R524 WeakPolarHBondContact O-CG 3.34Å; T450-R524 PolarHBondContact O-NE 2.95Å; T450-R524 VanDerWaalsContact O-NE 3.15Å; I452-R524 HydrophobicContact CG1-CB 4.29Å; S521-R524 PolarHBondContact O-N 2.85Å |
| 525 | G | 85.8 | Confident | 87.5 | Confident | 33 Ų | 33 | 63 Ų | 63 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.3 | -159.3 | -170 | 0 | 0 | 0 | 0 | 0 | 112.9 | C520 S521 | C520-G525 WeakPolarHBondContact CA-O 3.24Å; S521-G525 PolarHBondContact N-O 2.9Å; S521-G525 WeakPolarHBondContact O-CA 3.41Å; S521-G525 PolarHBondContact O-N 3.07Å |
| 526 | C | 87.3 | Confident | 87.4 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.5 | -167.6 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | T518 P519 C520 H528 | T518-C526 HydrophobicContact CG2-CB 3.85Å; P519-C526 WeakPolarHBondContact O-CA 3.45Å; C520-C526 HydrophobicContact CB-CB 4.06Å; C520-C526 WeakPolarHBondContact CB-SG 3.09Å; C520-C526 WeakPolarHBondContact SG-CB 3.49Å; C520-C526 CovalentContact SG-SG 2.04Å; C520-C526 PolarHBondContact SG-SG 2.88Å; C526-H528 PolarHBondContact O-CD2 2.85Å; C526-H528 PolarHBondContact O-N 2.93Å; C526-H528 VanDerWaalsContact O-N 3.16Å |
| 527 | N | 88 | Confident | 87.2 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 9% | 0.086 | 33% | 0.332 | C | S | . | . | trans | -85.4 | 85.8 | 177.9 | -171.6 | -8.8 | 0 | 0 | 0 | 112 | I452 P453 T518 P519 T529 C530 | I452-N527 HydrophobicContact CD1-CB 4.35Å; I452-N527 HydrophobicContact CG1-CB 4.24Å; I452-N527 HydrophobicContact CG2-CB 4.47Å; P453-N527 WeakPolarHBondContact O-CB 3.46Å; P453-N527 PolarHBondContact O-ND2 3.34Å; T518-N527 WeakPolarHBondContact CG2-O 3.49Å; P519-N527 HydrophobicContact CG-CB 4.31Å; P519-N527 PolarHBondContact O-N 2.95Å; N527-T529 PolarHBondContact O-N 2.83Å; N527-T529 WeakPolarHBondContact OD1-CB 3.32Å; N527-T529 PolarHBondContact OD1-N 3.1Å; N527-T529 VanDerWaalsContact OD1-N 3.15Å; N527-T529 PolarHBondContact OD1-OG1 3.02Å; N527-C530 PolarHBondContact O-SG 2.95Å | ||
| 528 | H | 84.4 | Confident | 87 | Confident | 139 Ų | 139 | 64.3 Ų | 64.3 | 64% | 0.644 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 11 | 179.6 | -57.2 | -68.5 | 0 | 0 | 0 | 115.2 | C526 | C526-H528 PolarHBondContact O-CD2 2.85Å; C526-H528 PolarHBondContact O-N 2.93Å; C526-H528 VanDerWaalsContact O-N 3.16Å |
| 529 | T | 85.7 | Confident | 86.9 | Confident | 113 Ų | 113 | 64 Ų | 64 | 69% | 0.693 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -2.3 | 177.3 | 68.7 | 0 | 0 | 0 | 0 | 114 | N527 | N527-T529 PolarHBondContact O-N 2.83Å; N527-T529 WeakPolarHBondContact OD1-CB 3.32Å; N527-T529 PolarHBondContact OD1-N 3.1Å; N527-T529 VanDerWaalsContact OD1-N 3.15Å; N527-T529 PolarHBondContact OD1-OG1 3.02Å |
| 530 | C | 87.4 | Confident | 86.8 | Confident | 14 Ų | 14 | 65 Ų | 65 | 10% | 0.095 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 140.9 | -174 | -53.9 | 0 | 0 | 0 | 0 | 113.2 | C455 T516 P519 N527 | C455-C530 VanDerWaalsContact CA-SG 3.51Å; C455-C530 HydrophobicContact CB-CB 3.81Å; C455-C530 WeakPolarHBondContact CB-SG 3.46Å; C455-C530 WeakPolarHBondContact SG-CA 3.42Å; C455-C530 WeakPolarHBondContact SG-CB 3.39Å; C455-C530 PolarHBondContact SG-N 2.7Å; C455-C530 CovalentContact SG-SG 2.04Å; C455-C530 PolarHBondContact SG-SG 2.71Å; T516-C530 HydrophobicContact CG2-CB 4.4Å; P519-C530 VanDerWaalsContact CD-SG 3.59Å; N527-C530 PolarHBondContact O-SG 2.95Å |
| 531 | T | 87 | Confident | 86.7 | Confident | 126 Ų | 126 | 66.8 Ų | 66.8 | 77% | 0.773 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 132.7 | -173.7 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 532 | P | 88.2 | Confident | 86.8 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -71 | 135.8 | 176.3 | 26.5 | -33.2 | 0 | 0 | 0 | 112.6 | S514 V515 | S514-P532 VanDerWaalsContact OG-CB 3.28Å; S514-P532 WeakPolarHBondContact OG-CB 3.47Å; V515-P532 CarbonylContact O-C 3.57Å; V515-P532 WeakPolarHBondContact O-CA 3.17Å |
| 533 | H | 86.1 | Confident | 87 | Confident | 84 Ų | 84 | 63 Ų | 63 | 39% | 0.389 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 134.9 | 170.2 | -163.8 | 87.3 | 0 | 0 | 0 | 110.4 | S514 V515 | S514-H533 CarbonylContact C-O 3.6Å; V515-H533 PolarHBondContact N-O 3.21Å; V515-H533 PolarHBondContact O-N 2.87Å |
| 534 | R | 87.9 | Confident | 87.3 | Confident | 188 Ų | 188 | 57.1 Ų | 57.1 | 71% | 0.709 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.9 | -178.4 | -68.1 | -174.9 | 179.1 | -171.3 | -0.3 | 110.9 | L512 Y513 | L512-R534 HydrophobicContact CD1-CB 4.38Å; Y513-R534 WeakPolarHBondContact O-CA 3.31Å |
| 535 | Q | 86.5 | Confident | 87.5 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.1 | -179.3 | -177.7 | 58.7 | 54.1 | 0 | 0 | 111.1 | V461 L469 Y513 | V461-Q535 HydrophobicContact CB-CG 4.48Å; V461-Q535 HydrophobicContact CG1-CG 4.21Å; V461-Q535 HydrophobicContact CG2-CB 4.31Å; V461-Q535 HydrophobicContact CG2-CG 4.09Å; L469-Q535 HydrophobicContact CD1-CG 4.23Å; L469-Q535 HydrophobicContact CD2-CG 3.84Å; Y513-Q535 PolarHBondContact N-O 3.07Å; Y513-Q535 PolarHBondContact O-N 3.12Å |
| 536 | E | 86.8 | Confident | 87.6 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 29% | 0.29 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 141.2 | 172.1 | -166.8 | 178.9 | -173.9 | 0 | 0 | 109.9 | S511 L512 V610 | S511-E536 WeakPolarHBondContact O-CA 3.36Å; L512-E536 HydrophobicContact CD1-CB 4.23Å; E536-V610 HydrophobicContact CB-CG2 4.29Å; E536-V610 WeakPolarHBondContact O-CG1 3.39Å |
| 537 | T | 88.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 162.8 | 172.9 | 52.2 | 0 | 0 | 0 | 0 | 112 | L469 L507 T508 C509 N510 S511 Y513 | L469-T537 HydrophobicContact CD1-CG2 4.25Å; L469-T537 HydrophobicContact CG-CG2 4.31Å; L507-T537 HydrophobicContact CB-CG2 4.02Å; L507-T537 HydrophobicContact CD1-CG2 4.21Å; T508-T537 PolarHBondContact O-OG1 2.82Å; C509-T537 WeakPolarHBondContact CA-OG1 3.14Å; N510-T537 PolarHBondContact N-OG1 3.15Å; N510-T537 VanDerWaalsContact N-OG1 3.09Å; S511-T537 PolarHBondContact N-OG1 3.48Å; S511-T537 PolarHBondContact O-N 2.95Å; S511-T537 PolarHBondContact O-OG1 2.93Å; Y513-T537 HydrophobicContact CD2-CG2 3.93Å; Y513-T537 HydrophobicContact CE2-CG2 3.92Å |
| 538 | A | 87.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -63 | 154.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V464 S465 T466 N510 | V464-A538 HydrophobicContact CG1-CB 4.43Å; S465-A538 VanDerWaalsContact O-CB 3.3Å; S465-A538 WeakPolarHBondContact O-CB 3.4Å; S465-A538 PolarHBondContact O-N 3.46Å; T466-A538 HydrophobicContact CG2-CB 4.06Å; N510-A538 PolarHBondContact N-O 3.43Å |
| 539 | P | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.9 | -175.8 | 26.5 | -35.3 | 0 | 0 | 0 | 112.4 | T466 N563 A606 T608 S613 | T466-P539 VanDerWaalsContact CG2-O 3.27Å; T466-P539 WeakPolarHBondContact CG2-O 3.28Å; P539-N563 HydrophobicContact CB-CB 4.39Å; P539-A606 HydrophobicContact CB-CB 3.99Å; P539-A606 HydrophobicContact CG-CB 4.09Å; P539-T608 HydrophobicContact CB-CG2 3.91Å; P539-T608 HydrophobicContact CG-CG2 3.95Å; P539-S613 WeakPolarHBondContact O-CA 3.24Å; P539-S613 WeakPolarHBondContact O-CB 3.38Å |
| 540 | C | 89.7 | Confident | 87.3 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 143.6 | 173.4 | -56.8 | 0 | 0 | 0 | 0 | 112 | C509 P562 N563 | C509-C540 HydrophobicContact CB-CB 3.9Å; C509-C540 WeakPolarHBondContact CB-SG 3.34Å; C509-C540 WeakPolarHBondContact SG-CA 3.47Å; C509-C540 WeakPolarHBondContact SG-CB 3.38Å; C509-C540 CovalentContact SG-SG 2.03Å; C509-C540 PolarHBondContact SG-SG 3.01Å; C540-P562 HydrophobicContact CB-CB 4.33Å; C540-P562 HydrophobicContact CB-CG 3.89Å; C540-N563 WeakPolarHBondContact CA-OD1 3.39Å; C540-N563 VanDerWaalsContact CB-OD1 3.29Å; C540-N563 WeakPolarHBondContact CB-OD1 3.34Å; C540-N563 PolarHBondContact N-OD1 2.88Å; C540-N563 PolarHBondContact O-ND2 3.21Å |
| 541 | A | 88.5 | Confident | 86.9 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 37% | 0.372 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -66 | 130.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L614 | A541-L614 WeakPolarHBondContact CB-O 3.2Š|
| 542 | P | 90.1 | Very high | 86.2 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 144.8 | 175.6 | 32.2 | -35.8 | 0 | 0 | 0 | 111.4 | Y569 A604 | P542-Y569 HydrophobicContact CB-CD1 3.83Å; P542-Y569 HydrophobicContact CB-CE1 3.97Å; P542-Y569 HydrophobicContact CG-CD1 3.98Å; P542-Y569 HydrophobicContact CG-CE1 4.44Å; P542-A604 HydrophobicContact CB-CB 4.38Å; P542-A604 HydrophobicContact CG-CB 3.65Å |
| 543 | E | 88.2 | Confident | 85.8 | Confident | 111 Ų | 111 | 59.2 Ų | 59.2 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 136.3 | 175.6 | -165.2 | -168.8 | 165.1 | 0 | 0 | 110.4 | L545 I559 S560 | E543-L545 PolarHBondContact O-N 2.97Å; E543-I559 CarbonylContact O-C 3.51Å; E543-I559 VanDerWaalsContact O-CA 3.24Å; E543-I559 WeakPolarHBondContact O-CA 3.37Å; E543-S560 WeakPolarHBondContact CB-OG 3.44Å; E543-S560 PolarHBondContact N-OG 2.87Å; E543-S560 PolarHBondContact O-N 2.84Å |
| 544 | I | 89.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 109.5 | 173.3 | -60.3 | 168.8 | 0 | 0 | 0 | 108.6 | M547 V557 V602 A604 K619 | I544-M547 HydrophobicContact CG2-CG 4.05Å; I544-M547 HydrophobicContact CG2-SD 4.32Å; I544-V557 HydrophobicContact CG2-CG1 3.85Å; I544-V602 HydrophobicContact CD1-CB 4.15Å; I544-V602 HydrophobicContact CD1-CG1 3.9Å; I544-V602 WeakPolarHBondContact CD1-O 3.45Å; I544-A604 HydrophobicContact CD1-CB 4.47Å; I544-A604 HydrophobicContact CG1-CB 4.07Å; I544-K619 HydrophobicContact CB-CD 4.13Å; I544-K619 HydrophobicContact CB-CG 4.48Å; I544-K619 HydrophobicContact CG2-CD 4.07Å; I544-K619 WeakPolarHBondContact O-CD 3.4Å; I544-K619 VanDerWaalsContact O-CE 3.25Å; I544-K619 WeakPolarHBondContact O-CE 3.13Å; I544-K619 PolarHBondContact O-NZ 3.11Å |
| 545 | L | 87 | Confident | 85.8 | Confident | 86 Ų | 86 | 47.5 Ų | 47.5 | 45% | 0.45 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -52.1 | -177.2 | -63 | 175.1 | 0 | 0 | 0 | 111.7 | E543 L558 | E543-L545 PolarHBondContact O-N 2.97Å; L545-L558 HydrophobicContact CB-CD2 4.13Å; L545-L558 HydrophobicContact CB-CG 4.48Å; L545-L558 HydrophobicContact CD1-CD2 4.19Å; L545-L558 HydrophobicContact CD1-CG 4.49Å; L545-L558 PolarHBondContact N-O 3.1Å |
| 546 | N | 86.4 | Confident | 86 | Confident | 92 Ų | 92 | 49.2 Ų | 49.2 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.7 | -175.8 | -164 | 3.2 | 0 | 0 | 0 | 111.5 | L558 | N546-L558 HydrophobicContact CB-CB 4.36Å; N546-L558 PolarHBondContact N-O 2.88Å; N546-L558 PolarHBondContact O-N 2.98Å |
| 547 | M | 88.1 | Confident | 86.2 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 115.6 | 176.4 | -63.9 | -175.3 | -71.7 | 0 | 0 | 109.3 | I544 K556 V557 V602 K619 T620 L621 | I544-M547 HydrophobicContact CG2-CG 4.05Å; I544-M547 HydrophobicContact CG2-SD 4.32Å; M547-K556 WeakPolarHBondContact CA-O 3.32Å; M547-V557 HydrophobicContact CG-CG1 4.17Å; M547-V557 HydrophobicContact CG-CG2 4.18Å; M547-V557 HydrophobicContact SD-CG2 4.47Å; M547-V602 HydrophobicContact SD-CB 3.98Å; M547-V602 HydrophobicContact SD-CG1 4.21Å; M547-V602 HydrophobicContact SD-CG2 3.75Å; M547-K619 HydrophobicContact CE-CB 3.75Å; M547-T620 VanDerWaalsContact CE-O 3.29Å; M547-T620 WeakPolarHBondContact CE-O 3.15Å; M547-L621 HydrophobicContact CB-CD1 4.31Å; M547-L621 HydrophobicContact CE-CB 4.13Å; M547-L621 HydrophobicContact CE-CD1 4.4Å; M547-L621 HydrophobicContact SD-CB 4.2Å; M547-L621 HydrophobicContact SD-CD1 4.32Å; M547-L621 HydrophobicContact SD-CD2 4.45Å |
| 548 | T | 86 | Confident | 86.3 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.1 | -176.9 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | T550 Y555 K556 | T548-T550 PolarHBondContact O-N 2.99Å; T548-Y555 WeakPolarHBondContact O-CA 3.42Å; T548-K556 PolarHBondContact N-O 2.68Å; T548-K556 PolarHBondContact O-N 3.39Å |
| 549 | Q | 83.9 | Confident | 86.5 | Confident | 91 Ų | 91 | 49.3 Ų | 49.3 | 43% | 0.425 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 123.5 | 174 | -169.3 | 171.1 | 12.7 | 0 | 0 | 109.7 | T551 Y555 | Q549-T551 WeakPolarHBondContact CG-O 3.28Å; Q549-T551 PolarHBondContact NE2-O 2.95Å; Q549-Y555 HydrophobicContact CB-CD1 3.93Å; Q549-Y555 HydrophobicContact CB-CE1 3.55Å; Q549-Y555 HydrophobicContact CG-CD1 4.32Å; Q549-Y555 HydrophobicContact CG-CE1 3.8Å; Q549-Y555 HydrophobicContact CG-CE2 4.22Å; Q549-Y555 PolarHBondContact NE2-OH 2.05Å |
| 550 | T | 81.1 | Confident | 86.4 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | trans | -104.9 | -35.6 | 179.4 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | T548 T554 | T548-T550 PolarHBondContact O-N 2.99Å; T550-T554 PolarHBondContact N-O 3.06Å | ||
| 551 | T | 78.9 | Confident | 86.3 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -139.8 | -177.3 | 169.9 | 72.5 | 0 | 0 | 0 | 0 | 110.4 | Q549 S553 T554 | Q549-T551 WeakPolarHBondContact CG-O 3.28Å; Q549-T551 PolarHBondContact NE2-O 2.95Å; T551-S553 PolarHBondContact O-N 3.47Å; T551-S553 PolarHBondContact OG1-N 2.98Å; T551-T554 WeakPolarHBondContact CB-OG1 3.42Å; T551-T554 WeakPolarHBondContact CG2-OG1 3.42Å; T551-T554 PolarHBondContact N-O 2.72Å; T551-T554 PolarHBondContact N-OG1 2.9Å; T551-T554 WeakPolarHBondContact OG1-CB 3.32Å; T551-T554 WeakPolarHBondContact OG1-CG2 3.46Å; T551-T554 PolarHBondContact OG1-N 2.83Å; T551-T554 VanDerWaalsContact OG1-N 3.11Å; T551-T554 PolarHBondContact OG1-OG1 2.87Å |
| 552 | N | 73 | Confident | 85.9 | Confident | 133 Ų | 133 | 54.4 Ų | 54.4 | 71% | 0.711 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -61.4 | -20.1 | 176 | 64.9 | -10.2 | 0 | 0 | 0 | 114.4 | ||
| 553 | S | 80.5 | Confident | 85.7 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -133.4 | 9.3 | -177.4 | 60.8 | 0 | 0 | 0 | 0 | 114 | T551 T592 Q593 L594 | T551-S553 PolarHBondContact O-N 3.47Å; T551-S553 PolarHBondContact OG1-N 2.98Å; S553-T592 CarbonylContact O-C 3.5Å; S553-Q593 PolarHBondContact O-N 2.71Å; S553-L594 PolarHBondContact O-N 3.46Å; S553-L594 VanDerWaalsContact O-N 3.08Å |
| 554 | T | 85 | Confident | 85.3 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | trans | -130.1 | 134 | 178.3 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | T550 T551 L591 T592 | T550-T554 PolarHBondContact N-O 3.06Å; T551-T554 WeakPolarHBondContact CB-OG1 3.42Å; T551-T554 WeakPolarHBondContact CG2-OG1 3.42Å; T551-T554 PolarHBondContact N-O 2.72Å; T551-T554 PolarHBondContact N-OG1 2.9Å; T551-T554 WeakPolarHBondContact OG1-CB 3.32Å; T551-T554 WeakPolarHBondContact OG1-CG2 3.46Å; T551-T554 PolarHBondContact OG1-N 2.83Å; T551-T554 VanDerWaalsContact OG1-N 3.11Å; T551-T554 PolarHBondContact OG1-OG1 2.87Å; T554-L591 VanDerWaalsContact CA-O 3.28Å; T554-L591 WeakPolarHBondContact CA-O 3.34Å; T554-T592 HydrophobicContact CG2-CG2 3.72Å | ||
| 555 | Y | 88.9 | Confident | 84.6 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.8 | -179 | -75.4 | -97.8 | 0 | 0 | 0 | 109.9 | T548 Q549 L591 L594 L621 E622 T623 | T548-Y555 WeakPolarHBondContact O-CA 3.42Å; Q549-Y555 HydrophobicContact CB-CD1 3.93Å; Q549-Y555 HydrophobicContact CB-CE1 3.55Å; Q549-Y555 HydrophobicContact CG-CD1 4.32Å; Q549-Y555 HydrophobicContact CG-CE1 3.8Å; Q549-Y555 HydrophobicContact CG-CE2 4.22Å; Q549-Y555 PolarHBondContact NE2-OH 2.05Å; Y555-L591 PolarHBondContact N-O 2.93Å; Y555-L591 PolarHBondContact O-N 2.85Å; Y555-L594 HydrophobicContact CD2-CD2 4.03Å; Y555-L621 HydrophobicContact CD1-CD1 3.65Å; Y555-L621 HydrophobicContact CD1-CD2 4.26Å; Y555-L621 HydrophobicContact CD1-CG 4.44Å; Y555-L621 HydrophobicContact CD2-CD2 4.45Å; Y555-L621 HydrophobicContact CE1-CD1 3.76Å; Y555-L621 HydrophobicContact CG-CD1 4.28Å; Y555-L621 HydrophobicContact CG-CD2 4.05Å; Y555-E622 PolarHBondContact OH-O 2.89Å; Y555-T623 HydrophobicContact CE2-CG2 4.04Å; Y555-T623 WeakPolarHBondContact OH-CA 3.47Å |
| 556 | K | 89.6 | Confident | 84.3 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.4 | 177.4 | -175.8 | 167.9 | -175.4 | 160.8 | 0 | 109.3 | M547 T548 S588 E590 | M547-K556 WeakPolarHBondContact CA-O 3.32Å; T548-K556 PolarHBondContact N-O 2.68Å; T548-K556 PolarHBondContact O-N 3.39Å; K556-S588 WeakPolarHBondContact CE-OG 3.08Å; K556-E590 HydrophobicContact CB-CG 4.15Å; K556-E590 HydrophobicContact CD-CG 4.48Å; K556-E590 HydrophobicContact CG-CG 4.13Å |
| 557 | V | 91.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.4 | 177.1 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | I544 M547 I559 I571 S588 C589 L591 V602 | I544-V557 HydrophobicContact CG2-CG1 3.85Å; M547-V557 HydrophobicContact CG-CG1 4.17Å; M547-V557 HydrophobicContact CG-CG2 4.18Å; M547-V557 HydrophobicContact SD-CG2 4.47Å; V557-I559 HydrophobicContact CG1-CG2 4.1Å; V557-I571 HydrophobicContact CB-CG2 4.37Å; V557-I571 HydrophobicContact CG1-CG1 4.45Å; V557-I571 HydrophobicContact CG1-CG2 4.21Å; V557-I571 HydrophobicContact CG2-CG2 4.2Å; V557-S588 CarbonylContact O-C 3.53Å; V557-S588 WeakPolarHBondContact O-CA 3.43Å; V557-C589 PolarHBondContact N-O 3.49Å; V557-C589 PolarHBondContact O-N 2.95Å; V557-L591 HydrophobicContact CG2-CD1 3.61Å; V557-L591 HydrophobicContact CG2-CG 4.1Å; V557-V602 HydrophobicContact CG2-CG1 4.47Å |
| 558 | L | 91 | Very high | 84.3 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 33% | 0.33 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.3 | 173.4 | -165.7 | 82.6 | 0 | 0 | 0 | 108.7 | L545 N546 N587 | L545-L558 HydrophobicContact CB-CD2 4.13Å; L545-L558 HydrophobicContact CB-CG 4.48Å; L545-L558 HydrophobicContact CD1-CD2 4.19Å; L545-L558 HydrophobicContact CD1-CG 4.49Å; L545-L558 PolarHBondContact N-O 3.1Å; N546-L558 HydrophobicContact CB-CB 4.36Å; N546-L558 PolarHBondContact N-O 2.88Å; N546-L558 PolarHBondContact O-N 2.98Å; L558-N587 WeakPolarHBondContact CA-O 3.49Å; L558-N587 WeakPolarHBondContact CD1-O 3.35Å |
| 559 | I | 90.5 | Very high | 84.5 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 155.6 | -176.6 | 61.2 | 169 | 0 | 0 | 0 | 111.9 | E543 V557 T561 Y569 I571 N587 A604 | E543-I559 CarbonylContact O-C 3.51Å; E543-I559 VanDerWaalsContact O-CA 3.24Å; E543-I559 WeakPolarHBondContact O-CA 3.37Å; V557-I559 HydrophobicContact CG1-CG2 4.1Å; I559-T561 HydrophobicContact CG1-CG2 4.49Å; I559-Y569 VanDerWaalsContact CD1-CB 3.41Å; I559-Y569 HydrophobicContact CD1-CD1 3.78Å; I559-Y569 HydrophobicContact CD1-CD2 4.03Å; I559-Y569 HydrophobicContact CD1-CG 3.46Å; I559-Y569 VanDerWaalsContact CD1-CG 3.46Å; I559-I571 HydrophobicContact CD1-CD1 4.15Å; I559-I571 HydrophobicContact CG2-CD1 4.47Å; I559-I571 HydrophobicContact CG2-CG1 4.17Å; I559-N587 PolarHBondContact N-O 3.19Å; I559-A604 HydrophobicContact CG2-CB 4.37Å |
| 560 | S | 88.6 | Confident | 84.8 | Confident | 32 Ų | 32 | 50 Ų | 50 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | trans | -73.1 | 150.3 | 163.6 | 72.7 | 0 | 0 | 0 | 0 | 110.6 | E543 P562 | E543-S560 WeakPolarHBondContact CB-OG 3.44Å; E543-S560 PolarHBondContact N-OG 2.87Å; E543-S560 PolarHBondContact O-N 2.84Å; S560-P562 VanDerWaalsContact C-CD 3.47Å; S560-P562 WeakPolarHBondContact O-CD 3.25Å | ||
| 561 | T | 85.9 | Confident | 85.3 | Confident | 71 Ų | 71 | 46.3 Ų | 46.3 | 44% | 0.436 | 27% | 0.269 | S | S | . | . | trans | -126.5 | 70.3 | -179.6 | 55 | 0 | 0 | 0 | 0 | 110.5 | I559 N563 Y569 N587 | I559-T561 HydrophobicContact CG1-CG2 4.49Å; T561-N563 VanDerWaalsContact C-N 3.27Å; T561-N563 PolarHBondContact O-N 2.83Å; T561-Y569 WeakPolarHBondContact CA-OH 3.4Å; T561-Y569 HydrophobicContact CG2-CD2 4.4Å; T561-Y569 HydrophobicContact CG2-CE2 3.78Å; T561-N587 HydrophobicContact CG2-CB 3.91Å | ||
| 562 | P | 81.6 | Confident | 85.9 | Confident | 70 Ų | 70 | 43.5 Ų | 43.5 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | trans | -76.7 | -9.6 | -174.4 | 31.9 | -36.8 | 0 | 0 | 0 | 114.3 | C540 S560 | C540-P562 HydrophobicContact CB-CB 4.33Å; C540-P562 HydrophobicContact CB-CG 3.89Å; S560-P562 VanDerWaalsContact C-CD 3.47Å; S560-P562 WeakPolarHBondContact O-CD 3.25Å | ||
| 563 | N | 85.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -98.9 | 172.2 | -170.7 | -58.4 | -59.1 | 0 | 0 | 0 | 113.4 | N510 P539 C540 T561 T567 A606 | N510-N563 WeakPolarHBondContact CB-OD1 3.39Å; P539-N563 HydrophobicContact CB-CB 4.39Å; C540-N563 WeakPolarHBondContact CA-OD1 3.39Å; C540-N563 VanDerWaalsContact CB-OD1 3.29Å; C540-N563 WeakPolarHBondContact CB-OD1 3.34Å; C540-N563 PolarHBondContact N-OD1 2.88Å; C540-N563 PolarHBondContact O-ND2 3.21Å; T561-N563 VanDerWaalsContact C-N 3.27Å; T561-N563 PolarHBondContact O-N 2.83Å; N563-T567 HydrophobicContact CB-CG2 3.98Å; N563-T567 WeakPolarHBondContact CB-OG1 3.19Å; N563-A606 WeakPolarHBondContact ND2-CB 3.26Å |
| 564 | S | 79.7 | Confident | 87.1 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | trans | -54.8 | 151.1 | 174.3 | 70.9 | 0 | 0 | 0 | 0 | 113 | N510 N566 T567 | N510-S564 PolarHBondContact OD1-N 3.34Å; S564-N566 PolarHBondContact O-N 3.26Å; S564-T567 VanDerWaalsContact O-CB 3.29Å; S564-T567 WeakPolarHBondContact O-CB 3.43Å; S564-T567 PolarHBondContact O-N 2.83Å; S564-T567 PolarHBondContact O-OG1 2.77Å | ||
| 565 | P | 74.1 | Confident | 87.1 | Confident | 121 Ų | 121 | 37.5 Ų | 37.5 | 79% | 0.786 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -9 | -172.4 | 24.7 | -35.1 | 0 | 0 | 0 | 115.4 | T567 | P565-T567 VanDerWaalsContact C-N 3.3Š|
| 566 | N | 79.6 | Confident | 86.7 | Confident | 124 Ų | 124 | 47 Ų | 47 | 66% | 0.663 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 9 | 174.1 | -75 | -25.3 | 0 | 0 | 0 | 113.6 | S564 | S564-N566 PolarHBondContact O-N 3.26Š|
| 567 | T | 84.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 127.3 | -179.6 | -56 | 0 | 0 | 0 | 0 | 111.9 | N563 S564 P565 Y569 A606 T608 | N563-T567 HydrophobicContact CB-CG2 3.98Å; N563-T567 WeakPolarHBondContact CB-OG1 3.19Å; S564-T567 VanDerWaalsContact O-CB 3.29Å; S564-T567 WeakPolarHBondContact O-CB 3.43Å; S564-T567 PolarHBondContact O-N 2.83Å; S564-T567 PolarHBondContact O-OG1 2.77Å; P565-T567 VanDerWaalsContact C-N 3.3Å; T567-Y569 HydrophobicContact CG2-CD1 4.33Å; T567-Y569 HydrophobicContact CG2-CD2 4.48Å; T567-Y569 HydrophobicContact CG2-CE1 3.88Å; T567-Y569 HydrophobicContact CG2-CE2 4.02Å; T567-A606 HydrophobicContact CG2-CB 3.67Å; T567-T608 HydrophobicContact CG2-CG2 4.26Å; T567-T608 WeakPolarHBondContact OG1-CG2 3.32Å |
| 568 | N | 89.9 | Confident | 85.9 | Confident | 59 Ų | 59 | 55 Ų | 55 | 32% | 0.316 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.9 | 167.5 | -82.6 | -5.7 | 0 | 0 | 0 | 109.5 | R585 S607 | N568-R585 WeakPolarHBondContact OD1-CG 3.14Å; N568-R585 PolarHBondContact OD1-NE 3.45Å; N568-S607 PolarHBondContact N-O 2.91Å; N568-S607 PolarHBondContact O-N 3.17Å |
| 569 | Y | 90.3 | Very high | 85.8 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.9 | 173.5 | -58.2 | -85.1 | 0 | 0 | 0 | 109.9 | P542 I559 T561 T567 Q583 S584 V605 A606 | P542-Y569 HydrophobicContact CB-CD1 3.83Å; P542-Y569 HydrophobicContact CB-CE1 3.97Å; P542-Y569 HydrophobicContact CG-CD1 3.98Å; P542-Y569 HydrophobicContact CG-CE1 4.44Å; I559-Y569 VanDerWaalsContact CD1-CB 3.41Å; I559-Y569 HydrophobicContact CD1-CD1 3.78Å; I559-Y569 HydrophobicContact CD1-CD2 4.03Å; I559-Y569 HydrophobicContact CD1-CG 3.46Å; I559-Y569 VanDerWaalsContact CD1-CG 3.46Å; T561-Y569 WeakPolarHBondContact CA-OH 3.4Å; T561-Y569 HydrophobicContact CG2-CD2 4.4Å; T561-Y569 HydrophobicContact CG2-CE2 3.78Å; T567-Y569 HydrophobicContact CG2-CD1 4.33Å; T567-Y569 HydrophobicContact CG2-CD2 4.48Å; T567-Y569 HydrophobicContact CG2-CE1 3.88Å; T567-Y569 HydrophobicContact CG2-CE2 4.02Å; Y569-Q583 WeakPolarHBondContact O-CA 3.41Å; Y569-S584 WeakPolarHBondContact CB-O 3.1Å; Y569-S584 PolarHBondContact N-O 2.87Å; Y569-S584 PolarHBondContact O-N 2.9Å; Y569-V605 WeakPolarHBondContact CA-O 3.46Å; Y569-A606 HydrophobicContact CD1-CB 3.93Å; Y569-A606 HydrophobicContact CE1-CB 3.87Å |
| 570 | T | 90.4 | Very high | 85.7 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 18% | 0.184 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.1 | 173.9 | -56.3 | 0 | 0 | 0 | 0 | 109 | Q583 V605 | T570-Q583 HydrophobicContact CG2-CG 4.02Å; T570-Q583 PolarHBondContact OG1-NE2 2.68Å; T570-V605 PolarHBondContact N-O 3.02Å; T570-V605 PolarHBondContact O-N 3.23Å |
| 571 | I | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 133.6 | 175 | -61.5 | 65.6 | 0 | 0 | 0 | 107.1 | V557 I559 T581 C582 C589 L591 V602 T603 A604 | V557-I571 HydrophobicContact CB-CG2 4.37Å; V557-I571 HydrophobicContact CG1-CG1 4.45Å; V557-I571 HydrophobicContact CG1-CG2 4.21Å; V557-I571 HydrophobicContact CG2-CG2 4.2Å; I559-I571 HydrophobicContact CD1-CD1 4.15Å; I559-I571 HydrophobicContact CG2-CD1 4.47Å; I559-I571 HydrophobicContact CG2-CG1 4.17Å; I571-T581 VanDerWaalsContact O-CA 3.26Å; I571-T581 WeakPolarHBondContact O-CA 3.41Å; I571-C582 PolarHBondContact N-O 3.08Å; I571-C582 PolarHBondContact O-N 2.65Å; I571-C589 HydrophobicContact CD1-CB 3.58Å; I571-C589 HydrophobicContact CG1-CB 4.07Å; I571-L591 HydrophobicContact CG2-CD1 4.24Å; I571-L591 HydrophobicContact CG2-CD2 4.34Å; I571-L591 HydrophobicContact CG2-CG 4.45Å; I571-V602 HydrophobicContact CG2-CG1 3.62Å; I571-T603 CarbonylContact C-O 3.48Å; I571-T603 WeakPolarHBondContact CA-O 3.28Å; I571-A604 HydrophobicContact CG1-CB 4.33Å |
| 572 | S | 90.6 | Very high | 86.1 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.028 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.8 | 177.5 | -67 | 0 | 0 | 0 | 0 | 110.4 | R579 H580 T581 V602 T603 | S572-R579 PolarHBondContact OG-NH2 2.86Å; S572-H580 WeakPolarHBondContact CA-O 3.18Å; S572-T581 WeakPolarHBondContact OG-CG2 3.05Å; S572-V602 CarbonylContact O-C 3.52Å; S572-V602 WeakPolarHBondContact O-CA 3.37Å; S572-T603 PolarHBondContact N-O 3.4Å; S572-T603 PolarHBondContact O-N 3.46Å; S572-T603 PolarHBondContact O-OG1 3.02Å |
| 573 | A | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 107.8 | 166 | 0 | 0 | 0 | 0 | 0 | 109.1 | R579 H580 L591 Y600 E601 V602 | A573-R579 CarbonylContact O-C 3.54Å; A573-R579 WeakPolarHBondContact O-CA 3.4Å; A573-H580 PolarHBondContact N-O 2.94Å; A573-H580 PolarHBondContact O-N 2.87Å; A573-L591 HydrophobicContact CB-CD1 3.67Å; A573-L591 HydrophobicContact CB-CD2 4.3Å; A573-Y600 HydrophobicContact CB-CD1 3.94Å; A573-Y600 HydrophobicContact CB-CG 4.08Å; A573-E601 WeakPolarHBondContact CA-O 3.46Å; A573-V602 HydrophobicContact CB-CG2 4.06Å |
| 574 | T | 88.7 | Confident | 86.6 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 111.4 | 176.5 | 36.2 | 0 | 0 | 0 | 0 | 110 | R579 E601 | T574-R579 HydrophobicContact CG2-CB 4.2Å; T574-R579 HydrophobicContact CG2-CG 3.69Å; T574-E601 PolarHBondContact N-O 2.54Å; T574-E601 PolarHBondContact O-N 3.13Å; T574-E601 PolarHBondContact OG1-O 2.53Å; T574-E601 VanDerWaalsContact OG1-O 3.07Å |
| 575 | G | 84.9 | Confident | 86.9 | Confident | 23 Ų | 23 | 70 Ų | 70 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | trans | -93.5 | -173.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y577 D578 Y600 | G575-Y577 VanDerWaalsContact C-N 3.31Å; G575-Y577 PolarHBondContact O-N 2.94Å; G575-D578 WeakPolarHBondContact CA-O 3.49Å; G575-D578 PolarHBondContact N-O 2.78Å; G575-Y600 VanDerWaalsContact CA-CD1 3.47Å | ||
| 576 | R | 80.1 | Confident | 87.5 | Confident | 207 Ų | 207 | 69.5 Ų | 69.5 | 78% | 0.781 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -69.3 | -26.9 | -178.9 | -173.2 | 173.8 | 177.9 | 178 | 0.4 | 113.8 | ||
| 577 | Y | 79.4 | Confident | 87.8 | Confident | 194 Ų | 194 | 67.6 Ų | 67.6 | 76% | 0.761 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -132.4 | -12.6 | -173.6 | -58.2 | -64.2 | 0 | 0 | 0 | 113.9 | G575 | G575-Y577 VanDerWaalsContact C-N 3.31Å; G575-Y577 PolarHBondContact O-N 2.94Å |
| 578 | D | 85.4 | Confident | 88 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | trans | -142.1 | 152.9 | -170.4 | 61.1 | -34.2 | 0 | 0 | 0 | 111.2 | G575 H580 Y600 | G575-D578 WeakPolarHBondContact CA-O 3.49Å; G575-D578 PolarHBondContact N-O 2.78Å; D578-H580 IonicContact OD2-CD2 2.65Å; D578-H580 PolarHBondContact OD2-CD2 2.88Å; D578-H580 IonicContact OD2-CE1 2.71Å; D578-H580 IonicContact OD2-NE2 2.7Å; D578-H580 PolarHBondContact OD2-NE2 2.81Å; D578-Y600 PolarHBondContact OD1-OH 2.85Å; D578-Y600 PolarHBondContact OD2-OH 2.87Å | ||
| 579 | R | 88.4 | Confident | 88.1 | Confident | 159 Ų | 159 | 66.2 Ų | 66.2 | 60% | 0.6 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 118.2 | 177.4 | 178.9 | 179.4 | 179.9 | 162.9 | 2.6 | 109.4 | S572 A573 T574 T581 | S572-R579 PolarHBondContact OG-NH2 2.86Å; A573-R579 CarbonylContact O-C 3.54Å; A573-R579 WeakPolarHBondContact O-CA 3.4Å; T574-R579 HydrophobicContact CG2-CB 4.2Å; T574-R579 HydrophobicContact CG2-CG 3.69Å; R579-T581 HydrophobicContact CG-CG2 4.12Å |
| 580 | H | 89.6 | Confident | 88.1 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 17% | 0.167 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.4 | 174.8 | -61.1 | -76.9 | 0 | 0 | 0 | 109.3 | S572 A573 D578 L591 T592 Q593 Y600 | S572-H580 WeakPolarHBondContact CA-O 3.18Å; A573-H580 PolarHBondContact N-O 2.94Å; A573-H580 PolarHBondContact O-N 2.87Å; D578-H580 IonicContact OD2-CD2 2.65Å; D578-H580 PolarHBondContact OD2-CD2 2.88Å; D578-H580 IonicContact OD2-CE1 2.71Å; D578-H580 IonicContact OD2-NE2 2.7Å; D578-H580 PolarHBondContact OD2-NE2 2.81Å; H580-L591 HydrophobicContact CB-CD2 4.44Å; H580-T592 PolarHBondContact ND1-O 2.66Å; H580-Q593 PolarHBondContact CE1-O 2.91Å; H580-Q593 VanDerWaalsContact CE1-O 3.3Å; H580-Y600 AromaticContact CD2-CE1 3.7Å; H580-Y600 AromaticContact CD2-CZ 3.97Å |
| 581 | T | 91.6 | Very high | 88 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.4 | -179.6 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | I571 S572 R579 | I571-T581 VanDerWaalsContact O-CA 3.26Å; I571-T581 WeakPolarHBondContact O-CA 3.41Å; S572-T581 WeakPolarHBondContact OG-CG2 3.05Å; R579-T581 HydrophobicContact CG-CG2 4.12Å |
| 582 | C | 91.1 | Very high | 87.8 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 11% | 0.108 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 154.4 | 170.4 | 75.2 | 0 | 0 | 0 | 0 | 109.9 | I571 C589 E590 L591 | I571-C582 PolarHBondContact N-O 3.08Å; I571-C582 PolarHBondContact O-N 2.65Å; C582-C589 HydrophobicContact CB-CB 4.46Å; C582-C589 WeakPolarHBondContact CB-SG 3.33Å; C582-C589 PolarHBondContact O-SG 2.89Å; C582-C589 VanDerWaalsContact SG-C 3.6Å; C582-C589 WeakPolarHBondContact SG-CB 3.21Å; C582-C589 CovalentContact SG-SG 2.03Å; C582-C589 PolarHBondContact SG-SG 2.87Å; C582-E590 VanDerWaalsContact CB-O 3.23Å; C582-E590 WeakPolarHBondContact CB-O 3.4Å; C582-L591 HydrophobicContact CB-CD2 4.22Å |
| 583 | Q | 90.1 | Very high | 87.5 | Confident | 138 Ų | 138 | 79 Ų | 79 | 65% | 0.645 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.5 | 179.4 | -67.9 | -172.6 | -33.1 | 0 | 0 | 110.6 | Y569 T570 C589 | Y569-Q583 WeakPolarHBondContact O-CA 3.41Å; T570-Q583 HydrophobicContact CG2-CG 4.02Å; T570-Q583 PolarHBondContact OG1-NE2 2.68Å; Q583-C589 PolarHBondContact N-SG 2.9Å; Q583-C589 VanDerWaalsContact N-SG 3.42Å |
| 584 | S | 88.6 | Confident | 87.3 | Confident | 23 Ų | 23 | 79.2 Ų | 79.2 | 16% | 0.161 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 151.8 | -179.7 | -170.9 | 0 | 0 | 0 | 0 | 111 | Y569 N586 S588 | Y569-S584 WeakPolarHBondContact CB-O 3.1Å; Y569-S584 PolarHBondContact N-O 2.87Å; Y569-S584 PolarHBondContact O-N 2.9Å; S584-N586 PolarHBondContact OG-N 2.91Å; S584-N586 VanDerWaalsContact OG-N 3.08Å; S584-N586 PolarHBondContact OG-O 2.81Å; S584-S588 WeakPolarHBondContact CB-O 3.21Å; S584-S588 PolarHBondContact OG-O 2.85Å |
| 585 | R | 85.1 | Confident | 87.1 | Confident | 150 Ų | 150 | 79.8 Ų | 79.8 | 57% | 0.566 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -95.2 | -12.3 | 164.7 | -68.5 | -174.3 | 179.3 | -178.1 | -0.7 | 112.5 | N568 | N568-R585 WeakPolarHBondContact OD1-CG 3.14Å; N568-R585 PolarHBondContact OD1-NE 3.45Å |
| 586 | N | 85.6 | Confident | 87 | Confident | 112 Ų | 112 | 81.2 Ų | 81.2 | 60% | 0.599 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -90.4 | 167 | -179.7 | -62.5 | -15.8 | 0 | 0 | 0 | 110.2 | S584 S588 | S584-N586 PolarHBondContact OG-N 2.91Å; S584-N586 VanDerWaalsContact OG-N 3.08Å; S584-N586 PolarHBondContact OG-O 2.81Å; N586-S588 PolarHBondContact O-N 2.78Å |
| 587 | N | 87.7 | Confident | 86.9 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -65.5 | 7.5 | 173.9 | 71.1 | -9.9 | 0 | 0 | 0 | 115.3 | L558 I559 T561 | L558-N587 WeakPolarHBondContact CA-O 3.49Å; L558-N587 WeakPolarHBondContact CD1-O 3.35Å; I559-N587 PolarHBondContact N-O 3.19Å; T561-N587 HydrophobicContact CG2-CB 3.91Å |
| 588 | S | 88.9 | Confident | 87.2 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.3 | 176.2 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | K556 V557 S584 N586 | K556-S588 WeakPolarHBondContact CE-OG 3.08Å; V557-S588 CarbonylContact O-C 3.53Å; V557-S588 WeakPolarHBondContact O-CA 3.43Å; S584-S588 WeakPolarHBondContact CB-O 3.21Å; S584-S588 PolarHBondContact OG-O 2.85Å; N586-S588 PolarHBondContact O-N 2.78Å |
| 589 | C | 90.8 | Very high | 87.2 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 140 | -176.3 | -164.1 | 0 | 0 | 0 | 0 | 109.6 | V557 I571 C582 Q583 | V557-C589 PolarHBondContact N-O 3.49Å; V557-C589 PolarHBondContact O-N 2.95Å; I571-C589 HydrophobicContact CD1-CB 3.58Å; I571-C589 HydrophobicContact CG1-CB 4.07Å; C582-C589 HydrophobicContact CB-CB 4.46Å; C582-C589 WeakPolarHBondContact CB-SG 3.33Å; C582-C589 PolarHBondContact O-SG 2.89Å; C582-C589 VanDerWaalsContact SG-C 3.6Å; C582-C589 WeakPolarHBondContact SG-CB 3.21Å; C582-C589 CovalentContact SG-SG 2.03Å; C582-C589 PolarHBondContact SG-SG 2.87Å; Q583-C589 PolarHBondContact N-SG 2.9Å; Q583-C589 VanDerWaalsContact N-SG 3.42Å |
| 590 | E | 90.1 | Very high | 87.2 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 115.4 | -177.5 | -68.2 | -176.7 | -173.4 | 0 | 0 | 110.7 | K556 C582 | K556-E590 HydrophobicContact CB-CG 4.15Å; K556-E590 HydrophobicContact CD-CG 4.48Å; K556-E590 HydrophobicContact CG-CG 4.13Å; C582-E590 VanDerWaalsContact CB-O 3.23Å; C582-E590 WeakPolarHBondContact CB-O 3.4Å |
| 591 | L | 89.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 129.1 | 167.8 | -65.1 | 168.6 | 0 | 0 | 0 | 107.5 | T554 Y555 V557 I571 A573 H580 C582 L594 V602 | T554-L591 VanDerWaalsContact CA-O 3.28Å; T554-L591 WeakPolarHBondContact CA-O 3.34Å; Y555-L591 PolarHBondContact N-O 2.93Å; Y555-L591 PolarHBondContact O-N 2.85Å; V557-L591 HydrophobicContact CG2-CD1 3.61Å; V557-L591 HydrophobicContact CG2-CG 4.1Å; I571-L591 HydrophobicContact CG2-CD1 4.24Å; I571-L591 HydrophobicContact CG2-CD2 4.34Å; I571-L591 HydrophobicContact CG2-CG 4.45Å; A573-L591 HydrophobicContact CB-CD1 3.67Å; A573-L591 HydrophobicContact CB-CD2 4.3Å; H580-L591 HydrophobicContact CB-CD2 4.44Å; C582-L591 HydrophobicContact CB-CD2 4.22Å; L591-L594 VanDerWaalsContact C-CD1 3.47Å; L591-L594 HydrophobicContact CB-CD1 3.71Å; L591-L594 WeakPolarHBondContact O-CD1 3.3Å; L591-V602 HydrophobicContact CD1-CG1 4.24Å |
| 592 | T | 87.1 | Confident | 87.2 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | trans | -125.9 | 162.3 | -175.3 | 66.3 | 0 | 0 | 0 | 0 | 111.1 | S553 T554 H580 L594 | S553-T592 CarbonylContact O-C 3.5Å; T554-T592 HydrophobicContact CG2-CG2 3.72Å; H580-T592 PolarHBondContact ND1-O 2.66Å; T592-L594 VanDerWaalsContact C-N 3.33Å; T592-L594 PolarHBondContact O-N 3.45Å | ||
| 593 | Q | 84.3 | Confident | 87.2 | Confident | 150 Ų | 150 | 60 Ų | 60 | 70% | 0.701 | 32% | 0.315 | S | S | * | . | trans | 65.9 | 28.3 | 179.1 | -48.2 | -178.8 | 31.2 | 0 | 0 | 114.7 | S553 H580 P595 | S553-Q593 PolarHBondContact O-N 2.71Å; H580-Q593 PolarHBondContact CE1-O 2.91Å; H580-Q593 VanDerWaalsContact CE1-O 3.3Å; Q593-P595 WeakPolarHBondContact O-CD 3.35Å | ||
| 594 | L | 86.3 | Confident | 87.3 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 116.1 | 176 | -71.5 | 85 | 0 | 0 | 0 | 109.6 | S553 Y555 L591 T592 Y600 L621 T623 | S553-L594 PolarHBondContact O-N 3.46Å; S553-L594 VanDerWaalsContact O-N 3.08Å; Y555-L594 HydrophobicContact CD2-CD2 4.03Å; L591-L594 VanDerWaalsContact C-CD1 3.47Å; L591-L594 HydrophobicContact CB-CD1 3.71Å; L591-L594 WeakPolarHBondContact O-CD1 3.3Å; T592-L594 VanDerWaalsContact C-N 3.33Å; T592-L594 PolarHBondContact O-N 3.45Å; L594-Y600 HydrophobicContact CB-CE2 4.25Å; L594-Y600 HydrophobicContact CD2-CD2 3.76Å; L594-Y600 HydrophobicContact CD2-CE2 3.79Å; L594-Y600 HydrophobicContact CD2-CG 4.41Å; L594-Y600 HydrophobicContact CG-CE2 4.16Å; L594-L621 HydrophobicContact CD2-CD2 3.87Å; L594-T623 HydrophobicContact CB-CG2 4.04Å; L594-T623 HydrophobicContact CD2-CG2 4.2Å |
| 595 | P | 83.9 | Confident | 87.4 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 148.9 | 172.4 | 25.1 | -37 | 0 | 0 | 0 | 112.7 | Q593 T598 Y600 T623 | Q593-P595 WeakPolarHBondContact O-CD 3.35Å; P595-T598 HydrophobicContact CB-CG2 4.42Å; P595-T598 HydrophobicContact CG-CG2 4.01Å; P595-T598 PolarHBondContact O-OG1 2.8Å; P595-Y600 WeakPolarHBondContact CD-OH 3.33Å; P595-Y600 VanDerWaalsContact CG-OH 3.24Å; P595-Y600 WeakPolarHBondContact CG-OH 3.45Å; P595-T623 PolarHBondContact O-OG1 2.97Å |
| 596 | C | 83.6 | Confident | 87.6 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 153.5 | 176.8 | 50.6 | 0 | 0 | 0 | 0 | 113 | T598 G624 C626 | C596-T598 VanDerWaalsContact C-N 3.3Å; C596-T598 PolarHBondContact O-N 3.02Å; C596-G624 CarbonylContact C-O 3.56Å; C596-G624 WeakPolarHBondContact CA-O 3.46Å; C596-G624 WeakPolarHBondContact CB-O 3.19Å; C596-C626 HydrophobicContact CB-CB 4.06Å; C596-C626 WeakPolarHBondContact CB-SG 3.17Å; C596-C626 PolarHBondContact O-SG 2.94Å; C596-C626 WeakPolarHBondContact SG-CA 3.39Å; C596-C626 WeakPolarHBondContact SG-CB 3.46Å; C596-C626 CovalentContact SG-SG 2.03Å; C596-C626 PolarHBondContact SG-SG 2.96Å |
| 597 | G | 78.7 | Confident | 87.7 | Confident | 24 Ų | 24 | 43 Ų | 43 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 20.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | T623 G624 T649 | G597-T623 PolarHBondContact N-OG1 3.27Å; G597-T623 VanDerWaalsContact N-OG1 3.12Å; G597-G624 PolarHBondContact N-O 2.9Å; G597-T649 WeakPolarHBondContact CA-O 3.19Å |
| 598 | T | 84.9 | Confident | 87.6 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 26% | 0.258 | 23% | 0.229 | S | C | . | . | trans | -114.7 | 156 | 178 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | P595 C596 Y600 T623 | P595-T598 HydrophobicContact CB-CG2 4.42Å; P595-T598 HydrophobicContact CG-CG2 4.01Å; P595-T598 PolarHBondContact O-OG1 2.8Å; C596-T598 VanDerWaalsContact C-N 3.3Å; C596-T598 PolarHBondContact O-N 3.02Å; T598-Y600 WeakPolarHBondContact OG1-CE2 3.49Å; T598-Y600 PolarHBondContact OG1-OH 3.44Å; T598-T623 PolarHBondContact N-OG1 2.81Å; T598-T623 PolarHBondContact O-N 3.44Å; T598-T623 PolarHBondContact O-OG1 2.81Å; T598-T623 PolarHBondContact OG1-OG1 2.86Å | ||
| 599 | I | 85.9 | Confident | 87.3 | Confident | 112 Ų | 112 | 44.7 Ų | 44.7 | 57% | 0.574 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.6 | 177.9 | -57.4 | 169.8 | 0 | 0 | 0 | 108.2 | L621 E622 | I599-L621 WeakPolarHBondContact CA-O 3.37Å; I599-E622 HydrophobicContact CG1-CG 4.34Å |
| 600 | Y | 87.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.7 | 177.2 | -65.5 | -86.8 | 0 | 0 | 0 | 111.6 | A573 G575 D578 H580 L594 P595 T598 T620 L621 T623 | A573-Y600 HydrophobicContact CB-CD1 3.94Å; A573-Y600 HydrophobicContact CB-CG 4.08Å; G575-Y600 VanDerWaalsContact CA-CD1 3.47Å; D578-Y600 PolarHBondContact OD1-OH 2.85Å; D578-Y600 PolarHBondContact OD2-OH 2.87Å; H580-Y600 AromaticContact CD2-CE1 3.7Å; H580-Y600 AromaticContact CD2-CZ 3.97Å; L594-Y600 HydrophobicContact CB-CE2 4.25Å; L594-Y600 HydrophobicContact CD2-CD2 3.76Å; L594-Y600 HydrophobicContact CD2-CE2 3.79Å; L594-Y600 HydrophobicContact CD2-CG 4.41Å; L594-Y600 HydrophobicContact CG-CE2 4.16Å; P595-Y600 WeakPolarHBondContact CD-OH 3.33Å; P595-Y600 VanDerWaalsContact CG-OH 3.24Å; P595-Y600 WeakPolarHBondContact CG-OH 3.45Å; T598-Y600 WeakPolarHBondContact OG1-CE2 3.49Å; T598-Y600 PolarHBondContact OG1-OH 3.44Å; Y600-T620 WeakPolarHBondContact O-CA 3.34Å; Y600-L621 PolarHBondContact N-O 2.73Å; Y600-L621 PolarHBondContact O-N 2.71Å; Y600-T623 HydrophobicContact CD2-CG2 4.18Å; Y600-T623 HydrophobicContact CE2-CG2 3.93Å |
| 601 | E | 90.4 | Very high | 86.6 | Confident | 94 Ų | 94 | 43.3 Ų | 43.3 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 117.7 | 161.8 | -174.3 | 173.2 | -164.4 | 0 | 0 | 108.5 | A573 T574 S618 | A573-E601 WeakPolarHBondContact CA-O 3.46Å; T574-E601 PolarHBondContact N-O 2.54Å; T574-E601 PolarHBondContact O-N 3.13Å; T574-E601 PolarHBondContact OG1-O 2.53Å; T574-E601 VanDerWaalsContact OG1-O 3.07Å; E601-S618 VanDerWaalsContact CG-CB 3.44Å; E601-S618 WeakPolarHBondContact OE1-CB 3.49Å; E601-S618 PolarHBondContact OE1-OG 2.92Å |
| 602 | V | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125 | -176.6 | -169 | 0 | 0 | 0 | 0 | 109.8 | I544 M547 V557 I571 S572 A573 L591 S618 K619 L621 | I544-V602 HydrophobicContact CD1-CB 4.15Å; I544-V602 HydrophobicContact CD1-CG1 3.9Å; I544-V602 WeakPolarHBondContact CD1-O 3.45Å; M547-V602 HydrophobicContact SD-CB 3.98Å; M547-V602 HydrophobicContact SD-CG1 4.21Å; M547-V602 HydrophobicContact SD-CG2 3.75Å; V557-V602 HydrophobicContact CG2-CG1 4.47Å; I571-V602 HydrophobicContact CG2-CG1 3.62Å; S572-V602 CarbonylContact O-C 3.52Å; S572-V602 WeakPolarHBondContact O-CA 3.37Å; A573-V602 HydrophobicContact CB-CG2 4.06Å; L591-V602 HydrophobicContact CD1-CG1 4.24Å; V602-S618 CarbonylContact O-C 3.51Å; V602-S618 VanDerWaalsContact O-CA 3.24Å; V602-S618 WeakPolarHBondContact O-CA 3.37Å; V602-K619 WeakPolarHBondContact CB-O 3.48Å; V602-K619 PolarHBondContact N-O 2.77Å; V602-K619 PolarHBondContact O-N 3.47Å; V602-L621 HydrophobicContact CG2-CB 3.74Å; V602-L621 HydrophobicContact CG2-CD2 4.08Å |
| 603 | T | 91.6 | Very high | 86.5 | Confident | 28 Ų | 28 | 47.9 Ų | 47.9 | 17% | 0.172 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 153.7 | 177 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | I571 S572 | I571-T603 CarbonylContact C-O 3.48Å; I571-T603 WeakPolarHBondContact CA-O 3.28Å; S572-T603 PolarHBondContact N-O 3.4Å; S572-T603 PolarHBondContact O-N 3.46Å; S572-T603 PolarHBondContact O-OG1 3.02Å |
| 604 | A | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P542 I544 I559 I571 G616 | P542-A604 HydrophobicContact CB-CB 4.38Å; P542-A604 HydrophobicContact CG-CB 3.65Å; I544-A604 HydrophobicContact CD1-CB 4.47Å; I544-A604 HydrophobicContact CG1-CB 4.07Å; I559-A604 HydrophobicContact CG2-CB 4.37Å; I571-A604 HydrophobicContact CG1-CB 4.33Å; A604-G616 PolarHBondContact O-N 2.84Å |
| 605 | V | 90.8 | Very high | 86.5 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 19% | 0.194 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.4 | -178 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | Y569 T570 K612 P615 | Y569-V605 WeakPolarHBondContact CA-O 3.46Å; T570-V605 PolarHBondContact N-O 3.02Å; T570-V605 PolarHBondContact O-N 3.23Å; V605-K612 HydrophobicContact CG1-CB 4.25Å; V605-P615 HydrophobicContact CG2-CB 4.33Å |
| 606 | A | 90.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 146.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P539 N563 T567 Y569 K612 S613 | P539-A606 HydrophobicContact CB-CB 3.99Å; P539-A606 HydrophobicContact CG-CB 4.09Å; N563-A606 WeakPolarHBondContact ND2-CB 3.26Å; T567-A606 HydrophobicContact CG2-CB 3.67Å; Y569-A606 HydrophobicContact CD1-CB 3.93Å; Y569-A606 HydrophobicContact CE1-CB 3.87Å; A606-K612 CarbonylContact O-C 3.54Å; A606-K612 WeakPolarHBondContact O-CA 3.33Å; A606-S613 PolarHBondContact N-OG 2.82Å; A606-S613 PolarHBondContact O-N 3.01Å |
| 607 | S | 87.9 | Confident | 86.5 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 24% | 0.238 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 129.4 | 177.7 | -163.2 | 0 | 0 | 0 | 0 | 110.7 | N568 | N568-S607 PolarHBondContact N-O 2.91Å; N568-S607 PolarHBondContact O-N 3.17Å |
| 608 | T | 86.3 | Confident | 87 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 17% | 0.172 | 32% | 0.319 | C | S | . | . | trans | -119.5 | -173.2 | 171.9 | 62.1 | 0 | 0 | 0 | 0 | 109.5 | P539 T567 V610 G611 | P539-T608 HydrophobicContact CB-CG2 3.91Å; P539-T608 HydrophobicContact CG-CG2 3.95Å; T567-T608 HydrophobicContact CG2-CG2 4.26Å; T567-T608 WeakPolarHBondContact OG1-CG2 3.32Å; T608-V610 PolarHBondContact O-N 3.21Å; T608-V610 PolarHBondContact OG1-N 2.79Å; T608-G611 PolarHBondContact N-O 2.84Å | ||
| 609 | A | 81.4 | Confident | 87.1 | Confident | 114 Ų | 114 | 58.7 Ų | 58.7 | 94% | 0.942 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -69.6 | -22.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 610 | V | 81.7 | Confident | 87.2 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -80.6 | -37.2 | -178 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | V464 E536 T608 | V464-V610 HydrophobicContact CB-CG1 4.41Å; V464-V610 HydrophobicContact CG1-CG1 3.62Å; E536-V610 HydrophobicContact CB-CG2 4.29Å; E536-V610 WeakPolarHBondContact O-CG1 3.39Å; T608-V610 PolarHBondContact O-N 3.21Å; T608-V610 PolarHBondContact OG1-N 2.79Å |
| 611 | G | 83.8 | Confident | 87.1 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 24% | 0.237 | 33% | 0.332 | C | S | . | . | trans | 172.5 | -161.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T608 | T608-G611 PolarHBondContact N-O 2.84Š| ||
| 612 | K | 86.1 | Confident | 86.9 | Confident | 150 Ų | 150 | 56.8 Ų | 56.8 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | B | Isolated β-bridge | trans | -116.2 | 148.2 | 175.5 | -68.6 | 175.3 | -177.4 | 172.5 | 0 | 109.8 | V605 A606 | V605-K612 HydrophobicContact CG1-CB 4.25Å; A606-K612 CarbonylContact O-C 3.54Å; A606-K612 WeakPolarHBondContact O-CA 3.33Å |
| 613 | S | 88.4 | Confident | 86.5 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 161.8 | 168.6 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | P539 A606 | P539-S613 WeakPolarHBondContact O-CA 3.24Å; P539-S613 WeakPolarHBondContact O-CB 3.38Å; A606-S613 PolarHBondContact N-OG 2.82Å; A606-S613 PolarHBondContact O-N 3.01Å |
| 614 | L | 86 | Confident | 85.9 | Confident | 97 Ų | 97 | 56 Ų | 56 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 153.3 | 156.1 | -64 | 174.5 | 0 | 0 | 0 | 110 | T466 A541 G616 | T466-L614 HydrophobicContact CG2-CG 4.48Å; A541-L614 WeakPolarHBondContact CB-O 3.2Å; L614-G616 PolarHBondContact O-N 3Å |
| 615 | P | 85.2 | Confident | 85.6 | Confident | 89 Ų | 89 | 56.1 Ų | 56.1 | 58% | 0.578 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 128.5 | 172.3 | -19.1 | 32.2 | 0 | 0 | 0 | 110.7 | V605 | V605-P615 HydrophobicContact CG2-CB 4.33Š|
| 616 | G | 82.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 158.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A604 L614 S618 | A604-G616 PolarHBondContact O-N 2.84Å; L614-G616 PolarHBondContact O-N 3Å; G616-S618 PolarHBondContact O-N 3.38Å |
| 617 | Y | 85.4 | Confident | 85 | Confident | 223 Ų | 223 | 58.6 Ų | 58.6 | 88% | 0.875 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 133.5 | 178.6 | -65.8 | -72.9 | 0 | 0 | 0 | 112.1 | ||
| 618 | S | 88.4 | Confident | 84.8 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 147.3 | -177.3 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | E601 V602 G616 | E601-S618 VanDerWaalsContact CG-CB 3.44Å; E601-S618 WeakPolarHBondContact OE1-CB 3.49Å; E601-S618 PolarHBondContact OE1-OG 2.92Å; V602-S618 CarbonylContact O-C 3.51Å; V602-S618 VanDerWaalsContact O-CA 3.24Å; V602-S618 WeakPolarHBondContact O-CA 3.37Å; G616-S618 PolarHBondContact O-N 3.38Å |
| 619 | K | 87.6 | Confident | 84.5 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.5 | 169.2 | -72.3 | -169.2 | 174.9 | 174.8 | 0 | 110.1 | I544 M547 V602 | I544-K619 HydrophobicContact CB-CD 4.13Å; I544-K619 HydrophobicContact CB-CG 4.48Å; I544-K619 HydrophobicContact CG2-CD 4.07Å; I544-K619 WeakPolarHBondContact O-CD 3.4Å; I544-K619 VanDerWaalsContact O-CE 3.25Å; I544-K619 WeakPolarHBondContact O-CE 3.13Å; I544-K619 PolarHBondContact O-NZ 3.11Å; M547-K619 HydrophobicContact CE-CB 3.75Å; V602-K619 WeakPolarHBondContact CB-O 3.48Å; V602-K619 PolarHBondContact N-O 2.77Å; V602-K619 PolarHBondContact O-N 3.47Å |
| 620 | T | 87.7 | Confident | 84.5 | Confident | 113 Ų | 113 | 59.2 Ų | 59.2 | 69% | 0.693 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 142 | 179.1 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | M547 Y600 | M547-T620 VanDerWaalsContact CE-O 3.29Å; M547-T620 WeakPolarHBondContact CE-O 3.15Å; Y600-T620 WeakPolarHBondContact O-CA 3.34Å |
| 621 | L | 86.8 | Confident | 84.5 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 116.1 | 179.3 | 177.7 | 64.5 | 0 | 0 | 0 | 109.6 | M547 Y555 L594 I599 Y600 V602 | M547-L621 HydrophobicContact CB-CD1 4.31Å; M547-L621 HydrophobicContact CE-CB 4.13Å; M547-L621 HydrophobicContact CE-CD1 4.4Å; M547-L621 HydrophobicContact SD-CB 4.2Å; M547-L621 HydrophobicContact SD-CD1 4.32Å; M547-L621 HydrophobicContact SD-CD2 4.45Å; Y555-L621 HydrophobicContact CD1-CD1 3.65Å; Y555-L621 HydrophobicContact CD1-CD2 4.26Å; Y555-L621 HydrophobicContact CD1-CG 4.44Å; Y555-L621 HydrophobicContact CD2-CD2 4.45Å; Y555-L621 HydrophobicContact CE1-CD1 3.76Å; Y555-L621 HydrophobicContact CG-CD1 4.28Å; Y555-L621 HydrophobicContact CG-CD2 4.05Å; L594-L621 HydrophobicContact CD2-CD2 3.87Å; I599-L621 WeakPolarHBondContact CA-O 3.37Å; Y600-L621 PolarHBondContact N-O 2.73Å; Y600-L621 PolarHBondContact O-N 2.71Å; V602-L621 HydrophobicContact CG2-CB 3.74Å; V602-L621 HydrophobicContact CG2-CD2 4.08Å |
| 622 | E | 84.5 | Confident | 84.5 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 20% | 0.201 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133 | 172.9 | -171.7 | -178.3 | 151.3 | 0 | 0 | 110.2 | Y555 I599 S693 T695 | Y555-E622 PolarHBondContact OH-O 2.89Å; I599-E622 HydrophobicContact CG1-CG 4.34Å; E622-S693 WeakPolarHBondContact OE1-CB 3.42Å; E622-S693 PolarHBondContact OE1-OG 2.63Å; E622-T695 PolarHBondContact OE1-OG1 3.41Å; E622-T695 WeakPolarHBondContact OE2-CB 3.4Å; E622-T695 WeakPolarHBondContact OE2-CG2 3.27Å; E622-T695 PolarHBondContact OE2-OG1 2.91Å |
| 623 | T | 83.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -91 | 147.6 | 172.4 | 59 | 0 | 0 | 0 | 0 | 111 | Y555 L594 P595 G597 T598 Y600 | Y555-T623 HydrophobicContact CE2-CG2 4.04Å; Y555-T623 WeakPolarHBondContact OH-CA 3.47Å; L594-T623 HydrophobicContact CB-CG2 4.04Å; L594-T623 HydrophobicContact CD2-CG2 4.2Å; P595-T623 PolarHBondContact O-OG1 2.97Å; G597-T623 PolarHBondContact N-OG1 3.27Å; G597-T623 VanDerWaalsContact N-OG1 3.12Å; T598-T623 PolarHBondContact N-OG1 2.81Å; T598-T623 PolarHBondContact O-N 3.44Å; T598-T623 PolarHBondContact O-OG1 2.81Å; T598-T623 PolarHBondContact OG1-OG1 2.86Å; Y600-T623 HydrophobicContact CD2-CG2 4.18Å; Y600-T623 HydrophobicContact CE2-CG2 3.93Å |
| 624 | G | 79.1 | Confident | 84 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 149.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C596 G597 | C596-G624 CarbonylContact C-O 3.56Å; C596-G624 WeakPolarHBondContact CA-O 3.46Å; C596-G624 WeakPolarHBondContact CB-O 3.19Å; G597-G624 PolarHBondContact N-O 2.9Å |
| 625 | P | 84.8 | Confident | 83.6 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 150.2 | -174.8 | 27.8 | -35.7 | 0 | 0 | 0 | 112.1 | A651 A691 H697 S699 | P625-A651 HydrophobicContact CB-CB 4.02Å; P625-A691 HydrophobicContact CB-CB 4.38Å; P625-A691 HydrophobicContact CG-CB 4.3Å; P625-A691 WeakPolarHBondContact CG-O 3.22Å; P625-H697 WeakPolarHBondContact CD-O 3.35Å; P625-H697 WeakPolarHBondContact CG-O 3.47Å; P625-S699 WeakPolarHBondContact O-CB 3.38Å; P625-S699 PolarHBondContact O-OG 2.85Å |
| 626 | C | 85 | Confident | 83.4 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 14% | 0.135 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 144.9 | 177.5 | -66.2 | 0 | 0 | 0 | 0 | 112.7 | C596 T649 | C596-C626 HydrophobicContact CB-CB 4.06Å; C596-C626 WeakPolarHBondContact CB-SG 3.17Å; C596-C626 PolarHBondContact O-SG 2.94Å; C596-C626 WeakPolarHBondContact SG-CA 3.39Å; C596-C626 WeakPolarHBondContact SG-CB 3.46Å; C596-C626 CovalentContact SG-SG 2.03Å; C596-C626 PolarHBondContact SG-SG 2.96Å; C626-T649 WeakPolarHBondContact CB-OG1 3.35Å; C626-T649 PolarHBondContact N-O 3.01Å; C626-T649 PolarHBondContact SG-OG1 2.8Å |
| 627 | C | 81.8 | Confident | 83.1 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 43% | 0.432 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 137.2 | 169.6 | -77.4 | 0 | 0 | 0 | 0 | 111.8 | S629 C701 | C627-S629 PolarHBondContact O-N 2.86Å; C627-C701 WeakPolarHBondContact CA-SG 3.24Å; C627-C701 HydrophobicContact CB-CB 3.91Å; C627-C701 WeakPolarHBondContact CB-SG 3.46Å; C627-C701 WeakPolarHBondContact SG-CB 3.3Å; C627-C701 CovalentContact SG-SG 2.03Å; C627-C701 PolarHBondContact SG-SG 2.96Å |
| 628 | P | 84.4 | Confident | 82.6 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.032 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 133.7 | 164.9 | -36.3 | 43.8 | 0 | 0 | 0 | 113.3 | W645 S646 Y654 L689 Y703 | P628-W645 HydrophobicContact CB-CB 4.23Å; P628-S646 WeakPolarHBondContact CB-O 3.5Å; P628-S646 WeakPolarHBondContact CG-O 3.37Å; P628-Y654 HydrophobicContact CG-CD1 4.28Å; P628-Y654 HydrophobicContact CG-CE1 3.88Å; P628-L689 HydrophobicContact CB-CD2 4.01Å; P628-L689 HydrophobicContact CG-CD2 3.68Å; P628-Y703 PolarHBondContact O-OH 3.1Å |
| 629 | S | 80.1 | Confident | 82.1 | Confident | 103 Ų | 103 | 51.5 Ų | 51.5 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -78.2 | -31.8 | -176.3 | 61.3 | 0 | 0 | 0 | 0 | 113.4 | C627 S646 | C627-S629 PolarHBondContact O-N 2.86Å; S629-S646 PolarHBondContact N-OG 3.05Å; S629-S646 PolarHBondContact OG-OG 2.8Å |
| 630 | T | 80.3 | Confident | 81.9 | Confident | 82 Ų | 82 | 51 Ų | 51 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | trans | -129.8 | 140.8 | -179.4 | 60 | 0 | 0 | 0 | 0 | 111.5 | W645 S646 | T630-W645 WeakPolarHBondContact O-CA 3.18Å; T630-W645 WeakPolarHBondContact O-CB 3.35Å; T630-S646 PolarHBondContact N-OG 3.05Å; T630-S646 PolarHBondContact O-N 2.71Å; T630-S646 VanDerWaalsContact O-N 3.13Å | ||
| 631 | V | 83.1 | Confident | 81.7 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 122.3 | 173.6 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | L643 T644 W645 V687 L689 Y703 | V631-L643 HydrophobicContact CG1-CD2 4Å; V631-L643 HydrophobicContact CG1-CG 4.27Å; V631-T644 CarbonylContact C-O 3.47Å; V631-T644 WeakPolarHBondContact CA-O 3.23Å; V631-W645 HydrophobicContact CG2-CB 3.96Å; V631-V687 HydrophobicContact CG1-CG1 4.17Å; V631-L689 HydrophobicContact CG2-CD2 4.27Å; V631-Y703 HydrophobicContact CB-CD1 4.05Å; V631-Y703 HydrophobicContact CB-CE1 4.34Å; V631-Y703 HydrophobicContact CB-CG 4.15Å; V631-Y703 HydrophobicContact CG2-CD1 3.61Å; V631-Y703 HydrophobicContact CG2-CD2 3.86Å; V631-Y703 HydrophobicContact CG2-CE1 3.44Å; V631-Y703 VanDerWaalsContact CG2-CE1 3.44Å; V631-Y703 HydrophobicContact CG2-CE2 3.73Å; V631-Y703 HydrophobicContact CG2-CG 3.82Å |
| 632 | N | 83.6 | Confident | 81.7 | Confident | 108 Ų | 108 | 46.9 Ų | 46.9 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.9 | 177.9 | -80.3 | -16.2 | 0 | 0 | 0 | 110.3 | T644 | N632-T644 WeakPolarHBondContact CB-OG1 3.33Å; N632-T644 PolarHBondContact N-O 2.94Å; N632-T644 PolarHBondContact O-N 2.87Å; N632-T644 PolarHBondContact O-OG1 2.77Å; N632-T644 VanDerWaalsContact O-OG1 3.09Å |
| 633 | V | 82.3 | Confident | 81.8 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 21% | 0.212 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.2 | 176.8 | -167.4 | 0 | 0 | 0 | 0 | 109.2 | T641 L643 V687 F706 | V633-T641 HydrophobicContact CG1-CG2 4.22Å; V633-L643 HydrophobicContact CB-CD1 4.44Å; V633-L643 HydrophobicContact CG1-CD1 4.13Å; V633-L643 HydrophobicContact CG2-CD1 3.58Å; V633-L643 HydrophobicContact CG2-CG 4.06Å; V633-V687 HydrophobicContact CG2-CG2 3.85Å; V633-F706 HydrophobicContact CB-CB 4.08Å; V633-F706 HydrophobicContact CB-CD2 3.75Å; V633-F706 HydrophobicContact CB-CE2 4.47Å; V633-F706 HydrophobicContact CB-CG 3.99Å; V633-F706 HydrophobicContact CG1-CB 4.01Å; V633-F706 HydrophobicContact CG1-CD1 4Å; V633-F706 HydrophobicContact CG1-CD2 3.54Å; V633-F706 HydrophobicContact CG1-CE1 4.42Å; V633-F706 HydrophobicContact CG1-CE2 3.99Å; V633-F706 HydrophobicContact CG1-CG 3.55Å; V633-F706 HydrophobicContact CG1-CZ 4.42Å; V633-F706 HydrophobicContact CG2-CB 4.25Å |
| 634 | T | 82.2 | Confident | 82.1 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 44% | 0.436 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.1 | 179.7 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | T641 N642 | T634-T641 CarbonylContact O-C 3.46Å; T634-T641 VanDerWaalsContact O-CA 3.32Å; T634-T641 WeakPolarHBondContact O-CA 3.48Å; T634-N642 PolarHBondContact N-O 3.12Å; T634-N642 PolarHBondContact O-N 3.23Å; T634-N642 PolarHBondContact OG1-O 2.85Å |
| 635 | Q | 77.6 | Confident | 82.5 | Confident | 51 Ų | 51 | 47 Ų | 47 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 124.3 | 178.6 | -163.6 | 174.4 | -19.9 | 0 | 0 | 110.6 | T637 T641 F706 S709 | Q635-T637 VanDerWaalsContact CG-O 3.24Å; Q635-T637 WeakPolarHBondContact CG-O 3.29Å; Q635-T637 PolarHBondContact NE2-O 2.84Å; Q635-T641 HydrophobicContact CB-CG2 4.25Å; Q635-T641 HydrophobicContact CG-CG2 4.16Å; Q635-F706 HydrophobicContact CB-CE2 4.47Å; Q635-F706 HydrophobicContact CB-CZ 4.01Å; Q635-F706 HydrophobicContact CG-CZ 4.41Å; Q635-S709 PolarHBondContact NE2-OG 3.26Å; Q635-S709 PolarHBondContact OE1-OG 2.93Å |
| 636 | V | 80.3 | Confident | 82.7 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -39.2 | -176.6 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | M640 N642 | V636-M640 HydrophobicContact CB-CB 4.45Å; V636-M640 PolarHBondContact N-O 2.81Å; V636-N642 HydrophobicContact CG2-CB 3.91Å |
| 637 | T | 76.9 | Confident | 82.6 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 177.9 | 174.6 | 70 | 0 | 0 | 0 | 0 | 110.7 | Q635 A639 M640 | Q635-T637 VanDerWaalsContact CG-O 3.24Å; Q635-T637 WeakPolarHBondContact CG-O 3.29Å; Q635-T637 PolarHBondContact NE2-O 2.84Å; T637-A639 PolarHBondContact O-N 2.91Å; T637-A639 PolarHBondContact OG1-N 2.8Å; T637-M640 HydrophobicContact CG2-CE 3.54Å; T637-M640 PolarHBondContact N-O 3.16Å; T637-M640 VanDerWaalsContact N-O 3.17Å; T637-M640 PolarHBondContact O-N 2.84Å; T637-M640 WeakPolarHBondContact OG1-CB 3.42Å; T637-M640 PolarHBondContact OG1-N 2.78Å; T637-M640 VanDerWaalsContact OG1-N 3.16Å |
| 638 | Q | 74.7 | Confident | 82.7 | Confident | 94 Ų | 94 | 48.8 Ų | 48.8 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -14.7 | 172.6 | 71 | 178.6 | 6.5 | 0 | 0 | 115 | F789 | Q638-F789 HydrophobicContact CB-CD2 4.48Å; Q638-F789 HydrophobicContact CB-CE2 3.7Å; Q638-F789 HydrophobicContact CB-CZ 4.14Å |
| 639 | A | 77.9 | Confident | 82.5 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | 10.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | T637 G677 C678 I679 | T637-A639 PolarHBondContact O-N 2.91Å; T637-A639 PolarHBondContact OG1-N 2.8Å; A639-G677 CarbonylContact O-C 3.56Å; A639-C678 PolarHBondContact O-N 2.9Å; A639-I679 WeakPolarHBondContact CA-O 3.44Å; A639-I679 PolarHBondContact O-N 3.01Å |
| 640 | M | 82.6 | Confident | 82.4 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 138.7 | -179.8 | -58.6 | -170.5 | -68 | 0 | 0 | 112.5 | V636 T637 L675 M676 | V636-M640 HydrophobicContact CB-CB 4.45Å; V636-M640 PolarHBondContact N-O 2.81Å; T637-M640 HydrophobicContact CG2-CE 3.54Å; T637-M640 PolarHBondContact N-O 3.16Å; T637-M640 VanDerWaalsContact N-O 3.17Å; T637-M640 PolarHBondContact O-N 2.84Å; T637-M640 WeakPolarHBondContact OG1-CB 3.42Å; T637-M640 PolarHBondContact OG1-N 2.78Å; T637-M640 VanDerWaalsContact OG1-N 3.16Å; M640-L675 HydrophobicContact CB-CD2 4.27Å; M640-L675 HydrophobicContact SD-CD2 4.09Å; M640-M676 WeakPolarHBondContact CA-O 3.49Å |
| 641 | T | 83.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.2 | 176.3 | 31 | 0 | 0 | 0 | 0 | 110.9 | V633 T634 Q635 L675 M676 I679 F706 | V633-T641 HydrophobicContact CG1-CG2 4.22Å; T634-T641 CarbonylContact O-C 3.46Å; T634-T641 VanDerWaalsContact O-CA 3.32Å; T634-T641 WeakPolarHBondContact O-CA 3.48Å; Q635-T641 HydrophobicContact CB-CG2 4.25Å; Q635-T641 HydrophobicContact CG-CG2 4.16Å; T641-L675 CarbonylContact O-C 3.59Å; T641-L675 WeakPolarHBondContact O-CA 3.45Å; T641-M676 PolarHBondContact N-O 3.1Å; T641-M676 PolarHBondContact O-N 3.24Å; T641-I679 HydrophobicContact CG2-CD1 3.57Å; T641-F706 HydrophobicContact CG2-CD1 4.35Å; T641-F706 HydrophobicContact CG2-CE1 3.51Å; T641-F706 HydrophobicContact CG2-CE2 4.37Å; T641-F706 HydrophobicContact CG2-CZ 3.52Å |
| 642 | N | 87.1 | Confident | 82.6 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.214 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.6 | 170.3 | -178.3 | 29.6 | 0 | 0 | 0 | 109.3 | T634 V636 | T634-N642 PolarHBondContact N-O 3.12Å; T634-N642 PolarHBondContact O-N 3.23Å; T634-N642 PolarHBondContact OG1-O 2.85Å; V636-N642 HydrophobicContact CG2-CB 3.91Å |
| 643 | L | 87.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.7 | 179.3 | -153.4 | 121.5 | 0 | 0 | 0 | 108.1 | V631 V633 W645 A656 L658 H673 C674 V687 | V631-L643 HydrophobicContact CG1-CD2 4Å; V631-L643 HydrophobicContact CG1-CG 4.27Å; V633-L643 HydrophobicContact CB-CD1 4.44Å; V633-L643 HydrophobicContact CG1-CD1 4.13Å; V633-L643 HydrophobicContact CG2-CD1 3.58Å; V633-L643 HydrophobicContact CG2-CG 4.06Å; L643-W645 HydrophobicContact CB-CZ3 4.37Å; L643-W645 HydrophobicContact CD2-CE3 3.75Å; L643-W645 HydrophobicContact CD2-CZ3 3.69Å; L643-W645 WeakPolarHBondContact O-CZ3 3.45Å; L643-A656 HydrophobicContact CD2-CB 4.11Å; L643-L658 HydrophobicContact CD1-CD1 4.3Å; L643-L658 HydrophobicContact CD1-CD2 3.71Å; L643-L658 HydrophobicContact CD1-CG 3.96Å; L643-H673 CarbonylContact O-C 3.58Å; L643-H673 VanDerWaalsContact O-CA 3.29Å; L643-H673 WeakPolarHBondContact O-CA 3.02Å; L643-C674 PolarHBondContact N-O 2.86Å; L643-C674 PolarHBondContact O-N 3.28Å; L643-V687 HydrophobicContact CD1-CG1 3.82Å; L643-V687 HydrophobicContact CD1-CG2 4.06Å; L643-V687 HydrophobicContact CD2-CG1 3.92Å; L643-V687 HydrophobicContact CG-CG1 4.41Å |
| 644 | T | 88.8 | Confident | 83.2 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 26% | 0.258 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.4 | -173 | 50 | 0 | 0 | 0 | 0 | 109.9 | V631 N632 H673 | V631-T644 CarbonylContact C-O 3.47Å; V631-T644 WeakPolarHBondContact CA-O 3.23Å; N632-T644 WeakPolarHBondContact CB-OG1 3.33Å; N632-T644 PolarHBondContact N-O 2.94Å; N632-T644 PolarHBondContact O-N 2.87Å; N632-T644 PolarHBondContact O-OG1 2.77Å; N632-T644 VanDerWaalsContact O-OG1 3.09Å; T644-H673 HydrophobicContact CG2-CB 3.85Å |
| 645 | W | 88.9 | Confident | 83.5 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 5% | 0.053 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 168.2 | -177.5 | 56.1 | 95.2 | 0 | 0 | 0 | 113.3 | P628 T630 V631 L643 Y654 A656 T669 D671 T672 C674 L689 | P628-W645 HydrophobicContact CB-CB 4.23Å; T630-W645 WeakPolarHBondContact O-CA 3.18Å; T630-W645 WeakPolarHBondContact O-CB 3.35Å; V631-W645 HydrophobicContact CG2-CB 3.96Å; L643-W645 HydrophobicContact CB-CZ3 4.37Å; L643-W645 HydrophobicContact CD2-CE3 3.75Å; L643-W645 HydrophobicContact CD2-CZ3 3.69Å; L643-W645 WeakPolarHBondContact O-CZ3 3.45Å; W645-Y654 AromaticContact CE2-CG 3.95Å; W645-Y654 HydrophobicContact CZ2-CD2 4.32Å; W645-Y654 HydrophobicContact CZ2-CG 4.05Å; W645-Y654 AromaticContact NE1-CD1 3.47Å; W645-Y654 AromaticContact NE1-CD2 3.54Å; W645-Y654 AromaticContact NE1-CE1 3.85Å; W645-Y654 AromaticContact NE1-CE2 3.93Å; W645-Y654 AromaticContact NE1-CG 3.31Å; W645-Y654 VanDerWaalsContact NE1-CG 3.31Å; W645-A656 HydrophobicContact CH2-CB 3.89Å; W645-A656 HydrophobicContact CZ3-CB 4.01Å; W645-T669 HydrophobicContact CH2-CG2 3.63Å; W645-T669 HydrophobicContact CZ2-CG2 3.56Å; W645-D671 WeakPolarHBondContact CZ2-O 3.28Å; W645-T672 PolarHBondContact N-O 2.87Å; W645-T672 VanDerWaalsContact O-CB 3.25Å; W645-T672 WeakPolarHBondContact O-CB 3.39Å; W645-T672 PolarHBondContact O-OG1 2.87Å; W645-C674 HydrophobicContact CH2-CB 4.1Å; W645-C674 HydrophobicContact CZ3-CB 4.36Å; W645-L689 HydrophobicContact CB-CD2 3.97Å; W645-L689 HydrophobicContact CD2-CD1 4.13Å; W645-L689 HydrophobicContact CD2-CD2 3.82Å; W645-L689 HydrophobicContact CE3-CD1 4.35Å; W645-L689 HydrophobicContact CE3-CD2 4.44Å; W645-L689 HydrophobicContact CG-CD2 3.6Å; W645-L689 HydrophobicContact CH2-CD1 4.25Å; W645-L689 HydrophobicContact CZ2-CD1 4.02Å; W645-L689 HydrophobicContact CZ3-CD1 4.4Å |
| 646 | S | 87.9 | Confident | 84 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 148 | 169.1 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | P628 S629 T630 | P628-S646 WeakPolarHBondContact CB-O 3.5Å; P628-S646 WeakPolarHBondContact CG-O 3.37Å; S629-S646 PolarHBondContact N-OG 3.05Å; S629-S646 PolarHBondContact OG-OG 2.8Å; T630-S646 PolarHBondContact N-OG 3.05Å; T630-S646 PolarHBondContact O-N 2.71Å; T630-S646 VanDerWaalsContact O-N 3.13Å |
| 647 | P | 84 | Confident | 84.3 | Confident | 95 Ų | 95 | 35.4 Ų | 35.4 | 62% | 0.617 | 22% | 0.222 | S | C | * | . | P | Polyproline II helix | trans | -62.8 | 139.5 | 171.1 | 27.5 | -34 | 0 | 0 | 0 | 111.7 | Y654 T672 | P647-Y654 WeakPolarHBondContact CA-OH 3.42Å; P647-T672 HydrophobicContact CB-CG2 4.03Å |
| 648 | G | 82.5 | Confident | 84.7 | Confident | 10 Ų | 10 | 33.3 Ų | 33.3 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -94.2 | 136.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G650 A651 Y654 | G648-G650 PolarHBondContact O-N 3.1Å; G648-A651 WeakPolarHBondContact O-CB 3.36Å; G648-A651 PolarHBondContact O-N 2.85Å; G648-Y654 PolarHBondContact N-OH 3.27Å |
| 649 | T | 81.8 | Confident | 85.1 | Confident | 90 Ų | 90 | 31.5 Ų | 31.5 | 55% | 0.552 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 132.3 | 177.7 | 41.3 | 0 | 0 | 0 | 0 | 111.2 | G597 C626 A651 | G597-T649 WeakPolarHBondContact CA-O 3.19Å; C626-T649 WeakPolarHBondContact CB-OG1 3.35Å; C626-T649 PolarHBondContact N-O 3.01Å; C626-T649 PolarHBondContact SG-OG1 2.8Å; T649-A651 PolarHBondContact O-N 3.25Å |
| 650 | G | 77.3 | Confident | 85.2 | Confident | 39 Ų | 39 | 30.7 Ų | 30.7 | 40% | 0.402 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G648 S693 | G648-G650 PolarHBondContact O-N 3.1Å; G650-S693 WeakPolarHBondContact O-CA 3.36Å; G650-S693 VanDerWaalsContact O-CB 3.25Å; G650-S693 WeakPolarHBondContact O-CB 3.38Å |
| 651 | A | 83 | Confident | 84.8 | Confident | 22 Ų | 22 | 33.8 Ų | 33.8 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | trans | -85.5 | 129.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P625 G648 T649 Y654 A691 I692 | P625-A651 HydrophobicContact CB-CB 4.02Å; G648-A651 WeakPolarHBondContact O-CB 3.36Å; G648-A651 PolarHBondContact O-N 2.85Å; T649-A651 PolarHBondContact O-N 3.25Å; A651-Y654 HydrophobicContact CB-CE1 3.78Å; A651-A691 HydrophobicContact CB-CB 3.93Å; A651-I692 CarbonylContact C-O 3.56Å | ||
| 652 | S | 84.7 | Confident | 84.3 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -103 | -27.3 | 175.2 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | L670 I692 S693 S694 | S652-L670 WeakPolarHBondContact O-CD2 3.32Å; S652-I692 PolarHBondContact N-O 2.78Å; S652-I692 PolarHBondContact OG-O 3.47Å; S652-I692 VanDerWaalsContact OG-O 3.09Å; S652-S693 VanDerWaalsContact OG-C 3.24Å; S652-S693 PolarHBondContact OG-O 3.2Å; S652-S694 PolarHBondContact OG-N 2.91Å |
| 653 | S | 88.6 | Confident | 83.9 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 162 | 173.3 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | H668 I692 | S653-H668 WeakPolarHBondContact CB-NE2 3.45Å; S653-H668 PolarHBondContact OG-NE2 3.23Å; S653-I692 PolarHBondContact N-O 3.24Å; S653-I692 PolarHBondContact O-N 2.85Å |
| 654 | Y | 89.1 | Confident | 83.6 | Confident | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.5 | -177.1 | -55.3 | -85.3 | 0 | 0 | 0 | 111.6 | P628 W645 P647 G648 A651 H668 T669 T672 D690 A691 | P628-Y654 HydrophobicContact CG-CD1 4.28Å; P628-Y654 HydrophobicContact CG-CE1 3.88Å; W645-Y654 AromaticContact CE2-CG 3.95Å; W645-Y654 HydrophobicContact CZ2-CD2 4.32Å; W645-Y654 HydrophobicContact CZ2-CG 4.05Å; W645-Y654 AromaticContact NE1-CD1 3.47Å; W645-Y654 AromaticContact NE1-CD2 3.54Å; W645-Y654 AromaticContact NE1-CE1 3.85Å; W645-Y654 AromaticContact NE1-CE2 3.93Å; W645-Y654 AromaticContact NE1-CG 3.31Å; W645-Y654 VanDerWaalsContact NE1-CG 3.31Å; P647-Y654 WeakPolarHBondContact CA-OH 3.42Å; G648-Y654 PolarHBondContact N-OH 3.27Å; A651-Y654 HydrophobicContact CB-CE1 3.78Å; Y654-H668 WeakPolarHBondContact O-CA 3.47Å; Y654-H668 PolarHBondContact O-CD2 2.99Å; Y654-T669 PolarHBondContact N-O 3.4Å; Y654-T669 PolarHBondContact O-N 3.27Å; Y654-T672 HydrophobicContact CE2-CG2 4.39Å; Y654-D690 CarbonylContact C-O 3.54Å; Y654-D690 WeakPolarHBondContact CA-O 3.28Å; Y654-A691 HydrophobicContact CD1-CB 4.22Å; Y654-A691 HydrophobicContact CE1-CB 4.21Å |
| 655 | L | 89.1 | Confident | 83.4 | Confident | 46 Ų | 46 | 47 Ų | 47 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 104.2 | 169.1 | 177.5 | 66.6 | 0 | 0 | 0 | 109.4 | T657 C667 H668 L689 D690 | L655-T657 HydrophobicContact CG-CG2 4.22Å; L655-C667 CarbonylContact C-O 3.38Å; L655-H668 HydrophobicContact CD1-CB 4.03Å; L655-L689 WeakPolarHBondContact O-CA 3.33Å; L655-D690 HydrophobicContact CB-CB 4.23Å; L655-D690 PolarHBondContact N-O 2.78Å; L655-D690 PolarHBondContact O-N 3.23Å |
| 656 | A | 88.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | L643 W645 K666 C667 M676 L689 | L643-A656 HydrophobicContact CD2-CB 4.11Å; W645-A656 HydrophobicContact CH2-CB 3.89Å; W645-A656 HydrophobicContact CZ3-CB 4.01Å; A656-K666 CarbonylContact O-C 3.58Å; A656-K666 WeakPolarHBondContact O-CA 3.42Å; A656-C667 PolarHBondContact N-O 3.4Å; A656-C667 PolarHBondContact O-N 3.21Å; A656-M676 HydrophobicContact CB-CE 3.48Å; A656-M676 VanDerWaalsContact CB-CE 3.48Å; A656-M676 WeakPolarHBondContact O-CE 3.37Å; A656-L689 HydrophobicContact CB-CD1 3.61Å |
| 657 | T | 87.4 | Confident | 83.4 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 127.9 | 178.7 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | L655 A665 K666 Q688 | L655-T657 HydrophobicContact CG-CG2 4.22Å; T657-A665 CarbonylContact C-O 3.55Å; T657-A665 WeakPolarHBondContact CA-O 3.14Å; T657-K666 HydrophobicContact CG2-CB 4.3Å; T657-K666 HydrophobicContact CG2-CD 3.99Å; T657-K666 HydrophobicContact CG2-CG 3.72Å; T657-Q688 PolarHBondContact N-O 2.74Å; T657-Q688 PolarHBondContact O-N 3.49Å; T657-Q688 WeakPolarHBondContact OG1-CB 3.4Å |
| 658 | L | 85.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 113.2 | 169.4 | -79.8 | 176.6 | 0 | 0 | 0 | 108.6 | L643 E664 A665 M676 I679 Y685 S686 V687 | L643-L658 HydrophobicContact CD1-CD1 4.3Å; L643-L658 HydrophobicContact CD1-CD2 3.71Å; L643-L658 HydrophobicContact CD1-CG 3.96Å; L658-E664 CarbonylContact O-C 3.58Å; L658-E664 WeakPolarHBondContact O-CA 3.5Å; L658-A665 HydrophobicContact CB-CB 4.39Å; L658-A665 PolarHBondContact N-O 3.36Å; L658-A665 PolarHBondContact O-N 3.47Å; L658-M676 HydrophobicContact CB-SD 3.9Å; L658-M676 HydrophobicContact CD1-CB 4.2Å; L658-M676 HydrophobicContact CD1-CG 4.39Å; L658-M676 HydrophobicContact CD1-SD 3.5Å; L658-M676 VanDerWaalsContact CD1-SD 3.5Å; L658-M676 HydrophobicContact CG-CE 4.45Å; L658-M676 HydrophobicContact CG-SD 3.55Å; L658-M676 VanDerWaalsContact CG-SD 3.55Å; L658-I679 HydrophobicContact CD1-CG2 4.46Å; L658-Y685 HydrophobicContact CB-CD1 3.88Å; L658-Y685 HydrophobicContact CB-CG 4.46Å; L658-S686 WeakPolarHBondContact CA-O 3.37Å; L658-V687 HydrophobicContact CD2-CG2 3.77Å |
| 659 | M | 82.6 | Confident | 83.8 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130 | -177.1 | -63.4 | 176.2 | -72 | 0 | 0 | 110.9 | Y685 S686 Q688 | M659-Y685 CarbonylContact O-C 3.55Å; M659-Y685 VanDerWaalsContact O-CA 3.23Å; M659-Y685 WeakPolarHBondContact O-CA 3.3Å; M659-S686 PolarHBondContact N-O 2.99Å; M659-S686 PolarHBondContact O-N 2.82Å; M659-S686 PolarHBondContact O-OG 2.86Å; M659-Q688 HydrophobicContact CE-CB 3.76Å |
| 660 | S | 80.6 | Confident | 84 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 162.8 | 171.9 | 76 | 0 | 0 | 0 | 0 | 111.6 | R662 G663 N684 Y685 | S660-R662 PolarHBondContact O-N 2.87Å; S660-R662 PolarHBondContact OG-N 3.47Å; S660-G663 PolarHBondContact N-O 2.92Å; S660-G663 PolarHBondContact O-N 3.12Å; S660-G663 VanDerWaalsContact O-O 3.12Å; S660-G663 PolarHBondContact OG-N 3Å; S660-G663 PolarHBondContact OG-O 3.1Å; S660-N684 WeakPolarHBondContact CB-O 3.47Å; S660-Y685 VanDerWaalsContact CB-CE1 3.5Å; S660-Y685 WeakPolarHBondContact OG-CE1 3.43Å |
| 661 | P | 73.1 | Confident | 84.5 | Confident | 136 Ų | 136 | 58.9 Ų | 58.9 | 88% | 0.883 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -10.2 | 172 | -23 | 34.3 | 0 | 0 | 0 | 114.8 | ||
| 662 | R | 73.4 | Confident | 84.7 | Confident | 186 Ų | 186 | 60.3 Ų | 60.3 | 70% | 0.702 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 3.8 | 177.9 | -58.7 | -164.6 | -175.1 | -176 | 0.6 | 113.7 | S660 | S660-R662 PolarHBondContact O-N 2.87Å; S660-R662 PolarHBondContact OG-N 3.47Å |
| 663 | G | 77.3 | Confident | 84.8 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.1 | 170.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S660 | S660-G663 PolarHBondContact N-O 2.92Å; S660-G663 PolarHBondContact O-N 3.12Å; S660-G663 VanDerWaalsContact O-O 3.12Å; S660-G663 PolarHBondContact OG-N 3Å; S660-G663 PolarHBondContact OG-O 3.1Å |
| 664 | E | 82.6 | Confident | 84.8 | Confident | 112 Ų | 112 | 62.2 Ų | 62.2 | 52% | 0.523 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 148 | 178.6 | 52.5 | 169.6 | -156.1 | 0 | 0 | 111.6 | L658 K666 | L658-E664 CarbonylContact O-C 3.58Å; L658-E664 WeakPolarHBondContact O-CA 3.5Å; E664-K666 WeakPolarHBondContact OE1-CE 3.32Å; E664-K666 IonicContact OE1-NZ 2.77Å; E664-K666 PolarHBondContact OE1-NZ 2.88Å; E664-K666 WeakPolarHBondContact OE2-CE 3.44Å; E664-K666 IonicContact OE2-NZ 2.68Å; E664-K666 PolarHBondContact OE2-NZ 2.7Å |
| 665 | A | 84.1 | Confident | 84.6 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | T657 L658 M676 | T657-A665 CarbonylContact C-O 3.55Å; T657-A665 WeakPolarHBondContact CA-O 3.14Å; L658-A665 HydrophobicContact CB-CB 4.39Å; L658-A665 PolarHBondContact N-O 3.36Å; L658-A665 PolarHBondContact O-N 3.47Å; A665-M676 HydrophobicContact CB-CB 4.32Å; A665-M676 HydrophobicContact CB-SD 4.08Å |
| 666 | K | 87.4 | Confident | 84.4 | Confident | 117 Ų | 117 | 64.5 Ų | 64.5 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.9 | -176.4 | -62.5 | -169.5 | 160.7 | 141.5 | 0 | 110.8 | A656 T657 E664 | A656-K666 CarbonylContact O-C 3.58Å; A656-K666 WeakPolarHBondContact O-CA 3.42Å; T657-K666 HydrophobicContact CG2-CB 4.3Å; T657-K666 HydrophobicContact CG2-CD 3.99Å; T657-K666 HydrophobicContact CG2-CG 3.72Å; E664-K666 WeakPolarHBondContact OE1-CE 3.32Å; E664-K666 IonicContact OE1-NZ 2.77Å; E664-K666 PolarHBondContact OE1-NZ 2.88Å; E664-K666 WeakPolarHBondContact OE2-CE 3.44Å; E664-K666 IonicContact OE2-NZ 2.68Å; E664-K666 PolarHBondContact OE2-NZ 2.7Å |
| 667 | C | 89 | Confident | 84 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 127.3 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | L655 A656 C674 M676 | L655-C667 CarbonylContact C-O 3.38Å; A656-C667 PolarHBondContact N-O 3.4Å; A656-C667 PolarHBondContact O-N 3.21Å; C667-C674 HydrophobicContact CB-CB 3.72Å; C667-C674 WeakPolarHBondContact CB-SG 3.45Å; C667-C674 WeakPolarHBondContact SG-CB 3.09Å; C667-C674 CovalentContact SG-SG 2.01Å; C667-C674 PolarHBondContact SG-SG 2.89Å; C667-M676 HydrophobicContact CB-CE 3.91Å |
| 668 | H | 88.5 | Confident | 83.6 | Confident | 129 Ų | 129 | 72 Ų | 72 | 60% | 0.597 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.5 | 170.7 | -173.9 | -120.3 | 0 | 0 | 0 | 108.7 | S653 Y654 L655 | S653-H668 WeakPolarHBondContact CB-NE2 3.45Å; S653-H668 PolarHBondContact OG-NE2 3.23Å; Y654-H668 WeakPolarHBondContact O-CA 3.47Å; Y654-H668 PolarHBondContact O-CD2 2.99Å; L655-H668 HydrophobicContact CD1-CB 4.03Å |
| 669 | T | 87.4 | Confident | 83.4 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 14% | 0.135 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 154.9 | -173.6 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | W645 Y654 D671 C674 | W645-T669 HydrophobicContact CH2-CG2 3.63Å; W645-T669 HydrophobicContact CZ2-CG2 3.56Å; Y654-T669 PolarHBondContact N-O 3.4Å; Y654-T669 PolarHBondContact O-N 3.27Å; T669-D671 VanDerWaalsContact CG2-O 3.23Å; T669-D671 WeakPolarHBondContact CG2-O 3.43Å; T669-D671 PolarHBondContact OG1-N 2.98Å; T669-C674 HydrophobicContact CG2-CB 4.47Å |
| 670 | L | 85.1 | Confident | 83.1 | Confident | 129 Ų | 129 | 71.9 Ų | 71.9 | 68% | 0.675 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -88.8 | -23.9 | 168.5 | -56.9 | 178.7 | 0 | 0 | 0 | 111.2 | S652 | S652-L670 WeakPolarHBondContact O-CD2 3.32Š|
| 671 | D | 87.4 | Confident | 82.9 | Confident | 96 Ų | 96 | 72.4 Ų | 72.4 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -80.3 | 162.5 | 178.9 | -63.7 | -54 | 0 | 0 | 0 | 112.1 | W645 T669 H673 | W645-D671 WeakPolarHBondContact CZ2-O 3.28Å; T669-D671 VanDerWaalsContact CG2-O 3.23Å; T669-D671 WeakPolarHBondContact CG2-O 3.43Å; T669-D671 PolarHBondContact OG1-N 2.98Å; D671-H673 PolarHBondContact O-N 2.91Å; D671-H673 IonicContact OD2-CE1 3.46Å |
| 672 | T | 86.8 | Confident | 82.9 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -87.2 | 26.5 | 177.7 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | W645 P647 Y654 | W645-T672 PolarHBondContact N-O 2.87Å; W645-T672 VanDerWaalsContact O-CB 3.25Å; W645-T672 WeakPolarHBondContact O-CB 3.39Å; W645-T672 PolarHBondContact O-OG1 2.87Å; P647-T672 HydrophobicContact CB-CG2 4.03Å; Y654-T672 HydrophobicContact CE2-CG2 4.39Å |
| 673 | H | 87.4 | Confident | 83 | Confident | 91 Ų | 91 | 59.2 Ų | 59.2 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 153.5 | 176.7 | 74.2 | -67.3 | 0 | 0 | 0 | 111.7 | L643 T644 D671 | L643-H673 CarbonylContact O-C 3.58Å; L643-H673 VanDerWaalsContact O-CA 3.29Å; L643-H673 WeakPolarHBondContact O-CA 3.02Å; T644-H673 HydrophobicContact CG2-CB 3.85Å; D671-H673 PolarHBondContact O-N 2.91Å; D671-H673 IonicContact OD2-CE1 3.46Å |
| 674 | C | 88.6 | Confident | 83.2 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 10% | 0.101 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 138.4 | 164.1 | -172.5 | 0 | 0 | 0 | 0 | 113.7 | L643 W645 C667 T669 | L643-C674 PolarHBondContact N-O 2.86Å; L643-C674 PolarHBondContact O-N 3.28Å; W645-C674 HydrophobicContact CH2-CB 4.1Å; W645-C674 HydrophobicContact CZ3-CB 4.36Å; C667-C674 HydrophobicContact CB-CB 3.72Å; C667-C674 WeakPolarHBondContact CB-SG 3.45Å; C667-C674 WeakPolarHBondContact SG-CB 3.09Å; C667-C674 CovalentContact SG-SG 2.01Å; C667-C674 PolarHBondContact SG-SG 2.89Å; T669-C674 HydrophobicContact CG2-CB 4.47Å |
| 675 | L | 85.8 | Confident | 83.2 | Confident | 98 Ų | 98 | 57.7 Ų | 57.7 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 112.8 | 174.8 | -158.8 | 153.9 | 0 | 0 | 0 | 109.9 | M640 T641 | M640-L675 HydrophobicContact CB-CD2 4.27Å; M640-L675 HydrophobicContact SD-CD2 4.09Å; T641-L675 CarbonylContact O-C 3.59Å; T641-L675 WeakPolarHBondContact O-CA 3.45Å |
| 676 | M | 85.2 | Confident | 83.2 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.3 | -179.4 | -61.6 | -169.4 | -172.4 | 0 | 0 | 110.8 | M640 T641 A656 L658 A665 C667 | M640-M676 WeakPolarHBondContact CA-O 3.49Å; T641-M676 PolarHBondContact N-O 3.1Å; T641-M676 PolarHBondContact O-N 3.24Å; A656-M676 HydrophobicContact CB-CE 3.48Å; A656-M676 VanDerWaalsContact CB-CE 3.48Å; A656-M676 WeakPolarHBondContact O-CE 3.37Å; L658-M676 HydrophobicContact CB-SD 3.9Å; L658-M676 HydrophobicContact CD1-CB 4.2Å; L658-M676 HydrophobicContact CD1-CG 4.39Å; L658-M676 HydrophobicContact CD1-SD 3.5Å; L658-M676 VanDerWaalsContact CD1-SD 3.5Å; L658-M676 HydrophobicContact CG-CE 4.45Å; L658-M676 HydrophobicContact CG-SD 3.55Å; L658-M676 VanDerWaalsContact CG-SD 3.55Å; A665-M676 HydrophobicContact CB-CB 4.32Å; A665-M676 HydrophobicContact CB-SD 4.08Å; C667-M676 HydrophobicContact CB-CE 3.91Å |
| 677 | G | 79.7 | Confident | 83 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 178.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A639 I679 | A639-G677 CarbonylContact O-C 3.56Å; G677-I679 PolarHBondContact O-N 2.94Å |
| 678 | C | 77.9 | Confident | 82.9 | Confident | 128 Ų | 128 | 53.8 Ų | 53.8 | 87% | 0.865 | 31% | 0.314 | S | S | * | . | trans | 59.3 | 22.3 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 115.6 | A639 | A639-C678 PolarHBondContact O-N 2.9Š| ||
| 679 | I | 81.1 | Confident | 82.9 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.046 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 154.6 | 171.3 | 63.4 | 150.7 | 0 | 0 | 0 | 111.2 | A639 T641 L658 G677 Y685 | A639-I679 WeakPolarHBondContact CA-O 3.44Å; A639-I679 PolarHBondContact O-N 3.01Å; T641-I679 HydrophobicContact CG2-CD1 3.57Å; L658-I679 HydrophobicContact CD1-CG2 4.46Å; G677-I679 PolarHBondContact O-N 2.94Å; I679-Y685 WeakPolarHBondContact CA-OH 3.43Å; I679-Y685 HydrophobicContact CB-CE2 4.09Å; I679-Y685 HydrophobicContact CG2-CE1 4.35Å; I679-Y685 HydrophobicContact CG2-CE2 4.36Å |
| 680 | T | 77.1 | Confident | 82.9 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 27% | 0.27 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 140.6 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | T683 Y685 S708 | T680-T683 PolarHBondContact O-OG1 2.6Å; T680-T683 VanDerWaalsContact OG1-CG2 3.28Å; T680-T683 WeakPolarHBondContact OG1-CG2 3.46Å; T680-T683 PolarHBondContact OG1-OG1 3.14Å; T680-Y685 PolarHBondContact N-OH 2.97Å; T680-Y685 PolarHBondContact OG1-OH 2.93Å; T680-Y685 VanDerWaalsContact OG1-OH 3.05Å; T680-S708 WeakPolarHBondContact O-CB 3.48Å; T680-S708 PolarHBondContact O-OG 2.66Å |
| 681 | C | 76.1 | Confident | 83 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 142.8 | 174.2 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | S708 S709 C711 | C681-S708 WeakPolarHBondContact CA-OG 3.39Å; C681-S709 CarbonylContact C-O 3.56Å; C681-S709 WeakPolarHBondContact CB-O 3.35Å; C681-C711 HydrophobicContact CB-CB 4.08Å; C681-C711 WeakPolarHBondContact CB-SG 3.35Å; C681-C711 WeakPolarHBondContact SG-CB 3.32Å; C681-C711 CovalentContact SG-SG 2.04Å; C681-C711 PolarHBondContact SG-SG 3.01Å |
| 682 | G | 72.3 | Confident | 82.9 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 33.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | S708 S709 | G682-S708 WeakPolarHBondContact CA-O 3.22Å; G682-S708 PolarHBondContact N-O 3.4Å; G682-S708 PolarHBondContact N-OG 3.37Å; G682-S709 PolarHBondContact N-O 2.85Å |
| 683 | T | 77.1 | Confident | 82.8 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | trans | -132.7 | 152.9 | -179.3 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | T680 Y685 S708 | T680-T683 PolarHBondContact O-OG1 2.6Å; T680-T683 VanDerWaalsContact OG1-CG2 3.28Å; T680-T683 WeakPolarHBondContact OG1-CG2 3.46Å; T680-T683 PolarHBondContact OG1-OG1 3.14Å; T683-Y685 WeakPolarHBondContact OG1-CE2 3.4Å; T683-S708 PolarHBondContact N-OG 2.89Å; T683-S708 PolarHBondContact O-N 2.99Å; T683-S708 PolarHBondContact O-OG 3.06Å | ||
| 684 | N | 81.1 | Confident | 82.4 | Confident | 109 Ų | 109 | 36.2 Ų | 36.2 | 58% | 0.583 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.1 | -179.5 | -59.4 | 4.9 | 0 | 0 | 0 | 109.6 | S660 F706 S707 | S660-N684 WeakPolarHBondContact CB-O 3.47Å; N684-F706 CarbonylContact C-O 3.58Å; N684-F706 WeakPolarHBondContact CA-O 3.31Å; N684-S707 PolarHBondContact OD1-OG 2.8Å |
| 685 | Y | 81.6 | Confident | 81.8 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.3 | 176.9 | -69.6 | -94.2 | 0 | 0 | 0 | 109.8 | L658 M659 S660 I679 T680 T683 G705 F706 | L658-Y685 HydrophobicContact CB-CD1 3.88Å; L658-Y685 HydrophobicContact CB-CG 4.46Å; M659-Y685 CarbonylContact O-C 3.55Å; M659-Y685 VanDerWaalsContact O-CA 3.23Å; M659-Y685 WeakPolarHBondContact O-CA 3.3Å; S660-Y685 VanDerWaalsContact CB-CE1 3.5Å; S660-Y685 WeakPolarHBondContact OG-CE1 3.43Å; I679-Y685 WeakPolarHBondContact CA-OH 3.43Å; I679-Y685 HydrophobicContact CB-CE2 4.09Å; I679-Y685 HydrophobicContact CG2-CE1 4.35Å; I679-Y685 HydrophobicContact CG2-CE2 4.36Å; T680-Y685 PolarHBondContact N-OH 2.97Å; T680-Y685 PolarHBondContact OG1-OH 2.93Å; T680-Y685 VanDerWaalsContact OG1-OH 3.05Å; T683-Y685 WeakPolarHBondContact OG1-CE2 3.4Å; Y685-G705 CarbonylContact O-C 3.53Å; Y685-G705 WeakPolarHBondContact O-CA 3.27Å; Y685-F706 HydrophobicContact CD2-CD1 4.36Å; Y685-F706 PolarHBondContact N-O 2.99Å; Y685-F706 PolarHBondContact O-N 2.78Å |
| 686 | S | 83.6 | Confident | 81.3 | Confident | 53 Ų | 53 | 37.5 Ų | 37.5 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 150.4 | 162.2 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | L658 M659 | L658-S686 WeakPolarHBondContact CA-O 3.37Å; M659-S686 PolarHBondContact N-O 2.99Å; M659-S686 PolarHBondContact O-N 2.82Å; M659-S686 PolarHBondContact O-OG 2.86Å |
| 687 | V | 85.2 | Confident | 81 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.2 | 180 | -173.5 | 0 | 0 | 0 | 0 | 109 | V631 V633 L643 L658 Y703 | V631-V687 HydrophobicContact CG1-CG1 4.17Å; V633-V687 HydrophobicContact CG2-CG2 3.85Å; L643-V687 HydrophobicContact CD1-CG1 3.82Å; L643-V687 HydrophobicContact CD1-CG2 4.06Å; L643-V687 HydrophobicContact CD2-CG1 3.92Å; L643-V687 HydrophobicContact CG-CG1 4.41Å; L658-V687 HydrophobicContact CD2-CG2 3.77Å; V687-Y703 HydrophobicContact CG1-CD2 4.47Å; V687-Y703 PolarHBondContact O-N 3.48Å |
| 688 | Q | 86.1 | Confident | 81 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.4 | 163.8 | 159.6 | 177.6 | -19.9 | 0 | 0 | 109.2 | T657 M659 D690 Q700 C701 Q702 | T657-Q688 PolarHBondContact N-O 2.74Å; T657-Q688 PolarHBondContact O-N 3.49Å; T657-Q688 WeakPolarHBondContact OG1-CB 3.4Å; M659-Q688 HydrophobicContact CE-CB 3.76Å; Q688-D690 PolarHBondContact NE2-OD1 2.83Å; Q688-D690 PolarHBondContact NE2-OD2 3.06Å; Q688-Q700 HydrophobicContact CG-CG 4.44Å; Q688-Q700 VanDerWaalsContact NE2-CD 3.33Å; Q688-C701 CarbonylContact C-O 3.59Å; Q688-C701 WeakPolarHBondContact CA-O 3.38Å; Q688-Q702 HydrophobicContact CB-CG 4.44Å |
| 689 | L | 87.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 121.4 | 177 | -170.6 | 63.1 | 0 | 0 | 0 | 107.9 | P628 V631 W645 L655 A656 C701 Y703 | P628-L689 HydrophobicContact CB-CD2 4.01Å; P628-L689 HydrophobicContact CG-CD2 3.68Å; V631-L689 HydrophobicContact CG2-CD2 4.27Å; W645-L689 HydrophobicContact CB-CD2 3.97Å; W645-L689 HydrophobicContact CD2-CD1 4.13Å; W645-L689 HydrophobicContact CD2-CD2 3.82Å; W645-L689 HydrophobicContact CE3-CD1 4.35Å; W645-L689 HydrophobicContact CE3-CD2 4.44Å; W645-L689 HydrophobicContact CG-CD2 3.6Å; W645-L689 HydrophobicContact CH2-CD1 4.25Å; W645-L689 HydrophobicContact CZ2-CD1 4.02Å; W645-L689 HydrophobicContact CZ3-CD1 4.4Å; L655-L689 WeakPolarHBondContact O-CA 3.33Å; A656-L689 HydrophobicContact CB-CD1 3.61Å; L689-C701 PolarHBondContact N-O 2.66Å; L689-C701 WeakPolarHBondContact O-CA 3.14Å; L689-C701 VanDerWaalsContact O-CB 3.23Å; L689-C701 WeakPolarHBondContact O-CB 3.41Å; L689-C701 PolarHBondContact O-N 3.02Å; L689-C701 PolarHBondContact O-SG 3.15Å; L689-Y703 HydrophobicContact CB-CD2 4.47Å; L689-Y703 HydrophobicContact CB-CE2 3.8Å; L689-Y703 HydrophobicContact CD2-CE2 4.46Å |
| 690 | D | 87.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.7 | 174.1 | -52 | -32.1 | 0 | 0 | 0 | 109.2 | Y654 L655 Q688 K698 S699 Q700 | Y654-D690 CarbonylContact C-O 3.54Å; Y654-D690 WeakPolarHBondContact CA-O 3.28Å; L655-D690 HydrophobicContact CB-CB 4.23Å; L655-D690 PolarHBondContact N-O 2.78Å; L655-D690 PolarHBondContact O-N 3.23Å; Q688-D690 PolarHBondContact NE2-OD1 2.83Å; Q688-D690 PolarHBondContact NE2-OD2 3.06Å; D690-K698 HydrophobicContact CB-CD 4.46Å; D690-K698 HydrophobicContact CB-CG 4.32Å; D690-K698 WeakPolarHBondContact OD2-CE 3.18Å; D690-K698 IonicContact OD2-NZ 2.76Å; D690-K698 PolarHBondContact OD2-NZ 2.91Å; D690-S699 CarbonylContact C-O 3.54Å; D690-S699 WeakPolarHBondContact CA-O 3.4Å; D690-Q700 WeakPolarHBondContact OD1-CB 3.47Å; D690-Q700 VanDerWaalsContact OD1-CG 3.32Å; D690-Q700 WeakPolarHBondContact OD1-CG 3.35Å |
| 691 | A | 87.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 134 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P625 A651 Y654 K698 S699 | P625-A691 HydrophobicContact CB-CB 4.38Å; P625-A691 HydrophobicContact CG-CB 4.3Å; P625-A691 WeakPolarHBondContact CG-O 3.22Å; A651-A691 HydrophobicContact CB-CB 3.93Å; Y654-A691 HydrophobicContact CD1-CB 4.22Å; Y654-A691 HydrophobicContact CE1-CB 4.21Å; A691-K698 WeakPolarHBondContact O-CA 3.44Å; A691-S699 PolarHBondContact N-O 2.82Å; A691-S699 PolarHBondContact O-N 3.08Å |
| 692 | I | 86 | Confident | 82 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.195 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.3 | -174 | -54.6 | 171.6 | 0 | 0 | 0 | 108.8 | A651 S652 S653 H697 K698 | A651-I692 CarbonylContact C-O 3.56Å; S652-I692 PolarHBondContact N-O 2.78Å; S652-I692 PolarHBondContact OG-O 3.47Å; S652-I692 VanDerWaalsContact OG-O 3.09Å; S653-I692 PolarHBondContact N-O 3.24Å; S653-I692 PolarHBondContact O-N 2.85Å; I692-H697 CarbonylContact C-O 3.56Å; I692-H697 WeakPolarHBondContact CA-O 3.43Å; I692-K698 HydrophobicContact CG1-CG 4.26Å |
| 693 | S | 84 | Confident | 82.4 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | trans | -86.6 | 171.1 | 176.5 | 84.4 | 0 | 0 | 0 | 0 | 112.8 | E622 G650 S652 T695 G696 H697 | E622-S693 WeakPolarHBondContact OE1-CB 3.42Å; E622-S693 PolarHBondContact OE1-OG 2.63Å; G650-S693 WeakPolarHBondContact O-CA 3.36Å; G650-S693 VanDerWaalsContact O-CB 3.25Å; G650-S693 WeakPolarHBondContact O-CB 3.38Å; S652-S693 VanDerWaalsContact OG-C 3.24Å; S652-S693 PolarHBondContact OG-O 3.2Å; S693-T695 PolarHBondContact O-N 2.89Å; S693-T695 PolarHBondContact OG-N 3.02Å; S693-T695 PolarHBondContact OG-OG1 2.96Å; S693-G696 PolarHBondContact O-N 2.67Å; S693-G696 VanDerWaalsContact O-N 3.08Å; S693-H697 PolarHBondContact N-O 2.83Å; S693-H697 PolarHBondContact OG-N 2.82Å | ||
| 694 | S | 78.6 | Confident | 82.1 | Confident | 107 Ų | 107 | 60 Ų | 60 | 75% | 0.748 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.7 | 178 | 40.7 | 0 | 0 | 0 | 0 | 114.7 | S652 | S652-S694 PolarHBondContact OG-N 2.91Š|
| 695 | T | 77.6 | Confident | 81.6 | Confident | 89 Ų | 89 | 57.5 Ų | 57.5 | 55% | 0.546 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 1.3 | 177 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | E622 S693 | E622-T695 PolarHBondContact OE1-OG1 3.41Å; E622-T695 WeakPolarHBondContact OE2-CB 3.4Å; E622-T695 WeakPolarHBondContact OE2-CG2 3.27Å; E622-T695 PolarHBondContact OE2-OG1 2.91Å; S693-T695 PolarHBondContact O-N 2.89Å; S693-T695 PolarHBondContact OG-N 3.02Å; S693-T695 PolarHBondContact OG-OG1 2.96Å |
| 696 | G | 74.1 | Confident | 81.4 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | trans | 92.2 | 5.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S693 K698 | S693-G696 PolarHBondContact O-N 2.67Å; S693-G696 VanDerWaalsContact O-N 3.08Å; G696-K698 PolarHBondContact O-N 2.87Å | ||
| 697 | H | 79.7 | Confident | 81 | Confident | 70 Ų | 70 | 59.2 Ų | 59.2 | 32% | 0.324 | 32% | 0.323 | S | S | . | . | trans | -63 | 134.1 | 169.5 | -77.3 | -86.2 | 0 | 0 | 0 | 110.2 | P625 I692 S693 | P625-H697 WeakPolarHBondContact CD-O 3.35Å; P625-H697 WeakPolarHBondContact CG-O 3.47Å; I692-H697 CarbonylContact C-O 3.56Å; I692-H697 WeakPolarHBondContact CA-O 3.43Å; S693-H697 PolarHBondContact N-O 2.83Å; S693-H697 PolarHBondContact OG-N 2.82Å | ||
| 698 | K | 79.7 | Confident | 80.5 | Confident | 113 Ų | 113 | 59.6 Ų | 59.6 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.3 | -172.1 | -176.6 | -175.8 | -177.4 | -170.5 | 0 | 111.3 | D690 A691 I692 G696 | D690-K698 HydrophobicContact CB-CD 4.46Å; D690-K698 HydrophobicContact CB-CG 4.32Å; D690-K698 WeakPolarHBondContact OD2-CE 3.18Å; D690-K698 IonicContact OD2-NZ 2.76Å; D690-K698 PolarHBondContact OD2-NZ 2.91Å; A691-K698 WeakPolarHBondContact O-CA 3.44Å; I692-K698 HydrophobicContact CG1-CG 4.26Å; G696-K698 PolarHBondContact O-N 2.87Å |
| 699 | S | 84.2 | Confident | 80 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.6 | 172.7 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | P625 D690 A691 | P625-S699 WeakPolarHBondContact O-CB 3.38Å; P625-S699 PolarHBondContact O-OG 2.85Å; D690-S699 CarbonylContact C-O 3.54Å; D690-S699 WeakPolarHBondContact CA-O 3.4Å; A691-S699 PolarHBondContact N-O 2.82Å; A691-S699 PolarHBondContact O-N 3.08Å |
| 700 | Q | 83.4 | Confident | 79.3 | Confident | 112 Ų | 112 | 60.1 Ų | 60.1 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.9 | -176.6 | 171.7 | 168.9 | -4.6 | 0 | 0 | 110.8 | Q688 D690 | Q688-Q700 HydrophobicContact CG-CG 4.44Å; Q688-Q700 VanDerWaalsContact NE2-CD 3.33Å; D690-Q700 WeakPolarHBondContact OD1-CB 3.47Å; D690-Q700 VanDerWaalsContact OD1-CG 3.32Å; D690-Q700 WeakPolarHBondContact OD1-CG 3.35Å |
| 701 | C | 84.3 | Confident | 78.9 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.3 | -171.6 | -38.9 | 0 | 0 | 0 | 0 | 109.8 | C627 Q688 L689 Y703 | C627-C701 WeakPolarHBondContact CA-SG 3.24Å; C627-C701 HydrophobicContact CB-CB 3.91Å; C627-C701 WeakPolarHBondContact CB-SG 3.46Å; C627-C701 WeakPolarHBondContact SG-CB 3.3Å; C627-C701 CovalentContact SG-SG 2.03Å; C627-C701 PolarHBondContact SG-SG 2.96Å; Q688-C701 CarbonylContact C-O 3.59Å; Q688-C701 WeakPolarHBondContact CA-O 3.38Å; L689-C701 PolarHBondContact N-O 2.66Å; L689-C701 WeakPolarHBondContact O-CA 3.14Å; L689-C701 VanDerWaalsContact O-CB 3.23Å; L689-C701 WeakPolarHBondContact O-CB 3.41Å; L689-C701 PolarHBondContact O-N 3.02Å; L689-C701 PolarHBondContact O-SG 3.15Å; C701-Y703 HydrophobicContact CB-CE2 3.6Å; C701-Y703 WeakPolarHBondContact CB-OH 3.34Å |
| 702 | Q | 80.6 | Confident | 78.4 | Confident | 145 Ų | 145 | 62.5 Ų | 62.5 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.1 | 179.1 | -69.6 | -175 | -10.8 | 0 | 0 | 111.1 | Q688 | Q688-Q702 HydrophobicContact CB-CG 4.44Å |
| 703 | Y | 80.7 | Confident | 78.1 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 21% | 0.208 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 160.6 | -176.5 | -52.8 | -97.1 | 0 | 0 | 0 | 111.6 | P628 V631 V687 L689 C701 | P628-Y703 PolarHBondContact O-OH 3.1Å; V631-Y703 HydrophobicContact CB-CD1 4.05Å; V631-Y703 HydrophobicContact CB-CE1 4.34Å; V631-Y703 HydrophobicContact CB-CG 4.15Å; V631-Y703 HydrophobicContact CG2-CD1 3.61Å; V631-Y703 HydrophobicContact CG2-CD2 3.86Å; V631-Y703 HydrophobicContact CG2-CE1 3.44Å; V631-Y703 VanDerWaalsContact CG2-CE1 3.44Å; V631-Y703 HydrophobicContact CG2-CE2 3.73Å; V631-Y703 HydrophobicContact CG2-CG 3.82Å; V687-Y703 HydrophobicContact CG1-CD2 4.47Å; V687-Y703 PolarHBondContact O-N 3.48Å; L689-Y703 HydrophobicContact CB-CD2 4.47Å; L689-Y703 HydrophobicContact CB-CE2 3.8Å; L689-Y703 HydrophobicContact CD2-CE2 4.46Å; C701-Y703 HydrophobicContact CB-CE2 3.6Å; C701-Y703 WeakPolarHBondContact CB-OH 3.34Å |
| 704 | R | 71.9 | Confident | 77.8 | Confident | 240 Ų | 240 | 65.7 Ų | 65.7 | 91% | 0.906 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 148.4 | -175.8 | -67.3 | -171.9 | 179.3 | -159.6 | 0.8 | 112 | ||
| 705 | G | 69.5 | Low | 77.6 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 145 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y685 | Y685-G705 CarbonylContact O-C 3.53Å; Y685-G705 WeakPolarHBondContact O-CA 3.27Å |
| 706 | F | 77 | Confident | 77.7 | Confident | 29 Ų | 29 | 59.5 Ų | 59.5 | 13% | 0.127 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.9 | 173.6 | 162.3 | -94.5 | 0 | 0 | 0 | 110 | V633 Q635 T641 N684 Y685 | V633-F706 HydrophobicContact CB-CB 4.08Å; V633-F706 HydrophobicContact CB-CD2 3.75Å; V633-F706 HydrophobicContact CB-CE2 4.47Å; V633-F706 HydrophobicContact CB-CG 3.99Å; V633-F706 HydrophobicContact CG1-CB 4.01Å; V633-F706 HydrophobicContact CG1-CD1 4Å; V633-F706 HydrophobicContact CG1-CD2 3.54Å; V633-F706 HydrophobicContact CG1-CE1 4.42Å; V633-F706 HydrophobicContact CG1-CE2 3.99Å; V633-F706 HydrophobicContact CG1-CG 3.55Å; V633-F706 HydrophobicContact CG1-CZ 4.42Å; V633-F706 HydrophobicContact CG2-CB 4.25Å; Q635-F706 HydrophobicContact CB-CE2 4.47Å; Q635-F706 HydrophobicContact CB-CZ 4.01Å; Q635-F706 HydrophobicContact CG-CZ 4.41Å; T641-F706 HydrophobicContact CG2-CD1 4.35Å; T641-F706 HydrophobicContact CG2-CE1 3.51Å; T641-F706 HydrophobicContact CG2-CE2 4.37Å; T641-F706 HydrophobicContact CG2-CZ 3.52Å; N684-F706 CarbonylContact C-O 3.58Å; N684-F706 WeakPolarHBondContact CA-O 3.31Å; Y685-F706 HydrophobicContact CD2-CD1 4.36Å; Y685-F706 PolarHBondContact N-O 2.99Å; Y685-F706 PolarHBondContact O-N 2.78Å |
| 707 | S | 75.6 | Confident | 77.8 | Confident | 72 Ų | 72 | 62 Ų | 62 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.6 | 178 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | N684 | N684-S707 PolarHBondContact OD1-OG 2.8Å |
| 708 | S | 76 | Confident | 77.7 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 149.2 | 179.7 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | T680 C681 G682 T683 | T680-S708 WeakPolarHBondContact O-CB 3.48Å; T680-S708 PolarHBondContact O-OG 2.66Å; C681-S708 WeakPolarHBondContact CA-OG 3.39Å; G682-S708 WeakPolarHBondContact CA-O 3.22Å; G682-S708 PolarHBondContact N-O 3.4Å; G682-S708 PolarHBondContact N-OG 3.37Å; T683-S708 PolarHBondContact N-OG 2.89Å; T683-S708 PolarHBondContact O-N 2.99Å; T683-S708 PolarHBondContact O-OG 3.06Å |
| 709 | S | 73.8 | Confident | 77.5 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 20% | 0.203 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 161.2 | -176.8 | 73.5 | 0 | 0 | 0 | 0 | 113.8 | Q635 C681 G682 F789 | Q635-S709 PolarHBondContact NE2-OG 3.26Å; Q635-S709 PolarHBondContact OE1-OG 2.93Å; C681-S709 CarbonylContact C-O 3.56Å; C681-S709 WeakPolarHBondContact CB-O 3.35Å; G682-S709 PolarHBondContact N-O 2.85Å; S709-F789 WeakPolarHBondContact OG-CZ 3.36Å |
| 710 | A | 73.7 | Confident | 76.8 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 148.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y738 P779 | A710-Y738 HydrophobicContact CB-CD1 3.75Å; A710-Y738 HydrophobicContact CB-CD2 3.79Å; A710-Y738 HydrophobicContact CB-CE1 3.64Å; A710-Y738 HydrophobicContact CB-CE2 3.67Å; A710-Y738 HydrophobicContact CB-CG 3.84Å; A710-P779 HydrophobicContact CB-CB 3.88Å; A710-P779 HydrophobicContact CB-CG 3.82Å |
| 711 | C | 79.3 | Confident | 76.3 | Confident | 30 Ų | 30 | 62 Ų | 62 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 139.5 | 177.9 | -51.5 | 0 | 0 | 0 | 0 | 112 | C681 | C681-C711 HydrophobicContact CB-CB 4.08Å; C681-C711 WeakPolarHBondContact CB-SG 3.35Å; C681-C711 WeakPolarHBondContact SG-CB 3.32Å; C681-C711 CovalentContact SG-SG 2.04Å; C681-C711 PolarHBondContact SG-SG 3.01Å |
| 712 | C | 77.4 | Confident | 75.3 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -69 | 137.9 | 179 | -69.9 | 0 | 0 | 0 | 0 | 113.2 | C790 | C712-C790 HydrophobicContact CB-CB 3.91Å; C712-C790 WeakPolarHBondContact CB-SG 3.3Å; C712-C790 WeakPolarHBondContact SG-CA 3.41Å; C712-C790 WeakPolarHBondContact SG-CB 3.41Å; C712-C790 CovalentContact SG-SG 2.05Å; C712-C790 PolarHBondContact SG-SG 3.37Å |
| 713 | P | 78.5 | Confident | 74.6 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -58 | 155.5 | 173.6 | -28.8 | 35.4 | 0 | 0 | 0 | 115.2 | W730 H740 V777 | P713-W730 HydrophobicContact CB-CB 4.25Å; P713-W730 HydrophobicContact CB-CG 4.22Å; P713-H740 VanDerWaalsContact CG-CD2 3.46Å; P713-H740 WeakPolarHBondContact CG-CD2 3.27Å; P713-V777 HydrophobicContact CB-CB 4.47Å; P713-V777 HydrophobicContact CB-CG1 4.22Å; P713-V777 HydrophobicContact CG-CB 4.48Å; P713-V777 HydrophobicContact CG-CG1 3.93Å |
| 714 | T | 78 | Confident | 73.9 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 169.5 | 179.9 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | V716 R731 | T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 2.9Å; T714-R731 PolarHBondContact N-O 2.87Å; T714-R731 PolarHBondContact O-N 2.86Å; T714-R731 PolarHBondContact OG1-O 2.92Å |
| 715 | G | 74.6 | Confident | 73.9 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 64.5 | 24.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 716 | V | 79.7 | Confident | 74.3 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 138.5 | 179.6 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | T714 V728 Y729 W730 V775 V777 R793 Y795 | T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 2.9Å; V716-V728 HydrophobicContact CG1-CG1 4Å; V716-Y729 CarbonylContact C-O 3.54Å; V716-Y729 VanDerWaalsContact CA-O 3.23Å; V716-Y729 WeakPolarHBondContact CA-O 3.5Å; V716-W730 HydrophobicContact CG2-CB 4.08Å; V716-V775 HydrophobicContact CG1-CB 4.42Å; V716-V775 HydrophobicContact CG1-CG1 3.84Å; V716-V777 HydrophobicContact CG1-CG2 3.85Å; V716-V777 HydrophobicContact CG2-CB 4.26Å; V716-V777 HydrophobicContact CG2-CG2 3.83Å; V716-R793 HydrophobicContact CB-CG 4.42Å; V716-Y795 PolarHBondContact O-OH 3.16Å |
| 717 | K | 76.8 | Confident | 74.5 | Confident | 102 Ų | 102 | 55.3 Ų | 55.3 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154 | 176.6 | -66.2 | -175.7 | -179.5 | -175.2 | 0 | 110.9 | Y719 V728 Y729 | K717-Y719 HydrophobicContact CB-CD2 4.48Å; K717-Y719 HydrophobicContact CB-CE2 3.78Å; K717-Y719 HydrophobicContact CD-CE2 4.33Å; K717-Y719 WeakPolarHBondContact CD-OH 3.27Å; K717-V728 CarbonylContact O-C 3.56Å; K717-V728 WeakPolarHBondContact O-CA 3.38Å; K717-Y729 PolarHBondContact N-O 3.29Å; K717-Y729 PolarHBondContact O-N 2.88Å |
| 718 | L | 77.9 | Confident | 74.8 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136 | 174.3 | -175.2 | 67.7 | 0 | 0 | 0 | 109.8 | L726 V728 L744 Y773 Y795 V797 | L718-L726 HydrophobicContact CD1-CB 4.21Å; L718-V728 HydrophobicContact CD1-CG2 3.8Å; L718-L744 HydrophobicContact CD1-CD1 4.16Å; L718-L744 HydrophobicContact CD1-CD2 4.22Å; L718-Y773 HydrophobicContact CD2-CD2 4.38Å; L718-Y795 HydrophobicContact CB-CD1 4.18Å; L718-Y795 HydrophobicContact CB-CD2 4.05Å; L718-Y795 HydrophobicContact CB-CG 3.83Å; L718-Y795 HydrophobicContact CD2-CG 4.45Å; L718-V797 HydrophobicContact CD2-CG2 3.85Å |
| 719 | Y | 74.3 | Confident | 75 | Confident | 112 Ų | 112 | 54.9 Ų | 54.9 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.1 | 179.8 | -60.9 | -79 | 0 | 0 | 0 | 110.5 | K717 L726 R727 | K717-Y719 HydrophobicContact CB-CD2 4.48Å; K717-Y719 HydrophobicContact CB-CE2 3.78Å; K717-Y719 HydrophobicContact CD-CE2 4.33Å; K717-Y719 WeakPolarHBondContact CD-OH 3.27Å; Y719-L726 CarbonylContact O-C 3.6Å; Y719-L726 WeakPolarHBondContact O-CA 3.45Å; Y719-R727 PolarHBondContact N-O 2.84Å; Y719-R727 PolarHBondContact O-N 2.75Å |
| 720 | R | 69.6 | Low | 75.5 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 31% | 0.306 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.6 | 171.1 | -171.2 | 178.6 | -179.7 | -166.2 | -1.6 | 109.9 | N724 L726 C769 V797 P798 | R720-N724 PolarHBondContact NH2-OD1 2.96Å; R720-L726 HydrophobicContact CB-CD2 4.09Å; R720-L726 HydrophobicContact CG-CD2 4.27Å; R720-C769 VanDerWaalsContact NH1-CB 3.31Å; R720-V797 HydrophobicContact CB-CG1 4.39Å; R720-V797 HydrophobicContact CG-CG1 4.49Å; R720-P798 PolarHBondContact NH1-O 3.25Å |
| 721 | R | 73.1 | Confident | 75.7 | Confident | 110 Ų | 110 | 60.8 Ų | 60.8 | 42% | 0.415 | 30% | 0.302 | S | S | . | . | trans | -103.2 | 163.6 | 177 | -64.4 | -173.3 | 70.2 | -167.3 | -5.7 | 111.3 | N723 N724 S725 D763 | R721-N723 WeakPolarHBondContact CB-OD1 3.41Å; R721-N723 PolarHBondContact O-N 3.03Å; R721-N724 PolarHBondContact O-N 3.36Å; R721-S725 PolarHBondContact N-O 2.96Å; R721-D763 IonicContact CZ-OD2 2.88Å; R721-D763 IonicContact NH1-OD2 3.53Å; R721-D763 PolarHBondContact NH1-OD2 3.33Å | ||
| 722 | T | 63.8 | Low | 75.4 | Confident | 152 Ų | 152 | 60.3 Ų | 60.3 | 93% | 0.933 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.7 | -176.6 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | N724 | T722-N724 VanDerWaalsContact C-N 3.34Å; T722-N724 PolarHBondContact O-N 3.4Å |
| 723 | N | 64.7 | Low | 74.9 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 28.7 | 178.7 | 66.7 | -35.2 | 0 | 0 | 0 | 113.2 | R721 S725 | R721-N723 WeakPolarHBondContact CB-OD1 3.41Å; R721-N723 PolarHBondContact O-N 3.03Å; N723-S725 PolarHBondContact O-N 2.83Å; N723-S725 VanDerWaalsContact O-N 3.1Å; N723-S725 PolarHBondContact OD1-OG 3.22Å |
| 724 | N | 66.3 | Low | 74.3 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 60.7 | 16.2 | -178 | -128.5 | 24.8 | 0 | 0 | 0 | 115.7 | R720 R721 T722 G767 | R720-N724 PolarHBondContact NH2-OD1 2.96Å; R721-N724 PolarHBondContact O-N 3.36Å; T722-N724 VanDerWaalsContact C-N 3.34Å; T722-N724 PolarHBondContact O-N 3.4Å; N724-G767 PolarHBondContact O-N 2.92Å |
| 725 | S | 73.1 | Confident | 73.3 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.014 | 32% | 0.319 | C | S | . | . | trans | -95 | 153.7 | 177.9 | 101.4 | 0 | 0 | 0 | 0 | 112.2 | R721 N723 I764 | R721-S725 PolarHBondContact N-O 2.96Å; N723-S725 PolarHBondContact O-N 2.83Å; N723-S725 VanDerWaalsContact O-N 3.1Å; N723-S725 PolarHBondContact OD1-OG 3.22Å; S725-I764 CarbonylContact C-O 3.52Å; S725-I764 VanDerWaalsContact CA-O 3.27Å; S725-I764 WeakPolarHBondContact CA-O 3.46Å; S725-I764 VanDerWaalsContact CB-O 3.25Å; S725-I764 WeakPolarHBondContact CB-O 3.31Å | ||
| 726 | L | 76.8 | Confident | 72.6 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.1 | 172.4 | -68.7 | 174.2 | 0 | 0 | 0 | 110.3 | L718 Y719 R720 L744 D763 I764 Y773 V797 | L718-L726 HydrophobicContact CD1-CB 4.21Å; Y719-L726 CarbonylContact O-C 3.6Å; Y719-L726 WeakPolarHBondContact O-CA 3.45Å; R720-L726 HydrophobicContact CB-CD2 4.09Å; R720-L726 HydrophobicContact CG-CD2 4.27Å; L726-L744 HydrophobicContact CD1-CD2 3.92Å; L726-D763 CarbonylContact O-C 3.54Å; L726-D763 WeakPolarHBondContact O-CA 3.11Å; L726-I764 PolarHBondContact N-O 2.88Å; L726-I764 PolarHBondContact O-N 2.79Å; L726-Y773 HydrophobicContact CD1-CD2 4.26Å; L726-Y773 HydrophobicContact CD1-CE2 3.87Å; L726-V797 HydrophobicContact CD2-CG1 4.02Å; L726-V797 HydrophobicContact CD2-CG2 3.93Å |
| 727 | R | 80.8 | Confident | 71.8 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117 | 175.1 | 174.8 | 170.1 | -70 | -157.8 | -7.5 | 109.8 | Y719 Y761 C762 D763 | Y719-R727 PolarHBondContact N-O 2.84Å; Y719-R727 PolarHBondContact O-N 2.75Å; R727-Y761 HydrophobicContact CG-CD2 4.25Å; R727-Y761 HydrophobicContact CG-CG 4.43Å; R727-C762 WeakPolarHBondContact CA-O 3.3Å; R727-D763 VanDerWaalsContact CB-OD1 3.23Å; R727-D763 WeakPolarHBondContact CB-OD1 3.35Å; R727-D763 WeakPolarHBondContact CG-OD1 3.49Å; R727-D763 IonicContact CZ-OD1 2.78Å; R727-D763 IonicContact CZ-OD2 3.77Å; R727-D763 IonicContact NE-OD1 3.32Å; R727-D763 PolarHBondContact NE-OD1 2.56Å; R727-D763 IonicContact NE-OD2 3.07Å; R727-D763 PolarHBondContact NE-OD2 3.47Å; R727-D763 IonicContact NH2-OD1 3.42Å; R727-D763 PolarHBondContact NH2-OD1 3.49Å; R727-D763 IonicContact NH2-OD2 2.66Å; R727-D763 PolarHBondContact NH2-OD2 3.31Å |
| 728 | V | 81.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.4 | 164.8 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | V716 K717 L718 W730 V742 L744 Y761 C762 V775 V777 | V716-V728 HydrophobicContact CG1-CG1 4Å; K717-V728 CarbonylContact O-C 3.56Å; K717-V728 WeakPolarHBondContact O-CA 3.38Å; L718-V728 HydrophobicContact CD1-CG2 3.8Å; V728-W730 HydrophobicContact CB-CZ3 4.48Å; V728-W730 HydrophobicContact CG1-CE3 4.13Å; V728-W730 HydrophobicContact CG1-CZ3 4.35Å; V728-V742 HydrophobicContact CB-CG1 3.74Å; V728-V742 HydrophobicContact CG1-CG1 3.8Å; V728-V742 HydrophobicContact CG2-CG1 3.57Å; V728-L744 HydrophobicContact CG2-CD1 3.25Å; V728-Y761 CarbonylContact O-C 3.55Å; V728-Y761 WeakPolarHBondContact O-CA 3.33Å; V728-Y761 WeakPolarHBondContact O-CB 3.14Å; V728-C762 PolarHBondContact N-O 2.71Å; V728-C762 PolarHBondContact O-N 2.98Å; V728-V775 HydrophobicContact CG1-CG1 3.65Å; V728-V775 HydrophobicContact CG2-CG1 4.13Å; V728-V777 HydrophobicContact CG1-CG2 4.16Å |
| 729 | Y | 81.8 | Confident | 71.7 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 29% | 0.286 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.7 | 174.2 | 172.3 | -91.9 | 0 | 0 | 0 | 110.6 | V716 K717 R731 M760 | V716-Y729 CarbonylContact C-O 3.54Å; V716-Y729 VanDerWaalsContact CA-O 3.23Å; V716-Y729 WeakPolarHBondContact CA-O 3.5Å; K717-Y729 PolarHBondContact N-O 3.29Å; K717-Y729 PolarHBondContact O-N 2.88Å; Y729-R731 HydrophobicContact CE1-CG 4.25Å; Y729-M760 CarbonylContact C-O 3.58Å; Y729-M760 VanDerWaalsContact CA-O 3.31Å; Y729-M760 WeakPolarHBondContact CA-O 3.12Å; Y729-M760 HydrophobicContact CD2-CB 4.26Å; Y729-M760 WeakPolarHBondContact CD2-O 3.41Å; Y729-M760 HydrophobicContact CE2-CB 3.82Å |
| 730 | W | 83 | Confident | 72 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 168.2 | 174.9 | 60.9 | 95.6 | 0 | 0 | 0 | 112.2 | P713 V716 V728 H740 V742 A755 S759 M760 Y761 C762 V777 | P713-W730 HydrophobicContact CB-CB 4.25Å; P713-W730 HydrophobicContact CB-CG 4.22Å; V716-W730 HydrophobicContact CG2-CB 4.08Å; V728-W730 HydrophobicContact CB-CZ3 4.48Å; V728-W730 HydrophobicContact CG1-CE3 4.13Å; V728-W730 HydrophobicContact CG1-CZ3 4.35Å; W730-H740 AromaticContact CE2-CG 4Å; W730-H740 HydrophobicContact CZ2-CB 3.75Å; W730-H740 AromaticContact NE1-CD2 3.56Å; W730-H740 AromaticContact NE1-CG 3.56Å; W730-H740 AromaticContact NE1-ND1 3.84Å; W730-H740 AromaticContact NE1-NE2 3.82Å; W730-V742 HydrophobicContact CE3-CG2 4.1Å; W730-V742 HydrophobicContact CH2-CG2 3.69Å; W730-V742 HydrophobicContact CZ3-CG2 3.43Å; W730-V742 VanDerWaalsContact CZ3-CG2 3.43Å; W730-A755 HydrophobicContact CH2-CB 3.37Å; W730-A755 HydrophobicContact CZ2-CB 3.54Å; W730-S759 WeakPolarHBondContact CZ2-O 3.45Å; W730-M760 PolarHBondContact N-O 2.93Å; W730-Y761 WeakPolarHBondContact CH2-O 3.46Å; W730-Y761 VanDerWaalsContact CZ3-C 3.5Å; W730-Y761 VanDerWaalsContact CZ3-CA 3.45Å; W730-C762 HydrophobicContact CH2-CB 4.03Å; W730-C762 HydrophobicContact CZ3-CB 4.04Å; W730-V777 HydrophobicContact CB-CG1 4.45Å; W730-V777 HydrophobicContact CD2-CG1 3.71Å; W730-V777 HydrophobicContact CD2-CG2 4.44Å; W730-V777 HydrophobicContact CE3-CG1 4.07Å; W730-V777 HydrophobicContact CE3-CG2 4.16Å; W730-V777 HydrophobicContact CG-CG1 3.86Å |
| 731 | R | 78.7 | Confident | 72.7 | Confident | 159 Ų | 159 | 62.7 Ų | 62.7 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.8 | 169.6 | -64 | -179.3 | 175.3 | -179.9 | -3.6 | 109.1 | T714 Y729 | T714-R731 PolarHBondContact N-O 2.87Å; T714-R731 PolarHBondContact O-N 2.86Å; T714-R731 PolarHBondContact OG1-O 2.92Å; Y729-R731 HydrophobicContact CE1-CG 4.25Å |
| 732 | S | 72.7 | Confident | 73.2 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | trans | -108.4 | 142.2 | 171.2 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | S734 P735 | S732-S734 PolarHBondContact O-N 3.19Å; S732-S734 PolarHBondContact OG-N 2.94Å; S732-P735 WeakPolarHBondContact O-CD 3.48Å; S732-P735 WeakPolarHBondContact O-CG 3.38Å | ||
| 733 | S | 66.4 | Low | 74 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 62% | 0.622 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -72.3 | -10.6 | 171.7 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 734 | S | 65.8 | Low | 74.7 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 38% | 0.378 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -147.5 | 73 | 173.2 | -57.4 | 0 | 0 | 0 | 0 | 109.8 | S732 Q736 A737 | S732-S734 PolarHBondContact O-N 3.19Å; S732-S734 PolarHBondContact OG-N 2.94Å; S734-Q736 PolarHBondContact O-N 2.72Å; S734-Q736 VanDerWaalsContact O-N 3.14Å; S734-A737 PolarHBondContact O-N 2.96Å; S734-A737 VanDerWaalsContact O-N 3.12Å |
| 735 | P | 58 | Low | 75.4 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 26% | 0.26 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -35.5 | -170.7 | -25.2 | 34.2 | 0 | 0 | 0 | 113.9 | S732 G758 | S732-P735 WeakPolarHBondContact O-CD 3.48Å; S732-P735 WeakPolarHBondContact O-CG 3.38Å; P735-G758 WeakPolarHBondContact O-CA 3.33Å; P735-G758 PolarHBondContact O-N 2.95Å |
| 736 | Q | 60.2 | Low | 75.3 | Confident | 174 Ų | 174 | 48.6 Ų | 48.6 | 81% | 0.813 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.1 | -175.9 | -66 | 169.7 | -23.6 | 0 | 0 | 114.4 | S734 | S734-Q736 PolarHBondContact O-N 2.72Å; S734-Q736 VanDerWaalsContact O-N 3.14Å |
| 737 | A | 63.2 | Low | 74.8 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -22.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S734 | S734-A737 PolarHBondContact O-N 2.96Å; S734-A737 VanDerWaalsContact O-N 3.12Å |
| 738 | Y | 72.8 | Confident | 74 | Confident | 54 Ų | 54 | 54 Ų | 54 | 21% | 0.212 | 30% | 0.302 | C | S | . | . | trans | -142.3 | 141.7 | -171.9 | -56.6 | -74.1 | 0 | 0 | 0 | 111.5 | A710 H740 A757 P779 | A710-Y738 HydrophobicContact CB-CD1 3.75Å; A710-Y738 HydrophobicContact CB-CD2 3.79Å; A710-Y738 HydrophobicContact CB-CE1 3.64Å; A710-Y738 HydrophobicContact CB-CE2 3.67Å; A710-Y738 HydrophobicContact CB-CG 3.84Å; Y738-H740 PolarHBondContact O-CE1 3.42Å; Y738-H740 PolarHBondContact O-ND1 2.83Å; Y738-A757 WeakPolarHBondContact O-CA 3.15Å; Y738-P779 HydrophobicContact CG-CB 4.45Å | ||
| 739 | N | 78.7 | Confident | 73.4 | Confident | 90 Ų | 90 | 56 Ų | 56 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 147.9 | 164.6 | -69.7 | -16.4 | 0 | 0 | 0 | 109 | A757 P779 V780 | N739-A757 PolarHBondContact OD1-N 2.97Å; N739-P779 WeakPolarHBondContact O-CA 3.27Å; N739-V780 PolarHBondContact O-N 2.82Å |
| 740 | H | 81.8 | Confident | 73.3 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.2 | -179.5 | -62.9 | 81.8 | 0 | 0 | 0 | 110.3 | P713 W730 Y738 A755 V777 A778 | P713-H740 VanDerWaalsContact CG-CD2 3.46Å; P713-H740 WeakPolarHBondContact CG-CD2 3.27Å; W730-H740 AromaticContact CE2-CG 4Å; W730-H740 HydrophobicContact CZ2-CB 3.75Å; W730-H740 AromaticContact NE1-CD2 3.56Å; W730-H740 AromaticContact NE1-CG 3.56Å; W730-H740 AromaticContact NE1-ND1 3.84Å; W730-H740 AromaticContact NE1-NE2 3.82Å; Y738-H740 PolarHBondContact O-CE1 3.42Å; Y738-H740 PolarHBondContact O-ND1 2.83Å; H740-A755 HydrophobicContact CB-CB 4.35Å; H740-A755 PolarHBondContact N-O 3.37Å; H740-A755 PolarHBondContact O-N 2.78Å; H740-V777 HydrophobicContact CB-CG1 4.24Å; H740-A778 WeakPolarHBondContact CA-O 3.47Å |
| 741 | T | 83.6 | Confident | 73.1 | Confident | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.3 | 167 | 44.4 | 0 | 0 | 0 | 0 | 108.7 | F754 V777 A778 V780 | T741-F754 HydrophobicContact CG2-CD1 3.79Å; T741-F754 HydrophobicContact CG2-CE1 3.61Å; T741-V777 WeakPolarHBondContact O-CA 3.14Å; T741-A778 PolarHBondContact N-O 3.1Å; T741-A778 PolarHBondContact O-N 3.02Å; T741-A778 PolarHBondContact OG1-O 3.46Å; T741-V780 HydrophobicContact CG2-CG2 3.54Å |
| 742 | V | 82.4 | Confident | 73.1 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.8 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 108 | V728 W730 L744 T752 C753 C762 V775 V776 V777 | V728-V742 HydrophobicContact CB-CG1 3.74Å; V728-V742 HydrophobicContact CG1-CG1 3.8Å; V728-V742 HydrophobicContact CG2-CG1 3.57Å; W730-V742 HydrophobicContact CE3-CG2 4.1Å; W730-V742 HydrophobicContact CH2-CG2 3.69Å; W730-V742 HydrophobicContact CZ3-CG2 3.43Å; W730-V742 VanDerWaalsContact CZ3-CG2 3.43Å; V742-L744 HydrophobicContact CG1-CD1 4.48Å; V742-T752 WeakPolarHBondContact O-CA 3.4Å; V742-C753 HydrophobicContact CB-CB 4.37Å; V742-C753 WeakPolarHBondContact CB-O 3.34Å; V742-C753 PolarHBondContact N-O 3.5Å; V742-C753 PolarHBondContact O-N 3.08Å; V742-C762 HydrophobicContact CB-CB 4.26Å; V742-C762 HydrophobicContact CG2-CB 3.84Å; V742-V775 HydrophobicContact CG1-CG1 4.26Å; V742-V776 WeakPolarHBondContact CA-O 3.49Å; V742-V777 HydrophobicContact CG2-CG1 4.24Å; V742-V777 HydrophobicContact CG2-CG2 4.28Å |
| 743 | E | 81.7 | Confident | 73.6 | Confident | 31 Ų | 31 | 57 Ų | 57 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.1 | 176.6 | -62.7 | 166 | 158.4 | 0 | 0 | 108.6 | Y745 T752 V775 V776 K786 | E743-Y745 HydrophobicContact CB-CD2 4.36Å; E743-Y745 HydrophobicContact CB-CE2 3.58Å; E743-Y745 VanDerWaalsContact CD-OH 3.3Å; E743-Y745 PolarHBondContact OE2-OH 3.28Å; E743-Y745 VanDerWaalsContact OE2-OH 3.08Å; E743-T752 HydrophobicContact CG-CG2 4.18Å; E743-V775 CarbonylContact O-C 3.53Å; E743-V775 VanDerWaalsContact O-CA 3.27Å; E743-V775 WeakPolarHBondContact O-CA 3.09Å; E743-V776 HydrophobicContact CB-CB 4.42Å; E743-V776 PolarHBondContact N-O 2.96Å; E743-V776 PolarHBondContact O-N 2.88Å; E743-K786 IonicContact OE1-NZ 3.54Å; E743-K786 PolarHBondContact OE1-NZ 2.91Å; E743-K786 IonicContact OE2-NZ 3.1Å; E743-K786 PolarHBondContact OE2-NZ 3.37Å |
| 744 | L | 79.3 | Confident | 74.3 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 109.4 | 175.2 | -126.3 | 85.9 | 0 | 0 | 0 | 108.6 | L718 L726 V728 V742 N750 Y751 I764 Y773 T774 V775 | L718-L744 HydrophobicContact CD1-CD1 4.16Å; L718-L744 HydrophobicContact CD1-CD2 4.22Å; L726-L744 HydrophobicContact CD1-CD2 3.92Å; V728-L744 HydrophobicContact CG2-CD1 3.25Å; V742-L744 HydrophobicContact CG1-CD1 4.48Å; L744-N750 CarbonylContact O-C 3.53Å; L744-N750 WeakPolarHBondContact O-CA 3.36Å; L744-Y751 PolarHBondContact N-O 2.82Å; L744-Y751 PolarHBondContact O-N 3.25Å; L744-I764 HydrophobicContact CB-CD1 3.9Å; L744-I764 HydrophobicContact CD1-CD1 3.88Å; L744-I764 HydrophobicContact CD2-CD1 3.88Å; L744-I764 HydrophobicContact CG-CD1 4.11Å; L744-Y773 HydrophobicContact CD2-CD1 3.54Å; L744-Y773 HydrophobicContact CD2-CE1 4.1Å; L744-Y773 HydrophobicContact CD2-CG 3.78Å; L744-Y773 HydrophobicContact CG-CD1 4.08Å; L744-Y773 HydrophobicContact CG-CG 4.35Å; L744-T774 CarbonylContact C-O 3.53Å; L744-T774 WeakPolarHBondContact CA-O 3.44Å; L744-V775 HydrophobicContact CD1-CB 4.27Å; L744-V775 HydrophobicContact CD1-CG1 4.01Å; L744-V775 HydrophobicContact CD1-CG2 3.54Å; L744-V775 HydrophobicContact CG-CG2 4.15Å |
| 745 | Y | 80.4 | Confident | 75 | Confident | 91 Ų | 91 | 58 Ų | 58 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 108 | 175.3 | -56.2 | -87.4 | 0 | 0 | 0 | 109.5 | E743 N750 Y773 T774 V776 | E743-Y745 HydrophobicContact CB-CD2 4.36Å; E743-Y745 HydrophobicContact CB-CE2 3.58Å; E743-Y745 VanDerWaalsContact CD-OH 3.3Å; E743-Y745 PolarHBondContact OE2-OH 3.28Å; E743-Y745 VanDerWaalsContact OE2-OH 3.08Å; Y745-N750 VanDerWaalsContact CA-OD1 3.24Å; Y745-N750 WeakPolarHBondContact CA-OD1 3.44Å; Y745-N750 HydrophobicContact CD1-CB 4.33Å; Y745-Y773 CarbonylContact O-C 3.54Å; Y745-Y773 WeakPolarHBondContact O-CA 3.43Å; Y745-T774 PolarHBondContact N-O 3.11Å; Y745-T774 PolarHBondContact O-N 2.97Å; Y745-V776 HydrophobicContact CE2-CG2 4.31Å |
| 746 | G | 70.7 | Confident | 75.9 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | trans | -104.5 | 169.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A749 N750 Y773 | G746-A749 CarbonylContact C-O 3.57Å; G746-A749 VanDerWaalsContact CA-O 3.23Å; G746-A749 WeakPolarHBondContact CA-O 3.28Å; G746-A749 PolarHBondContact N-O 2.81Å; G746-N750 PolarHBondContact N-OD1 2.98Å; G746-Y773 VanDerWaalsContact CA-CD1 3.47Å | ||
| 747 | T | 67.4 | Low | 76.4 | Confident | 108 Ų | 108 | 53.1 Ų | 53.1 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -70.7 | -32.8 | 179.9 | 15.4 | 0 | 0 | 0 | 0 | 113.6 | D771 | T747-D771 VanDerWaalsContact OG1-CG 3.26Å; T747-D771 PolarHBondContact OG1-OD1 2.92Å |
| 748 | G | 64.6 | Low | 76.8 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -101.3 | -26.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 749 | A | 69.1 | Low | 77 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | trans | -157.3 | 153.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G746 Y751 | G746-A749 CarbonylContact C-O 3.57Å; G746-A749 VanDerWaalsContact CA-O 3.23Å; G746-A749 WeakPolarHBondContact CA-O 3.28Å; G746-A749 PolarHBondContact N-O 2.81Å; A749-Y751 HydrophobicContact CB-CE2 3.78Å | ||
| 750 | N | 78.3 | Confident | 77 | Confident | 109 Ų | 109 | 50.9 Ų | 50.9 | 58% | 0.583 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 135.1 | 171.2 | -64.4 | -29.5 | 0 | 0 | 0 | 109.6 | L744 Y745 G746 | L744-N750 CarbonylContact O-C 3.53Å; L744-N750 WeakPolarHBondContact O-CA 3.36Å; Y745-N750 VanDerWaalsContact CA-OD1 3.24Å; Y745-N750 WeakPolarHBondContact CA-OD1 3.44Å; Y745-N750 HydrophobicContact CD1-CB 4.33Å; G746-N750 PolarHBondContact N-OD1 2.98Å |
| 751 | Y | 78.6 | Confident | 77 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 19% | 0.192 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.3 | -178.3 | -57.2 | -94.3 | 0 | 0 | 0 | 109.8 | L744 A749 I764 E766 Y773 | L744-Y751 PolarHBondContact N-O 2.82Å; L744-Y751 PolarHBondContact O-N 3.25Å; A749-Y751 HydrophobicContact CB-CE2 3.78Å; Y751-I764 HydrophobicContact CD1-CG2 3.4Å; Y751-I764 VanDerWaalsContact CD1-CG2 3.4Å; Y751-I764 HydrophobicContact CD2-CG2 4.45Å; Y751-I764 HydrophobicContact CE1-CG2 4.06Å; Y751-I764 HydrophobicContact CG-CG2 3.61Å; Y751-E766 PolarHBondContact OH-O 2.9Å; Y751-Y773 HydrophobicContact CD2-CE1 4.18Å; Y751-Y773 AromaticContact CE2-CE1 3.95Å; Y751-Y773 HydrophobicContact CE2-CE1 3.95Å |
| 752 | T | 79.7 | Confident | 77 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.7 | 173.5 | 57.3 | 0 | 0 | 0 | 0 | 109.5 | V742 E743 | V742-T752 WeakPolarHBondContact O-CA 3.4Å; E743-T752 HydrophobicContact CG-CG2 4.18Å |
| 753 | C | 82.8 | Confident | 76.8 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 14% | 0.135 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.1 | 179.7 | -173.3 | 0 | 0 | 0 | 0 | 109 | V742 C762 I764 | V742-C753 HydrophobicContact CB-CB 4.37Å; V742-C753 WeakPolarHBondContact CB-O 3.34Å; V742-C753 PolarHBondContact N-O 3.5Å; V742-C753 PolarHBondContact O-N 3.08Å; C753-C762 HydrophobicContact CB-CB 3.75Å; C753-C762 WeakPolarHBondContact CB-SG 3.31Å; C753-C762 WeakPolarHBondContact SG-CB 3.42Å; C753-C762 CovalentContact SG-SG 2.02Å; C753-C762 PolarHBondContact SG-SG 2.85Å; C753-I764 HydrophobicContact CB-CD1 4.35Å; C753-I764 HydrophobicContact CB-CG1 3.88Å |
| 754 | F | 80.9 | Confident | 76.6 | Confident | 155 Ų | 155 | 56.8 Ų | 56.8 | 68% | 0.68 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.4 | -177.8 | -65.6 | -92.5 | 0 | 0 | 0 | 109.4 | T741 | T741-F754 HydrophobicContact CG2-CD1 3.79Å; T741-F754 HydrophobicContact CG2-CE1 3.61Å |
| 755 | A | 80.1 | Confident | 76.1 | Confident | 7 Ų | 7 | 64 Ų | 64 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 116.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | W730 H740 C762 | W730-A755 HydrophobicContact CH2-CB 3.37Å; W730-A755 HydrophobicContact CZ2-CB 3.54Å; H740-A755 HydrophobicContact CB-CB 4.35Å; H740-A755 PolarHBondContact N-O 3.37Å; H740-A755 PolarHBondContact O-N 2.78Å; A755-C762 HydrophobicContact CB-CB 4.4Å |
| 756 | A | 78.1 | Confident | 75.4 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | trans | -59 | 151.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G758 S759 | A756-G758 PolarHBondContact O-N 2.81Å; A756-S759 WeakPolarHBondContact O-CB 3.35Å; A756-S759 PolarHBondContact O-N 2.83Å | ||
| 757 | A | 70.8 | Confident | 74.9 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 132.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y738 N739 | Y738-A757 WeakPolarHBondContact O-CA 3.15Å; N739-A757 PolarHBondContact OD1-N 2.97Å |
| 758 | G | 70.6 | Confident | 74.5 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -27.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P735 A756 | P735-G758 WeakPolarHBondContact O-CA 3.33Å; P735-G758 PolarHBondContact O-N 2.95Å; A756-G758 PolarHBondContact O-N 2.81Å |
| 759 | S | 76.9 | Confident | 74.5 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 24% | 0.238 | 36% | 0.359 | C | S | . | . | trans | -78 | 136.4 | 175.3 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | W730 A756 Y761 | W730-S759 WeakPolarHBondContact CZ2-O 3.45Å; A756-S759 WeakPolarHBondContact O-CB 3.35Å; A756-S759 PolarHBondContact O-N 2.83Å; S759-Y761 PolarHBondContact OG-N 2.9Å; S759-Y761 PolarHBondContact OG-O 3.14Å | ||
| 760 | M | 78.5 | Confident | 74.1 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | trans | -107.8 | 5.8 | 174.2 | -73.2 | -177.4 | -94.8 | 0 | 0 | 112.7 | Y729 W730 | Y729-M760 CarbonylContact C-O 3.58Å; Y729-M760 VanDerWaalsContact CA-O 3.31Å; Y729-M760 WeakPolarHBondContact CA-O 3.12Å; Y729-M760 HydrophobicContact CD2-CB 4.26Å; Y729-M760 WeakPolarHBondContact CD2-O 3.41Å; Y729-M760 HydrophobicContact CE2-CB 3.82Å; W730-M760 PolarHBondContact N-O 2.93Å | ||
| 761 | Y | 82 | Confident | 73.6 | Confident | 104 Ų | 104 | 61.5 Ų | 61.5 | 41% | 0.408 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 162.5 | 177 | 69.4 | -90.8 | 0 | 0 | 0 | 112.7 | R727 V728 W730 S759 | R727-Y761 HydrophobicContact CG-CD2 4.25Å; R727-Y761 HydrophobicContact CG-CG 4.43Å; V728-Y761 CarbonylContact O-C 3.55Å; V728-Y761 WeakPolarHBondContact O-CA 3.33Å; V728-Y761 WeakPolarHBondContact O-CB 3.14Å; W730-Y761 WeakPolarHBondContact CH2-O 3.46Å; W730-Y761 VanDerWaalsContact CZ3-C 3.5Å; W730-Y761 VanDerWaalsContact CZ3-CA 3.45Å; S759-Y761 PolarHBondContact OG-N 2.9Å; S759-Y761 PolarHBondContact OG-O 3.14Å |
| 762 | C | 83.4 | Confident | 73.4 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 129.1 | 175.8 | -139.5 | 0 | 0 | 0 | 0 | 109.4 | R727 V728 W730 V742 C753 A755 | R727-C762 WeakPolarHBondContact CA-O 3.3Å; V728-C762 PolarHBondContact N-O 2.71Å; V728-C762 PolarHBondContact O-N 2.98Å; W730-C762 HydrophobicContact CH2-CB 4.03Å; W730-C762 HydrophobicContact CZ3-CB 4.04Å; V742-C762 HydrophobicContact CB-CB 4.26Å; V742-C762 HydrophobicContact CG2-CB 3.84Å; C753-C762 HydrophobicContact CB-CB 3.75Å; C753-C762 WeakPolarHBondContact CB-SG 3.31Å; C753-C762 WeakPolarHBondContact SG-CB 3.42Å; C753-C762 CovalentContact SG-SG 2.02Å; C753-C762 PolarHBondContact SG-SG 2.85Å; A755-C762 HydrophobicContact CB-CB 4.4Å |
| 763 | D | 79.3 | Confident | 73.2 | Confident | 49 Ų | 49 | 58 Ų | 58 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.7 | -176.9 | -76.2 | 8.4 | 0 | 0 | 0 | 110.5 | R721 L726 R727 | R721-D763 IonicContact CZ-OD2 2.88Å; R721-D763 IonicContact NH1-OD2 3.53Å; R721-D763 PolarHBondContact NH1-OD2 3.33Å; L726-D763 CarbonylContact O-C 3.54Å; L726-D763 WeakPolarHBondContact O-CA 3.11Å; R727-D763 VanDerWaalsContact CB-OD1 3.23Å; R727-D763 WeakPolarHBondContact CB-OD1 3.35Å; R727-D763 WeakPolarHBondContact CG-OD1 3.49Å; R727-D763 IonicContact CZ-OD1 2.78Å; R727-D763 IonicContact CZ-OD2 3.77Å; R727-D763 IonicContact NE-OD1 3.32Å; R727-D763 PolarHBondContact NE-OD1 2.56Å; R727-D763 IonicContact NE-OD2 3.07Å; R727-D763 PolarHBondContact NE-OD2 3.47Å; R727-D763 IonicContact NH2-OD1 3.42Å; R727-D763 PolarHBondContact NH2-OD1 3.49Å; R727-D763 IonicContact NH2-OD2 2.66Å; R727-D763 PolarHBondContact NH2-OD2 3.31Å |
| 764 | I | 78.1 | Confident | 73 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.4 | 178.9 | -64.6 | 161 | 0 | 0 | 0 | 107.1 | S725 L726 L744 Y751 C753 | S725-I764 CarbonylContact C-O 3.52Å; S725-I764 VanDerWaalsContact CA-O 3.27Å; S725-I764 WeakPolarHBondContact CA-O 3.46Å; S725-I764 VanDerWaalsContact CB-O 3.25Å; S725-I764 WeakPolarHBondContact CB-O 3.31Å; L726-I764 PolarHBondContact N-O 2.88Å; L726-I764 PolarHBondContact O-N 2.79Å; L744-I764 HydrophobicContact CB-CD1 3.9Å; L744-I764 HydrophobicContact CD1-CD1 3.88Å; L744-I764 HydrophobicContact CD2-CD1 3.88Å; L744-I764 HydrophobicContact CG-CD1 4.11Å; Y751-I764 HydrophobicContact CD1-CG2 3.4Å; Y751-I764 VanDerWaalsContact CD1-CG2 3.4Å; Y751-I764 HydrophobicContact CD2-CG2 4.45Å; Y751-I764 HydrophobicContact CE1-CG2 4.06Å; Y751-I764 HydrophobicContact CG-CG2 3.61Å; C753-I764 HydrophobicContact CB-CD1 4.35Å; C753-I764 HydrophobicContact CB-CG1 3.88Å |
| 765 | Q | 68.3 | Low | 72.9 | Confident | 152 Ų | 152 | 51.9 Ų | 51.9 | 71% | 0.71 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -83.9 | 153.6 | 175.4 | -61.3 | -169.2 | 0.2 | 0 | 0 | 110.5 | ||
| 766 | E | 64.6 | Low | 73 | Confident | 163 Ų | 163 | 52.4 Ų | 52.4 | 76% | 0.762 | 32% | 0.315 | S | S | * | . | trans | 59.9 | 60.4 | -178.9 | -56.3 | -170.1 | 149.8 | 0 | 0 | 115.5 | Y751 | Y751-E766 PolarHBondContact OH-O 2.9Š| ||
| 767 | G | 61.1 | Low | 73.1 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 120.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N724 | N724-G767 PolarHBondContact O-N 2.92Š|
| 768 | T | 59.2 | Low | 73.5 | Confident | 72 Ų | 72 | 47.4 Ų | 47.4 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 137.3 | 168.9 | 45.5 | 0 | 0 | 0 | 0 | 110.6 | D771 Y773 | T768-D771 WeakPolarHBondContact CB-OD2 3.48Å; T768-D771 PolarHBondContact OG1-OD2 2.81Å; T768-Y773 PolarHBondContact O-OH 2.86Å; T768-Y773 PolarHBondContact OG1-OH 3.05Å |
| 769 | C | 63.9 | Low | 74 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 30% | 0.297 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -93.1 | 143.7 | 173.1 | 73.5 | 0 | 0 | 0 | 0 | 110.3 | R720 C799 | R720-C769 VanDerWaalsContact NH1-CB 3.31Å; C769-C799 HydrophobicContact CB-CB 4.02Å; C769-C799 WeakPolarHBondContact CB-SG 2.96Å; C769-C799 PolarHBondContact O-SG 3.38Å; C769-C799 VanDerWaalsContact O-SG 3.41Å; C769-C799 VanDerWaalsContact SG-CA 3.54Å; C769-C799 WeakPolarHBondContact SG-CB 3.44Å; C769-C799 CovalentContact SG-SG 2.05Å; C769-C799 PolarHBondContact SG-SG 3.33Å |
| 770 | G | 61 | Low | 73.9 | Confident | 60 Ų | 60 | 45.2 Ų | 45.2 | 62% | 0.619 | 25% | 0.25 | S | S | * | . | S | Bend | trans | 108.3 | -19.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V797 | G770-V797 WeakPolarHBondContact CA-O 3.48Å; G770-V797 PolarHBondContact N-O 2.89Å |
| 771 | D | 68.6 | Low | 73.4 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | trans | -87.4 | 162.3 | -171.9 | -77.4 | -50.9 | 0 | 0 | 0 | 115.4 | T747 T768 Y773 V797 | T747-D771 VanDerWaalsContact OG1-CG 3.26Å; T747-D771 PolarHBondContact OG1-OD1 2.92Å; T768-D771 WeakPolarHBondContact CB-OD2 3.48Å; T768-D771 PolarHBondContact OG1-OD2 2.81Å; D771-Y773 HydrophobicContact CB-CD2 4.43Å; D771-Y773 HydrophobicContact CB-CE2 3.75Å; D771-V797 PolarHBondContact O-N 3.37Å | ||
| 772 | V | 72.9 | Confident | 72.4 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 42% | 0.418 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.2 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | T794 Y795 | V772-T794 HydrophobicContact CG1-CG2 4.41Å; V772-Y795 CarbonylContact C-O 3.59Å; V772-Y795 WeakPolarHBondContact CA-O 3.32Å |
| 773 | Y | 75.3 | Confident | 71.4 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.7 | -175.5 | -68.2 | -83.3 | 0 | 0 | 0 | 112.1 | L718 L726 L744 Y745 G746 Y751 T768 D771 T794 Y795 V797 | L718-Y773 HydrophobicContact CD2-CD2 4.38Å; L726-Y773 HydrophobicContact CD1-CD2 4.26Å; L726-Y773 HydrophobicContact CD1-CE2 3.87Å; L744-Y773 HydrophobicContact CD2-CD1 3.54Å; L744-Y773 HydrophobicContact CD2-CE1 4.1Å; L744-Y773 HydrophobicContact CD2-CG 3.78Å; L744-Y773 HydrophobicContact CG-CD1 4.08Å; L744-Y773 HydrophobicContact CG-CG 4.35Å; Y745-Y773 CarbonylContact O-C 3.54Å; Y745-Y773 WeakPolarHBondContact O-CA 3.43Å; G746-Y773 VanDerWaalsContact CA-CD1 3.47Å; Y751-Y773 HydrophobicContact CD2-CE1 4.18Å; Y751-Y773 AromaticContact CE2-CE1 3.95Å; Y751-Y773 HydrophobicContact CE2-CE1 3.95Å; T768-Y773 PolarHBondContact O-OH 2.86Å; T768-Y773 PolarHBondContact OG1-OH 3.05Å; D771-Y773 HydrophobicContact CB-CD2 4.43Å; D771-Y773 HydrophobicContact CB-CE2 3.75Å; Y773-T794 CarbonylContact O-C 3.59Å; Y773-T794 WeakPolarHBondContact O-CA 3.23Å; Y773-Y795 PolarHBondContact N-O 2.86Å; Y773-Y795 PolarHBondContact O-N 3.43Å; Y773-V797 HydrophobicContact CD2-CG2 3.92Å; Y773-V797 HydrophobicContact CE2-CG2 4.14Å |
| 774 | T | 79.5 | Confident | 70.6 | Confident | 46 Ų | 46 | 52 Ų | 52 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.2 | 168.8 | -51.6 | 0 | 0 | 0 | 0 | 110 | L744 Y745 P792 R793 T794 | L744-T774 CarbonylContact C-O 3.53Å; L744-T774 WeakPolarHBondContact CA-O 3.44Å; Y745-T774 PolarHBondContact N-O 3.11Å; Y745-T774 PolarHBondContact O-N 2.97Å; T774-P792 HydrophobicContact CG2-CB 3.78Å; T774-R793 CarbonylContact C-O 3.54Å; T774-T794 HydrophobicContact CG2-CG2 4.24Å; T774-T794 WeakPolarHBondContact OG1-CG2 3.11Å |
| 775 | V | 78.5 | Confident | 70.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.9 | -174.7 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | V716 V728 V742 E743 L744 V777 P792 R793 Y795 | V716-V775 HydrophobicContact CG1-CB 4.42Å; V716-V775 HydrophobicContact CG1-CG1 3.84Å; V728-V775 HydrophobicContact CG1-CG1 3.65Å; V728-V775 HydrophobicContact CG2-CG1 4.13Å; V742-V775 HydrophobicContact CG1-CG1 4.26Å; E743-V775 CarbonylContact O-C 3.53Å; E743-V775 VanDerWaalsContact O-CA 3.27Å; E743-V775 WeakPolarHBondContact O-CA 3.09Å; L744-V775 HydrophobicContact CD1-CB 4.27Å; L744-V775 HydrophobicContact CD1-CG1 4.01Å; L744-V775 HydrophobicContact CD1-CG2 3.54Å; L744-V775 HydrophobicContact CG-CG2 4.15Å; V775-V777 HydrophobicContact CG1-CG2 4.21Å; V775-P792 CarbonylContact O-C 3.55Å; V775-P792 WeakPolarHBondContact O-CA 3.26Å; V775-R793 PolarHBondContact N-O 2.87Å; V775-R793 PolarHBondContact O-N 2.82Å; V775-Y795 HydrophobicContact CB-CD2 4.35Å; V775-Y795 HydrophobicContact CB-CE2 3.99Å; V775-Y795 HydrophobicContact CG2-CD2 3.62Å; V775-Y795 HydrophobicContact CG2-CE2 3.74Å |
| 776 | V | 82.2 | Confident | 70.2 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.3 | 166.2 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | V742 E743 Y745 A778 P792 | V742-V776 WeakPolarHBondContact CA-O 3.49Å; E743-V776 HydrophobicContact CB-CB 4.42Å; E743-V776 PolarHBondContact N-O 2.96Å; E743-V776 PolarHBondContact O-N 2.88Å; Y745-V776 HydrophobicContact CE2-CG2 4.31Å; V776-A778 HydrophobicContact CG1-CB 4.48Å; V776-P792 HydrophobicContact CG2-CB 3.75Å |
| 777 | V | 80.9 | Confident | 70.8 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 115.6 | 167.8 | -170 | 0 | 0 | 0 | 0 | 107.9 | P713 V716 V728 W730 H740 T741 V742 V775 | P713-V777 HydrophobicContact CB-CB 4.47Å; P713-V777 HydrophobicContact CB-CG1 4.22Å; P713-V777 HydrophobicContact CG-CB 4.48Å; P713-V777 HydrophobicContact CG-CG1 3.93Å; V716-V777 HydrophobicContact CG1-CG2 3.85Å; V716-V777 HydrophobicContact CG2-CB 4.26Å; V716-V777 HydrophobicContact CG2-CG2 3.83Å; V728-V777 HydrophobicContact CG1-CG2 4.16Å; W730-V777 HydrophobicContact CB-CG1 4.45Å; W730-V777 HydrophobicContact CD2-CG1 3.71Å; W730-V777 HydrophobicContact CD2-CG2 4.44Å; W730-V777 HydrophobicContact CE3-CG1 4.07Å; W730-V777 HydrophobicContact CE3-CG2 4.16Å; W730-V777 HydrophobicContact CG-CG1 3.86Å; H740-V777 HydrophobicContact CB-CG1 4.24Å; T741-V777 WeakPolarHBondContact O-CA 3.14Å; V742-V777 HydrophobicContact CG2-CG1 4.24Å; V742-V777 HydrophobicContact CG2-CG2 4.28Å; V775-V777 HydrophobicContact CG1-CG2 4.21Å |
| 778 | A | 79.4 | Confident | 71.3 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H740 T741 V776 K786 C790 | H740-A778 WeakPolarHBondContact CA-O 3.47Å; T741-A778 PolarHBondContact N-O 3.1Å; T741-A778 PolarHBondContact O-N 3.02Å; T741-A778 PolarHBondContact OG1-O 3.46Å; V776-A778 HydrophobicContact CG1-CB 4.48Å; A778-K786 HydrophobicContact CB-CD 4.38Å; A778-K786 HydrophobicContact CB-CG 3.79Å; A778-C790 HydrophobicContact CB-CB 4.25Å |
| 779 | P | 79.7 | Confident | 72.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 144.7 | 171.6 | 33.4 | -31.9 | 0 | 0 | 0 | 109.2 | A710 Y738 N739 V787 C790 | A710-P779 HydrophobicContact CB-CB 3.88Å; A710-P779 HydrophobicContact CB-CG 3.82Å; Y738-P779 HydrophobicContact CG-CB 4.45Å; N739-P779 WeakPolarHBondContact O-CA 3.27Å; P779-V787 HydrophobicContact CG-CB 4.05Å; P779-V787 HydrophobicContact CG-CG2 3.88Å; P779-V787 PolarHBondContact O-N 2.89Å; P779-V787 VanDerWaalsContact O-N 3.1Å; P779-C790 VanDerWaalsContact CD-SG 3.55Å |
| 780 | V | 76.1 | Confident | 72.8 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.6 | 173.5 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | N739 T741 G784 | N739-V780 PolarHBondContact O-N 2.82Å; T741-V780 HydrophobicContact CG2-CG2 3.54Å; V780-G784 VanDerWaalsContact CG1-C 3.44Å; V780-G784 VanDerWaalsContact CG1-O 3.3Å; V780-G784 WeakPolarHBondContact CG1-O 3.31Å |
| 781 | G | 66.9 | Low | 73.6 | Confident | 23 Ų | 23 | 55 Ų | 55 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 165.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S783 G784 E785 | G781-S783 PolarHBondContact O-N 3.27Å; G781-S783 VanDerWaalsContact O-N 3.09Å; G781-G784 PolarHBondContact O-N 2.88Å; G781-E785 PolarHBondContact N-O 2.99Å |
| 782 | K | 62.5 | Low | 74 | Confident | 207 Ų | 207 | 56.4 Ų | 56.4 | 90% | 0.9 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.9 | 176.8 | -66.4 | -175.1 | 178 | -177.8 | 0 | 113.5 | G784 | K782-G784 VanDerWaalsContact C-N 3.33Š|
| 783 | S | 60.8 | Low | 74.2 | Confident | 89 Ų | 89 | 57.2 Ų | 57.2 | 62% | 0.622 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.8 | 172.5 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | G781 E785 | G781-S783 PolarHBondContact O-N 3.27Å; G781-S783 VanDerWaalsContact O-N 3.09Å; S783-E785 PolarHBondContact O-N 3.04Å |
| 784 | G | 62.3 | Low | 74.3 | Confident | 57 Ų | 57 | 59 Ų | 59 | 59% | 0.588 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 82.8 | -6.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V780 G781 K782 | V780-G784 VanDerWaalsContact CG1-C 3.44Å; V780-G784 VanDerWaalsContact CG1-O 3.3Å; V780-G784 WeakPolarHBondContact CG1-O 3.31Å; G781-G784 PolarHBondContact O-N 2.88Å; K782-G784 VanDerWaalsContact C-N 3.33Å |
| 785 | E | 68.1 | Low | 74 | Confident | 146 Ų | 146 | 58.4 Ų | 58.4 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | trans | -74.9 | 132.2 | 177.8 | -65.8 | -173.3 | 143 | 0 | 0 | 112.1 | G781 S783 | G781-E785 PolarHBondContact N-O 2.99Å; S783-E785 PolarHBondContact O-N 3.04Å | ||
| 786 | K | 71.7 | Confident | 73.5 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 33% | 0.326 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -81 | 131.3 | 176 | 176.5 | -172.5 | 173.9 | -165.9 | 0 | 110.2 | E743 A778 T788 | E743-K786 IonicContact OE1-NZ 3.54Å; E743-K786 PolarHBondContact OE1-NZ 2.91Å; E743-K786 IonicContact OE2-NZ 3.1Å; E743-K786 PolarHBondContact OE2-NZ 3.37Å; A778-K786 HydrophobicContact CB-CD 4.38Å; A778-K786 HydrophobicContact CB-CG 3.79Å; K786-T788 PolarHBondContact O-N 3.03Å; K786-T788 VanDerWaalsContact O-N 3.13Å |
| 787 | V | 75.5 | Confident | 72.9 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | trans | -65.2 | 114 | 171.9 | 175 | 0 | 0 | 0 | 0 | 110.2 | P779 F789 | P779-V787 HydrophobicContact CG-CB 4.05Å; P779-V787 HydrophobicContact CG-CG2 3.88Å; P779-V787 PolarHBondContact O-N 2.89Å; P779-V787 VanDerWaalsContact O-N 3.1Å; V787-F789 HydrophobicContact CG1-CD1 4.15Å; V787-F789 HydrophobicContact CG1-CD2 3.67Å; V787-F789 HydrophobicContact CG1-CE1 3.87Å; V787-F789 HydrophobicContact CG1-CE2 3.32Å; V787-F789 HydrophobicContact CG1-CG 4.08Å; V787-F789 HydrophobicContact CG1-CZ 3.45Å; V787-F789 VanDerWaalsContact CG1-CZ 3.45Å | ||
| 788 | T | 71.9 | Confident | 71.9 | Confident | 128 Ų | 128 | 62.4 Ų | 62.4 | 79% | 0.785 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -17.7 | -168.7 | 52.9 | 0 | 0 | 0 | 0 | 114.8 | K786 | K786-T788 PolarHBondContact O-N 3.03Å; K786-T788 VanDerWaalsContact O-N 3.13Å |
| 789 | F | 76.3 | Confident | 71.1 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 12.2 | -174.4 | 52.8 | -111.6 | 0 | 0 | 0 | 115.2 | Q638 S709 V787 | Q638-F789 HydrophobicContact CB-CD2 4.48Å; Q638-F789 HydrophobicContact CB-CE2 3.7Å; Q638-F789 HydrophobicContact CB-CZ 4.14Å; S709-F789 WeakPolarHBondContact OG-CZ 3.36Å; V787-F789 HydrophobicContact CG1-CD1 4.15Å; V787-F789 HydrophobicContact CG1-CD2 3.67Å; V787-F789 HydrophobicContact CG1-CE1 3.87Å; V787-F789 HydrophobicContact CG1-CE2 3.32Å; V787-F789 HydrophobicContact CG1-CG 4.08Å; V787-F789 HydrophobicContact CG1-CZ 3.45Å; V787-F789 VanDerWaalsContact CG1-CZ 3.45Å |
| 790 | C | 79 | Confident | 70 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 10% | 0.095 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 142.8 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | C712 A778 P779 | C712-C790 HydrophobicContact CB-CB 3.91Å; C712-C790 WeakPolarHBondContact CB-SG 3.3Å; C712-C790 WeakPolarHBondContact SG-CA 3.41Å; C712-C790 WeakPolarHBondContact SG-CB 3.41Å; C712-C790 CovalentContact SG-SG 2.05Å; C712-C790 PolarHBondContact SG-SG 3.37Å; A778-C790 HydrophobicContact CB-CB 4.25Å; P779-C790 VanDerWaalsContact CD-SG 3.55Å |
| 791 | L | 77.4 | Confident | 68.8 | Low | 119 Ų | 119 | 73.9 Ų | 73.9 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -88.2 | 131.4 | -166.5 | -73.5 | 159.6 | 0 | 0 | 0 | 114.6 | ||
| 792 | P | 77.3 | Confident | 67.6 | Low | 68 Ų | 68 | 77.2 Ų | 77.2 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 159.4 | 174.4 | 25.7 | -33.2 | 0 | 0 | 0 | 114.7 | T774 V775 V776 | T774-P792 HydrophobicContact CG2-CB 3.78Å; V775-P792 CarbonylContact O-C 3.55Å; V775-P792 WeakPolarHBondContact O-CA 3.26Å; V776-P792 HydrophobicContact CG2-CB 3.75Å |
| 793 | R | 77.3 | Confident | 66.7 | Low | 86 Ų | 86 | 75.7 Ų | 75.7 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 131 | -179.1 | -59.8 | -67.3 | 175.5 | -107.7 | -0.3 | 112.2 | V716 T774 V775 Y795 | V716-R793 HydrophobicContact CB-CG 4.42Å; T774-R793 CarbonylContact C-O 3.54Å; V775-R793 PolarHBondContact N-O 2.87Å; V775-R793 PolarHBondContact O-N 2.82Å; R793-Y795 HydrophobicContact CB-CE2 3.56Å; R793-Y795 WeakPolarHBondContact CB-OH 3.37Å; R793-Y795 WeakPolarHBondContact O-CE2 3.28Å |
| 794 | T | 76.2 | Confident | 66 | Low | 41 Ų | 41 | 75 Ų | 75 | 25% | 0.252 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.6 | -178 | 18.5 | 0 | 0 | 0 | 0 | 114 | V772 Y773 T774 S809 | V772-T794 HydrophobicContact CG1-CG2 4.41Å; Y773-T794 CarbonylContact O-C 3.59Å; Y773-T794 WeakPolarHBondContact O-CA 3.23Å; T774-T794 HydrophobicContact CG2-CG2 4.24Å; T774-T794 WeakPolarHBondContact OG1-CG2 3.11Å; T794-S809 PolarHBondContact OG1-O 3.28Å |
| 795 | Y | 73.4 | Confident | 64.8 | Low | 33 Ų | 33 | 75.1 Ų | 75.1 | 13% | 0.129 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 153.2 | -179.9 | -50.9 | -97 | 0 | 0 | 0 | 111.2 | V716 L718 V772 Y773 V775 R793 | V716-Y795 PolarHBondContact O-OH 3.16Å; L718-Y795 HydrophobicContact CB-CD1 4.18Å; L718-Y795 HydrophobicContact CB-CD2 4.05Å; L718-Y795 HydrophobicContact CB-CG 3.83Å; L718-Y795 HydrophobicContact CD2-CG 4.45Å; V772-Y795 CarbonylContact C-O 3.59Å; V772-Y795 WeakPolarHBondContact CA-O 3.32Å; Y773-Y795 PolarHBondContact N-O 2.86Å; Y773-Y795 PolarHBondContact O-N 3.43Å; V775-Y795 HydrophobicContact CB-CD2 4.35Å; V775-Y795 HydrophobicContact CB-CE2 3.99Å; V775-Y795 HydrophobicContact CG2-CD2 3.62Å; V775-Y795 HydrophobicContact CG2-CE2 3.74Å; R793-Y795 HydrophobicContact CB-CE2 3.56Å; R793-Y795 WeakPolarHBondContact CB-OH 3.37Å; R793-Y795 WeakPolarHBondContact O-CE2 3.28Å |
| 796 | S | 68.9 | Low | 63.7 | Low | 31 Ų | 31 | 76 Ų | 76 | 22% | 0.217 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.1 | 179.4 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | I808 | S796-I808 WeakPolarHBondContact OG-CD1 3.44Å |
| 797 | V | 69.5 | Low | 62.4 | Low | 13 Ų | 13 | 77.2 Ų | 77.2 | 8% | 0.079 | 48% | 0.482 | C | S | . | . | trans | -120.1 | 111.4 | -171.1 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | L718 R720 L726 G770 D771 Y773 | L718-V797 HydrophobicContact CD2-CG2 3.85Å; R720-V797 HydrophobicContact CB-CG1 4.39Å; R720-V797 HydrophobicContact CG-CG1 4.49Å; L726-V797 HydrophobicContact CD2-CG1 4.02Å; L726-V797 HydrophobicContact CD2-CG2 3.93Å; G770-V797 WeakPolarHBondContact CA-O 3.48Å; G770-V797 PolarHBondContact N-O 2.89Å; D771-V797 PolarHBondContact O-N 3.37Å; Y773-V797 HydrophobicContact CD2-CG2 3.92Å; Y773-V797 HydrophobicContact CE2-CG2 4.14Å | ||
| 798 | P | 60 | Low | 61.2 | Low | 64 Ų | 64 | 82.7 Ų | 82.7 | 42% | 0.416 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 159.4 | -178.5 | 31.8 | -35.2 | 0 | 0 | 0 | 114.9 | R720 | R720-P798 PolarHBondContact NH1-O 3.25Š|
| 799 | C | 61.4 | Low | 59.8 | Low | 61 Ų | 61 | 79.3 Ų | 79.3 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 160.1 | 176.1 | -66.5 | 0 | 0 | 0 | 0 | 113.5 | C769 | C769-C799 HydrophobicContact CB-CB 4.02Å; C769-C799 WeakPolarHBondContact CB-SG 2.96Å; C769-C799 PolarHBondContact O-SG 3.38Å; C769-C799 VanDerWaalsContact O-SG 3.41Å; C769-C799 VanDerWaalsContact SG-CA 3.54Å; C769-C799 WeakPolarHBondContact SG-CB 3.44Å; C769-C799 CovalentContact SG-SG 2.05Å; C769-C799 PolarHBondContact SG-SG 3.33Å |
| 800 | P | 56.8 | Low | 58.3 | Low | 116 Ų | 116 | 86 Ų | 86 | 75% | 0.753 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 133.3 | -174.7 | -15.6 | 30.7 | 0 | 0 | 0 | 112.2 | ||
| 801 | G | 51.6 | Low | 56.2 | Low | 91 Ų | 91 | 96.3 Ų | 96.3 | 94% | 0.938 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.7 | -12.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 802 | S | 41.9 | Very low | 54.2 | Low | 93 Ų | 93 | 102.3 Ų | 102.3 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | trans | -138.7 | 125.7 | 175.5 | -177 | 0 | 0 | 0 | 0 | 111.9 | A804 | S802-A804 PolarHBondContact O-N 2.94Š| ||
| 803 | N | 42.8 | Very low | 52 | Low | 176 Ų | 176 | 109.8 Ų | 109.8 | 94% | 0.941 | 59% | 0.585 | S | S | * | * | trans | -87.4 | 89.6 | 178.4 | -93.5 | -17.1 | 0 | 0 | 0 | 111.3 | ||||
| 804 | A | 47.3 | Very low | 49.9 | Very low | 73 Ų | 73 | 111.1 Ų | 111.1 | 60% | 0.603 | 61% | 0.607 | S | S | * | * | trans | -174 | 147.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S802 | S802-A804 PolarHBondContact O-N 2.94Š| ||
| 805 | G | 36.5 | Very low | 47.8 | Very low | 61 Ų | 61 | 115 Ų | 115 | 63% | 0.629 | 63% | 0.631 | S | S | * | * | trans | -152 | 87 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 806 | M | 44.8 | Very low | 45.9 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | -80.5 | 160.1 | 174.9 | -64.4 | -174.4 | -172 | 0 | 0 | 112 | ||||
| 807 | V | 43.8 | Very low | 44.8 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 60% | 0.6 | 70% | 0.704 | S | S | * | * | trans | -79.7 | 122.2 | 173.8 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 808 | I | 50.5 | Low | 43.5 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | trans | -84.6 | -30.2 | -170.7 | -63.8 | -178.6 | 0 | 0 | 0 | 114.2 | S796 | S796-I808 WeakPolarHBondContact OG-CD1 3.44Š| ||
| 809 | S | 42.9 | Very low | 42.5 | Very low | 57 Ų | 57 | 141.6 Ų | 141.6 | 40% | 0.399 | 76% | 0.755 | S | S | . | * | trans | -163.9 | 142 | 177.4 | -171.8 | 0 | 0 | 0 | 0 | 115.1 | T794 | T794-S809 PolarHBondContact OG1-O 3.28Š| ||
| 810 | R | 44.1 | Very low | 41.4 | Very low | 214 Ų | 214 | 146.4 Ų | 146.4 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -107.6 | 98.2 | 155.4 | -78.2 | -177.2 | 175.1 | 177 | -0.1 | 109.1 | R812 | R810-R812 PolarHBondContact O-N 2.85Å; R810-R812 VanDerWaalsContact O-N 3.1Å | ||
| 811 | R | 35.7 | Very low | 40.5 | Very low | 232 Ų | 232 | 148.3 Ų | 148.3 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -66.3 | 108.7 | 164.8 | -81.3 | -171.9 | 173.9 | -175.8 | -0.9 | 109.4 | ||||
| 812 | R | 34.9 | Very low | 39.7 | Very low | 244 Ų | 244 | 152.1 Ų | 152.1 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 122.6 | 158.4 | -83.1 | -176.6 | 171.1 | 176.1 | -2.9 | 107.5 | R810 | R810-R812 PolarHBondContact O-N 2.85Å; R810-R812 VanDerWaalsContact O-N 3.1Å |
| 813 | R | 32.6 | Very low | 39.6 | Very low | 226 Ų | 226 | 156.3 Ų | 156.3 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 119 | 158.2 | -137.8 | 179.3 | -168.8 | 178.5 | 2.6 | 105.8 | ||
| 814 | S | 32.6 | Very low | 39.3 | Very low | 113 Ų | 113 | 154.8 Ų | 154.8 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 143.7 | 153.2 | 55.2 | 0 | 0 | 0 | 0 | 107.3 | ||
| 815 | V | 32.1 | Very low | 38.7 | Very low | 124 Ų | 124 | 161.6 Ų | 161.6 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -130.2 | 137.6 | 165.8 | -174.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 816 | K | 33.5 | Very low | 38.9 | Very low | 274 Ų | 274 | 170.7 Ų | 170.7 | 100% | 1.191 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 0 | 175.5 | -72.8 | -179.6 | 171.5 | -176.7 | 0 | 110.7 |
Retrieved 816 of 816 residues in 219.5 ms
(Link to these results)