| 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 | 36.3 | Very low | 31.1 | Very low | 247 Ų | 247 | 144 Ų | 144 | 100% | 1.217 | 84% | 0.84 | S | S | * | * | 0 | 130.7 | 0 | -89.5 | -179.4 | 179.1 | 0 | 0 | 108.6 | |||||
| 2 | A | 30.5 | Very low | 30.9 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | trans | 50.5 | 105.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 3 | T | 27.8 | Very low | 30.6 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | 51.4 | 139.1 | 73.3 | 64.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 4 | R | 31 | Very low | 30.5 | Very low | 235 Ų | 235 | 137.9 Ų | 137.9 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | cis | -176.9 | 150.1 | 7.9 | -119.3 | 174.1 | 170 | 177.9 | -3.9 | 102.9 | ||||
| 5 | S | 31.2 | Very low | 30.3 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -144.6 | 125.2 | 143.1 | -172 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | S | 31.6 | Very low | 30 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 82% | 0.817 | S | S | * | * | trans | -89.9 | 130.3 | -174.8 | 45.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 7 | N | 32.9 | Very low | 30 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -110 | 110.5 | 152.3 | -86.4 | -14.7 | 0 | 0 | 0 | 108.1 | ||||
| 8 | N | 30.2 | Very low | 29.8 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -66.9 | 126.2 | 162.6 | -75.5 | -27.2 | 0 | 0 | 0 | 108.7 | ||||
| 9 | V | 35.1 | Very low | 30.2 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -123.1 | 136.3 | 155.7 | 175.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 10 | P | 27.3 | Very low | 30.5 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -76 | 156.3 | -156.4 | 2.1 | 14 | 0 | 0 | 0 | 112.6 | G12 | P10-G12 PolarHBondContact O-N 3.01Š| ||
| 11 | A | 27.9 | Very low | 30.6 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -48 | 118.8 | 159 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | G | 28.7 | Very low | 30.8 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -111.7 | 115.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | P10 | P10-G12 PolarHBondContact O-N 3.01Š| ||
| 13 | D | 27.8 | Very low | 31.4 | Very low | 155 Ų | 155 | 121 Ų | 121 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -9.8 | 128.2 | -179.1 | -100.5 | -38.3 | 0 | 0 | 0 | 120.5 | G15 | D13-G15 PolarHBondContact O-N 3.44Š| ||
| 14 | S | 28.9 | Very low | 31.9 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -53.8 | 91.8 | 150.5 | 43.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 15 | G | 27.7 | Very low | 32.1 | Very low | 60 Ų | 60 | 121.4 Ų | 121.4 | 62% | 0.619 | 75% | 0.749 | S | S | * | * | trans | -94.8 | 83.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D13 H17 | D13-G15 PolarHBondContact O-N 3.44Å; G15-H17 PolarHBondContact O-N 2.9Å; G15-H17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | G | 24.7 | Very low | 32.6 | Very low | 76 Ų | 76 | 118.2 Ų | 118.2 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | trans | -63.4 | 108.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S18 | G16-S18 VanDerWaalsContact C-N 3.35Å; G16-S18 PolarHBondContact O-N 2.94Å | ||
| 17 | H | 29.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 115 Ų | 115 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | trans | -69.5 | 98.6 | 170.1 | -70.3 | -67.1 | 0 | 0 | 0 | 108.3 | G15 | G15-H17 PolarHBondContact O-N 2.9Å; G15-H17 VanDerWaalsContact O-N 3.09Å | ||
| 18 | S | 27.1 | Very low | 33.3 | Very low | 70 Ų | 70 | 111.6 Ų | 111.6 | 49% | 0.49 | 69% | 0.694 | S | S | . | * | trans | -56.1 | 138.9 | 163.7 | 176.9 | 0 | 0 | 0 | 0 | 109 | G16 D20 | G16-S18 VanDerWaalsContact C-N 3.35Å; G16-S18 PolarHBondContact O-N 2.94Å; S18-D20 PolarHBondContact O-N 3.31Å; S18-D20 PolarHBondContact OG-N 3.02Å | ||
| 19 | A | 37.3 | Very low | 33.8 | Very low | 103 Ų | 103 | 110.8 Ų | 110.8 | 85% | 0.851 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 7.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 20 | D | 35.4 | Very low | 34.3 | Very low | 137 Ų | 137 | 106.8 Ų | 106.8 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 12.8 | -170.7 | -65 | -34.7 | 0 | 0 | 0 | 114.3 | S18 | S18-D20 PolarHBondContact O-N 3.31Å; S18-D20 PolarHBondContact OG-N 3.02Å |
| 21 | E | 34.4 | Very low | 35.3 | Very low | 138 Ų | 138 | 106 Ų | 106 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -77.3 | 126.3 | 172.2 | -80 | -172.5 | 165.7 | 0 | 0 | 111.4 | I23 | E21-I23 PolarHBondContact O-N 3.33Š|
| 22 | P | 39 | Very low | 36.2 | Very low | 116 Ų | 116 | 100.9 Ų | 100.9 | 75% | 0.753 | 61% | 0.607 | S | S | * | * | trans | -66.7 | 109.7 | -175.3 | 24.6 | -31.5 | 0 | 0 | 0 | 111.3 | D24 | P22-D24 PolarHBondContact O-N 3.24Š| ||
| 23 | I | 44 | Very low | 37.7 | Very low | 77 Ų | 77 | 98.8 Ų | 98.8 | 40% | 0.395 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -58.4 | -14.3 | 178.7 | -64.7 | 174 | 0 | 0 | 0 | 113 | E21 R25 A26 L27 | E21-I23 PolarHBondContact O-N 3.33Å; I23-R25 PolarHBondContact O-N 2.8Å; I23-R25 VanDerWaalsContact O-N 3.17Å; I23-A26 PolarHBondContact O-N 3.47Å; I23-L27 HydrophobicContact CG2-CD1 3.49Å; I23-L27 VanDerWaalsContact CG2-CD1 3.49Å; I23-L27 HydrophobicContact CG2-CG 3.92Å |
| 24 | D | 39.1 | Very low | 39.4 | Very low | 139 Ų | 139 | 92.2 Ų | 92.2 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -73.2 | -9.7 | -160.6 | -83.3 | -15.4 | 0 | 0 | 0 | 117.1 | P22 | P22-D24 PolarHBondContact O-N 3.24Š|
| 25 | R | 34.8 | Very low | 41.1 | Very low | 229 Ų | 229 | 87.9 Ų | 87.9 | 86% | 0.864 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -107.6 | -13.2 | 175.5 | -77.6 | -173.9 | 177.9 | 178.4 | 0.4 | 115.2 | I23 | I23-R25 PolarHBondContact O-N 2.8Å; I23-R25 VanDerWaalsContact O-N 3.17Å |
| 26 | A | 41.6 | Very low | 43.3 | Very low | 54 Ų | 54 | 87.3 Ų | 87.3 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -35.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I23 S28 N29 I30 | I23-A26 PolarHBondContact O-N 3.47Å; A26-S28 PolarHBondContact O-N 3.38Å; A26-N29 PolarHBondContact O-N 3.32Å; A26-I30 HydrophobicContact CB-CD1 3.86Å; A26-I30 WeakPolarHBondContact O-CD1 3.33Å; A26-I30 WeakPolarHBondContact O-CG1 3.34Å; A26-I30 PolarHBondContact O-N 3.27Å |
| 27 | L | 41.1 | Very low | 46 | Very low | 21 Ų | 21 | 83.7 Ų | 83.7 | 11% | 0.11 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -20 | -167.2 | -67.5 | 173.2 | 0 | 0 | 0 | 115.4 | I23 I30 F69 R75 | I23-L27 HydrophobicContact CG2-CD1 3.49Å; I23-L27 VanDerWaalsContact CG2-CD1 3.49Å; I23-L27 HydrophobicContact CG2-CG 3.92Å; L27-I30 HydrophobicContact CD2-CD1 3.91Å; L27-F69 HydrophobicContact CD2-CD2 3.9Å; L27-F69 HydrophobicContact CD2-CE2 4.25Å; L27-R75 PolarHBondContact O-NH1 2.85Å; L27-R75 PolarHBondContact O-NH2 2.94Å |
| 28 | S | 37.7 | Very low | 48.7 | Very low | 90 Ų | 90 | 75.8 Ų | 75.8 | 63% | 0.629 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -28 | 178.3 | 61 | 0 | 0 | 0 | 0 | 113.3 | A26 R75 | A26-S28 PolarHBondContact O-N 3.38Å; S28-R75 PolarHBondContact O-NH2 2.85Å |
| 29 | N | 40.7 | Very low | 51.5 | Low | 143 Ų | 143 | 72.9 Ų | 72.9 | 77% | 0.765 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -2.5 | -177.7 | -70.7 | -11.2 | 0 | 0 | 0 | 113.7 | A26 E31 | A26-N29 PolarHBondContact O-N 3.32Å; N29-E31 PolarHBondContact O-N 3.23Å; N29-E31 VanDerWaalsContact O-N 3.07Å |
| 30 | I | 45.8 | Very low | 53.7 | Low | 48 Ų | 48 | 71.7 Ų | 71.7 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | trans | -69.1 | 108.2 | 175.8 | -76.3 | 162.9 | 0 | 0 | 0 | 109.1 | A26 L27 F32 | A26-I30 HydrophobicContact CB-CD1 3.86Å; A26-I30 WeakPolarHBondContact O-CD1 3.33Å; A26-I30 WeakPolarHBondContact O-CG1 3.34Å; A26-I30 PolarHBondContact O-N 3.27Å; L27-I30 HydrophobicContact CD2-CD1 3.91Å; I30-F32 VanDerWaalsContact C-N 3.3Å; I30-F32 PolarHBondContact O-N 2.96Å | ||
| 31 | E | 47.5 | Very low | 56.3 | Low | 100 Ų | 100 | 66.9 Ų | 66.9 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | trans | -61 | 95.3 | 159.2 | -73.8 | -179.7 | 125 | 0 | 0 | 107.7 | N29 N33 R162 | N29-E31 PolarHBondContact O-N 3.23Å; N29-E31 VanDerWaalsContact O-N 3.07Å; E31-N33 PolarHBondContact O-N 3.07Å; E31-R162 IonicContact OE1-NH1 3.17Å; E31-R162 IonicContact OE2-CZ 3.12Å; E31-R162 IonicContact OE2-NH1 3.25Å; E31-R162 PolarHBondContact OE2-NH1 2.91Å; E31-R162 IonicContact OE2-NH2 2.69Å; E31-R162 PolarHBondContact OE2-NH2 3.48Å | ||
| 32 | F | 47.9 | Very low | 59 | Low | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | trans | -54.4 | 130.8 | 177.9 | 161.5 | -100.8 | 0 | 0 | 0 | 111.1 | I30 M34 V37 F69 L78 L79 Y137 L274 | I30-F32 VanDerWaalsContact C-N 3.3Å; I30-F32 PolarHBondContact O-N 2.96Å; F32-M34 HydrophobicContact CE1-CG 4.29Å; F32-M34 HydrophobicContact CE1-SD 3.75Å; F32-M34 HydrophobicContact CZ-CG 4.38Å; F32-M34 HydrophobicContact CZ-SD 3.55Å; F32-M34 VanDerWaalsContact CZ-SD 3.55Å; F32-V37 HydrophobicContact CE2-CG1 3.78Å; F32-V37 HydrophobicContact CZ-CG1 3.81Å; F32-F69 HydrophobicContact CD2-CZ 4.13Å; F32-L78 HydrophobicContact CD1-CB 4.35Å; F32-L78 HydrophobicContact CE1-CB 4.13Å; F32-L79 HydrophobicContact CD2-CD2 4.24Å; F32-L79 HydrophobicContact CE1-CD2 4.12Å; F32-L79 HydrophobicContact CE1-CG 4.17Å; F32-L79 HydrophobicContact CE2-CD1 4.49Å; F32-L79 HydrophobicContact CE2-CD2 3.29Å; F32-L79 HydrophobicContact CE2-CG 3.99Å; F32-L79 HydrophobicContact CZ-CD2 3.21Å; F32-L79 HydrophobicContact CZ-CG 3.74Å; F32-Y137 AromaticContact CD2-CD2 3.87Å; F32-Y137 HydrophobicContact CD2-CD2 3.87Å; F32-Y137 AromaticContact CD2-CE2 3.9Å; F32-Y137 HydrophobicContact CD2-CE2 3.9Å; F32-Y137 AromaticContact CE2-CD2 3.94Å; F32-Y137 HydrophobicContact CE2-CD2 3.94Å; F32-Y137 HydrophobicContact CE2-CE2 4.31Å; F32-L274 HydrophobicContact CB-CD2 3.72Å; F32-L274 HydrophobicContact CD1-CD2 4.1Å; F32-L274 HydrophobicContact CG-CD2 4.42Å | ||
| 33 | N | 60.5 | Low | 61.4 | Low | 30 Ų | 30 | 57.2 Ų | 57.2 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | trans | -115.6 | 136.6 | 175.6 | -172.5 | -10.5 | 0 | 0 | 0 | 110.1 | E31 A35 D36 | E31-N33 PolarHBondContact O-N 3.07Å; N33-A35 PolarHBondContact O-N 3.33Å; N33-A35 WeakPolarHBondContact OD1-CB 3.33Å; N33-A35 PolarHBondContact OD1-N 3.01Å; N33-D36 WeakPolarHBondContact CB-OD2 3.12Å; N33-D36 PolarHBondContact N-OD2 2.64Å; N33-D36 WeakPolarHBondContact O-CA 3.45Å; N33-D36 VanDerWaalsContact O-CB 3.26Å; N33-D36 WeakPolarHBondContact O-CB 3.17Å; N33-D36 PolarHBondContact O-N 3.25Å | ||
| 34 | M | 63 | Low | 63.3 | Low | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -62.2 | -22.5 | 171.5 | -73.4 | -61.7 | -65.5 | 0 | 0 | 112.4 | F32 D36 V37 F135 W159 | F32-M34 HydrophobicContact CE1-CG 4.29Å; F32-M34 HydrophobicContact CE1-SD 3.75Å; F32-M34 HydrophobicContact CZ-CG 4.38Å; F32-M34 HydrophobicContact CZ-SD 3.55Å; F32-M34 VanDerWaalsContact CZ-SD 3.55Å; M34-D36 PolarHBondContact O-N 3.27Å; M34-V37 HydrophobicContact CE-CG2 4.35Å; M34-V37 WeakPolarHBondContact O-CG2 3.41Å; M34-V37 PolarHBondContact O-N 3.04Å; M34-V37 HydrophobicContact SD-CG1 4.35Å; M34-F135 HydrophobicContact CE-CD2 3.58Å; M34-F135 HydrophobicContact CE-CE2 3.46Å; M34-F135 VanDerWaalsContact CE-CE2 3.46Å; M34-F135 HydrophobicContact CE-CG 4.2Å; M34-F135 HydrophobicContact CE-CZ 3.96Å; M34-F135 HydrophobicContact SD-CD2 4.37Å; M34-W159 HydrophobicContact CB-CB 4.22Å; M34-W159 HydrophobicContact CB-CD2 3.69Å; M34-W159 HydrophobicContact CB-CE3 4.22Å; M34-W159 HydrophobicContact CB-CG 3.65Å; M34-W159 HydrophobicContact CE-CD2 4.42Å; M34-W159 HydrophobicContact CE-CE3 4.34Å; M34-W159 HydrophobicContact CE-CH2 3.53Å; M34-W159 HydrophobicContact CE-CZ2 3.6Å; M34-W159 HydrophobicContact CE-CZ3 3.91Å |
| 35 | A | 64.6 | Low | 64.8 | Low | 25 Ų | 25 | 50.3 Ų | 50.3 | 21% | 0.207 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -66 | -19 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N33 V37 R138 W159 | N33-A35 PolarHBondContact O-N 3.33Å; N33-A35 WeakPolarHBondContact OD1-CB 3.33Å; N33-A35 PolarHBondContact OD1-N 3.01Å; A35-V37 VanDerWaalsContact C-N 3.31Å; A35-R138 PolarHBondContact O-NH2 3.48Å; A35-W159 HydrophobicContact CB-CB 4.39Å |
| 36 | D | 73.8 | Confident | 66.2 | Low | 48 Ų | 48 | 42.6 Ų | 42.6 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -90.4 | 6.1 | 178 | -54.7 | -27.1 | 0 | 0 | 0 | 112.1 | N33 M34 Y137 R138 | N33-D36 WeakPolarHBondContact CB-OD2 3.12Å; N33-D36 PolarHBondContact N-OD2 2.64Å; N33-D36 WeakPolarHBondContact O-CA 3.45Å; N33-D36 VanDerWaalsContact O-CB 3.26Å; N33-D36 WeakPolarHBondContact O-CB 3.17Å; N33-D36 PolarHBondContact O-N 3.25Å; M34-D36 PolarHBondContact O-N 3.27Å; D36-Y137 HydrophobicContact CB-CD2 3.94Å; D36-Y137 HydrophobicContact CB-CE2 3.32Å; D36-R138 WeakPolarHBondContact O-CA 3.32Å; D36-R138 WeakPolarHBondContact O-CB 3.37Å; D36-R138 PolarHBondContact O-N 3.28Å |
| 37 | V | 80.5 | Confident | 66.9 | Low | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -86.6 | 150.8 | 171.7 | -55.2 | 0 | 0 | 0 | 0 | 111 | F32 M34 A35 L39 L79 F135 L136 R138 | F32-V37 HydrophobicContact CE2-CG1 3.78Å; F32-V37 HydrophobicContact CZ-CG1 3.81Å; M34-V37 HydrophobicContact CE-CG2 4.35Å; M34-V37 WeakPolarHBondContact O-CG2 3.41Å; M34-V37 PolarHBondContact O-N 3.04Å; M34-V37 HydrophobicContact SD-CG1 4.35Å; A35-V37 VanDerWaalsContact C-N 3.31Å; V37-L39 HydrophobicContact CG2-CD1 3.73Å; V37-L39 HydrophobicContact CG2-CD2 3.84Å; V37-L39 HydrophobicContact CG2-CG 3.6Å; V37-L79 HydrophobicContact CG1-CD2 3.97Å; V37-F135 HydrophobicContact CB-CB 3.88Å; V37-F135 HydrophobicContact CB-CD1 4.46Å; V37-F135 HydrophobicContact CB-CG 4.37Å; V37-F135 HydrophobicContact CG1-CB 3.64Å; V37-F135 HydrophobicContact CG1-CG 4.27Å; V37-F135 HydrophobicContact CG2-CB 4.33Å; V37-F135 HydrophobicContact CG2-CD1 4.07Å; V37-F135 HydrophobicContact CG2-CG 4.27Å; V37-L136 CarbonylContact C-O 3.49Å; V37-L136 WeakPolarHBondContact CA-O 3.41Å; V37-R138 PolarHBondContact O-NH2 2.92Å |
| 38 | E | 86.7 | Confident | 67.4 | Low | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | trans | -80.3 | 117.2 | 173.8 | 179.5 | 57.3 | -89.8 | 0 | 0 | 110 | R40 Y42 L91 L136 A141 | E38-R40 WeakPolarHBondContact OE1-CB 2.97Å; E38-R40 WeakPolarHBondContact OE1-CG 3.32Å; E38-R40 PolarHBondContact OE1-N 3.41Å; E38-R40 IonicContact OE1-NE 3.69Å; E38-R40 PolarHBondContact OE1-NE 2.96Å; E38-R40 IonicContact OE2-CZ 3.6Å; E38-R40 VanDerWaalsContact OE2-CZ 3.26Å; E38-R40 IonicContact OE2-NE 2.75Å; E38-R40 PolarHBondContact OE2-NE 3.21Å; E38-R40 IonicContact OE2-NH2 3.25Å; E38-R40 PolarHBondContact OE2-NH2 3.45Å; E38-Y42 HydrophobicContact CG-CE2 3.89Å; E38-Y42 PolarHBondContact OE2-OH 3.03Å; E38-L91 HydrophobicContact CG-CB 4.37Å; E38-L91 HydrophobicContact CG-CD1 4.16Å; E38-L136 HydrophobicContact CB-CB 4.39Å; E38-L136 HydrophobicContact CB-CD2 4.45Å; E38-L136 PolarHBondContact N-O 3.09Å; E38-A141 HydrophobicContact CB-CB 3.91Å; E38-A141 HydrophobicContact CG-CB 4.09Å | ||
| 39 | L | 85.5 | Confident | 68.1 | Low | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | trans | -128 | 7.5 | -175.9 | -63.9 | 169.3 | 0 | 0 | 0 | 112.5 | V37 F87 F135 P155 F157 W159 | V37-L39 HydrophobicContact CG2-CD1 3.73Å; V37-L39 HydrophobicContact CG2-CD2 3.84Å; V37-L39 HydrophobicContact CG2-CG 3.6Å; L39-F87 HydrophobicContact CD2-CE1 4.41Å; L39-F87 WeakPolarHBondContact O-CZ 3.26Å; L39-F135 HydrophobicContact CD2-CD1 3.98Å; L39-F135 HydrophobicContact CD2-CE1 3.79Å; L39-P155 HydrophobicContact CB-CB 3.77Å; L39-P155 HydrophobicContact CB-CG 4.17Å; L39-P155 WeakPolarHBondContact O-CA 3.4Å; L39-P155 WeakPolarHBondContact O-CB 3.13Å; L39-F157 WeakPolarHBondContact CD1-O 3.08Å; L39-W159 HydrophobicContact CD1-CE3 3.53Å; L39-W159 HydrophobicContact CD1-CZ3 3.46Å; L39-W159 VanDerWaalsContact CD1-CZ3 3.46Å; L39-W159 HydrophobicContact CD2-CZ3 4.18Å; L39-W159 HydrophobicContact CG-CZ3 4.45Å | ||
| 40 | R | 85.1 | Confident | 69 | Low | 78 Ų | 78 | 45.6 Ų | 45.6 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | trans | -70.8 | 155.8 | 172.2 | -64.8 | 178.5 | -72.4 | 178.4 | -1.5 | 110.5 | E38 Y42 L150 P155 | E38-R40 WeakPolarHBondContact OE1-CB 2.97Å; E38-R40 WeakPolarHBondContact OE1-CG 3.32Å; E38-R40 PolarHBondContact OE1-N 3.41Å; E38-R40 IonicContact OE1-NE 3.69Å; E38-R40 PolarHBondContact OE1-NE 2.96Å; E38-R40 IonicContact OE2-CZ 3.6Å; E38-R40 VanDerWaalsContact OE2-CZ 3.26Å; E38-R40 IonicContact OE2-NE 2.75Å; E38-R40 PolarHBondContact OE2-NE 3.21Å; E38-R40 IonicContact OE2-NH2 3.25Å; E38-R40 PolarHBondContact OE2-NH2 3.45Å; R40-Y42 HydrophobicContact CB-CD2 4.5Å; R40-Y42 HydrophobicContact CB-CE2 3.77Å; R40-Y42 PolarHBondContact NE-OH 3.25Å; R40-Y42 PolarHBondContact NH2-OH 3.44Å; R40-Y42 VanDerWaalsContact NH2-OH 3.16Å; R40-Y42 WeakPolarHBondContact O-CD2 3.42Å; R40-L150 HydrophobicContact CB-CD1 3.63Å; R40-L150 HydrophobicContact CG-CD1 4.31Å; R40-P155 HydrophobicContact CG-CG 4.41Å | ||
| 41 | E | 89.8 | Confident | 69.5 | Low | 37 Ų | 37 | 50.3 Ų | 50.3 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.3 | -179.7 | -167 | 172.9 | 147.9 | 0 | 0 | 109.8 | F87 V151 N152 R156 | E41-F87 HydrophobicContact CB-CE2 4.32Å; E41-V151 HydrophobicContact CG-CB 4.46Å; E41-V151 WeakPolarHBondContact O-CB 3.2Å; E41-V151 PolarHBondContact O-N 3.47Å; E41-N152 HydrophobicContact CB-CB 3.94Å; E41-N152 PolarHBondContact N-O 2.91Å; E41-N152 PolarHBondContact O-N 2.99Å; E41-N152 VanDerWaalsContact O-N 3.13Å; E41-R156 IonicContact OE1-NH2 2.93Å; E41-R156 IonicContact OE2-CZ 3.34Å; E41-R156 IonicContact OE2-NE 2.64Å; E41-R156 PolarHBondContact OE2-NE 3.39Å; E41-R156 IonicContact OE2-NH2 3.27Å; E41-R156 PolarHBondContact OE2-NH2 2.69Å |
| 42 | Y | 91.4 | Very high | 70.2 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 159.8 | 178.9 | -63.4 | -96.1 | 0 | 0 | 0 | 110.9 | E38 R40 G89 L91 F144 L148 E149 L150 | E38-Y42 HydrophobicContact CG-CE2 3.89Å; E38-Y42 PolarHBondContact OE2-OH 3.03Å; R40-Y42 HydrophobicContact CB-CD2 4.5Å; R40-Y42 HydrophobicContact CB-CE2 3.77Å; R40-Y42 PolarHBondContact NE-OH 3.25Å; R40-Y42 PolarHBondContact NH2-OH 3.44Å; R40-Y42 VanDerWaalsContact NH2-OH 3.16Å; R40-Y42 WeakPolarHBondContact O-CD2 3.42Å; Y42-G89 PolarHBondContact N-O 3.45Å; Y42-G89 WeakPolarHBondContact O-CA 3.37Å; Y42-L91 HydrophobicContact CD1-CD1 4.48Å; Y42-L91 HydrophobicContact CD2-CD1 3.59Å; Y42-L91 HydrophobicContact CD2-CD2 4.25Å; Y42-L91 HydrophobicContact CD2-CG 3.54Å; Y42-L91 HydrophobicContact CE1-CD1 4.38Å; Y42-L91 HydrophobicContact CE2-CD1 3.47Å; Y42-L91 VanDerWaalsContact CE2-CD1 3.47Å; Y42-L91 HydrophobicContact CE2-CG 3.85Å; Y42-L91 HydrophobicContact CG-CD1 4.1Å; Y42-L91 HydrophobicContact CG-CD2 4.43Å; Y42-L91 HydrophobicContact CG-CG 4.16Å; Y42-F144 HydrophobicContact CE1-CD2 4.27Å; Y42-F144 AromaticContact CE1-CE2 3.86Å; Y42-F144 HydrophobicContact CE1-CE2 3.86Å; Y42-F144 HydrophobicContact CE1-CZ 4.29Å; Y42-F144 AromaticContact CZ-CE2 3.84Å; Y42-F144 AromaticContact CZ-CZ 3.96Å; Y42-F144 WeakPolarHBondContact OH-CE2 3.41Å; Y42-L148 HydrophobicContact CD1-CD2 3.88Å; Y42-L148 HydrophobicContact CD1-CG 3.92Å; Y42-L148 HydrophobicContact CE1-CD2 4.39Å; Y42-L148 HydrophobicContact CG-CD2 4.23Å; Y42-L148 HydrophobicContact CG-CG 4.27Å; Y42-E149 CarbonylContact C-O 3.44Å; Y42-E149 VanDerWaalsContact CA-O 3.26Å; Y42-E149 WeakPolarHBondContact CA-O 3.3Å; Y42-L150 HydrophobicContact CD1-CB 4.26Å; Y42-L150 HydrophobicContact CD1-CD1 4.2Å; Y42-L150 HydrophobicContact CE1-CB 4.14Å; Y42-L150 HydrophobicContact CE1-CD1 3.82Å; Y42-L150 HydrophobicContact CE2-CD1 4.33Å |
| 43 | S | 88.3 | Confident | 70.7 | Confident | 40 Ų | 40 | 53 Ų | 53 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145.4 | 168.6 | 66.8 | 0 | 0 | 0 | 0 | 110.2 | E149 V151 | S43-E149 PolarHBondContact N-O 3.4Å; S43-E149 PolarHBondContact O-N 3.22Å; S43-V151 VanDerWaalsContact CB-CG2 3.42Å; S43-V151 WeakPolarHBondContact OG-CG2 3.49Å |
| 44 | A | 83.8 | Confident | 70.8 | Confident | 34 Ų | 34 | 54.1 Ų | 54.1 | 28% | 0.281 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | P46 L119 W147 | A44-P46 VanDerWaalsContact C-CD 3.48Å; A44-P46 WeakPolarHBondContact O-CD 3.42Å; A44-L119 HydrophobicContact CB-CD2 4.19Å; A44-W147 HydrophobicContact CB-CE3 4.14Å; A44-W147 HydrophobicContact CB-CZ3 3.84Å |
| 45 | S | 71.6 | Confident | 71 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | trans | -109.1 | 82.5 | 179.9 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | Q47 W147 E149 | S45-Q47 VanDerWaalsContact C-N 3.32Å; S45-Q47 PolarHBondContact O-N 3.05Å; S45-W147 PolarHBondContact N-O 2.88Å; S45-E149 WeakPolarHBondContact CB-OE1 3.34Å | ||
| 46 | P | 63.2 | Low | 71.5 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | trans | -71.5 | 91.9 | 172.9 | 33.6 | -37.7 | 0 | 0 | 0 | 108.5 | A44 A48 Y124 | A44-P46 VanDerWaalsContact C-CD 3.48Å; A44-P46 WeakPolarHBondContact O-CD 3.42Å; P46-A48 PolarHBondContact O-N 2.95Å; P46-Y124 VanDerWaalsContact CG-OH 3.26Å; P46-Y124 WeakPolarHBondContact CG-OH 3.22Å | ||
| 47 | Q | 57.6 | Low | 71.7 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 48% | 0.481 | 36% | 0.363 | S | S | . | . | trans | -63 | 123.6 | 166.6 | -72.1 | -175.5 | 21.1 | 0 | 0 | 108.2 | S45 T49 H50 | S45-Q47 VanDerWaalsContact C-N 3.32Å; S45-Q47 PolarHBondContact O-N 3.05Å; Q47-T49 PolarHBondContact O-N 3.49Å; Q47-H50 HydrophobicContact CB-CB 4.49Å; Q47-H50 WeakPolarHBondContact CB-ND1 3.26Å; Q47-H50 WeakPolarHBondContact O-CB 3.13Å; Q47-H50 PolarHBondContact O-N 2.95Å; Q47-H50 PolarHBondContact OE1-CE1 2.91Å; Q47-H50 PolarHBondContact OE1-ND1 3.49Å | ||
| 48 | A | 51.2 | Low | 71.8 | Confident | 104 Ų | 104 | 72 Ų | 72 | 86% | 0.86 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -22.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P46 H50 | P46-A48 PolarHBondContact O-N 2.95Å; A48-H50 VanDerWaalsContact C-N 3.29Å; A48-H50 PolarHBondContact O-N 3.41Å |
| 49 | T | 52.5 | Low | 71.7 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 68% | 0.675 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.9 | 177.5 | 44.2 | 0 | 0 | 0 | 0 | 114.5 | Q47 | Q47-T49 PolarHBondContact O-N 3.49Š|
| 50 | H | 58.2 | Low | 71.7 | Confident | 54 Ų | 54 | 79.6 Ų | 79.6 | 25% | 0.25 | 42% | 0.416 | C | S | . | . | trans | -112.5 | 36 | -167.3 | -69.9 | 98.4 | 0 | 0 | 0 | 114.1 | Q47 A48 H52 L53 L54 | Q47-H50 HydrophobicContact CB-CB 4.49Å; Q47-H50 WeakPolarHBondContact CB-ND1 3.26Å; Q47-H50 WeakPolarHBondContact O-CB 3.13Å; Q47-H50 PolarHBondContact O-N 2.95Å; Q47-H50 PolarHBondContact OE1-CE1 2.91Å; Q47-H50 PolarHBondContact OE1-ND1 3.49Å; A48-H50 VanDerWaalsContact C-N 3.29Å; A48-H50 PolarHBondContact O-N 3.41Å; H50-H52 AromaticContact CD2-CE1 3.68Å; H50-H52 PolarHBondContact O-N 2.81Å; H50-L53 HydrophobicContact CB-CB 3.92Å; H50-L53 HydrophobicContact CB-CD1 3.55Å; H50-L53 HydrophobicContact CB-CG 3.63Å; H50-L53 WeakPolarHBondContact CD2-CD1 3.32Å; H50-L53 VanDerWaalsContact CG-CD1 3.46Å; H50-L53 WeakPolarHBondContact O-CA 3.42Å; H50-L53 WeakPolarHBondContact O-CB 3.41Å; H50-L53 PolarHBondContact O-N 3.16Å; H50-L54 PolarHBondContact O-N 2.97Å | ||
| 51 | H | 57.5 | Low | 71.8 | Confident | 146 Ų | 146 | 83.1 Ų | 83.1 | 68% | 0.676 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26.1 | 178.5 | -146.7 | -42.3 | 0 | 0 | 0 | 113.1 | ||
| 52 | H | 61.6 | Low | 71.7 | Confident | 117 Ų | 117 | 82.3 Ų | 82.3 | 54% | 0.542 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -31.9 | 172.8 | 66 | -84.8 | 0 | 0 | 0 | 113 | H50 L54 K55 | H50-H52 AromaticContact CD2-CE1 3.68Å; H50-H52 PolarHBondContact O-N 2.81Å; H52-L54 PolarHBondContact O-N 3.02Å; H52-K55 WeakPolarHBondContact O-CB 3.22Å; H52-K55 PolarHBondContact O-N 3.34Å |
| 53 | L | 59.4 | Low | 71.5 | Confident | 44 Ų | 44 | 82.9 Ų | 82.9 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -67.2 | -22.9 | 175.3 | -62.3 | -169.1 | 0 | 0 | 0 | 112.5 | H50 K55 W56 P146 | H50-L53 HydrophobicContact CB-CB 3.92Å; H50-L53 HydrophobicContact CB-CD1 3.55Å; H50-L53 HydrophobicContact CB-CG 3.63Å; H50-L53 WeakPolarHBondContact CD2-CD1 3.32Å; H50-L53 VanDerWaalsContact CG-CD1 3.46Å; H50-L53 WeakPolarHBondContact O-CA 3.42Å; H50-L53 WeakPolarHBondContact O-CB 3.41Å; H50-L53 PolarHBondContact O-N 3.16Å; L53-K55 PolarHBondContact O-N 3.04Å; L53-W56 WeakPolarHBondContact O-CB 3.34Å; L53-W56 PolarHBondContact O-N 2.86Å; L53-P146 HydrophobicContact CB-CG 4.02Å; L53-P146 HydrophobicContact CD1-CB 4.25Å; L53-P146 HydrophobicContact CD1-CG 4.09Å; L53-P146 HydrophobicContact CD2-CB 4.46Å; L53-P146 HydrophobicContact CD2-CG 3.79Å; L53-P146 HydrophobicContact CG-CG 4.19Å |
| 54 | L | 61.7 | Low | 71.4 | Confident | 54 Ų | 54 | 87.4 Ų | 87.4 | 28% | 0.283 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -71 | -11 | 171.9 | -61 | 178.1 | 0 | 0 | 0 | 113.2 | H50 H52 W56 Y124 W147 | H50-L54 PolarHBondContact O-N 2.97Å; H52-L54 PolarHBondContact O-N 3.02Å; L54-W56 VanDerWaalsContact C-N 3.32Å; L54-Y124 HydrophobicContact CD2-CD1 4.05Å; L54-Y124 HydrophobicContact CD2-CD2 3.89Å; L54-Y124 HydrophobicContact CD2-CE2 4.41Å; L54-Y124 HydrophobicContact CD2-CG 3.7Å; L54-W147 HydrophobicContact CD2-CG 4.48Å |
| 55 | K | 67 | Low | 71.5 | Confident | 171 Ų | 171 | 86.4 Ų | 86.4 | 74% | 0.743 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -86.1 | -2.3 | 173.3 | -61.8 | -175.4 | 178.9 | 178.8 | 0 | 113.2 | H52 L53 | H52-K55 WeakPolarHBondContact O-CB 3.22Å; H52-K55 PolarHBondContact O-N 3.34Å; L53-K55 PolarHBondContact O-N 3.04Å |
| 56 | W | 75.7 | Confident | 72.4 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 27% | 0.265 | 43% | 0.429 | S | S | . | . | trans | -54.8 | 141 | 175.8 | -177 | 91.9 | 0 | 0 | 0 | 110.8 | L53 L54 P58 C143 P145 | L53-W56 WeakPolarHBondContact O-CB 3.34Å; L53-W56 PolarHBondContact O-N 2.86Å; L54-W56 VanDerWaalsContact C-N 3.32Å; W56-P58 HydrophobicContact CH2-CB 3.78Å; W56-P58 HydrophobicContact CH2-CG 4.47Å; W56-P58 HydrophobicContact CZ3-CB 4.09Å; W56-P58 HydrophobicContact CZ3-CG 4.29Å; W56-C143 HydrophobicContact CH2-CB 4.26Å; W56-C143 VanDerWaalsContact CH2-O 3.3Å; W56-C143 WeakPolarHBondContact CH2-O 3.44Å; W56-C143 HydrophobicContact CZ2-CB 4.14Å; W56-P145 HydrophobicContact CB-CB 4.44Å; W56-P145 HydrophobicContact CD2-CB 3.89Å; W56-P145 HydrophobicContact CE3-CB 3.59Å; W56-P145 HydrophobicContact CE3-CG 4.39Å; W56-P145 HydrophobicContact CG-CB 4.27Å; W56-P145 HydrophobicContact CZ3-CB 4.13Å; W56-P145 HydrophobicContact CZ3-CG 4.5Å | ||
| 57 | R | 77.5 | Confident | 73.6 | Confident | 211 Ų | 211 | 85.2 Ų | 85.2 | 80% | 0.796 | 43% | 0.425 | S | S | * | . | trans | -136.5 | 140.9 | 175.4 | -66.5 | -172.6 | -178.6 | -168 | 2.6 | 109.8 | ||||
| 58 | P | 83.3 | Confident | 75 | Confident | 15 Ų | 15 | 83.7 Ų | 83.7 | 10% | 0.097 | 43% | 0.43 | C | S | . | . | trans | -66.9 | 160 | 169.4 | 30 | -35.5 | 0 | 0 | 0 | 111.5 | W56 M62 L63 D122 | W56-P58 HydrophobicContact CH2-CB 3.78Å; W56-P58 HydrophobicContact CH2-CG 4.47Å; W56-P58 HydrophobicContact CZ3-CB 4.09Å; W56-P58 HydrophobicContact CZ3-CG 4.29Å; P58-M62 HydrophobicContact CB-CE 3.33Å; P58-M62 HydrophobicContact CG-CE 4.15Å; P58-L63 HydrophobicContact CB-CG 4.37Å; P58-L63 HydrophobicContact CG-CD1 3.72Å; P58-L63 HydrophobicContact CG-CD2 3.99Å; P58-L63 HydrophobicContact CG-CG 3.83Å; P58-D122 HydrophobicContact CG-CB 4.28Å | ||
| 59 | G | 84.3 | Confident | 76.6 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | trans | -57.9 | 138.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E61 L63 | G59-E61 VanDerWaalsContact C-N 3.26Å; G59-E61 PolarHBondContact O-N 3.37Å; G59-L63 PolarHBondContact O-N 3.48Å | ||
| 60 | M | 86.1 | Confident | 78.2 | Confident | 122 Ų | 122 | 74 Ų | 74 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.9 | -29.7 | -179 | -80.3 | -59.4 | -48.9 | 0 | 0 | 112.9 | L63 K64 | M60-L63 PolarHBondContact O-N 2.85Å; M60-L63 HydrophobicContact SD-CD1 4.3Å; M60-K64 WeakPolarHBondContact O-CG 3.42Å; M60-K64 PolarHBondContact O-N 2.88Å |
| 61 | E | 86.1 | Confident | 79.4 | Confident | 153 Ų | 153 | 78.2 Ų | 78.2 | 72% | 0.715 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67 | -49.2 | 179.4 | -67.2 | 179 | 161.2 | 0 | 0 | 111.5 | G59 L63 K64 S65 | G59-E61 VanDerWaalsContact C-N 3.26Å; G59-E61 PolarHBondContact O-N 3.37Å; E61-L63 VanDerWaalsContact C-N 3.26Å; E61-L63 PolarHBondContact O-N 2.83Å; E61-K64 WeakPolarHBondContact O-CA 3.34Å; E61-K64 WeakPolarHBondContact O-CB 3.44Å; E61-K64 PolarHBondContact O-N 3.42Å; E61-S65 PolarHBondContact O-N 2.93Å; E61-S65 PolarHBondContact O-OG 3Å |
| 62 | M | 87.6 | Confident | 80.5 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 9% | 0.094 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -55.8 | -41 | 174.1 | 179 | -149.1 | 70.4 | 0 | 0 | 111.8 | P58 S65 M66 F140 C143 | P58-M62 HydrophobicContact CB-CE 3.33Å; P58-M62 HydrophobicContact CG-CE 4.15Å; M62-S65 PolarHBondContact O-N 2.99Å; M62-M66 WeakPolarHBondContact O-CB 3.4Å; M62-M66 PolarHBondContact O-N 3.35Å; M62-F140 HydrophobicContact CG-CD1 4.3Å; M62-C143 HydrophobicContact SD-CB 4.08Å |
| 63 | L | 86.6 | Confident | 81.1 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 175.3 | -73.1 | -177.7 | 0 | 0 | 0 | 112.5 | P58 G59 M60 E61 M66 F67 | P58-L63 HydrophobicContact CB-CG 4.37Å; P58-L63 HydrophobicContact CG-CD1 3.72Å; P58-L63 HydrophobicContact CG-CD2 3.99Å; P58-L63 HydrophobicContact CG-CG 3.83Å; G59-L63 PolarHBondContact O-N 3.48Å; M60-L63 PolarHBondContact O-N 2.85Å; M60-L63 HydrophobicContact SD-CD1 4.3Å; E61-L63 VanDerWaalsContact C-N 3.26Å; E61-L63 PolarHBondContact O-N 2.83Å; L63-M66 HydrophobicContact CD2-CE 4.15Å; L63-M66 PolarHBondContact O-N 3.15Å; L63-F67 HydrophobicContact CB-CE2 4.09Å; L63-F67 HydrophobicContact CB-CZ 4.2Å; L63-F67 HydrophobicContact CD2-CZ 4.47Å; L63-F67 WeakPolarHBondContact O-CD2 3.23Å; L63-F67 WeakPolarHBondContact O-CG 3.41Å; L63-F67 PolarHBondContact O-N 3.02Å |
| 64 | K | 87.5 | Confident | 81.5 | Confident | 135 Ų | 135 | 75.2 Ų | 75.2 | 59% | 0.587 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | 176.2 | -73.4 | 174.5 | 179.9 | -179.2 | 0 | 111.4 | M60 E61 M66 F67 A68 | M60-K64 WeakPolarHBondContact O-CG 3.42Å; M60-K64 PolarHBondContact O-N 2.88Å; E61-K64 WeakPolarHBondContact O-CA 3.34Å; E61-K64 WeakPolarHBondContact O-CB 3.44Å; E61-K64 PolarHBondContact O-N 3.42Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 2.85Å; K64-F67 PolarHBondContact O-N 3.03Å; K64-A68 PolarHBondContact O-N 2.77Å |
| 65 | S | 86.5 | Confident | 82 | Confident | 12 Ų | 12 | 74 Ų | 74 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 177 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | E61 M62 A68 F69 | E61-S65 PolarHBondContact O-N 2.93Å; E61-S65 PolarHBondContact O-OG 3Å; M62-S65 PolarHBondContact O-N 2.99Å; S65-A68 PolarHBondContact O-N 3.45Å; S65-F69 WeakPolarHBondContact O-CB 3.36Å; S65-F69 PolarHBondContact O-N 3.39Å |
| 66 | M | 89.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 172.9 | -173.4 | -171 | 74.4 | 0 | 0 | 111 | M62 L63 K64 A68 F69 Y70 V93 L101 R103 F140 | M62-M66 WeakPolarHBondContact O-CB 3.4Å; M62-M66 PolarHBondContact O-N 3.35Å; L63-M66 HydrophobicContact CD2-CE 4.15Å; L63-M66 PolarHBondContact O-N 3.15Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 2.85Å; M66-A68 VanDerWaalsContact C-N 3.35Å; M66-A68 PolarHBondContact O-N 3.04Å; M66-F69 WeakPolarHBondContact O-CB 3.49Å; M66-F69 PolarHBondContact O-N 3.14Å; M66-F69 VanDerWaalsContact O-N 3.15Å; M66-Y70 HydrophobicContact CG-CD2 3.78Å; M66-Y70 HydrophobicContact CG-CE2 3.7Å; M66-Y70 VanDerWaalsContact O-CD2 3.28Å; M66-Y70 WeakPolarHBondContact O-CD2 3.46Å; M66-Y70 PolarHBondContact O-N 3.15Å; M66-Y70 VanDerWaalsContact O-N 3.14Å; M66-V93 HydrophobicContact SD-CG2 4.08Å; M66-L101 HydrophobicContact CE-CB 4.31Å; M66-R103 HydrophobicContact CE-CG 4.09Å; M66-R103 HydrophobicContact SD-CG 3.42Å; M66-R103 WeakPolarHBondContact SD-CG 3.36Å; M66-F140 VanDerWaalsContact CA-CZ 3.46Å; M66-F140 HydrophobicContact CB-CD1 3.77Å; M66-F140 HydrophobicContact CB-CD2 4.03Å; M66-F140 HydrophobicContact CB-CE1 3.92Å; M66-F140 HydrophobicContact CB-CE2 4.19Å; M66-F140 HydrophobicContact CB-CG 3.84Å; M66-F140 HydrophobicContact CB-CZ 4.15Å; M66-F140 HydrophobicContact CG-CB 4.3Å; M66-F140 HydrophobicContact CG-CD1 4.28Å; M66-F140 HydrophobicContact CG-CD2 3.71Å; M66-F140 HydrophobicContact CG-CE2 4.12Å; M66-F140 HydrophobicContact CG-CG 3.82Å; M66-F140 HydrophobicContact SD-CB 4.44Å |
| 67 | F | 89 | Confident | 82 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 179.8 | -59.4 | -29.9 | 0 | 0 | 0 | 111.7 | L63 K64 F69 Y70 D71 L101 | L63-F67 HydrophobicContact CB-CE2 4.09Å; L63-F67 HydrophobicContact CB-CZ 4.2Å; L63-F67 HydrophobicContact CD2-CZ 4.47Å; L63-F67 WeakPolarHBondContact O-CD2 3.23Å; L63-F67 WeakPolarHBondContact O-CG 3.41Å; L63-F67 PolarHBondContact O-N 3.02Å; K64-F67 PolarHBondContact O-N 3.03Å; F67-F69 VanDerWaalsContact C-N 3.29Å; F67-F69 PolarHBondContact O-N 2.92Å; F67-Y70 PolarHBondContact O-N 2.95Å; F67-D71 WeakPolarHBondContact O-CB 3.39Å; F67-D71 PolarHBondContact O-N 3.41Å; F67-L101 HydrophobicContact CD1-CB 3.79Å; F67-L101 HydrophobicContact CD1-CD1 4.03Å; F67-L101 HydrophobicContact CD1-CG 4.46Å; F67-L101 HydrophobicContact CE1-CB 3.85Å; F67-L101 WeakPolarHBondContact CE1-O 3.46Å |
| 68 | A | 86.2 | Confident | 81.5 | Confident | 70 Ų | 70 | 61 Ų | 61 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.8 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | K64 S65 M66 | K64-A68 PolarHBondContact O-N 2.77Å; S65-A68 PolarHBondContact O-N 3.45Å; M66-A68 VanDerWaalsContact C-N 3.35Å; M66-A68 PolarHBondContact O-N 3.04Å |
| 69 | F | 84.2 | Confident | 81.3 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 179.5 | -179.7 | -97.4 | 0 | 0 | 0 | 113.1 | L27 F32 S65 M66 F67 L79 Y137 F140 | L27-F69 HydrophobicContact CD2-CD2 3.9Å; L27-F69 HydrophobicContact CD2-CE2 4.25Å; F32-F69 HydrophobicContact CD2-CZ 4.13Å; S65-F69 WeakPolarHBondContact O-CB 3.36Å; S65-F69 PolarHBondContact O-N 3.39Å; M66-F69 WeakPolarHBondContact O-CB 3.49Å; M66-F69 PolarHBondContact O-N 3.14Å; M66-F69 VanDerWaalsContact O-N 3.15Å; F67-F69 VanDerWaalsContact C-N 3.29Å; F67-F69 PolarHBondContact O-N 2.92Å; F69-L79 HydrophobicContact CD1-CD1 4.19Å; F69-L79 HydrophobicContact CE1-CD1 3.41Å; F69-L79 VanDerWaalsContact CE1-CD1 3.41Å; F69-L79 HydrophobicContact CZ-CD1 4.16Å; F69-Y137 HydrophobicContact CE1-CD1 4.46Å; F69-Y137 HydrophobicContact CE1-CD2 4.39Å; F69-Y137 HydrophobicContact CE1-CG 4.03Å; F69-Y137 HydrophobicContact CZ-CD1 4.19Å; F69-Y137 AromaticContact CZ-CD2 3.99Å; F69-Y137 HydrophobicContact CZ-CD2 3.99Å; F69-Y137 HydrophobicContact CZ-CE2 4.33Å; F69-Y137 AromaticContact CZ-CG 3.92Å; F69-Y137 HydrophobicContact CZ-CG 3.92Å; F69-F140 HydrophobicContact CB-CE2 3.75Å; F69-F140 HydrophobicContact CB-CZ 3.7Å; F69-F140 AromaticContact CD1-CE2 3.64Å; F69-F140 HydrophobicContact CD1-CE2 3.64Å; F69-F140 HydrophobicContact CD1-CZ 4.4Å; F69-F140 HydrophobicContact CD2-CE2 4.47Å; F69-F140 HydrophobicContact CE1-CE2 4.29Å; F69-F140 AromaticContact CG-CE2 3.72Å; F69-F140 HydrophobicContact CG-CE2 3.72Å; F69-F140 HydrophobicContact CG-CZ 4.01Å |
| 70 | Y | 86.8 | Confident | 81.3 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -83.5 | -11 | -179.8 | -73.6 | -84.6 | 0 | 0 | 0 | 113.7 | M66 F67 N72 L79 V93 L101 Y134 F135 L136 Y137 F140 | M66-Y70 HydrophobicContact CG-CD2 3.78Å; M66-Y70 HydrophobicContact CG-CE2 3.7Å; M66-Y70 VanDerWaalsContact O-CD2 3.28Å; M66-Y70 WeakPolarHBondContact O-CD2 3.46Å; M66-Y70 PolarHBondContact O-N 3.15Å; M66-Y70 VanDerWaalsContact O-N 3.14Å; F67-Y70 PolarHBondContact O-N 2.95Å; Y70-N72 PolarHBondContact O-N 3.46Å; Y70-L79 HydrophobicContact CD1-CD1 3.89Å; Y70-L79 HydrophobicContact CE1-CB 4.09Å; Y70-L79 HydrophobicContact CE1-CD1 3.51Å; Y70-L79 HydrophobicContact CE1-CD2 4.48Å; Y70-L79 HydrophobicContact CE1-CG 4.25Å; Y70-V93 HydrophobicContact CD2-CG1 4.49Å; Y70-V93 HydrophobicContact CE1-CB 4.27Å; Y70-V93 HydrophobicContact CE1-CG2 4.34Å; Y70-V93 HydrophobicContact CE2-CB 4.35Å; Y70-V93 HydrophobicContact CE2-CG1 4.45Å; Y70-V93 HydrophobicContact CE2-CG2 3.74Å; Y70-L101 VanDerWaalsContact CB-CD1 3.49Å; Y70-L101 HydrophobicContact CG-CD1 4.28Å; Y70-Y134 AromaticContact CD1-CD2 3.95Å; Y70-Y134 HydrophobicContact CD1-CD2 3.95Å; Y70-Y134 AromaticContact CD1-CG 3.93Å; Y70-Y134 HydrophobicContact CD1-CG 3.93Å; Y70-Y134 VanDerWaalsContact CE1-CB 3.48Å; Y70-Y134 HydrophobicContact CE1-CD2 4.29Å; Y70-Y134 HydrophobicContact CE1-CG 4.04Å; Y70-F135 PolarHBondContact OH-O 2.81Å; Y70-L136 WeakPolarHBondContact OH-CA 3.46Å; Y70-Y137 PolarHBondContact OH-N 3.17Å; Y70-F140 AromaticContact CE2-CD2 3.96Å; Y70-F140 HydrophobicContact CE2-CD2 3.96Å; Y70-F140 HydrophobicContact CE2-CE2 4.11Å |
| 71 | D | 83.9 | Confident | 81 | Confident | 144 Ų | 144 | 54.3 Ų | 54.3 | 77% | 0.77 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -17.7 | 174.9 | -151.5 | 42.7 | 0 | 0 | 0 | 112.2 | F67 S73 | F67-D71 WeakPolarHBondContact O-CB 3.39Å; F67-D71 PolarHBondContact O-N 3.41Å; D71-S73 PolarHBondContact O-N 3.02Å |
| 72 | N | 79.8 | Confident | 80.5 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -71.2 | 119.2 | 172.3 | -179.1 | -72.7 | 0 | 0 | 0 | 110.7 | Y70 D74 R75 S76 | Y70-N72 PolarHBondContact O-N 3.46Å; N72-D74 VanDerWaalsContact C-N 3.35Å; N72-D74 PolarHBondContact O-N 3.07Å; N72-D74 PolarHBondContact OD1-N 3.3Å; N72-D74 VanDerWaalsContact OD1-N 3.1Å; N72-R75 HydrophobicContact CB-CB 4.19Å; N72-R75 HydrophobicContact CB-CG 4.22Å; N72-R75 PolarHBondContact O-N 3.39Å; N72-R75 PolarHBondContact OD1-N 3.09Å; N72-S76 WeakPolarHBondContact O-CB 3.37Å; N72-S76 PolarHBondContact O-N 2.92Å; N72-S76 PolarHBondContact O-OG 2.82Å |
| 73 | S | 75.5 | Confident | 80 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 57% | 0.573 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.5 | -43.1 | -175.9 | 54 | 0 | 0 | 0 | 0 | 113.2 | D71 S76 R77 | D71-S73 PolarHBondContact O-N 3.02Å; S73-S76 WeakPolarHBondContact CA-OG 3.34Å; S73-S76 PolarHBondContact O-N 3.03Å; S73-S76 PolarHBondContact O-OG 2.87Å; S73-R77 WeakPolarHBondContact O-CB 3.09Å; S73-R77 PolarHBondContact O-N 3.38Å |
| 74 | D | 66.3 | Low | 79.1 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.9 | -47 | -178.1 | -62.6 | -28.1 | 0 | 0 | 0 | 110.5 | N72 S76 R77 L78 | N72-D74 VanDerWaalsContact C-N 3.35Å; N72-D74 PolarHBondContact O-N 3.07Å; N72-D74 PolarHBondContact OD1-N 3.3Å; N72-D74 VanDerWaalsContact OD1-N 3.1Å; D74-S76 PolarHBondContact O-N 2.93Å; D74-R77 PolarHBondContact O-N 2.78Å; D74-L78 WeakPolarHBondContact O-CD1 3.43Å; D74-L78 WeakPolarHBondContact O-CG 3.26Å; D74-L78 PolarHBondContact O-N 3.45Å; D74-L78 VanDerWaalsContact O-N 3.16Å |
| 75 | R | 72.1 | Confident | 78.6 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 176.3 | -67.9 | -179.8 | -167.9 | 162.9 | 2.6 | 112.2 | L27 S28 N72 R77 L78 L79 | L27-R75 PolarHBondContact O-NH1 2.85Å; L27-R75 PolarHBondContact O-NH2 2.94Å; S28-R75 PolarHBondContact O-NH2 2.85Å; N72-R75 HydrophobicContact CB-CB 4.19Å; N72-R75 HydrophobicContact CB-CG 4.22Å; N72-R75 PolarHBondContact O-N 3.39Å; N72-R75 PolarHBondContact OD1-N 3.09Å; R75-R77 VanDerWaalsContact C-N 3.32Å; R75-R77 PolarHBondContact O-N 3.3Å; R75-L78 WeakPolarHBondContact O-CB 3.44Å; R75-L78 PolarHBondContact O-N 2.87Å; R75-L78 VanDerWaalsContact O-N 3.16Å; R75-L79 HydrophobicContact CB-CD1 4.28Å; R75-L79 WeakPolarHBondContact O-CB 3.41Å; R75-L79 WeakPolarHBondContact O-CD1 3.43Å; R75-L79 WeakPolarHBondContact O-CG 3.44Å; R75-L79 PolarHBondContact O-N 3.35Å |
| 76 | S | 74.4 | Confident | 78.5 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -46.4 | 179.3 | 71.7 | 0 | 0 | 0 | 0 | 111 | N72 S73 D74 L78 L79 T80 Y134 | N72-S76 WeakPolarHBondContact O-CB 3.37Å; N72-S76 PolarHBondContact O-N 2.92Å; N72-S76 PolarHBondContact O-OG 2.82Å; S73-S76 WeakPolarHBondContact CA-OG 3.34Å; S73-S76 PolarHBondContact O-N 3.03Å; S73-S76 PolarHBondContact O-OG 2.87Å; D74-S76 PolarHBondContact O-N 2.93Å; S76-L78 VanDerWaalsContact C-N 3.27Å; S76-L78 PolarHBondContact O-N 2.81Å; S76-L79 PolarHBondContact O-N 2.5Å; S76-T80 PolarHBondContact O-N 2.76Å; S76-T80 PolarHBondContact O-OG1 3.41Å; S76-Y134 WeakPolarHBondContact O-CD1 3.33Å |
| 77 | R | 69 | Low | 78.3 | Confident | 151 Ų | 151 | 51.8 Ų | 51.8 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60 | -36.1 | 177.3 | -176.1 | 178.4 | 175.9 | 177.4 | 0.5 | 112.8 | S73 D74 R75 T80 | S73-R77 WeakPolarHBondContact O-CB 3.09Å; S73-R77 PolarHBondContact O-N 3.38Å; D74-R77 PolarHBondContact O-N 2.78Å; R75-R77 VanDerWaalsContact C-N 3.32Å; R75-R77 PolarHBondContact O-N 3.3Å; R77-T80 PolarHBondContact O-OG1 3.16Å |
| 78 | L | 66.9 | Low | 78.3 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.3 | -38.8 | 179.3 | -68.8 | 160.1 | 0 | 0 | 0 | 112.9 | F32 D74 R75 S76 T80 L274 L276 R291 | F32-L78 HydrophobicContact CD1-CB 4.35Å; F32-L78 HydrophobicContact CE1-CB 4.13Å; D74-L78 WeakPolarHBondContact O-CD1 3.43Å; D74-L78 WeakPolarHBondContact O-CG 3.26Å; D74-L78 PolarHBondContact O-N 3.45Å; D74-L78 VanDerWaalsContact O-N 3.16Å; R75-L78 WeakPolarHBondContact O-CB 3.44Å; R75-L78 PolarHBondContact O-N 2.87Å; R75-L78 VanDerWaalsContact O-N 3.16Å; S76-L78 VanDerWaalsContact C-N 3.27Å; S76-L78 PolarHBondContact O-N 2.81Å; L78-T80 VanDerWaalsContact C-N 3.26Å; L78-T80 PolarHBondContact O-N 2.57Å; L78-L274 HydrophobicContact CD1-CB 3.34Å; L78-L274 HydrophobicContact CD1-CD1 3.38Å; L78-L274 HydrophobicContact CD1-CD2 3.58Å; L78-L274 HydrophobicContact CD1-CG 3.53Å; L78-L274 HydrophobicContact CD2-CB 3.87Å; L78-L274 WeakPolarHBondContact CD2-O 3.28Å; L78-L274 HydrophobicContact CG-CB 4.22Å; L78-L276 HydrophobicContact CD2-CD1 3.99Å; L78-L276 HydrophobicContact CD2-CD2 3.68Å; L78-L276 HydrophobicContact CD2-CG 3.71Å; L78-R291 HydrophobicContact CD2-CG 4.12Å; L78-R291 PolarHBondContact O-NH1 2.79Å |
| 79 | L | 79.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.3 | -14.2 | 179.1 | -72.9 | 156.5 | 0 | 0 | 0 | 112 | F32 V37 F69 Y70 R75 S76 V81 Y134 F135 | F32-L79 HydrophobicContact CD2-CD2 4.24Å; F32-L79 HydrophobicContact CE1-CD2 4.12Å; F32-L79 HydrophobicContact CE1-CG 4.17Å; F32-L79 HydrophobicContact CE2-CD1 4.49Å; F32-L79 HydrophobicContact CE2-CD2 3.29Å; F32-L79 HydrophobicContact CE2-CG 3.99Å; F32-L79 HydrophobicContact CZ-CD2 3.21Å; F32-L79 HydrophobicContact CZ-CG 3.74Å; V37-L79 HydrophobicContact CG1-CD2 3.97Å; F69-L79 HydrophobicContact CD1-CD1 4.19Å; F69-L79 HydrophobicContact CE1-CD1 3.41Å; F69-L79 VanDerWaalsContact CE1-CD1 3.41Å; F69-L79 HydrophobicContact CZ-CD1 4.16Å; Y70-L79 HydrophobicContact CD1-CD1 3.89Å; Y70-L79 HydrophobicContact CE1-CB 4.09Å; Y70-L79 HydrophobicContact CE1-CD1 3.51Å; Y70-L79 HydrophobicContact CE1-CD2 4.48Å; Y70-L79 HydrophobicContact CE1-CG 4.25Å; R75-L79 HydrophobicContact CB-CD1 4.28Å; R75-L79 WeakPolarHBondContact O-CB 3.41Å; R75-L79 WeakPolarHBondContact O-CD1 3.43Å; R75-L79 WeakPolarHBondContact O-CG 3.44Å; R75-L79 PolarHBondContact O-N 3.35Å; S76-L79 PolarHBondContact O-N 2.5Å; L79-V81 PolarHBondContact O-N 3.31Å; L79-V81 VanDerWaalsContact O-N 3.17Å; L79-Y134 HydrophobicContact CB-CD1 4.49Å; L79-Y134 CarbonylContact O-C 3.47Å; L79-Y134 WeakPolarHBondContact O-CA 3.26Å; L79-F135 HydrophobicContact CD2-CB 3.96Å; L79-F135 VanDerWaalsContact O-CD2 3.22Å; L79-F135 WeakPolarHBondContact O-CD2 2.97Å; L79-F135 PolarHBondContact O-N 3.39Å |
| 80 | T | 82.8 | Confident | 78.9 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -50.5 | 123.8 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 111 | S76 R77 L78 I133 R291 | S76-T80 PolarHBondContact O-N 2.76Å; S76-T80 PolarHBondContact O-OG1 3.41Å; R77-T80 PolarHBondContact O-OG1 3.16Å; L78-T80 VanDerWaalsContact C-N 3.26Å; L78-T80 PolarHBondContact O-N 2.57Å; T80-I133 CarbonylContact C-O 3.56Å; T80-I133 WeakPolarHBondContact CA-O 3.03Å; T80-R291 PolarHBondContact O-NH1 2.99Å |
| 81 | V | 81.3 | Confident | 79.3 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 119 | 178.5 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | L79 L85 M86 V92 I133 F135 | L79-V81 PolarHBondContact O-N 3.31Å; L79-V81 VanDerWaalsContact O-N 3.17Å; V81-L85 HydrophobicContact CG1-CB 4.26Å; V81-M86 HydrophobicContact CB-CE 3.89Å; V81-M86 HydrophobicContact CG1-CE 3.77Å; V81-M86 HydrophobicContact CG1-CG 3.54Å; V81-M86 VanDerWaalsContact O-CE 3.31Å; V81-M86 WeakPolarHBondContact O-CE 3.16Å; V81-V92 HydrophobicContact CG2-CG1 4.44Å; V81-I133 HydrophobicContact CB-CB 4.5Å; V81-I133 HydrophobicContact CB-CG2 4.06Å; V81-I133 HydrophobicContact CG2-CG2 4.08Å; V81-I133 PolarHBondContact N-O 2.85Å; V81-F135 HydrophobicContact CB-CE2 4.36Å; V81-F135 HydrophobicContact CB-CZ 4.49Å; V81-F135 HydrophobicContact CG1-CE1 4.25Å; V81-F135 HydrophobicContact CG1-CE2 4.39Å; V81-F135 HydrophobicContact CG1-CZ 4.04Å; V81-F135 HydrophobicContact CG2-CB 4.25Å; V81-F135 HydrophobicContact CG2-CD1 3.93Å; V81-F135 HydrophobicContact CG2-CD2 3.69Å; V81-F135 HydrophobicContact CG2-CE1 4.17Å; V81-F135 HydrophobicContact CG2-CE2 3.91Å; V81-F135 HydrophobicContact CG2-CG 3.68Å; V81-F135 HydrophobicContact CG2-CZ 4.15Å |
| 82 | E | 75.9 | Confident | 79.7 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 29% | 0.285 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -78.2 | 154.5 | 168.9 | -60.5 | -66.5 | 177.1 | 0 | 0 | 110.1 | E84 L85 K294 | E82-E84 PolarHBondContact O-N 2.81Å; E82-E84 VanDerWaalsContact O-N 3.09Å; E82-L85 PolarHBondContact O-N 2.69Å; E82-K294 WeakPolarHBondContact OE1-CE 3.48Å; E82-K294 IonicContact OE1-NZ 3.96Å; E82-K294 PolarHBondContact OE1-NZ 2.65Å |
| 83 | K | 75.7 | Confident | 80.4 | Confident | 112 Ų | 112 | 42.6 Ų | 42.6 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -56 | -32.9 | -174.4 | -65.7 | -179.5 | 179.4 | 173.4 | 0 | 112.5 | L85 M86 P110 G114 | K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.35Å; K83-M86 WeakPolarHBondContact O-CB 3.08Å; K83-M86 PolarHBondContact O-N 3.31Å; K83-P110 HydrophobicContact CB-CB 4.35Å; K83-P110 HydrophobicContact CB-CG 3.99Å; K83-P110 HydrophobicContact CD-CB 3.9Å; K83-P110 HydrophobicContact CD-CG 4.32Å; K83-P110 HydrophobicContact CG-CB 4Å; K83-P110 HydrophobicContact CG-CG 3.84Å; K83-G114 VanDerWaalsContact NZ-CA 3.26Å |
| 84 | E | 69.3 | Low | 81.3 | Confident | 90 Ų | 90 | 38.7 Ų | 38.7 | 42% | 0.421 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -71.7 | -25 | -178.2 | -60.9 | 93.5 | 150.7 | 0 | 0 | 114 | E82 M86 K238 | E82-E84 PolarHBondContact O-N 2.81Å; E82-E84 VanDerWaalsContact O-N 3.09Å; E84-M86 VanDerWaalsContact C-N 3.28Å; E84-K238 IonicContact OE1-NZ 4Å; E84-K238 PolarHBondContact OE1-NZ 2.96Å |
| 85 | L | 75.4 | Confident | 82.5 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -89.6 | -1 | 177.7 | -59.4 | 176.6 | 0 | 0 | 0 | 111.8 | V81 E82 K83 Q90 F135 W159 | V81-L85 HydrophobicContact CG1-CB 4.26Å; E82-L85 PolarHBondContact O-N 2.69Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.35Å; L85-Q90 PolarHBondContact O-OE1 2.95Å; L85-F135 HydrophobicContact CB-CZ 3.85Å; L85-F135 HydrophobicContact CD1-CE2 4.13Å; L85-F135 HydrophobicContact CD1-CZ 3.76Å; L85-F135 HydrophobicContact CG-CZ 4.44Å; L85-W159 HydrophobicContact CD1-CH2 4.48Å |
| 86 | M | 84.3 | Confident | 83.2 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | trans | -81.6 | 134 | 178 | -62.3 | -175.6 | -167.9 | 0 | 0 | 111.6 | V81 K83 E84 Q90 L109 P110 L116 I133 | V81-M86 HydrophobicContact CB-CE 3.89Å; V81-M86 HydrophobicContact CG1-CE 3.77Å; V81-M86 HydrophobicContact CG1-CG 3.54Å; V81-M86 VanDerWaalsContact O-CE 3.31Å; V81-M86 WeakPolarHBondContact O-CE 3.16Å; K83-M86 WeakPolarHBondContact O-CB 3.08Å; K83-M86 PolarHBondContact O-N 3.31Å; E84-M86 VanDerWaalsContact C-N 3.28Å; M86-Q90 VanDerWaalsContact CA-OE1 3.27Å; M86-L109 HydrophobicContact CB-CD2 4.05Å; M86-L109 VanDerWaalsContact O-CD2 3.31Å; M86-L109 WeakPolarHBondContact O-CD2 3.37Å; M86-P110 HydrophobicContact SD-CG 3.72Å; M86-L116 HydrophobicContact SD-CD1 3.93Å; M86-L116 HydrophobicContact SD-CD2 4.09Å; M86-I133 HydrophobicContact CE-CB 4.03Å; M86-I133 HydrophobicContact CE-CD1 3.54Å; M86-I133 HydrophobicContact CE-CG1 4.41Å; M86-I133 HydrophobicContact CE-CG2 4Å; M86-I133 HydrophobicContact SD-CD1 4.25Å | ||
| 87 | F | 85.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.022 | 18% | 0.177 | C | C | . | . | trans | -131.8 | 151.3 | 169.5 | 58.4 | -86.1 | 0 | 0 | 0 | 110.9 | L39 E41 G89 Q90 V106 F157 | L39-F87 HydrophobicContact CD2-CE1 4.41Å; L39-F87 WeakPolarHBondContact O-CZ 3.26Å; E41-F87 HydrophobicContact CB-CE2 4.32Å; F87-G89 PolarHBondContact O-N 3.19Å; F87-Q90 HydrophobicContact CD1-CB 4.06Å; F87-Q90 HydrophobicContact CD1-CG 4.21Å; F87-Q90 HydrophobicContact CD2-CB 3.85Å; F87-Q90 HydrophobicContact CE1-CB 3.83Å; F87-Q90 VanDerWaalsContact CE1-CD 3.46Å; F87-Q90 HydrophobicContact CE1-CG 3.62Å; F87-Q90 HydrophobicContact CE2-CB 3.59Å; F87-Q90 HydrophobicContact CE2-CG 4.13Å; F87-Q90 HydrophobicContact CG-CB 4.06Å; F87-Q90 HydrophobicContact CZ-CB 3.57Å; F87-Q90 HydrophobicContact CZ-CG 3.56Å; F87-Q90 WeakPolarHBondContact O-CB 3.38Å; F87-Q90 PolarHBondContact O-N 2.85Å; F87-Q90 VanDerWaalsContact O-N 3.13Å; F87-V106 WeakPolarHBondContact O-CB 3.42Å; F87-V106 WeakPolarHBondContact O-CG1 3.41Å; F87-F157 HydrophobicContact CD1-CD2 4.35Å; F87-F157 HydrophobicContact CD1-CE2 4.13Å; F87-F157 HydrophobicContact CE1-CD2 4.48Å | ||
| 88 | R | 89.8 | Confident | 84.2 | Confident | 169 Ų | 169 | 36.8 Ų | 36.8 | 64% | 0.638 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 132.8 | 173.6 | -178.3 | 177.2 | 178.7 | -172.8 | -2 | 109.5 | Q90 | R88-Q90 VanDerWaalsContact C-N 3.34Š|
| 89 | G | 90.6 | Very high | 84.9 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -2.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y42 F87 V106 | Y42-G89 PolarHBondContact N-O 3.45Å; Y42-G89 WeakPolarHBondContact O-CA 3.37Å; F87-G89 PolarHBondContact O-N 3.19Å; G89-V106 PolarHBondContact N-O 3.49Å |
| 90 | Q | 92.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -69.6 | 138.7 | 175.7 | -171.8 | 178.7 | 17.5 | 0 | 0 | 111.6 | L85 M86 F87 R88 V92 I105 V106 F135 | L85-Q90 PolarHBondContact O-OE1 2.95Å; M86-Q90 VanDerWaalsContact CA-OE1 3.27Å; F87-Q90 HydrophobicContact CD1-CB 4.06Å; F87-Q90 HydrophobicContact CD1-CG 4.21Å; F87-Q90 HydrophobicContact CD2-CB 3.85Å; F87-Q90 HydrophobicContact CE1-CB 3.83Å; F87-Q90 VanDerWaalsContact CE1-CD 3.46Å; F87-Q90 HydrophobicContact CE1-CG 3.62Å; F87-Q90 HydrophobicContact CE2-CB 3.59Å; F87-Q90 HydrophobicContact CE2-CG 4.13Å; F87-Q90 HydrophobicContact CG-CB 4.06Å; F87-Q90 HydrophobicContact CZ-CB 3.57Å; F87-Q90 HydrophobicContact CZ-CG 3.56Å; F87-Q90 WeakPolarHBondContact O-CB 3.38Å; F87-Q90 PolarHBondContact O-N 2.85Å; F87-Q90 VanDerWaalsContact O-N 3.13Å; R88-Q90 VanDerWaalsContact C-N 3.34Å; Q90-V92 HydrophobicContact CG-CG1 4.07Å; Q90-I105 WeakPolarHBondContact O-CA 3.47Å; Q90-V106 HydrophobicContact CB-CB 4.43Å; Q90-V106 HydrophobicContact CB-CG2 4.19Å; Q90-V106 PolarHBondContact O-N 3.25Å; Q90-F135 VanDerWaalsContact NE2-CE1 3.32Å | ||
| 91 | L | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 133.1 | 169.3 | -59.1 | -177.5 | 0 | 0 | 0 | 110.9 | E38 Y42 S104 I105 I121 L136 F144 L148 | E38-L91 HydrophobicContact CG-CB 4.37Å; E38-L91 HydrophobicContact CG-CD1 4.16Å; Y42-L91 HydrophobicContact CD1-CD1 4.48Å; Y42-L91 HydrophobicContact CD2-CD1 3.59Å; Y42-L91 HydrophobicContact CD2-CD2 4.25Å; Y42-L91 HydrophobicContact CD2-CG 3.54Å; Y42-L91 HydrophobicContact CE1-CD1 4.38Å; Y42-L91 HydrophobicContact CE2-CD1 3.47Å; Y42-L91 VanDerWaalsContact CE2-CD1 3.47Å; Y42-L91 HydrophobicContact CE2-CG 3.85Å; Y42-L91 HydrophobicContact CG-CD1 4.1Å; Y42-L91 HydrophobicContact CG-CD2 4.43Å; Y42-L91 HydrophobicContact CG-CG 4.16Å; L91-S104 WeakPolarHBondContact CA-O 3.17Å; L91-I105 HydrophobicContact CD2-CB 3.87Å; L91-I105 HydrophobicContact CD2-CD1 4.15Å; L91-I105 HydrophobicContact CD2-CG1 4.09Å; L91-I121 HydrophobicContact CD2-CG2 4.15Å; L91-L136 HydrophobicContact CB-CB 4.37Å; L91-L136 HydrophobicContact CB-CD2 3.7Å; L91-L136 HydrophobicContact CD1-CD2 4.09Å; L91-F144 HydrophobicContact CD1-CD1 4.15Å; L91-F144 HydrophobicContact CD1-CE1 3.31Å; L91-F144 HydrophobicContact CD1-CE2 4.5Å; L91-F144 HydrophobicContact CD1-CZ 3.5Å; L91-F144 VanDerWaalsContact CD1-CZ 3.5Å; L91-L148 HydrophobicContact CD1-CD2 3.97Å; L91-L148 HydrophobicContact CD2-CD1 4.29Å; L91-L148 HydrophobicContact CD2-CD2 4.01Å |
| 92 | V | 94 | Very high | 86.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 163 | -177.2 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | V81 Q90 S104 V106 L118 I133 Y134 | V81-V92 HydrophobicContact CG2-CG1 4.44Å; Q90-V92 HydrophobicContact CG-CG1 4.07Å; V92-S104 PolarHBondContact N-O 3.13Å; V92-S104 PolarHBondContact O-N 2.79Å; V92-S104 VanDerWaalsContact O-O 3.11Å; V92-V106 HydrophobicContact CG1-CG2 4.17Å; V92-V106 HydrophobicContact CG2-CG2 4.24Å; V92-L118 HydrophobicContact CG2-CD1 4.47Å; V92-L118 HydrophobicContact CG2-CD2 4.02Å; V92-I133 HydrophobicContact CB-CG2 3.74Å; V92-I133 HydrophobicContact CG1-CG2 3.98Å; V92-I133 HydrophobicContact CG2-CG2 3.88Å; V92-Y134 CarbonylContact C-O 3.55Å; V92-Y134 WeakPolarHBondContact CA-O 3.48Å; V92-Y134 WeakPolarHBondContact CB-O 3.48Å |
| 93 | V | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.1 | 163.6 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | M66 Y70 L101 I133 Y134 L136 | M66-V93 HydrophobicContact SD-CG2 4.08Å; Y70-V93 HydrophobicContact CD2-CG1 4.49Å; Y70-V93 HydrophobicContact CE1-CB 4.27Å; Y70-V93 HydrophobicContact CE1-CG2 4.34Å; Y70-V93 HydrophobicContact CE2-CB 4.35Å; Y70-V93 HydrophobicContact CE2-CG1 4.45Å; Y70-V93 HydrophobicContact CE2-CG2 3.74Å; V93-L101 HydrophobicContact CG1-CB 3.94Å; V93-L101 HydrophobicContact CG1-CD2 3.92Å; V93-L101 HydrophobicContact CG1-CG 4.43Å; V93-I133 CarbonylContact O-C 3.49Å; V93-I133 WeakPolarHBondContact O-CA 3.31Å; V93-Y134 HydrophobicContact CB-CD2 4.27Å; V93-Y134 HydrophobicContact CG1-CD2 4.13Å; V93-Y134 PolarHBondContact N-O 2.64Å; V93-Y134 PolarHBondContact O-N 3.35Å; V93-L136 HydrophobicContact CG2-CD1 3.61Å |
| 94 | A | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L101 V102 L118 V127 P130 E132 | A94-L101 CarbonylContact O-C 3.54Å; A94-L101 WeakPolarHBondContact O-CA 3.09Å; A94-V102 HydrophobicContact CB-CG2 4.24Å; A94-V102 PolarHBondContact N-O 3.36Å; A94-V102 WeakPolarHBondContact O-CG2 3.4Å; A94-V102 PolarHBondContact O-N 2.91Å; A94-L118 HydrophobicContact CB-CD1 3.62Å; A94-V127 HydrophobicContact CB-CG1 4.48Å; A94-P130 HydrophobicContact CB-CB 4.34Å; A94-E132 WeakPolarHBondContact CA-O 3.21Å |
| 95 | K | 92.2 | Very high | 89 | Confident | 50 Ų | 50 | 37 Ų | 37 | 22% | 0.217 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 113.2 | 166.3 | -163.1 | 174.6 | -171 | 179.6 | 0 | 108.1 | L101 M131 E132 Y134 | K95-L101 HydrophobicContact CB-CD2 4.08Å; K95-L101 HydrophobicContact CG-CD2 4.25Å; K95-M131 PolarHBondContact O-N 3.21Å; K95-E132 HydrophobicContact CB-CB 4.2Å; K95-E132 PolarHBondContact N-O 2.99Å; K95-Y134 HydrophobicContact CB-CE2 4.18Å |
| 96 | N | 85.9 | Confident | 89.9 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 16% | 0.155 | 18% | 0.178 | C | C | . | . | trans | -80.9 | 172.7 | 178.1 | 67.2 | 31.5 | 0 | 0 | 0 | 111.7 | N98 F99 K100 V127 | N96-N98 PolarHBondContact O-N 2.84Å; N96-N98 WeakPolarHBondContact OD1-CA 3.18Å; N96-N98 WeakPolarHBondContact OD1-CB 3.35Å; N96-N98 PolarHBondContact OD1-N 3.18Å; N96-F99 WeakPolarHBondContact O-CA 3.36Å; N96-F99 PolarHBondContact O-N 3.13Å; N96-K100 PolarHBondContact N-O 3.24Å; N96-K100 PolarHBondContact ND2-O 3.27Å; N96-K100 PolarHBondContact OD1-N 3.24Å; N96-K100 PolarHBondContact OD1-O 3.04Å; N96-V127 HydrophobicContact CB-CG1 4.15Å | ||
| 97 | A | 82.7 | Confident | 90.3 | Very high | 58 Ų | 58 | 38 Ų | 38 | 48% | 0.479 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -17.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 98 | N | 82.3 | Confident | 90.5 | Very high | 124 Ų | 124 | 44.4 Ų | 44.4 | 66% | 0.663 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 17 | 173.7 | -62.9 | -32.1 | 0 | 0 | 0 | 112.1 | N96 K100 | N96-N98 PolarHBondContact O-N 2.84Å; N96-N98 WeakPolarHBondContact OD1-CA 3.18Å; N96-N98 WeakPolarHBondContact OD1-CB 3.35Å; N96-N98 PolarHBondContact OD1-N 3.18Å; N98-K100 HydrophobicContact CB-CG 4.35Å; N98-K100 PolarHBondContact O-N 2.83Å; N98-K100 VanDerWaalsContact O-N 3.07Å |
| 99 | F | 81.8 | Confident | 90.4 | Very high | 132 Ų | 132 | 40.5 Ų | 40.5 | 58% | 0.579 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 57.1 | 18.9 | -174.7 | -57.6 | -92.5 | 0 | 0 | 0 | 114.1 | N96 M131 | N96-F99 WeakPolarHBondContact O-CA 3.36Å; N96-F99 PolarHBondContact O-N 3.13Å; F99-M131 HydrophobicContact CD1-CE 4.49Å; F99-M131 HydrophobicContact CD1-SD 4.25Å; F99-M131 HydrophobicContact CE1-CE 3.72Å; F99-M131 HydrophobicContact CE1-SD 3.92Å; F99-M131 HydrophobicContact CZ-CE 4.09Å; F99-M131 HydrophobicContact CZ-SD 4.18Å |
| 100 | K | 86.9 | Confident | 90.1 | Very high | 135 Ų | 135 | 41.6 Ų | 41.6 | 59% | 0.587 | 21% | 0.212 | S | C | * | . | trans | -93.2 | 130 | 178.3 | -59.9 | -171.1 | 179.3 | -175 | 0 | 110.2 | N96 N98 | N96-K100 PolarHBondContact N-O 3.24Å; N96-K100 PolarHBondContact ND2-O 3.27Å; N96-K100 PolarHBondContact OD1-N 3.24Å; N96-K100 PolarHBondContact OD1-O 3.04Å; N98-K100 HydrophobicContact CB-CG 4.35Å; N98-K100 PolarHBondContact O-N 2.83Å; N98-K100 VanDerWaalsContact O-N 3.07Å | ||
| 101 | L | 91.5 | Very high | 89.6 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.9 | 171.1 | -61.1 | 171.2 | 0 | 0 | 0 | 109.7 | M66 F67 Y70 V93 A94 K95 Y134 | M66-L101 HydrophobicContact CE-CB 4.31Å; F67-L101 HydrophobicContact CD1-CB 3.79Å; F67-L101 HydrophobicContact CD1-CD1 4.03Å; F67-L101 HydrophobicContact CD1-CG 4.46Å; F67-L101 HydrophobicContact CE1-CB 3.85Å; F67-L101 WeakPolarHBondContact CE1-O 3.46Å; Y70-L101 VanDerWaalsContact CB-CD1 3.49Å; Y70-L101 HydrophobicContact CG-CD1 4.28Å; V93-L101 HydrophobicContact CG1-CB 3.94Å; V93-L101 HydrophobicContact CG1-CD2 3.92Å; V93-L101 HydrophobicContact CG1-CG 4.43Å; A94-L101 CarbonylContact O-C 3.54Å; A94-L101 WeakPolarHBondContact O-CA 3.09Å; K95-L101 HydrophobicContact CB-CD2 4.08Å; K95-L101 HydrophobicContact CG-CD2 4.25Å; L101-Y134 HydrophobicContact CD2-CD2 4.16Å; L101-Y134 HydrophobicContact CD2-CE2 3.6Å |
| 102 | V | 91.8 | Very high | 88.8 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.8 | 177.7 | -68.9 | 0 | 0 | 0 | 0 | 110.2 | A94 S104 T120 V127 | A94-V102 HydrophobicContact CB-CG2 4.24Å; A94-V102 PolarHBondContact N-O 3.36Å; A94-V102 WeakPolarHBondContact O-CG2 3.4Å; A94-V102 PolarHBondContact O-N 2.91Å; V102-S104 PolarHBondContact O-N 2.76Å; V102-S104 PolarHBondContact O-OG 2.81Å; V102-T120 HydrophobicContact CB-CG2 4.02Å; V102-T120 HydrophobicContact CG1-CG2 4.46Å; V102-T120 HydrophobicContact CG2-CG2 3.95Å; V102-V127 HydrophobicContact CG2-CG2 3.92Å |
| 103 | R | 93 | Very high | 88.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 129.7 | 170.4 | -58 | -172.7 | -58.3 | 161.8 | 5.5 | 108.6 | M66 T120 I121 D122 L136 F140 C143 | M66-R103 HydrophobicContact CE-CG 4.09Å; M66-R103 HydrophobicContact SD-CG 3.42Å; M66-R103 WeakPolarHBondContact SD-CG 3.36Å; R103-T120 CarbonylContact O-C 3.57Å; R103-T120 VanDerWaalsContact O-CA 3.32Å; R103-T120 WeakPolarHBondContact O-CA 3.38Å; R103-I121 HydrophobicContact CB-CD1 3.64Å; R103-I121 HydrophobicContact CB-CG1 3.53Å; R103-I121 PolarHBondContact O-N 3.03Å; R103-D122 IonicContact CZ-OD1 3.28Å; R103-D122 IonicContact NE-OD1 3.54Å; R103-D122 PolarHBondContact NE-OD1 2.85Å; R103-D122 IonicContact NE-OD2 3.54Å; R103-D122 PolarHBondContact NE-OD2 3.1Å; R103-D122 IonicContact NH2-OD1 3.27Å; R103-D122 PolarHBondContact NH2-OD1 3.45Å; R103-L136 HydrophobicContact CG-CD1 4.26Å; R103-F140 PolarHBondContact NH1-O 2.79Å; R103-C143 PolarHBondContact NH1-O 3.48Å; R103-C143 PolarHBondContact NH2-O 3.42Å |
| 104 | S | 94 | Very high | 87.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 158.7 | -170 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | L91 V92 V102 L119 | L91-S104 WeakPolarHBondContact CA-O 3.17Å; V92-S104 PolarHBondContact N-O 3.13Å; V92-S104 PolarHBondContact O-N 2.79Å; V92-S104 VanDerWaalsContact O-O 3.11Å; V102-S104 PolarHBondContact O-N 2.76Å; V102-S104 PolarHBondContact O-OG 2.81Å; S104-L119 CarbonylContact C-O 3.53Å; S104-L119 WeakPolarHBondContact CA-O 3.39Å |
| 105 | I | 94.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.3 | 170.3 | -174.5 | 163.9 | 0 | 0 | 0 | 110.2 | Q90 L91 V107 L118 L119 I121 L148 | Q90-I105 WeakPolarHBondContact O-CA 3.47Å; L91-I105 HydrophobicContact CD2-CB 3.87Å; L91-I105 HydrophobicContact CD2-CD1 4.15Å; L91-I105 HydrophobicContact CD2-CG1 4.09Å; I105-V107 HydrophobicContact CG2-CG2 4.28Å; I105-V107 PolarHBondContact O-N 2.76Å; I105-L118 WeakPolarHBondContact O-CA 3.49Å; I105-L119 HydrophobicContact CG2-CB 3.93Å; I105-L119 HydrophobicContact CG2-CD2 4.5Å; I105-L119 PolarHBondContact N-O 2.82Å; I105-L119 PolarHBondContact O-N 3.16Å; I105-I121 HydrophobicContact CB-CG2 4.15Å; I105-I121 HydrophobicContact CG2-CG2 4.24Å; I105-L148 HydrophobicContact CD1-CD1 3.82Å |
| 106 | V | 93.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 110.8 | 174.1 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | F87 G89 Q90 V92 L109 L116 L118 | F87-V106 WeakPolarHBondContact O-CB 3.42Å; F87-V106 WeakPolarHBondContact O-CG1 3.41Å; G89-V106 PolarHBondContact N-O 3.49Å; Q90-V106 HydrophobicContact CB-CB 4.43Å; Q90-V106 HydrophobicContact CB-CG2 4.19Å; Q90-V106 PolarHBondContact O-N 3.25Å; V92-V106 HydrophobicContact CG1-CG2 4.17Å; V92-V106 HydrophobicContact CG2-CG2 4.24Å; V106-L109 HydrophobicContact CG1-CD2 4.13Å; V106-L116 HydrophobicContact CG1-CD1 4.03Å; V106-L118 HydrophobicContact CB-CD2 4.27Å; V106-L118 HydrophobicContact CG2-CD2 3.72Å |
| 107 | V | 91.6 | Very high | 86.6 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 24% | 0.242 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -40.3 | 179.3 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | I105 S117 L119 W126 | I105-V107 HydrophobicContact CG2-CG2 4.28Å; I105-V107 PolarHBondContact O-N 2.76Å; V107-S117 PolarHBondContact N-O 2.89Å; V107-L119 HydrophobicContact CG2-CB 3.77Å; V107-W126 HydrophobicContact CB-CH2 4.1Å; V107-W126 HydrophobicContact CB-CZ3 4.04Å; V107-W126 HydrophobicContact CG1-CH2 3.95Å; V107-W126 HydrophobicContact CG1-CZ3 4.4Å; V107-W126 HydrophobicContact CG2-CH2 4.09Å; V107-W126 HydrophobicContact CG2-CZ3 3.97Å |
| 108 | K | 89.6 | Confident | 87.1 | Confident | 140 Ų | 140 | 62 Ų | 62 | 61% | 0.609 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.9 | 171.1 | -57.8 | -174.4 | 176.9 | -179.3 | 0 | 109.1 | L116 S117 | K108-L116 WeakPolarHBondContact O-CD1 3.46Å; K108-S117 PolarHBondContact N-O 2.87Å; K108-S117 PolarHBondContact O-N 3.5Å |
| 109 | L | 88.9 | Confident | 87.6 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | trans | -65.1 | 158.5 | 176.1 | -66.7 | 179.8 | 0 | 0 | 0 | 111.8 | M86 V106 D111 | M86-L109 HydrophobicContact CB-CD2 4.05Å; M86-L109 VanDerWaalsContact O-CD2 3.31Å; M86-L109 WeakPolarHBondContact O-CD2 3.37Å; V106-L109 HydrophobicContact CG1-CD2 4.13Å; L109-D111 PolarHBondContact O-N 3.44Å | ||
| 110 | P | 84.3 | Confident | 88 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | trans | -57.7 | 130.3 | 172.7 | -18.7 | 31.1 | 0 | 0 | 0 | 110.3 | K83 M86 D115 L116 | K83-P110 HydrophobicContact CB-CB 4.35Å; K83-P110 HydrophobicContact CB-CG 3.99Å; K83-P110 HydrophobicContact CD-CB 3.9Å; K83-P110 HydrophobicContact CD-CG 4.32Å; K83-P110 HydrophobicContact CG-CB 4Å; K83-P110 HydrophobicContact CG-CG 3.84Å; M86-P110 HydrophobicContact SD-CG 3.72Å; P110-D115 WeakPolarHBondContact CA-O 3.46Å; P110-L116 HydrophobicContact CG-CB 4.35Å; P110-L116 HydrophobicContact CG-CD1 3.79Å | ||
| 111 | D | 82.6 | Confident | 88.1 | Confident | 75 Ų | 75 | 44.2 Ų | 44.2 | 40% | 0.401 | 24% | 0.244 | S | C | . | . | trans | -78.9 | -176.1 | 168.9 | 72.2 | 8.6 | 0 | 0 | 0 | 111.7 | L109 K113 G114 D115 | L109-D111 PolarHBondContact O-N 3.44Å; D111-K113 PolarHBondContact O-N 3.05Å; D111-K113 WeakPolarHBondContact OD1-CA 3.15Å; D111-K113 WeakPolarHBondContact OD1-CB 3.36Å; D111-K113 PolarHBondContact OD1-N 3.41Å; D111-G114 WeakPolarHBondContact O-CA 3.46Å; D111-G114 PolarHBondContact O-N 3.41Å; D111-G114 PolarHBondContact OD1-N 3.38Å; D111-D115 PolarHBondContact N-O 3.24Å; D111-D115 PolarHBondContact OD1-N 2.97Å | ||
| 112 | S | 77 | Confident | 87.9 | Confident | 127 Ų | 127 | 44.1 Ų | 44.1 | 89% | 0.888 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.8 | 178.2 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | G114 | S112-G114 VanDerWaalsContact C-N 3.33Š|
| 113 | K | 77.8 | Confident | 87.5 | Confident | 170 Ų | 170 | 51.5 Ų | 51.5 | 74% | 0.739 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -7.4 | 172.6 | -60.7 | -179.2 | 179.2 | 179 | 0 | 112.2 | D111 | D111-K113 PolarHBondContact O-N 3.05Å; D111-K113 WeakPolarHBondContact OD1-CA 3.15Å; D111-K113 WeakPolarHBondContact OD1-CB 3.36Å; D111-K113 PolarHBondContact OD1-N 3.41Å |
| 114 | G | 74.3 | Confident | 87 | Confident | 25 Ų | 25 | 55 Ų | 55 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | trans | 84.6 | 9.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K83 D111 S112 L116 | K83-G114 VanDerWaalsContact NZ-CA 3.26Å; D111-G114 WeakPolarHBondContact O-CA 3.46Å; D111-G114 PolarHBondContact O-N 3.41Å; D111-G114 PolarHBondContact OD1-N 3.38Å; S112-G114 VanDerWaalsContact C-N 3.33Å; G114-L116 PolarHBondContact O-N 3.3Å | ||
| 115 | D | 81.3 | Confident | 86.7 | Confident | 109 Ų | 109 | 61.6 Ų | 61.6 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | trans | -71.2 | 116 | 178.2 | -74.3 | -37 | 0 | 0 | 0 | 109.8 | P110 D111 | P110-D115 WeakPolarHBondContact CA-O 3.46Å; D111-D115 PolarHBondContact N-O 3.24Å; D111-D115 PolarHBondContact OD1-N 2.97Å | ||
| 116 | L | 88.5 | Confident | 86.5 | Confident | 22 Ų | 22 | 68.7 Ų | 68.7 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | trans | -114 | 141.8 | -178.6 | 173.5 | 82 | 0 | 0 | 0 | 109.7 | M86 V106 K108 P110 G114 L118 P130 I133 | M86-L116 HydrophobicContact SD-CD1 3.93Å; M86-L116 HydrophobicContact SD-CD2 4.09Å; V106-L116 HydrophobicContact CG1-CD1 4.03Å; K108-L116 WeakPolarHBondContact O-CD1 3.46Å; P110-L116 HydrophobicContact CG-CB 4.35Å; P110-L116 HydrophobicContact CG-CD1 3.79Å; G114-L116 PolarHBondContact O-N 3.3Å; L116-L118 HydrophobicContact CD1-CD2 4.42Å; L116-L118 HydrophobicContact CD2-CD1 3.72Å; L116-L118 HydrophobicContact CD2-CD2 3.6Å; L116-L118 HydrophobicContact CD2-CG 3.48Å; L116-L118 VanDerWaalsContact CD2-CG 3.48Å; L116-L118 HydrophobicContact CG-CD2 3.98Å; L116-L118 HydrophobicContact CG-CG 3.91Å; L116-P130 HydrophobicContact CD2-CG 4.42Å; L116-I133 HydrophobicContact CD2-CD1 3.1Å; L116-I133 HydrophobicContact CD2-CG1 4.32Å | ||
| 117 | S | 90.7 | Very high | 86.3 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 110.5 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | V107 K108 | V107-S117 PolarHBondContact N-O 2.89Å; K108-S117 PolarHBondContact N-O 2.87Å; K108-S117 PolarHBondContact O-N 3.5Å |
| 118 | L | 93.6 | Very high | 86 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.6 | 177.3 | -65.6 | -176.9 | 0 | 0 | 0 | 111.6 | V92 A94 I105 V106 L116 W126 V127 P130 I133 | V92-L118 HydrophobicContact CG2-CD1 4.47Å; V92-L118 HydrophobicContact CG2-CD2 4.02Å; A94-L118 HydrophobicContact CB-CD1 3.62Å; I105-L118 WeakPolarHBondContact O-CA 3.49Å; V106-L118 HydrophobicContact CB-CD2 4.27Å; V106-L118 HydrophobicContact CG2-CD2 3.72Å; L116-L118 HydrophobicContact CD1-CD2 4.42Å; L116-L118 HydrophobicContact CD2-CD1 3.72Å; L116-L118 HydrophobicContact CD2-CD2 3.6Å; L116-L118 HydrophobicContact CD2-CG 3.48Å; L116-L118 VanDerWaalsContact CD2-CG 3.48Å; L116-L118 HydrophobicContact CG-CD2 3.98Å; L116-L118 HydrophobicContact CG-CG 3.91Å; L118-W126 VanDerWaalsContact O-CE3 3.31Å; L118-V127 HydrophobicContact CB-CB 3.95Å; L118-V127 HydrophobicContact CB-CG2 4.05Å; L118-V127 PolarHBondContact O-N 3.46Å; L118-P130 HydrophobicContact CD1-CB 3.99Å; L118-P130 HydrophobicContact CD1-CG 4.08Å; L118-I133 HydrophobicContact CD1-CD1 4.3Å; L118-I133 HydrophobicContact CD1-CG1 4.28Å |
| 119 | L | 91.5 | Very high | 85.6 | Confident | 7 Ų | 7 | 81.5 Ų | 81.5 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.1 | 173.7 | -175.9 | 72.8 | 0 | 0 | 0 | 109.3 | A44 S104 I105 V107 I121 Y124 W126 | A44-L119 HydrophobicContact CB-CD2 4.19Å; S104-L119 CarbonylContact C-O 3.53Å; S104-L119 WeakPolarHBondContact CA-O 3.39Å; I105-L119 HydrophobicContact CG2-CB 3.93Å; I105-L119 HydrophobicContact CG2-CD2 4.5Å; I105-L119 PolarHBondContact N-O 2.82Å; I105-L119 PolarHBondContact O-N 3.16Å; V107-L119 HydrophobicContact CG2-CB 3.77Å; L119-I121 PolarHBondContact O-N 3.06Å; L119-Y124 HydrophobicContact CD2-CD2 3.91Å; L119-Y124 HydrophobicContact CD2-CE2 3.57Å; L119-W126 HydrophobicContact CB-CE3 4.45Å; L119-W126 HydrophobicContact CB-CZ3 4.39Å; L119-W126 HydrophobicContact CD1-CD2 4.14Å; L119-W126 HydrophobicContact CD1-CE3 4.47Å; L119-W126 HydrophobicContact CD1-CG 4.41Å |
| 120 | T | 91 | Very high | 85.5 | Confident | 11 Ų | 11 | 79 Ų | 79 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132.8 | 178.2 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | V102 R103 Y124 K125 V127 | V102-T120 HydrophobicContact CB-CG2 4.02Å; V102-T120 HydrophobicContact CG1-CG2 4.46Å; V102-T120 HydrophobicContact CG2-CG2 3.95Å; R103-T120 CarbonylContact O-C 3.57Å; R103-T120 VanDerWaalsContact O-CA 3.32Å; R103-T120 WeakPolarHBondContact O-CA 3.38Å; T120-Y124 VanDerWaalsContact O-CA 3.32Å; T120-Y124 WeakPolarHBondContact O-CA 3.37Å; T120-Y124 PolarHBondContact O-N 3.33Å; T120-Y124 PolarHBondContact OG1-N 3.01Å; T120-K125 WeakPolarHBondContact CG2-O 3.39Å; T120-K125 PolarHBondContact N-O 3.23Å; T120-K125 PolarHBondContact OG1-N 3.3Å; T120-K125 PolarHBondContact OG1-O 2.85Å; T120-V127 HydrophobicContact CG2-CG2 3.48Å; T120-V127 VanDerWaalsContact CG2-CG2 3.48Å |
| 121 | I | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -26.1 | 177.8 | 70.7 | 176.1 | 0 | 0 | 0 | 113.4 | L91 R103 I105 L119 F144 P145 W147 L148 | L91-I121 HydrophobicContact CD2-CG2 4.15Å; R103-I121 HydrophobicContact CB-CD1 3.64Å; R103-I121 HydrophobicContact CB-CG1 3.53Å; R103-I121 PolarHBondContact O-N 3.03Å; I105-I121 HydrophobicContact CB-CG2 4.15Å; I105-I121 HydrophobicContact CG2-CG2 4.24Å; L119-I121 PolarHBondContact O-N 3.06Å; I121-F144 HydrophobicContact CD1-CD1 4.15Å; I121-F144 HydrophobicContact CD1-CE1 4.47Å; I121-P145 HydrophobicContact CB-CG 4.26Å; I121-P145 WeakPolarHBondContact O-CG 3.42Å; I121-W147 HydrophobicContact CB-CH2 4.08Å; I121-W147 HydrophobicContact CG2-CH2 4.29Å; I121-W147 WeakPolarHBondContact O-CZ2 3.46Å; I121-L148 HydrophobicContact CG2-CD1 4.41Å |
| 122 | D | 87.2 | Confident | 85.8 | Confident | 20 Ų | 20 | 82.3 Ų | 82.3 | 11% | 0.107 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -18.3 | -176.8 | -61.7 | -38.5 | 0 | 0 | 0 | 114 | P58 R103 | P58-D122 HydrophobicContact CG-CB 4.28Å; R103-D122 IonicContact CZ-OD1 3.28Å; R103-D122 IonicContact NE-OD1 3.54Å; R103-D122 PolarHBondContact NE-OD1 2.85Å; R103-D122 IonicContact NE-OD2 3.54Å; R103-D122 PolarHBondContact NE-OD2 3.1Å; R103-D122 IonicContact NH2-OD1 3.27Å; R103-D122 PolarHBondContact NH2-OD1 3.45Å |
| 123 | R | 82.7 | Confident | 86.4 | Confident | 178 Ų | 178 | 77.2 Ų | 77.2 | 67% | 0.672 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.9 | -5.5 | -170.3 | -62 | -176.6 | -179.4 | -176.8 | -1.2 | 114.4 | K125 | R123-K125 VanDerWaalsContact C-N 3.29Å; R123-K125 HydrophobicContact CB-CG 4.26Å; R123-K125 PolarHBondContact O-N 2.76Å |
| 124 | Y | 84.1 | Confident | 87.1 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | trans | 51.9 | 45.1 | -176.1 | -155.3 | -99.1 | 0 | 0 | 0 | 113.3 | P46 L54 L119 T120 W147 | P46-Y124 VanDerWaalsContact CG-OH 3.26Å; P46-Y124 WeakPolarHBondContact CG-OH 3.22Å; L54-Y124 HydrophobicContact CD2-CD1 4.05Å; L54-Y124 HydrophobicContact CD2-CD2 3.89Å; L54-Y124 HydrophobicContact CD2-CE2 4.41Å; L54-Y124 HydrophobicContact CD2-CG 3.7Å; L119-Y124 HydrophobicContact CD2-CD2 3.91Å; L119-Y124 HydrophobicContact CD2-CE2 3.57Å; T120-Y124 VanDerWaalsContact O-CA 3.32Å; T120-Y124 WeakPolarHBondContact O-CA 3.37Å; T120-Y124 PolarHBondContact O-N 3.33Å; T120-Y124 PolarHBondContact OG1-N 3.01Å; Y124-W147 HydrophobicContact CD2-CD2 4.24Å; Y124-W147 AromaticContact CD2-CE2 3.92Å; Y124-W147 HydrophobicContact CD2-CE3 4.27Å; Y124-W147 AromaticContact CD2-CH2 3.57Å; Y124-W147 HydrophobicContact CD2-CH2 3.57Å; Y124-W147 AromaticContact CD2-CZ2 3.58Å; Y124-W147 HydrophobicContact CD2-CZ2 3.58Å; Y124-W147 AromaticContact CD2-CZ3 3.98Å; Y124-W147 HydrophobicContact CD2-CZ3 3.98Å; Y124-W147 HydrophobicContact CE2-CE3 4.28Å; Y124-W147 HydrophobicContact CE2-CH2 4.18Å; Y124-W147 HydrophobicContact CE2-CZ2 4.47Å; Y124-W147 HydrophobicContact CE2-CZ3 4.13Å; Y124-W147 HydrophobicContact CG-CZ2 4.4Å | ||
| 125 | K | 87.6 | Confident | 87.7 | Confident | 137 Ų | 137 | 68.1 Ų | 68.1 | 60% | 0.596 | 30% | 0.296 | S | S | * | . | trans | -119.4 | 144.3 | 177.7 | -66.1 | -170.6 | -179.5 | -170.4 | 0 | 110.5 | T120 R123 V127 | T120-K125 WeakPolarHBondContact CG2-O 3.39Å; T120-K125 PolarHBondContact N-O 3.23Å; T120-K125 PolarHBondContact OG1-N 3.3Å; T120-K125 PolarHBondContact OG1-O 2.85Å; R123-K125 VanDerWaalsContact C-N 3.29Å; R123-K125 HydrophobicContact CB-CG 4.26Å; R123-K125 PolarHBondContact O-N 2.76Å; K125-V127 PolarHBondContact O-N 2.96Å | ||
| 126 | W | 89.7 | Confident | 88.2 | Confident | 153 Ų | 153 | 62.9 Ų | 62.9 | 58% | 0.58 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.2 | 171.9 | -68.4 | 102.8 | 0 | 0 | 0 | 110.9 | V107 L118 L119 R128 | V107-W126 HydrophobicContact CB-CH2 4.1Å; V107-W126 HydrophobicContact CB-CZ3 4.04Å; V107-W126 HydrophobicContact CG1-CH2 3.95Å; V107-W126 HydrophobicContact CG1-CZ3 4.4Å; V107-W126 HydrophobicContact CG2-CH2 4.09Å; V107-W126 HydrophobicContact CG2-CZ3 3.97Å; L118-W126 VanDerWaalsContact O-CE3 3.31Å; L119-W126 HydrophobicContact CB-CE3 4.45Å; L119-W126 HydrophobicContact CB-CZ3 4.39Å; L119-W126 HydrophobicContact CD1-CD2 4.14Å; L119-W126 HydrophobicContact CD1-CE3 4.47Å; L119-W126 HydrophobicContact CD1-CG 4.41Å; W126-R128 PolarHBondContact O-N 3.48Å |
| 127 | V | 89.7 | Confident | 88.1 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 110.3 | 170.8 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | A94 N96 V102 L118 T120 K125 P130 | A94-V127 HydrophobicContact CB-CG1 4.48Å; N96-V127 HydrophobicContact CB-CG1 4.15Å; V102-V127 HydrophobicContact CG2-CG2 3.92Å; L118-V127 HydrophobicContact CB-CB 3.95Å; L118-V127 HydrophobicContact CB-CG2 4.05Å; L118-V127 PolarHBondContact O-N 3.46Å; T120-V127 HydrophobicContact CG2-CG2 3.48Å; T120-V127 VanDerWaalsContact CG2-CG2 3.48Å; K125-V127 PolarHBondContact O-N 2.96Å; V127-P130 HydrophobicContact CG1-CB 4.24Å |
| 128 | R | 83.7 | Confident | 87.8 | Confident | 217 Ų | 217 | 66.1 Ų | 66.1 | 82% | 0.819 | 27% | 0.273 | S | S | * | . | trans | -83.8 | 125.7 | 174.3 | -63.5 | -176.6 | 179.2 | 177.3 | -1.3 | 108.8 | W126 | W126-R128 PolarHBondContact O-N 3.48Š| ||
| 129 | R | 81.3 | Confident | 87.2 | Confident | 219 Ų | 219 | 69.9 Ų | 69.9 | 83% | 0.826 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 51.5 | 69.7 | 175.9 | -60 | -179.4 | -177.6 | 168.7 | -1.5 | 112.7 | M131 | R129-M131 PolarHBondContact O-N 3.07Š|
| 130 | P | 86.8 | Confident | 87 | Confident | 34 Ų | 34 | 69.7 Ų | 69.7 | 22% | 0.221 | 29% | 0.292 | C | S | . | . | trans | -59.3 | 131.2 | 170 | 27.8 | -33 | 0 | 0 | 0 | 109.4 | A94 L116 L118 V127 I133 | A94-P130 HydrophobicContact CB-CB 4.34Å; L116-P130 HydrophobicContact CD2-CG 4.42Å; L118-P130 HydrophobicContact CD1-CB 3.99Å; L118-P130 HydrophobicContact CD1-CG 4.08Å; V127-P130 HydrophobicContact CG1-CB 4.24Å; P130-I133 HydrophobicContact CB-CD1 4.43Å; P130-I133 HydrophobicContact CB-CG1 4.19Å; P130-I133 HydrophobicContact CG-CD1 4.38Å | ||
| 131 | M | 85.8 | Confident | 86.7 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 48% | 0.478 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -80.6 | -48.2 | 177.2 | -67 | -177.7 | 66.4 | 0 | 0 | 110.7 | K95 F99 R129 | K95-M131 PolarHBondContact O-N 3.21Å; F99-M131 HydrophobicContact CD1-CE 4.49Å; F99-M131 HydrophobicContact CD1-SD 4.25Å; F99-M131 HydrophobicContact CE1-CE 3.72Å; F99-M131 HydrophobicContact CE1-SD 3.92Å; F99-M131 HydrophobicContact CZ-CE 4.09Å; F99-M131 HydrophobicContact CZ-SD 4.18Å; R129-M131 PolarHBondContact O-N 3.07Å |
| 132 | E | 88.2 | Confident | 86.1 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 148.9 | -178.6 | -71.1 | 172.1 | -131.9 | 0 | 0 | 108.7 | A94 K95 Y134 | A94-E132 WeakPolarHBondContact CA-O 3.21Å; K95-E132 HydrophobicContact CB-CB 4.2Å; K95-E132 PolarHBondContact N-O 2.99Å; E132-Y134 HydrophobicContact CB-CE1 4Å; E132-Y134 HydrophobicContact CB-CE2 4.22Å; E132-Y134 WeakPolarHBondContact CB-OH 3.34Å; E132-Y134 WeakPolarHBondContact OE2-CE1 3.14Å; E132-Y134 VanDerWaalsContact OE2-CZ 3.29Å; E132-Y134 PolarHBondContact OE2-OH 3.19Å |
| 133 | I | 90.5 | Very high | 85.6 | Confident | 20 Ų | 20 | 76 Ų | 76 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131.9 | -178.4 | -58.9 | 162.5 | 0 | 0 | 0 | 106.8 | T80 V81 M86 V92 V93 L116 L118 P130 | T80-I133 CarbonylContact C-O 3.56Å; T80-I133 WeakPolarHBondContact CA-O 3.03Å; V81-I133 HydrophobicContact CB-CB 4.5Å; V81-I133 HydrophobicContact CB-CG2 4.06Å; V81-I133 HydrophobicContact CG2-CG2 4.08Å; V81-I133 PolarHBondContact N-O 2.85Å; M86-I133 HydrophobicContact CE-CB 4.03Å; M86-I133 HydrophobicContact CE-CD1 3.54Å; M86-I133 HydrophobicContact CE-CG1 4.41Å; M86-I133 HydrophobicContact CE-CG2 4Å; M86-I133 HydrophobicContact SD-CD1 4.25Å; V92-I133 HydrophobicContact CB-CG2 3.74Å; V92-I133 HydrophobicContact CG1-CG2 3.98Å; V92-I133 HydrophobicContact CG2-CG2 3.88Å; V93-I133 CarbonylContact O-C 3.49Å; V93-I133 WeakPolarHBondContact O-CA 3.31Å; L116-I133 HydrophobicContact CD2-CD1 3.1Å; L116-I133 HydrophobicContact CD2-CG1 4.32Å; L118-I133 HydrophobicContact CD1-CD1 4.3Å; L118-I133 HydrophobicContact CD1-CG1 4.28Å; P130-I133 HydrophobicContact CB-CD1 4.43Å; P130-I133 HydrophobicContact CB-CG1 4.19Å; P130-I133 HydrophobicContact CG-CD1 4.38Å |
| 134 | Y | 90.9 | Very high | 85.6 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.3 | -177.7 | -42.7 | -75.3 | 0 | 0 | 0 | 110.4 | Y70 S76 L79 V92 V93 K95 L101 E132 L136 | Y70-Y134 AromaticContact CD1-CD2 3.95Å; Y70-Y134 HydrophobicContact CD1-CD2 3.95Å; Y70-Y134 AromaticContact CD1-CG 3.93Å; Y70-Y134 HydrophobicContact CD1-CG 3.93Å; Y70-Y134 VanDerWaalsContact CE1-CB 3.48Å; Y70-Y134 HydrophobicContact CE1-CD2 4.29Å; Y70-Y134 HydrophobicContact CE1-CG 4.04Å; S76-Y134 WeakPolarHBondContact O-CD1 3.33Å; L79-Y134 HydrophobicContact CB-CD1 4.49Å; L79-Y134 CarbonylContact O-C 3.47Å; L79-Y134 WeakPolarHBondContact O-CA 3.26Å; V92-Y134 CarbonylContact C-O 3.55Å; V92-Y134 WeakPolarHBondContact CA-O 3.48Å; V92-Y134 WeakPolarHBondContact CB-O 3.48Å; V93-Y134 HydrophobicContact CB-CD2 4.27Å; V93-Y134 HydrophobicContact CG1-CD2 4.13Å; V93-Y134 PolarHBondContact N-O 2.64Å; V93-Y134 PolarHBondContact O-N 3.35Å; K95-Y134 HydrophobicContact CB-CE2 4.18Å; L101-Y134 HydrophobicContact CD2-CD2 4.16Å; L101-Y134 HydrophobicContact CD2-CE2 3.6Å; E132-Y134 HydrophobicContact CB-CE1 4Å; E132-Y134 HydrophobicContact CB-CE2 4.22Å; E132-Y134 WeakPolarHBondContact CB-OH 3.34Å; E132-Y134 WeakPolarHBondContact OE2-CE1 3.14Å; E132-Y134 VanDerWaalsContact OE2-CZ 3.29Å; E132-Y134 PolarHBondContact OE2-OH 3.19Å; Y134-L136 PolarHBondContact O-N 2.87Å |
| 135 | F | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 139.2 | 170.3 | -76 | -74 | 0 | 0 | 0 | 108.5 | M34 V37 L39 Y70 L79 V81 L85 Q90 Y137 W159 | M34-F135 HydrophobicContact CE-CD2 3.58Å; M34-F135 HydrophobicContact CE-CE2 3.46Å; M34-F135 VanDerWaalsContact CE-CE2 3.46Å; M34-F135 HydrophobicContact CE-CG 4.2Å; M34-F135 HydrophobicContact CE-CZ 3.96Å; M34-F135 HydrophobicContact SD-CD2 4.37Å; V37-F135 HydrophobicContact CB-CB 3.88Å; V37-F135 HydrophobicContact CB-CD1 4.46Å; V37-F135 HydrophobicContact CB-CG 4.37Å; V37-F135 HydrophobicContact CG1-CB 3.64Å; V37-F135 HydrophobicContact CG1-CG 4.27Å; V37-F135 HydrophobicContact CG2-CB 4.33Å; V37-F135 HydrophobicContact CG2-CD1 4.07Å; V37-F135 HydrophobicContact CG2-CG 4.27Å; L39-F135 HydrophobicContact CD2-CD1 3.98Å; L39-F135 HydrophobicContact CD2-CE1 3.79Å; Y70-F135 PolarHBondContact OH-O 2.81Å; L79-F135 HydrophobicContact CD2-CB 3.96Å; L79-F135 VanDerWaalsContact O-CD2 3.22Å; L79-F135 WeakPolarHBondContact O-CD2 2.97Å; L79-F135 PolarHBondContact O-N 3.39Å; V81-F135 HydrophobicContact CB-CE2 4.36Å; V81-F135 HydrophobicContact CB-CZ 4.49Å; V81-F135 HydrophobicContact CG1-CE1 4.25Å; V81-F135 HydrophobicContact CG1-CE2 4.39Å; V81-F135 HydrophobicContact CG1-CZ 4.04Å; V81-F135 HydrophobicContact CG2-CB 4.25Å; V81-F135 HydrophobicContact CG2-CD1 3.93Å; V81-F135 HydrophobicContact CG2-CD2 3.69Å; V81-F135 HydrophobicContact CG2-CE1 4.17Å; V81-F135 HydrophobicContact CG2-CE2 3.91Å; V81-F135 HydrophobicContact CG2-CG 3.68Å; V81-F135 HydrophobicContact CG2-CZ 4.15Å; L85-F135 HydrophobicContact CB-CZ 3.85Å; L85-F135 HydrophobicContact CD1-CE2 4.13Å; L85-F135 HydrophobicContact CD1-CZ 3.76Å; L85-F135 HydrophobicContact CG-CZ 4.44Å; Q90-F135 VanDerWaalsContact NE2-CE1 3.32Å; F135-Y137 PolarHBondContact O-N 3.05Å; F135-W159 HydrophobicContact CZ-CH2 4.18Å |
| 136 | L | 90.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -76 | 119 | 173.7 | 179.7 | 65 | 0 | 0 | 0 | 109.1 | V37 E38 Y70 L91 V93 R103 Y134 F140 A141 F144 | V37-L136 CarbonylContact C-O 3.49Å; V37-L136 WeakPolarHBondContact CA-O 3.41Å; E38-L136 HydrophobicContact CB-CB 4.39Å; E38-L136 HydrophobicContact CB-CD2 4.45Å; E38-L136 PolarHBondContact N-O 3.09Å; Y70-L136 WeakPolarHBondContact OH-CA 3.46Å; L91-L136 HydrophobicContact CB-CB 4.37Å; L91-L136 HydrophobicContact CB-CD2 3.7Å; L91-L136 HydrophobicContact CD1-CD2 4.09Å; V93-L136 HydrophobicContact CG2-CD1 3.61Å; R103-L136 HydrophobicContact CG-CD1 4.26Å; Y134-L136 PolarHBondContact O-N 2.87Å; L136-F140 HydrophobicContact CD1-CB 3.87Å; L136-A141 HydrophobicContact CD2-CB 3.67Å; L136-A141 HydrophobicContact CG-CB 4.12Å; L136-F144 HydrophobicContact CD2-CE1 4.46Å |
| 137 | Y | 86.7 | Confident | 84.8 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 134.5 | 171.3 | -170.6 | -115 | 0 | 0 | 0 | 110 | F32 D36 F69 Y70 F135 D139 F140 A141 | F32-Y137 AromaticContact CD2-CD2 3.87Å; F32-Y137 HydrophobicContact CD2-CD2 3.87Å; F32-Y137 AromaticContact CD2-CE2 3.9Å; F32-Y137 HydrophobicContact CD2-CE2 3.9Å; F32-Y137 AromaticContact CE2-CD2 3.94Å; F32-Y137 HydrophobicContact CE2-CD2 3.94Å; F32-Y137 HydrophobicContact CE2-CE2 4.31Å; D36-Y137 HydrophobicContact CB-CD2 3.94Å; D36-Y137 HydrophobicContact CB-CE2 3.32Å; F69-Y137 HydrophobicContact CE1-CD1 4.46Å; F69-Y137 HydrophobicContact CE1-CD2 4.39Å; F69-Y137 HydrophobicContact CE1-CG 4.03Å; F69-Y137 HydrophobicContact CZ-CD1 4.19Å; F69-Y137 AromaticContact CZ-CD2 3.99Å; F69-Y137 HydrophobicContact CZ-CD2 3.99Å; F69-Y137 HydrophobicContact CZ-CE2 4.33Å; F69-Y137 AromaticContact CZ-CG 3.92Å; F69-Y137 HydrophobicContact CZ-CG 3.92Å; Y70-Y137 PolarHBondContact OH-N 3.17Å; F135-Y137 PolarHBondContact O-N 3.05Å; Y137-D139 HydrophobicContact CD1-CB 3.8Å; Y137-D139 HydrophobicContact CE1-CB 3.76Å; Y137-D139 VanDerWaalsContact CE1-OD2 3.31Å; Y137-D139 WeakPolarHBondContact CE1-OD2 3.31Å; Y137-D139 PolarHBondContact O-N 3.26Å; Y137-F140 HydrophobicContact CD1-CD2 4.24Å; Y137-F140 AromaticContact CD1-CE2 3.99Å; Y137-F140 HydrophobicContact CD1-CE2 3.99Å; Y137-F140 HydrophobicContact CG-CE2 4.45Å; Y137-F140 PolarHBondContact O-N 2.91Å; Y137-A141 PolarHBondContact O-N 3.34Å |
| 138 | R | 83.9 | Confident | 84.7 | Confident | 116 Ų | 116 | 56.4 Ų | 56.4 | 44% | 0.438 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -60.3 | -31.5 | -168.3 | -176.7 | 178.7 | -68.1 | 158.3 | 9.7 | 112.9 | A35 D36 V37 F140 A141 | A35-R138 PolarHBondContact O-NH2 3.48Å; D36-R138 WeakPolarHBondContact O-CA 3.32Å; D36-R138 WeakPolarHBondContact O-CB 3.37Å; D36-R138 PolarHBondContact O-N 3.28Å; V37-R138 PolarHBondContact O-NH2 2.92Å; R138-F140 PolarHBondContact O-N 3.17Å; R138-A141 CarbonylContact O-C 3.6Å; R138-A141 VanDerWaalsContact O-CA 3.26Å; R138-A141 WeakPolarHBondContact O-CA 3.42Å; R138-A141 WeakPolarHBondContact O-CB 3.21Å; R138-A141 PolarHBondContact O-N 3.39Å |
| 139 | D | 82.4 | Confident | 84.8 | Confident | 80 Ų | 80 | 50 Ų | 50 | 43% | 0.428 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -64.2 | -30.3 | 176.7 | -68.1 | -2.7 | 0 | 0 | 0 | 112.3 | Y137 A141 T142 | Y137-D139 HydrophobicContact CD1-CB 3.8Å; Y137-D139 HydrophobicContact CE1-CB 3.76Å; Y137-D139 VanDerWaalsContact CE1-OD2 3.31Å; Y137-D139 WeakPolarHBondContact CE1-OD2 3.31Å; Y137-D139 PolarHBondContact O-N 3.26Å; D139-A141 PolarHBondContact O-N 3.23Å; D139-T142 VanDerWaalsContact O-CG2 3.23Å; D139-T142 WeakPolarHBondContact O-CG2 3.31Å; D139-T142 PolarHBondContact O-OG1 3.49Å |
| 140 | F | 87.2 | Confident | 85.1 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -85.2 | 2.1 | 172.6 | -50.4 | -48.8 | 0 | 0 | 0 | 112.8 | M62 M66 F69 Y70 R103 L136 Y137 R138 | M62-F140 HydrophobicContact CG-CD1 4.3Å; M66-F140 VanDerWaalsContact CA-CZ 3.46Å; M66-F140 HydrophobicContact CB-CD1 3.77Å; M66-F140 HydrophobicContact CB-CD2 4.03Å; M66-F140 HydrophobicContact CB-CE1 3.92Å; M66-F140 HydrophobicContact CB-CE2 4.19Å; M66-F140 HydrophobicContact CB-CG 3.84Å; M66-F140 HydrophobicContact CB-CZ 4.15Å; M66-F140 HydrophobicContact CG-CB 4.3Å; M66-F140 HydrophobicContact CG-CD1 4.28Å; M66-F140 HydrophobicContact CG-CD2 3.71Å; M66-F140 HydrophobicContact CG-CE2 4.12Å; M66-F140 HydrophobicContact CG-CG 3.82Å; M66-F140 HydrophobicContact SD-CB 4.44Å; F69-F140 HydrophobicContact CB-CE2 3.75Å; F69-F140 HydrophobicContact CB-CZ 3.7Å; F69-F140 AromaticContact CD1-CE2 3.64Å; F69-F140 HydrophobicContact CD1-CE2 3.64Å; F69-F140 HydrophobicContact CD1-CZ 4.4Å; F69-F140 HydrophobicContact CD2-CE2 4.47Å; F69-F140 HydrophobicContact CE1-CE2 4.29Å; F69-F140 AromaticContact CG-CE2 3.72Å; F69-F140 HydrophobicContact CG-CE2 3.72Å; F69-F140 HydrophobicContact CG-CZ 4.01Å; Y70-F140 AromaticContact CE2-CD2 3.96Å; Y70-F140 HydrophobicContact CE2-CD2 3.96Å; Y70-F140 HydrophobicContact CE2-CE2 4.11Å; R103-F140 PolarHBondContact NH1-O 2.79Å; L136-F140 HydrophobicContact CD1-CB 3.87Å; Y137-F140 HydrophobicContact CD1-CD2 4.24Å; Y137-F140 AromaticContact CD1-CE2 3.99Å; Y137-F140 HydrophobicContact CD1-CE2 3.99Å; Y137-F140 HydrophobicContact CG-CE2 4.45Å; Y137-F140 PolarHBondContact O-N 2.91Å; R138-F140 PolarHBondContact O-N 3.17Å |
| 141 | A | 83.8 | Confident | 85.1 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 5% | 0.05 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -105.2 | 24.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E38 L136 Y137 R138 D139 F144 | E38-A141 HydrophobicContact CB-CB 3.91Å; E38-A141 HydrophobicContact CG-CB 4.09Å; L136-A141 HydrophobicContact CD2-CB 3.67Å; L136-A141 HydrophobicContact CG-CB 4.12Å; Y137-A141 PolarHBondContact O-N 3.34Å; R138-A141 CarbonylContact O-C 3.6Å; R138-A141 VanDerWaalsContact O-CA 3.26Å; R138-A141 WeakPolarHBondContact O-CA 3.42Å; R138-A141 WeakPolarHBondContact O-CB 3.21Å; R138-A141 PolarHBondContact O-N 3.39Å; D139-A141 PolarHBondContact O-N 3.23Å; A141-F144 HydrophobicContact CB-CE1 3.97Å; A141-F144 HydrophobicContact CB-CZ 3.59Å; A141-F144 WeakPolarHBondContact O-CE2 3.48Å; A141-F144 WeakPolarHBondContact O-CZ 2.97Å |
| 142 | T | 78.2 | Confident | 84.9 | Confident | 99 Ų | 99 | 44.1 Ų | 44.1 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -92.7 | -32.2 | -178.6 | 48.5 | 0 | 0 | 0 | 0 | 113 | D139 | D139-T142 VanDerWaalsContact O-CG2 3.23Å; D139-T142 WeakPolarHBondContact O-CG2 3.31Å; D139-T142 PolarHBondContact O-OG1 3.49Å |
| 143 | C | 76.6 | Confident | 84.5 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | trans | -116.1 | 102.4 | -179.8 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | W56 M62 R103 | W56-C143 HydrophobicContact CH2-CB 4.26Å; W56-C143 VanDerWaalsContact CH2-O 3.3Å; W56-C143 WeakPolarHBondContact CH2-O 3.44Å; W56-C143 HydrophobicContact CZ2-CB 4.14Å; M62-C143 HydrophobicContact SD-CB 4.08Å; R103-C143 PolarHBondContact NH1-O 3.48Å; R103-C143 PolarHBondContact NH2-O 3.42Å | ||
| 144 | F | 82.3 | Confident | 83.8 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 21% | 0.211 | 27% | 0.274 | C | S | . | . | trans | -105.4 | 148.5 | 176.7 | -61.3 | -50.2 | 0 | 0 | 0 | 112.1 | Y42 L91 I121 L136 A141 L148 | Y42-F144 HydrophobicContact CE1-CD2 4.27Å; Y42-F144 AromaticContact CE1-CE2 3.86Å; Y42-F144 HydrophobicContact CE1-CE2 3.86Å; Y42-F144 HydrophobicContact CE1-CZ 4.29Å; Y42-F144 AromaticContact CZ-CE2 3.84Å; Y42-F144 AromaticContact CZ-CZ 3.96Å; Y42-F144 WeakPolarHBondContact OH-CE2 3.41Å; L91-F144 HydrophobicContact CD1-CD1 4.15Å; L91-F144 HydrophobicContact CD1-CE1 3.31Å; L91-F144 HydrophobicContact CD1-CE2 4.5Å; L91-F144 HydrophobicContact CD1-CZ 3.5Å; L91-F144 VanDerWaalsContact CD1-CZ 3.5Å; I121-F144 HydrophobicContact CD1-CD1 4.15Å; I121-F144 HydrophobicContact CD1-CE1 4.47Å; L136-F144 HydrophobicContact CD2-CE1 4.46Å; A141-F144 HydrophobicContact CB-CE1 3.97Å; A141-F144 HydrophobicContact CB-CZ 3.59Å; A141-F144 WeakPolarHBondContact O-CE2 3.48Å; A141-F144 WeakPolarHBondContact O-CZ 2.97Å; F144-L148 HydrophobicContact CB-CB 4.47Å; F144-L148 HydrophobicContact CB-CD2 3.93Å; F144-L148 HydrophobicContact CD1-CD2 3.67Å; F144-L148 HydrophobicContact CD2-CD2 4.4Å; F144-L148 HydrophobicContact CE1-CD2 4.24Å; F144-L148 HydrophobicContact CG-CD2 3.75Å | ||
| 145 | P | 82.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | trans | -62.8 | 148.3 | 169.2 | 29.9 | -36.9 | 0 | 0 | 0 | 110.6 | W56 I121 W147 L148 | W56-P145 HydrophobicContact CB-CB 4.44Å; W56-P145 HydrophobicContact CD2-CB 3.89Å; W56-P145 HydrophobicContact CE3-CB 3.59Å; W56-P145 HydrophobicContact CE3-CG 4.39Å; W56-P145 HydrophobicContact CG-CB 4.27Å; W56-P145 HydrophobicContact CZ3-CB 4.13Å; W56-P145 HydrophobicContact CZ3-CG 4.5Å; I121-P145 HydrophobicContact CB-CG 4.26Å; I121-P145 WeakPolarHBondContact O-CG 3.42Å; P145-W147 HydrophobicContact CB-CD2 3.97Å; P145-W147 VanDerWaalsContact CB-CE2 3.47Å; P145-W147 HydrophobicContact CB-CG 4.15Å; P145-W147 HydrophobicContact CB-CZ2 4.01Å; P145-W147 VanDerWaalsContact CB-NE1 3.28Å; P145-W147 HydrophobicContact CG-CD2 3.85Å; P145-W147 VanDerWaalsContact CG-CE2 3.45Å; P145-W147 HydrophobicContact CG-CE3 4.23Å; P145-W147 HydrophobicContact CG-CG 4.49Å; P145-W147 HydrophobicContact CG-CH2 4.06Å; P145-W147 HydrophobicContact CG-CZ2 3.59Å; P145-W147 HydrophobicContact CG-CZ3 4.31Å; P145-W147 PolarHBondContact O-N 3Å; P145-L148 HydrophobicContact CG-CB 3.99Å; P145-L148 WeakPolarHBondContact O-CB 3.03Å; P145-L148 PolarHBondContact O-N 3.48Å | ||
| 146 | P | 79.1 | Confident | 81.7 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -10.6 | -174.9 | 25.7 | -34.5 | 0 | 0 | 0 | 114.5 | L53 | L53-P146 HydrophobicContact CB-CG 4.02Å; L53-P146 HydrophobicContact CD1-CB 4.25Å; L53-P146 HydrophobicContact CD1-CG 4.09Å; L53-P146 HydrophobicContact CD2-CB 4.46Å; L53-P146 HydrophobicContact CD2-CG 3.79Å; L53-P146 HydrophobicContact CG-CG 4.19Å |
| 147 | W | 81.3 | Confident | 80.5 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -4 | 175.8 | 53 | -105.6 | 0 | 0 | 0 | 113.6 | A44 S45 L54 I121 Y124 P145 | A44-W147 HydrophobicContact CB-CE3 4.14Å; A44-W147 HydrophobicContact CB-CZ3 3.84Å; S45-W147 PolarHBondContact N-O 2.88Å; L54-W147 HydrophobicContact CD2-CG 4.48Å; I121-W147 HydrophobicContact CB-CH2 4.08Å; I121-W147 HydrophobicContact CG2-CH2 4.29Å; I121-W147 WeakPolarHBondContact O-CZ2 3.46Å; Y124-W147 HydrophobicContact CD2-CD2 4.24Å; Y124-W147 AromaticContact CD2-CE2 3.92Å; Y124-W147 HydrophobicContact CD2-CE3 4.27Å; Y124-W147 AromaticContact CD2-CH2 3.57Å; Y124-W147 HydrophobicContact CD2-CH2 3.57Å; Y124-W147 AromaticContact CD2-CZ2 3.58Å; Y124-W147 HydrophobicContact CD2-CZ2 3.58Å; Y124-W147 AromaticContact CD2-CZ3 3.98Å; Y124-W147 HydrophobicContact CD2-CZ3 3.98Å; Y124-W147 HydrophobicContact CE2-CE3 4.28Å; Y124-W147 HydrophobicContact CE2-CH2 4.18Å; Y124-W147 HydrophobicContact CE2-CZ2 4.47Å; Y124-W147 HydrophobicContact CE2-CZ3 4.13Å; Y124-W147 HydrophobicContact CG-CZ2 4.4Å; P145-W147 HydrophobicContact CB-CD2 3.97Å; P145-W147 VanDerWaalsContact CB-CE2 3.47Å; P145-W147 HydrophobicContact CB-CG 4.15Å; P145-W147 HydrophobicContact CB-CZ2 4.01Å; P145-W147 VanDerWaalsContact CB-NE1 3.28Å; P145-W147 HydrophobicContact CG-CD2 3.85Å; P145-W147 VanDerWaalsContact CG-CE2 3.45Å; P145-W147 HydrophobicContact CG-CE3 4.23Å; P145-W147 HydrophobicContact CG-CG 4.49Å; P145-W147 HydrophobicContact CG-CH2 4.06Å; P145-W147 HydrophobicContact CG-CZ2 3.59Å; P145-W147 HydrophobicContact CG-CZ3 4.31Å; P145-W147 PolarHBondContact O-N 3Å |
| 148 | L | 87.5 | Confident | 79.3 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 9% | 0.089 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114 | 175.9 | -170.2 | 77.6 | 0 | 0 | 0 | 109 | Y42 L91 I105 I121 F144 P145 | Y42-L148 HydrophobicContact CD1-CD2 3.88Å; Y42-L148 HydrophobicContact CD1-CG 3.92Å; Y42-L148 HydrophobicContact CE1-CD2 4.39Å; Y42-L148 HydrophobicContact CG-CD2 4.23Å; Y42-L148 HydrophobicContact CG-CG 4.27Å; L91-L148 HydrophobicContact CD1-CD2 3.97Å; L91-L148 HydrophobicContact CD2-CD1 4.29Å; L91-L148 HydrophobicContact CD2-CD2 4.01Å; I105-L148 HydrophobicContact CD1-CD1 3.82Å; I121-L148 HydrophobicContact CG2-CD1 4.41Å; F144-L148 HydrophobicContact CB-CB 4.47Å; F144-L148 HydrophobicContact CB-CD2 3.93Å; F144-L148 HydrophobicContact CD1-CD2 3.67Å; F144-L148 HydrophobicContact CD2-CD2 4.4Å; F144-L148 HydrophobicContact CE1-CD2 4.24Å; F144-L148 HydrophobicContact CG-CD2 3.75Å; P145-L148 HydrophobicContact CG-CB 3.99Å; P145-L148 WeakPolarHBondContact O-CB 3.03Å; P145-L148 PolarHBondContact O-N 3.48Å |
| 149 | E | 86.8 | Confident | 78.4 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.7 | -175.5 | -66.7 | 175.5 | -171.9 | 0 | 0 | 110.1 | Y42 S43 S45 V151 | Y42-E149 CarbonylContact C-O 3.44Å; Y42-E149 VanDerWaalsContact CA-O 3.26Å; Y42-E149 WeakPolarHBondContact CA-O 3.3Å; S43-E149 PolarHBondContact N-O 3.4Å; S43-E149 PolarHBondContact O-N 3.22Å; S45-E149 WeakPolarHBondContact CB-OE1 3.34Å; E149-V151 PolarHBondContact O-N 3.16Å |
| 150 | L | 88.4 | Confident | 76.9 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 115.7 | 173.2 | 179.4 | 67.1 | 0 | 0 | 0 | 109.2 | R40 Y42 | R40-L150 HydrophobicContact CB-CD1 3.63Å; R40-L150 HydrophobicContact CG-CD1 4.31Å; Y42-L150 HydrophobicContact CD1-CB 4.26Å; Y42-L150 HydrophobicContact CD1-CD1 4.2Å; Y42-L150 HydrophobicContact CE1-CB 4.14Å; Y42-L150 HydrophobicContact CE1-CD1 3.82Å; Y42-L150 HydrophobicContact CE2-CD1 4.33Å |
| 151 | V | 86.9 | Confident | 75 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -45.7 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | E41 S43 E149 | E41-V151 HydrophobicContact CG-CB 4.46Å; E41-V151 WeakPolarHBondContact O-CB 3.2Å; E41-V151 PolarHBondContact O-N 3.47Å; S43-V151 VanDerWaalsContact CB-CG2 3.42Å; S43-V151 WeakPolarHBondContact OG-CG2 3.49Å; E149-V151 PolarHBondContact O-N 3.16Å |
| 152 | N | 80.6 | Confident | 73 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 35% | 0.348 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 118.8 | -178.5 | -167.4 | -6.4 | 0 | 0 | 0 | 110.4 | E41 R154 | E41-N152 HydrophobicContact CB-CB 3.94Å; E41-N152 PolarHBondContact N-O 2.91Å; E41-N152 PolarHBondContact O-N 2.99Å; E41-N152 VanDerWaalsContact O-N 3.13Å; N152-R154 VanDerWaalsContact C-N 3.27Å; N152-R154 PolarHBondContact ND2-O 3.22Å; N152-R154 PolarHBondContact O-N 3.3Å; N152-R154 PolarHBondContact OD1-N 2.91Å; N152-R154 PolarHBondContact OD1-O 2.9Å |
| 153 | S | 79.6 | Confident | 71.3 | Confident | 81 Ų | 81 | 70.6 Ų | 70.6 | 57% | 0.566 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74.2 | -18.7 | 177.6 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | P155 | S153-P155 WeakPolarHBondContact O-CD 3.39Š|
| 154 | R | 75.3 | Confident | 69.6 | Low | 203 Ų | 203 | 68.6 Ų | 68.6 | 77% | 0.766 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -96.2 | 115.4 | 177.6 | -67.4 | -174.3 | -179.6 | -177.2 | 0.6 | 109.8 | N152 | N152-R154 VanDerWaalsContact C-N 3.27Å; N152-R154 PolarHBondContact ND2-O 3.22Å; N152-R154 PolarHBondContact O-N 3.3Å; N152-R154 PolarHBondContact OD1-N 2.91Å; N152-R154 PolarHBondContact OD1-O 2.9Å |
| 155 | P | 70.6 | Confident | 68.1 | Low | 57 Ų | 57 | 67.1 Ų | 67.1 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | trans | -56.7 | 148.1 | 176.4 | -28.5 | 37.9 | 0 | 0 | 0 | 113.3 | L39 R40 S153 F157 | L39-P155 HydrophobicContact CB-CB 3.77Å; L39-P155 HydrophobicContact CB-CG 4.17Å; L39-P155 WeakPolarHBondContact O-CA 3.4Å; L39-P155 WeakPolarHBondContact O-CB 3.13Å; R40-P155 HydrophobicContact CG-CG 4.41Å; S153-P155 WeakPolarHBondContact O-CD 3.39Å; P155-F157 WeakPolarHBondContact CB-O 3.2Å; P155-F157 PolarHBondContact O-N 2.67Å | ||
| 156 | R | 64.8 | Low | 66.8 | Low | 144 Ų | 144 | 67.6 Ų | 67.6 | 54% | 0.543 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -66.6 | -31.1 | 171.7 | -71.6 | -172.6 | -179.5 | -143.3 | -1.3 | 112.5 | E41 | E41-R156 IonicContact OE1-NH2 2.93Å; E41-R156 IonicContact OE2-CZ 3.34Å; E41-R156 IonicContact OE2-NE 2.64Å; E41-R156 PolarHBondContact OE2-NE 3.39Å; E41-R156 IonicContact OE2-NH2 3.27Å; E41-R156 PolarHBondContact OE2-NH2 2.69Å |
| 157 | F | 65.8 | Low | 65.5 | Low | 44 Ų | 44 | 70.8 Ų | 70.8 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -130 | 142.3 | 175 | -47.7 | -77.5 | 0 | 0 | 0 | 108 | L39 F87 P155 | L39-F157 WeakPolarHBondContact CD1-O 3.08Å; F87-F157 HydrophobicContact CD1-CD2 4.35Å; F87-F157 HydrophobicContact CD1-CE2 4.13Å; F87-F157 HydrophobicContact CE1-CD2 4.48Å; P155-F157 WeakPolarHBondContact CB-O 3.2Å; P155-F157 PolarHBondContact O-N 2.67Å |
| 158 | S | 62.4 | Low | 64 | Low | 55 Ų | 55 | 71.4 Ų | 71.4 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -127.8 | 140.2 | 170.4 | 56.7 | 0 | 0 | 0 | 0 | 108.8 | P160 Y167 | S158-P160 VanDerWaalsContact O-CD 3.3Å; S158-P160 WeakPolarHBondContact O-CD 3.43Å; S158-Y167 PolarHBondContact O-N 2.88Å |
| 159 | W | 63.1 | Low | 62.3 | Low | 20 Ų | 20 | 81.5 Ų | 81.5 | 8% | 0.076 | 39% | 0.388 | C | S | . | . | trans | -91.6 | 109.8 | 161.6 | -80.3 | -96.9 | 0 | 0 | 0 | 107.4 | M34 A35 L39 L85 F135 D161 P166 | M34-W159 HydrophobicContact CB-CB 4.22Å; M34-W159 HydrophobicContact CB-CD2 3.69Å; M34-W159 HydrophobicContact CB-CE3 4.22Å; M34-W159 HydrophobicContact CB-CG 3.65Å; M34-W159 HydrophobicContact CE-CD2 4.42Å; M34-W159 HydrophobicContact CE-CE3 4.34Å; M34-W159 HydrophobicContact CE-CH2 3.53Å; M34-W159 HydrophobicContact CE-CZ2 3.6Å; M34-W159 HydrophobicContact CE-CZ3 3.91Å; A35-W159 HydrophobicContact CB-CB 4.39Å; L39-W159 HydrophobicContact CD1-CE3 3.53Å; L39-W159 HydrophobicContact CD1-CZ3 3.46Å; L39-W159 VanDerWaalsContact CD1-CZ3 3.46Å; L39-W159 HydrophobicContact CD2-CZ3 4.18Å; L39-W159 HydrophobicContact CG-CZ3 4.45Å; L85-W159 HydrophobicContact CD1-CH2 4.48Å; F135-W159 HydrophobicContact CZ-CH2 4.18Å; W159-D161 VanDerWaalsContact C-N 3.29Å; W159-D161 PolarHBondContact O-N 2.68Å; W159-P166 HydrophobicContact CD2-CB 4.31Å; W159-P166 HydrophobicContact CH2-CB 4.33Å; W159-P166 HydrophobicContact CZ2-CB 3.79Å; W159-P166 HydrophobicContact CZ2-CG 4.15Å | ||
| 160 | P | 52.6 | Low | 60.6 | Low | 80 Ų | 80 | 82.6 Ų | 82.6 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | trans | -58.1 | -40.3 | -176.5 | -13.4 | 11.7 | 0 | 0 | 0 | 113.3 | S158 S164 L165 | S158-P160 VanDerWaalsContact O-CD 3.3Å; S158-P160 WeakPolarHBondContact O-CD 3.43Å; P160-S164 WeakPolarHBondContact CB-OG 3.41Å; P160-S164 VanDerWaalsContact CG-CB 3.44Å; P160-S164 WeakPolarHBondContact CG-OG 3.1Å; P160-L165 WeakPolarHBondContact CD-O 3.47Å | ||
| 161 | D | 46.8 | Very low | 59.1 | Low | 78 Ų | 78 | 82.5 Ų | 82.5 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -155.2 | -178.5 | 178 | 64 | 42.2 | 0 | 0 | 0 | 111.4 | W159 Y163 S164 | W159-D161 VanDerWaalsContact C-N 3.29Å; W159-D161 PolarHBondContact O-N 2.68Å; D161-Y163 PolarHBondContact O-N 2.75Å; D161-Y163 PolarHBondContact OD1-N 2.95Å; D161-S164 PolarHBondContact N-OG 3.41Å; D161-S164 PolarHBondContact O-N 3.28Å; D161-S164 VanDerWaalsContact O-N 3.09Å; D161-S164 WeakPolarHBondContact OD1-CB 3.26Å; D161-S164 PolarHBondContact OD1-N 2.82Å; D161-S164 PolarHBondContact OD1-OG 3.08Å; D161-S164 PolarHBondContact OD2-OG 3.12Å; D161-S164 VanDerWaalsContact OD2-OG 3.13Å |
| 162 | R | 41.6 | Very low | 58 | Low | 92 Ų | 92 | 84.3 Ų | 84.3 | 35% | 0.347 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -26.1 | -178.6 | 179.8 | -175.4 | -78 | -152.9 | -8.3 | 114.6 | E31 | E31-R162 IonicContact OE1-NH1 3.17Å; E31-R162 IonicContact OE2-CZ 3.12Å; E31-R162 IonicContact OE2-NH1 3.25Å; E31-R162 PolarHBondContact OE2-NH1 2.91Å; E31-R162 IonicContact OE2-NH2 2.69Å; E31-R162 PolarHBondContact OE2-NH2 3.48Å |
| 163 | Y | 42.4 | Very low | 57.4 | Low | 114 Ų | 114 | 83.6 Ų | 83.6 | 45% | 0.447 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -2.5 | -173.7 | -53 | -67 | 0 | 0 | 0 | 112.2 | D161 P271 | D161-Y163 PolarHBondContact O-N 2.75Å; D161-Y163 PolarHBondContact OD1-N 2.95Å; Y163-P271 HydrophobicContact CD1-CB 4.2Å; Y163-P271 WeakPolarHBondContact CD1-O 3.44Å; Y163-P271 WeakPolarHBondContact CE1-O 3.44Å |
| 164 | S | 41.8 | Very low | 57.5 | Low | 16 Ų | 16 | 87.2 Ų | 87.2 | 11% | 0.112 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 147.1 | -172.1 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | P160 D161 | P160-S164 WeakPolarHBondContact CB-OG 3.41Å; P160-S164 VanDerWaalsContact CG-CB 3.44Å; P160-S164 WeakPolarHBondContact CG-OG 3.1Å; D161-S164 PolarHBondContact N-OG 3.41Å; D161-S164 PolarHBondContact O-N 3.28Å; D161-S164 VanDerWaalsContact O-N 3.09Å; D161-S164 WeakPolarHBondContact OD1-CB 3.26Å; D161-S164 PolarHBondContact OD1-N 2.82Å; D161-S164 PolarHBondContact OD1-OG 3.08Å; D161-S164 PolarHBondContact OD2-OG 3.12Å; D161-S164 VanDerWaalsContact OD2-OG 3.13Å |
| 165 | L | 50.6 | Low | 57.8 | Low | 16 Ų | 16 | 80.1 Ų | 80.1 | 8% | 0.084 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 153.8 | 169.9 | -66.7 | 143.4 | 0 | 0 | 0 | 108.6 | P160 Y167 L243 A245 C292 | P160-L165 WeakPolarHBondContact CD-O 3.47Å; L165-Y167 PolarHBondContact O-N 3.38Å; L165-L243 HydrophobicContact CD1-CB 3.65Å; L165-L243 HydrophobicContact CD1-CD2 3.59Å; L165-L243 HydrophobicContact CD1-CG 3.55Å; L165-L243 WeakPolarHBondContact CD1-O 3.33Å; L165-L243 HydrophobicContact CD2-CB 4.01Å; L165-L243 HydrophobicContact CD2-CD2 3.97Å; L165-L243 HydrophobicContact CD2-CG 4.44Å; L165-L243 HydrophobicContact CG-CB 4.41Å; L165-L243 HydrophobicContact CG-CD2 4.37Å; L165-A245 HydrophobicContact CD1-CB 4.1Å; L165-C292 HydrophobicContact CD2-CB 3.8Å; L165-C292 WeakPolarHBondContact CD2-O 3.34Å |
| 166 | P | 54.3 | Low | 58.5 | Low | 11 Ų | 11 | 83.3 Ų | 83.3 | 7% | 0.071 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -55 | 119.6 | 173.6 | 21.8 | -30.1 | 0 | 0 | 0 | 108.3 | W159 A168 D293 | W159-P166 HydrophobicContact CD2-CB 4.31Å; W159-P166 HydrophobicContact CH2-CB 4.33Å; W159-P166 HydrophobicContact CZ2-CB 3.79Å; W159-P166 HydrophobicContact CZ2-CG 4.15Å; P166-A168 PolarHBondContact O-N 3.24Å; P166-D293 HydrophobicContact CG-CB 4.07Å |
| 167 | Y | 53.2 | Low | 59.4 | Low | 137 Ų | 137 | 78.6 Ų | 78.6 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -71.6 | 86.8 | 173.4 | -168.9 | -92.2 | 0 | 0 | 0 | 107.5 | S158 L165 | S158-Y167 PolarHBondContact O-N 2.88Å; L165-Y167 PolarHBondContact O-N 3.38Å |
| 168 | A | 49.7 | Very low | 60.1 | Low | 25 Ų | 25 | 77.1 Ų | 77.1 | 21% | 0.207 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 144.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | P166 P170 | P166-A168 PolarHBondContact O-N 3.24Å; A168-P170 VanDerWaalsContact O-N 3.12Å |
| 169 | R | 50.7 | Low | 60.8 | Low | 228 Ų | 228 | 77.2 Ų | 77.2 | 86% | 0.86 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 125.2 | 173.8 | -75.2 | -176.3 | -177.7 | -178.1 | 1 | 107.9 | V171 | R169-V171 PolarHBondContact O-N 3.41Š|
| 170 | P | 51.3 | Low | 61 | Low | 105 Ų | 105 | 83.4 Ų | 83.4 | 68% | 0.682 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 118.1 | -178.2 | 20 | -29.6 | 0 | 0 | 0 | 108.8 | A168 | A168-P170 VanDerWaalsContact O-N 3.12Š|
| 171 | V | 57.6 | Low | 61.5 | Low | 79 Ų | 79 | 86.4 Ų | 86.4 | 48% | 0.479 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 132.4 | 161.5 | -175.1 | 0 | 0 | 0 | 0 | 105.4 | R169 C173 Q240 | R169-V171 PolarHBondContact O-N 3.41Å; V171-C173 PolarHBondContact O-N 2.81Å; V171-Q240 HydrophobicContact CB-CG 4.29Å; V171-Q240 HydrophobicContact CG1-CG 3.86Å |
| 172 | T | 63.3 | Low | 62.1 | Low | 121 Ų | 121 | 86.3 Ų | 86.3 | 74% | 0.742 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 118.2 | 176.4 | -48.1 | 0 | 0 | 0 | 0 | 108.7 | E174 | T172-E174 PolarHBondContact O-N 3.05Š|
| 173 | C | 68.8 | Low | 62.6 | Low | 49 Ų | 49 | 86.2 Ų | 86.2 | 33% | 0.331 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 118.8 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | V171 F175 | V171-C173 PolarHBondContact O-N 2.81Å; C173-F175 VanDerWaalsContact C-N 3.27Å; C173-F175 PolarHBondContact SG-O 3.22Å |
| 174 | E | 80.9 | Confident | 62.4 | Low | 158 Ų | 158 | 89.3 Ų | 89.3 | 74% | 0.738 | 43% | 0.433 | S | S | * | . | trans | -82.2 | -8.6 | 177.4 | -63.5 | -178.8 | 170.9 | 0 | 0 | 112.6 | T172 | T172-E174 PolarHBondContact O-N 3.05Š| ||
| 175 | F | 81.8 | Confident | 62.1 | Low | 53 Ų | 53 | 95.2 Ų | 95.2 | 23% | 0.232 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -105.6 | 143.3 | -173.5 | -58.2 | -82.7 | 0 | 0 | 0 | 112.8 | C173 I177 F233 Y237 L241 V299 | C173-F175 VanDerWaalsContact C-N 3.27Å; C173-F175 PolarHBondContact SG-O 3.22Å; F175-I177 PolarHBondContact O-N 2.94Å; F175-F233 HydrophobicContact CD1-CE2 4.14Å; F175-F233 AromaticContact CD1-CZ 3.83Å; F175-F233 HydrophobicContact CD1-CZ 3.83Å; F175-F233 HydrophobicContact CD2-CZ 4.18Å; F175-F233 AromaticContact CE1-CE2 3.63Å; F175-F233 HydrophobicContact CE1-CE2 3.63Å; F175-F233 AromaticContact CE1-CZ 3.74Å; F175-F233 HydrophobicContact CE1-CZ 3.74Å; F175-F233 HydrophobicContact CE2-CE2 4.47Å; F175-F233 HydrophobicContact CE2-CZ 4.1Å; F175-F233 HydrophobicContact CG-CZ 4.05Å; F175-F233 AromaticContact CZ-CE2 3.82Å; F175-F233 HydrophobicContact CZ-CE2 3.82Å; F175-F233 AromaticContact CZ-CZ 3.87Å; F175-F233 HydrophobicContact CZ-CZ 3.87Å; F175-Y237 AromaticContact CE2-CD1 3.41Å; F175-Y237 HydrophobicContact CE2-CD1 3.41Å; F175-Y237 VanDerWaalsContact CE2-CD1 3.41Å; F175-Y237 HydrophobicContact CE2-CD2 4.21Å; F175-Y237 AromaticContact CE2-CE1 3.67Å; F175-Y237 HydrophobicContact CE2-CE1 3.67Å; F175-Y237 HydrophobicContact CE2-CE2 4.44Å; F175-Y237 AromaticContact CE2-CG 3.69Å; F175-Y237 HydrophobicContact CE2-CG 3.69Å; F175-Y237 AromaticContact CZ-CD1 3.79Å; F175-Y237 HydrophobicContact CZ-CD1 3.79Å; F175-Y237 HydrophobicContact CZ-CD2 4.02Å; F175-Y237 AromaticContact CZ-CE1 3.62Å; F175-Y237 HydrophobicContact CZ-CE1 3.62Å; F175-Y237 AromaticContact CZ-CE2 3.89Å; F175-Y237 HydrophobicContact CZ-CE2 3.89Å; F175-Y237 AromaticContact CZ-CG 3.98Å; F175-Y237 HydrophobicContact CZ-CG 3.98Å; F175-Y237 AromaticContact CZ-CZ 3.68Å; F175-L241 HydrophobicContact CB-CD2 4.49Å; F175-V299 HydrophobicContact CB-CG1 3.9Å; F175-V299 HydrophobicContact CB-CG2 3.89Å; F175-V299 HydrophobicContact CD1-CG1 4.42Å; F175-V299 HydrophobicContact CG-CG1 4.47Å; F175-V299 HydrophobicContact CG-CG2 4.36Å |
| 176 | D | 84.5 | Confident | 61.3 | Low | 124 Ų | 124 | 98.9 Ų | 98.9 | 66% | 0.663 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 117.5 | 171.3 | -73 | -27 | 0 | 0 | 0 | 110.5 | V299 K300 | D176-V299 WeakPolarHBondContact O-CG1 3.36Å; D176-K300 HydrophobicContact CB-CB 4.19Å; D176-K300 WeakPolarHBondContact O-CB 3.3Å; D176-K300 PolarHBondContact O-N 3.42Å |
| 177 | I | 84.5 | Confident | 60.5 | Low | 46 Ų | 46 | 103.1 Ų | 103.1 | 24% | 0.236 | 50% | 0.5 | C | S | . | . | B | Isolated β-bridge | trans | -91.7 | 145.8 | 178.4 | 59.9 | 166.5 | 0 | 0 | 0 | 111.9 | F175 T179 L241 L247 H297 L298 | F175-I177 PolarHBondContact O-N 2.94Å; I177-T179 HydrophobicContact CD1-CG2 4.21Å; I177-T179 HydrophobicContact CG1-CG2 4.24Å; I177-L241 HydrophobicContact CG2-CD2 4.03Å; I177-L247 HydrophobicContact CD1-CD1 3.63Å; I177-H297 HydrophobicContact CB-CB 4.05Å; I177-H297 HydrophobicContact CD1-CB 4.43Å; I177-H297 HydrophobicContact CG2-CB 3.62Å; I177-L298 WeakPolarHBondContact CA-O 3.04Å |
| 178 | T | 79.8 | Confident | 60.2 | Low | 13 Ų | 13 | 96.9 Ų | 96.9 | 8% | 0.08 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 124.2 | 172.2 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | E180 P253 L298 K300 T303 | T178-E180 WeakPolarHBondContact CG2-O 3.44Å; T178-P253 HydrophobicContact CG2-CB 3.98Å; T178-P253 HydrophobicContact CG2-CG 3.71Å; T178-L298 PolarHBondContact N-O 2.92Å; T178-K300 WeakPolarHBondContact OG1-CA 3.32Å; T178-T303 HydrophobicContact CG2-CG2 4.13Å; T178-T303 VanDerWaalsContact OG1-CG2 3.25Å; T178-T303 WeakPolarHBondContact OG1-CG2 3.22Å; T178-T303 PolarHBondContact OG1-OG1 2.96Å |
| 179 | T | 76.6 | Confident | 60.4 | Low | 57 Ų | 57 | 97.5 Ų | 97.5 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | trans | -118.7 | -7.4 | 175.9 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | I177 K249 | I177-T179 HydrophobicContact CD1-CG2 4.21Å; I177-T179 HydrophobicContact CG1-CG2 4.24Å; T179-K249 WeakPolarHBondContact O-CE 3.43Å; T179-K249 PolarHBondContact O-NZ 2.92Å | ||
| 180 | E | 68 | Low | 61 | Low | 150 Ų | 150 | 91.4 Ų | 91.4 | 70% | 0.701 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -89.5 | 148.9 | 178 | -64.6 | -174.7 | -176.3 | 0 | 0 | 111 | T178 F182 P253 | T178-E180 WeakPolarHBondContact CG2-O 3.44Å; E180-F182 PolarHBondContact O-N 2.85Å; E180-P253 WeakPolarHBondContact O-CD 3.36Å; E180-P253 WeakPolarHBondContact O-CG 3.36Å |
| 181 | R | 64.1 | Low | 61.7 | Low | 143 Ų | 143 | 87.2 Ų | 87.2 | 54% | 0.54 | 44% | 0.442 | S | S | . | . | trans | -65.5 | 129.3 | 178.3 | -175.3 | 178.4 | -173.2 | -171.7 | -0 | 109.9 | R183 G251 | R181-R183 VanDerWaalsContact C-N 3.34Å; R181-R183 HydrophobicContact CG-CB 4.09Å; R181-G251 WeakPolarHBondContact CA-O 3.33Å; R181-G251 WeakPolarHBondContact CG-O 3.37Å | ||
| 182 | F | 59.3 | Low | 62.2 | Low | 75 Ų | 75 | 90.7 Ų | 90.7 | 33% | 0.329 | 45% | 0.453 | S | S | . | . | trans | -75.6 | -22.6 | -178.9 | -158.3 | -107.8 | 0 | 0 | 0 | 112.7 | E180 K184 P253 L282 T303 | E180-F182 PolarHBondContact O-N 2.85Å; F182-K184 PolarHBondContact O-N 2.98Å; F182-P253 HydrophobicContact CB-CB 4.21Å; F182-P253 HydrophobicContact CB-CG 3.58Å; F182-L282 HydrophobicContact CD1-CD1 4.24Å; F182-T303 HydrophobicContact CD2-CG2 4.27Å; F182-T303 HydrophobicContact CE2-CG2 4.16Å | ||
| 183 | R | 51.2 | Low | 62 | Low | 90 Ų | 90 | 92.5 Ų | 92.5 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | trans | -65.3 | 71.3 | 171.7 | -77.5 | -169 | -122.8 | -161.9 | -9.8 | 113.3 | R181 F185 E266 | R181-R183 VanDerWaalsContact C-N 3.34Å; R181-R183 HydrophobicContact CG-CB 4.09Å; R183-F185 HydrophobicContact CG-CE2 3.95Å; R183-F185 HydrophobicContact CG-CZ 4.32Å; R183-E266 WeakPolarHBondContact CG-OE2 3.29Å; R183-E266 IonicContact CZ-OE1 3.55Å; R183-E266 IonicContact NE-OE1 2.97Å; R183-E266 PolarHBondContact NE-OE1 3.24Å; R183-E266 IonicContact NE-OE2 2.6Å; R183-E266 IonicContact NH2-OE1 3.59Å; R183-E266 PolarHBondContact NH2-OE1 3.38Å | ||
| 184 | K | 38.2 | Very low | 61.5 | Low | 180 Ų | 180 | 97.1 Ų | 97.1 | 78% | 0.783 | 49% | 0.489 | S | S | * | . | trans | -104.8 | 95.8 | 134.9 | -73.9 | -178.8 | 179.1 | 174.9 | 0 | 105.1 | F182 K186 | F182-K184 PolarHBondContact O-N 2.98Å; K184-K186 VanDerWaalsContact C-N 3.32Å; K184-K186 PolarHBondContact O-N 3.27Å | ||
| 185 | F | 35.3 | Very low | 60.7 | Low | 140 Ų | 140 | 91.1 Ų | 91.1 | 61% | 0.614 | 47% | 0.465 | S | S | * | . | trans | -58.8 | 105.4 | 163 | -69.2 | -79.5 | 0 | 0 | 0 | 105.8 | R183 | R183-F185 HydrophobicContact CG-CE2 3.95Å; R183-F185 HydrophobicContact CG-CZ 4.32Å | ||
| 186 | K | 34.7 | Very low | 60 | Low | 92 Ų | 92 | 92.3 Ų | 92.3 | 40% | 0.4 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 151.7 | 169.6 | -80.7 | -170.4 | -173.8 | 176.9 | 0 | 107.8 | K184 S188 E313 | K184-K186 VanDerWaalsContact C-N 3.32Å; K184-K186 PolarHBondContact O-N 3.27Å; K186-S188 PolarHBondContact O-N 2.93Å; K186-E313 HydrophobicContact CB-CB 4.46Å; K186-E313 WeakPolarHBondContact CD-OE1 3.16Å; K186-E313 WeakPolarHBondContact CD-OE2 3.4Å; K186-E313 IonicContact NZ-OE1 2.8Å; K186-E313 PolarHBondContact NZ-OE1 2.78Å; K186-E313 IonicContact NZ-OE2 3.72Å |
| 187 | P | 36.6 | Very low | 59.3 | Low | 101 Ų | 101 | 90.2 Ų | 90.2 | 66% | 0.656 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 129.5 | -173.4 | 20.6 | -32.2 | 0 | 0 | 0 | 110.6 | N358 | P187-N358 WeakPolarHBondContact CA-OD1 3.44Š|
| 188 | S | 47.7 | Very low | 58.6 | Low | 5 Ų | 5 | 89.9 Ų | 89.9 | 4% | 0.035 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 148.6 | 177.1 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | K186 S190 D314 Q355 N358 Y360 | K186-S188 PolarHBondContact O-N 2.93Å; S188-S190 PolarHBondContact O-N 3.25Å; S188-D314 WeakPolarHBondContact CA-OD2 3.29Å; S188-D314 WeakPolarHBondContact CB-OD2 3.21Å; S188-D314 PolarHBondContact OG-OD2 3.06Å; S188-Q355 PolarHBondContact O-NE2 3.12Å; S188-N358 PolarHBondContact N-OD1 2.75Å; S188-N358 VanDerWaalsContact OG-CA 3.27Å; S188-N358 WeakPolarHBondContact OG-CA 3.43Å; S188-N358 VanDerWaalsContact OG-CB 3.22Å; S188-N358 WeakPolarHBondContact OG-CB 3.25Å; S188-N358 PolarHBondContact OG-O 3.27Å; S188-Y360 VanDerWaalsContact C-OH 3.22Å; S188-Y360 WeakPolarHBondContact CB-OH 3.4Å |
| 189 | P | 54.5 | Low | 58.4 | Low | 38 Ų | 38 | 90.9 Ų | 90.9 | 25% | 0.247 | 48% | 0.48 | C | S | . | . | trans | -45 | 120.3 | -179.9 | 9 | -21.1 | 0 | 0 | 0 | 111 | L191 N312 D314 Q355 Y360 | P189-L191 PolarHBondContact O-N 3.17Å; P189-N312 HydrophobicContact CG-CB 4.27Å; P189-D314 WeakPolarHBondContact CD-OD2 3.34Å; P189-Q355 PolarHBondContact O-OE1 3.46Å; P189-Y360 WeakPolarHBondContact CD-OH 3.42Å; P189-Y360 WeakPolarHBondContact CG-OH 3.1Å; P189-Y360 WeakPolarHBondContact O-CE1 3.05Å; P189-Y360 PolarHBondContact O-OH 2.98Å | ||
| 190 | S | 61.3 | Low | 58.5 | Low | 100 Ų | 100 | 91.3 Ų | 91.3 | 70% | 0.699 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 121 | -174.5 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | S188 E192 | S188-S190 PolarHBondContact O-N 3.25Å; S190-E192 PolarHBondContact O-N 3.01Å |
| 191 | L | 67 | Low | 59.2 | Low | 18 Ų | 18 | 84.1 Ų | 84.1 | 9% | 0.094 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 125.7 | 165.5 | -167.8 | 69.1 | 0 | 0 | 0 | 107.6 | P189 N193 S195 I197 T353 Q355 | P189-L191 PolarHBondContact O-N 3.17Å; L191-N193 PolarHBondContact O-N 2.89Å; L191-S195 WeakPolarHBondContact CD1-OG 3.15Å; L191-S195 WeakPolarHBondContact CD2-O 3.29Å; L191-S195 WeakPolarHBondContact CG-OG 3.15Å; L191-I197 HydrophobicContact CD1-CB 4.27Å; L191-I197 HydrophobicContact CD1-CD1 3.71Å; L191-I197 HydrophobicContact CD1-CG1 3.78Å; L191-T353 VanDerWaalsContact CD2-C 3.41Å; L191-T353 WeakPolarHBondContact CD2-O 3.44Å; L191-Q355 HydrophobicContact CB-CB 4.07Å |
| 192 | E | 68.1 | Low | 60.2 | Low | 151 Ų | 151 | 82 Ų | 82 | 71% | 0.706 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 139.4 | 172.7 | -66.7 | -177.1 | 174.6 | 0 | 0 | 108.8 | S190 C194 S195 | S190-E192 PolarHBondContact O-N 3.01Å; E192-C194 PolarHBondContact O-N 3.24Å; E192-S195 PolarHBondContact N-OG 3.05Å; E192-S195 WeakPolarHBondContact O-CB 2.99Å; E192-S195 PolarHBondContact O-N 3.29Å; E192-S195 PolarHBondContact O-OG 3.03Å |
| 193 | N | 60.2 | Low | 61.5 | Low | 160 Ų | 160 | 78.5 Ų | 78.5 | 86% | 0.856 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 130.4 | 179.7 | -74.6 | -20.4 | 0 | 0 | 0 | 110.3 | L191 S195 | L191-N193 PolarHBondContact O-N 2.89Å; N193-S195 PolarHBondContact O-N 3.02Å |
| 194 | C | 56.6 | Low | 62.9 | Low | 145 Ų | 145 | 75.8 Ų | 75.8 | 98% | 0.98 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 15.6 | -178.6 | -51.6 | 0 | 0 | 0 | 0 | 115.9 | E192 | E192-C194 PolarHBondContact O-N 3.24Š|
| 195 | S | 64.7 | Low | 65.1 | Low | 33 Ų | 33 | 70.3 Ų | 70.3 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | trans | -95.7 | 154.6 | 171.1 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | L191 E192 N193 | L191-S195 WeakPolarHBondContact CD1-OG 3.15Å; L191-S195 WeakPolarHBondContact CD2-O 3.29Å; L191-S195 WeakPolarHBondContact CG-OG 3.15Å; E192-S195 PolarHBondContact N-OG 3.05Å; E192-S195 WeakPolarHBondContact O-CB 2.99Å; E192-S195 PolarHBondContact O-N 3.29Å; E192-S195 PolarHBondContact O-OG 3.03Å; N193-S195 PolarHBondContact O-N 3.02Å | ||
| 196 | S | 67 | Low | 67.5 | Low | 78 Ų | 78 | 64.2 Ų | 64.2 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | trans | -125.7 | 136.1 | 169.1 | 61.1 | 0 | 0 | 0 | 0 | 110 | M352 | S196-M352 CarbonylContact C-O 3.5Å; S196-M352 WeakPolarHBondContact CA-O 3.44Å; S196-M352 WeakPolarHBondContact CB-O 3.39Å | ||
| 197 | I | 70.3 | Confident | 69.9 | Low | 80 Ų | 80 | 64.1 Ų | 64.1 | 41% | 0.41 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.9 | -178.7 | -62.4 | 175.1 | 0 | 0 | 0 | 108.6 | L191 L199 M352 | L191-I197 HydrophobicContact CD1-CB 4.27Å; L191-I197 HydrophobicContact CD1-CD1 3.71Å; L191-I197 HydrophobicContact CD1-CG1 3.78Å; I197-L199 HydrophobicContact CG2-CD2 4.22Å; I197-M352 HydrophobicContact CB-CE 3.7Å; I197-M352 HydrophobicContact CD1-CE 4.34Å; I197-M352 HydrophobicContact CG2-CE 3.84Å; I197-M352 PolarHBondContact N-O 2.63Å; I197-M352 WeakPolarHBondContact O-CB 3.22Å; I197-M352 PolarHBondContact O-N 2.91Å |
| 198 | G | 69.2 | Low | 72.3 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F349 F350 | G198-F349 VanDerWaalsContact CA-CZ 3.42Å; G198-F350 WeakPolarHBondContact CA-O 3.14Å |
| 199 | L | 75.9 | Confident | 74 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154 | 175 | 61.4 | 139.1 | 0 | 0 | 0 | 112.4 | I197 V201 P216 L317 F350 M352 | I197-L199 HydrophobicContact CG2-CD2 4.22Å; L199-V201 HydrophobicContact CD1-CG1 3.34Å; L199-V201 HydrophobicContact CG-CG1 3.95Å; L199-P216 HydrophobicContact CD1-CB 3.82Å; L199-P216 HydrophobicContact CD1-CG 3.51Å; L199-L317 HydrophobicContact CD1-CD1 3.64Å; L199-L317 HydrophobicContact CD2-CD1 4.48Å; L199-F350 PolarHBondContact N-O 2.85Å; L199-F350 PolarHBondContact O-N 2.72Å; L199-M352 HydrophobicContact CD2-CE 3.53Å; L199-M352 HydrophobicContact CD2-CG 3.92Å; L199-M352 HydrophobicContact CD2-SD 3.67Å |
| 200 | M | 79.5 | Confident | 75.5 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 129 | 169.8 | -66.4 | -62.9 | -61.6 | 0 | 0 | 110 | P216 L217 D347 L348 F349 | M200-P216 WeakPolarHBondContact O-CA 3.36Å; M200-L217 HydrophobicContact CB-CB 4.35Å; M200-L217 HydrophobicContact CB-CD1 3.54Å; M200-L217 HydrophobicContact CB-CG 3.8Å; M200-L217 HydrophobicContact CE-CD1 4.28Å; M200-L217 HydrophobicContact CG-CD1 4.38Å; M200-L217 PolarHBondContact O-N 3.37Å; M200-D347 HydrophobicContact CE-CB 4.23Å; M200-L348 CarbonylContact C-O 3.45Å; M200-L348 WeakPolarHBondContact CA-O 3.07Å; M200-F349 HydrophobicContact SD-CB 3.88Å; M200-F349 HydrophobicContact SD-CD2 4.07Å |
| 201 | V | 82.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.9 | 179.9 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | L199 I203 A214 T215 P216 L317 F319 D347 L348 F350 L364 | L199-V201 HydrophobicContact CD1-CG1 3.34Å; L199-V201 HydrophobicContact CG-CG1 3.95Å; V201-I203 HydrophobicContact CG2-CD1 4.23Å; V201-A214 HydrophobicContact CB-CB 3.9Å; V201-A214 HydrophobicContact CG2-CB 4.06Å; V201-T215 CarbonylContact C-O 3.55Å; V201-P216 HydrophobicContact CG1-CG 4.25Å; V201-L317 HydrophobicContact CG1-CD1 4.23Å; V201-F319 HydrophobicContact CG2-CE1 4.47Å; V201-D347 CarbonylContact O-C 3.5Å; V201-D347 WeakPolarHBondContact O-CA 3.5Å; V201-L348 WeakPolarHBondContact CG2-O 2.9Å; V201-L348 PolarHBondContact N-O 3.4Å; V201-L348 PolarHBondContact O-N 2.96Å; V201-F350 HydrophobicContact CG1-CB 4.13Å; V201-F350 HydrophobicContact CG2-CB 3.81Å; V201-L364 HydrophobicContact CG2-CD1 4.23Å |
| 202 | R | 84.2 | Confident | 77.7 | Confident | 98 Ų | 98 | 56.6 Ų | 56.6 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.4 | 164.8 | -179.7 | 165.8 | -66 | -178.9 | -0.3 | 109.5 | T204 A214 T215 L217 L220 K346 D347 | R202-T204 PolarHBondContact O-N 3.42Å; R202-A214 CarbonylContact O-C 3.54Å; R202-A214 WeakPolarHBondContact O-CA 3.37Å; R202-A214 WeakPolarHBondContact O-CB 3.47Å; R202-T215 PolarHBondContact N-O 3.46Å; R202-T215 PolarHBondContact O-N 3.29Å; R202-L217 HydrophobicContact CB-CD2 3.89Å; R202-L220 HydrophobicContact CB-CD1 4.15Å; R202-K346 WeakPolarHBondContact CA-O 3.35Å; R202-D347 IonicContact CZ-OD1 3.47Å; R202-D347 IonicContact CZ-OD2 3.79Å; R202-D347 IonicContact NE-OD1 3.23Å; R202-D347 PolarHBondContact NE-OD1 2.92Å; R202-D347 VanDerWaalsContact NH2-CG 3.28Å; R202-D347 IonicContact NH2-OD1 2.65Å; R202-D347 PolarHBondContact NH2-OD1 3.03Å; R202-D347 IonicContact NH2-OD2 2.83Å; R202-D347 PolarHBondContact NH2-OD2 2.8Å |
| 203 | I | 86.4 | Confident | 78.5 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117.9 | 177 | -53.2 | -60.1 | 0 | 0 | 0 | 109.1 | V201 V206 F212 A214 F319 C343 G345 K346 L348 L364 | V201-I203 HydrophobicContact CG2-CD1 4.23Å; I203-V206 HydrophobicContact CG2-CG2 4.21Å; I203-F212 HydrophobicContact CD1-CB 4.32Å; I203-F212 HydrophobicContact CD1-CD1 4.19Å; I203-F212 HydrophobicContact CD1-CG 4.43Å; I203-F212 HydrophobicContact CG2-CD1 3.76Å; I203-A214 HydrophobicContact CD1-CB 3.78Å; I203-F319 HydrophobicContact CD1-CE1 4Å; I203-F319 HydrophobicContact CD1-CZ 3.61Å; I203-C343 HydrophobicContact CB-CB 4.48Å; I203-C343 WeakPolarHBondContact CB-O 3.3Å; I203-C343 HydrophobicContact CG1-CB 4.09Å; I203-C343 HydrophobicContact CG2-CB 4.39Å; I203-G345 PolarHBondContact O-N 3.31Å; I203-K346 PolarHBondContact N-O 3.01Å; I203-L348 HydrophobicContact CD1-CD1 4.41Å; I203-L348 HydrophobicContact CG1-CD1 3.8Å; I203-L364 HydrophobicContact CD1-CD1 4.36Å; I203-L364 HydrophobicContact CD1-CD2 4.21Å |
| 204 | T | 81.5 | Confident | 79.5 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -26.1 | -179.7 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | R202 L213 E284 | R202-T204 PolarHBondContact O-N 3.42Å; T204-L213 PolarHBondContact N-O 2.93Å; T204-L213 PolarHBondContact OG1-O 3.34Å; T204-E284 VanDerWaalsContact CB-O 3.25Å; T204-E284 WeakPolarHBondContact CB-O 3.41Å; T204-E284 PolarHBondContact OG1-O 2.92Å |
| 205 | K | 84.1 | Confident | 80.5 | Confident | 65 Ų | 65 | 35.7 Ų | 35.7 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 143 | 176.3 | -172.7 | 170.5 | 178.4 | 174.8 | 0 | 111.8 | F207 L213 | K205-F207 HydrophobicContact CD-CD1 4.27Å; K205-F207 HydrophobicContact CD-CE1 3.79Å; K205-F207 HydrophobicContact CD-CZ 3.97Å; K205-L213 HydrophobicContact CB-CB 3.9Å; K205-L213 HydrophobicContact CB-CD2 4.41Å; K205-L213 PolarHBondContact N-O 2.97Å; K205-L213 PolarHBondContact O-N 3Å |
| 206 | V | 86.3 | Confident | 81.1 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122 | 166.5 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | I203 E208 F212 V339 E340 | I203-V206 HydrophobicContact CG2-CG2 4.21Å; V206-E208 WeakPolarHBondContact CG1-O 3.07Å; V206-F212 HydrophobicContact CG1-CD1 4.48Å; V206-F212 HydrophobicContact CG1-CE1 4.13Å; V206-F212 HydrophobicContact CG2-CD1 3.96Å; V206-F212 HydrophobicContact CG2-CE1 3.85Å; V206-V339 HydrophobicContact CG1-CG1 3.83Å; V206-V339 HydrophobicContact CG2-CG1 4.21Å; V206-E340 HydrophobicContact CB-CG 4.03Å; V206-E340 HydrophobicContact CG2-CG 3.97Å |
| 207 | F | 84.4 | Confident | 81.3 | Confident | 91 Ų | 91 | 32.6 Ų | 32.6 | 40% | 0.399 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -43.5 | 174 | -70.6 | -74.6 | 0 | 0 | 0 | 110.8 | K205 V211 L213 | K205-F207 HydrophobicContact CD-CD1 4.27Å; K205-F207 HydrophobicContact CD-CE1 3.79Å; K205-F207 HydrophobicContact CD-CZ 3.97Å; F207-V211 HydrophobicContact CB-CB 4.19Å; F207-V211 HydrophobicContact CB-CG1 4.11Å; F207-V211 HydrophobicContact CD2-CG1 4.22Å; F207-V211 PolarHBondContact N-O 3.15Å; F207-L213 HydrophobicContact CE2-CB 3.84Å; F207-L213 HydrophobicContact CE2-CD1 4.42Å |
| 208 | E | 86.9 | Confident | 81.1 | Confident | 75 Ų | 75 | 36.3 Ų | 36.3 | 35% | 0.35 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 161.4 | 172.8 | -63.7 | -174.6 | -158.5 | 0 | 0 | 107.5 | V206 H210 V211 W331 | V206-E208 WeakPolarHBondContact CG1-O 3.07Å; E208-H210 PolarHBondContact O-N 3Å; E208-H210 IonicContact OE2-CE1 2.75Å; E208-H210 PolarHBondContact OE2-CE1 2.84Å; E208-H210 IonicContact OE2-ND1 3.77Å; E208-H210 IonicContact OE2-NE2 3.62Å; E208-V211 HydrophobicContact CB-CB 4.12Å; E208-V211 HydrophobicContact CB-CG2 4.05Å; E208-V211 PolarHBondContact N-O 3.01Å; E208-V211 PolarHBondContact O-N 3.22Å; E208-W331 PolarHBondContact OE2-NE1 2.72Å |
| 209 | P | 84.6 | Confident | 81 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -21.4 | 177.9 | -33.5 | 39.3 | 0 | 0 | 0 | 115.3 | F212 W331 A335 Y336 V339 W381 | P209-F212 WeakPolarHBondContact O-CE2 3.42Å; P209-F212 VanDerWaalsContact O-CZ 3.29Å; P209-F212 WeakPolarHBondContact O-CZ 3.14Å; P209-W331 HydrophobicContact CB-CD2 3.9Å; P209-W331 HydrophobicContact CB-CE3 3.98Å; P209-W331 HydrophobicContact CB-CG 4.43Å; P209-W331 HydrophobicContact CB-CH2 4.44Å; P209-W331 HydrophobicContact CB-CZ2 4.34Å; P209-W331 HydrophobicContact CB-CZ3 4.28Å; P209-W331 HydrophobicContact CG-CB 3.95Å; P209-W331 HydrophobicContact CG-CD2 3.58Å; P209-W331 HydrophobicContact CG-CE3 3.87Å; P209-W331 HydrophobicContact CG-CG 3.64Å; P209-A335 HydrophobicContact CB-CB 4.41Å; P209-A335 HydrophobicContact CG-CB 3.88Å; P209-Y336 HydrophobicContact CG-CD1 4.43Å; P209-Y336 HydrophobicContact CG-CD2 4.34Å; P209-Y336 HydrophobicContact CG-CE2 4.46Å; P209-Y336 HydrophobicContact CG-CG 4.33Å; P209-V339 HydrophobicContact CB-CG2 3.96Å; P209-W381 VanDerWaalsContact O-CZ3 3.22Å; P209-W381 WeakPolarHBondContact O-CZ3 3.46Å |
| 210 | H | 85.4 | Confident | 80.4 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 9% | 0.093 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 1.1 | 177.1 | 72.1 | -73.1 | 0 | 0 | 0 | 114.2 | E208 Y320 L321 L324 W331 | E208-H210 PolarHBondContact O-N 3Å; E208-H210 IonicContact OE2-CE1 2.75Å; E208-H210 PolarHBondContact OE2-CE1 2.84Å; E208-H210 IonicContact OE2-ND1 3.77Å; E208-H210 IonicContact OE2-NE2 3.62Å; H210-Y320 AromaticContact CD2-CD1 3.64Å; H210-Y320 AromaticContact NE2-CD1 3.77Å; H210-Y320 AromaticContact NE2-CE1 3.96Å; H210-Y320 CarbonylContact O-C 3.54Å; H210-Y320 WeakPolarHBondContact O-CA 3.42Å; H210-L321 HydrophobicContact CB-CB 4.38Å; H210-L321 PolarHBondContact O-N 3Å; H210-L324 HydrophobicContact CB-CB 3.85Å; H210-L324 HydrophobicContact CB-CD1 4.14Å; H210-W331 HydrophobicContact CB-CZ2 4.21Å; H210-W331 AromaticContact CE1-NE1 3.56Å; H210-W331 AromaticContact CG-CZ2 3.99Å; H210-W331 AromaticContact ND1-CE2 3.52Å; H210-W331 AromaticContact ND1-CZ2 3.34Å; H210-W331 VanDerWaalsContact ND1-CZ2 3.34Å; H210-W331 WeakPolarHBondContact ND1-CZ2 3.49Å; H210-W331 AromaticContact ND1-NE1 3.24Å; H210-W331 PolarHBondContact ND1-NE1 3.1Å |
| 211 | V | 87.3 | Confident | 79.6 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.2 | -174.9 | -172 | 0 | 0 | 0 | 0 | 110.9 | F207 E208 F319 Y320 | F207-V211 HydrophobicContact CB-CB 4.19Å; F207-V211 HydrophobicContact CB-CG1 4.11Å; F207-V211 HydrophobicContact CD2-CG1 4.22Å; F207-V211 PolarHBondContact N-O 3.15Å; E208-V211 HydrophobicContact CB-CB 4.12Å; E208-V211 HydrophobicContact CB-CG2 4.05Å; E208-V211 PolarHBondContact N-O 3.01Å; E208-V211 PolarHBondContact O-N 3.22Å; V211-F319 WeakPolarHBondContact CA-O 3.23Å; V211-Y320 HydrophobicContact CB-CE1 4.44Å; V211-Y320 HydrophobicContact CG1-CE1 4.32Å; V211-Y320 HydrophobicContact CG1-CE2 4.11Å; V211-Y320 HydrophobicContact CG2-CD1 3.52Å; V211-Y320 HydrophobicContact CG2-CE1 3.29Å; V211-Y320 HydrophobicContact CG2-CE2 4.46Å; V211-Y320 HydrophobicContact CG2-CG 4.2Å |
| 212 | F | 87.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153 | -171.4 | -59.9 | -94.3 | 0 | 0 | 0 | 111.9 | I203 V206 P209 I318 F319 L321 V339 C343 W381 | I203-F212 HydrophobicContact CD1-CB 4.32Å; I203-F212 HydrophobicContact CD1-CD1 4.19Å; I203-F212 HydrophobicContact CD1-CG 4.43Å; I203-F212 HydrophobicContact CG2-CD1 3.76Å; V206-F212 HydrophobicContact CG1-CD1 4.48Å; V206-F212 HydrophobicContact CG1-CE1 4.13Å; V206-F212 HydrophobicContact CG2-CD1 3.96Å; V206-F212 HydrophobicContact CG2-CE1 3.85Å; P209-F212 WeakPolarHBondContact O-CE2 3.42Å; P209-F212 VanDerWaalsContact O-CZ 3.29Å; P209-F212 WeakPolarHBondContact O-CZ 3.14Å; F212-I318 WeakPolarHBondContact O-CA 3.22Å; F212-F319 HydrophobicContact CB-CD1 4.3Å; F212-F319 HydrophobicContact CB-CD2 4.13Å; F212-F319 HydrophobicContact CB-CE1 3.85Å; F212-F319 HydrophobicContact CB-CE2 3.63Å; F212-F319 HydrophobicContact CB-CG 4.44Å; F212-F319 HydrophobicContact CB-CZ 3.48Å; F212-F319 VanDerWaalsContact CB-CZ 3.48Å; F212-F319 HydrophobicContact CD2-CD2 4.01Å; F212-F319 AromaticContact CD2-CE2 3.4Å; F212-F319 HydrophobicContact CD2-CE2 3.4Å; F212-F319 HydrophobicContact CD2-CZ 4.01Å; F212-F319 HydrophobicContact CE2-CE2 4.31Å; F212-F319 HydrophobicContact CG-CD2 4.45Å; F212-F319 AromaticContact CG-CE2 3.69Å; F212-F319 HydrophobicContact CG-CE2 3.69Å; F212-F319 AromaticContact CG-CZ 3.81Å; F212-F319 HydrophobicContact CG-CZ 3.81Å; F212-F319 PolarHBondContact N-O 3.33Å; F212-F319 PolarHBondContact O-N 3.43Å; F212-L321 HydrophobicContact CD2-CD1 4.37Å; F212-L321 HydrophobicContact CD2-CG 4.18Å; F212-L321 HydrophobicContact CE2-CD1 3.45Å; F212-L321 VanDerWaalsContact CE2-CD1 3.45Å; F212-L321 HydrophobicContact CE2-CD2 4.47Å; F212-L321 HydrophobicContact CE2-CG 3.69Å; F212-L321 HydrophobicContact CZ-CD1 4.03Å; F212-V339 HydrophobicContact CE1-CG1 3.43Å; F212-V339 VanDerWaalsContact CE1-CG1 3.43Å; F212-V339 HydrophobicContact CZ-CG1 3.42Å; F212-V339 VanDerWaalsContact CZ-CG1 3.42Å; F212-C343 HydrophobicContact CE1-CB 4.02Å; F212-W381 AromaticContact CZ-CH2 3.84Å; F212-W381 HydrophobicContact CZ-CH2 3.84Å; F212-W381 HydrophobicContact CZ-CZ3 4.31Å |
| 213 | L | 83.9 | Confident | 77.9 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.7 | 159.5 | -163.7 | 68.3 | 0 | 0 | 0 | 108.1 | T204 K205 F207 F316 L317 I318 | T204-L213 PolarHBondContact N-O 2.93Å; T204-L213 PolarHBondContact OG1-O 3.34Å; K205-L213 HydrophobicContact CB-CB 3.9Å; K205-L213 HydrophobicContact CB-CD2 4.41Å; K205-L213 PolarHBondContact N-O 2.97Å; K205-L213 PolarHBondContact O-N 3Å; F207-L213 HydrophobicContact CE2-CB 3.84Å; F207-L213 HydrophobicContact CE2-CD1 4.42Å; L213-F316 HydrophobicContact CD1-CB 3.41Å; L213-F316 VanDerWaalsContact CD1-CB 3.41Å; L213-F316 HydrophobicContact CD1-CG 3.97Å; L213-F316 HydrophobicContact CD2-CB 4.41Å; L213-F316 HydrophobicContact CD2-CD1 4.1Å; L213-F316 HydrophobicContact CD2-CG 4.12Å; L213-F316 HydrophobicContact CG-CB 3.73Å; L213-F316 HydrophobicContact CG-CD1 4.03Å; L213-F316 HydrophobicContact CG-CG 3.95Å; L213-L317 WeakPolarHBondContact CA-O 3.35Å; L213-I318 HydrophobicContact CD1-CD1 4.44Å; L213-I318 HydrophobicContact CD1-CG1 3.56Å |
| 214 | A | 81 | Confident | 77.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 148.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V201 R202 I203 F316 L317 F319 | V201-A214 HydrophobicContact CB-CB 3.9Å; V201-A214 HydrophobicContact CG2-CB 4.06Å; R202-A214 CarbonylContact O-C 3.54Å; R202-A214 WeakPolarHBondContact O-CA 3.37Å; R202-A214 WeakPolarHBondContact O-CB 3.47Å; I203-A214 HydrophobicContact CD1-CB 3.78Å; A214-F316 CarbonylContact O-C 3.6Å; A214-F316 WeakPolarHBondContact O-CA 3.37Å; A214-L317 PolarHBondContact N-O 3.1Å; A214-L317 PolarHBondContact O-N 3.34Å; A214-F319 HydrophobicContact CB-CD1 4.27Å; A214-F319 HydrophobicContact CB-CE1 3.53Å; A214-F319 HydrophobicContact CB-CZ 4.46Å |
| 215 | T | 78 | Confident | 76.6 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 116.9 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 110 | V201 R202 L217 W219 L220 S315 F316 | V201-T215 CarbonylContact C-O 3.55Å; R202-T215 PolarHBondContact N-O 3.46Å; R202-T215 PolarHBondContact O-N 3.29Å; T215-L217 PolarHBondContact O-N 3.44Å; T215-W219 HydrophobicContact CG2-CB 4.32Å; T215-W219 HydrophobicContact CG2-CE3 4.47Å; T215-L220 HydrophobicContact CG2-CD2 3.64Å; T215-L220 HydrophobicContact CG2-CG 4.05Å; T215-S315 WeakPolarHBondContact CG2-O 3.46Å; T215-S315 PolarHBondContact OG1-O 3Å; T215-S315 VanDerWaalsContact OG1-O 3.09Å; T215-F316 VanDerWaalsContact OG1-CD1 3.22Å; T215-F316 WeakPolarHBondContact OG1-CD1 3.4Å |
| 216 | P | 76.3 | Confident | 76.3 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.6 | 131.2 | 168.4 | -32.7 | 34.2 | 0 | 0 | 0 | 113.6 | L199 M200 V201 Q218 W219 L220 L317 | L199-P216 HydrophobicContact CD1-CB 3.82Å; L199-P216 HydrophobicContact CD1-CG 3.51Å; M200-P216 WeakPolarHBondContact O-CA 3.36Å; V201-P216 HydrophobicContact CG1-CG 4.25Å; P216-Q218 PolarHBondContact O-N 2.91Å; P216-Q218 VanDerWaalsContact O-N 3.17Å; P216-W219 HydrophobicContact CB-CD2 3.66Å; P216-W219 HydrophobicContact CB-CE3 3.74Å; P216-W219 HydrophobicContact CB-CG 4.08Å; P216-W219 HydrophobicContact CB-CH2 4.44Å; P216-W219 HydrophobicContact CB-CZ2 4.32Å; P216-W219 HydrophobicContact CB-CZ3 4.13Å; P216-W219 HydrophobicContact CG-CD2 3.79Å; P216-W219 HydrophobicContact CG-CE3 3.4Å; P216-W219 VanDerWaalsContact CG-CE3 3.4Å; P216-W219 HydrophobicContact CG-CH2 3.6Å; P216-W219 HydrophobicContact CG-CZ2 3.9Å; P216-W219 HydrophobicContact CG-CZ3 3.29Å; P216-W219 WeakPolarHBondContact O-CB 3.09Å; P216-W219 PolarHBondContact O-N 2.87Å; P216-L220 PolarHBondContact O-N 3.41Å; P216-L317 HydrophobicContact CG-CD1 3.7Å; P216-L317 HydrophobicContact CG-CG 4.01Å |
| 217 | L | 71.4 | Confident | 76 | Confident | 41 Ų | 41 | 50 Ų | 50 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -29.1 | -174.2 | -60.6 | -172.5 | 0 | 0 | 0 | 113.4 | M200 R202 T215 W219 L220 D347 | M200-L217 HydrophobicContact CB-CB 4.35Å; M200-L217 HydrophobicContact CB-CD1 3.54Å; M200-L217 HydrophobicContact CB-CG 3.8Å; M200-L217 HydrophobicContact CE-CD1 4.28Å; M200-L217 HydrophobicContact CG-CD1 4.38Å; M200-L217 PolarHBondContact O-N 3.37Å; R202-L217 HydrophobicContact CB-CD2 3.89Å; T215-L217 PolarHBondContact O-N 3.44Å; L217-W219 PolarHBondContact O-N 3.05Å; L217-L220 HydrophobicContact CD2-CD1 3.58Å; L217-L220 WeakPolarHBondContact O-CB 3.39Å; L217-L220 PolarHBondContact O-N 2.85Å; L217-D347 HydrophobicContact CD1-CB 3.99Å; L217-D347 HydrophobicContact CD2-CB 4.31Å; L217-D347 VanDerWaalsContact CD2-OD1 3.3Å; L217-D347 WeakPolarHBondContact CD2-OD1 3.35Å |
| 218 | Q | 67.2 | Low | 75.9 | Confident | 157 Ų | 157 | 51.4 Ų | 51.4 | 73% | 0.734 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.9 | -32.9 | 176.2 | -65.6 | -179 | -2 | 0 | 0 | 111.6 | P216 | P216-Q218 PolarHBondContact O-N 2.91Å; P216-Q218 VanDerWaalsContact O-N 3.17Å |
| 219 | W | 66.7 | Low | 75.7 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.9 | -31.9 | 178.8 | -58.1 | -16.4 | 0 | 0 | 0 | 112.1 | T215 P216 L217 K221 Q222 F223 W310 N312 D314 L317 | T215-W219 HydrophobicContact CG2-CB 4.32Å; T215-W219 HydrophobicContact CG2-CE3 4.47Å; P216-W219 HydrophobicContact CB-CD2 3.66Å; P216-W219 HydrophobicContact CB-CE3 3.74Å; P216-W219 HydrophobicContact CB-CG 4.08Å; P216-W219 HydrophobicContact CB-CH2 4.44Å; P216-W219 HydrophobicContact CB-CZ2 4.32Å; P216-W219 HydrophobicContact CB-CZ3 4.13Å; P216-W219 HydrophobicContact CG-CD2 3.79Å; P216-W219 HydrophobicContact CG-CE3 3.4Å; P216-W219 VanDerWaalsContact CG-CE3 3.4Å; P216-W219 HydrophobicContact CG-CH2 3.6Å; P216-W219 HydrophobicContact CG-CZ2 3.9Å; P216-W219 HydrophobicContact CG-CZ3 3.29Å; P216-W219 WeakPolarHBondContact O-CB 3.09Å; P216-W219 PolarHBondContact O-N 2.87Å; L217-W219 PolarHBondContact O-N 3.05Å; W219-K221 VanDerWaalsContact C-N 3.27Å; W219-K221 PolarHBondContact O-N 2.81Å; W219-Q222 PolarHBondContact O-N 2.92Å; W219-F223 WeakPolarHBondContact O-CB 3.49Å; W219-F223 PolarHBondContact O-N 3.09Å; W219-W310 HydrophobicContact CB-CE3 4.2Å; W219-W310 HydrophobicContact CB-CH2 3.72Å; W219-W310 HydrophobicContact CB-CZ3 3.34Å; W219-W310 AromaticContact CD2-CE3 3.85Å; W219-W310 HydrophobicContact CD2-CE3 3.85Å; W219-W310 AromaticContact CD2-CZ3 3.46Å; W219-W310 HydrophobicContact CD2-CZ3 3.46Å; W219-W310 VanDerWaalsContact CD2-CZ3 3.46Å; W219-W310 HydrophobicContact CE3-CE3 4.07Å; W219-W310 AromaticContact CE3-CZ3 3.47Å; W219-W310 HydrophobicContact CE3-CZ3 3.47Å; W219-W310 VanDerWaalsContact CE3-CZ3 3.47Å; W219-W310 AromaticContact CG-CE3 3.92Å; W219-W310 HydrophobicContact CG-CE3 3.92Å; W219-W310 HydrophobicContact CG-CH2 4.31Å; W219-W310 AromaticContact CG-CZ3 3.44Å; W219-W310 HydrophobicContact CG-CZ3 3.44Å; W219-W310 VanDerWaalsContact CG-CZ3 3.44Å; W219-W310 HydrophobicContact CZ3-CZ3 4.41Å; W219-N312 HydrophobicContact CH2-CB 4.11Å; W219-N312 HydrophobicContact CZ2-CB 3.3Å; W219-D314 VanDerWaalsContact CE3-O 3.29Å; W219-D314 WeakPolarHBondContact CH2-O 3.47Å; W219-D314 WeakPolarHBondContact CZ3-O 3.27Å; W219-L317 HydrophobicContact CH2-CD2 4Å; W219-L317 HydrophobicContact CH2-CG 4.42Å; W219-L317 HydrophobicContact CZ3-CD2 4.4Å; W219-L317 HydrophobicContact CZ3-CG 4.42Å |
| 220 | L | 63.2 | Low | 76 | Confident | 44 Ų | 44 | 49.1 Ų | 49.1 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -33.4 | 175.8 | -63.5 | 177.9 | 0 | 0 | 0 | 113 | R202 T215 P216 L217 F223 L224 | R202-L220 HydrophobicContact CB-CD1 4.15Å; T215-L220 HydrophobicContact CG2-CD2 3.64Å; T215-L220 HydrophobicContact CG2-CG 4.05Å; P216-L220 PolarHBondContact O-N 3.41Å; L217-L220 HydrophobicContact CD2-CD1 3.58Å; L217-L220 WeakPolarHBondContact O-CB 3.39Å; L217-L220 PolarHBondContact O-N 2.85Å; L220-F223 WeakPolarHBondContact O-CB 3.41Å; L220-F223 PolarHBondContact O-N 2.88Å; L220-L224 PolarHBondContact O-N 3.09Å |
| 221 | K | 63.2 | Low | 76.2 | Confident | 168 Ų | 168 | 52.1 Ų | 52.1 | 73% | 0.73 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -66.1 | -41.2 | 177.1 | -72.6 | -174.9 | 179 | 179.1 | 0 | 112.6 | W219 F223 | W219-K221 VanDerWaalsContact C-N 3.27Å; W219-K221 PolarHBondContact O-N 2.81Å; K221-F223 VanDerWaalsContact C-N 3.33Å |
| 222 | Q | 62.5 | Low | 76.3 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.6 | -34.3 | 178.1 | -63.4 | 179.1 | -1.2 | 0 | 0 | 110.9 | W219 L224 Q225 F226 | W219-Q222 PolarHBondContact O-N 2.92Å; Q222-L224 VanDerWaalsContact C-N 3.3Å; Q222-L224 PolarHBondContact O-N 2.63Å; Q222-Q225 PolarHBondContact O-N 3.01Å; Q222-F226 PolarHBondContact O-N 3Å; Q222-F226 VanDerWaalsContact O-N 3.1Å |
| 223 | F | 67.2 | Low | 76.4 | Confident | 34 Ų | 34 | 59.4 Ų | 59.4 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -37.7 | 175.2 | 178 | -108.5 | 0 | 0 | 0 | 113.4 | W219 L220 K221 Q225 F226 R227 D283 | W219-F223 WeakPolarHBondContact O-CB 3.49Å; W219-F223 PolarHBondContact O-N 3.09Å; L220-F223 WeakPolarHBondContact O-CB 3.41Å; L220-F223 PolarHBondContact O-N 2.88Å; K221-F223 VanDerWaalsContact C-N 3.33Å; F223-Q225 PolarHBondContact O-N 3.23Å; F223-F226 HydrophobicContact CD2-CD1 4.47Å; F223-F226 WeakPolarHBondContact O-CB 3.4Å; F223-F226 PolarHBondContact O-N 3.13Å; F223-R227 HydrophobicContact CD1-CG 4.12Å; F223-R227 HydrophobicContact CD2-CG 4.19Å; F223-R227 HydrophobicContact CE1-CG 3.79Å; F223-R227 HydrophobicContact CE2-CG 3.82Å; F223-R227 HydrophobicContact CG-CG 4.35Å; F223-R227 HydrophobicContact CZ-CG 3.69Å; F223-R227 WeakPolarHBondContact O-CB 3.42Å; F223-R227 VanDerWaalsContact O-CG 3.27Å; F223-R227 WeakPolarHBondContact O-CG 3.49Å; F223-R227 PolarHBondContact O-N 3.24Å; F223-D283 HydrophobicContact CD2-CB 4.01Å; F223-D283 HydrophobicContact CE2-CB 3.2Å; F223-D283 WeakPolarHBondContact CE2-OD2 3.45Å; F223-D283 HydrophobicContact CZ-CB 3.78Å |
| 224 | L | 69.7 | Low | 76.8 | Confident | 112 Ų | 112 | 58.8 Ų | 58.8 | 59% | 0.586 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 176.3 | -70.5 | 173 | 0 | 0 | 0 | 112.8 | L220 Q222 R227 Q228 | L220-L224 PolarHBondContact O-N 3.09Å; Q222-L224 VanDerWaalsContact C-N 3.3Å; Q222-L224 PolarHBondContact O-N 2.63Å; L224-R227 PolarHBondContact O-N 3.24Å; L224-Q228 WeakPolarHBondContact O-CG 3.47Å; L224-Q228 PolarHBondContact O-N 3.07Å; L224-Q228 VanDerWaalsContact O-N 3.1Å |
| 225 | Q | 72.1 | Confident | 77.1 | Confident | 140 Ų | 140 | 62.5 Ų | 62.5 | 65% | 0.654 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 177.2 | -67.4 | -180 | -18.1 | 0 | 0 | 111.2 | Q222 F223 R227 Q228 A229 | Q222-Q225 PolarHBondContact O-N 3.01Å; F223-Q225 PolarHBondContact O-N 3.23Å; Q225-R227 VanDerWaalsContact C-N 3.33Å; Q225-R227 PolarHBondContact O-N 3.1Å; Q225-Q228 PolarHBondContact O-N 3.28Å; Q225-A229 PolarHBondContact O-N 2.95Å |
| 226 | F | 77.2 | Confident | 77.5 | Confident | 12 Ų | 12 | 69.8 Ų | 69.8 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.7 | -46.9 | 172.9 | 171.2 | -92.6 | 0 | 0 | 0 | 111.2 | Q222 F223 Q228 A229 F230 R264 F302 W307 | Q222-F226 PolarHBondContact O-N 3Å; Q222-F226 VanDerWaalsContact O-N 3.1Å; F223-F226 HydrophobicContact CD2-CD1 4.47Å; F223-F226 WeakPolarHBondContact O-CB 3.4Å; F223-F226 PolarHBondContact O-N 3.13Å; F226-Q228 PolarHBondContact O-N 3.25Å; F226-A229 PolarHBondContact O-N 2.84Å; F226-F230 HydrophobicContact CE1-CB 4.17Å; F226-F230 HydrophobicContact CE1-CD2 4.26Å; F226-F230 HydrophobicContact CE1-CG 4.15Å; F226-F230 HydrophobicContact CZ-CB 4.33Å; F226-F230 AromaticContact CZ-CD2 3.79Å; F226-F230 HydrophobicContact CZ-CD2 3.79Å; F226-F230 HydrophobicContact CZ-CE2 4.31Å; F226-F230 HydrophobicContact CZ-CG 4.15Å; F226-F230 VanDerWaalsContact O-CB 3.29Å; F226-F230 WeakPolarHBondContact O-CB 3.41Å; F226-F230 PolarHBondContact O-N 3.37Å; F226-R264 HydrophobicContact CE1-CG 4.19Å; F226-R264 HydrophobicContact CZ-CG 3.99Å; F226-F302 AromaticContact CE2-CD1 3.75Å; F226-F302 HydrophobicContact CE2-CD1 3.75Å; F226-F302 HydrophobicContact CZ-CD1 4.14Å; F226-W307 HydrophobicContact CD2-CB 4.02Å; F226-W307 HydrophobicContact CD2-CE3 4.08Å; F226-W307 HydrophobicContact CE2-CB 4.03Å |
| 227 | R | 79.3 | Confident | 77.9 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | -178.2 | -78 | -73 | 166.3 | 130.7 | 1.6 | 112.9 | F223 L224 Q225 F230 E231 W262 H263 D283 E284 | F223-R227 HydrophobicContact CD1-CG 4.12Å; F223-R227 HydrophobicContact CD2-CG 4.19Å; F223-R227 HydrophobicContact CE1-CG 3.79Å; F223-R227 HydrophobicContact CE2-CG 3.82Å; F223-R227 HydrophobicContact CG-CG 4.35Å; F223-R227 HydrophobicContact CZ-CG 3.69Å; F223-R227 WeakPolarHBondContact O-CB 3.42Å; F223-R227 VanDerWaalsContact O-CG 3.27Å; F223-R227 WeakPolarHBondContact O-CG 3.49Å; F223-R227 PolarHBondContact O-N 3.24Å; L224-R227 PolarHBondContact O-N 3.24Å; Q225-R227 VanDerWaalsContact C-N 3.33Å; Q225-R227 PolarHBondContact O-N 3.1Å; R227-F230 PolarHBondContact O-N 3.3Å; R227-E231 WeakPolarHBondContact O-CB 3.15Å; R227-E231 PolarHBondContact O-N 2.89Å; R227-W262 VanDerWaalsContact CD-O 3.29Å; R227-W262 WeakPolarHBondContact CD-O 3.42Å; R227-W262 VanDerWaalsContact CZ-O 3.24Å; R227-W262 PolarHBondContact NE-O 2.85Å; R227-W262 PolarHBondContact NH1-O 3.09Å; R227-H263 PolarHBondContact NH1-CE1 3.27Å; R227-H263 VanDerWaalsContact NH1-CE1 3.25Å; R227-H263 PolarHBondContact NH1-ND1 3.22Å; R227-D283 IonicContact CZ-OD2 3.03Å; R227-D283 IonicContact NE-OD2 2.69Å; R227-D283 IonicContact NH2-OD2 3.32Å; R227-D283 PolarHBondContact NH2-OD2 3.46Å; R227-E284 IonicContact CZ-OE1 3.06Å; R227-E284 IonicContact NH1-OE1 3.72Å; R227-E284 PolarHBondContact NH1-OE1 2.91Å; R227-E284 IonicContact NH2-OE1 2.78Å; R227-E284 PolarHBondContact NH2-OE1 3.33Å; R227-E284 IonicContact NH2-OE2 3.01Å; R227-E284 PolarHBondContact NH2-OE2 3.43Å |
| 228 | Q | 82.4 | Confident | 78.5 | Confident | 122 Ų | 122 | 72.1 Ų | 72.1 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.9 | -46 | 174.1 | -71.6 | 174.8 | -11 | 0 | 0 | 112.1 | L224 Q225 F226 F230 E231 I232 | L224-Q228 WeakPolarHBondContact O-CG 3.47Å; L224-Q228 PolarHBondContact O-N 3.07Å; L224-Q228 VanDerWaalsContact O-N 3.1Å; Q225-Q228 PolarHBondContact O-N 3.28Å; F226-Q228 PolarHBondContact O-N 3.25Å; Q228-F230 VanDerWaalsContact C-N 3.32Å; Q228-F230 PolarHBondContact O-N 2.97Å; Q228-E231 PolarHBondContact O-N 3.44Å; Q228-I232 WeakPolarHBondContact O-CD1 3.3Å; Q228-I232 VanDerWaalsContact O-CG1 3.26Å; Q228-I232 WeakPolarHBondContact O-CG1 3.35Å; Q228-I232 PolarHBondContact O-N 2.75Å; Q228-I232 VanDerWaalsContact O-N 3.09Å |
| 229 | A | 84.5 | Confident | 79.1 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q225 F226 F233 W307 | Q225-A229 PolarHBondContact O-N 2.95Å; F226-A229 PolarHBondContact O-N 2.84Å; A229-F233 WeakPolarHBondContact O-CB 3.48Å; A229-F233 PolarHBondContact O-N 3.43Å; A229-F233 VanDerWaalsContact O-N 3.12Å; A229-W307 HydrophobicContact CB-CE3 4.48Å; A229-W307 HydrophobicContact CB-CH2 3.64Å; A229-W307 HydrophobicContact CB-CZ3 3.52Å |
| 230 | F | 89.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 178.4 | -163.7 | -111.8 | 0 | 0 | 0 | 111.7 | F226 R227 Q228 F233 Y234 A255 W262 H263 R264 L298 F302 | F226-F230 HydrophobicContact CE1-CB 4.17Å; F226-F230 HydrophobicContact CE1-CD2 4.26Å; F226-F230 HydrophobicContact CE1-CG 4.15Å; F226-F230 HydrophobicContact CZ-CB 4.33Å; F226-F230 AromaticContact CZ-CD2 3.79Å; F226-F230 HydrophobicContact CZ-CD2 3.79Å; F226-F230 HydrophobicContact CZ-CE2 4.31Å; F226-F230 HydrophobicContact CZ-CG 4.15Å; F226-F230 VanDerWaalsContact O-CB 3.29Å; F226-F230 WeakPolarHBondContact O-CB 3.41Å; F226-F230 PolarHBondContact O-N 3.37Å; R227-F230 PolarHBondContact O-N 3.3Å; Q228-F230 VanDerWaalsContact C-N 3.32Å; Q228-F230 PolarHBondContact O-N 2.97Å; F230-F233 PolarHBondContact O-N 2.86Å; F230-Y234 HydrophobicContact CD1-CD2 4.29Å; F230-Y234 AromaticContact CD2-CD2 3.91Å; F230-Y234 HydrophobicContact CD2-CD2 3.91Å; F230-Y234 AromaticContact CD2-CE2 3.83Å; F230-Y234 HydrophobicContact CD2-CE2 3.83Å; F230-Y234 HydrophobicContact CE1-CD2 4.06Å; F230-Y234 HydrophobicContact CE1-CE2 4.25Å; F230-Y234 AromaticContact CE2-CD2 3.71Å; F230-Y234 HydrophobicContact CE2-CD2 3.71Å; F230-Y234 AromaticContact CE2-CE2 3.25Å; F230-Y234 HydrophobicContact CE2-CE2 3.25Å; F230-Y234 HydrophobicContact CG-CD2 4.21Å; F230-Y234 AromaticContact CZ-CD2 3.78Å; F230-Y234 HydrophobicContact CZ-CD2 3.78Å; F230-Y234 AromaticContact CZ-CE2 3.49Å; F230-Y234 HydrophobicContact CZ-CE2 3.49Å; F230-Y234 VanDerWaalsContact CZ-CE2 3.49Å; F230-Y234 WeakPolarHBondContact O-CD2 3.27Å; F230-Y234 PolarHBondContact O-N 2.71Å; F230-A255 HydrophobicContact CE1-CB 4.2Å; F230-A255 HydrophobicContact CZ-CB 3.59Å; F230-W262 HydrophobicContact CD1-CB 3.49Å; F230-W262 VanDerWaalsContact CD1-CB 3.49Å; F230-W262 HydrophobicContact CE1-CB 3.79Å; F230-H263 WeakPolarHBondContact CE1-O 3.2Å; F230-R264 HydrophobicContact CE1-CG 4.41Å; F230-R264 HydrophobicContact CE2-CG 4.02Å; F230-R264 HydrophobicContact CZ-CG 3.84Å; F230-L298 HydrophobicContact CE2-CD1 3.75Å; F230-L298 HydrophobicContact CZ-CD1 3.92Å; F230-F302 HydrophobicContact CD2-CB 4.23Å; F230-F302 AromaticContact CD2-CD1 3.6Å; F230-F302 HydrophobicContact CD2-CD1 3.6Å; F230-F302 AromaticContact CD2-CD2 3.95Å; F230-F302 HydrophobicContact CD2-CD2 3.95Å; F230-F302 AromaticContact CD2-CE1 3.82Å; F230-F302 HydrophobicContact CD2-CE1 3.82Å; F230-F302 HydrophobicContact CD2-CE2 4.19Å; F230-F302 AromaticContact CD2-CG 3.65Å; F230-F302 HydrophobicContact CD2-CG 3.65Å; F230-F302 HydrophobicContact CD2-CZ 4.11Å; F230-F302 HydrophobicContact CE2-CB 3.94Å; F230-F302 HydrophobicContact CE2-CD1 4.17Å; F230-F302 AromaticContact CE2-CD2 3.91Å; F230-F302 HydrophobicContact CE2-CD2 3.91Å; F230-F302 HydrophobicContact CE2-CE2 4.47Å; F230-F302 AromaticContact CE2-CG 3.74Å; F230-F302 HydrophobicContact CE2-CG 3.74Å |
| 231 | E | 90.4 | Very high | 80.7 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -53.7 | 175.5 | 176.7 | 177.1 | -162.8 | 0 | 0 | 111.8 | R227 Q228 F233 Y234 D235 | R227-E231 WeakPolarHBondContact O-CB 3.15Å; R227-E231 PolarHBondContact O-N 2.89Å; Q228-E231 PolarHBondContact O-N 3.44Å; E231-F233 PolarHBondContact O-N 3.39Å; E231-Y234 PolarHBondContact O-N 3.25Å; E231-D235 WeakPolarHBondContact O-CB 3.38Å; E231-D235 PolarHBondContact O-N 2.86Å |
| 232 | I | 88.8 | Confident | 81.6 | Confident | 128 Ų | 128 | 61.6 Ų | 61.6 | 66% | 0.656 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -55 | -42.9 | 179.7 | -68.6 | 166.1 | 0 | 0 | 0 | 111.1 | Q228 | Q228-I232 WeakPolarHBondContact O-CD1 3.3Å; Q228-I232 VanDerWaalsContact O-CG1 3.26Å; Q228-I232 WeakPolarHBondContact O-CG1 3.35Å; Q228-I232 PolarHBondContact O-N 2.75Å; Q228-I232 VanDerWaalsContact O-N 3.09Å |
| 233 | F | 91 | Very high | 82.3 | Confident | 34 Ų | 34 | 58 Ų | 58 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -52 | -179.3 | -178.8 | -87.5 | 0 | 0 | 0 | 112.1 | F175 A229 F230 E231 F236 Y237 L241 V299 F302 | F175-F233 HydrophobicContact CD1-CE2 4.14Å; F175-F233 AromaticContact CD1-CZ 3.83Å; F175-F233 HydrophobicContact CD1-CZ 3.83Å; F175-F233 HydrophobicContact CD2-CZ 4.18Å; F175-F233 AromaticContact CE1-CE2 3.63Å; F175-F233 HydrophobicContact CE1-CE2 3.63Å; F175-F233 AromaticContact CE1-CZ 3.74Å; F175-F233 HydrophobicContact CE1-CZ 3.74Å; F175-F233 HydrophobicContact CE2-CE2 4.47Å; F175-F233 HydrophobicContact CE2-CZ 4.1Å; F175-F233 HydrophobicContact CG-CZ 4.05Å; F175-F233 AromaticContact CZ-CE2 3.82Å; F175-F233 HydrophobicContact CZ-CE2 3.82Å; F175-F233 AromaticContact CZ-CZ 3.87Å; F175-F233 HydrophobicContact CZ-CZ 3.87Å; A229-F233 WeakPolarHBondContact O-CB 3.48Å; A229-F233 PolarHBondContact O-N 3.43Å; A229-F233 VanDerWaalsContact O-N 3.12Å; F230-F233 PolarHBondContact O-N 2.86Å; E231-F233 PolarHBondContact O-N 3.39Å; F233-F236 PolarHBondContact O-N 3.36Å; F233-Y237 HydrophobicContact CD1-CD2 4.43Å; F233-Y237 AromaticContact CD2-CD2 3.74Å; F233-Y237 HydrophobicContact CD2-CD2 3.74Å; F233-Y237 HydrophobicContact CD2-CE2 4.06Å; F233-Y237 HydrophobicContact CE1-CD2 4.35Å; F233-Y237 AromaticContact CE2-CD2 3.61Å; F233-Y237 HydrophobicContact CE2-CD2 3.61Å; F233-Y237 AromaticContact CE2-CE2 3.94Å; F233-Y237 HydrophobicContact CE2-CE2 3.94Å; F233-Y237 HydrophobicContact CE2-CG 4.42Å; F233-Y237 HydrophobicContact CG-CD2 4.15Å; F233-Y237 AromaticContact CZ-CD2 3.94Å; F233-Y237 HydrophobicContact CZ-CD2 3.94Å; F233-Y237 HydrophobicContact CZ-CG 4.35Å; F233-Y237 WeakPolarHBondContact O-CD2 3.29Å; F233-Y237 PolarHBondContact O-N 3.33Å; F233-L241 HydrophobicContact CD1-CD1 4.47Å; F233-L241 HydrophobicContact CE1-CD1 3.6Å; F233-L241 HydrophobicContact CZ-CD1 4.33Å; F233-V299 HydrophobicContact CE1-CB 4.4Å; F233-V299 HydrophobicContact CE1-CG2 3.68Å; F233-V299 HydrophobicContact CZ-CG2 3.87Å; F233-F302 HydrophobicContact CB-CE2 4.12Å; F233-F302 HydrophobicContact CB-CZ 3.74Å; F233-F302 HydrophobicContact CD1-CD2 4.49Å; F233-F302 AromaticContact CD1-CE2 3.42Å; F233-F302 HydrophobicContact CD1-CE2 3.42Å; F233-F302 VanDerWaalsContact CD1-CE2 3.42Å; F233-F302 AromaticContact CD1-CZ 3.96Å; F233-F302 HydrophobicContact CD1-CZ 3.96Å; F233-F302 HydrophobicContact CD2-CE2 4.16Å; F233-F302 HydrophobicContact CD2-CZ 4.21Å; F233-F302 AromaticContact CE1-CE2 3.77Å; F233-F302 HydrophobicContact CE1-CE2 3.77Å; F233-F302 HydrophobicContact CE2-CE2 4.47Å; F233-F302 AromaticContact CG-CE2 3.63Å; F233-F302 HydrophobicContact CG-CE2 3.63Å; F233-F302 AromaticContact CG-CZ 3.7Å; F233-F302 HydrophobicContact CG-CZ 3.7Å; F233-F302 HydrophobicContact CZ-CE2 4.3Å |
| 234 | Y | 91.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.2 | -33.3 | -174.9 | -89.1 | -86.1 | 0 | 0 | 0 | 112.5 | F230 E231 F236 Y237 K238 L241 A255 W262 F296 H297 L298 V299 F302 | F230-Y234 HydrophobicContact CD1-CD2 4.29Å; F230-Y234 AromaticContact CD2-CD2 3.91Å; F230-Y234 HydrophobicContact CD2-CD2 3.91Å; F230-Y234 AromaticContact CD2-CE2 3.83Å; F230-Y234 HydrophobicContact CD2-CE2 3.83Å; F230-Y234 HydrophobicContact CE1-CD2 4.06Å; F230-Y234 HydrophobicContact CE1-CE2 4.25Å; F230-Y234 AromaticContact CE2-CD2 3.71Å; F230-Y234 HydrophobicContact CE2-CD2 3.71Å; F230-Y234 AromaticContact CE2-CE2 3.25Å; F230-Y234 HydrophobicContact CE2-CE2 3.25Å; F230-Y234 HydrophobicContact CG-CD2 4.21Å; F230-Y234 AromaticContact CZ-CD2 3.78Å; F230-Y234 HydrophobicContact CZ-CD2 3.78Å; F230-Y234 AromaticContact CZ-CE2 3.49Å; F230-Y234 HydrophobicContact CZ-CE2 3.49Å; F230-Y234 VanDerWaalsContact CZ-CE2 3.49Å; F230-Y234 WeakPolarHBondContact O-CD2 3.27Å; F230-Y234 PolarHBondContact O-N 2.71Å; E231-Y234 PolarHBondContact O-N 3.25Å; Y234-F236 PolarHBondContact O-N 3.37Å; Y234-Y237 PolarHBondContact O-N 3.04Å; Y234-K238 WeakPolarHBondContact O-CA 3.04Å; Y234-K238 WeakPolarHBondContact O-CB 3.41Å; Y234-K238 WeakPolarHBondContact O-CG 3.44Å; Y234-K238 PolarHBondContact O-N 2.91Å; Y234-L241 HydrophobicContact CD1-CD1 4.11Å; Y234-L241 HydrophobicContact CE1-CB 4.26Å; Y234-L241 HydrophobicContact CE1-CD1 3.59Å; Y234-A255 HydrophobicContact CD1-CB 3.94Å; Y234-A255 HydrophobicContact CD2-CB 4.37Å; Y234-A255 HydrophobicContact CE1-CB 3.32Å; Y234-A255 HydrophobicContact CE2-CB 3.84Å; Y234-A255 HydrophobicContact CG-CB 4.44Å; Y234-W262 HydrophobicContact CD1-CE3 4.09Å; Y234-W262 HydrophobicContact CD1-CH2 4.1Å; Y234-W262 AromaticContact CD1-CZ3 3.71Å; Y234-W262 HydrophobicContact CD1-CZ3 3.71Å; Y234-W262 HydrophobicContact CG-CD2 4.21Å; Y234-W262 AromaticContact CG-CE3 3.9Å; Y234-W262 HydrophobicContact CG-CE3 3.9Å; Y234-W262 HydrophobicContact CG-CH2 4.38Å; Y234-W262 AromaticContact CG-CZ3 3.98Å; Y234-W262 HydrophobicContact CG-CZ3 3.98Å; Y234-F296 HydrophobicContact CE1-CB 4.14Å; Y234-H297 PolarHBondContact OH-O 3.29Å; Y234-L298 VanDerWaalsContact OH-CA 3.25Å; Y234-L298 WeakPolarHBondContact OH-CA 3.19Å; Y234-V299 PolarHBondContact OH-N 3.41Å; Y234-F302 AromaticContact CE2-CD2 3.98Å; Y234-F302 HydrophobicContact CE2-CD2 3.98Å; Y234-F302 HydrophobicContact CE2-CE2 4.01Å |
| 235 | D | 87.2 | Confident | 82.7 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.1 | -33.8 | 174.3 | -81.9 | -12.2 | 0 | 0 | 0 | 112.8 | E231 W262 | E231-D235 WeakPolarHBondContact O-CB 3.38Å; E231-D235 PolarHBondContact O-N 2.86Å; D235-W262 PolarHBondContact OD1-NE1 3.03Å |
| 236 | F | 86.6 | Confident | 82.7 | Confident | 157 Ų | 157 | 59.2 Ų | 59.2 | 69% | 0.689 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -83.4 | -42.8 | 178.8 | -165.2 | -90.6 | 0 | 0 | 0 | 113 | F233 Y234 | F233-F236 PolarHBondContact O-N 3.36Å; Y234-F236 PolarHBondContact O-N 3.37Å |
| 237 | Y | 85.4 | Confident | 82.7 | Confident | 66 Ų | 66 | 62 Ų | 62 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -104.2 | -2.3 | -169.8 | -66.1 | -71.8 | 0 | 0 | 0 | 115.4 | F175 F233 Y234 E239 Q240 L241 | F175-Y237 AromaticContact CE2-CD1 3.41Å; F175-Y237 HydrophobicContact CE2-CD1 3.41Å; F175-Y237 VanDerWaalsContact CE2-CD1 3.41Å; F175-Y237 HydrophobicContact CE2-CD2 4.21Å; F175-Y237 AromaticContact CE2-CE1 3.67Å; F175-Y237 HydrophobicContact CE2-CE1 3.67Å; F175-Y237 HydrophobicContact CE2-CE2 4.44Å; F175-Y237 AromaticContact CE2-CG 3.69Å; F175-Y237 HydrophobicContact CE2-CG 3.69Å; F175-Y237 AromaticContact CZ-CD1 3.79Å; F175-Y237 HydrophobicContact CZ-CD1 3.79Å; F175-Y237 HydrophobicContact CZ-CD2 4.02Å; F175-Y237 AromaticContact CZ-CE1 3.62Å; F175-Y237 HydrophobicContact CZ-CE1 3.62Å; F175-Y237 AromaticContact CZ-CE2 3.89Å; F175-Y237 HydrophobicContact CZ-CE2 3.89Å; F175-Y237 AromaticContact CZ-CG 3.98Å; F175-Y237 HydrophobicContact CZ-CG 3.98Å; F175-Y237 AromaticContact CZ-CZ 3.68Å; F233-Y237 HydrophobicContact CD1-CD2 4.43Å; F233-Y237 AromaticContact CD2-CD2 3.74Å; F233-Y237 HydrophobicContact CD2-CD2 3.74Å; F233-Y237 HydrophobicContact CD2-CE2 4.06Å; F233-Y237 HydrophobicContact CE1-CD2 4.35Å; F233-Y237 AromaticContact CE2-CD2 3.61Å; F233-Y237 HydrophobicContact CE2-CD2 3.61Å; F233-Y237 AromaticContact CE2-CE2 3.94Å; F233-Y237 HydrophobicContact CE2-CE2 3.94Å; F233-Y237 HydrophobicContact CE2-CG 4.42Å; F233-Y237 HydrophobicContact CG-CD2 4.15Å; F233-Y237 AromaticContact CZ-CD2 3.94Å; F233-Y237 HydrophobicContact CZ-CD2 3.94Å; F233-Y237 HydrophobicContact CZ-CG 4.35Å; F233-Y237 WeakPolarHBondContact O-CD2 3.29Å; F233-Y237 PolarHBondContact O-N 3.33Å; Y234-Y237 PolarHBondContact O-N 3.04Å; Y237-E239 PolarHBondContact O-N 3.48Å; Y237-Q240 WeakPolarHBondContact O-CB 3.36Å; Y237-Q240 PolarHBondContact O-N 2.9Å; Y237-L241 PolarHBondContact O-N 3.26Å |
| 238 | K | 84.3 | Confident | 82.7 | Confident | 28 Ų | 28 | 62 Ų | 62 | 12% | 0.122 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -35.7 | -174.5 | 58.7 | -169.6 | -176.7 | -170.7 | 0 | 115.1 | E84 Y234 Q240 L241 R242 W262 F296 | E84-K238 IonicContact OE1-NZ 4Å; E84-K238 PolarHBondContact OE1-NZ 2.96Å; Y234-K238 WeakPolarHBondContact O-CA 3.04Å; Y234-K238 WeakPolarHBondContact O-CB 3.41Å; Y234-K238 WeakPolarHBondContact O-CG 3.44Å; Y234-K238 PolarHBondContact O-N 2.91Å; K238-Q240 VanDerWaalsContact C-N 3.3Å; K238-Q240 PolarHBondContact O-N 2.81Å; K238-L241 CarbonylContact O-C 3.54Å; K238-L241 PolarHBondContact O-N 2.89Å; K238-L241 VanDerWaalsContact O-N 3.09Å; K238-R242 PolarHBondContact O-N 3.3Å; K238-R242 VanDerWaalsContact O-N 3.16Å; K238-W262 HydrophobicContact CB-CH2 3.96Å; K238-W262 HydrophobicContact CB-CZ2 4.28Å; K238-W262 HydrophobicContact CD-CH2 4.17Å; K238-W262 HydrophobicContact CD-CZ2 3.84Å; K238-F296 HydrophobicContact CB-CD1 4.04Å; K238-F296 HydrophobicContact CB-CE1 3.69Å; K238-F296 HydrophobicContact CB-CZ 4.21Å; K238-F296 WeakPolarHBondContact O-CD1 3.35Å |
| 239 | E | 78.4 | Confident | 82.7 | Confident | 77 Ų | 77 | 60.8 Ų | 60.8 | 36% | 0.36 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -28.4 | -179.9 | -62.4 | -52.5 | 145.4 | 0 | 0 | 113.1 | Y237 L241 R242 | Y237-E239 PolarHBondContact O-N 3.48Å; E239-L241 VanDerWaalsContact C-N 3.31Å; E239-R242 WeakPolarHBondContact O-CG 3.28Å; E239-R242 IonicContact OE1-CZ 4Å; E239-R242 IonicContact OE1-NE 3.38Å; E239-R242 IonicContact OE1-NH2 3.48Å; E239-R242 PolarHBondContact OE1-NH2 3.38Å; E239-R242 IonicContact OE2-CZ 3.4Å; E239-R242 IonicContact OE2-NE 3.37Å; E239-R242 PolarHBondContact OE2-NE 2.71Å; E239-R242 IonicContact OE2-NH2 3.39Å; E239-R242 PolarHBondContact OE2-NH2 2.74Å |
| 240 | Q | 79.8 | Confident | 82.7 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 20% | 0.201 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -23.8 | 172.3 | -55.2 | -173.3 | 15.3 | 0 | 0 | 112.2 | V171 Y237 K238 | V171-Q240 HydrophobicContact CB-CG 4.29Å; V171-Q240 HydrophobicContact CG1-CG 3.86Å; Y237-Q240 WeakPolarHBondContact O-CB 3.36Å; Y237-Q240 PolarHBondContact O-N 2.9Å; K238-Q240 VanDerWaalsContact C-N 3.3Å; K238-Q240 PolarHBondContact O-N 2.81Å |
| 241 | L | 84.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 14.5 | -172.6 | -63.5 | 166.2 | 0 | 0 | 0 | 112.6 | F175 I177 F233 Y234 Y237 K238 E239 L243 F296 H297 V299 | F175-L241 HydrophobicContact CB-CD2 4.49Å; I177-L241 HydrophobicContact CG2-CD2 4.03Å; F233-L241 HydrophobicContact CD1-CD1 4.47Å; F233-L241 HydrophobicContact CE1-CD1 3.6Å; F233-L241 HydrophobicContact CZ-CD1 4.33Å; Y234-L241 HydrophobicContact CD1-CD1 4.11Å; Y234-L241 HydrophobicContact CE1-CB 4.26Å; Y234-L241 HydrophobicContact CE1-CD1 3.59Å; Y237-L241 PolarHBondContact O-N 3.26Å; K238-L241 CarbonylContact O-C 3.54Å; K238-L241 PolarHBondContact O-N 2.89Å; K238-L241 VanDerWaalsContact O-N 3.09Å; E239-L241 VanDerWaalsContact C-N 3.31Å; L241-L243 PolarHBondContact O-N 2.76Å; L241-F296 CarbonylContact O-C 3.41Å; L241-F296 WeakPolarHBondContact O-CA 3.41Å; L241-F296 WeakPolarHBondContact O-CB 3.37Å; L241-H297 PolarHBondContact O-N 3.16Å; L241-V299 HydrophobicContact CD1-CG2 3.73Å; L241-V299 HydrophobicContact CD2-CG2 3.54Å; L241-V299 HydrophobicContact CG-CG2 4.3Å |
| 242 | R | 81.7 | Confident | 81.8 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 18% | 0.177 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -52.4 | 132.3 | 172.6 | -70.1 | -71.7 | -178 | -175.7 | 0.3 | 109 | K238 E239 D244 D293 H297 | K238-R242 PolarHBondContact O-N 3.3Å; K238-R242 VanDerWaalsContact O-N 3.16Å; E239-R242 WeakPolarHBondContact O-CG 3.28Å; E239-R242 IonicContact OE1-CZ 4Å; E239-R242 IonicContact OE1-NE 3.38Å; E239-R242 IonicContact OE1-NH2 3.48Å; E239-R242 PolarHBondContact OE1-NH2 3.38Å; E239-R242 IonicContact OE2-CZ 3.4Å; E239-R242 IonicContact OE2-NE 3.37Å; E239-R242 PolarHBondContact OE2-NE 2.71Å; E239-R242 IonicContact OE2-NH2 3.39Å; E239-R242 PolarHBondContact OE2-NH2 2.74Å; R242-D244 PolarHBondContact O-N 3.09Å; R242-D293 PolarHBondContact NH1-O 2.83Å; R242-H297 PolarHBondContact O-CD2 2.81Å |
| 243 | L | 78.1 | Confident | 81.7 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 133.7 | -177.2 | -176.8 | 76.1 | 0 | 0 | 0 | 109.8 | L165 L241 L248 L252 V254 V295 | L165-L243 HydrophobicContact CD1-CB 3.65Å; L165-L243 HydrophobicContact CD1-CD2 3.59Å; L165-L243 HydrophobicContact CD1-CG 3.55Å; L165-L243 WeakPolarHBondContact CD1-O 3.33Å; L165-L243 HydrophobicContact CD2-CB 4.01Å; L165-L243 HydrophobicContact CD2-CD2 3.97Å; L165-L243 HydrophobicContact CD2-CG 4.44Å; L165-L243 HydrophobicContact CG-CB 4.41Å; L165-L243 HydrophobicContact CG-CD2 4.37Å; L241-L243 PolarHBondContact O-N 2.76Å; L243-L248 HydrophobicContact CD2-CD1 3.8Å; L243-L252 HydrophobicContact CD1-CD2 3.89Å; L243-V254 HydrophobicContact CD1-CG1 4.27Å; L243-V295 WeakPolarHBondContact CB-O 3.25Å; L243-V295 HydrophobicContact CD2-CB 4.35Å; L243-V295 HydrophobicContact CD2-CG1 4.04Å |
| 244 | D | 74.4 | Confident | 81.6 | Confident | 47 Ų | 47 | 51.6 Ų | 51.6 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -90.3 | 119 | 170.6 | -174.3 | -21.5 | 0 | 0 | 0 | 108.8 | R242 R246 L247 L248 H297 | R242-D244 PolarHBondContact O-N 3.09Å; D244-R246 PolarHBondContact O-N 3.48Å; D244-R246 VanDerWaalsContact O-N 3.08Å; D244-R246 VanDerWaalsContact OD1-CB 3.29Å; D244-R246 WeakPolarHBondContact OD1-CB 3.42Å; D244-R246 WeakPolarHBondContact OD1-CG 3.37Å; D244-R246 PolarHBondContact OD1-N 3.04Å; D244-R246 IonicContact OD1-NE 2.68Å; D244-R246 PolarHBondContact OD1-NE 3.22Å; D244-R246 VanDerWaalsContact OD1-NE 3.15Å; D244-R246 IonicContact OD2-CZ 2.67Å; D244-R246 IonicContact OD2-NE 2.88Å; D244-R246 PolarHBondContact OD2-NE 3.07Å; D244-R246 VanDerWaalsContact OD2-NE 3.1Å; D244-R246 IonicContact OD2-NH2 3.5Å; D244-R246 PolarHBondContact OD2-NH2 2.88Å; D244-L247 HydrophobicContact CB-CD1 4.21Å; D244-L247 HydrophobicContact CB-CG 4.26Å; D244-L247 PolarHBondContact O-N 3.2Å; D244-L248 PolarHBondContact O-N 2.86Å; D244-H297 PolarHBondContact N-NE2 3.04Å |
| 245 | A | 70 | Confident | 81.6 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L165 L247 L248 | L165-A245 HydrophobicContact CD1-CB 4.1Å; A245-L247 VanDerWaalsContact C-N 3.26Å; A245-L247 PolarHBondContact O-N 2.85Å; A245-L248 WeakPolarHBondContact O-CB 3.34Å; A245-L248 PolarHBondContact O-N 3.41Å |
| 246 | R | 71.4 | Confident | 81.8 | Confident | 212 Ų | 212 | 47.9 Ų | 47.9 | 80% | 0.8 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -22.5 | 178.1 | -60.2 | 176.2 | -66.6 | 176 | 1.7 | 113.3 | D244 | D244-R246 PolarHBondContact O-N 3.48Å; D244-R246 VanDerWaalsContact O-N 3.08Å; D244-R246 VanDerWaalsContact OD1-CB 3.29Å; D244-R246 WeakPolarHBondContact OD1-CB 3.42Å; D244-R246 WeakPolarHBondContact OD1-CG 3.37Å; D244-R246 PolarHBondContact OD1-N 3.04Å; D244-R246 IonicContact OD1-NE 2.68Å; D244-R246 PolarHBondContact OD1-NE 3.22Å; D244-R246 VanDerWaalsContact OD1-NE 3.15Å; D244-R246 IonicContact OD2-CZ 2.67Å; D244-R246 IonicContact OD2-NE 2.88Å; D244-R246 PolarHBondContact OD2-NE 3.07Å; D244-R246 VanDerWaalsContact OD2-NE 3.1Å; D244-R246 IonicContact OD2-NH2 3.5Å; D244-R246 PolarHBondContact OD2-NH2 2.88Å |
| 247 | L | 77.9 | Confident | 81.8 | Confident | 69 Ų | 69 | 43.4 Ų | 43.4 | 36% | 0.361 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -11.9 | 178.9 | -63.9 | 179.9 | 0 | 0 | 0 | 112.6 | I177 D244 A245 K249 | I177-L247 HydrophobicContact CD1-CD1 3.63Å; D244-L247 HydrophobicContact CB-CD1 4.21Å; D244-L247 HydrophobicContact CB-CG 4.26Å; D244-L247 PolarHBondContact O-N 3.2Å; A245-L247 VanDerWaalsContact C-N 3.26Å; A245-L247 PolarHBondContact O-N 2.85Å; L247-K249 PolarHBondContact O-N 3.32Å |
| 248 | L | 79.9 | Confident | 81.7 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | trans | -63.4 | 126.1 | -177 | -175.1 | 62.5 | 0 | 0 | 0 | 111 | L243 D244 A245 L252 V267 F270 P271 M277 | L243-L248 HydrophobicContact CD2-CD1 3.8Å; D244-L248 PolarHBondContact O-N 2.86Å; A245-L248 WeakPolarHBondContact O-CB 3.34Å; A245-L248 PolarHBondContact O-N 3.41Å; L248-L252 HydrophobicContact CD1-CD2 4.38Å; L248-V267 HydrophobicContact CD1-CG1 4.29Å; L248-V267 HydrophobicContact CD1-CG2 4.02Å; L248-F270 HydrophobicContact CD2-CD1 4Å; L248-F270 HydrophobicContact CD2-CE1 4.46Å; L248-F270 HydrophobicContact CG-CD1 4.01Å; L248-F270 HydrophobicContact CG-CE1 4.03Å; L248-F270 WeakPolarHBondContact O-CE1 3.48Å; L248-P271 HydrophobicContact CD2-CG 4.34Å; L248-M277 HydrophobicContact CD1-CE 3.62Å; L248-M277 HydrophobicContact CD2-CE 4.38Å; L248-M277 HydrophobicContact CD2-SD 4.48Å | ||
| 249 | K | 82.2 | Confident | 81.4 | Confident | 95 Ų | 95 | 47.3 Ų | 47.3 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | trans | -151.9 | 154.9 | 174.8 | 61.5 | -176.3 | 177.3 | -172.1 | 0 | 110.7 | T179 L247 G251 L252 | T179-K249 WeakPolarHBondContact O-CE 3.43Å; T179-K249 PolarHBondContact O-NZ 2.92Å; L247-K249 PolarHBondContact O-N 3.32Å; K249-G251 PolarHBondContact O-N 2.95Å; K249-L252 HydrophobicContact CG-CB 3.99Å; K249-L252 WeakPolarHBondContact O-CB 3.48Å; K249-L252 PolarHBondContact O-N 3.38Å | ||
| 250 | V | 83.8 | Confident | 81.3 | Confident | 78 Ų | 78 | 45.5 Ų | 45.5 | 47% | 0.473 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 133.7 | 168.4 | 176.6 | 0 | 0 | 0 | 0 | 109 | F270 | V250-F270 HydrophobicContact CG2-CD2 4.08Å; V250-F270 HydrophobicContact CG2-CE2 3.85Å; V250-F270 HydrophobicContact CG2-CZ 4.35Å |
| 251 | G | 76.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -1.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R181 K249 P253 E266 V267 | R181-G251 WeakPolarHBondContact CA-O 3.33Å; R181-G251 WeakPolarHBondContact CG-O 3.37Å; K249-G251 PolarHBondContact O-N 2.95Å; G251-P253 VanDerWaalsContact O-CD 3.3Å; G251-P253 WeakPolarHBondContact O-CD 3.36Å; G251-E266 WeakPolarHBondContact O-CG 3.32Å; G251-V267 PolarHBondContact N-O 2.86Å |
| 252 | L | 84.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -67.2 | 125.6 | 176 | -178 | 66.9 | 0 | 0 | 0 | 110.3 | L243 L248 K249 V254 E266 V267 | L243-L252 HydrophobicContact CD1-CD2 3.89Å; L248-L252 HydrophobicContact CD1-CD2 4.38Å; K249-L252 HydrophobicContact CG-CB 3.99Å; K249-L252 WeakPolarHBondContact O-CB 3.48Å; K249-L252 PolarHBondContact O-N 3.38Å; L252-V254 HydrophobicContact CD2-CG1 4.13Å; L252-V254 HydrophobicContact CG-CG1 4.11Å; L252-E266 WeakPolarHBondContact O-CA 3.43Å; L252-V267 HydrophobicContact CB-CB 4.45Å; L252-V267 HydrophobicContact CB-CG2 4.22Å; L252-V267 PolarHBondContact O-N 3.08Å | ||
| 253 | P | 86.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 135.3 | 170.7 | -19.5 | 37 | 0 | 0 | 0 | 110.5 | T178 E180 F182 G251 G265 L298 | T178-P253 HydrophobicContact CG2-CB 3.98Å; T178-P253 HydrophobicContact CG2-CG 3.71Å; E180-P253 WeakPolarHBondContact O-CD 3.36Å; E180-P253 WeakPolarHBondContact O-CG 3.36Å; F182-P253 HydrophobicContact CB-CB 4.21Å; F182-P253 HydrophobicContact CB-CG 3.58Å; G251-P253 VanDerWaalsContact O-CD 3.3Å; G251-P253 WeakPolarHBondContact O-CD 3.36Å; P253-G265 CarbonylContact C-O 3.58Å; P253-G265 VanDerWaalsContact CA-O 3.32Å; P253-G265 WeakPolarHBondContact CA-O 3.22Å; P253-L298 HydrophobicContact CB-CD2 3.88Å |
| 254 | V | 89.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 156.6 | -172.6 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | L243 L252 F256 G265 V267 I279 V295 F296 | L243-V254 HydrophobicContact CD1-CG1 4.27Å; L252-V254 HydrophobicContact CD2-CG1 4.13Å; L252-V254 HydrophobicContact CG-CG1 4.11Å; V254-F256 HydrophobicContact CG2-CD1 4.5Å; V254-G265 PolarHBondContact N-O 3.26Å; V254-G265 PolarHBondContact O-N 3.37Å; V254-V267 HydrophobicContact CG1-CG2 3.83Å; V254-V267 HydrophobicContact CG2-CG2 4.21Å; V254-I279 HydrophobicContact CG2-CD1 4.25Å; V254-V295 HydrophobicContact CB-CG1 3.55Å; V254-V295 HydrophobicContact CG1-CG1 3.67Å; V254-V295 HydrophobicContact CG2-CG1 3.7Å; V254-F296 WeakPolarHBondContact CA-O 3.36Å; V254-F296 WeakPolarHBondContact CB-O 3.46Å |
| 255 | A | 91 | Very high | 82.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 146.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | F230 Y234 H263 F296 L298 | F230-A255 HydrophobicContact CE1-CB 4.2Å; F230-A255 HydrophobicContact CZ-CB 3.59Å; Y234-A255 HydrophobicContact CD1-CB 3.94Å; Y234-A255 HydrophobicContact CD2-CB 4.37Å; Y234-A255 HydrophobicContact CE1-CB 3.32Å; Y234-A255 HydrophobicContact CE2-CB 3.84Å; Y234-A255 HydrophobicContact CG-CB 4.44Å; A255-H263 CarbonylContact C-O 3.45Å; A255-H263 WeakPolarHBondContact CA-O 3.49Å; A255-F296 HydrophobicContact CB-CB 4.33Å; A255-F296 PolarHBondContact N-O 2.74Å; A255-F296 PolarHBondContact O-N 3.04Å; A255-L298 HydrophobicContact CB-CD1 4.27Å |
| 256 | F | 90.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 154.2 | 174.6 | 67.5 | -83.2 | 0 | 0 | 0 | 112.5 | V254 A258 H263 I279 Y281 I290 K294 V295 | V254-F256 HydrophobicContact CG2-CD1 4.5Å; F256-A258 HydrophobicContact CD2-CB 3.97Å; F256-A258 HydrophobicContact CE2-CB 3.82Å; F256-H263 HydrophobicContact CD1-CB 4.07Å; F256-H263 HydrophobicContact CD2-CB 4.24Å; F256-H263 HydrophobicContact CE1-CB 3.52Å; F256-H263 HydrophobicContact CE2-CB 3.72Å; F256-H263 AromaticContact CE2-CG 3.97Å; F256-H263 HydrophobicContact CG-CB 4.41Å; F256-H263 HydrophobicContact CZ-CB 3.35Å; F256-H263 AromaticContact CZ-CG 3.93Å; F256-H263 PolarHBondContact N-O 2.87Å; F256-H263 PolarHBondContact O-N 2.86Å; F256-I279 HydrophobicContact CD1-CG2 3.84Å; F256-I279 HydrophobicContact CE1-CG2 3.5Å; F256-I279 VanDerWaalsContact CE1-CG2 3.5Å; F256-I279 HydrophobicContact CZ-CG2 3.95Å; F256-Y281 HydrophobicContact CE2-CD1 4.09Å; F256-Y281 HydrophobicContact CE2-CD2 4.5Å; F256-Y281 AromaticContact CE2-CE1 3.45Å; F256-Y281 HydrophobicContact CE2-CE1 3.45Å; F256-Y281 VanDerWaalsContact CE2-CE1 3.45Å; F256-Y281 AromaticContact CE2-CE2 3.92Å; F256-Y281 HydrophobicContact CE2-CE2 3.92Å; F256-Y281 AromaticContact CE2-CZ 3.38Å; F256-Y281 AromaticContact CZ-CD1 3.53Å; F256-Y281 HydrophobicContact CZ-CD1 3.53Å; F256-Y281 AromaticContact CZ-CD2 3.89Å; F256-Y281 HydrophobicContact CZ-CD2 3.89Å; F256-Y281 AromaticContact CZ-CE1 3.4Å; F256-Y281 HydrophobicContact CZ-CE1 3.4Å; F256-Y281 AromaticContact CZ-CE2 3.76Å; F256-Y281 HydrophobicContact CZ-CE2 3.76Å; F256-Y281 AromaticContact CZ-CG 3.78Å; F256-Y281 HydrophobicContact CZ-CG 3.78Å; F256-Y281 AromaticContact CZ-CZ 3.54Å; F256-I290 HydrophobicContact CB-CG2 4.34Å; F256-I290 HydrophobicContact CD2-CD1 4.01Å; F256-I290 HydrophobicContact CD2-CG1 3.88Å; F256-I290 HydrophobicContact CD2-CG2 4.16Å; F256-I290 HydrophobicContact CE2-CD1 3.94Å; F256-I290 HydrophobicContact CE2-CG1 3.98Å; F256-K294 CarbonylContact C-O 3.56Å; F256-K294 WeakPolarHBondContact CA-O 3.22Å; F256-K294 WeakPolarHBondContact CB-O 3.17Å; F256-V295 HydrophobicContact CB-CG2 4.25Å |
| 257 | Y | 87.2 | Confident | 83.9 | Confident | 64 Ų | 64 | 32.4 Ų | 32.4 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.5 | 178.9 | -167.1 | -105 | 0 | 0 | 0 | 110.5 | G260 E261 W262 K294 | Y257-G260 VanDerWaalsContact CE2-C 3.46Å; Y257-G260 WeakPolarHBondContact CE2-O 3.43Å; Y257-G260 VanDerWaalsContact OH-CA 3.25Å; Y257-G260 WeakPolarHBondContact OH-CA 3.14Å; Y257-G260 PolarHBondContact OH-O 3.04Å; Y257-E261 WeakPolarHBondContact CA-O 3.44Å; Y257-E261 VanDerWaalsContact CD2-C 3.47Å; Y257-E261 WeakPolarHBondContact CD2-O 3.14Å; Y257-W262 AromaticContact CD2-CD1 3.69Å; Y257-W262 AromaticContact CD2-CD2 3.79Å; Y257-W262 HydrophobicContact CD2-CD2 3.79Å; Y257-W262 AromaticContact CD2-CE2 3.67Å; Y257-W262 AromaticContact CD2-CG 3.82Å; Y257-W262 HydrophobicContact CD2-CG 3.82Å; Y257-W262 HydrophobicContact CD2-CZ2 4.29Å; Y257-W262 AromaticContact CD2-NE1 3.62Å; Y257-W262 AromaticContact CE2-CD1 3.89Å; Y257-W262 HydrophobicContact CE2-CG 4.41Å; Y257-W262 AromaticContact CE2-NE1 3.88Å; Y257-K294 PolarHBondContact N-O 3.47Å; Y257-K294 VanDerWaalsContact O-CD 3.26Å; Y257-K294 WeakPolarHBondContact O-CD 3.45Å |
| 258 | A | 82.6 | Confident | 84.1 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 5% | 0.05 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 144.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F256 G260 E261 H263 Y281 I290 | F256-A258 HydrophobicContact CD2-CB 3.97Å; F256-A258 HydrophobicContact CE2-CB 3.82Å; A258-G260 PolarHBondContact O-N 3.37Å; A258-E261 PolarHBondContact N-O 3.47Å; A258-E261 PolarHBondContact O-N 3.01Å; A258-E261 VanDerWaalsContact O-O 3.06Å; A258-H263 PolarHBondContact O-NE2 3.13Å; A258-Y281 WeakPolarHBondContact CB-OH 3.42Å; A258-I290 HydrophobicContact CB-CD1 3.87Å |
| 259 | Y | 78.6 | Confident | 84.3 | Confident | 169 Ų | 169 | 31.4 Ų | 31.4 | 66% | 0.663 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 26.2 | 176.4 | -50.3 | -67.8 | 0 | 0 | 0 | 115.9 | Y281 | Y259-Y281 WeakPolarHBondContact CE2-OH 3.08Š|
| 260 | G | 77 | Confident | 84.1 | Confident | 39 Ų | 39 | 31.9 Ų | 31.9 | 40% | 0.402 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 1.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y257 A258 | Y257-G260 VanDerWaalsContact CE2-C 3.46Å; Y257-G260 WeakPolarHBondContact CE2-O 3.43Å; Y257-G260 VanDerWaalsContact OH-CA 3.25Å; Y257-G260 WeakPolarHBondContact OH-CA 3.14Å; Y257-G260 PolarHBondContact OH-O 3.04Å; A258-G260 PolarHBondContact O-N 3.37Å |
| 261 | E | 83.1 | Confident | 83.3 | Confident | 116 Ų | 116 | 28.6 Ų | 28.6 | 54% | 0.542 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 158.6 | -174.6 | -61.8 | -176.3 | 162.8 | 0 | 0 | 112.2 | Y257 A258 H263 | Y257-E261 WeakPolarHBondContact CA-O 3.44Å; Y257-E261 VanDerWaalsContact CD2-C 3.47Å; Y257-E261 WeakPolarHBondContact CD2-O 3.14Å; A258-E261 PolarHBondContact N-O 3.47Å; A258-E261 PolarHBondContact O-N 3.01Å; A258-E261 VanDerWaalsContact O-O 3.06Å; E261-H263 PolarHBondContact O-CD2 3.43Å |
| 262 | W | 88.1 | Confident | 82.7 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.7 | 174.6 | -76 | 98.5 | 0 | 0 | 0 | 111.2 | R227 F230 Y234 D235 K238 Y257 F296 | R227-W262 VanDerWaalsContact CD-O 3.29Å; R227-W262 WeakPolarHBondContact CD-O 3.42Å; R227-W262 VanDerWaalsContact CZ-O 3.24Å; R227-W262 PolarHBondContact NE-O 2.85Å; R227-W262 PolarHBondContact NH1-O 3.09Å; F230-W262 HydrophobicContact CD1-CB 3.49Å; F230-W262 VanDerWaalsContact CD1-CB 3.49Å; F230-W262 HydrophobicContact CE1-CB 3.79Å; Y234-W262 HydrophobicContact CD1-CE3 4.09Å; Y234-W262 HydrophobicContact CD1-CH2 4.1Å; Y234-W262 AromaticContact CD1-CZ3 3.71Å; Y234-W262 HydrophobicContact CD1-CZ3 3.71Å; Y234-W262 HydrophobicContact CG-CD2 4.21Å; Y234-W262 AromaticContact CG-CE3 3.9Å; Y234-W262 HydrophobicContact CG-CE3 3.9Å; Y234-W262 HydrophobicContact CG-CH2 4.38Å; Y234-W262 AromaticContact CG-CZ3 3.98Å; Y234-W262 HydrophobicContact CG-CZ3 3.98Å; D235-W262 PolarHBondContact OD1-NE1 3.03Å; K238-W262 HydrophobicContact CB-CH2 3.96Å; K238-W262 HydrophobicContact CB-CZ2 4.28Å; K238-W262 HydrophobicContact CD-CH2 4.17Å; K238-W262 HydrophobicContact CD-CZ2 3.84Å; Y257-W262 AromaticContact CD2-CD1 3.69Å; Y257-W262 AromaticContact CD2-CD2 3.79Å; Y257-W262 HydrophobicContact CD2-CD2 3.79Å; Y257-W262 AromaticContact CD2-CE2 3.67Å; Y257-W262 AromaticContact CD2-CG 3.82Å; Y257-W262 HydrophobicContact CD2-CG 3.82Å; Y257-W262 HydrophobicContact CD2-CZ2 4.29Å; Y257-W262 AromaticContact CD2-NE1 3.62Å; Y257-W262 AromaticContact CE2-CD1 3.89Å; Y257-W262 HydrophobicContact CE2-CG 4.41Å; Y257-W262 AromaticContact CE2-NE1 3.88Å; W262-F296 AromaticContact CH2-CD2 3.66Å; W262-F296 HydrophobicContact CH2-CD2 3.66Å; W262-F296 HydrophobicContact CH2-CE1 4.49Å; W262-F296 AromaticContact CH2-CE2 3.45Å; W262-F296 HydrophobicContact CH2-CE2 3.45Å; W262-F296 VanDerWaalsContact CH2-CE2 3.45Å; W262-F296 HydrophobicContact CH2-CG 4.28Å; W262-F296 AromaticContact CH2-CZ 3.91Å; W262-F296 HydrophobicContact CH2-CZ 3.91Å; W262-F296 AromaticContact CZ3-CD2 3.45Å; W262-F296 HydrophobicContact CZ3-CD2 3.45Å; W262-F296 VanDerWaalsContact CZ3-CD2 3.45Å; W262-F296 AromaticContact CZ3-CE2 3.68Å; W262-F296 HydrophobicContact CZ3-CE2 3.68Å; W262-F296 HydrophobicContact CZ3-CG 4.15Å |
| 263 | H | 85 | Confident | 81 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152.4 | -177.4 | -57.6 | -104.3 | 0 | 0 | 0 | 111.9 | R227 F230 A255 F256 A258 E261 Y281 E284 | R227-H263 PolarHBondContact NH1-CE1 3.27Å; R227-H263 VanDerWaalsContact NH1-CE1 3.25Å; R227-H263 PolarHBondContact NH1-ND1 3.22Å; F230-H263 WeakPolarHBondContact CE1-O 3.2Å; A255-H263 CarbonylContact C-O 3.45Å; A255-H263 WeakPolarHBondContact CA-O 3.49Å; F256-H263 HydrophobicContact CD1-CB 4.07Å; F256-H263 HydrophobicContact CD2-CB 4.24Å; F256-H263 HydrophobicContact CE1-CB 3.52Å; F256-H263 HydrophobicContact CE2-CB 3.72Å; F256-H263 AromaticContact CE2-CG 3.97Å; F256-H263 HydrophobicContact CG-CB 4.41Å; F256-H263 HydrophobicContact CZ-CB 3.35Å; F256-H263 AromaticContact CZ-CG 3.93Å; F256-H263 PolarHBondContact N-O 2.87Å; F256-H263 PolarHBondContact O-N 2.86Å; A258-H263 PolarHBondContact O-NE2 3.13Å; E261-H263 PolarHBondContact O-CD2 3.43Å; H263-Y281 HydrophobicContact CB-CD1 4.33Å; H263-Y281 HydrophobicContact CB-CE1 4.43Å; H263-Y281 AromaticContact CE1-CE1 3.82Å; H263-Y281 AromaticContact CG-CD1 3.97Å; H263-Y281 AromaticContact CG-CE1 3.82Å; H263-Y281 AromaticContact ND1-CD1 3.48Å; H263-Y281 WeakPolarHBondContact ND1-CD1 3.43Å; H263-Y281 AromaticContact ND1-CE1 3.51Å; H263-E284 IonicContact CE1-OE1 3.68Å; H263-E284 PolarHBondContact CE1-OE1 2.84Å; H263-E284 IonicContact CG-OE1 3.15Å; H263-E284 IonicContact ND1-OE1 2.69Å; H263-E284 PolarHBondContact ND1-OE1 3.49Å |
| 264 | R | 85.8 | Confident | 79.4 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 138.8 | 161.2 | -65.4 | -170 | -66.9 | -173.7 | 3.9 | 109.4 | F226 F230 L282 D283 L298 F302 N308 | F226-R264 HydrophobicContact CE1-CG 4.19Å; F226-R264 HydrophobicContact CZ-CG 3.99Å; F230-R264 HydrophobicContact CE1-CG 4.41Å; F230-R264 HydrophobicContact CE2-CG 4.02Å; F230-R264 HydrophobicContact CZ-CG 3.84Å; R264-L282 HydrophobicContact CB-CB 4.13Å; R264-L282 HydrophobicContact CB-CD1 4.33Å; R264-L282 PolarHBondContact O-N 2.89Å; R264-D283 IonicContact CZ-OD1 3.15Å; R264-D283 VanDerWaalsContact CZ-OD1 3.23Å; R264-D283 IonicContact NE-OD1 4Å; R264-D283 PolarHBondContact NE-OD1 3.48Å; R264-D283 IonicContact NE-OD2 2.72Å; R264-D283 PolarHBondContact NE-OD2 2.88Å; R264-D283 IonicContact NH2-OD1 3.1Å; R264-D283 PolarHBondContact NH2-OD1 3.42Å; R264-L298 HydrophobicContact CG-CD1 4.21Å; R264-F302 PolarHBondContact NH1-O 3.5Å; R264-N308 PolarHBondContact NH1-OD1 2.82Å; R264-N308 VanDerWaalsContact NH1-OD1 3.14Å |
| 265 | G | 83.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 169.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P253 V254 L280 L282 | P253-G265 CarbonylContact C-O 3.58Å; P253-G265 VanDerWaalsContact CA-O 3.32Å; P253-G265 WeakPolarHBondContact CA-O 3.22Å; V254-G265 PolarHBondContact N-O 3.26Å; V254-G265 PolarHBondContact O-N 3.37Å; G265-L280 CarbonylContact C-O 3.55Å; G265-L280 WeakPolarHBondContact CA-O 3.47Å; G265-L282 WeakPolarHBondContact O-CD1 3.29Å |
| 266 | E | 83.1 | Confident | 77.2 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.5 | 168.7 | -169.2 | -172.9 | 92.1 | 0 | 0 | 110.2 | R183 G251 L252 L268 I279 L280 L282 | R183-E266 WeakPolarHBondContact CG-OE2 3.29Å; R183-E266 IonicContact CZ-OE1 3.55Å; R183-E266 IonicContact NE-OE1 2.97Å; R183-E266 PolarHBondContact NE-OE1 3.24Å; R183-E266 IonicContact NE-OE2 2.6Å; R183-E266 IonicContact NH2-OE1 3.59Å; R183-E266 PolarHBondContact NH2-OE1 3.38Å; G251-E266 WeakPolarHBondContact O-CG 3.32Å; L252-E266 WeakPolarHBondContact O-CA 3.43Å; E266-L268 PolarHBondContact O-N 3.01Å; E266-I279 WeakPolarHBondContact O-CA 3.47Å; E266-L280 HydrophobicContact CB-CB 4.33Å; E266-L280 PolarHBondContact N-O 3.2Å; E266-L280 PolarHBondContact O-N 2.85Å; E266-L282 HydrophobicContact CB-CD1 4.48Å; E266-L282 HydrophobicContact CB-CD2 4.04Å; E266-L282 HydrophobicContact CB-CG 4.33Å |
| 267 | V | 86.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 118.6 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | L248 G251 L252 V254 S269 M277 I279 | L248-V267 HydrophobicContact CD1-CG1 4.29Å; L248-V267 HydrophobicContact CD1-CG2 4.02Å; G251-V267 PolarHBondContact N-O 2.86Å; L252-V267 HydrophobicContact CB-CB 4.45Å; L252-V267 HydrophobicContact CB-CG2 4.22Å; L252-V267 PolarHBondContact O-N 3.08Å; V254-V267 HydrophobicContact CG1-CG2 3.83Å; V254-V267 HydrophobicContact CG2-CG2 4.21Å; V267-S269 WeakPolarHBondContact CG1-O 3.42Å; V267-M277 HydrophobicContact CB-CE 4.04Å; V267-M277 HydrophobicContact CG1-CE 3.36Å; V267-M277 HydrophobicContact CG2-CE 3.51Å; V267-I279 HydrophobicContact CB-CD1 4.37Å; V267-I279 HydrophobicContact CG2-CD1 3.89Å |
| 268 | L | 82.4 | Confident | 76.4 | Confident | 51 Ų | 51 | 41.2 Ų | 41.2 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | trans | -97.5 | -30 | 176.1 | -59.1 | -176.4 | 0 | 0 | 0 | 112.8 | E266 N278 L280 T287 | E266-L268 PolarHBondContact O-N 3.01Å; L268-N278 WeakPolarHBondContact CA-O 3.32Å; L268-N278 HydrophobicContact CB-CB 3.92Å; L268-N278 WeakPolarHBondContact CB-O 3.44Å; L268-N278 PolarHBondContact N-O 3.32Å; L268-L280 HydrophobicContact CD1-CB 3.99Å; L268-L280 HydrophobicContact CD2-CB 3.96Å; L268-L280 HydrophobicContact CG-CB 4.02Å; L268-T287 HydrophobicContact CD1-CG2 3.41Å; L268-T287 VanDerWaalsContact CD1-CG2 3.41Å | ||
| 269 | S | 82.8 | Confident | 76.3 | Confident | 20 Ų | 20 | 41 Ų | 41 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -141.9 | 149.3 | 176.2 | 74 | 0 | 0 | 0 | 0 | 111 | V267 N278 | V267-S269 WeakPolarHBondContact CG1-O 3.42Å; S269-N278 PolarHBondContact N-O 3.35Å; S269-N278 WeakPolarHBondContact OG-CB 3.34Å; S269-N278 PolarHBondContact OG-N 3.1Å; S269-N278 VanDerWaalsContact OG-N 3.09Å; S269-N278 PolarHBondContact OG-ND2 3.33Å |
| 270 | F | 79.2 | Confident | 76.4 | Confident | 106 Ų | 106 | 34.4 Ų | 34.4 | 47% | 0.465 | 19% | 0.187 | S | C | . | . | trans | -60.9 | 159.6 | 162.9 | -66.2 | -69.4 | 0 | 0 | 0 | 110.7 | L248 V250 K272 | L248-F270 HydrophobicContact CD2-CD1 4Å; L248-F270 HydrophobicContact CD2-CE1 4.46Å; L248-F270 HydrophobicContact CG-CD1 4.01Å; L248-F270 HydrophobicContact CG-CE1 4.03Å; L248-F270 WeakPolarHBondContact O-CE1 3.48Å; V250-F270 HydrophobicContact CG2-CD2 4.08Å; V250-F270 HydrophobicContact CG2-CE2 3.85Å; V250-F270 HydrophobicContact CG2-CZ 4.35Å; F270-K272 PolarHBondContact O-N 2.65Å | ||
| 271 | P | 66.9 | Low | 76.5 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | trans | -59.9 | 129.9 | 177.8 | -12.3 | 24.9 | 0 | 0 | 0 | 109.2 | Y163 L248 L276 M277 C292 | Y163-P271 HydrophobicContact CD1-CB 4.2Å; Y163-P271 WeakPolarHBondContact CD1-O 3.44Å; Y163-P271 WeakPolarHBondContact CE1-O 3.44Å; L248-P271 HydrophobicContact CD2-CG 4.34Å; P271-L276 VanDerWaalsContact CA-O 3.27Å; P271-L276 WeakPolarHBondContact CA-O 3.47Å; P271-M277 HydrophobicContact CB-CG 3.91Å; P271-M277 HydrophobicContact CG-CG 3.64Å; P271-M277 HydrophobicContact CG-SD 3.87Å; P271-C292 WeakPolarHBondContact CB-SG 3.5Å; P271-C292 WeakPolarHBondContact CG-SG 3.42Å | ||
| 272 | K | 63 | Low | 76.1 | Confident | 146 Ų | 146 | 28.1 Ų | 28.1 | 64% | 0.635 | 15% | 0.148 | S | C | * | . | trans | -94.8 | -166.1 | 169.8 | -68.7 | -173 | 178.4 | -178.5 | 0 | 109.2 | F270 L274 G275 L276 | F270-K272 PolarHBondContact O-N 2.65Å; K272-L274 PolarHBondContact O-N 3.49Å; K272-G275 PolarHBondContact O-N 3.41Å; K272-G275 VanDerWaalsContact O-N 3.12Å; K272-L276 PolarHBondContact N-O 3.22Å; K272-L276 VanDerWaalsContact N-O 3.1Å | ||
| 273 | G | 48.7 | Very low | 75.3 | Confident | 24 Ų | 24 | 28.4 Ų | 28.4 | 25% | 0.247 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -44 | 140.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 274 | L | 53.4 | Low | 74.5 | Confident | 50 Ų | 50 | 29.5 Ų | 29.5 | 26% | 0.262 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | 78.1 | 2.1 | -176.4 | -48 | 172 | 0 | 0 | 0 | 116.9 | F32 L78 K272 L276 | F32-L274 HydrophobicContact CB-CD2 3.72Å; F32-L274 HydrophobicContact CD1-CD2 4.1Å; F32-L274 HydrophobicContact CG-CD2 4.42Å; L78-L274 HydrophobicContact CD1-CB 3.34Å; L78-L274 HydrophobicContact CD1-CD1 3.38Å; L78-L274 HydrophobicContact CD1-CD2 3.58Å; L78-L274 HydrophobicContact CD1-CG 3.53Å; L78-L274 HydrophobicContact CD2-CB 3.87Å; L78-L274 WeakPolarHBondContact CD2-O 3.28Å; L78-L274 HydrophobicContact CG-CB 4.22Å; K272-L274 PolarHBondContact O-N 3.49Å; L274-L276 VanDerWaalsContact C-N 3.29Å; L274-L276 HydrophobicContact CB-CD1 4.47Å; L274-L276 HydrophobicContact CB-CG 4.4Å; L274-L276 PolarHBondContact O-N 3.48Å |
| 275 | G | 63 | Low | 73.3 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | 69.5 | 27.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K272 R291 C292 | K272-G275 PolarHBondContact O-N 3.41Å; K272-G275 VanDerWaalsContact O-N 3.12Å; G275-R291 WeakPolarHBondContact O-CA 3.46Å; G275-C292 PolarHBondContact O-N 2.81Å; G275-C292 PolarHBondContact O-SG 3.29Å |
| 276 | L | 71.8 | Confident | 72.5 | Confident | 38 Ų | 38 | 33.2 Ų | 33.2 | 20% | 0.199 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 137.6 | 175.1 | -64.9 | 175.2 | 0 | 0 | 0 | 111 | L78 P271 K272 L274 L289 I290 R291 | L78-L276 HydrophobicContact CD2-CD1 3.99Å; L78-L276 HydrophobicContact CD2-CD2 3.68Å; L78-L276 HydrophobicContact CD2-CG 3.71Å; P271-L276 VanDerWaalsContact CA-O 3.27Å; P271-L276 WeakPolarHBondContact CA-O 3.47Å; K272-L276 PolarHBondContact N-O 3.22Å; K272-L276 VanDerWaalsContact N-O 3.1Å; L274-L276 VanDerWaalsContact C-N 3.29Å; L274-L276 HydrophobicContact CB-CD1 4.47Å; L274-L276 HydrophobicContact CB-CG 4.4Å; L274-L276 PolarHBondContact O-N 3.48Å; L276-L289 HydrophobicContact CB-CD2 4.21Å; L276-I290 CarbonylContact C-O 3.56Å; L276-I290 WeakPolarHBondContact CA-O 3.13Å; L276-R291 HydrophobicContact CD2-CB 4.31Å; L276-R291 HydrophobicContact CD2-CG 3.55Å |
| 277 | M | 77.2 | Confident | 72.1 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.8 | 175.5 | -66.9 | 171.8 | 60.2 | 0 | 0 | 110.3 | L248 V267 P271 I279 L289 I290 C292 | L248-M277 HydrophobicContact CD1-CE 3.62Å; L248-M277 HydrophobicContact CD2-CE 4.38Å; L248-M277 HydrophobicContact CD2-SD 4.48Å; V267-M277 HydrophobicContact CB-CE 4.04Å; V267-M277 HydrophobicContact CG1-CE 3.36Å; V267-M277 HydrophobicContact CG2-CE 3.51Å; P271-M277 HydrophobicContact CB-CG 3.91Å; P271-M277 HydrophobicContact CG-CG 3.64Å; P271-M277 HydrophobicContact CG-SD 3.87Å; M277-I279 HydrophobicContact CB-CD1 4.2Å; M277-I279 HydrophobicContact CB-CG1 4.49Å; M277-I279 HydrophobicContact CE-CD1 4.05Å; M277-L289 WeakPolarHBondContact O-CA 3.38Å; M277-I290 PolarHBondContact N-O 3.31Å; M277-I290 PolarHBondContact O-N 3.38Å; M277-C292 HydrophobicContact SD-CB 4.34Å |
| 278 | N | 82.5 | Confident | 71.8 | Confident | 56 Ų | 56 | 37.2 Ų | 37.2 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.2 | 164.8 | -72.3 | -53.8 | 0 | 0 | 0 | 109 | L268 S269 G288 L289 | L268-N278 WeakPolarHBondContact CA-O 3.32Å; L268-N278 HydrophobicContact CB-CB 3.92Å; L268-N278 WeakPolarHBondContact CB-O 3.44Å; L268-N278 PolarHBondContact N-O 3.32Å; S269-N278 PolarHBondContact N-O 3.35Å; S269-N278 WeakPolarHBondContact OG-CB 3.34Å; S269-N278 PolarHBondContact OG-N 3.1Å; S269-N278 VanDerWaalsContact OG-N 3.09Å; S269-N278 PolarHBondContact OG-ND2 3.33Å; N278-G288 WeakPolarHBondContact CA-O 3.38Å; N278-L289 WeakPolarHBondContact OD1-CD2 3.41Å |
| 279 | I | 81.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.4 | 176 | -57.6 | -60.7 | 0 | 0 | 0 | 108.4 | V254 F256 E266 V267 M277 T287 G288 I290 | V254-I279 HydrophobicContact CG2-CD1 4.25Å; F256-I279 HydrophobicContact CD1-CG2 3.84Å; F256-I279 HydrophobicContact CE1-CG2 3.5Å; F256-I279 VanDerWaalsContact CE1-CG2 3.5Å; F256-I279 HydrophobicContact CZ-CG2 3.95Å; E266-I279 WeakPolarHBondContact O-CA 3.47Å; V267-I279 HydrophobicContact CB-CD1 4.37Å; V267-I279 HydrophobicContact CG2-CD1 3.89Å; M277-I279 HydrophobicContact CB-CD1 4.2Å; M277-I279 HydrophobicContact CB-CG1 4.49Å; M277-I279 HydrophobicContact CE-CD1 4.05Å; I279-T287 CarbonylContact O-C 3.44Å; I279-T287 VanDerWaalsContact O-CA 3.29Å; I279-T287 WeakPolarHBondContact O-CA 3.48Å; I279-G288 PolarHBondContact N-O 3.45Å; I279-G288 PolarHBondContact O-N 3.33Å; I279-I290 HydrophobicContact CB-CG1 4.06Å; I279-I290 HydrophobicContact CG1-CB 3.92Å; I279-I290 HydrophobicContact CG1-CG1 3.85Å |
| 280 | L | 79.4 | Confident | 71.6 | Confident | 31 Ų | 31 | 38.7 Ų | 38.7 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.6 | 164 | 175.1 | 65.8 | 0 | 0 | 0 | 108 | G265 E266 L268 L282 T287 | G265-L280 CarbonylContact C-O 3.55Å; G265-L280 WeakPolarHBondContact CA-O 3.47Å; E266-L280 HydrophobicContact CB-CB 4.33Å; E266-L280 PolarHBondContact N-O 3.2Å; E266-L280 PolarHBondContact O-N 2.85Å; L268-L280 HydrophobicContact CD1-CB 3.99Å; L268-L280 HydrophobicContact CD2-CB 3.96Å; L268-L280 HydrophobicContact CG-CB 4.02Å; L280-L282 HydrophobicContact CD2-CD2 4.12Å; L280-L282 HydrophobicContact CG-CD2 4.48Å; L280-L282 PolarHBondContact O-N 3.18Å; L280-T287 HydrophobicContact CD1-CG2 4.17Å |
| 281 | Y | 79.8 | Confident | 71.4 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 108.8 | 170.9 | -78.6 | -110.6 | 0 | 0 | 0 | 107.8 | F256 A258 Y259 H263 D283 E284 G285 Y286 I290 | F256-Y281 HydrophobicContact CE2-CD1 4.09Å; F256-Y281 HydrophobicContact CE2-CD2 4.5Å; F256-Y281 AromaticContact CE2-CE1 3.45Å; F256-Y281 HydrophobicContact CE2-CE1 3.45Å; F256-Y281 VanDerWaalsContact CE2-CE1 3.45Å; F256-Y281 AromaticContact CE2-CE2 3.92Å; F256-Y281 HydrophobicContact CE2-CE2 3.92Å; F256-Y281 AromaticContact CE2-CZ 3.38Å; F256-Y281 AromaticContact CZ-CD1 3.53Å; F256-Y281 HydrophobicContact CZ-CD1 3.53Å; F256-Y281 AromaticContact CZ-CD2 3.89Å; F256-Y281 HydrophobicContact CZ-CD2 3.89Å; F256-Y281 AromaticContact CZ-CE1 3.4Å; F256-Y281 HydrophobicContact CZ-CE1 3.4Å; F256-Y281 AromaticContact CZ-CE2 3.76Å; F256-Y281 HydrophobicContact CZ-CE2 3.76Å; F256-Y281 AromaticContact CZ-CG 3.78Å; F256-Y281 HydrophobicContact CZ-CG 3.78Å; F256-Y281 AromaticContact CZ-CZ 3.54Å; A258-Y281 WeakPolarHBondContact CB-OH 3.42Å; Y259-Y281 WeakPolarHBondContact CE2-OH 3.08Å; H263-Y281 HydrophobicContact CB-CD1 4.33Å; H263-Y281 HydrophobicContact CB-CE1 4.43Å; H263-Y281 AromaticContact CE1-CE1 3.82Å; H263-Y281 AromaticContact CG-CD1 3.97Å; H263-Y281 AromaticContact CG-CE1 3.82Å; H263-Y281 AromaticContact ND1-CD1 3.48Å; H263-Y281 WeakPolarHBondContact ND1-CD1 3.43Å; H263-Y281 AromaticContact ND1-CE1 3.51Å; Y281-D283 PolarHBondContact O-N 3.48Å; Y281-E284 WeakPolarHBondContact CB-OE2 3.4Å; Y281-G285 WeakPolarHBondContact O-CA 3.41Å; Y281-G285 PolarHBondContact O-N 3.12Å; Y281-Y286 WeakPolarHBondContact CB-O 3.27Å; Y281-Y286 AromaticContact CD1-CE1 3.93Å; Y281-Y286 HydrophobicContact CD1-CE1 3.93Å; Y281-Y286 AromaticContact CD1-CE2 3.92Å; Y281-Y286 HydrophobicContact CD1-CE2 3.92Å; Y281-Y286 AromaticContact CD1-CZ 3.43Å; Y281-Y286 VanDerWaalsContact CD1-CZ 3.43Å; Y281-Y286 VanDerWaalsContact CD1-OH 3.29Å; Y281-Y286 WeakPolarHBondContact CD1-OH 3.47Å; Y281-Y286 AromaticContact CD2-CD2 3.74Å; Y281-Y286 HydrophobicContact CD2-CD2 3.74Å; Y281-Y286 HydrophobicContact CD2-CE1 4.49Å; Y281-Y286 AromaticContact CD2-CE2 3.39Å; Y281-Y286 HydrophobicContact CD2-CE2 3.39Å; Y281-Y286 HydrophobicContact CD2-CG 4.43Å; Y281-Y286 AromaticContact CD2-CZ 3.82Å; Y281-Y286 HydrophobicContact CE1-CE1 4.43Å; Y281-Y286 AromaticContact CE1-CE2 3.88Å; Y281-Y286 HydrophobicContact CE1-CE2 3.88Å; Y281-Y286 AromaticContact CE1-CZ 3.52Å; Y281-Y286 WeakPolarHBondContact CE1-OH 3.29Å; Y281-Y286 HydrophobicContact CE2-CD2 4.04Å; Y281-Y286 AromaticContact CE2-CE2 3.36Å; Y281-Y286 HydrophobicContact CE2-CE2 3.36Å; Y281-Y286 AromaticContact CE2-CZ 3.91Å; Y281-Y286 HydrophobicContact CG-CD1 4.38Å; Y281-Y286 HydrophobicContact CG-CD2 4.13Å; Y281-Y286 AromaticContact CG-CE1 3.95Å; Y281-Y286 HydrophobicContact CG-CE1 3.95Å; Y281-Y286 AromaticContact CG-CE2 3.67Å; Y281-Y286 HydrophobicContact CG-CE2 3.67Å; Y281-Y286 HydrophobicContact CG-CG 4.47Å; Y281-Y286 AromaticContact CG-CZ 3.57Å; Y281-Y286 AromaticContact CZ-CE2 3.57Å; Y281-Y286 AromaticContact CZ-CZ 3.74Å; Y281-Y286 PolarHBondContact N-O 3.14Å; Y281-I290 HydrophobicContact CE2-CD1 4.5Å; Y281-I290 WeakPolarHBondContact OH-CD1 3.46Å |
| 282 | L | 75.3 | Confident | 71.8 | Confident | 23 Ų | 23 | 34.6 Ų | 34.6 | 12% | 0.12 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19.6 | -169.5 | -77.1 | 176 | 0 | 0 | 0 | 113.3 | F182 R264 G265 E266 L280 F316 | F182-L282 HydrophobicContact CD1-CD1 4.24Å; R264-L282 HydrophobicContact CB-CB 4.13Å; R264-L282 HydrophobicContact CB-CD1 4.33Å; R264-L282 PolarHBondContact O-N 2.89Å; G265-L282 WeakPolarHBondContact O-CD1 3.29Å; E266-L282 HydrophobicContact CB-CD1 4.48Å; E266-L282 HydrophobicContact CB-CD2 4.04Å; E266-L282 HydrophobicContact CB-CG 4.33Å; L280-L282 HydrophobicContact CD2-CD2 4.12Å; L280-L282 HydrophobicContact CG-CD2 4.48Å; L280-L282 PolarHBondContact O-N 3.18Å; L282-F316 WeakPolarHBondContact O-CE2 3.47Å; L282-F316 WeakPolarHBondContact O-CZ 3.11Å |
| 283 | D | 71.5 | Confident | 72.2 | Confident | 11 Ų | 11 | 28.2 Ų | 28.2 | 6% | 0.059 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -13.7 | -177 | -48.7 | -45.6 | 0 | 0 | 0 | 113.2 | F223 R227 R264 Y281 F316 | F223-D283 HydrophobicContact CD2-CB 4.01Å; F223-D283 HydrophobicContact CE2-CB 3.2Å; F223-D283 WeakPolarHBondContact CE2-OD2 3.45Å; F223-D283 HydrophobicContact CZ-CB 3.78Å; R227-D283 IonicContact CZ-OD2 3.03Å; R227-D283 IonicContact NE-OD2 2.69Å; R227-D283 IonicContact NH2-OD2 3.32Å; R227-D283 PolarHBondContact NH2-OD2 3.46Å; R264-D283 IonicContact CZ-OD1 3.15Å; R264-D283 VanDerWaalsContact CZ-OD1 3.23Å; R264-D283 IonicContact NE-OD1 4Å; R264-D283 PolarHBondContact NE-OD1 3.48Å; R264-D283 IonicContact NE-OD2 2.72Å; R264-D283 PolarHBondContact NE-OD2 2.88Å; R264-D283 IonicContact NH2-OD1 3.1Å; R264-D283 PolarHBondContact NH2-OD1 3.42Å; Y281-D283 PolarHBondContact O-N 3.48Å; D283-F316 VanDerWaalsContact C-CE1 3.5Å; D283-F316 WeakPolarHBondContact O-CE1 3.26Å; D283-F316 VanDerWaalsContact O-CZ 3.22Å; D283-F316 WeakPolarHBondContact O-CZ 3.4Å |
| 284 | E | 67.9 | Low | 73.8 | Confident | 30 Ų | 30 | 29 Ų | 29 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -22.2 | 179.2 | -51.8 | 86.7 | 154.6 | 0 | 0 | 114 | T204 R227 H263 Y281 Y286 F316 | T204-E284 VanDerWaalsContact CB-O 3.25Å; T204-E284 WeakPolarHBondContact CB-O 3.41Å; T204-E284 PolarHBondContact OG1-O 2.92Å; R227-E284 IonicContact CZ-OE1 3.06Å; R227-E284 IonicContact NH1-OE1 3.72Å; R227-E284 PolarHBondContact NH1-OE1 2.91Å; R227-E284 IonicContact NH2-OE1 2.78Å; R227-E284 PolarHBondContact NH2-OE1 3.33Å; R227-E284 IonicContact NH2-OE2 3.01Å; R227-E284 PolarHBondContact NH2-OE2 3.43Å; H263-E284 IonicContact CE1-OE1 3.68Å; H263-E284 PolarHBondContact CE1-OE1 2.84Å; H263-E284 IonicContact CG-OE1 3.15Å; H263-E284 IonicContact ND1-OE1 2.69Å; H263-E284 PolarHBondContact ND1-OE1 3.49Å; Y281-E284 WeakPolarHBondContact CB-OE2 3.4Å; E284-Y286 VanDerWaalsContact C-N 3.29Å; E284-Y286 HydrophobicContact CB-CD1 3.49Å; E284-Y286 VanDerWaalsContact CB-CD1 3.49Å; E284-Y286 HydrophobicContact CB-CE1 3.34Å; E284-Y286 HydrophobicContact CG-CE1 3.96Å; E284-Y286 PolarHBondContact O-N 2.98Å; E284-F316 VanDerWaalsContact CA-CE1 3.5Å; E284-F316 WeakPolarHBondContact O-CE1 3.48Å |
| 285 | G | 59.2 | Low | 75.4 | Confident | 10 Ų | 10 | 26.8 Ų | 26.8 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | trans | 83.5 | -2.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y281 | Y281-G285 WeakPolarHBondContact O-CA 3.41Å; Y281-G285 PolarHBondContact O-N 3.12Å | ||
| 286 | Y | 67.8 | Low | 76.6 | Confident | 75 Ų | 75 | 26.4 Ų | 26.4 | 29% | 0.294 | 14% | 0.139 | S | C | . | . | trans | -92.3 | 168.9 | 173.2 | 70.7 | -92.6 | 0 | 0 | 0 | 112 | Y281 E284 | Y281-Y286 WeakPolarHBondContact CB-O 3.27Å; Y281-Y286 AromaticContact CD1-CE1 3.93Å; Y281-Y286 HydrophobicContact CD1-CE1 3.93Å; Y281-Y286 AromaticContact CD1-CE2 3.92Å; Y281-Y286 HydrophobicContact CD1-CE2 3.92Å; Y281-Y286 AromaticContact CD1-CZ 3.43Å; Y281-Y286 VanDerWaalsContact CD1-CZ 3.43Å; Y281-Y286 VanDerWaalsContact CD1-OH 3.29Å; Y281-Y286 WeakPolarHBondContact CD1-OH 3.47Å; Y281-Y286 AromaticContact CD2-CD2 3.74Å; Y281-Y286 HydrophobicContact CD2-CD2 3.74Å; Y281-Y286 HydrophobicContact CD2-CE1 4.49Å; Y281-Y286 AromaticContact CD2-CE2 3.39Å; Y281-Y286 HydrophobicContact CD2-CE2 3.39Å; Y281-Y286 HydrophobicContact CD2-CG 4.43Å; Y281-Y286 AromaticContact CD2-CZ 3.82Å; Y281-Y286 HydrophobicContact CE1-CE1 4.43Å; Y281-Y286 AromaticContact CE1-CE2 3.88Å; Y281-Y286 HydrophobicContact CE1-CE2 3.88Å; Y281-Y286 AromaticContact CE1-CZ 3.52Å; Y281-Y286 WeakPolarHBondContact CE1-OH 3.29Å; Y281-Y286 HydrophobicContact CE2-CD2 4.04Å; Y281-Y286 AromaticContact CE2-CE2 3.36Å; Y281-Y286 HydrophobicContact CE2-CE2 3.36Å; Y281-Y286 AromaticContact CE2-CZ 3.91Å; Y281-Y286 HydrophobicContact CG-CD1 4.38Å; Y281-Y286 HydrophobicContact CG-CD2 4.13Å; Y281-Y286 AromaticContact CG-CE1 3.95Å; Y281-Y286 HydrophobicContact CG-CE1 3.95Å; Y281-Y286 AromaticContact CG-CE2 3.67Å; Y281-Y286 HydrophobicContact CG-CE2 3.67Å; Y281-Y286 HydrophobicContact CG-CG 4.47Å; Y281-Y286 AromaticContact CG-CZ 3.57Å; Y281-Y286 AromaticContact CZ-CE2 3.57Å; Y281-Y286 AromaticContact CZ-CZ 3.74Å; Y281-Y286 PolarHBondContact N-O 3.14Å; E284-Y286 VanDerWaalsContact C-N 3.29Å; E284-Y286 HydrophobicContact CB-CD1 3.49Å; E284-Y286 VanDerWaalsContact CB-CD1 3.49Å; E284-Y286 HydrophobicContact CB-CE1 3.34Å; E284-Y286 HydrophobicContact CG-CE1 3.96Å; E284-Y286 PolarHBondContact O-N 2.98Å | ||
| 287 | T | 74.9 | Confident | 77.4 | Confident | 72 Ų | 72 | 25 Ų | 25 | 44% | 0.442 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 140.5 | 178.6 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | L268 I279 L280 | L268-T287 HydrophobicContact CD1-CG2 3.41Å; L268-T287 VanDerWaalsContact CD1-CG2 3.41Å; I279-T287 CarbonylContact O-C 3.44Å; I279-T287 VanDerWaalsContact O-CA 3.29Å; I279-T287 WeakPolarHBondContact O-CA 3.48Å; L280-T287 HydrophobicContact CD1-CG2 4.17Å |
| 288 | G | 78.7 | Confident | 78 | Confident | 13 Ų | 13 | 25 Ų | 25 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 158.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N278 I279 | N278-G288 WeakPolarHBondContact CA-O 3.38Å; I279-G288 PolarHBondContact N-O 3.45Å; I279-G288 PolarHBondContact O-N 3.33Å |
| 289 | L | 81.2 | Confident | 78.3 | Confident | 91 Ų | 91 | 22.5 Ų | 22.5 | 48% | 0.476 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 116.6 | 172.4 | -73.6 | 168.3 | 0 | 0 | 0 | 110 | L276 M277 N278 | L276-L289 HydrophobicContact CB-CD2 4.21Å; M277-L289 WeakPolarHBondContact O-CA 3.38Å; N278-L289 WeakPolarHBondContact OD1-CD2 3.41Å |
| 290 | I | 79.9 | Confident | 78.4 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.051 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.3 | -179 | -55.5 | -56.4 | 0 | 0 | 0 | 109.4 | F256 A258 L276 M277 I279 Y281 K294 V295 | F256-I290 HydrophobicContact CB-CG2 4.34Å; F256-I290 HydrophobicContact CD2-CD1 4.01Å; F256-I290 HydrophobicContact CD2-CG1 3.88Å; F256-I290 HydrophobicContact CD2-CG2 4.16Å; F256-I290 HydrophobicContact CE2-CD1 3.94Å; F256-I290 HydrophobicContact CE2-CG1 3.98Å; A258-I290 HydrophobicContact CB-CD1 3.87Å; L276-I290 CarbonylContact C-O 3.56Å; L276-I290 WeakPolarHBondContact CA-O 3.13Å; M277-I290 PolarHBondContact N-O 3.31Å; M277-I290 PolarHBondContact O-N 3.38Å; I279-I290 HydrophobicContact CB-CG1 4.06Å; I279-I290 HydrophobicContact CG1-CB 3.92Å; I279-I290 HydrophobicContact CG1-CG1 3.85Å; Y281-I290 HydrophobicContact CE2-CD1 4.5Å; Y281-I290 WeakPolarHBondContact OH-CD1 3.46Å; I290-K294 HydrophobicContact CG2-CB 4.02Å; I290-V295 HydrophobicContact CB-CG2 4.48Å; I290-V295 HydrophobicContact CG2-CG2 3.79Å |
| 291 | R | 75 | Confident | 78.4 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 139 | 172.3 | -68.8 | 169.5 | 39.7 | 173.3 | -7.5 | 110.5 | L78 T80 G275 L276 D293 K294 | L78-R291 HydrophobicContact CD2-CG 4.12Å; L78-R291 PolarHBondContact O-NH1 2.79Å; T80-R291 PolarHBondContact O-NH1 2.99Å; G275-R291 WeakPolarHBondContact O-CA 3.46Å; L276-R291 HydrophobicContact CD2-CB 4.31Å; L276-R291 HydrophobicContact CD2-CG 3.55Å; R291-D293 WeakPolarHBondContact CB-OD1 3.45Å; R291-D293 IonicContact CZ-OD1 2.71Å; R291-D293 IonicContact CZ-OD2 2.95Å; R291-D293 IonicContact NE-OD1 3.26Å; R291-D293 PolarHBondContact NE-OD1 2.79Å; R291-D293 IonicContact NE-OD2 2.84Å; R291-D293 VanDerWaalsContact NH2-CG 3.35Å; R291-D293 IonicContact NH2-OD1 3.7Å; R291-D293 PolarHBondContact NH2-OD1 3.31Å; R291-D293 IonicContact NH2-OD2 3.19Å; R291-D293 PolarHBondContact NH2-OD2 3.09Å; R291-D293 PolarHBondContact O-N 2.86Å; R291-D293 VanDerWaalsContact O-N 3.15Å; R291-K294 WeakPolarHBondContact O-CB 3.17Å; R291-K294 PolarHBondContact O-N 2.81Å |
| 292 | C | 75.5 | Confident | 78.4 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 5% | 0.054 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -55.7 | -35.9 | -175.7 | -61.2 | 0 | 0 | 0 | 0 | 113.8 | L165 P271 G275 M277 K294 V295 | L165-C292 HydrophobicContact CD2-CB 3.8Å; L165-C292 WeakPolarHBondContact CD2-O 3.34Å; P271-C292 WeakPolarHBondContact CB-SG 3.5Å; P271-C292 WeakPolarHBondContact CG-SG 3.42Å; G275-C292 PolarHBondContact O-N 2.81Å; G275-C292 PolarHBondContact O-SG 3.29Å; M277-C292 HydrophobicContact SD-CB 4.34Å; C292-K294 PolarHBondContact O-N 2.83Å; C292-V295 WeakPolarHBondContact O-CB 3.35Å; C292-V295 PolarHBondContact O-N 3.01Å |
| 293 | D | 72.7 | Confident | 78.2 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -68.2 | -15.6 | -179.4 | 64.7 | -60.8 | 0 | 0 | 0 | 113.8 | P166 R242 R291 V295 | P166-D293 HydrophobicContact CG-CB 4.07Å; R242-D293 PolarHBondContact NH1-O 2.83Å; R291-D293 WeakPolarHBondContact CB-OD1 3.45Å; R291-D293 IonicContact CZ-OD1 2.71Å; R291-D293 IonicContact CZ-OD2 2.95Å; R291-D293 IonicContact NE-OD1 3.26Å; R291-D293 PolarHBondContact NE-OD1 2.79Å; R291-D293 IonicContact NE-OD2 2.84Å; R291-D293 VanDerWaalsContact NH2-CG 3.35Å; R291-D293 IonicContact NH2-OD1 3.7Å; R291-D293 PolarHBondContact NH2-OD1 3.31Å; R291-D293 IonicContact NH2-OD2 3.19Å; R291-D293 PolarHBondContact NH2-OD2 3.09Å; R291-D293 PolarHBondContact O-N 2.86Å; R291-D293 VanDerWaalsContact O-N 3.15Å; D293-V295 VanDerWaalsContact C-N 3.35Å |
| 294 | K | 81.9 | Confident | 77.7 | Confident | 41 Ų | 41 | 30.7 Ų | 30.7 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -91.7 | 2.9 | 172.8 | -58.5 | -162.2 | 175.8 | -165.9 | 0 | 112.9 | E82 F256 Y257 I290 R291 C292 F296 | E82-K294 WeakPolarHBondContact OE1-CE 3.48Å; E82-K294 IonicContact OE1-NZ 3.96Å; E82-K294 PolarHBondContact OE1-NZ 2.65Å; F256-K294 CarbonylContact C-O 3.56Å; F256-K294 WeakPolarHBondContact CA-O 3.22Å; F256-K294 WeakPolarHBondContact CB-O 3.17Å; Y257-K294 PolarHBondContact N-O 3.47Å; Y257-K294 VanDerWaalsContact O-CD 3.26Å; Y257-K294 WeakPolarHBondContact O-CD 3.45Å; I290-K294 HydrophobicContact CG2-CB 4.02Å; R291-K294 WeakPolarHBondContact O-CB 3.17Å; R291-K294 PolarHBondContact O-N 2.81Å; C292-K294 PolarHBondContact O-N 2.83Å; K294-F296 VanDerWaalsContact C-CE2 3.47Å; K294-F296 WeakPolarHBondContact O-CD2 3.22Å; K294-F296 WeakPolarHBondContact O-CE2 3.25Å |
| 295 | V | 85.6 | Confident | 76.6 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.6 | -179.4 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | L243 V254 F256 I290 C292 D293 | L243-V295 WeakPolarHBondContact CB-O 3.25Å; L243-V295 HydrophobicContact CD2-CB 4.35Å; L243-V295 HydrophobicContact CD2-CG1 4.04Å; V254-V295 HydrophobicContact CB-CG1 3.55Å; V254-V295 HydrophobicContact CG1-CG1 3.67Å; V254-V295 HydrophobicContact CG2-CG1 3.7Å; F256-V295 HydrophobicContact CB-CG2 4.25Å; I290-V295 HydrophobicContact CB-CG2 4.48Å; I290-V295 HydrophobicContact CG2-CG2 3.79Å; C292-V295 WeakPolarHBondContact O-CB 3.35Å; C292-V295 PolarHBondContact O-N 3.01Å; D293-V295 VanDerWaalsContact C-N 3.35Å |
| 296 | F | 89.3 | Confident | 75.6 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 158.6 | -172.1 | -60 | -95.9 | 0 | 0 | 0 | 109.8 | Y234 K238 L241 V254 A255 W262 K294 L298 | Y234-F296 HydrophobicContact CE1-CB 4.14Å; K238-F296 HydrophobicContact CB-CD1 4.04Å; K238-F296 HydrophobicContact CB-CE1 3.69Å; K238-F296 HydrophobicContact CB-CZ 4.21Å; K238-F296 WeakPolarHBondContact O-CD1 3.35Å; L241-F296 CarbonylContact O-C 3.41Å; L241-F296 WeakPolarHBondContact O-CA 3.41Å; L241-F296 WeakPolarHBondContact O-CB 3.37Å; V254-F296 WeakPolarHBondContact CA-O 3.36Å; V254-F296 WeakPolarHBondContact CB-O 3.46Å; A255-F296 HydrophobicContact CB-CB 4.33Å; A255-F296 PolarHBondContact N-O 2.74Å; A255-F296 PolarHBondContact O-N 3.04Å; W262-F296 AromaticContact CH2-CD2 3.66Å; W262-F296 HydrophobicContact CH2-CD2 3.66Å; W262-F296 HydrophobicContact CH2-CE1 4.49Å; W262-F296 AromaticContact CH2-CE2 3.45Å; W262-F296 HydrophobicContact CH2-CE2 3.45Å; W262-F296 VanDerWaalsContact CH2-CE2 3.45Å; W262-F296 HydrophobicContact CH2-CG 4.28Å; W262-F296 AromaticContact CH2-CZ 3.91Å; W262-F296 HydrophobicContact CH2-CZ 3.91Å; W262-F296 AromaticContact CZ3-CD2 3.45Å; W262-F296 HydrophobicContact CZ3-CD2 3.45Å; W262-F296 VanDerWaalsContact CZ3-CD2 3.45Å; W262-F296 AromaticContact CZ3-CE2 3.68Å; W262-F296 HydrophobicContact CZ3-CE2 3.68Å; W262-F296 HydrophobicContact CZ3-CG 4.15Å; K294-F296 VanDerWaalsContact C-CE2 3.47Å; K294-F296 WeakPolarHBondContact O-CD2 3.22Å; K294-F296 WeakPolarHBondContact O-CE2 3.25Å; F296-L298 PolarHBondContact O-N 2.93Å |
| 297 | H | 88.4 | Confident | 74.5 | Confident | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 132.9 | 171.2 | -79.6 | -60.6 | 0 | 0 | 0 | 110.9 | I177 Y234 L241 R242 D244 | I177-H297 HydrophobicContact CB-CB 4.05Å; I177-H297 HydrophobicContact CD1-CB 4.43Å; I177-H297 HydrophobicContact CG2-CB 3.62Å; Y234-H297 PolarHBondContact OH-O 3.29Å; L241-H297 PolarHBondContact O-N 3.16Å; R242-H297 PolarHBondContact O-CD2 2.81Å; D244-H297 PolarHBondContact N-NE2 3.04Å |
| 298 | L | 89.9 | Confident | 72.7 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 124.7 | 171.7 | -172.6 | 57.9 | 0 | 0 | 0 | 109.5 | I177 T178 F230 Y234 P253 A255 R264 F296 F302 T303 | I177-L298 WeakPolarHBondContact CA-O 3.04Å; T178-L298 PolarHBondContact N-O 2.92Å; F230-L298 HydrophobicContact CE2-CD1 3.75Å; F230-L298 HydrophobicContact CZ-CD1 3.92Å; Y234-L298 VanDerWaalsContact OH-CA 3.25Å; Y234-L298 WeakPolarHBondContact OH-CA 3.19Å; P253-L298 HydrophobicContact CB-CD2 3.88Å; A255-L298 HydrophobicContact CB-CD1 4.27Å; R264-L298 HydrophobicContact CG-CD1 4.21Å; F296-L298 PolarHBondContact O-N 2.93Å; L298-F302 HydrophobicContact CD1-CB 3.87Å; L298-T303 HydrophobicContact CD2-CG2 3.44Å; L298-T303 VanDerWaalsContact CD2-CG2 3.44Å; L298-T303 HydrophobicContact CG-CG2 3.86Å |
| 299 | V | 88.4 | Confident | 70.4 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -71.8 | 137.9 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | F175 D176 F233 Y234 L241 S301 F302 | F175-V299 HydrophobicContact CB-CG1 3.9Å; F175-V299 HydrophobicContact CB-CG2 3.89Å; F175-V299 HydrophobicContact CD1-CG1 4.42Å; F175-V299 HydrophobicContact CG-CG1 4.47Å; F175-V299 HydrophobicContact CG-CG2 4.36Å; D176-V299 WeakPolarHBondContact O-CG1 3.36Å; F233-V299 HydrophobicContact CE1-CB 4.4Å; F233-V299 HydrophobicContact CE1-CG2 3.68Å; F233-V299 HydrophobicContact CZ-CG2 3.87Å; Y234-V299 PolarHBondContact OH-N 3.41Å; L241-V299 HydrophobicContact CD1-CG2 3.73Å; L241-V299 HydrophobicContact CD2-CG2 3.54Å; L241-V299 HydrophobicContact CG-CG2 4.3Å; V299-S301 WeakPolarHBondContact CG1-OG 3.36Å; V299-S301 PolarHBondContact O-N 2.71Å; V299-F302 HydrophobicContact CB-CD2 4.05Å; V299-F302 PolarHBondContact O-N 3.24Å |
| 300 | K | 83.8 | Confident | 68.5 | Low | 123 Ų | 123 | 40.9 Ų | 40.9 | 54% | 0.535 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -58.2 | -30.9 | -175.6 | -167.5 | 178.5 | -178.7 | -179.6 | 0 | 113 | D176 T178 F302 T303 S304 | D176-K300 HydrophobicContact CB-CB 4.19Å; D176-K300 WeakPolarHBondContact O-CB 3.3Å; D176-K300 PolarHBondContact O-N 3.42Å; T178-K300 WeakPolarHBondContact OG1-CA 3.32Å; K300-F302 VanDerWaalsContact C-N 3.29Å; K300-F302 PolarHBondContact O-N 3.47Å; K300-T303 WeakPolarHBondContact CA-OG1 3.42Å; K300-T303 WeakPolarHBondContact O-CA 3.39Å; K300-T303 WeakPolarHBondContact O-CB 3.18Å; K300-T303 PolarHBondContact O-N 2.94Å; K300-T303 PolarHBondContact O-OG1 3.18Å; K300-S304 PolarHBondContact O-N 3.35Å |
| 301 | S | 80.2 | Confident | 66.4 | Low | 49 Ų | 49 | 50.2 Ų | 50.2 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -59.7 | -36.3 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | V299 T303 S304 W307 | V299-S301 WeakPolarHBondContact CG1-OG 3.36Å; V299-S301 PolarHBondContact O-N 2.71Å; S301-T303 PolarHBondContact O-N 3.02Å; S301-S304 PolarHBondContact O-N 3.07Å; S301-S304 VanDerWaalsContact O-N 3.14Å; S301-S304 PolarHBondContact O-OG 3.3Å; S301-W307 VanDerWaalsContact O-CD1 3.26Å |
| 302 | F | 80.3 | Confident | 64.7 | Low | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -78.5 | 0.4 | 175.2 | -64.1 | -66.7 | 0 | 0 | 0 | 113.9 | F226 F230 F233 Y234 R264 L298 V299 K300 W307 | F226-F302 AromaticContact CE2-CD1 3.75Å; F226-F302 HydrophobicContact CE2-CD1 3.75Å; F226-F302 HydrophobicContact CZ-CD1 4.14Å; F230-F302 HydrophobicContact CD2-CB 4.23Å; F230-F302 AromaticContact CD2-CD1 3.6Å; F230-F302 HydrophobicContact CD2-CD1 3.6Å; F230-F302 AromaticContact CD2-CD2 3.95Å; F230-F302 HydrophobicContact CD2-CD2 3.95Å; F230-F302 AromaticContact CD2-CE1 3.82Å; F230-F302 HydrophobicContact CD2-CE1 3.82Å; F230-F302 HydrophobicContact CD2-CE2 4.19Å; F230-F302 AromaticContact CD2-CG 3.65Å; F230-F302 HydrophobicContact CD2-CG 3.65Å; F230-F302 HydrophobicContact CD2-CZ 4.11Å; F230-F302 HydrophobicContact CE2-CB 3.94Å; F230-F302 HydrophobicContact CE2-CD1 4.17Å; F230-F302 AromaticContact CE2-CD2 3.91Å; F230-F302 HydrophobicContact CE2-CD2 3.91Å; F230-F302 HydrophobicContact CE2-CE2 4.47Å; F230-F302 AromaticContact CE2-CG 3.74Å; F230-F302 HydrophobicContact CE2-CG 3.74Å; F233-F302 HydrophobicContact CB-CE2 4.12Å; F233-F302 HydrophobicContact CB-CZ 3.74Å; F233-F302 HydrophobicContact CD1-CD2 4.49Å; F233-F302 AromaticContact CD1-CE2 3.42Å; F233-F302 HydrophobicContact CD1-CE2 3.42Å; F233-F302 VanDerWaalsContact CD1-CE2 3.42Å; F233-F302 AromaticContact CD1-CZ 3.96Å; F233-F302 HydrophobicContact CD1-CZ 3.96Å; F233-F302 HydrophobicContact CD2-CE2 4.16Å; F233-F302 HydrophobicContact CD2-CZ 4.21Å; F233-F302 AromaticContact CE1-CE2 3.77Å; F233-F302 HydrophobicContact CE1-CE2 3.77Å; F233-F302 HydrophobicContact CE2-CE2 4.47Å; F233-F302 AromaticContact CG-CE2 3.63Å; F233-F302 HydrophobicContact CG-CE2 3.63Å; F233-F302 AromaticContact CG-CZ 3.7Å; F233-F302 HydrophobicContact CG-CZ 3.7Å; F233-F302 HydrophobicContact CZ-CE2 4.3Å; Y234-F302 AromaticContact CE2-CD2 3.98Å; Y234-F302 HydrophobicContact CE2-CD2 3.98Å; Y234-F302 HydrophobicContact CE2-CE2 4.01Å; R264-F302 PolarHBondContact NH1-O 3.5Å; L298-F302 HydrophobicContact CD1-CB 3.87Å; V299-F302 HydrophobicContact CB-CD2 4.05Å; V299-F302 PolarHBondContact O-N 3.24Å; K300-F302 VanDerWaalsContact C-N 3.29Å; K300-F302 PolarHBondContact O-N 3.47Å; F302-W307 HydrophobicContact CD1-CG 4.46Å |
| 303 | T | 71 | Confident | 63.2 | Low | 22 Ų | 22 | 56.1 Ų | 56.1 | 14% | 0.135 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -102.6 | -12.3 | 168.3 | 70 | 0 | 0 | 0 | 0 | 112.8 | T178 F182 L298 K300 S301 N308 | T178-T303 HydrophobicContact CG2-CG2 4.13Å; T178-T303 VanDerWaalsContact OG1-CG2 3.25Å; T178-T303 WeakPolarHBondContact OG1-CG2 3.22Å; T178-T303 PolarHBondContact OG1-OG1 2.96Å; F182-T303 HydrophobicContact CD2-CG2 4.27Å; F182-T303 HydrophobicContact CE2-CG2 4.16Å; L298-T303 HydrophobicContact CD2-CG2 3.44Å; L298-T303 VanDerWaalsContact CD2-CG2 3.44Å; L298-T303 HydrophobicContact CG-CG2 3.86Å; K300-T303 WeakPolarHBondContact CA-OG1 3.42Å; K300-T303 WeakPolarHBondContact O-CA 3.39Å; K300-T303 WeakPolarHBondContact O-CB 3.18Å; K300-T303 PolarHBondContact O-N 2.94Å; K300-T303 PolarHBondContact O-OG1 3.18Å; S301-T303 PolarHBondContact O-N 3.02Å; T303-N308 PolarHBondContact O-ND2 2.86Å |
| 304 | S | 60.5 | Low | 62.1 | Low | 36 Ų | 36 | 56.4 Ų | 56.4 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -77.6 | 155.1 | -173.1 | 81.8 | 0 | 0 | 0 | 0 | 112.4 | K300 S301 E306 W307 N308 | K300-S304 PolarHBondContact O-N 3.35Å; S301-S304 PolarHBondContact O-N 3.07Å; S301-S304 VanDerWaalsContact O-N 3.14Å; S301-S304 PolarHBondContact O-OG 3.3Å; S304-E306 PolarHBondContact O-N 2.78Å; S304-E306 PolarHBondContact OG-N 2.9Å; S304-W307 PolarHBondContact O-N 2.82Å; S304-N308 WeakPolarHBondContact O-CB 3.38Å; S304-N308 PolarHBondContact O-N 2.79Å |
| 305 | N | 44.2 | Very low | 60.8 | Low | 107 Ų | 107 | 55.5 Ų | 55.5 | 57% | 0.572 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -16.3 | 174.6 | -74.6 | 4.9 | 0 | 0 | 0 | 114.3 | N308 | N305-N308 CarbonylContact O-C 3.59Å; N305-N308 VanDerWaalsContact O-C 3.23Å |
| 306 | E | 39 | Very low | 60 | Low | 161 Ų | 161 | 57 Ų | 57 | 75% | 0.752 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -35.5 | -174.9 | -66.1 | 179 | 163.1 | 0 | 0 | 113 | S304 N308 | S304-E306 PolarHBondContact O-N 2.78Å; S304-E306 PolarHBondContact OG-N 2.9Å; E306-N308 VanDerWaalsContact C-N 3.31Å |
| 307 | W | 43.5 | Very low | 59.4 | Low | 106 Ų | 106 | 56.8 Ų | 56.8 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -14.6 | 167.8 | -69 | 93.8 | 0 | 0 | 0 | 112 | F226 A229 S301 F302 S304 C309 | F226-W307 HydrophobicContact CD2-CB 4.02Å; F226-W307 HydrophobicContact CD2-CE3 4.08Å; F226-W307 HydrophobicContact CE2-CB 4.03Å; A229-W307 HydrophobicContact CB-CE3 4.48Å; A229-W307 HydrophobicContact CB-CH2 3.64Å; A229-W307 HydrophobicContact CB-CZ3 3.52Å; S301-W307 VanDerWaalsContact O-CD1 3.26Å; F302-W307 HydrophobicContact CD1-CG 4.46Å; S304-W307 PolarHBondContact O-N 2.82Å; W307-C309 VanDerWaalsContact C-N 3.28Å; W307-C309 PolarHBondContact O-N 2.95Å |
| 308 | N | 38.3 | Very low | 59.1 | Low | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | trans | -87.5 | 64.1 | 167.4 | -79.2 | -13.9 | 0 | 0 | 0 | 110.3 | R264 T303 S304 N305 E306 W310 | R264-N308 PolarHBondContact NH1-OD1 2.82Å; R264-N308 VanDerWaalsContact NH1-OD1 3.14Å; T303-N308 PolarHBondContact O-ND2 2.86Å; S304-N308 WeakPolarHBondContact O-CB 3.38Å; S304-N308 PolarHBondContact O-N 2.79Å; N305-N308 CarbonylContact O-C 3.59Å; N305-N308 VanDerWaalsContact O-C 3.23Å; E306-N308 VanDerWaalsContact C-N 3.31Å; N308-W310 VanDerWaalsContact CB-CD1 3.41Å; N308-W310 HydrophobicContact CB-CG 4.37Å; N308-W310 CarbonylContact O-C 3.56Å; N308-W310 WeakPolarHBondContact O-CA 3.5Å; N308-W310 PolarHBondContact O-N 2.84Å; N308-W310 PolarHBondContact OD1-NE1 3.05Å | ||
| 309 | C | 30.9 | Very low | 58.8 | Low | 77 Ų | 77 | 59 Ų | 59 | 52% | 0.52 | 29% | 0.294 | S | S | . | . | trans | -56.3 | 1.9 | 169.2 | -49.3 | 0 | 0 | 0 | 0 | 113.8 | W307 K311 | W307-C309 VanDerWaalsContact C-N 3.28Å; W307-C309 PolarHBondContact O-N 2.95Å; C309-K311 PolarHBondContact O-N 3.31Å | ||
| 310 | W | 40.4 | Very low | 58.7 | Low | 29 Ų | 29 | 63 Ų | 63 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | trans | -52.7 | 74.7 | 156.9 | -43.2 | 106.1 | 0 | 0 | 0 | 112.2 | W219 N308 N312 | W219-W310 HydrophobicContact CB-CE3 4.2Å; W219-W310 HydrophobicContact CB-CH2 3.72Å; W219-W310 HydrophobicContact CB-CZ3 3.34Å; W219-W310 AromaticContact CD2-CE3 3.85Å; W219-W310 HydrophobicContact CD2-CE3 3.85Å; W219-W310 AromaticContact CD2-CZ3 3.46Å; W219-W310 HydrophobicContact CD2-CZ3 3.46Å; W219-W310 VanDerWaalsContact CD2-CZ3 3.46Å; W219-W310 HydrophobicContact CE3-CE3 4.07Å; W219-W310 AromaticContact CE3-CZ3 3.47Å; W219-W310 HydrophobicContact CE3-CZ3 3.47Å; W219-W310 VanDerWaalsContact CE3-CZ3 3.47Å; W219-W310 AromaticContact CG-CE3 3.92Å; W219-W310 HydrophobicContact CG-CE3 3.92Å; W219-W310 HydrophobicContact CG-CH2 4.31Å; W219-W310 AromaticContact CG-CZ3 3.44Å; W219-W310 HydrophobicContact CG-CZ3 3.44Å; W219-W310 VanDerWaalsContact CG-CZ3 3.44Å; W219-W310 HydrophobicContact CZ3-CZ3 4.41Å; N308-W310 VanDerWaalsContact CB-CD1 3.41Å; N308-W310 HydrophobicContact CB-CG 4.37Å; N308-W310 CarbonylContact O-C 3.56Å; N308-W310 WeakPolarHBondContact O-CA 3.5Å; N308-W310 PolarHBondContact O-N 2.84Å; N308-W310 PolarHBondContact OD1-NE1 3.05Å; W310-N312 WeakPolarHBondContact CB-O 3.47Å; W310-N312 PolarHBondContact O-N 2.69Å | ||
| 311 | K | 35.7 | Very low | 58.8 | Low | 206 Ų | 206 | 57.6 Ų | 57.6 | 90% | 0.896 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -70.6 | 11.2 | 147.5 | -107.6 | -171.4 | 178.9 | -175.2 | 0 | 112.9 | C309 | C309-K311 PolarHBondContact O-N 3.31Š|
| 312 | N | 39.1 | Very low | 58.5 | Low | 73 Ų | 73 | 57 Ų | 57 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -128.9 | 96.7 | 156.8 | -76.7 | -22.7 | 0 | 0 | 0 | 107.5 | P189 W219 W310 D314 | P189-N312 HydrophobicContact CG-CB 4.27Å; W219-N312 HydrophobicContact CH2-CB 4.11Å; W219-N312 HydrophobicContact CZ2-CB 3.3Å; W310-N312 WeakPolarHBondContact CB-O 3.47Å; W310-N312 PolarHBondContact O-N 2.69Å; N312-D314 PolarHBondContact O-N 2.77Å |
| 313 | E | 43.7 | Very low | 58 | Low | 80 Ų | 80 | 57.9 Ų | 57.9 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | trans | -74.6 | 47.5 | -168.4 | -66.5 | -177.2 | 133.9 | 0 | 0 | 114.5 | K186 | K186-E313 HydrophobicContact CB-CB 4.46Å; K186-E313 WeakPolarHBondContact CD-OE1 3.16Å; K186-E313 WeakPolarHBondContact CD-OE2 3.4Å; K186-E313 IonicContact NZ-OE1 2.8Å; K186-E313 PolarHBondContact NZ-OE1 2.78Å; K186-E313 IonicContact NZ-OE2 3.72Å | ||
| 314 | D | 49.8 | Very low | 58 | Low | 18 Ų | 18 | 57.3 Ų | 57.3 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | trans | -139.2 | 125 | 158.3 | -71.7 | -47.1 | 0 | 0 | 0 | 108.5 | S188 P189 W219 N312 F316 | S188-D314 WeakPolarHBondContact CA-OD2 3.29Å; S188-D314 WeakPolarHBondContact CB-OD2 3.21Å; S188-D314 PolarHBondContact OG-OD2 3.06Å; P189-D314 WeakPolarHBondContact CD-OD2 3.34Å; W219-D314 VanDerWaalsContact CE3-O 3.29Å; W219-D314 WeakPolarHBondContact CH2-O 3.47Å; W219-D314 WeakPolarHBondContact CZ3-O 3.27Å; N312-D314 PolarHBondContact O-N 2.77Å; D314-F316 WeakPolarHBondContact CB-O 3.47Å; D314-F316 PolarHBondContact O-N 2.95Å; D314-F316 VanDerWaalsContact O-N 3.13Å | ||
| 315 | S | 55.7 | Low | 58.4 | Low | 23 Ų | 23 | 59.8 Ų | 59.8 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -68.5 | -9.3 | 170.5 | -45.9 | 0 | 0 | 0 | 0 | 112.6 | T215 | T215-S315 WeakPolarHBondContact CG2-O 3.46Å; T215-S315 PolarHBondContact OG1-O 3Å; T215-S315 VanDerWaalsContact OG1-O 3.09Å |
| 316 | F | 68.9 | Low | 59.7 | Low | 32 Ų | 32 | 57.1 Ų | 57.1 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -145.4 | 140.2 | -176.8 | -42.3 | -83.5 | 0 | 0 | 0 | 111.9 | L213 A214 T215 L282 D283 E284 D314 | L213-F316 HydrophobicContact CD1-CB 3.41Å; L213-F316 VanDerWaalsContact CD1-CB 3.41Å; L213-F316 HydrophobicContact CD1-CG 3.97Å; L213-F316 HydrophobicContact CD2-CB 4.41Å; L213-F316 HydrophobicContact CD2-CD1 4.1Å; L213-F316 HydrophobicContact CD2-CG 4.12Å; L213-F316 HydrophobicContact CG-CB 3.73Å; L213-F316 HydrophobicContact CG-CD1 4.03Å; L213-F316 HydrophobicContact CG-CG 3.95Å; A214-F316 CarbonylContact O-C 3.6Å; A214-F316 WeakPolarHBondContact O-CA 3.37Å; T215-F316 VanDerWaalsContact OG1-CD1 3.22Å; T215-F316 WeakPolarHBondContact OG1-CD1 3.4Å; L282-F316 WeakPolarHBondContact O-CE2 3.47Å; L282-F316 WeakPolarHBondContact O-CZ 3.11Å; D283-F316 VanDerWaalsContact C-CE1 3.5Å; D283-F316 WeakPolarHBondContact O-CE1 3.26Å; D283-F316 VanDerWaalsContact O-CZ 3.22Å; D283-F316 WeakPolarHBondContact O-CZ 3.4Å; E284-F316 VanDerWaalsContact CA-CE1 3.5Å; E284-F316 WeakPolarHBondContact O-CE1 3.48Å; D314-F316 WeakPolarHBondContact CB-O 3.47Å; D314-F316 PolarHBondContact O-N 2.95Å; D314-F316 VanDerWaalsContact O-N 3.13Å |
| 317 | L | 75.5 | Confident | 61.3 | Low | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 125.6 | 164.5 | -55.2 | 176.5 | 0 | 0 | 0 | 107.9 | L199 V201 L213 A214 P216 W219 F319 M352 Y360 | L199-L317 HydrophobicContact CD1-CD1 3.64Å; L199-L317 HydrophobicContact CD2-CD1 4.48Å; V201-L317 HydrophobicContact CG1-CD1 4.23Å; L213-L317 WeakPolarHBondContact CA-O 3.35Å; A214-L317 PolarHBondContact N-O 3.1Å; A214-L317 PolarHBondContact O-N 3.34Å; P216-L317 HydrophobicContact CG-CD1 3.7Å; P216-L317 HydrophobicContact CG-CG 4.01Å; W219-L317 HydrophobicContact CH2-CD2 4Å; W219-L317 HydrophobicContact CH2-CG 4.42Å; W219-L317 HydrophobicContact CZ3-CD2 4.4Å; W219-L317 HydrophobicContact CZ3-CG 4.42Å; L317-F319 HydrophobicContact CB-CD1 4.42Å; L317-M352 HydrophobicContact CD1-SD 4.1Å; L317-Y360 HydrophobicContact CB-CD2 4.15Å; L317-Y360 HydrophobicContact CB-CE2 4.44Å; L317-Y360 HydrophobicContact CD2-CD2 3.95Å; L317-Y360 HydrophobicContact CD2-CE2 3.45Å; L317-Y360 VanDerWaalsContact CD2-CE2 3.45Å; L317-Y360 HydrophobicContact CG-CE2 4.48Å |
| 318 | I | 82.8 | Confident | 62.8 | Low | 57 Ų | 57 | 51.3 Ų | 51.3 | 29% | 0.292 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122 | 160.8 | -61 | 172.2 | 0 | 0 | 0 | 106.3 | F212 L213 V359 Y360 | F212-I318 WeakPolarHBondContact O-CA 3.22Å; L213-I318 HydrophobicContact CD1-CD1 4.44Å; L213-I318 HydrophobicContact CD1-CG1 3.56Å; I318-V359 HydrophobicContact CG2-CG2 4.29Å; I318-Y360 PolarHBondContact O-N 3.42Å |
| 319 | F | 83.3 | Confident | 64.8 | Low | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.1 | 179 | 69.2 | -104 | 0 | 0 | 0 | 114.6 | V201 I203 V211 F212 A214 L317 L321 F350 Y360 L364 | V201-F319 HydrophobicContact CG2-CE1 4.47Å; I203-F319 HydrophobicContact CD1-CE1 4Å; I203-F319 HydrophobicContact CD1-CZ 3.61Å; V211-F319 WeakPolarHBondContact CA-O 3.23Å; F212-F319 HydrophobicContact CB-CD1 4.3Å; F212-F319 HydrophobicContact CB-CD2 4.13Å; F212-F319 HydrophobicContact CB-CE1 3.85Å; F212-F319 HydrophobicContact CB-CE2 3.63Å; F212-F319 HydrophobicContact CB-CG 4.44Å; F212-F319 HydrophobicContact CB-CZ 3.48Å; F212-F319 VanDerWaalsContact CB-CZ 3.48Å; F212-F319 HydrophobicContact CD2-CD2 4.01Å; F212-F319 AromaticContact CD2-CE2 3.4Å; F212-F319 HydrophobicContact CD2-CE2 3.4Å; F212-F319 HydrophobicContact CD2-CZ 4.01Å; F212-F319 HydrophobicContact CE2-CE2 4.31Å; F212-F319 HydrophobicContact CG-CD2 4.45Å; F212-F319 AromaticContact CG-CE2 3.69Å; F212-F319 HydrophobicContact CG-CE2 3.69Å; F212-F319 AromaticContact CG-CZ 3.81Å; F212-F319 HydrophobicContact CG-CZ 3.81Å; F212-F319 PolarHBondContact N-O 3.33Å; F212-F319 PolarHBondContact O-N 3.43Å; A214-F319 HydrophobicContact CB-CD1 4.27Å; A214-F319 HydrophobicContact CB-CE1 3.53Å; A214-F319 HydrophobicContact CB-CZ 4.46Å; L317-F319 HydrophobicContact CB-CD1 4.42Å; F319-L321 HydrophobicContact CD2-CD2 4.19Å; F319-L321 HydrophobicContact CE2-CD2 3.83Å; F319-L321 HydrophobicContact CE2-CG 4.46Å; F319-F350 HydrophobicContact CB-CE1 3.58Å; F319-F350 HydrophobicContact CB-CE2 4.05Å; F319-F350 HydrophobicContact CB-CZ 3.31Å; F319-F350 AromaticContact CD1-CD1 3.96Å; F319-F350 HydrophobicContact CD1-CD1 3.96Å; F319-F350 HydrophobicContact CD1-CD2 4.47Å; F319-F350 AromaticContact CD1-CE1 3.75Å; F319-F350 HydrophobicContact CD1-CE1 3.75Å; F319-F350 HydrophobicContact CD1-CE2 4.35Å; F319-F350 HydrophobicContact CD1-CG 4.33Å; F319-F350 HydrophobicContact CD1-CZ 4.03Å; F319-F350 HydrophobicContact CD2-CD2 4.02Å; F319-F350 HydrophobicContact CD2-CE1 4.31Å; F319-F350 AromaticContact CD2-CE2 3.54Å; F319-F350 HydrophobicContact CD2-CE2 3.54Å; F319-F350 AromaticContact CD2-CZ 3.74Å; F319-F350 HydrophobicContact CD2-CZ 3.74Å; F319-F350 HydrophobicContact CE1-CD1 4.26Å; F319-F350 HydrophobicContact CE1-CD2 4.44Å; F319-F350 HydrophobicContact CE1-CE1 4.47Å; F319-F350 HydrophobicContact CE1-CG 4.26Å; F319-F350 HydrophobicContact CE2-CD2 4.03Å; F319-F350 HydrophobicContact CE2-CE2 4Å; F319-F350 HydrophobicContact CG-CD1 4.23Å; F319-F350 HydrophobicContact CG-CD2 4.26Å; F319-F350 AromaticContact CG-CE1 3.64Å; F319-F350 HydrophobicContact CG-CE1 3.64Å; F319-F350 AromaticContact CG-CE2 3.74Å; F319-F350 HydrophobicContact CG-CE2 3.74Å; F319-F350 AromaticContact CG-CZ 3.44Å; F319-F350 HydrophobicContact CG-CZ 3.44Å; F319-F350 VanDerWaalsContact CG-CZ 3.44Å; F319-F350 HydrophobicContact CZ-CD2 4.24Å; F319-F350 HydrophobicContact CZ-CG 4.43Å; F319-Y360 CarbonylContact C-O 3.23Å; F319-Y360 WeakPolarHBondContact CA-O 3.38Å; F319-Y360 WeakPolarHBondContact CB-O 3.38Å; F319-L364 HydrophobicContact CE2-CD1 4.41Å; F319-L364 HydrophobicContact CE2-CD2 4.33Å; F319-L364 HydrophobicContact CZ-CD1 3.94Å; F319-L364 HydrophobicContact CZ-CD2 4.21Å |
| 320 | Y | 86.8 | Confident | 67.1 | Low | 87 Ų | 87 | 56 Ų | 56 | 34% | 0.341 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.4 | 174.5 | -69.5 | -111.8 | 0 | 0 | 0 | 109.3 | H210 V211 V359 Y360 E361 G362 | H210-Y320 AromaticContact CD2-CD1 3.64Å; H210-Y320 AromaticContact NE2-CD1 3.77Å; H210-Y320 AromaticContact NE2-CE1 3.96Å; H210-Y320 CarbonylContact O-C 3.54Å; H210-Y320 WeakPolarHBondContact O-CA 3.42Å; V211-Y320 HydrophobicContact CB-CE1 4.44Å; V211-Y320 HydrophobicContact CG1-CE1 4.32Å; V211-Y320 HydrophobicContact CG1-CE2 4.11Å; V211-Y320 HydrophobicContact CG2-CD1 3.52Å; V211-Y320 HydrophobicContact CG2-CE1 3.29Å; V211-Y320 HydrophobicContact CG2-CE2 4.46Å; V211-Y320 HydrophobicContact CG2-CG 4.2Å; Y320-V359 HydrophobicContact CD2-CG1 3.08Å; Y320-V359 HydrophobicContact CE2-CB 4.34Å; Y320-V359 HydrophobicContact CE2-CG1 3.17Å; Y320-V359 HydrophobicContact CE2-CG2 4.27Å; Y320-V359 HydrophobicContact CG-CG1 4.31Å; Y320-Y360 PolarHBondContact N-O 3.36Å; Y320-E361 WeakPolarHBondContact O-CA 3.34Å; Y320-G362 PolarHBondContact O-N 2.96Å |
| 321 | L | 84.2 | Confident | 69 | Low | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.5 | 170.1 | -63.4 | -177.9 | 0 | 0 | 0 | 110.3 | H210 F212 F319 L324 G362 L364 W381 | H210-L321 HydrophobicContact CB-CB 4.38Å; H210-L321 PolarHBondContact O-N 3Å; F212-L321 HydrophobicContact CD2-CD1 4.37Å; F212-L321 HydrophobicContact CD2-CG 4.18Å; F212-L321 HydrophobicContact CE2-CD1 3.45Å; F212-L321 VanDerWaalsContact CE2-CD1 3.45Å; F212-L321 HydrophobicContact CE2-CD2 4.47Å; F212-L321 HydrophobicContact CE2-CG 3.69Å; F212-L321 HydrophobicContact CZ-CD1 4.03Å; F319-L321 HydrophobicContact CD2-CD2 4.19Å; F319-L321 HydrophobicContact CE2-CD2 3.83Å; F319-L321 HydrophobicContact CE2-CG 4.46Å; L321-L324 HydrophobicContact CB-CD1 3.84Å; L321-L324 HydrophobicContact CB-CG 4.29Å; L321-L324 HydrophobicContact CD1-CD1 3.82Å; L321-L324 HydrophobicContact CG-CD1 4.5Å; L321-G362 WeakPolarHBondContact CA-O 2.81Å; L321-L364 HydrophobicContact CD2-CB 3.51Å; L321-W381 HydrophobicContact CD1-CE3 4.44Å; L321-W381 HydrophobicContact CD1-CH2 3.75Å; L321-W381 HydrophobicContact CD1-CZ3 3.39Å |
| 322 | L | 75.4 | Confident | 71.1 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 143.6 | 174.8 | -73.7 | 174.4 | 0 | 0 | 0 | 111.1 | L324 T353 E361 G362 Y363 | L322-L324 VanDerWaalsContact C-N 3.34Å; L322-T353 WeakPolarHBondContact CD1-OG1 3.32Å; L322-E361 HydrophobicContact CD1-CB 4.41Å; L322-E361 HydrophobicContact CD2-CB 3.88Å; L322-E361 WeakPolarHBondContact CD2-OE2 3.47Å; L322-E361 HydrophobicContact CG-CB 3.98Å; L322-G362 PolarHBondContact N-O 3.4Å; L322-Y363 HydrophobicContact CB-CE1 3.98Å; L322-Y363 HydrophobicContact CD1-CE2 4.13Å |
| 323 | G | 69 | Low | 73.2 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 0.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 324 | L | 71.6 | Confident | 75 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.3 | 176.4 | -58.8 | -173.7 | 0 | 0 | 0 | 110.9 | H210 L321 L322 W331 W381 V382 V387 | H210-L324 HydrophobicContact CB-CB 3.85Å; H210-L324 HydrophobicContact CB-CD1 4.14Å; L321-L324 HydrophobicContact CB-CD1 3.84Å; L321-L324 HydrophobicContact CB-CG 4.29Å; L321-L324 HydrophobicContact CD1-CD1 3.82Å; L321-L324 HydrophobicContact CG-CD1 4.5Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L324-W331 HydrophobicContact CB-CH2 4.46Å; L324-W381 HydrophobicContact CD1-CE3 3.64Å; L324-W381 HydrophobicContact CD1-CZ3 3.76Å; L324-V382 HydrophobicContact CD2-CG2 4.4Å; L324-V387 HydrophobicContact CD2-CB 3.93Å; L324-V387 HydrophobicContact CD2-CG1 4.02Å; L324-V387 HydrophobicContact CD2-CG2 3.6Å |
| 325 | L | 68.4 | Low | 76.3 | Confident | 87 Ų | 87 | 51.4 Ų | 51.4 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146 | 170.7 | -71.9 | 172.7 | 0 | 0 | 0 | 109.8 | W331 F390 | L325-W331 VanDerWaalsContact C-CH2 3.43Å; L325-W331 VanDerWaalsContact C-CZ2 3.45Å; L325-W331 WeakPolarHBondContact O-CH2 3.25Å; L325-F390 HydrophobicContact CD1-CB 4.02Å; L325-F390 HydrophobicContact CD1-CD2 4.28Å; L325-F390 HydrophobicContact CD1-CG 4.29Å |
| 326 | P | 71.5 | Confident | 77.8 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 34% | 0.338 | 29% | 0.294 | S | S | . | . | trans | -59 | 143.9 | 170.7 | 23.6 | -31.1 | 0 | 0 | 0 | 110 | W331 | P326-W331 HydrophobicContact CB-CD2 4.1Å; P326-W331 HydrophobicContact CB-CG 4.25Å; P326-W331 HydrophobicContact CB-CZ2 4.13Å; P326-W331 VanDerWaalsContact N-CZ2 3.28Å | ||
| 327 | P | 73 | Confident | 78.5 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | trans | -52.5 | 160.2 | 162.6 | -22.9 | 31.7 | 0 | 0 | 0 | 111.5 | D329 G330 | P327-D329 PolarHBondContact O-N 3.08Å; P327-D329 VanDerWaalsContact O-N 3.08Å; P327-G330 WeakPolarHBondContact CB-O 3.46Å; P327-G330 WeakPolarHBondContact CD-O 3.44Å; P327-G330 WeakPolarHBondContact CG-O 3.46Å; P327-G330 WeakPolarHBondContact O-CA 3.42Å; P327-G330 PolarHBondContact O-N 2.9Å | ||
| 328 | P | 75.7 | Confident | 78.6 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -32.6 | 179.5 | -27.2 | 34.9 | 0 | 0 | 0 | 114.4 | G330 | P328-G330 VanDerWaalsContact C-N 3.31Š|
| 329 | D | 79.5 | Confident | 78.7 | Confident | 168 Ų | 168 | 57.8 Ų | 57.8 | 90% | 0.898 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 5 | 179.6 | -59.3 | -42 | 0 | 0 | 0 | 113.3 | P327 | P327-D329 PolarHBondContact O-N 3.08Å; P327-D329 VanDerWaalsContact O-N 3.08Å |
| 330 | G | 79.7 | Confident | 78.8 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | trans | 90.8 | -178.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P327 P328 | P327-G330 WeakPolarHBondContact CB-O 3.46Å; P327-G330 WeakPolarHBondContact CD-O 3.44Å; P327-G330 WeakPolarHBondContact CG-O 3.46Å; P327-G330 WeakPolarHBondContact O-CA 3.42Å; P327-G330 PolarHBondContact O-N 2.9Å; P328-G330 VanDerWaalsContact C-N 3.31Å | ||
| 331 | W | 79.5 | Confident | 78.7 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 10% | 0.095 | 35% | 0.348 | C | S | . | . | trans | -73.7 | 128.2 | 179 | -68.9 | 112.4 | 0 | 0 | 0 | 111.2 | E208 P209 H210 L324 L325 P326 A335 Y336 V387 | E208-W331 PolarHBondContact OE2-NE1 2.72Å; P209-W331 HydrophobicContact CB-CD2 3.9Å; P209-W331 HydrophobicContact CB-CE3 3.98Å; P209-W331 HydrophobicContact CB-CG 4.43Å; P209-W331 HydrophobicContact CB-CH2 4.44Å; P209-W331 HydrophobicContact CB-CZ2 4.34Å; P209-W331 HydrophobicContact CB-CZ3 4.28Å; P209-W331 HydrophobicContact CG-CB 3.95Å; P209-W331 HydrophobicContact CG-CD2 3.58Å; P209-W331 HydrophobicContact CG-CE3 3.87Å; P209-W331 HydrophobicContact CG-CG 3.64Å; H210-W331 HydrophobicContact CB-CZ2 4.21Å; H210-W331 AromaticContact CE1-NE1 3.56Å; H210-W331 AromaticContact CG-CZ2 3.99Å; H210-W331 AromaticContact ND1-CE2 3.52Å; H210-W331 AromaticContact ND1-CZ2 3.34Å; H210-W331 VanDerWaalsContact ND1-CZ2 3.34Å; H210-W331 WeakPolarHBondContact ND1-CZ2 3.49Å; H210-W331 AromaticContact ND1-NE1 3.24Å; H210-W331 PolarHBondContact ND1-NE1 3.1Å; L324-W331 HydrophobicContact CB-CH2 4.46Å; L325-W331 VanDerWaalsContact C-CH2 3.43Å; L325-W331 VanDerWaalsContact C-CZ2 3.45Å; L325-W331 WeakPolarHBondContact O-CH2 3.25Å; P326-W331 HydrophobicContact CB-CD2 4.1Å; P326-W331 HydrophobicContact CB-CG 4.25Å; P326-W331 HydrophobicContact CB-CZ2 4.13Å; P326-W331 VanDerWaalsContact N-CZ2 3.28Å; W331-A335 HydrophobicContact CE3-CB 4.23Å; W331-Y336 HydrophobicContact CB-CD2 4.13Å; W331-Y336 HydrophobicContact CB-CE2 3.38Å; W331-Y336 HydrophobicContact CG-CE2 4.35Å; W331-V387 HydrophobicContact CE3-CG1 4.47Å; W331-V387 HydrophobicContact CH2-CB 4.15Å; W331-V387 HydrophobicContact CH2-CG1 3.59Å; W331-V387 HydrophobicContact CZ3-CB 3.97Å; W331-V387 HydrophobicContact CZ3-CG1 3.31Å | ||
| 332 | P | 81.1 | Confident | 78.6 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 31% | 0.312 | 35% | 0.351 | S | S | . | . | trans | -66.4 | 151.9 | 172.2 | 29.6 | -34 | 0 | 0 | 0 | 110.2 | E334 A335 Y336 | P332-E334 WeakPolarHBondContact CB-OE2 3.36Å; P332-E334 PolarHBondContact O-N 3.15Å; P332-A335 HydrophobicContact CG-CB 3.92Å; P332-A335 WeakPolarHBondContact O-CB 3.2Å; P332-A335 PolarHBondContact O-N 2.97Å; P332-Y336 WeakPolarHBondContact O-CD2 3.34Å | ||
| 333 | L | 82.2 | Confident | 79.1 | Confident | 114 Ų | 114 | 64 Ų | 64 | 60% | 0.597 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -58.2 | -36.9 | -179.2 | -178.5 | 64 | 0 | 0 | 0 | 111.2 | A335 Y336 E337 | L333-A335 PolarHBondContact O-N 3.41Å; L333-Y336 WeakPolarHBondContact O-CB 3.37Å; L333-Y336 PolarHBondContact O-N 3.31Å; L333-E337 HydrophobicContact CG-CG 4.46Å; L333-E337 PolarHBondContact O-N 3.2Å |
| 334 | E | 80.7 | Confident | 79.9 | Confident | 122 Ų | 122 | 66.5 Ų | 66.5 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58 | -32.9 | 177 | -62.6 | 86.5 | 168.4 | 0 | 0 | 112.3 | P332 Y338 | P332-E334 WeakPolarHBondContact CB-OE2 3.36Å; P332-E334 PolarHBondContact O-N 3.15Å; E334-Y338 VanDerWaalsContact O-CB 3.23Å; E334-Y338 WeakPolarHBondContact O-CB 3.46Å; E334-Y338 PolarHBondContact O-N 3.28Å |
| 335 | A | 79.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.1 | -35.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P209 W331 P332 L333 V339 | P209-A335 HydrophobicContact CB-CB 4.41Å; P209-A335 HydrophobicContact CG-CB 3.88Å; W331-A335 HydrophobicContact CE3-CB 4.23Å; P332-A335 HydrophobicContact CG-CB 3.92Å; P332-A335 WeakPolarHBondContact O-CB 3.2Å; P332-A335 PolarHBondContact O-N 2.97Å; L333-A335 PolarHBondContact O-N 3.41Å; A335-V339 WeakPolarHBondContact O-CB 3.22Å; A335-V339 WeakPolarHBondContact O-CG2 3.12Å; A335-V339 PolarHBondContact O-N 2.93Å; A335-V339 VanDerWaalsContact O-N 3.1Å |
| 336 | Y | 85.9 | Confident | 81.2 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 28% | 0.275 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.6 | -50.7 | 173.7 | -73.1 | -92.7 | 0 | 0 | 0 | 110.8 | P209 W331 P332 L333 Y338 V339 E340 | P209-Y336 HydrophobicContact CG-CD1 4.43Å; P209-Y336 HydrophobicContact CG-CD2 4.34Å; P209-Y336 HydrophobicContact CG-CE2 4.46Å; P209-Y336 HydrophobicContact CG-CG 4.33Å; W331-Y336 HydrophobicContact CB-CD2 4.13Å; W331-Y336 HydrophobicContact CB-CE2 3.38Å; W331-Y336 HydrophobicContact CG-CE2 4.35Å; P332-Y336 WeakPolarHBondContact O-CD2 3.34Å; L333-Y336 WeakPolarHBondContact O-CB 3.37Å; L333-Y336 PolarHBondContact O-N 3.31Å; Y336-Y338 VanDerWaalsContact C-N 3.33Å; Y336-Y338 PolarHBondContact O-N 3.1Å; Y336-V339 PolarHBondContact O-N 2.97Å; Y336-E340 WeakPolarHBondContact O-CB 3.42Å; Y336-E340 WeakPolarHBondContact O-CG 3.36Å; Y336-E340 PolarHBondContact O-N 3.17Å |
| 337 | E | 83.9 | Confident | 81.9 | Confident | 114 Ų | 114 | 68.2 Ų | 68.2 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.6 | -45.6 | -179.3 | -68.1 | 179.3 | 166.7 | 0 | 0 | 111.5 | L333 E340 E341 | L333-E337 HydrophobicContact CG-CG 4.46Å; L333-E337 PolarHBondContact O-N 3.2Å; E337-E340 PolarHBondContact O-N 3.21Å; E337-E341 WeakPolarHBondContact O-CB 3.1Å; E337-E341 PolarHBondContact O-N 3.48Å |
| 338 | Y | 78.3 | Confident | 82.4 | Confident | 63 Ų | 63 | 66.7 Ų | 66.7 | 25% | 0.247 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 178.7 | -168 | -74.5 | 0 | 0 | 0 | 112 | E334 Y336 E341 D342 Q380 W381 D384 L386 | E334-Y338 VanDerWaalsContact O-CB 3.23Å; E334-Y338 WeakPolarHBondContact O-CB 3.46Å; E334-Y338 PolarHBondContact O-N 3.28Å; Y336-Y338 VanDerWaalsContact C-N 3.33Å; Y336-Y338 PolarHBondContact O-N 3.1Å; Y338-E341 PolarHBondContact O-N 3.37Å; Y338-D342 WeakPolarHBondContact O-CB 3.42Å; Y338-D342 PolarHBondContact O-N 2.97Å; Y338-Q380 PolarHBondContact OH-NE2 3.42Å; Y338-W381 AromaticContact CD1-CD1 3.78Å; Y338-W381 AromaticContact CD1-NE1 3.73Å; Y338-W381 AromaticContact CE1-CD1 3.36Å; Y338-W381 AromaticContact CE1-NE1 3.43Å; Y338-D384 PolarHBondContact OH-OD2 2.99Å; Y338-L386 HydrophobicContact CD1-CD1 3.85Å; Y338-L386 HydrophobicContact CD2-CD1 3.76Å; Y338-L386 HydrophobicContact CE1-CD1 4.26Å; Y338-L386 HydrophobicContact CE2-CD1 4.12Å; Y338-L386 HydrophobicContact CG-CD1 3.58Å |
| 339 | V | 84.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | -179.8 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | V206 P209 F212 A335 Y336 D342 C343 W381 | V206-V339 HydrophobicContact CG1-CG1 3.83Å; V206-V339 HydrophobicContact CG2-CG1 4.21Å; P209-V339 HydrophobicContact CB-CG2 3.96Å; F212-V339 HydrophobicContact CE1-CG1 3.43Å; F212-V339 VanDerWaalsContact CE1-CG1 3.43Å; F212-V339 HydrophobicContact CZ-CG1 3.42Å; F212-V339 VanDerWaalsContact CZ-CG1 3.42Å; A335-V339 WeakPolarHBondContact O-CB 3.22Å; A335-V339 WeakPolarHBondContact O-CG2 3.12Å; A335-V339 PolarHBondContact O-N 2.93Å; A335-V339 VanDerWaalsContact O-N 3.1Å; Y336-V339 PolarHBondContact O-N 2.97Å; V339-D342 PolarHBondContact O-N 2.84Å; V339-C343 HydrophobicContact CG1-CB 4.48Å; V339-C343 WeakPolarHBondContact O-CB 3.47Å; V339-C343 PolarHBondContact O-N 2.79Å; V339-W381 HydrophobicContact CB-CH2 4.4Å; V339-W381 HydrophobicContact CB-CZ2 4.43Å; V339-W381 HydrophobicContact CG1-CH2 3.91Å; V339-W381 HydrophobicContact CG1-CZ2 4.26Å; V339-W381 HydrophobicContact CG2-CD2 4.07Å; V339-W381 HydrophobicContact CG2-CE3 4.01Å; V339-W381 HydrophobicContact CG2-CH2 3.69Å; V339-W381 HydrophobicContact CG2-CZ2 3.75Å; V339-W381 HydrophobicContact CG2-CZ3 3.8Å |
| 340 | E | 85.5 | Confident | 82.8 | Confident | 87 Ų | 87 | 55.4 Ų | 55.4 | 41% | 0.407 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 174.4 | -75 | -174.3 | 168 | 0 | 0 | 111.3 | V206 Y336 E337 D342 L344 | V206-E340 HydrophobicContact CB-CG 4.03Å; V206-E340 HydrophobicContact CG2-CG 3.97Å; Y336-E340 WeakPolarHBondContact O-CB 3.42Å; Y336-E340 WeakPolarHBondContact O-CG 3.36Å; Y336-E340 PolarHBondContact O-N 3.17Å; E337-E340 PolarHBondContact O-N 3.21Å; E340-D342 VanDerWaalsContact C-N 3.34Å; E340-D342 PolarHBondContact O-N 2.93Å; E340-L344 WeakPolarHBondContact O-CB 3.03Å; E340-L344 PolarHBondContact O-N 3.41Å |
| 341 | E | 84.5 | Confident | 82.8 | Confident | 156 Ų | 156 | 54.8 Ų | 54.8 | 73% | 0.729 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 175.3 | -174.8 | 178.7 | 178.8 | 0 | 0 | 112.1 | E337 Y338 K346 | E337-E341 WeakPolarHBondContact O-CB 3.1Å; E337-E341 PolarHBondContact O-N 3.48Å; Y338-E341 PolarHBondContact O-N 3.37Å; E341-K346 WeakPolarHBondContact O-CE 3.03Å; E341-K346 PolarHBondContact O-NZ 2.75Å |
| 342 | D | 81.7 | Confident | 82.8 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 12% | 0.123 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -80.9 | -26.7 | -175.4 | -156.1 | 24.1 | 0 | 0 | 0 | 113.5 | Y338 V339 E340 K346 H366 L377 | Y338-D342 WeakPolarHBondContact O-CB 3.42Å; Y338-D342 PolarHBondContact O-N 2.97Å; V339-D342 PolarHBondContact O-N 2.84Å; E340-D342 VanDerWaalsContact C-N 3.34Å; E340-D342 PolarHBondContact O-N 2.93Å; D342-K346 VanDerWaalsContact C-NZ 3.34Å; D342-K346 VanDerWaalsContact CA-NZ 3.3Å; D342-K346 WeakPolarHBondContact O-CD 3Å; D342-K346 WeakPolarHBondContact O-CE 2.95Å; D342-K346 PolarHBondContact O-NZ 2.95Å; D342-K346 IonicContact OD1-NZ 3.89Å; D342-K346 PolarHBondContact OD1-NZ 2.81Å; D342-K346 VanDerWaalsContact OD1-NZ 3.17Å; D342-H366 IonicContact OD1-CE1 2.74Å; D342-H366 PolarHBondContact OD1-CE1 2.92Å; D342-H366 VanDerWaalsContact OD1-CE1 3.25Å; D342-H366 IonicContact OD1-NE2 2.71Å; D342-H366 PolarHBondContact OD1-NE2 3.14Å; D342-H366 VanDerWaalsContact OD1-NE2 3.12Å; D342-H366 IonicContact OD2-CE1 3.23Å; D342-H366 IonicContact OD2-NE2 3.26Å; D342-H366 PolarHBondContact OD2-NE2 2.83Å; D342-L377 WeakPolarHBondContact OD2-CD2 3.42Å |
| 343 | C | 86.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -117.4 | -41.2 | -169.8 | -64.7 | 0 | 0 | 0 | 0 | 114.7 | I203 F212 V339 G345 K346 L348 | I203-C343 HydrophobicContact CB-CB 4.48Å; I203-C343 WeakPolarHBondContact CB-O 3.3Å; I203-C343 HydrophobicContact CG1-CB 4.09Å; I203-C343 HydrophobicContact CG2-CB 4.39Å; F212-C343 HydrophobicContact CE1-CB 4.02Å; V339-C343 HydrophobicContact CG1-CB 4.48Å; V339-C343 WeakPolarHBondContact O-CB 3.47Å; V339-C343 PolarHBondContact O-N 2.79Å; C343-G345 PolarHBondContact O-N 3.18Å; C343-K346 PolarHBondContact O-N 2.89Å; C343-L348 HydrophobicContact CB-CD1 4.07Å |
| 344 | L | 85.4 | Confident | 82.6 | Confident | 78 Ų | 78 | 53.4 Ų | 53.4 | 41% | 0.408 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 125.4 | -166.2 | -171.4 | 65.9 | 0 | 0 | 0 | 111.1 | E340 K346 | E340-L344 WeakPolarHBondContact O-CB 3.03Å; E340-L344 PolarHBondContact O-N 3.41Å; L344-K346 PolarHBondContact O-N 2.82Å |
| 345 | G | 83 | Confident | 82.6 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I203 C343 | I203-G345 PolarHBondContact O-N 3.31Å; C343-G345 PolarHBondContact O-N 3.18Å |
| 346 | K | 84.5 | Confident | 82.4 | Confident | 77 Ų | 77 | 57.7 Ų | 57.7 | 34% | 0.335 | 28% | 0.281 | S | S | . | . | trans | -87.2 | 154.8 | 177.6 | -56.5 | -163.5 | -159 | 161 | 0 | 112.2 | R202 I203 E341 D342 C343 L344 L348 | R202-K346 WeakPolarHBondContact CA-O 3.35Å; I203-K346 PolarHBondContact N-O 3.01Å; E341-K346 WeakPolarHBondContact O-CE 3.03Å; E341-K346 PolarHBondContact O-NZ 2.75Å; D342-K346 VanDerWaalsContact C-NZ 3.34Å; D342-K346 VanDerWaalsContact CA-NZ 3.3Å; D342-K346 WeakPolarHBondContact O-CD 3Å; D342-K346 WeakPolarHBondContact O-CE 2.95Å; D342-K346 PolarHBondContact O-NZ 2.95Å; D342-K346 IonicContact OD1-NZ 3.89Å; D342-K346 PolarHBondContact OD1-NZ 2.81Å; D342-K346 VanDerWaalsContact OD1-NZ 3.17Å; C343-K346 PolarHBondContact O-N 2.89Å; L344-K346 PolarHBondContact O-N 2.82Å; K346-L348 HydrophobicContact CB-CD2 4.31Å; K346-L348 HydrophobicContact CB-CG 4.31Å | ||
| 347 | D | 86.1 | Confident | 81.8 | Confident | 61 Ų | 61 | 57 Ų | 57 | 33% | 0.326 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 110.2 | 175.2 | -68.6 | -7.9 | 0 | 0 | 0 | 109.2 | M200 V201 R202 L217 | M200-D347 HydrophobicContact CE-CB 4.23Å; V201-D347 CarbonylContact O-C 3.5Å; V201-D347 WeakPolarHBondContact O-CA 3.5Å; R202-D347 IonicContact CZ-OD1 3.47Å; R202-D347 IonicContact CZ-OD2 3.79Å; R202-D347 IonicContact NE-OD1 3.23Å; R202-D347 PolarHBondContact NE-OD1 2.92Å; R202-D347 VanDerWaalsContact NH2-CG 3.28Å; R202-D347 IonicContact NH2-OD1 2.65Å; R202-D347 PolarHBondContact NH2-OD1 3.03Å; R202-D347 IonicContact NH2-OD2 2.83Å; R202-D347 PolarHBondContact NH2-OD2 2.8Å; L217-D347 HydrophobicContact CD1-CB 3.99Å; L217-D347 HydrophobicContact CD2-CB 4.31Å; L217-D347 VanDerWaalsContact CD2-OD1 3.3Å; L217-D347 WeakPolarHBondContact CD2-OD1 3.35Å |
| 348 | L | 84.1 | Confident | 81.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 153.5 | -172.4 | -60.7 | 178.5 | 0 | 0 | 0 | 110.8 | M200 V201 I203 C343 K346 L364 H366 L377 | M200-L348 CarbonylContact C-O 3.45Å; M200-L348 WeakPolarHBondContact CA-O 3.07Å; V201-L348 WeakPolarHBondContact CG2-O 2.9Å; V201-L348 PolarHBondContact N-O 3.4Å; V201-L348 PolarHBondContact O-N 2.96Å; I203-L348 HydrophobicContact CD1-CD1 4.41Å; I203-L348 HydrophobicContact CG1-CD1 3.8Å; C343-L348 HydrophobicContact CB-CD1 4.07Å; K346-L348 HydrophobicContact CB-CD2 4.31Å; K346-L348 HydrophobicContact CB-CG 4.31Å; L348-L364 HydrophobicContact CB-CD1 3.62Å; L348-L364 HydrophobicContact CB-CG 4.11Å; L348-L364 HydrophobicContact CD1-CD1 4.03Å; L348-L364 HydrophobicContact CD1-CD2 3.6Å; L348-L364 HydrophobicContact CD1-CG 3.8Å; L348-L364 HydrophobicContact CG-CD1 4.5Å; L348-H366 VanDerWaalsContact CD2-ND1 3.33Å; L348-H366 WeakPolarHBondContact CD2-ND1 3.45Å; L348-L377 HydrophobicContact CD1-CD1 4.02Å |
| 349 | F | 79.9 | Confident | 81.2 | Confident | 44 Ų | 44 | 53 Ų | 53 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 120.5 | 172 | -176.7 | -99.2 | 0 | 0 | 0 | 109.6 | G198 M200 L351 L364 A365 L374 F400 | G198-F349 VanDerWaalsContact CA-CZ 3.42Å; M200-F349 HydrophobicContact SD-CB 3.88Å; M200-F349 HydrophobicContact SD-CD2 4.07Å; F349-L351 HydrophobicContact CE1-CB 4.07Å; F349-L364 WeakPolarHBondContact O-CA 3.42Å; F349-A365 PolarHBondContact N-O 3.16Å; F349-A365 PolarHBondContact O-N 3.15Å; F349-L374 HydrophobicContact CB-CD2 4.01Å; F349-L374 HydrophobicContact CD1-CD1 3.65Å; F349-L374 HydrophobicContact CD1-CD2 3.9Å; F349-L374 HydrophobicContact CD1-CG 4.45Å; F349-L374 HydrophobicContact CE1-CD1 3.56Å; F349-L374 HydrophobicContact CG-CD1 4.41Å; F349-L374 HydrophobicContact CG-CD2 4.05Å; F349-L374 HydrophobicContact CZ-CD1 4.26Å; F349-F400 HydrophobicContact CD1-CE1 4.46Å; F349-F400 HydrophobicContact CE1-CD1 4.45Å; F349-F400 HydrophobicContact CE1-CE1 4.13Å |
| 350 | F | 83 | Confident | 81.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.6 | 174.5 | -179.4 | -130.1 | 0 | 0 | 0 | 109.9 | G198 L199 V201 F319 M352 Y363 L364 | G198-F350 WeakPolarHBondContact CA-O 3.14Å; L199-F350 PolarHBondContact N-O 2.85Å; L199-F350 PolarHBondContact O-N 2.72Å; V201-F350 HydrophobicContact CG1-CB 4.13Å; V201-F350 HydrophobicContact CG2-CB 3.81Å; F319-F350 HydrophobicContact CB-CE1 3.58Å; F319-F350 HydrophobicContact CB-CE2 4.05Å; F319-F350 HydrophobicContact CB-CZ 3.31Å; F319-F350 AromaticContact CD1-CD1 3.96Å; F319-F350 HydrophobicContact CD1-CD1 3.96Å; F319-F350 HydrophobicContact CD1-CD2 4.47Å; F319-F350 AromaticContact CD1-CE1 3.75Å; F319-F350 HydrophobicContact CD1-CE1 3.75Å; F319-F350 HydrophobicContact CD1-CE2 4.35Å; F319-F350 HydrophobicContact CD1-CG 4.33Å; F319-F350 HydrophobicContact CD1-CZ 4.03Å; F319-F350 HydrophobicContact CD2-CD2 4.02Å; F319-F350 HydrophobicContact CD2-CE1 4.31Å; F319-F350 AromaticContact CD2-CE2 3.54Å; F319-F350 HydrophobicContact CD2-CE2 3.54Å; F319-F350 AromaticContact CD2-CZ 3.74Å; F319-F350 HydrophobicContact CD2-CZ 3.74Å; F319-F350 HydrophobicContact CE1-CD1 4.26Å; F319-F350 HydrophobicContact CE1-CD2 4.44Å; F319-F350 HydrophobicContact CE1-CE1 4.47Å; F319-F350 HydrophobicContact CE1-CG 4.26Å; F319-F350 HydrophobicContact CE2-CD2 4.03Å; F319-F350 HydrophobicContact CE2-CE2 4Å; F319-F350 HydrophobicContact CG-CD1 4.23Å; F319-F350 HydrophobicContact CG-CD2 4.26Å; F319-F350 AromaticContact CG-CE1 3.64Å; F319-F350 HydrophobicContact CG-CE1 3.64Å; F319-F350 AromaticContact CG-CE2 3.74Å; F319-F350 HydrophobicContact CG-CE2 3.74Å; F319-F350 AromaticContact CG-CZ 3.44Å; F319-F350 HydrophobicContact CG-CZ 3.44Å; F319-F350 VanDerWaalsContact CG-CZ 3.44Å; F319-F350 HydrophobicContact CZ-CD2 4.24Å; F319-F350 HydrophobicContact CZ-CG 4.43Å; F350-M352 HydrophobicContact CD1-CG 3.51Å; F350-M352 HydrophobicContact CD1-SD 4.31Å; F350-M352 HydrophobicContact CE1-CB 4.33Å; F350-M352 HydrophobicContact CE1-CG 3.18Å; F350-M352 HydrophobicContact CE1-SD 4.03Å; F350-M352 HydrophobicContact CG-CG 4.49Å; F350-M352 HydrophobicContact CZ-CG 3.9Å; F350-Y363 WeakPolarHBondContact CA-O 2.68Å; F350-Y363 WeakPolarHBondContact CD2-O 2.96Å; F350-L364 HydrophobicContact CB-CD1 4.03Å; F350-L364 HydrophobicContact CD2-CD1 4.4Å |
| 351 | L | 79.7 | Confident | 81.1 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 100.8 | 172.1 | -179.5 | 65.7 | 0 | 0 | 0 | 109 | F349 T353 G362 Y363 F400 | F349-L351 HydrophobicContact CE1-CB 4.07Å; L351-T353 HydrophobicContact CD2-CG2 4.28Å; L351-T353 HydrophobicContact CG-CG2 4.04Å; L351-G362 CarbonylContact O-C 3.45Å; L351-G362 WeakPolarHBondContact O-CA 3.04Å; L351-Y363 HydrophobicContact CD2-CD2 4.38Å; L351-Y363 PolarHBondContact N-O 2.6Å; L351-Y363 PolarHBondContact O-N 3.18Å; L351-F400 HydrophobicContact CB-CE1 4.09Å; L351-F400 HydrophobicContact CD2-CD1 4.22Å; L351-F400 HydrophobicContact CD2-CE1 3.65Å; L351-F400 HydrophobicContact CD2-CZ 4.35Å; L351-F400 HydrophobicContact CG-CE1 4.46Å |
| 352 | M | 80 | Confident | 80.9 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 129.4 | 172.1 | -63.8 | -174.5 | -43.3 | 0 | 0 | 109.7 | S196 I197 L199 L317 F350 Y360 | S196-M352 CarbonylContact C-O 3.5Å; S196-M352 WeakPolarHBondContact CA-O 3.44Å; S196-M352 WeakPolarHBondContact CB-O 3.39Å; I197-M352 HydrophobicContact CB-CE 3.7Å; I197-M352 HydrophobicContact CD1-CE 4.34Å; I197-M352 HydrophobicContact CG2-CE 3.84Å; I197-M352 PolarHBondContact N-O 2.63Å; I197-M352 WeakPolarHBondContact O-CB 3.22Å; I197-M352 PolarHBondContact O-N 2.91Å; L199-M352 HydrophobicContact CD2-CE 3.53Å; L199-M352 HydrophobicContact CD2-CG 3.92Å; L199-M352 HydrophobicContact CD2-SD 3.67Å; L317-M352 HydrophobicContact CD1-SD 4.1Å; F350-M352 HydrophobicContact CD1-CG 3.51Å; F350-M352 HydrophobicContact CD1-SD 4.31Å; F350-M352 HydrophobicContact CE1-CB 4.33Å; F350-M352 HydrophobicContact CE1-CG 3.18Å; F350-M352 HydrophobicContact CE1-SD 4.03Å; F350-M352 HydrophobicContact CG-CG 4.49Å; F350-M352 HydrophobicContact CZ-CG 3.9Å; M352-Y360 HydrophobicContact CG-CD1 4.37Å; M352-Y360 HydrophobicContact SD-CD1 3.62Å; M352-Y360 HydrophobicContact SD-CE1 3.97Å; M352-Y360 HydrophobicContact SD-CG 3.9Å |
| 353 | T | 76.7 | Confident | 80.8 | Confident | 38 Ų | 38 | 43.5 Ų | 43.5 | 23% | 0.233 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | -26 | -178.9 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | L191 L322 L351 E361 Y363 | L191-T353 VanDerWaalsContact CD2-C 3.41Å; L191-T353 WeakPolarHBondContact CD2-O 3.44Å; L322-T353 WeakPolarHBondContact CD1-OG1 3.32Å; L351-T353 HydrophobicContact CD2-CG2 4.28Å; L351-T353 HydrophobicContact CG-CG2 4.04Å; T353-E361 PolarHBondContact N-O 3.49Å; T353-E361 PolarHBondContact OG1-O 3.14Å; T353-E361 VanDerWaalsContact OG1-O 3.07Å; T353-Y363 HydrophobicContact CG2-CD2 4.21Å; T353-Y363 HydrophobicContact CG2-CE2 4.19Å |
| 354 | Q | 81 | Confident | 80.6 | Confident | 105 Ų | 105 | 43.5 Ų | 43.5 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 159.4 | 177.7 | -49.9 | -177.9 | 27.1 | 0 | 0 | 110.1 | E361 | Q354-E361 HydrophobicContact CB-CB 4.19Å; Q354-E361 PolarHBondContact N-O 3.25Å; Q354-E361 VanDerWaalsContact N-O 3.09Å; Q354-E361 PolarHBondContact O-N 3.46Å |
| 355 | Q | 80.9 | Confident | 80.1 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132.3 | 172.8 | -178.8 | -177.3 | 4.8 | 0 | 0 | 109.6 | S188 P189 L191 G357 V359 Y360 | S188-Q355 PolarHBondContact O-NE2 3.12Å; P189-Q355 PolarHBondContact O-OE1 3.46Å; L191-Q355 HydrophobicContact CB-CB 4.07Å; Q355-G357 VanDerWaalsContact CG-O 3.23Å; Q355-G357 WeakPolarHBondContact CG-O 3.48Å; Q355-G357 PolarHBondContact NE2-O 2.75Å; Q355-V359 CarbonylContact C-O 3.6Å; Q355-V359 WeakPolarHBondContact CA-O 3.4Å; Q355-Y360 HydrophobicContact CB-CD1 4.2Å; Q355-Y360 HydrophobicContact CB-CE1 4.34Å; Q355-Y360 HydrophobicContact CG-CD1 4.18Å; Q355-Y360 HydrophobicContact CG-CE1 4.03Å |
| 356 | K | 75.9 | Confident | 79.5 | Confident | 159 Ų | 159 | 40.2 Ų | 40.2 | 69% | 0.691 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 93.1 | 175.4 | -170.8 | 178 | -179.4 | 179.8 | 0 | 109.4 | N358 V359 | K356-N358 PolarHBondContact O-N 2.84Å; K356-V359 PolarHBondContact N-O 3Å; K356-V359 PolarHBondContact O-N 3.18Å |
| 357 | G | 73.4 | Confident | 78 | Confident | 55 Ų | 55 | 38 Ų | 38 | 57% | 0.567 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | -124.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q355 V359 | Q355-G357 VanDerWaalsContact CG-O 3.23Å; Q355-G357 WeakPolarHBondContact CG-O 3.48Å; Q355-G357 PolarHBondContact NE2-O 2.75Å; G357-V359 VanDerWaalsContact C-N 3.28Å; G357-V359 PolarHBondContact O-N 3.37Å |
| 358 | N | 71.1 | Confident | 76.4 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 18.7 | 179.7 | -69 | 1 | 0 | 0 | 0 | 113.2 | P187 S188 K356 | P187-N358 WeakPolarHBondContact CA-OD1 3.44Å; S188-N358 PolarHBondContact N-OD1 2.75Å; S188-N358 VanDerWaalsContact OG-CA 3.27Å; S188-N358 WeakPolarHBondContact OG-CA 3.43Å; S188-N358 VanDerWaalsContact OG-CB 3.22Å; S188-N358 WeakPolarHBondContact OG-CB 3.25Å; S188-N358 PolarHBondContact OG-O 3.27Å; K356-N358 PolarHBondContact O-N 2.84Å |
| 359 | V | 78.5 | Confident | 74.3 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 22% | 0.218 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.4 | -174 | 173 | 0 | 0 | 0 | 0 | 108.5 | I318 Y320 Q355 K356 G357 | I318-V359 HydrophobicContact CG2-CG2 4.29Å; Y320-V359 HydrophobicContact CD2-CG1 3.08Å; Y320-V359 HydrophobicContact CE2-CB 4.34Å; Y320-V359 HydrophobicContact CE2-CG1 3.17Å; Y320-V359 HydrophobicContact CE2-CG2 4.27Å; Y320-V359 HydrophobicContact CG-CG1 4.31Å; Q355-V359 CarbonylContact C-O 3.6Å; Q355-V359 WeakPolarHBondContact CA-O 3.4Å; K356-V359 PolarHBondContact N-O 3Å; K356-V359 PolarHBondContact O-N 3.18Å; G357-V359 VanDerWaalsContact C-N 3.28Å; G357-V359 PolarHBondContact O-N 3.37Å |
| 360 | Y | 82.8 | Confident | 72.2 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 148.4 | 176.5 | -60.4 | -81.3 | 0 | 0 | 0 | 110.9 | S188 P189 L317 I318 F319 Y320 M352 Q355 | S188-Y360 VanDerWaalsContact C-OH 3.22Å; S188-Y360 WeakPolarHBondContact CB-OH 3.4Å; P189-Y360 WeakPolarHBondContact CD-OH 3.42Å; P189-Y360 WeakPolarHBondContact CG-OH 3.1Å; P189-Y360 WeakPolarHBondContact O-CE1 3.05Å; P189-Y360 PolarHBondContact O-OH 2.98Å; L317-Y360 HydrophobicContact CB-CD2 4.15Å; L317-Y360 HydrophobicContact CB-CE2 4.44Å; L317-Y360 HydrophobicContact CD2-CD2 3.95Å; L317-Y360 HydrophobicContact CD2-CE2 3.45Å; L317-Y360 VanDerWaalsContact CD2-CE2 3.45Å; L317-Y360 HydrophobicContact CG-CE2 4.48Å; I318-Y360 PolarHBondContact O-N 3.42Å; F319-Y360 CarbonylContact C-O 3.23Å; F319-Y360 WeakPolarHBondContact CA-O 3.38Å; F319-Y360 WeakPolarHBondContact CB-O 3.38Å; Y320-Y360 PolarHBondContact N-O 3.36Å; M352-Y360 HydrophobicContact CG-CD1 4.37Å; M352-Y360 HydrophobicContact SD-CD1 3.62Å; M352-Y360 HydrophobicContact SD-CE1 3.97Å; M352-Y360 HydrophobicContact SD-CG 3.9Å; Q355-Y360 HydrophobicContact CB-CD1 4.2Å; Q355-Y360 HydrophobicContact CB-CE1 4.34Å; Q355-Y360 HydrophobicContact CG-CD1 4.18Å; Q355-Y360 HydrophobicContact CG-CE1 4.03Å |
| 361 | E | 84.4 | Confident | 69.9 | Low | 43 Ų | 43 | 61.7 Ų | 61.7 | 20% | 0.201 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.3 | 172.1 | -48 | -176.7 | 172.8 | 0 | 0 | 109.4 | Y320 L322 T353 Q354 | Y320-E361 WeakPolarHBondContact O-CA 3.34Å; L322-E361 HydrophobicContact CD1-CB 4.41Å; L322-E361 HydrophobicContact CD2-CB 3.88Å; L322-E361 WeakPolarHBondContact CD2-OE2 3.47Å; L322-E361 HydrophobicContact CG-CB 3.98Å; T353-E361 PolarHBondContact N-O 3.49Å; T353-E361 PolarHBondContact OG1-O 3.14Å; T353-E361 VanDerWaalsContact OG1-O 3.07Å; Q354-E361 HydrophobicContact CB-CB 4.19Å; Q354-E361 PolarHBondContact N-O 3.25Å; Q354-E361 VanDerWaalsContact N-O 3.09Å; Q354-E361 PolarHBondContact O-N 3.46Å |
| 362 | G | 81.3 | Confident | 67.7 | Low | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177 | -161.1 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y320 L321 L322 L351 | Y320-G362 PolarHBondContact O-N 2.96Å; L321-G362 WeakPolarHBondContact CA-O 2.81Å; L322-G362 PolarHBondContact N-O 3.4Å; L351-G362 CarbonylContact O-C 3.45Å; L351-G362 WeakPolarHBondContact O-CA 3.04Å |
| 363 | Y | 78.6 | Confident | 66 | Low | 23 Ų | 23 | 74.7 Ų | 74.7 | 9% | 0.09 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.3 | -179.2 | -57.2 | -83.5 | 0 | 0 | 0 | 110.4 | L322 F350 L351 T353 | L322-Y363 HydrophobicContact CB-CE1 3.98Å; L322-Y363 HydrophobicContact CD1-CE2 4.13Å; F350-Y363 WeakPolarHBondContact CA-O 2.68Å; F350-Y363 WeakPolarHBondContact CD2-O 2.96Å; L351-Y363 HydrophobicContact CD2-CD2 4.38Å; L351-Y363 PolarHBondContact N-O 2.6Å; L351-Y363 PolarHBondContact O-N 3.18Å; T353-Y363 HydrophobicContact CG2-CD2 4.21Å; T353-Y363 HydrophobicContact CG2-CE2 4.19Å |
| 364 | L | 82.1 | Confident | 64.4 | Low | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.5 | 179.1 | -168.4 | 69.1 | 0 | 0 | 0 | 109.6 | V201 I203 F319 L321 L348 F349 F350 L377 | V201-L364 HydrophobicContact CG2-CD1 4.23Å; I203-L364 HydrophobicContact CD1-CD1 4.36Å; I203-L364 HydrophobicContact CD1-CD2 4.21Å; F319-L364 HydrophobicContact CE2-CD1 4.41Å; F319-L364 HydrophobicContact CE2-CD2 4.33Å; F319-L364 HydrophobicContact CZ-CD1 3.94Å; F319-L364 HydrophobicContact CZ-CD2 4.21Å; L321-L364 HydrophobicContact CD2-CB 3.51Å; L348-L364 HydrophobicContact CB-CD1 3.62Å; L348-L364 HydrophobicContact CB-CG 4.11Å; L348-L364 HydrophobicContact CD1-CD1 4.03Å; L348-L364 HydrophobicContact CD1-CD2 3.6Å; L348-L364 HydrophobicContact CD1-CG 3.8Å; L348-L364 HydrophobicContact CG-CD1 4.5Å; F349-L364 WeakPolarHBondContact O-CA 3.42Å; F350-L364 HydrophobicContact CB-CD1 4.03Å; F350-L364 HydrophobicContact CD2-CD1 4.4Å; L364-L377 HydrophobicContact CB-CD1 4.39Å; L364-L377 HydrophobicContact CD2-CD1 3.9Å; L364-L377 HydrophobicContact CG-CD1 3.91Å; L364-L377 PolarHBondContact O-N 2.59Å |
| 365 | A | 74.4 | Confident | 63 | Low | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F349 G367 L374 R375 | F349-A365 PolarHBondContact N-O 3.16Å; F349-A365 PolarHBondContact O-N 3.15Å; A365-G367 PolarHBondContact O-N 3.13Å; A365-L374 HydrophobicContact CB-CB 4.09Å; A365-L374 HydrophobicContact CB-CD2 3.91Å; A365-R375 WeakPolarHBondContact CA-O 3.27Å; A365-R375 WeakPolarHBondContact CB-O 3.22Å |
| 366 | H | 70.4 | Confident | 62 | Low | 55 Ų | 55 | 78 Ų | 78 | 26% | 0.255 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 130.9 | 168.4 | -75.4 | -61.2 | 0 | 0 | 0 | 109.9 | D342 L348 D368 L377 | D342-H366 IonicContact OD1-CE1 2.74Å; D342-H366 PolarHBondContact OD1-CE1 2.92Å; D342-H366 VanDerWaalsContact OD1-CE1 3.25Å; D342-H366 IonicContact OD1-NE2 2.71Å; D342-H366 PolarHBondContact OD1-NE2 3.14Å; D342-H366 VanDerWaalsContact OD1-NE2 3.12Å; D342-H366 IonicContact OD2-CE1 3.23Å; D342-H366 IonicContact OD2-NE2 3.26Å; D342-H366 PolarHBondContact OD2-NE2 2.83Å; L348-H366 VanDerWaalsContact CD2-ND1 3.33Å; L348-H366 WeakPolarHBondContact CD2-ND1 3.45Å; H366-D368 PolarHBondContact O-N 2.9Å; H366-L377 VanDerWaalsContact CD2-CD2 3.42Å; H366-L377 WeakPolarHBondContact CD2-CD2 3.47Å; H366-L377 VanDerWaalsContact NE2-CD2 3.28Å; H366-L377 WeakPolarHBondContact NE2-CD2 3.2Å |
| 367 | G | 54 | Low | 61.5 | Low | 30 Ų | 30 | 70.4 Ų | 70.4 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | trans | -81.7 | 8.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | A365 N369 | A365-G367 PolarHBondContact O-N 3.13Å; G367-N369 PolarHBondContact O-N 3.46Å | ||
| 368 | D | 52.5 | Low | 60.9 | Low | 135 Ų | 135 | 68.3 Ų | 68.3 | 72% | 0.722 | 34% | 0.34 | S | S | * | . | trans | -80.4 | 125 | -171.8 | -77.4 | -17.8 | 0 | 0 | 0 | 113.1 | H366 | H366-D368 PolarHBondContact O-N 2.9Š| ||
| 369 | N | 39.9 | Very low | 60.5 | Low | 123 Ų | 123 | 70 Ų | 70 | 66% | 0.658 | 35% | 0.345 | S | S | * | . | trans | 84 | 96.6 | 172.8 | -67.8 | -32.6 | 0 | 0 | 0 | 117.6 | G367 K371 T372 | G367-N369 PolarHBondContact O-N 3.46Å; N369-K371 PolarHBondContact O-N 3.18Å; N369-T372 WeakPolarHBondContact CB-OG1 3.38Å; N369-T372 PolarHBondContact O-N 2.6Å | ||
| 370 | V | 35.8 | Very low | 59.7 | Low | 152 Ų | 152 | 72 Ų | 72 | 92% | 0.921 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -13.4 | -8 | 146.2 | -178.2 | 0 | 0 | 0 | 0 | 118.7 | ||
| 371 | K | 34.4 | Very low | 59 | Low | 194 Ų | 194 | 72 Ų | 72 | 84% | 0.843 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.1 | 9.5 | 175.8 | -73 | -165.4 | 172.7 | -178.7 | 0 | 116.8 | N369 | N369-K371 PolarHBondContact O-N 3.18Š|
| 372 | T | 33.2 | Very low | 58 | Low | 91 Ų | 91 | 71.9 Ų | 71.9 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -149 | 112.6 | -169.2 | 44.5 | 0 | 0 | 0 | 0 | 114.9 | N369 | N369-T372 WeakPolarHBondContact CB-OG1 3.38Å; N369-T372 PolarHBondContact O-N 2.6Å |
| 373 | R | 44.2 | Very low | 57.1 | Low | 214 Ų | 214 | 76.7 Ų | 76.7 | 81% | 0.808 | 38% | 0.384 | S | S | * | . | trans | 32.7 | 100 | 156.7 | -65.6 | -176.3 | 177.2 | 178.2 | 0.7 | 116.5 | R375 | R373-R375 PolarHBondContact O-N 3.28Å; R373-R375 VanDerWaalsContact O-N 3.14Å | ||
| 374 | L | 44.4 | Very low | 56.3 | Low | 57 Ų | 57 | 79.2 Ų | 79.2 | 30% | 0.298 | 40% | 0.399 | S | S | . | . | trans | -54.4 | 117.7 | 164.1 | -71.8 | 168.7 | 0 | 0 | 0 | 109.6 | F349 A365 F400 | F349-L374 HydrophobicContact CB-CD2 4.01Å; F349-L374 HydrophobicContact CD1-CD1 3.65Å; F349-L374 HydrophobicContact CD1-CD2 3.9Å; F349-L374 HydrophobicContact CD1-CG 4.45Å; F349-L374 HydrophobicContact CE1-CD1 3.56Å; F349-L374 HydrophobicContact CG-CD1 4.41Å; F349-L374 HydrophobicContact CG-CD2 4.05Å; F349-L374 HydrophobicContact CZ-CD1 4.26Å; A365-L374 HydrophobicContact CB-CB 4.09Å; A365-L374 HydrophobicContact CB-CD2 3.91Å; L374-F400 HydrophobicContact CB-CB 3.96Å; L374-F400 HydrophobicContact CB-CD1 3.89Å; L374-F400 HydrophobicContact CB-CD2 3.63Å; L374-F400 HydrophobicContact CB-CE1 4.2Å; L374-F400 HydrophobicContact CB-CE2 4Å; L374-F400 HydrophobicContact CB-CG 3.56Å; L374-F400 HydrophobicContact CB-CZ 4.26Å; L374-F400 HydrophobicContact CD1-CB 3.89Å; L374-F400 HydrophobicContact CD1-CD1 3.15Å; L374-F400 HydrophobicContact CD1-CD2 4.47Å; L374-F400 HydrophobicContact CD1-CE1 3.68Å; L374-F400 HydrophobicContact CD1-CG 3.61Å; L374-F400 HydrophobicContact CG-CB 4.37Å; L374-F400 HydrophobicContact CG-CD1 4.12Å; L374-F400 HydrophobicContact CG-CG 4.17Å | ||
| 375 | R | 51.2 | Low | 55.2 | Low | 195 Ų | 195 | 86.4 Ų | 86.4 | 74% | 0.736 | 44% | 0.437 | S | S | * | . | trans | -94.2 | 112.1 | 175 | -67.1 | -174.6 | -176.6 | -173.1 | 1.5 | 108.5 | A365 R373 L377 | A365-R375 WeakPolarHBondContact CA-O 3.27Å; A365-R375 WeakPolarHBondContact CB-O 3.22Å; R373-R375 PolarHBondContact O-N 3.28Å; R373-R375 VanDerWaalsContact O-N 3.14Å; R375-L377 PolarHBondContact O-N 2.97Å | ||
| 376 | S | 60.5 | Low | 54.4 | Low | 15 Ų | 15 | 87.9 Ų | 87.9 | 11% | 0.105 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -61.2 | 123 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | G378 K379 | S376-G378 VanDerWaalsContact C-N 3.29Å; S376-G378 PolarHBondContact O-N 2.81Å; S376-G378 PolarHBondContact OG-N 2.86Å; S376-K379 WeakPolarHBondContact O-CB 3.17Å; S376-K379 PolarHBondContact O-N 2.91Å |
| 377 | L | 65 | Low | 53.7 | Low | 1 Ų | 1 | 85.9 Ų | 85.9 | 1% | 0.005 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 176.3 | -73.7 | 178.6 | 0 | 0 | 0 | 112.1 | D342 L348 L364 H366 R375 K379 Q380 W381 | D342-L377 WeakPolarHBondContact OD2-CD2 3.42Å; L348-L377 HydrophobicContact CD1-CD1 4.02Å; L364-L377 HydrophobicContact CB-CD1 4.39Å; L364-L377 HydrophobicContact CD2-CD1 3.9Å; L364-L377 HydrophobicContact CG-CD1 3.91Å; L364-L377 PolarHBondContact O-N 2.59Å; H366-L377 VanDerWaalsContact CD2-CD2 3.42Å; H366-L377 WeakPolarHBondContact CD2-CD2 3.47Å; H366-L377 VanDerWaalsContact NE2-CD2 3.28Å; H366-L377 WeakPolarHBondContact NE2-CD2 3.2Å; R375-L377 PolarHBondContact O-N 2.97Å; L377-K379 PolarHBondContact O-N 3.07Å; L377-Q380 WeakPolarHBondContact O-CB 3.17Å; L377-Q380 PolarHBondContact O-N 2.84Å; L377-W381 HydrophobicContact CB-CH2 4.25Å; L377-W381 HydrophobicContact CB-CZ2 3.79Å; L377-W381 HydrophobicContact CD1-CZ2 4.21Å; L377-W381 HydrophobicContact CG-CZ2 4.47Å; L377-W381 PolarHBondContact O-N 3.09Å |
| 378 | G | 60.3 | Low | 53.6 | Low | 10 Ų | 10 | 90.3 Ų | 90.3 | 10% | 0.103 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.2 | -35.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S376 Q380 W381 V382 | S376-G378 VanDerWaalsContact C-N 3.29Å; S376-G378 PolarHBondContact O-N 2.81Å; S376-G378 PolarHBondContact OG-N 2.86Å; G378-Q380 VanDerWaalsContact C-N 3.34Å; G378-Q380 PolarHBondContact O-N 3.5Å; G378-W381 PolarHBondContact O-N 3.43Å; G378-V382 WeakPolarHBondContact O-CG2 3.44Å; G378-V382 PolarHBondContact O-N 3.06Å |
| 379 | K | 62.4 | Low | 53.3 | Low | 95 Ų | 95 | 88.4 Ų | 88.4 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 176.6 | -164.2 | 171.3 | -178.2 | 163.8 | 0 | 112 | S376 L377 T383 L395 D396 | S376-K379 WeakPolarHBondContact O-CB 3.17Å; S376-K379 PolarHBondContact O-N 2.91Å; L377-K379 PolarHBondContact O-N 3.07Å; K379-T383 PolarHBondContact O-N 3.17Å; K379-T383 VanDerWaalsContact O-N 3.13Å; K379-T383 PolarHBondContact O-OG1 3.25Å; K379-L395 HydrophobicContact CB-CD1 3.93Å; K379-L395 HydrophobicContact CD-CB 4.33Å; K379-L395 HydrophobicContact CD-CD1 4.27Å; K379-L395 HydrophobicContact CG-CD1 4.09Å; K379-D396 IonicContact NZ-OD1 3.02Å |
| 380 | Q | 61.8 | Low | 53.5 | Low | 77 Ų | 77 | 89.8 Ų | 89.8 | 36% | 0.36 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66 | -46.6 | 178.5 | -175.2 | 173.5 | -26 | 0 | 0 | 110.2 | Y338 L377 G378 V382 T383 D384 | Y338-Q380 PolarHBondContact OH-NE2 3.42Å; L377-Q380 WeakPolarHBondContact O-CB 3.17Å; L377-Q380 PolarHBondContact O-N 2.84Å; G378-Q380 VanDerWaalsContact C-N 3.34Å; G378-Q380 PolarHBondContact O-N 3.5Å; Q380-V382 VanDerWaalsContact C-N 3.33Å; Q380-V382 PolarHBondContact O-N 3.16Å; Q380-T383 WeakPolarHBondContact O-CB 3.41Å; Q380-T383 PolarHBondContact O-N 3.41Å; Q380-D384 PolarHBondContact O-N 2.8Å |
| 381 | W | 67.9 | Low | 53.4 | Low | 1 Ų | 1 | 86.4 Ų | 86.4 | 0% | 0.004 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.1 | -34.5 | -179.4 | -53.9 | -20.1 | 0 | 0 | 0 | 113.3 | P209 F212 L321 L324 Y338 V339 L377 G378 T383 D384 N385 L386 V387 | P209-W381 VanDerWaalsContact O-CZ3 3.22Å; P209-W381 WeakPolarHBondContact O-CZ3 3.46Å; F212-W381 AromaticContact CZ-CH2 3.84Å; F212-W381 HydrophobicContact CZ-CH2 3.84Å; F212-W381 HydrophobicContact CZ-CZ3 4.31Å; L321-W381 HydrophobicContact CD1-CE3 4.44Å; L321-W381 HydrophobicContact CD1-CH2 3.75Å; L321-W381 HydrophobicContact CD1-CZ3 3.39Å; L324-W381 HydrophobicContact CD1-CE3 3.64Å; L324-W381 HydrophobicContact CD1-CZ3 3.76Å; Y338-W381 AromaticContact CD1-CD1 3.78Å; Y338-W381 AromaticContact CD1-NE1 3.73Å; Y338-W381 AromaticContact CE1-CD1 3.36Å; Y338-W381 AromaticContact CE1-NE1 3.43Å; V339-W381 HydrophobicContact CB-CH2 4.4Å; V339-W381 HydrophobicContact CB-CZ2 4.43Å; V339-W381 HydrophobicContact CG1-CH2 3.91Å; V339-W381 HydrophobicContact CG1-CZ2 4.26Å; V339-W381 HydrophobicContact CG2-CD2 4.07Å; V339-W381 HydrophobicContact CG2-CE3 4.01Å; V339-W381 HydrophobicContact CG2-CH2 3.69Å; V339-W381 HydrophobicContact CG2-CZ2 3.75Å; V339-W381 HydrophobicContact CG2-CZ3 3.8Å; L377-W381 HydrophobicContact CB-CH2 4.25Å; L377-W381 HydrophobicContact CB-CZ2 3.79Å; L377-W381 HydrophobicContact CD1-CZ2 4.21Å; L377-W381 HydrophobicContact CG-CZ2 4.47Å; L377-W381 PolarHBondContact O-N 3.09Å; G378-W381 PolarHBondContact O-N 3.43Å; W381-T383 VanDerWaalsContact C-N 3.35Å; W381-D384 PolarHBondContact O-N 3.28Å; W381-N385 PolarHBondContact O-N 2.93Å; W381-L386 HydrophobicContact CB-CB 4.46Å; W381-L386 WeakPolarHBondContact O-CB 3.46Å; W381-L386 PolarHBondContact O-N 2.71Å; W381-V387 HydrophobicContact CB-CG1 4.27Å; W381-V387 HydrophobicContact CB-CG2 4.21Å |
| 382 | V | 63.2 | Low | 53.4 | Low | 41 Ų | 41 | 79.4 Ų | 79.4 | 25% | 0.248 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 169.9 | 166.5 | 0 | 0 | 0 | 0 | 110.8 | L324 G378 Q380 D384 N385 V387 V389 | L324-V382 HydrophobicContact CD2-CG2 4.4Å; G378-V382 WeakPolarHBondContact O-CG2 3.44Å; G378-V382 PolarHBondContact O-N 3.06Å; Q380-V382 VanDerWaalsContact C-N 3.33Å; Q380-V382 PolarHBondContact O-N 3.16Å; V382-D384 PolarHBondContact O-N 3.29Å; V382-N385 PolarHBondContact O-N 2.61Å; V382-V387 VanDerWaalsContact CA-CG2 3.45Å; V382-V387 HydrophobicContact CB-CG2 4.01Å; V382-V387 HydrophobicContact CG2-CG2 3.35Å; V382-V389 HydrophobicContact CB-CG2 3.97Å; V382-V389 HydrophobicContact CG1-CG2 3.22Å; V382-V389 HydrophobicContact CG2-CG2 3.41Å; V382-V389 VanDerWaalsContact CG2-CG2 3.41Å |
| 383 | T | 62.1 | Low | 53.6 | Low | 101 Ų | 101 | 80.5 Ų | 80.5 | 62% | 0.62 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.3 | -32.6 | -177.2 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | K379 Q380 W381 N385 | K379-T383 PolarHBondContact O-N 3.17Å; K379-T383 VanDerWaalsContact O-N 3.13Å; K379-T383 PolarHBondContact O-OG1 3.25Å; Q380-T383 WeakPolarHBondContact O-CB 3.41Å; Q380-T383 PolarHBondContact O-N 3.41Å; W381-T383 VanDerWaalsContact C-N 3.35Å; T383-N385 PolarHBondContact O-N 2.94Å |
| 384 | D | 62.6 | Low | 53.1 | Low | 75 Ų | 75 | 74.8 Ų | 74.8 | 40% | 0.401 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 9.3 | 177.6 | -64.1 | -13.8 | 0 | 0 | 0 | 113.2 | Y338 Q380 W381 V382 L386 | Y338-D384 PolarHBondContact OH-OD2 2.99Å; Q380-D384 PolarHBondContact O-N 2.8Å; W381-D384 PolarHBondContact O-N 3.28Å; V382-D384 PolarHBondContact O-N 3.29Å; D384-L386 HydrophobicContact CB-CD1 4.16Å; D384-L386 HydrophobicContact CB-CG 4.11Å; D384-L386 PolarHBondContact O-N 3.04Å |
| 385 | N | 60.1 | Low | 52.8 | Low | 153 Ų | 153 | 75 Ų | 75 | 82% | 0.818 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 23.3 | -177.8 | -68.1 | -43.8 | 0 | 0 | 0 | 114.9 | W381 V382 T383 | W381-N385 PolarHBondContact O-N 2.93Å; V382-N385 PolarHBondContact O-N 2.61Å; T383-N385 PolarHBondContact O-N 2.94Å |
| 386 | L | 57.4 | Low | 52.2 | Low | 30 Ų | 30 | 72 Ų | 72 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -81.4 | -19.3 | -179.3 | -62.3 | 174.3 | 0 | 0 | 0 | 112.7 | Y338 W381 D384 | Y338-L386 HydrophobicContact CD1-CD1 3.85Å; Y338-L386 HydrophobicContact CD2-CD1 3.76Å; Y338-L386 HydrophobicContact CE1-CD1 4.26Å; Y338-L386 HydrophobicContact CE2-CD1 4.12Å; Y338-L386 HydrophobicContact CG-CD1 3.58Å; W381-L386 HydrophobicContact CB-CB 4.46Å; W381-L386 WeakPolarHBondContact O-CB 3.46Å; W381-L386 PolarHBondContact O-N 2.71Å; D384-L386 HydrophobicContact CB-CD1 4.16Å; D384-L386 HydrophobicContact CB-CG 4.11Å; D384-L386 PolarHBondContact O-N 3.04Å |
| 387 | V | 54.8 | Low | 51 | Low | 14 Ų | 14 | 73.2 Ų | 73.2 | 9% | 0.085 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -143.1 | 149 | -170.9 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | L324 W331 W381 V382 | L324-V387 HydrophobicContact CD2-CB 3.93Å; L324-V387 HydrophobicContact CD2-CG1 4.02Å; L324-V387 HydrophobicContact CD2-CG2 3.6Å; W331-V387 HydrophobicContact CE3-CG1 4.47Å; W331-V387 HydrophobicContact CH2-CB 4.15Å; W331-V387 HydrophobicContact CH2-CG1 3.59Å; W331-V387 HydrophobicContact CZ3-CB 3.97Å; W331-V387 HydrophobicContact CZ3-CG1 3.31Å; W381-V387 HydrophobicContact CB-CG1 4.27Å; W381-V387 HydrophobicContact CB-CG2 4.21Å; V382-V387 VanDerWaalsContact CA-CG2 3.45Å; V382-V387 HydrophobicContact CB-CG2 4.01Å; V382-V387 HydrophobicContact CG2-CG2 3.35Å |
| 388 | Q | 51.1 | Low | 49.9 | Very low | 123 Ų | 123 | 79.5 Ų | 79.5 | 58% | 0.575 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 136.9 | 168 | -71.9 | -173.8 | 5.5 | 0 | 0 | 110.5 | ||
| 389 | V | 47.8 | Very low | 49 | Very low | 95 Ų | 95 | 82 Ų | 82 | 58% | 0.576 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.4 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | V382 | V382-V389 HydrophobicContact CB-CG2 3.97Å; V382-V389 HydrophobicContact CG1-CG2 3.22Å; V382-V389 HydrophobicContact CG2-CG2 3.41Å; V382-V389 VanDerWaalsContact CG2-CG2 3.41Å |
| 390 | F | 42.5 | Very low | 48 | Very low | 152 Ų | 152 | 80 Ų | 80 | 67% | 0.667 | 46% | 0.456 | S | S | * | . | trans | -109.1 | 139.2 | 157.6 | -137 | -93.7 | 0 | 0 | 0 | 110 | L325 A392 | L325-F390 HydrophobicContact CD1-CB 4.02Å; L325-F390 HydrophobicContact CD1-CD2 4.28Å; L325-F390 HydrophobicContact CD1-CG 4.29Å; F390-A392 PolarHBondContact O-N 3.33Å | ||
| 391 | G | 35.1 | Very low | 46.9 | Very low | 80 Ų | 80 | 80.7 Ų | 80.7 | 83% | 0.825 | 46% | 0.459 | S | S | * | . | trans | -56.2 | 96.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 392 | A | 34 | Very low | 45.5 | Very low | 48 Ų | 48 | 89.3 Ų | 89.3 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | trans | -133.4 | 122.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | F390 | F390-A392 PolarHBondContact O-N 3.33Š| ||
| 393 | I | 37.1 | Very low | 44.2 | Very low | 114 Ų | 114 | 91.5 Ų | 91.5 | 59% | 0.585 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 29 | 111.3 | 179.8 | -53.5 | 172.8 | 0 | 0 | 0 | 114.1 | L395 | I393-L395 PolarHBondContact O-N 3.35Š|
| 394 | P | 33.4 | Very low | 43.2 | Very low | 93 Ų | 93 | 93.7 Ų | 93.7 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | trans | -50.6 | 120.1 | 179.2 | 22 | -31 | 0 | 0 | 0 | 109 | D396 G397 | P394-D396 HydrophobicContact CB-CB 4.43Å; P394-D396 PolarHBondContact O-N 3.25Å; P394-G397 PolarHBondContact O-N 3.42Å | ||
| 395 | L | 38.8 | Very low | 41.9 | Very low | 63 Ų | 63 | 97.9 Ų | 97.9 | 33% | 0.33 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -0.6 | 174.3 | -74.6 | 161.3 | 0 | 0 | 0 | 112.2 | K379 I393 | K379-L395 HydrophobicContact CB-CD1 3.93Å; K379-L395 HydrophobicContact CD-CB 4.33Å; K379-L395 HydrophobicContact CD-CD1 4.27Å; K379-L395 HydrophobicContact CG-CD1 4.09Å; I393-L395 PolarHBondContact O-N 3.35Å |
| 396 | D | 38.8 | Very low | 40.9 | Very low | 132 Ų | 132 | 97.7 Ų | 97.7 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -20.7 | 169.8 | -55.6 | -25.9 | 0 | 0 | 0 | 112.1 | K379 P394 K398 | K379-D396 IonicContact NZ-OD1 3.02Å; P394-D396 HydrophobicContact CB-CB 4.43Å; P394-D396 PolarHBondContact O-N 3.25Å; D396-K398 PolarHBondContact O-N 2.84Å; D396-K398 VanDerWaalsContact O-N 3.16Å |
| 397 | G | 35.3 | Very low | 39.7 | Very low | 40 Ų | 40 | 108 Ų | 108 | 41% | 0.412 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -82.3 | 87.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P394 P399 | P394-G397 PolarHBondContact O-N 3.42Å; G397-P399 WeakPolarHBondContact O-CD 3.5Å |
| 398 | K | 41.1 | Very low | 39 | Very low | 133 Ų | 133 | 112.8 Ų | 112.8 | 58% | 0.578 | 63% | 0.633 | S | S | * | * | trans | -23.5 | 82.6 | 172.6 | -63.8 | 158.8 | 160.6 | -156.6 | 0 | 113.6 | D396 F400 E401 | D396-K398 PolarHBondContact O-N 2.84Å; D396-K398 VanDerWaalsContact O-N 3.16Å; K398-F400 PolarHBondContact O-N 2.68Å; K398-F400 VanDerWaalsContact O-N 3.15Å; K398-E401 HydrophobicContact CB-CB 3.82Å; K398-E401 HydrophobicContact CB-CG 3.82Å; K398-E401 HydrophobicContact CD-CB 4.26Å; K398-E401 HydrophobicContact CD-CG 4.08Å; K398-E401 WeakPolarHBondContact CD-OE1 3.1Å; K398-E401 WeakPolarHBondContact CD-OE2 3.47Å; K398-E401 WeakPolarHBondContact CE-OE1 3.23Å; K398-E401 WeakPolarHBondContact CE-OE2 3.37Å; K398-E401 HydrophobicContact CG-CB 4.38Å; K398-E401 HydrophobicContact CG-CG 3.97Å; K398-E401 WeakPolarHBondContact CG-OE1 3.02Å; K398-E401 IonicContact NZ-OE1 3.65Å; K398-E401 IonicContact NZ-OE2 2.95Å; K398-E401 PolarHBondContact NZ-OE2 3.27Å; K398-E401 PolarHBondContact O-N 3.34Å | ||
| 399 | P | 41 | Very low | 38.3 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 40% | 0.396 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | -0.9 | -177.5 | 23.9 | -14.2 | 0 | 0 | 0 | 111.3 | G397 | G397-P399 WeakPolarHBondContact O-CD 3.5Š|
| 400 | F | 42.8 | Very low | 37.8 | Very low | 53 Ų | 53 | 113.2 Ų | 113.2 | 23% | 0.232 | 64% | 0.64 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -123.5 | 3 | -173.9 | -59.7 | -61.1 | 0 | 0 | 0 | 112.6 | F349 L351 L374 K398 | F349-F400 HydrophobicContact CD1-CE1 4.46Å; F349-F400 HydrophobicContact CE1-CD1 4.45Å; F349-F400 HydrophobicContact CE1-CE1 4.13Å; L351-F400 HydrophobicContact CB-CE1 4.09Å; L351-F400 HydrophobicContact CD2-CD1 4.22Å; L351-F400 HydrophobicContact CD2-CE1 3.65Å; L351-F400 HydrophobicContact CD2-CZ 4.35Å; L351-F400 HydrophobicContact CG-CE1 4.46Å; L374-F400 HydrophobicContact CB-CB 3.96Å; L374-F400 HydrophobicContact CB-CD1 3.89Å; L374-F400 HydrophobicContact CB-CD2 3.63Å; L374-F400 HydrophobicContact CB-CE1 4.2Å; L374-F400 HydrophobicContact CB-CE2 4Å; L374-F400 HydrophobicContact CB-CG 3.56Å; L374-F400 HydrophobicContact CB-CZ 4.26Å; L374-F400 HydrophobicContact CD1-CB 3.89Å; L374-F400 HydrophobicContact CD1-CD1 3.15Å; L374-F400 HydrophobicContact CD1-CD2 4.47Å; L374-F400 HydrophobicContact CD1-CE1 3.68Å; L374-F400 HydrophobicContact CD1-CG 3.61Å; L374-F400 HydrophobicContact CG-CB 4.37Å; L374-F400 HydrophobicContact CG-CD1 4.12Å; L374-F400 HydrophobicContact CG-CG 4.17Å; K398-F400 PolarHBondContact O-N 2.68Å; K398-F400 VanDerWaalsContact O-N 3.15Å |
| 401 | E | 39.1 | Very low | 37.5 | Very low | 92 Ų | 92 | 110.9 Ų | 110.9 | 43% | 0.43 | 64% | 0.638 | S | S | . | * | trans | -98 | 109.2 | 169.7 | -63.5 | -172.4 | -161.6 | 0 | 0 | 107.5 | K398 A403 | K398-E401 HydrophobicContact CB-CB 3.82Å; K398-E401 HydrophobicContact CB-CG 3.82Å; K398-E401 HydrophobicContact CD-CB 4.26Å; K398-E401 HydrophobicContact CD-CG 4.08Å; K398-E401 WeakPolarHBondContact CD-OE1 3.1Å; K398-E401 WeakPolarHBondContact CD-OE2 3.47Å; K398-E401 WeakPolarHBondContact CE-OE1 3.23Å; K398-E401 WeakPolarHBondContact CE-OE2 3.37Å; K398-E401 HydrophobicContact CG-CB 4.38Å; K398-E401 HydrophobicContact CG-CG 3.97Å; K398-E401 WeakPolarHBondContact CG-OE1 3.02Å; K398-E401 IonicContact NZ-OE1 3.65Å; K398-E401 IonicContact NZ-OE2 2.95Å; K398-E401 PolarHBondContact NZ-OE2 3.27Å; K398-E401 PolarHBondContact O-N 3.34Å; E401-A403 PolarHBondContact O-N 2.97Å | ||
| 402 | Q | 36.8 | Very low | 37.7 | Very low | 182 Ų | 182 | 112.8 Ų | 112.8 | 85% | 0.85 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 131 | 156.5 | -84.4 | 175 | -36.8 | 0 | 0 | 106.7 | D404 | Q402-D404 PolarHBondContact O-N 3.48Å; Q402-D404 VanDerWaalsContact O-N 3.16Å |
| 403 | A | 37.4 | Very low | 37.9 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 72% | 0.719 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 121.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | E401 D405 | E401-A403 PolarHBondContact O-N 2.97Å; A403-D405 PolarHBondContact O-N 3.24Å; A403-D405 VanDerWaalsContact O-N 3.17Å |
| 404 | D | 40.1 | Very low | 38 | Very low | 148 Ų | 148 | 117.4 Ų | 117.4 | 79% | 0.791 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 118.6 | 162.7 | -74.7 | -39.9 | 0 | 0 | 0 | 105.9 | Q402 D406 | Q402-D404 PolarHBondContact O-N 3.48Å; Q402-D404 VanDerWaalsContact O-N 3.16Å; D404-D406 PolarHBondContact O-N 3.47Å |
| 405 | D | 34.8 | Very low | 38.4 | Very low | 162 Ų | 162 | 119.2 Ų | 119.2 | 87% | 0.866 | 65% | 0.649 | S | S | * | * | trans | -61.2 | 105.1 | 169.7 | -78.9 | -32.1 | 0 | 0 | 0 | 107.7 | A403 | A403-D405 PolarHBondContact O-N 3.24Å; A403-D405 VanDerWaalsContact O-N 3.17Å | ||
| 406 | D | 40.2 | Very low | 38.3 | Very low | 150 Ų | 150 | 123.9 Ų | 123.9 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | trans | -122.4 | 114 | 159.4 | -82.7 | -31 | 0 | 0 | 0 | 107.3 | D404 | D404-D406 PolarHBondContact O-N 3.47Š| ||
| 407 | D | 32.6 | Very low | 38.3 | Very low | 247 Ų | 247 | 123.2 Ų | 123.2 | 100% | 1.321 | 67% | 0.673 | S | S | * | * | trans | 89.3 | 0 | 178 | -65.3 | -23.9 | 0 | 0 | 0 | 120.4 |
Retrieved 407 of 407 residues in 677.2 ms
(Link to these results)