| 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 | 47.3 | Very low | 53.9 | Low | 248 Ų | 248 | 144.8 Ų | 144.8 | 100% | 1.222 | 85% | 0.853 | S | S | * | * | 0 | 162.9 | 0 | -70 | -175.1 | 172.2 | 0 | 0 | 108 | |||||
| 2 | A | 45.8 | Very low | 54.4 | Low | 93 Ų | 93 | 149 Ų | 149 | 77% | 0.769 | 85% | 0.853 | S | S | * | * | trans | -58.8 | 171.1 | -169 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3 | I | 64.9 | Low | 54 | Low | 139 Ų | 139 | 155.7 Ų | 155.7 | 71% | 0.713 | 86% | 0.855 | S | S | * | * | cis | -154.1 | 144.2 | 27.8 | -44.6 | 157.3 | 0 | 0 | 0 | 110 | ||||
| 4 | D | 47.7 | Very low | 54.1 | Low | 159 Ų | 159 | 162.9 Ų | 162.9 | 85% | 0.85 | 86% | 0.864 | S | S | * | * | trans | -89.5 | 131.8 | 163.4 | -84.8 | -73.8 | 0 | 0 | 0 | 111.3 | ||||
| 5 | H | 63.3 | Low | 53.7 | Low | 174 Ų | 174 | 156.7 Ų | 156.7 | 81% | 0.806 | 85% | 0.854 | S | S | * | * | trans | -142.7 | 152.6 | 165.1 | -80.6 | -48.1 | 0 | 0 | 0 | 113.1 | ||||
| 6 | A | 54.5 | Low | 53.7 | Low | 101 Ų | 101 | 153.6 Ų | 153.6 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | trans | -97.7 | 176.5 | -146.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 7 | T | 48.6 | Very low | 53.8 | Low | 137 Ų | 137 | 156.4 Ų | 156.4 | 84% | 0.84 | 86% | 0.864 | S | S | * | * | trans | -88.6 | -166.4 | -167 | -18.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 8 | P | 55.3 | Low | 53.4 | Low | 112 Ų | 112 | 152 Ų | 152 | 73% | 0.727 | 86% | 0.86 | S | S | * | * | -118.6 | 173.2 | -119.1 | 42.4 | -26.4 | 0 | 0 | 0 | 116.3 | |||||
| 9 | L | 59.4 | Low | 53 | Low | 180 Ų | 180 | 148.4 Ų | 148.4 | 94% | 0.942 | 86% | 0.86 | S | S | * | * | trans | -123.6 | 142 | 158.9 | -54.8 | 172.5 | 0 | 0 | 0 | 107 | ||||
| 10 | G | 48.6 | Very low | 52.6 | Low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 86% | 0.856 | S | S | * | * | cis | 130.4 | 73.3 | 5.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 11 | L | 57.2 | Low | 52.2 | Low | 177 Ų | 177 | 141.3 Ų | 141.3 | 93% | 0.927 | 85% | 0.851 | S | S | * | * | trans | -142.9 | 116.7 | 173.7 | -149.3 | 66.8 | 0 | 0 | 0 | 117.5 | ||||
| 12 | K | 60.8 | Low | 52.2 | Low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 84% | 0.836 | S | S | * | * | trans | -14.4 | 128.8 | 163.2 | -124.4 | 87.4 | 152.3 | -169.5 | 0 | 120.5 | ||||
| 13 | R | 49.1 | Very low | 52.5 | Low | 236 Ų | 236 | 139.9 Ų | 139.9 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | trans | -24.3 | 134.2 | 154.5 | -60.3 | 168.2 | 176.4 | -102.3 | -0.9 | 118.9 | ||||
| 14 | R | 55.6 | Low | 51.6 | Low | 257 Ų | 257 | 139.4 Ų | 139.4 | 97% | 0.97 | 84% | 0.836 | S | S | * | * | trans | -174.7 | 156.5 | 137.6 | -93.9 | 158.8 | -152.8 | -128.2 | 3.7 | 107.3 | ||||
| 15 | G | 46.9 | Very low | 52 | Low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | cis | 172.3 | 161.9 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 16 | A | 54.7 | Low | 51.6 | Low | 107 Ų | 107 | 130.3 Ų | 130.3 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | trans | 68 | 119.8 | 167 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 17 | M | 54.5 | Low | 51.6 | Low | 201 Ų | 201 | 128.2 Ų | 128.2 | 99% | 0.99 | 78% | 0.784 | S | S | * | * | trans | -12.1 | 137.3 | 151.8 | -66.9 | 159.2 | 156.9 | 0 | 0 | 120 | ||||
| 18 | G | 47 | Very low | 51.9 | Low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | -163.3 | 105.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G20 | G18-G20 PolarHBondContact O-N 2.84Š| ||
| 19 | G | 45.1 | Very low | 52.1 | Low | 84 Ų | 84 | 121.8 Ų | 121.8 | 87% | 0.866 | 74% | 0.742 | S | S | * | * | trans | -73.2 | 121.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G21 | G19-G21 PolarHBondContact O-N 3.44Å; G19-G21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | G | 45.9 | Very low | 52.4 | Low | 75 Ų | 75 | 124.5 Ų | 124.5 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -73.4 | 97.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G18 E22 | G18-G20 PolarHBondContact O-N 2.84Å; G20-E22 PolarHBondContact O-N 2.84Å | ||
| 21 | G | 44.7 | Very low | 54.2 | Low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | -75.3 | 98 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G19 C23 | G19-G21 PolarHBondContact O-N 3.44Å; G19-G21 VanDerWaalsContact O-N 3.15Å; G21-C23 PolarHBondContact O-N 2.75Å; G21-C23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | E | 47.1 | Very low | 55.8 | Low | 194 Ų | 194 | 120.3 Ų | 120.3 | 91% | 0.907 | 69% | 0.689 | S | S | * | * | trans | -59.7 | 110.8 | 166.8 | -72.6 | 172.9 | 85.3 | 0 | 0 | 108.6 | G20 D24 | G20-E22 PolarHBondContact O-N 2.84Å; E22-D24 PolarHBondContact O-N 3.15Å | ||
| 23 | C | 52.1 | Low | 57.4 | Low | 116 Ų | 116 | 112.9 Ų | 112.9 | 78% | 0.784 | 66% | 0.66 | S | S | * | * | trans | -73.5 | 118.4 | 178.3 | 49.3 | 0 | 0 | 0 | 0 | 110 | G21 D25 | G21-C23 PolarHBondContact O-N 2.75Å; G21-C23 VanDerWaalsContact O-N 3.08Å; C23-D25 VanDerWaalsContact C-N 3.28Å; C23-D25 PolarHBondContact O-N 3.21Å | ||
| 24 | D | 46 | Very low | 59.6 | Low | 130 Ų | 130 | 106.2 Ų | 106.2 | 70% | 0.695 | 65% | 0.648 | S | S | * | * | trans | -64 | 78 | 176.5 | 179.6 | -124.3 | 0 | 0 | 0 | 112.4 | E22 | E22-D24 PolarHBondContact O-N 3.15Š| ||
| 25 | D | 55.7 | Low | 61.5 | Low | 92 Ų | 92 | 95.1 Ų | 95.1 | 49% | 0.492 | 61% | 0.606 | S | S | . | * | trans | -79.3 | -4.9 | 169.2 | -163.3 | 54.6 | 0 | 0 | 0 | 112.1 | C23 S27 R37 | C23-D25 VanDerWaalsContact C-N 3.28Å; C23-D25 PolarHBondContact O-N 3.21Å; D25-S27 VanDerWaalsContact C-N 3.27Å; D25-S27 PolarHBondContact O-N 2.77Å; D25-R37 IonicContact OD1-CZ 3.53Å; D25-R37 IonicContact OD1-NH1 2.99Å; D25-R37 PolarHBondContact OD1-NH1 3.35Å; D25-R37 IonicContact OD2-NH1 2.67Å | ||
| 26 | G | 55.2 | Low | 63.8 | Low | 49 Ų | 49 | 91.9 Ų | 91.9 | 51% | 0.505 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | -23.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T29 | G26-T29 PolarHBondContact O-OG1 2.7Š|
| 27 | S | 53.4 | Low | 65.8 | Low | 57 Ų | 57 | 90.8 Ų | 90.8 | 40% | 0.399 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -22.9 | -171.6 | 65.6 | 0 | 0 | 0 | 0 | 115.4 | D25 | D25-S27 VanDerWaalsContact C-N 3.27Å; D25-S27 PolarHBondContact O-N 2.77Å |
| 28 | D | 55.7 | Low | 67.8 | Low | 20 Ų | 20 | 83.3 Ų | 83.3 | 11% | 0.107 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -83.1 | -19.2 | -177.7 | -95 | -25.9 | 0 | 0 | 0 | 113.8 | R30 R31 R37 R165 | D28-R30 PolarHBondContact O-N 3.22Å; D28-R30 VanDerWaalsContact O-N 3.07Å; D28-R31 PolarHBondContact O-N 3.3Å; D28-R37 VanDerWaalsContact CB-NH2 3.31Å; D28-R37 VanDerWaalsContact CG-NH2 3.3Å; D28-R37 IonicContact OD2-CZ 3.4Å; D28-R37 IonicContact OD2-NH2 3.14Å; D28-R37 PolarHBondContact OD2-NH2 3.09Å; D28-R165 PolarHBondContact OD1-N 3.37Å |
| 29 | T | 59.4 | Low | 70.2 | Confident | 95 Ų | 95 | 79.6 Ų | 79.6 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -57.8 | -22.3 | 179.6 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | G26 | G26-T29 PolarHBondContact O-OG1 2.7Š|
| 30 | R | 66.4 | Low | 72.7 | Confident | 237 Ų | 237 | 76.7 Ų | 76.7 | 89% | 0.894 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -79.5 | -11.4 | -179.7 | -70.2 | -172.1 | 178.4 | -118.9 | 3 | 115.1 | D28 | D28-R30 PolarHBondContact O-N 3.22Å; D28-R30 VanDerWaalsContact O-N 3.07Å |
| 31 | R | 86.1 | Confident | 75.1 | Confident | 128 Ų | 128 | 77.9 Ų | 77.9 | 48% | 0.483 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -23 | -176.7 | -78.5 | -172.8 | 167.6 | -174.9 | -2.7 | 114.7 | D28 T163 | D28-R31 PolarHBondContact O-N 3.3Å; R31-T163 PolarHBondContact NH1-O 2.69Å |
| 32 | W | 91.5 | Very high | 77.6 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 13% | 0.129 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -129 | 144.7 | -170.6 | -71.2 | 110.8 | 0 | 0 | 0 | 110.3 | L36 L106 K159 I160 T163 | W32-L36 HydrophobicContact CB-CD2 4.32Å; W32-L36 HydrophobicContact CD2-CD2 3.94Å; W32-L36 HydrophobicContact CE3-CD2 3.39Å; W32-L36 HydrophobicContact CG-CD2 4.36Å; W32-L36 HydrophobicContact CZ3-CD2 3.96Å; W32-L106 HydrophobicContact CE3-CD1 3.98Å; W32-L106 HydrophobicContact CZ3-CD1 3.84Å; W32-L106 HydrophobicContact CZ3-CG 4.5Å; W32-K159 HydrophobicContact CH2-CD 3.83Å; W32-K159 HydrophobicContact CH2-CG 3.81Å; W32-K159 HydrophobicContact CZ2-CG 4.03Å; W32-I160 HydrophobicContact CD2-CG1 4.09Å; W32-I160 HydrophobicContact CG-CG1 4.44Å; W32-I160 HydrophobicContact CZ2-CG1 4.14Å; W32-T163 VanDerWaalsContact CZ2-OG1 3.29Å; W32-T163 WeakPolarHBondContact CZ2-OG1 3.34Å |
| 33 | P | 94.4 | Very high | 79.9 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 25% | 0.247 | 39% | 0.391 | C | S | . | . | trans | -56.3 | 138.8 | 174.5 | -24.2 | 34.6 | 0 | 0 | 0 | 110.8 | W35 L36 L106 | P33-W35 HydrophobicContact CB-CD2 4.03Å; P33-W35 VanDerWaalsContact CB-CE2 3.45Å; P33-W35 HydrophobicContact CB-CG 4.18Å; P33-W35 HydrophobicContact CB-CZ2 3.88Å; P33-W35 VanDerWaalsContact CB-NE1 3.27Å; P33-W35 HydrophobicContact CG-CZ2 3.95Å; P33-W35 PolarHBondContact O-N 2.82Å; P33-W35 VanDerWaalsContact O-N 3.08Å; P33-L36 WeakPolarHBondContact O-CB 3.29Å; P33-L36 PolarHBondContact O-N 3.22Å; P33-L106 HydrophobicContact CG-CD1 3.91Å | ||
| 34 | P | 94.3 | Very high | 82.1 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 62% | 0.623 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.2 | -172.5 | 23.6 | -34.4 | 0 | 0 | 0 | 112.6 | L36 P38 M67 | P34-L36 VanDerWaalsContact C-N 3.28Å; P34-L36 PolarHBondContact O-N 2.92Å; P34-P38 WeakPolarHBondContact O-CD 3.38Å; P34-M67 VanDerWaalsContact C-SD 3.55Å; P34-M67 HydrophobicContact CB-SD 3.97Å; P34-M67 HydrophobicContact CG-SD 4.3Å |
| 35 | W | 95.8 | Very high | 84.4 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 10% | 0.095 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.2 | 178.5 | 58.8 | -109.8 | 0 | 0 | 0 | 115 | P33 L39 Y62 L64 M67 I102 V105 L106 | P33-W35 HydrophobicContact CB-CD2 4.03Å; P33-W35 VanDerWaalsContact CB-CE2 3.45Å; P33-W35 HydrophobicContact CB-CG 4.18Å; P33-W35 HydrophobicContact CB-CZ2 3.88Å; P33-W35 VanDerWaalsContact CB-NE1 3.27Å; P33-W35 HydrophobicContact CG-CZ2 3.95Å; P33-W35 PolarHBondContact O-N 2.82Å; P33-W35 VanDerWaalsContact O-N 3.08Å; W35-L39 HydrophobicContact CE3-CB 4.45Å; W35-L39 HydrophobicContact CE3-CD2 3.94Å; W35-L39 HydrophobicContact CZ3-CD2 3.65Å; W35-L39 WeakPolarHBondContact O-CB 3.43Å; W35-L39 PolarHBondContact O-N 3.08Å; W35-Y62 HydrophobicContact CB-CE1 4.41Å; W35-Y62 PolarHBondContact O-OH 2.92Å; W35-Y62 VanDerWaalsContact O-OH 3.04Å; W35-L64 HydrophobicContact CB-CB 4.47Å; W35-L64 VanDerWaalsContact CB-O 3.28Å; W35-L64 WeakPolarHBondContact CB-O 3.25Å; W35-L64 HydrophobicContact CD2-CB 4.42Å; W35-L64 HydrophobicContact CD2-CD2 3.72Å; W35-L64 HydrophobicContact CE3-CD2 3.67Å; W35-L64 HydrophobicContact CG-CB 4.08Å; W35-L64 HydrophobicContact CG-CD2 4.14Å; W35-L64 HydrophobicContact CZ3-CD2 4.1Å; W35-M67 WeakPolarHBondContact CA-SD 3.33Å; W35-M67 HydrophobicContact CB-CG 3.64Å; W35-M67 HydrophobicContact CB-SD 3.9Å; W35-M67 PolarHBondContact N-SD 2.88Å; W35-M67 VanDerWaalsContact N-SD 3.43Å; W35-I102 HydrophobicContact CH2-CD1 3.85Å; W35-I102 HydrophobicContact CZ3-CD1 4.19Å; W35-V105 HydrophobicContact CH2-CG2 3.93Å; W35-V105 HydrophobicContact CZ2-CB 4.09Å; W35-V105 HydrophobicContact CZ2-CG2 3.79Å; W35-L106 HydrophobicContact CH2-CB 4.01Å; W35-L106 HydrophobicContact CH2-CD1 4.24Å; W35-L106 HydrophobicContact CH2-CD2 4.2Å; W35-L106 HydrophobicContact CH2-CG 4.4Å; W35-L106 HydrophobicContact CZ2-CB 4.43Å; W35-L106 HydrophobicContact CZ2-CD1 4.49Å |
| 36 | L | 96 | Very high | 86.3 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -76.2 | -40.5 | -169.3 | -179.5 | 61.3 | 0 | 0 | 0 | 112.8 | W32 P33 P34 L39 L40 L106 I160 | W32-L36 HydrophobicContact CB-CD2 4.32Å; W32-L36 HydrophobicContact CD2-CD2 3.94Å; W32-L36 HydrophobicContact CE3-CD2 3.39Å; W32-L36 HydrophobicContact CG-CD2 4.36Å; W32-L36 HydrophobicContact CZ3-CD2 3.96Å; P33-L36 WeakPolarHBondContact O-CB 3.29Å; P33-L36 PolarHBondContact O-N 3.22Å; P34-L36 VanDerWaalsContact C-N 3.28Å; P34-L36 PolarHBondContact O-N 2.92Å; L36-L39 HydrophobicContact CD1-CD2 4.26Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 3.29Å; L36-L106 HydrophobicContact CD1-CD2 3.94Å; L36-L106 HydrophobicContact CD2-CD1 3.95Å; L36-L106 HydrophobicContact CD2-CD2 4.02Å; L36-I160 HydrophobicContact CD1-CD1 4.26Å; L36-I160 HydrophobicContact CD2-CD1 3.45Å; L36-I160 VanDerWaalsContact CD2-CD1 3.45Å; L36-I160 HydrophobicContact CD2-CG1 3.84Å; L36-I160 HydrophobicContact CG-CD1 3.5Å; L36-I160 VanDerWaalsContact CG-CD1 3.5Å; L36-I160 HydrophobicContact CG-CG1 4.43Å |
| 37 | R | 95.1 | Very high | 88.3 | Confident | 85 Ų | 85 | 62 Ų | 62 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -48.9 | 175 | -73.2 | -177.5 | 172.7 | -144.7 | -3.8 | 111.8 | D25 D28 L39 L40 S41 | D25-R37 IonicContact OD1-CZ 3.53Å; D25-R37 IonicContact OD1-NH1 2.99Å; D25-R37 PolarHBondContact OD1-NH1 3.35Å; D25-R37 IonicContact OD2-NH1 2.67Å; D28-R37 VanDerWaalsContact CB-NH2 3.31Å; D28-R37 VanDerWaalsContact CG-NH2 3.3Å; D28-R37 IonicContact OD2-CZ 3.4Å; D28-R37 IonicContact OD2-NH2 3.14Å; D28-R37 PolarHBondContact OD2-NH2 3.09Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 3.43Å; R37-L40 PolarHBondContact O-N 2.81Å; R37-L40 VanDerWaalsContact O-N 3.17Å; R37-S41 PolarHBondContact O-N 2.86Å; R37-S41 PolarHBondContact O-OG 2.66Å |
| 38 | P | 96.9 | Very high | 90.3 | Very high | 43 Ų | 43 | 59.6 Ų | 59.6 | 28% | 0.279 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 173.8 | -25.4 | 35.4 | 0 | 0 | 0 | 112.9 | P34 L40 S41 A42 Y62 | P34-P38 WeakPolarHBondContact O-CD 3.38Å; P38-L40 VanDerWaalsContact C-N 3.34Å; P38-L40 PolarHBondContact O-N 3.42Å; P38-S41 WeakPolarHBondContact CA-OG 3.27Å; P38-S41 PolarHBondContact O-N 2.7Å; P38-S41 VanDerWaalsContact O-N 3.13Å; P38-S41 PolarHBondContact O-OG 3.23Å; P38-A42 WeakPolarHBondContact O-CB 3.27Å; P38-A42 PolarHBondContact O-N 3.13Å; P38-Y62 WeakPolarHBondContact CB-OH 3.45Å |
| 39 | L | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55 | -45.2 | 174.6 | 169.2 | 62.6 | 0 | 0 | 0 | 112.7 | W35 L36 R37 S41 A42 F44 Y62 I86 I88 I97 L124 | W35-L39 HydrophobicContact CE3-CB 4.45Å; W35-L39 HydrophobicContact CE3-CD2 3.94Å; W35-L39 HydrophobicContact CZ3-CD2 3.65Å; W35-L39 WeakPolarHBondContact O-CB 3.43Å; W35-L39 PolarHBondContact O-N 3.08Å; L36-L39 HydrophobicContact CD1-CD2 4.26Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 3.43Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 3.17Å; L39-A42 PolarHBondContact O-N 2.84Å; L39-F44 HydrophobicContact CD1-CE2 4.14Å; L39-F44 HydrophobicContact CD1-CZ 3.79Å; L39-Y62 HydrophobicContact CB-CD1 4.3Å; L39-Y62 HydrophobicContact CB-CE1 3.76Å; L39-Y62 HydrophobicContact CB-CE2 4.41Å; L39-Y62 HydrophobicContact CD1-CD1 3.81Å; L39-Y62 HydrophobicContact CD1-CD2 4.27Å; L39-Y62 HydrophobicContact CD1-CE1 4.15Å; L39-Y62 HydrophobicContact CD1-CG 3.86Å; L39-Y62 HydrophobicContact CG-CD1 4.5Å; L39-Y62 HydrophobicContact CG-CE1 4.42Å; L39-Y62 PolarHBondContact N-OH 3Å; L39-I86 HydrophobicContact CD1-CD1 4.01Å; L39-I86 HydrophobicContact CD2-CD1 3.74Å; L39-I88 HydrophobicContact CD1-CD1 3.84Å; L39-I97 HydrophobicContact CD2-CD1 4.21Å; L39-L124 HydrophobicContact CD1-CD2 4.13Å; L39-L124 HydrophobicContact CG-CD2 4.33Å |
| 40 | L | 96.9 | Very high | 93.9 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.1 | -22.5 | -179.5 | -66.6 | -173.3 | 0 | 0 | 0 | 113.8 | L36 R37 P38 L124 N125 L156 G157 I160 | L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 3.29Å; R37-L40 PolarHBondContact O-N 2.81Å; R37-L40 VanDerWaalsContact O-N 3.17Å; P38-L40 VanDerWaalsContact C-N 3.34Å; P38-L40 PolarHBondContact O-N 3.42Å; L40-L124 HydrophobicContact CD2-CB 3.58Å; L40-L124 HydrophobicContact CD2-CD2 4.31Å; L40-L124 HydrophobicContact CD2-CG 3.85Å; L40-L124 WeakPolarHBondContact CD2-O 3.03Å; L40-N125 PolarHBondContact O-ND2 2.81Å; L40-L156 HydrophobicContact CD2-CB 4.22Å; L40-G157 VanDerWaalsContact CD1-CA 3.43Å; L40-I160 HydrophobicContact CD1-CD1 3.41Å; L40-I160 VanDerWaalsContact CD1-CD1 3.41Å; L40-I160 HydrophobicContact CG-CD1 4.47Å |
| 41 | S | 96.4 | Very high | 95.3 | Very high | 99 Ų | 99 | 62.9 Ų | 62.9 | 69% | 0.692 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -89.7 | -13.8 | 175.7 | 67.7 | 0 | 0 | 0 | 0 | 114.3 | R37 P38 L39 | R37-S41 PolarHBondContact O-N 2.86Å; R37-S41 PolarHBondContact O-OG 2.66Å; P38-S41 WeakPolarHBondContact CA-OG 3.27Å; P38-S41 PolarHBondContact O-N 2.7Å; P38-S41 VanDerWaalsContact O-N 3.13Å; P38-S41 PolarHBondContact O-OG 3.23Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 3.17Å |
| 42 | A | 96.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | trans | -73.4 | 142.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P38 L39 F44 Y62 | P38-A42 WeakPolarHBondContact O-CB 3.27Å; P38-A42 PolarHBondContact O-N 3.13Å; L39-A42 PolarHBondContact O-N 2.84Å; A42-F44 HydrophobicContact CB-CE1 4.36Å; A42-F44 HydrophobicContact CB-CE2 3.68Å; A42-F44 HydrophobicContact CB-CZ 3.55Å; A42-F44 WeakPolarHBondContact O-CD2 3.39Å; A42-F44 WeakPolarHBondContact O-CE2 3.22Å; A42-Y62 HydrophobicContact CB-CE2 4.41Å | ||
| 43 | S | 96.6 | Very high | 95.7 | Very high | 85 Ų | 85 | 65.1 Ų | 65.1 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | trans | -90.5 | 112.6 | 175.3 | 50.3 | 0 | 0 | 0 | 0 | 111.3 | A70 | S43-A70 WeakPolarHBondContact O-CB 3.29Š| ||
| 44 | F | 97.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 64.8 Ų | 64.8 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | trans | -96.1 | 164.7 | 179.2 | -63.9 | -73 | 0 | 0 | 0 | 112.8 | L39 A42 V46 Y62 A70 I88 L124 | L39-F44 HydrophobicContact CD1-CE2 4.14Å; L39-F44 HydrophobicContact CD1-CZ 3.79Å; A42-F44 HydrophobicContact CB-CE1 4.36Å; A42-F44 HydrophobicContact CB-CE2 3.68Å; A42-F44 HydrophobicContact CB-CZ 3.55Å; A42-F44 WeakPolarHBondContact O-CD2 3.39Å; A42-F44 WeakPolarHBondContact O-CE2 3.22Å; F44-V46 PolarHBondContact O-N 2.94Å; F44-Y62 HydrophobicContact CE1-CD2 4.09Å; F44-Y62 HydrophobicContact CE1-CG 4.41Å; F44-Y62 AromaticContact CZ-CD2 3.87Å; F44-Y62 HydrophobicContact CZ-CD2 3.87Å; F44-Y62 HydrophobicContact CZ-CG 4.25Å; F44-A70 HydrophobicContact CD1-CB 3.45Å; F44-A70 VanDerWaalsContact CD1-CB 3.45Å; F44-A70 HydrophobicContact CE1-CB 3.58Å; F44-A70 HydrophobicContact CG-CB 4.35Å; F44-I88 HydrophobicContact CB-CG2 4.24Å; F44-I88 HydrophobicContact CD1-CB 3.98Å; F44-I88 HydrophobicContact CD1-CG1 3.56Å; F44-I88 HydrophobicContact CD1-CG2 4.4Å; F44-I88 HydrophobicContact CD2-CB 4.38Å; F44-I88 HydrophobicContact CD2-CG1 4.05Å; F44-I88 HydrophobicContact CD2-CG2 3.95Å; F44-I88 HydrophobicContact CE1-CB 4.39Å; F44-I88 HydrophobicContact CE1-CD1 4.48Å; F44-I88 HydrophobicContact CE1-CG1 3.46Å; F44-I88 VanDerWaalsContact CE1-CG1 3.46Å; F44-I88 HydrophobicContact CE2-CG1 3.94Å; F44-I88 HydrophobicContact CE2-CG2 4.49Å; F44-I88 HydrophobicContact CG-CB 4Å; F44-I88 HydrophobicContact CG-CG1 3.88Å; F44-I88 HydrophobicContact CG-CG2 3.9Å; F44-I88 HydrophobicContact CZ-CD1 4.31Å; F44-I88 HydrophobicContact CZ-CG1 3.67Å; F44-L124 HydrophobicContact CE2-CD2 4.14Å | ||
| 45 | F | 96.1 | Very high | 95.3 | Very high | 33 Ų | 33 | 69.2 Ų | 69.2 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 61.5 | 27.2 | 178.6 | -43.9 | -89.9 | 0 | 0 | 0 | 113.9 | E58 C59 N60 I88 R89 R90 D95 | F45-E58 HydrophobicContact CB-CG 4.19Å; F45-E58 HydrophobicContact CD1-CG 4.26Å; F45-E58 WeakPolarHBondContact CD1-OE1 3.13Å; F45-C59 PolarHBondContact N-O 3.32Å; F45-N60 HydrophobicContact CD1-CB 4.11Å; F45-N60 HydrophobicContact CE1-CB 3.83Å; F45-N60 HydrophobicContact CZ-CB 4.41Å; F45-I88 HydrophobicContact CE2-CG2 4.01Å; F45-I88 HydrophobicContact CZ-CB 4.41Å; F45-I88 HydrophobicContact CZ-CG2 4.09Å; F45-R89 VanDerWaalsContact CZ-C 3.49Å; F45-R90 VanDerWaalsContact CB-NH2 3.33Å; F45-R90 HydrophobicContact CE1-CB 4.14Å; F45-R90 HydrophobicContact CE2-CB 4.15Å; F45-R90 HydrophobicContact CZ-CB 3.89Å; F45-D95 VanDerWaalsContact CE2-OD1 3.26Å; F45-D95 WeakPolarHBondContact CE2-OD1 3.3Å |
| 46 | V | 95.4 | Very high | 95 | Very high | 65 Ų | 65 | 74.4 Ų | 74.4 | 39% | 0.394 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 155.4 | 167.9 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | F44 C59 | F44-V46 PolarHBondContact O-N 2.94Å; V46-C59 HydrophobicContact CG2-CB 3.78Å; V46-C59 WeakPolarHBondContact O-CB 3.44Å; V46-C59 PolarHBondContact O-N 2.69Å |
| 47 | Q | 95.9 | Very high | 94.9 | Very high | 109 Ų | 109 | 74.9 Ų | 74.9 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.7 | 175.3 | -161.2 | 73.2 | -10 | 0 | 0 | 110.8 | R49 A52 S57 | Q47-R49 PolarHBondContact O-N 3.07Å; Q47-A52 PolarHBondContact NE2-O 3.4Å; Q47-S57 VanDerWaalsContact CD-OG 3.29Å; Q47-S57 PolarHBondContact NE2-OG 3.46Å; Q47-S57 PolarHBondContact OE1-OG 2.98Å |
| 48 | C | 96.9 | Very high | 95 | Very high | 6 Ų | 6 | 74.5 Ų | 74.5 | 4% | 0.041 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 125.3 | 172.1 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | V50 H51 A52 S57 C72 | C48-V50 VanDerWaalsContact C-N 3.28Å; C48-V50 PolarHBondContact O-N 2.66Å; C48-V50 PolarHBondContact SG-N 3.2Å; C48-H51 HydrophobicContact CB-CB 4.3Å; C48-H51 PolarHBondContact SG-N 2.77Å; C48-A52 VanDerWaalsContact O-CA 3.27Å; C48-A52 WeakPolarHBondContact O-CA 3.42Å; C48-A52 PolarHBondContact O-N 3.17Å; C48-S57 WeakPolarHBondContact CB-O 3.46Å; C48-S57 PolarHBondContact N-O 3.28Å; C48-C72 HydrophobicContact CB-CB 3.87Å; C48-C72 VanDerWaalsContact SG-SG 3.61Å |
| 49 | R | 94.5 | Very high | 95 | Very high | 249 Ų | 249 | 72.9 Ų | 72.9 | 94% | 0.94 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -67.8 | -24.7 | 178.5 | -59.9 | -176.5 | -177 | -173.6 | 0.4 | 114.1 | Q47 | Q47-R49 PolarHBondContact O-N 3.07Š|
| 50 | V | 95.1 | Very high | 95 | Very high | 117 Ų | 117 | 74.2 Ų | 74.2 | 71% | 0.709 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -90.4 | -30.3 | -178 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | C48 | C48-V50 VanDerWaalsContact C-N 3.28Å; C48-V50 PolarHBondContact O-N 2.66Å; C48-V50 PolarHBondContact SG-N 3.2Å |
| 51 | H | 95.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 74.3 Ų | 74.3 | 25% | 0.25 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -121.6 | 39.7 | -174.9 | -56.4 | 110.9 | 0 | 0 | 0 | 110.9 | C48 D53 A54 S57 L74 C75 | C48-H51 HydrophobicContact CB-CB 4.3Å; C48-H51 PolarHBondContact SG-N 2.77Å; H51-D53 VanDerWaalsContact C-N 3.26Å; H51-D53 PolarHBondContact O-N 2.66Å; H51-A54 HydrophobicContact CB-CB 4.14Å; H51-A54 WeakPolarHBondContact O-CB 3.42Å; H51-A54 PolarHBondContact O-N 2.99Å; H51-A54 VanDerWaalsContact O-N 3.13Å; H51-S57 WeakPolarHBondContact O-CB 3.39Å; H51-L74 HydrophobicContact CB-CD1 3.92Å; H51-C75 VanDerWaalsContact CE1-SG 3.56Å; H51-C75 PolarHBondContact ND1-SG 3.24Å; H51-C75 VanDerWaalsContact ND1-SG 3.39Å |
| 52 | A | 93.4 | Very high | 95.2 | Very high | 42 Ų | 42 | 69.6 Ų | 69.6 | 35% | 0.347 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -36.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q47 C48 | Q47-A52 PolarHBondContact NE2-O 3.4Å; C48-A52 VanDerWaalsContact O-CA 3.27Å; C48-A52 WeakPolarHBondContact O-CA 3.42Å; C48-A52 PolarHBondContact O-N 3.17Å |
| 53 | D | 92 | Very high | 95.2 | Very high | 167 Ų | 167 | 68.8 Ų | 68.8 | 89% | 0.893 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 0.5 | -176 | -47.6 | -64.8 | 0 | 0 | 0 | 113.7 | H51 | H51-D53 VanDerWaalsContact C-N 3.26Å; H51-D53 PolarHBondContact O-N 2.66Å |
| 54 | A | 92.9 | Very high | 95.2 | Very high | 32 Ų | 32 | 65 Ų | 65 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -85.3 | 143.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | H51 K56 S57 L74 | H51-A54 HydrophobicContact CB-CB 4.14Å; H51-A54 WeakPolarHBondContact O-CB 3.42Å; H51-A54 PolarHBondContact O-N 2.99Å; H51-A54 VanDerWaalsContact O-N 3.13Å; A54-K56 PolarHBondContact O-N 2.69Å; A54-S57 WeakPolarHBondContact O-CB 3.48Å; A54-S57 PolarHBondContact O-N 3.41Å; A54-S57 VanDerWaalsContact O-N 3.07Å; A54-S57 PolarHBondContact O-OG 2.74Å; A54-L74 HydrophobicContact CB-CD1 3.52Å |
| 55 | H | 87.3 | Confident | 95.2 | Very high | 189 Ų | 189 | 68.1 Ų | 68.1 | 88% | 0.875 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -13 | 175.5 | -174 | -73.2 | 0 | 0 | 0 | 114.6 | ||
| 56 | K | 90 | Very high | 95.3 | Very high | 133 Ų | 133 | 69.3 Ų | 69.3 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 36.8 | 177.7 | -61.9 | -174.5 | -179.1 | 179.2 | 0 | 111.9 | A54 C72 A73 L74 | A54-K56 PolarHBondContact O-N 2.69Å; K56-C72 WeakPolarHBondContact O-CB 3.4Å; K56-A73 HydrophobicContact CB-CB 4.31Å; K56-A73 HydrophobicContact CD-CB 4.48Å; K56-L74 HydrophobicContact CB-CG 4.4Å |
| 57 | S | 95 | Very high | 95.2 | Very high | 12 Ų | 12 | 69.6 Ų | 69.6 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | trans | -77.6 | -21 | -178.4 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | Q47 C48 H51 A54 C59 C72 | Q47-S57 VanDerWaalsContact CD-OG 3.29Å; Q47-S57 PolarHBondContact NE2-OG 3.46Å; Q47-S57 PolarHBondContact OE1-OG 2.98Å; C48-S57 WeakPolarHBondContact CB-O 3.46Å; C48-S57 PolarHBondContact N-O 3.28Å; H51-S57 WeakPolarHBondContact O-CB 3.39Å; A54-S57 WeakPolarHBondContact O-CB 3.48Å; A54-S57 PolarHBondContact O-N 3.41Å; A54-S57 VanDerWaalsContact O-N 3.07Å; A54-S57 PolarHBondContact O-OG 2.74Å; S57-C59 PolarHBondContact O-N 2.89Å; S57-C72 VanDerWaalsContact O-CB 3.31Å; S57-C72 WeakPolarHBondContact O-CB 3.17Å | ||
| 58 | E | 96.8 | Very high | 95.1 | Very high | 77 Ų | 77 | 67.6 Ų | 67.6 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 126.6 | -178.4 | -172.9 | -174 | 74.5 | 0 | 0 | 111.7 | F45 N60 C72 | F45-E58 HydrophobicContact CB-CG 4.19Å; F45-E58 HydrophobicContact CD1-CG 4.26Å; F45-E58 WeakPolarHBondContact CD1-OE1 3.13Å; E58-N60 PolarHBondContact O-N 3.23Å; E58-N60 PolarHBondContact OE1-ND2 3.01Å; E58-C72 WeakPolarHBondContact O-CA 3.31Å; E58-C72 WeakPolarHBondContact O-CB 3.48Å |
| 59 | C | 97.6 | Very high | 95 | Very high | 8 Ų | 8 | 68.4 Ų | 68.4 | 5% | 0.054 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 81.9 | 178 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | F45 V46 S57 A70 L71 | F45-C59 PolarHBondContact N-O 3.32Å; V46-C59 HydrophobicContact CG2-CB 3.78Å; V46-C59 WeakPolarHBondContact O-CB 3.44Å; V46-C59 PolarHBondContact O-N 2.69Å; S57-C59 PolarHBondContact O-N 2.89Å; C59-A70 HydrophobicContact CB-CB 3.81Å; C59-L71 CarbonylContact C-O 3.44Å; C59-L71 VanDerWaalsContact CA-O 3.3Å; C59-L71 WeakPolarHBondContact CA-O 3.26Å |
| 60 | N | 97.5 | Very high | 95.1 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 15% | 0.15 | 33% | 0.334 | C | S | . | . | trans | -116.7 | 5.1 | 179.2 | 64.1 | 27.7 | 0 | 0 | 0 | 114.4 | F45 E58 L71 I88 | F45-N60 HydrophobicContact CD1-CB 4.11Å; F45-N60 HydrophobicContact CE1-CB 3.83Å; F45-N60 HydrophobicContact CZ-CB 4.41Å; E58-N60 PolarHBondContact O-N 3.23Å; E58-N60 PolarHBondContact OE1-ND2 3.01Å; N60-L71 PolarHBondContact N-O 2.97Å; N60-I88 PolarHBondContact O-N 3.02Å | ||
| 61 | M | 97.7 | Very high | 95.3 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 154.3 | 172.5 | -56.7 | -57.8 | -63.2 | 0 | 0 | 110.6 | L71 L76 I86 Q87 | M61-L71 WeakPolarHBondContact CA-O 3.28Å; M61-L71 HydrophobicContact CB-CB 4.32Å; M61-L71 WeakPolarHBondContact CB-O 3.43Å; M61-L71 PolarHBondContact N-O 3Å; M61-L71 PolarHBondContact O-N 3.39Å; M61-L76 HydrophobicContact CB-CD2 4.26Å; M61-L76 HydrophobicContact CE-CD2 3.64Å; M61-L76 HydrophobicContact CG-CD2 4.1Å; M61-I86 CarbonylContact C-O 3.6Å; M61-Q87 HydrophobicContact CE-CB 3.96Å; M61-Q87 HydrophobicContact SD-CB 3.64Å; M61-Q87 HydrophobicContact SD-CG 3.72Å |
| 62 | Y | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 131.3 | 174.6 | -176 | -97.7 | 0 | 0 | 0 | 110.2 | W35 P38 L39 A42 F44 L64 G69 S85 I86 | W35-Y62 HydrophobicContact CB-CE1 4.41Å; W35-Y62 PolarHBondContact O-OH 2.92Å; W35-Y62 VanDerWaalsContact O-OH 3.04Å; P38-Y62 WeakPolarHBondContact CB-OH 3.45Å; L39-Y62 HydrophobicContact CB-CD1 4.3Å; L39-Y62 HydrophobicContact CB-CE1 3.76Å; L39-Y62 HydrophobicContact CB-CE2 4.41Å; L39-Y62 HydrophobicContact CD1-CD1 3.81Å; L39-Y62 HydrophobicContact CD1-CD2 4.27Å; L39-Y62 HydrophobicContact CD1-CE1 4.15Å; L39-Y62 HydrophobicContact CD1-CG 3.86Å; L39-Y62 HydrophobicContact CG-CD1 4.5Å; L39-Y62 HydrophobicContact CG-CE1 4.42Å; L39-Y62 PolarHBondContact N-OH 3Å; A42-Y62 HydrophobicContact CB-CE2 4.41Å; F44-Y62 HydrophobicContact CE1-CD2 4.09Å; F44-Y62 HydrophobicContact CE1-CG 4.41Å; F44-Y62 AromaticContact CZ-CD2 3.87Å; F44-Y62 HydrophobicContact CZ-CD2 3.87Å; F44-Y62 HydrophobicContact CZ-CG 4.25Å; Y62-L64 HydrophobicContact CD1-CD2 3.84Å; Y62-L64 HydrophobicContact CE1-CD2 3.99Å; Y62-G69 WeakPolarHBondContact CD2-O 3.21Å; Y62-S85 CarbonylContact O-C 3.54Å; Y62-S85 WeakPolarHBondContact O-CA 3.04Å; Y62-S85 VanDerWaalsContact O-CB 3.32Å; Y62-S85 WeakPolarHBondContact O-CB 3.42Å; Y62-I86 HydrophobicContact CD1-CD1 4.4Å; Y62-I86 HydrophobicContact CD1-CG1 4.29Å; Y62-I86 PolarHBondContact N-O 3.34Å; Y62-I86 PolarHBondContact O-N 3.33Å |
| 63 | C | 97.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 118.7 | 178.1 | 177.4 | 0 | 0 | 0 | 0 | 110 | D65 C66 M67 L71 H83 | C63-D65 VanDerWaalsContact C-N 3.34Å; C63-C66 HydrophobicContact CB-CB 4.23Å; C63-C66 PolarHBondContact SG-N 2.81Å; C63-C66 VanDerWaalsContact SG-N 3.44Å; C63-M67 PolarHBondContact O-N 2.84Å; C63-L71 HydrophobicContact CB-CD1 3.83Å; C63-H83 PolarHBondContact SG-ND1 3.18Å |
| 64 | L | 97.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -34.2 | -177.7 | -54.7 | -178.5 | 0 | 0 | 0 | 111.7 | W35 Y62 M67 H84 I86 V105 | W35-L64 HydrophobicContact CB-CB 4.47Å; W35-L64 VanDerWaalsContact CB-O 3.28Å; W35-L64 WeakPolarHBondContact CB-O 3.25Å; W35-L64 HydrophobicContact CD2-CB 4.42Å; W35-L64 HydrophobicContact CD2-CD2 3.72Å; W35-L64 HydrophobicContact CE3-CD2 3.67Å; W35-L64 HydrophobicContact CG-CB 4.08Å; W35-L64 HydrophobicContact CG-CD2 4.14Å; W35-L64 HydrophobicContact CZ3-CD2 4.1Å; Y62-L64 HydrophobicContact CD1-CD2 3.84Å; Y62-L64 HydrophobicContact CE1-CD2 3.99Å; L64-M67 WeakPolarHBondContact O-CG 3.38Å; L64-H84 HydrophobicContact CB-CB 4.2Å; L64-H84 HydrophobicContact CD1-CB 4Å; L64-H84 HydrophobicContact CG-CB 4.34Å; L64-H84 PolarHBondContact N-O 3.02Å; L64-I86 HydrophobicContact CD1-CG2 4.3Å; L64-I86 HydrophobicContact CD2-CD1 3.99Å; L64-I86 HydrophobicContact CD2-CG1 4.1Å; L64-I86 HydrophobicContact CD2-CG2 4.4Å; L64-V105 HydrophobicContact CD1-CB 4.17Å; L64-V105 HydrophobicContact CD1-CG1 3.93Å; L64-V105 HydrophobicContact CD1-CG2 3.89Å |
| 65 | D | 97.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 45.2 Ų | 45.2 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -33.3 | -176.3 | -48.3 | -48.7 | 0 | 0 | 0 | 112.1 | C63 H83 H84 | C63-D65 VanDerWaalsContact C-N 3.34Å; D65-H83 VanDerWaalsContact OD2-CA 3.22Å; D65-H83 WeakPolarHBondContact OD2-CA 3.41Å; D65-H83 VanDerWaalsContact OD2-CB 3.28Å; D65-H83 WeakPolarHBondContact OD2-CB 3.49Å; D65-H83 IonicContact OD2-CG 3.72Å; D65-H84 IonicContact OD1-ND1 3.37Å; D65-H84 PolarHBondContact OD1-ND1 3Å; D65-H84 IonicContact OD2-CG 3.96Å; D65-H84 PolarHBondContact OD2-N 3.46Å; D65-H84 IonicContact OD2-ND1 3.51Å |
| 66 | C | 96.6 | Very high | 96.3 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -26 | -178.7 | -67.3 | 0 | 0 | 0 | 0 | 114.7 | C63 G68 H80 H83 | C63-C66 HydrophobicContact CB-CB 4.23Å; C63-C66 PolarHBondContact SG-N 2.81Å; C63-C66 VanDerWaalsContact SG-N 3.44Å; C66-G68 PolarHBondContact O-N 2.67Å; C66-H80 PolarHBondContact SG-CE1 3.25Å; C66-H80 PolarHBondContact SG-ND1 2.82Å; C66-H80 VanDerWaalsContact SG-ND1 3.41Å; C66-H83 PolarHBondContact SG-CE1 2.78Å; C66-H83 PolarHBondContact SG-ND1 2.83Å |
| 67 | M | 94.6 | Very high | 96.5 | Very high | 71 Ų | 71 | 33.6 Ų | 33.6 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | trans | 56.4 | 13.2 | 178.3 | -53.9 | 177.2 | -79.9 | 0 | 0 | 115.7 | P34 W35 C63 L64 G69 | P34-M67 VanDerWaalsContact C-SD 3.55Å; P34-M67 HydrophobicContact CB-SD 3.97Å; P34-M67 HydrophobicContact CG-SD 4.3Å; W35-M67 WeakPolarHBondContact CA-SD 3.33Å; W35-M67 HydrophobicContact CB-CG 3.64Å; W35-M67 HydrophobicContact CB-SD 3.9Å; W35-M67 PolarHBondContact N-SD 2.88Å; W35-M67 VanDerWaalsContact N-SD 3.43Å; C63-M67 PolarHBondContact O-N 2.84Å; L64-M67 WeakPolarHBondContact O-CG 3.38Å; M67-G69 PolarHBondContact O-N 2.84Å | ||
| 68 | G | 93 | Very high | 96.6 | Very high | 68 Ų | 68 | 36.2 Ų | 36.2 | 70% | 0.701 | 24% | 0.241 | S | C | * | . | trans | -78.2 | 27.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116 | C66 | C66-G68 PolarHBondContact O-N 2.67Š| ||
| 69 | G | 95.2 | Very high | 96.5 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 24% | 0.237 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 77.4 | -160.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y62 M67 | Y62-G69 WeakPolarHBondContact CD2-O 3.21Å; M67-G69 PolarHBondContact O-N 2.84Å |
| 70 | A | 97.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 43 Ų | 43 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S43 F44 C59 | S43-A70 WeakPolarHBondContact O-CB 3.29Å; F44-A70 HydrophobicContact CD1-CB 3.45Å; F44-A70 VanDerWaalsContact CD1-CB 3.45Å; F44-A70 HydrophobicContact CE1-CB 3.58Å; F44-A70 HydrophobicContact CG-CB 4.35Å; C59-A70 HydrophobicContact CB-CB 3.81Å |
| 71 | L | 97.5 | Very high | 96.2 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.8 | -178.1 | -60.4 | 172.3 | 0 | 0 | 0 | 110.2 | C59 N60 M61 C63 C75 L76 | C59-L71 CarbonylContact C-O 3.44Å; C59-L71 VanDerWaalsContact CA-O 3.3Å; C59-L71 WeakPolarHBondContact CA-O 3.26Å; N60-L71 PolarHBondContact N-O 2.97Å; M61-L71 WeakPolarHBondContact CA-O 3.28Å; M61-L71 HydrophobicContact CB-CB 4.32Å; M61-L71 WeakPolarHBondContact CB-O 3.43Å; M61-L71 PolarHBondContact N-O 3Å; M61-L71 PolarHBondContact O-N 3.39Å; C63-L71 HydrophobicContact CB-CD1 3.83Å; L71-C75 HydrophobicContact CB-CB 4.33Å; L71-C75 HydrophobicContact CD2-CB 4.2Å; L71-L76 HydrophobicContact CD1-CD1 4.14Å |
| 72 | C | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -84.1 | 164.8 | 165 | 78 | 0 | 0 | 0 | 0 | 111 | C48 K56 S57 E58 L74 C75 L76 | C48-C72 HydrophobicContact CB-CB 3.87Å; C48-C72 VanDerWaalsContact SG-SG 3.61Å; K56-C72 WeakPolarHBondContact O-CB 3.4Å; S57-C72 VanDerWaalsContact O-CB 3.31Å; S57-C72 WeakPolarHBondContact O-CB 3.17Å; E58-C72 WeakPolarHBondContact O-CA 3.31Å; E58-C72 WeakPolarHBondContact O-CB 3.48Å; C72-L74 PolarHBondContact O-N 3.17Å; C72-L74 VanDerWaalsContact O-N 3.16Å; C72-C75 PolarHBondContact O-N 3.41Å; C72-C75 VanDerWaalsContact O-N 3.16Å; C72-C75 VanDerWaalsContact SG-SG 3.62Å; C72-L76 PolarHBondContact O-N 3.31Å | ||
| 73 | A | 95.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 60.8 Ų | 60.8 | 31% | 0.314 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.1 | -30.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K56 A77 | K56-A73 HydrophobicContact CB-CB 4.31Å; K56-A73 HydrophobicContact CD-CB 4.48Å; A73-A77 WeakPolarHBondContact O-CB 3.3Å; A73-A77 PolarHBondContact O-N 3.36Å |
| 74 | L | 96.5 | Very high | 96 | Very high | 63 Ų | 63 | 66.4 Ų | 66.4 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.2 | -43.2 | 177.2 | -62.1 | 174.1 | 0 | 0 | 0 | 112.1 | H51 A54 K56 C72 L76 A77 A78 | H51-L74 HydrophobicContact CB-CD1 3.92Å; A54-L74 HydrophobicContact CB-CD1 3.52Å; K56-L74 HydrophobicContact CB-CG 4.4Å; C72-L74 PolarHBondContact O-N 3.17Å; C72-L74 VanDerWaalsContact O-N 3.16Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 PolarHBondContact O-N 3.43Å; L74-A77 PolarHBondContact O-N 3.36Å; L74-A78 VanDerWaalsContact O-CB 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.25Å; L74-A78 PolarHBondContact O-N 3.18Å |
| 75 | C | 96.8 | Very high | 96 | Very high | 22 Ų | 22 | 68.1 Ų | 68.1 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 173.4 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | H51 L71 C72 A78 R79 | H51-C75 VanDerWaalsContact CE1-SG 3.56Å; H51-C75 PolarHBondContact ND1-SG 3.24Å; H51-C75 VanDerWaalsContact ND1-SG 3.39Å; L71-C75 HydrophobicContact CB-CB 4.33Å; L71-C75 HydrophobicContact CD2-CB 4.2Å; C72-C75 PolarHBondContact O-N 3.41Å; C72-C75 VanDerWaalsContact O-N 3.16Å; C72-C75 VanDerWaalsContact SG-SG 3.62Å; C75-A78 PolarHBondContact O-N 3.45Å; C75-R79 PolarHBondContact O-N 3.23Å; C75-R79 VanDerWaalsContact O-N 3.07Å |
| 76 | L | 95.9 | Very high | 96 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -52 | 176.3 | -169.3 | 79.3 | 0 | 0 | 0 | 111.2 | M61 L71 C72 L74 A78 R79 H80 | M61-L76 HydrophobicContact CB-CD2 4.26Å; M61-L76 HydrophobicContact CE-CD2 3.64Å; M61-L76 HydrophobicContact CG-CD2 4.1Å; L71-L76 HydrophobicContact CD1-CD1 4.14Å; C72-L76 PolarHBondContact O-N 3.31Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 PolarHBondContact O-N 3.43Å; L76-A78 PolarHBondContact O-N 2.82Å; L76-R79 PolarHBondContact O-N 3.28Å; L76-H80 HydrophobicContact CD1-CB 3.71Å; L76-H80 HydrophobicContact CG-CB 4.32Å; L76-H80 CarbonylContact O-C 3.43Å; L76-H80 WeakPolarHBondContact O-CA 3.45Å; L76-H80 PolarHBondContact O-N 3.37Å |
| 77 | A | 95.4 | Very high | 96 | Very high | 54 Ų | 54 | 65 Ų | 65 | 45% | 0.446 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.7 | -23 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A73 L74 R81 | A73-A77 WeakPolarHBondContact O-CB 3.3Å; A73-A77 PolarHBondContact O-N 3.36Å; L74-A77 PolarHBondContact O-N 3.36Å; A77-R81 VanDerWaalsContact O-CG 3.32Å; A77-R81 WeakPolarHBondContact O-CG 3.24Å; A77-R81 PolarHBondContact O-NE 3.22Å |
| 78 | A | 95.8 | Very high | 96.2 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 55% | 0.554 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -86.3 | -36.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L74 C75 L76 | L74-A78 VanDerWaalsContact O-CB 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.25Å; L74-A78 PolarHBondContact O-N 3.18Å; C75-A78 PolarHBondContact O-N 3.45Å; L76-A78 PolarHBondContact O-N 2.82Å |
| 79 | R | 95.2 | Very high | 96.4 | Very high | 205 Ų | 205 | 61.1 Ų | 61.1 | 77% | 0.774 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -127.9 | -5.2 | -166 | -63 | -178.3 | 67.7 | -173.7 | 0.4 | 115.8 | C75 L76 | C75-R79 PolarHBondContact O-N 3.23Å; C75-R79 VanDerWaalsContact O-N 3.07Å; L76-R79 PolarHBondContact O-N 3.28Å |
| 80 | H | 96.5 | Very high | 96.4 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | trans | -139.7 | 36.3 | -170.8 | -56.9 | -83.2 | 0 | 0 | 0 | 111.9 | C66 L76 D82 H83 | C66-H80 PolarHBondContact SG-CE1 3.25Å; C66-H80 PolarHBondContact SG-ND1 2.82Å; C66-H80 VanDerWaalsContact SG-ND1 3.41Å; L76-H80 HydrophobicContact CD1-CB 3.71Å; L76-H80 HydrophobicContact CG-CB 4.32Å; L76-H80 CarbonylContact O-C 3.43Å; L76-H80 WeakPolarHBondContact O-CA 3.45Å; L76-H80 PolarHBondContact O-N 3.37Å; H80-D82 PolarHBondContact O-N 2.76Å; H80-H83 HydrophobicContact CB-CB 4.16Å; H80-H83 AromaticContact ND1-ND1 3.71Å; H80-H83 PolarHBondContact O-N 3.26Å | ||
| 81 | R | 93.4 | Very high | 96.2 | Very high | 198 Ų | 198 | 66.2 Ų | 66.2 | 75% | 0.747 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -42 | -174.3 | -69.7 | -172.9 | 178 | -179.1 | 1.1 | 113.1 | A77 | A77-R81 VanDerWaalsContact O-CG 3.32Å; A77-R81 WeakPolarHBondContact O-CG 3.24Å; A77-R81 PolarHBondContact O-NE 3.22Å |
| 82 | D | 95.2 | Very high | 95.8 | Very high | 155 Ų | 155 | 69.4 Ų | 69.4 | 83% | 0.829 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 12.7 | -173.9 | -47.9 | -66.6 | 0 | 0 | 0 | 112.5 | H80 | H80-D82 PolarHBondContact O-N 2.76Š|
| 83 | H | 97.2 | Very high | 95.5 | Very high | 74 Ų | 74 | 79.8 Ų | 79.8 | 34% | 0.343 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -101.8 | 146.8 | -175.9 | -70.4 | -151.9 | 0 | 0 | 0 | 111.4 | C63 D65 C66 H80 S85 | C63-H83 PolarHBondContact SG-ND1 3.18Å; D65-H83 VanDerWaalsContact OD2-CA 3.22Å; D65-H83 WeakPolarHBondContact OD2-CA 3.41Å; D65-H83 VanDerWaalsContact OD2-CB 3.28Å; D65-H83 WeakPolarHBondContact OD2-CB 3.49Å; D65-H83 IonicContact OD2-CG 3.72Å; C66-H83 PolarHBondContact SG-CE1 2.78Å; C66-H83 PolarHBondContact SG-ND1 2.83Å; H80-H83 HydrophobicContact CB-CB 4.16Å; H80-H83 AromaticContact ND1-ND1 3.71Å; H80-H83 PolarHBondContact O-N 3.26Å; H83-S85 PolarHBondContact O-N 3.35Å |
| 84 | H | 96.1 | Very high | 95.5 | Very high | 119 Ų | 119 | 80.8 Ų | 80.8 | 55% | 0.551 | 39% | 0.391 | S | S | * | . | trans | -64.9 | 126.1 | 169.6 | -57.4 | 100.4 | 0 | 0 | 0 | 110 | L64 D65 | L64-H84 HydrophobicContact CB-CB 4.2Å; L64-H84 HydrophobicContact CD1-CB 4Å; L64-H84 HydrophobicContact CG-CB 4.34Å; L64-H84 PolarHBondContact N-O 3.02Å; D65-H84 IonicContact OD1-ND1 3.37Å; D65-H84 PolarHBondContact OD1-ND1 3Å; D65-H84 IonicContact OD2-CG 3.96Å; D65-H84 PolarHBondContact OD2-N 3.46Å; D65-H84 IonicContact OD2-ND1 3.51Å | ||
| 85 | S | 96.9 | Very high | 95.6 | Very high | 43 Ų | 43 | 79.7 Ų | 79.7 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 155.6 | 177.8 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | Y62 H83 | Y62-S85 CarbonylContact O-C 3.54Å; Y62-S85 WeakPolarHBondContact O-CA 3.04Å; Y62-S85 VanDerWaalsContact O-CB 3.32Å; Y62-S85 WeakPolarHBondContact O-CB 3.42Å; H83-S85 PolarHBondContact O-N 3.35Å |
| 86 | I | 97.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 145.7 | 177.3 | 59.3 | 172.9 | 0 | 0 | 0 | 110 | L39 M61 Y62 L64 I88 I97 E101 | L39-I86 HydrophobicContact CD1-CD1 4.01Å; L39-I86 HydrophobicContact CD2-CD1 3.74Å; M61-I86 CarbonylContact C-O 3.6Å; Y62-I86 HydrophobicContact CD1-CD1 4.4Å; Y62-I86 HydrophobicContact CD1-CG1 4.29Å; Y62-I86 PolarHBondContact N-O 3.34Å; Y62-I86 PolarHBondContact O-N 3.33Å; L64-I86 HydrophobicContact CD1-CG2 4.3Å; L64-I86 HydrophobicContact CD2-CD1 3.99Å; L64-I86 HydrophobicContact CD2-CG1 4.1Å; L64-I86 HydrophobicContact CD2-CG2 4.4Å; I86-I88 HydrophobicContact CD1-CD1 3.96Å; I86-I88 HydrophobicContact CG1-CD1 4.14Å; I86-I97 HydrophobicContact CD1-CD1 3.75Å; I86-I97 HydrophobicContact CD1-CG1 4.35Å; I86-E101 WeakPolarHBondContact CA-OE1 3.39Å; I86-E101 HydrophobicContact CB-CG 4.26Å; I86-E101 HydrophobicContact CG2-CG 4.02Å |
| 87 | Q | 97.7 | Very high | 95.7 | Very high | 65 Ų | 65 | 77.8 Ų | 77.8 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.6 | 173.3 | -175.2 | 176.9 | 46.7 | 0 | 0 | 110.8 | M61 R89 E101 | M61-Q87 HydrophobicContact CE-CB 3.96Å; M61-Q87 HydrophobicContact SD-CB 3.64Å; M61-Q87 HydrophobicContact SD-CG 3.72Å; Q87-R89 HydrophobicContact CG-CG 4.31Å; Q87-R89 PolarHBondContact O-NH1 3.43Å; Q87-R89 VanDerWaalsContact OE1-NE 3.16Å; Q87-E101 PolarHBondContact N-OE1 3.47Å |
| 88 | I | 98 | Very high | 95.8 | Very high | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | trans | -79.1 | 140.8 | 170.6 | -47.2 | -49.1 | 0 | 0 | 0 | 108.7 | L39 F44 F45 N60 I86 D95 I97 | L39-I88 HydrophobicContact CD1-CD1 3.84Å; F44-I88 HydrophobicContact CB-CG2 4.24Å; F44-I88 HydrophobicContact CD1-CB 3.98Å; F44-I88 HydrophobicContact CD1-CG1 3.56Å; F44-I88 HydrophobicContact CD1-CG2 4.4Å; F44-I88 HydrophobicContact CD2-CB 4.38Å; F44-I88 HydrophobicContact CD2-CG1 4.05Å; F44-I88 HydrophobicContact CD2-CG2 3.95Å; F44-I88 HydrophobicContact CE1-CB 4.39Å; F44-I88 HydrophobicContact CE1-CD1 4.48Å; F44-I88 HydrophobicContact CE1-CG1 3.46Å; F44-I88 VanDerWaalsContact CE1-CG1 3.46Å; F44-I88 HydrophobicContact CE2-CG1 3.94Å; F44-I88 HydrophobicContact CE2-CG2 4.49Å; F44-I88 HydrophobicContact CG-CB 4Å; F44-I88 HydrophobicContact CG-CG1 3.88Å; F44-I88 HydrophobicContact CG-CG2 3.9Å; F44-I88 HydrophobicContact CZ-CD1 4.31Å; F44-I88 HydrophobicContact CZ-CG1 3.67Å; F45-I88 HydrophobicContact CE2-CG2 4.01Å; F45-I88 HydrophobicContact CZ-CB 4.41Å; F45-I88 HydrophobicContact CZ-CG2 4.09Å; N60-I88 PolarHBondContact O-N 3.02Å; I86-I88 HydrophobicContact CD1-CD1 3.96Å; I86-I88 HydrophobicContact CG1-CD1 4.14Å; I88-D95 HydrophobicContact CG2-CB 3.8Å; I88-I97 HydrophobicContact CD1-CD1 3.82Å; I88-I97 HydrophobicContact CD1-CG1 3.56Å | ||
| 89 | R | 97.1 | Very high | 95.9 | Very high | 55 Ų | 55 | 77.4 Ų | 77.4 | 21% | 0.208 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.3 | 179.9 | -61.9 | 176.9 | -172.1 | 85.6 | -6 | 108.8 | F45 Q87 V96 E101 | F45-R89 VanDerWaalsContact CZ-C 3.49Å; Q87-R89 HydrophobicContact CG-CG 4.31Å; Q87-R89 PolarHBondContact O-NH1 3.43Å; Q87-R89 VanDerWaalsContact OE1-NE 3.16Å; R89-V96 HydrophobicContact CB-CG2 4.08Å; R89-V96 PolarHBondContact N-O 3.19Å; R89-V96 VanDerWaalsContact O-CG2 3.29Å; R89-V96 WeakPolarHBondContact O-CG2 3.42Å; R89-V96 PolarHBondContact O-N 3.13Å; R89-E101 IonicContact CZ-OE2 3.36Å; R89-E101 IonicContact NH1-OE2 2.69Å; R89-E101 PolarHBondContact NH1-OE2 3.13Å; R89-E101 IonicContact NH2-OE2 3.08Å; R89-E101 PolarHBondContact NH2-OE2 3.19Å; R89-E101 VanDerWaalsContact NH2-OE2 3.08Å |
| 90 | R | 95.2 | Very high | 96 | Very high | 138 Ų | 138 | 70.9 Ų | 70.9 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.4 | -178.8 | -174.8 | 171.7 | -77.9 | 169.5 | -12.1 | 110.3 | F45 H94 | F45-R90 VanDerWaalsContact CB-NH2 3.33Å; F45-R90 HydrophobicContact CE1-CB 4.14Å; F45-R90 HydrophobicContact CE2-CB 4.15Å; F45-R90 HydrophobicContact CZ-CB 3.89Å; R90-H94 WeakPolarHBondContact CA-O 3.47Å |
| 91 | S | 93.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 71.5 Ų | 71.5 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 120.4 | 172.2 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | Y93 H94 I116 | S91-Y93 VanDerWaalsContact C-N 3.3Å; S91-Y93 PolarHBondContact O-N 2.98Å; S91-H94 PolarHBondContact N-O 2.85Å; S91-H94 PolarHBondContact O-N 3.08Å; S91-I116 VanDerWaalsContact OG-CD1 3.22Å; S91-I116 WeakPolarHBondContact OG-CD1 3.32Å |
| 92 | S | 88.8 | Confident | 96.3 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 65% | 0.65 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 50.6 | -178.1 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | H94 | S92-H94 PolarHBondContact O-CD2 2.96Å; S92-H94 PolarHBondContact O-N 3.03Å |
| 93 | Y | 92.5 | Very high | 96.3 | Very high | 218 Ų | 218 | 59.9 Ų | 59.9 | 86% | 0.855 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 12.4 | -177.6 | -48.8 | -82 | 0 | 0 | 0 | 116.4 | S91 | S91-Y93 VanDerWaalsContact C-N 3.3Å; S91-Y93 PolarHBondContact O-N 2.98Å |
| 94 | H | 95.7 | Very high | 96.3 | Very high | 59 Ų | 59 | 64.4 Ų | 64.4 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151 | 176.2 | -59.7 | -72.9 | 0 | 0 | 0 | 112.5 | R90 S91 S92 F123 R127 | R90-H94 WeakPolarHBondContact CA-O 3.47Å; S91-H94 PolarHBondContact N-O 2.85Å; S91-H94 PolarHBondContact O-N 3.08Å; S92-H94 PolarHBondContact O-CD2 2.96Å; S92-H94 PolarHBondContact O-N 3.03Å; H94-F123 HydrophobicContact CB-CD1 3.84Å; H94-F123 HydrophobicContact CB-CE1 3.9Å; H94-R127 HydrophobicContact CB-CG 4.42Å; H94-R127 WeakPolarHBondContact CD2-CD 3.44Å |
| 95 | D | 97.4 | Very high | 96.3 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 132.8 | -178.3 | -60.9 | -16.8 | 0 | 0 | 0 | 110.6 | F45 I88 L124 | F45-D95 VanDerWaalsContact CE2-OD1 3.26Å; F45-D95 WeakPolarHBondContact CE2-OD1 3.3Å; I88-D95 HydrophobicContact CG2-CB 3.8Å; D95-L124 HydrophobicContact CB-CD1 4.25Å; D95-L124 HydrophobicContact CB-CD2 4.12Å; D95-L124 PolarHBondContact O-N 3.22Å; D95-L124 VanDerWaalsContact O-N 3.08Å |
| 96 | V | 97.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151 | -178.8 | -60 | 0 | 0 | 0 | 0 | 111.4 | R89 V121 V122 F123 | R89-V96 HydrophobicContact CB-CG2 4.08Å; R89-V96 PolarHBondContact N-O 3.19Å; R89-V96 VanDerWaalsContact O-CG2 3.29Å; R89-V96 WeakPolarHBondContact O-CG2 3.42Å; R89-V96 PolarHBondContact O-N 3.13Å; V96-V121 HydrophobicContact CB-CB 4.22Å; V96-V121 HydrophobicContact CB-CG2 4.47Å; V96-V121 HydrophobicContact CG2-CB 4.39Å; V96-V121 HydrophobicContact CG2-CG1 4.45Å; V96-V122 CarbonylContact C-O 3.6Å; V96-V122 VanDerWaalsContact CA-O 3.22Å; V96-V122 WeakPolarHBondContact CA-O 3.15Å; V96-V122 WeakPolarHBondContact CB-O 3.42Å; V96-F123 HydrophobicContact CG1-CB 4.46Å; V96-F123 HydrophobicContact CG1-CD1 3.34Å; V96-F123 HydrophobicContact CG1-CD2 4.15Å; V96-F123 HydrophobicContact CG1-CE1 3.41Å; V96-F123 VanDerWaalsContact CG1-CE1 3.41Å; V96-F123 HydrophobicContact CG1-CE2 4.22Å; V96-F123 HydrophobicContact CG1-CG 3.73Å; V96-F123 HydrophobicContact CG1-CZ 3.88Å |
| 97 | I | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.4 | 169.2 | -60.9 | 147.6 | 0 | 0 | 0 | 108.6 | L39 I86 I88 E101 I102 V121 V122 L124 | L39-I97 HydrophobicContact CD2-CD1 4.21Å; I86-I97 HydrophobicContact CD1-CD1 3.75Å; I86-I97 HydrophobicContact CD1-CG1 4.35Å; I88-I97 HydrophobicContact CD1-CD1 3.82Å; I88-I97 HydrophobicContact CD1-CG1 3.56Å; I97-E101 HydrophobicContact CG2-CB 4.09Å; I97-E101 HydrophobicContact CG2-CG 4.29Å; I97-I102 HydrophobicContact CB-CB 4.41Å; I97-I102 HydrophobicContact CD1-CD1 4.44Å; I97-I102 HydrophobicContact CG2-CB 3.79Å; I97-I102 HydrophobicContact CG2-CG2 4.27Å; I97-V121 VanDerWaalsContact O-CA 3.31Å; I97-V121 WeakPolarHBondContact O-CA 3.43Å; I97-V122 PolarHBondContact N-O 2.72Å; I97-V122 PolarHBondContact O-N 3.31Å; I97-L124 HydrophobicContact CD1-CD1 3.52Å; I97-L124 HydrophobicContact CD1-CG 4.16Å; I97-L124 HydrophobicContact CG1-CD1 3.73Å |
| 98 | R | 97.9 | Very high | 96.1 | Very high | 109 Ų | 109 | 62.6 Ų | 62.6 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 135.9 | 172.8 | -72.8 | -179.7 | 177.4 | -162.9 | -0.6 | 110 | S100 E101 I102 V121 | R98-S100 PolarHBondContact O-N 3.1Å; R98-E101 HydrophobicContact CB-CB 4.28Å; R98-E101 WeakPolarHBondContact O-CB 3.13Å; R98-E101 PolarHBondContact O-N 2.96Å; R98-I102 PolarHBondContact O-N 3.45Å; R98-V121 HydrophobicContact CG-CG1 4.41Å |
| 99 | V | 98.1 | Very high | 96 | Very high | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.8 | -43.7 | 176.9 | 163.1 | 0 | 0 | 0 | 0 | 111.2 | E101 Q103 I108 T113 R120 V122 | V99-E101 PolarHBondContact O-N 3.46Å; V99-Q103 WeakPolarHBondContact O-CB 3.3Å; V99-Q103 WeakPolarHBondContact O-CG 3.28Å; V99-Q103 PolarHBondContact O-N 2.88Å; V99-I108 HydrophobicContact CB-CD1 4.35Å; V99-I108 HydrophobicContact CG1-CD1 3.81Å; V99-I108 HydrophobicContact CG2-CD1 4.03Å; V99-T113 HydrophobicContact CG2-CG2 3.8Å; V99-R120 HydrophobicContact CB-CB 3.86Å; V99-R120 HydrophobicContact CG2-CB 3.79Å; V99-R120 PolarHBondContact N-O 2.81Å; V99-V122 HydrophobicContact CG2-CG2 3.6Å |
| 100 | S | 97.2 | Very high | 96 | Very high | 67 Ų | 67 | 63.9 Ų | 63.9 | 47% | 0.469 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.4 | -14.6 | 177.3 | 58.6 | 0 | 0 | 0 | 0 | 115.6 | R98 K104 | R98-S100 PolarHBondContact O-N 3.1Å; S100-K104 VanDerWaalsContact O-CE 3.27Å; S100-K104 WeakPolarHBondContact O-CE 3.34Å |
| 101 | E | 97 | Very high | 96.1 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -105.2 | -55 | -175 | -171 | 164.5 | -168.7 | 0 | 0 | 110 | I86 Q87 R89 I97 R98 V99 Q103 K104 | I86-E101 WeakPolarHBondContact CA-OE1 3.39Å; I86-E101 HydrophobicContact CB-CG 4.26Å; I86-E101 HydrophobicContact CG2-CG 4.02Å; Q87-E101 PolarHBondContact N-OE1 3.47Å; R89-E101 IonicContact CZ-OE2 3.36Å; R89-E101 IonicContact NH1-OE2 2.69Å; R89-E101 PolarHBondContact NH1-OE2 3.13Å; R89-E101 IonicContact NH2-OE2 3.08Å; R89-E101 PolarHBondContact NH2-OE2 3.19Å; R89-E101 VanDerWaalsContact NH2-OE2 3.08Å; I97-E101 HydrophobicContact CG2-CB 4.09Å; I97-E101 HydrophobicContact CG2-CG 4.29Å; R98-E101 HydrophobicContact CB-CB 4.28Å; R98-E101 WeakPolarHBondContact O-CB 3.13Å; R98-E101 PolarHBondContact O-N 2.96Å; V99-E101 PolarHBondContact O-N 3.46Å; E101-Q103 PolarHBondContact O-N 2.88Å; E101-K104 PolarHBondContact O-N 2.78Å |
| 102 | I | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -33.7 | 179.7 | -169.9 | 61 | 0 | 0 | 0 | 113.4 | W35 I97 R98 K104 V105 L106 I108 V122 L156 | W35-I102 HydrophobicContact CH2-CD1 3.85Å; W35-I102 HydrophobicContact CZ3-CD1 4.19Å; I97-I102 HydrophobicContact CB-CB 4.41Å; I97-I102 HydrophobicContact CD1-CD1 4.44Å; I97-I102 HydrophobicContact CG2-CB 3.79Å; I97-I102 HydrophobicContact CG2-CG2 4.27Å; R98-I102 PolarHBondContact O-N 3.45Å; I102-K104 PolarHBondContact O-N 3.16Å; I102-V105 HydrophobicContact CD1-CG2 4.12Å; I102-V105 WeakPolarHBondContact O-CG2 3.22Å; I102-V105 PolarHBondContact O-N 3.34Å; I102-V105 VanDerWaalsContact O-N 3.12Å; I102-L106 HydrophobicContact CD1-CB 4.08Å; I102-L106 HydrophobicContact CD1-CD2 4.09Å; I102-L106 HydrophobicContact CG1-CB 4.17Å; I102-L106 HydrophobicContact CG1-CD2 4.17Å; I102-L106 PolarHBondContact O-N 2.9Å; I102-L106 VanDerWaalsContact O-N 3.1Å; I102-I108 HydrophobicContact CG1-CG2 4.22Å; I102-I108 HydrophobicContact CG2-CG2 3.98Å; I102-V122 HydrophobicContact CG2-CG2 4.37Å; I102-L156 HydrophobicContact CG1-CD1 4.29Å |
| 103 | Q | 96.8 | Very high | 96.7 | Very high | 108 Ų | 108 | 53.7 Ų | 53.7 | 51% | 0.505 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14.8 | -177.9 | 78.3 | -172.8 | 11 | 0 | 0 | 113.8 | V99 E101 V105 I108 | V99-Q103 WeakPolarHBondContact O-CB 3.3Å; V99-Q103 WeakPolarHBondContact O-CG 3.28Å; V99-Q103 PolarHBondContact O-N 2.88Å; E101-Q103 PolarHBondContact O-N 2.88Å; Q103-V105 VanDerWaalsContact C-N 3.29Å; Q103-I108 HydrophobicContact CB-CD1 4.32Å |
| 104 | K | 96.7 | Very high | 96.8 | Very high | 170 Ų | 170 | 45.8 Ų | 45.8 | 74% | 0.739 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.8 | 177.9 | -63.5 | 177.6 | 174.8 | -179.3 | 0 | 112.8 | S100 E101 I102 | S100-K104 VanDerWaalsContact O-CE 3.27Å; S100-K104 WeakPolarHBondContact O-CE 3.34Å; E101-K104 PolarHBondContact O-N 2.78Å; I102-K104 PolarHBondContact O-N 3.16Å |
| 105 | V | 95.8 | Very high | 96.8 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -6.3 | -169.3 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | W35 L64 I102 Q103 | W35-V105 HydrophobicContact CH2-CG2 3.93Å; W35-V105 HydrophobicContact CZ2-CB 4.09Å; W35-V105 HydrophobicContact CZ2-CG2 3.79Å; L64-V105 HydrophobicContact CD1-CB 4.17Å; L64-V105 HydrophobicContact CD1-CG1 3.93Å; L64-V105 HydrophobicContact CD1-CG2 3.89Å; I102-V105 HydrophobicContact CD1-CG2 4.12Å; I102-V105 WeakPolarHBondContact O-CG2 3.22Å; I102-V105 PolarHBondContact O-N 3.34Å; I102-V105 VanDerWaalsContact O-N 3.12Å; Q103-V105 VanDerWaalsContact C-N 3.29Å |
| 106 | L | 96.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -151.4 | 135.5 | -175.8 | -168.4 | 71.3 | 0 | 0 | 0 | 111.7 | W32 P33 W35 L36 I102 I108 L156 | W32-L106 HydrophobicContact CE3-CD1 3.98Å; W32-L106 HydrophobicContact CZ3-CD1 3.84Å; W32-L106 HydrophobicContact CZ3-CG 4.5Å; P33-L106 HydrophobicContact CG-CD1 3.91Å; W35-L106 HydrophobicContact CH2-CB 4.01Å; W35-L106 HydrophobicContact CH2-CD1 4.24Å; W35-L106 HydrophobicContact CH2-CD2 4.2Å; W35-L106 HydrophobicContact CH2-CG 4.4Å; W35-L106 HydrophobicContact CZ2-CB 4.43Å; W35-L106 HydrophobicContact CZ2-CD1 4.49Å; L36-L106 HydrophobicContact CD1-CD2 3.94Å; L36-L106 HydrophobicContact CD2-CD1 3.95Å; L36-L106 HydrophobicContact CD2-CD2 4.02Å; I102-L106 HydrophobicContact CD1-CB 4.08Å; I102-L106 HydrophobicContact CD1-CD2 4.09Å; I102-L106 HydrophobicContact CG1-CB 4.17Å; I102-L106 HydrophobicContact CG1-CD2 4.17Å; I102-L106 PolarHBondContact O-N 2.9Å; I102-L106 VanDerWaalsContact O-N 3.1Å; L106-I108 PolarHBondContact O-N 2.97Å; L106-L156 HydrophobicContact CD2-CD1 4.46Å; L106-L156 HydrophobicContact CD2-CD2 4.02Å |
| 107 | D | 95.6 | Very high | 96.5 | Very high | 100 Ų | 100 | 57 Ų | 57 | 54% | 0.535 | 30% | 0.3 | S | S | . | . | trans | -68.2 | 119.1 | 166.2 | 169.1 | 46.5 | 0 | 0 | 0 | 111.2 | A109 K159 | D107-A109 WeakPolarHBondContact OD1-CB 3.4Å; D107-A109 PolarHBondContact OD1-N 3.22Å; D107-K159 PolarHBondContact O-NZ 3.07Å; D107-K159 IonicContact OD2-NZ 2.77Å; D107-K159 PolarHBondContact OD2-NZ 3.43Å | ||
| 108 | I | 96.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | trans | -104.2 | 9.6 | 176.3 | 63.4 | 168.7 | 0 | 0 | 0 | 113.5 | V99 I102 Q103 L106 V111 T113 V122 L156 | V99-I108 HydrophobicContact CB-CD1 4.35Å; V99-I108 HydrophobicContact CG1-CD1 3.81Å; V99-I108 HydrophobicContact CG2-CD1 4.03Å; I102-I108 HydrophobicContact CG1-CG2 4.22Å; I102-I108 HydrophobicContact CG2-CG2 3.98Å; Q103-I108 HydrophobicContact CB-CD1 4.32Å; L106-I108 PolarHBondContact O-N 2.97Å; I108-V111 WeakPolarHBondContact O-CB 3.41Å; I108-V111 WeakPolarHBondContact O-CG2 3.44Å; I108-V111 PolarHBondContact O-N 3.02Å; I108-V111 VanDerWaalsContact O-N 3.13Å; I108-T113 HydrophobicContact CD1-CG2 4.45Å; I108-V122 HydrophobicContact CD1-CG2 4.13Å; I108-L156 HydrophobicContact CG2-CD2 4.08Å | ||
| 109 | A | 96 | Very high | 96.2 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 50% | 0.496 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 143.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D107 V111 K159 | D107-A109 WeakPolarHBondContact OD1-CB 3.4Å; D107-A109 PolarHBondContact OD1-N 3.22Å; A109-V111 PolarHBondContact O-N 3.04Å; A109-K159 VanDerWaalsContact O-CE 3.31Å; A109-K159 WeakPolarHBondContact O-CE 3.35Å; A109-K159 PolarHBondContact O-NZ 3.05Å |
| 110 | G | 95.6 | Very high | 96.2 | Very high | 23 Ų | 23 | 64.6 Ų | 64.6 | 24% | 0.237 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -8.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R152 F153 | G110-R152 PolarHBondContact O-N 3.18Å; G110-F153 PolarHBondContact O-N 2.83Å |
| 111 | V | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 129.8 | 175.3 | -165.4 | 0 | 0 | 0 | 0 | 110.7 | I108 A109 T113 V122 F151 F153 L156 K159 | I108-V111 WeakPolarHBondContact O-CB 3.41Å; I108-V111 WeakPolarHBondContact O-CG2 3.44Å; I108-V111 PolarHBondContact O-N 3.02Å; I108-V111 VanDerWaalsContact O-N 3.13Å; A109-V111 PolarHBondContact O-N 3.04Å; V111-T113 PolarHBondContact O-N 3.36Å; V111-V122 HydrophobicContact CB-CG1 4.38Å; V111-V122 HydrophobicContact CG1-CG1 3.57Å; V111-F151 VanDerWaalsContact C-CD1 3.43Å; V111-F151 VanDerWaalsContact O-CD1 3.25Å; V111-F151 WeakPolarHBondContact O-CD1 3.1Å; V111-F151 VanDerWaalsContact O-CE1 3.3Å; V111-F151 WeakPolarHBondContact O-CE1 3.18Å; V111-F153 CarbonylContact C-O 3.6Å; V111-F153 WeakPolarHBondContact CA-O 3.29Å; V111-L156 HydrophobicContact CG2-CD2 4.38Å; V111-K159 HydrophobicContact CG2-CB 3.94Å; V111-K159 HydrophobicContact CG2-CD 3.52Å; V111-K159 HydrophobicContact CG2-CG 4.27Å |
| 112 | Q | 97 | Very high | 96.3 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 119.1 | 176.7 | -169.1 | 179.2 | 21.1 | 0 | 0 | 111.1 | Y114 L147 F151 F153 | Q112-Y114 HydrophobicContact CB-CE2 4.34Å; Q112-Y114 HydrophobicContact CG-CE1 4.31Å; Q112-Y114 HydrophobicContact CG-CE2 4.11Å; Q112-Y114 VanDerWaalsContact OE1-CZ 3.27Å; Q112-Y114 PolarHBondContact OE1-OH 3.18Å; Q112-L147 HydrophobicContact CB-CD2 4.23Å; Q112-L147 VanDerWaalsContact OE1-CD2 3.31Å; Q112-F151 VanDerWaalsContact CA-CD1 3.45Å; Q112-F151 HydrophobicContact CB-CB 4.11Å; Q112-F151 HydrophobicContact CB-CD1 4.23Å; Q112-F151 HydrophobicContact CB-CD2 4.25Å; Q112-F151 HydrophobicContact CB-CG 3.93Å; Q112-F151 HydrophobicContact CG-CD2 4.01Å; Q112-F151 HydrophobicContact CG-CE2 4.29Å; Q112-F151 HydrophobicContact CG-CG 4.21Å; Q112-F153 PolarHBondContact N-O 2.86Å |
| 113 | T | 97 | Very high | 96.3 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 14% | 0.135 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 139.5 | 172.7 | 73.9 | 0 | 0 | 0 | 0 | 110.3 | V99 I108 V111 R120 V121 V122 | V99-T113 HydrophobicContact CG2-CG2 3.8Å; I108-T113 HydrophobicContact CD1-CG2 4.45Å; V111-T113 PolarHBondContact O-N 3.36Å; T113-R120 PolarHBondContact OG1-NE 3.44Å; T113-R120 PolarHBondContact OG1-NH2 3.03Å; T113-V121 WeakPolarHBondContact CA-O 3.41Å; T113-V122 HydrophobicContact CG2-CG2 4.13Å |
| 114 | Y | 95.6 | Very high | 96.3 | Very high | 52 Ų | 52 | 55.6 Ų | 55.6 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 152.4 | 178.4 | -58.9 | -94.9 | 0 | 0 | 0 | 110.4 | Q112 R120 V121 F123 R127 | Q112-Y114 HydrophobicContact CB-CE2 4.34Å; Q112-Y114 HydrophobicContact CG-CE1 4.31Å; Q112-Y114 HydrophobicContact CG-CE2 4.11Å; Q112-Y114 VanDerWaalsContact OE1-CZ 3.27Å; Q112-Y114 PolarHBondContact OE1-OH 3.18Å; Y114-R120 CarbonylContact O-C 3.55Å; Y114-R120 WeakPolarHBondContact O-CA 3.35Å; Y114-V121 PolarHBondContact N-O 2.73Å; Y114-V121 PolarHBondContact O-N 2.86Å; Y114-F123 AromaticContact CD2-CD2 3.58Å; Y114-F123 HydrophobicContact CD2-CD2 3.58Å; Y114-F123 AromaticContact CD2-CE2 3.4Å; Y114-F123 HydrophobicContact CD2-CE2 3.4Å; Y114-F123 AromaticContact CE2-CD2 3.62Å; Y114-F123 HydrophobicContact CE2-CD2 3.62Å; Y114-F123 AromaticContact CE2-CE2 3.68Å; Y114-F123 HydrophobicContact CE2-CE2 3.68Å; Y114-F123 AromaticContact CG-CE2 3.98Å; Y114-F123 HydrophobicContact CG-CE2 3.98Å; Y114-R127 PolarHBondContact OH-NH2 3.46Å; Y114-R127 VanDerWaalsContact OH-NH2 3.11Å |
| 115 | I | 96.3 | Very high | 96.3 | Very high | 134 Ų | 134 | 50.8 Ų | 50.8 | 69% | 0.687 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.2 | 170.5 | -60.4 | 174.2 | 0 | 0 | 0 | 107.8 | A119 R120 | I115-A119 WeakPolarHBondContact CA-O 3.29Å; I115-R120 HydrophobicContact CG1-CG 4.14Å |
| 116 | I | 93.8 | Very high | 96.3 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 125.7 | -179.2 | -54 | -171.1 | 0 | 0 | 0 | 107.7 | S91 S118 A119 V121 F123 | S91-I116 VanDerWaalsContact OG-CD1 3.22Å; S91-I116 WeakPolarHBondContact OG-CD1 3.32Å; I116-S118 VanDerWaalsContact C-N 3.28Å; I116-S118 PolarHBondContact O-N 3.41Å; I116-A119 PolarHBondContact N-O 3.45Å; I116-A119 PolarHBondContact O-N 3.24Å; I116-V121 HydrophobicContact CB-CG2 4.11Å; I116-V121 HydrophobicContact CD1-CG2 3.68Å; I116-V121 HydrophobicContact CG1-CG2 3.77Å; I116-F123 HydrophobicContact CD1-CE2 4.34Å; I116-F123 HydrophobicContact CD1-CZ 4.06Å |
| 117 | N | 93.5 | Very high | 96.1 | Very high | 159 Ų | 159 | 54.6 Ų | 54.6 | 85% | 0.85 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 49.4 | -174.8 | -59.8 | -19.5 | 0 | 0 | 0 | 112.4 | A119 | N117-A119 PolarHBondContact O-N 3.35Š|
| 118 | S | 94.4 | Very high | 95.6 | Very high | 125 Ų | 125 | 55 Ų | 55 | 87% | 0.874 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 10.4 | -177.6 | -52.9 | 0 | 0 | 0 | 0 | 116.2 | I116 | I116-S118 VanDerWaalsContact C-N 3.28Å; I116-S118 PolarHBondContact O-N 3.41Å |
| 119 | A | 96.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I115 I116 N117 | I115-A119 WeakPolarHBondContact CA-O 3.29Å; I116-A119 PolarHBondContact N-O 3.45Å; I116-A119 PolarHBondContact O-N 3.24Å; N117-A119 PolarHBondContact O-N 3.35Å |
| 120 | R | 97.6 | Very high | 93.3 | Very high | 129 Ų | 129 | 60.8 Ų | 60.8 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.5 | 168.8 | -70.7 | -177.7 | 67 | -154.5 | 1 | 110 | V99 T113 Y114 I115 | V99-R120 HydrophobicContact CB-CB 3.86Å; V99-R120 HydrophobicContact CG2-CB 3.79Å; V99-R120 PolarHBondContact N-O 2.81Å; T113-R120 PolarHBondContact OG1-NE 3.44Å; T113-R120 PolarHBondContact OG1-NH2 3.03Å; Y114-R120 CarbonylContact O-C 3.55Å; Y114-R120 WeakPolarHBondContact O-CA 3.35Å; I115-R120 HydrophobicContact CG1-CG 4.14Å |
| 121 | V | 97.9 | Very high | 92 | Very high | 9 Ų | 9 | 69.6 Ų | 69.6 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 155.9 | -179.3 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | V96 I97 R98 T113 Y114 I116 | V96-V121 HydrophobicContact CB-CB 4.22Å; V96-V121 HydrophobicContact CB-CG2 4.47Å; V96-V121 HydrophobicContact CG2-CB 4.39Å; V96-V121 HydrophobicContact CG2-CG1 4.45Å; I97-V121 VanDerWaalsContact O-CA 3.31Å; I97-V121 WeakPolarHBondContact O-CA 3.43Å; R98-V121 HydrophobicContact CG-CG1 4.41Å; T113-V121 WeakPolarHBondContact CA-O 3.41Å; Y114-V121 PolarHBondContact N-O 2.73Å; Y114-V121 PolarHBondContact O-N 2.86Å; I116-V121 HydrophobicContact CB-CG2 4.11Å; I116-V121 HydrophobicContact CD1-CG2 3.68Å; I116-V121 HydrophobicContact CG1-CG2 3.77Å |
| 122 | V | 97.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.1 | 171.9 | -167 | 0 | 0 | 0 | 0 | 108.3 | V96 I97 V99 I102 I108 V111 T113 L156 | V96-V122 CarbonylContact C-O 3.6Å; V96-V122 VanDerWaalsContact CA-O 3.22Å; V96-V122 WeakPolarHBondContact CA-O 3.15Å; V96-V122 WeakPolarHBondContact CB-O 3.42Å; I97-V122 PolarHBondContact N-O 2.72Å; I97-V122 PolarHBondContact O-N 3.31Å; V99-V122 HydrophobicContact CG2-CG2 3.6Å; I102-V122 HydrophobicContact CG2-CG2 4.37Å; I108-V122 HydrophobicContact CD1-CG2 4.13Å; V111-V122 HydrophobicContact CB-CG1 4.38Å; V111-V122 HydrophobicContact CG1-CG1 3.57Å; T113-V122 HydrophobicContact CG2-CG2 4.13Å; V122-L156 HydrophobicContact CG1-CD2 4.03Å; V122-L156 HydrophobicContact CG1-CG 3.95Å |
| 123 | F | 97.8 | Very high | 89 | Confident | 10 Ų | 10 | 76.2 Ų | 76.2 | 4% | 0.044 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 139.1 | 173.6 | -71 | -95.9 | 0 | 0 | 0 | 110.8 | H94 V96 Y114 I116 R127 S155 L156 | H94-F123 HydrophobicContact CB-CD1 3.84Å; H94-F123 HydrophobicContact CB-CE1 3.9Å; V96-F123 HydrophobicContact CG1-CB 4.46Å; V96-F123 HydrophobicContact CG1-CD1 3.34Å; V96-F123 HydrophobicContact CG1-CD2 4.15Å; V96-F123 HydrophobicContact CG1-CE1 3.41Å; V96-F123 VanDerWaalsContact CG1-CE1 3.41Å; V96-F123 HydrophobicContact CG1-CE2 4.22Å; V96-F123 HydrophobicContact CG1-CG 3.73Å; V96-F123 HydrophobicContact CG1-CZ 3.88Å; Y114-F123 AromaticContact CD2-CD2 3.58Å; Y114-F123 HydrophobicContact CD2-CD2 3.58Å; Y114-F123 AromaticContact CD2-CE2 3.4Å; Y114-F123 HydrophobicContact CD2-CE2 3.4Å; Y114-F123 AromaticContact CE2-CD2 3.62Å; Y114-F123 HydrophobicContact CE2-CD2 3.62Å; Y114-F123 AromaticContact CE2-CE2 3.68Å; Y114-F123 HydrophobicContact CE2-CE2 3.68Å; Y114-F123 AromaticContact CG-CE2 3.98Å; Y114-F123 HydrophobicContact CG-CE2 3.98Å; I116-F123 HydrophobicContact CD1-CE2 4.34Å; I116-F123 HydrophobicContact CD1-CZ 4.06Å; F123-R127 HydrophobicContact CD1-CG 4.39Å; F123-S155 VanDerWaalsContact O-CA 3.3Å; F123-S155 WeakPolarHBondContact O-CA 3.22Å; F123-S155 WeakPolarHBondContact O-CB 3.22Å; F123-L156 PolarHBondContact O-N 2.81Å |
| 124 | L | 97.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 85.3 Ų | 85.3 | 1% | 0.01 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -64.1 | -61.7 | 176.7 | -86.7 | 68.4 | 0 | 0 | 0 | 110 | L39 L40 F44 D95 I97 L156 G157 | L39-L124 HydrophobicContact CD1-CD2 4.13Å; L39-L124 HydrophobicContact CG-CD2 4.33Å; L40-L124 HydrophobicContact CD2-CB 3.58Å; L40-L124 HydrophobicContact CD2-CD2 4.31Å; L40-L124 HydrophobicContact CD2-CG 3.85Å; L40-L124 WeakPolarHBondContact CD2-O 3.03Å; F44-L124 HydrophobicContact CE2-CD2 4.14Å; D95-L124 HydrophobicContact CB-CD1 4.25Å; D95-L124 HydrophobicContact CB-CD2 4.12Å; D95-L124 PolarHBondContact O-N 3.22Å; D95-L124 VanDerWaalsContact O-N 3.08Å; I97-L124 HydrophobicContact CD1-CD1 3.52Å; I97-L124 HydrophobicContact CD1-CG 4.16Å; I97-L124 HydrophobicContact CG1-CD1 3.73Å; L124-L156 PolarHBondContact O-N 3.37Å; L124-G157 PolarHBondContact O-N 3.06Å |
| 125 | N | 97.1 | Very high | 86.6 | Confident | 70 Ų | 70 | 86.9 Ų | 86.9 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -110.5 | 168.8 | -174.3 | -69.3 | -42.5 | 0 | 0 | 0 | 112.3 | L40 S155 | L40-N125 PolarHBondContact O-ND2 2.81Å; N125-S155 WeakPolarHBondContact O-CB 3.32Å |
| 126 | E | 94.5 | Very high | 85.7 | Confident | 107 Ų | 107 | 83.3 Ų | 83.3 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | trans | -59.4 | 164.2 | 167.7 | 61.4 | 178.3 | -133.7 | 0 | 0 | 111.8 | C143 S155 | E126-C143 HydrophobicContact CB-CB 4.45Å; E126-C143 VanDerWaalsContact OE2-CB 3.26Å; E126-C143 WeakPolarHBondContact OE2-CB 3.42Å; E126-S155 PolarHBondContact N-OG 3.3Å | ||
| 127 | R | 92.2 | Very high | 85.3 | Confident | 42 Ų | 42 | 87.1 Ų | 87.1 | 16% | 0.158 | 49% | 0.489 | C | S | . | . | trans | -129.3 | 148.6 | 175.7 | -38.2 | 177.5 | -75.1 | -77.8 | 9.4 | 107.5 | H94 Y114 F123 R145 | H94-R127 HydrophobicContact CB-CG 4.42Å; H94-R127 WeakPolarHBondContact CD2-CD 3.44Å; Y114-R127 PolarHBondContact OH-NH2 3.46Å; Y114-R127 VanDerWaalsContact OH-NH2 3.11Å; F123-R127 HydrophobicContact CD1-CG 4.39Å; R127-R145 VanDerWaalsContact N-NH1 3.18Å; R127-R145 PolarHBondContact O-NH1 3.12Å; R127-R145 VanDerWaalsContact O-NH1 3.16Å; R127-R145 PolarHBondContact O-NH2 3.05Å | ||
| 128 | P | 84.7 | Confident | 85.2 | Confident | 110 Ų | 110 | 81.4 Ų | 81.4 | 71% | 0.714 | 46% | 0.458 | S | S | * | . | trans | -51.7 | 143.6 | 173.8 | -26.3 | 34.9 | 0 | 0 | 0 | 112.4 | R145 | P128-R145 PolarHBondContact O-NH2 3.47Š| ||
| 129 | Q | 74.9 | Confident | 85.2 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 33% | 0.327 | 43% | 0.433 | S | S | . | . | trans | -109.6 | 120.5 | 166.6 | -81.3 | -149 | -41.1 | 0 | 0 | 109.5 | R131 R145 | Q129-R131 VanDerWaalsContact C-N 3.25Å; Q129-R131 PolarHBondContact O-N 3.03Å; Q129-R145 HydrophobicContact CG-CB 4.25Å | ||
| 130 | P | 69.8 | Low | 85.1 | Confident | 132 Ų | 132 | 77.2 Ų | 77.2 | 86% | 0.857 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -71.5 | -18.2 | -179.3 | 27.7 | -34.3 | 0 | 0 | 0 | 113.5 | ||
| 131 | R | 67.6 | Low | 84.9 | Confident | 208 Ų | 208 | 74.2 Ų | 74.2 | 79% | 0.785 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -149 | 136.3 | 175.6 | -54.8 | -175.6 | -161.2 | -150 | 4.7 | 109.9 | Q129 G133 | Q129-R131 VanDerWaalsContact C-N 3.25Å; Q129-R131 PolarHBondContact O-N 3.03Å; R131-G133 PolarHBondContact O-N 2.91Å |
| 132 | P | 68.5 | Low | 84.7 | Confident | 115 Ų | 115 | 75.4 Ų | 75.4 | 75% | 0.747 | 42% | 0.424 | S | S | * | . | trans | -59.3 | 127.4 | 162.2 | -21.4 | 33.3 | 0 | 0 | 0 | 109.8 | K134 | P132-K134 PolarHBondContact O-N 2.99Š| ||
| 133 | G | 63.5 | Low | 84.5 | Confident | 36 Ų | 36 | 77 Ų | 77 | 37% | 0.371 | 44% | 0.435 | S | S | . | . | trans | -70.6 | 95.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R131 G135 V136 | R131-G133 PolarHBondContact O-N 2.91Å; G133-G135 PolarHBondContact O-N 3.35Å; G133-V136 PolarHBondContact O-N 3.08Å | ||
| 134 | K | 67.2 | Low | 84.2 | Confident | 213 Ų | 213 | 80.7 Ų | 80.7 | 93% | 0.926 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 126.9 | 168.8 | -88.9 | 178.7 | 173.5 | 176 | 0 | 109.8 | P132 | P132-K134 PolarHBondContact O-N 2.99Š|
| 135 | G | 75.9 | Confident | 83.9 | Confident | 84 Ų | 84 | 81.4 Ų | 81.4 | 87% | 0.866 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | 4.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G133 | G133-G135 PolarHBondContact O-N 3.35Š|
| 136 | V | 77.3 | Confident | 83.7 | Confident | 59 Ų | 59 | 79.7 Ų | 79.7 | 36% | 0.358 | 45% | 0.448 | S | S | . | . | trans | -88.8 | 127.1 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | G133 N138 T139 | G133-V136 PolarHBondContact O-N 3.08Å; V136-N138 WeakPolarHBondContact CG1-O 3.35Å; V136-T139 HydrophobicContact CG1-CG2 4.43Å | ||
| 137 | T | 84.9 | Confident | 83.6 | Confident | 129 Ų | 129 | 75.3 Ų | 75.3 | 79% | 0.791 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -78.2 | -40.6 | 179.2 | 45.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 138 | N | 91.7 | Very high | 83.6 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 21% | 0.209 | 45% | 0.448 | C | S | . | . | trans | -110 | 126.3 | -176.2 | -166.3 | 24.4 | 0 | 0 | 0 | 112.4 | V136 L147 L148 F151 | V136-N138 WeakPolarHBondContact CG1-O 3.35Å; N138-L147 PolarHBondContact O-N 2.76Å; N138-L148 PolarHBondContact ND2-O 3.03Å; N138-F151 PolarHBondContact ND2-O 2.94Å; N138-F151 PolarHBondContact OD1-O 3.11Å | ||
| 139 | T | 93.8 | Very high | 83.8 | Confident | 57 Ų | 57 | 78.4 Ų | 78.4 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | B | Isolated β-bridge | trans | -134.7 | 152.1 | -176.8 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | V136 E141 E144 R145 | V136-T139 HydrophobicContact CG1-CG2 4.43Å; T139-E141 PolarHBondContact O-N 2.99Å; T139-E144 WeakPolarHBondContact CB-O 3.34Å; T139-E144 WeakPolarHBondContact CG2-O 3.42Å; T139-R145 CarbonylContact C-O 3.52Å; T139-R145 WeakPolarHBondContact CA-O 3.31Å |
| 140 | C | 94.9 | Very high | 84.5 | Confident | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.007 | 47% | 0.468 | C | S | . | . | trans | -60.7 | 124.9 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | V142 E144 R145 L147 R152 C154 | C140-V142 PolarHBondContact O-N 3.43Å; C140-E144 VanDerWaalsContact O-CA 3.3Å; C140-E144 WeakPolarHBondContact O-CA 3.3Å; C140-E144 PolarHBondContact O-N 2.88Å; C140-R145 HydrophobicContact CB-CB 3.98Å; C140-R145 WeakPolarHBondContact CB-O 3.22Å; C140-R145 PolarHBondContact N-O 3.49Å; C140-L147 HydrophobicContact CB-CD1 4.3Å; C140-L147 HydrophobicContact CB-CD2 4.23Å; C140-L147 HydrophobicContact CB-CG 4.32Å; C140-R152 WeakPolarHBondContact CA-O 3.27Å; C140-C154 HydrophobicContact CB-CB 4.3Å; C140-C154 PolarHBondContact SG-N 2.92Å; C140-C154 VanDerWaalsContact SG-N 3.37Å | ||
| 141 | E | 93.8 | Very high | 85.7 | Confident | 65 Ų | 65 | 77.2 Ų | 77.2 | 30% | 0.304 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.2 | -174.8 | -71.1 | 174.3 | -164.4 | 0 | 0 | 113.9 | T139 R152 F153 Y167 | T139-E141 PolarHBondContact O-N 2.99Å; E141-R152 VanDerWaalsContact CD-NH2 3.28Å; E141-R152 PolarHBondContact N-O 2.88Å; E141-R152 WeakPolarHBondContact OE1-CG 3.26Å; E141-R152 IonicContact OE1-CZ 2.74Å; E141-R152 IonicContact OE1-NE 3.55Å; E141-R152 PolarHBondContact OE1-NE 2.8Å; E141-R152 IonicContact OE1-NH2 3.83Å; E141-R152 PolarHBondContact OE1-NH2 2.92Å; E141-R152 IonicContact OE2-CZ 2.66Å; E141-R152 IonicContact OE2-NE 2.69Å; E141-R152 PolarHBondContact OE2-NE 3.43Å; E141-R152 IonicContact OE2-NH2 2.66Å; E141-R152 PolarHBondContact OE2-NH2 2.96Å; E141-F153 HydrophobicContact CB-CD1 4.4Å; E141-F153 HydrophobicContact CB-CE1 3.89Å; E141-Y167 PolarHBondContact O-OH 2.85Å |
| 142 | V | 93.5 | Very high | 87.1 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 21% | 0.206 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -53.2 | -179.9 | 177.4 | 0 | 0 | 0 | 0 | 113.3 | C140 F153 C158 V161 Y167 | C140-V142 PolarHBondContact O-N 3.43Å; V142-F153 HydrophobicContact CG2-CD1 4.46Å; V142-F153 HydrophobicContact CG2-CE1 4.44Å; V142-C158 HydrophobicContact CB-CB 4.05Å; V142-C158 HydrophobicContact CG2-CB 4.24Å; V142-C158 WeakPolarHBondContact CG2-O 3.27Å; V142-V161 HydrophobicContact CG1-CB 4.16Å; V142-V161 HydrophobicContact CG1-CG1 3.72Å; V142-V161 HydrophobicContact CG2-CB 4.14Å; V142-V161 HydrophobicContact CG2-CG1 4.02Å; V142-Y167 HydrophobicContact CG2-CE2 4.27Å |
| 143 | C | 92.8 | Very high | 88.5 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 11.2 | -170.9 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | E126 R145 C158 | E126-C143 HydrophobicContact CB-CB 4.45Å; E126-C143 VanDerWaalsContact OE2-CB 3.26Å; E126-C143 WeakPolarHBondContact OE2-CB 3.42Å; C143-R145 PolarHBondContact O-N 3.32Å; C143-C158 VanDerWaalsContact SG-SG 3.66Å |
| 144 | E | 91.6 | Very high | 90 | Very high | 87 Ų | 87 | 66.9 Ų | 66.9 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | trans | 58 | 8.7 | 178.4 | -64 | 166.4 | -156.3 | 0 | 0 | 114.9 | T139 C140 S146 K172 | T139-E144 WeakPolarHBondContact CB-O 3.34Å; T139-E144 WeakPolarHBondContact CG2-O 3.42Å; C140-E144 VanDerWaalsContact O-CA 3.3Å; C140-E144 WeakPolarHBondContact O-CA 3.3Å; C140-E144 PolarHBondContact O-N 2.88Å; E144-S146 PolarHBondContact O-N 2.69Å; E144-K172 VanDerWaalsContact OE1-CD 3.27Å; E144-K172 WeakPolarHBondContact OE1-CD 3.04Å; E144-K172 WeakPolarHBondContact OE1-CE 3.48Å; E144-K172 IonicContact OE1-NZ 2.69Å; E144-K172 PolarHBondContact OE1-NZ 2.97Å; E144-K172 IonicContact OE2-NZ 3.77Å; E144-K172 PolarHBondContact OE2-NZ 3.35Å | ||
| 145 | R | 92 | Very high | 91.5 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | trans | -58.3 | 123.5 | 176.6 | 159.1 | 162.6 | -75.6 | 149.4 | 1.7 | 111.2 | R127 P128 Q129 T139 C140 C143 L147 C154 | R127-R145 VanDerWaalsContact N-NH1 3.18Å; R127-R145 PolarHBondContact O-NH1 3.12Å; R127-R145 VanDerWaalsContact O-NH1 3.16Å; R127-R145 PolarHBondContact O-NH2 3.05Å; P128-R145 PolarHBondContact O-NH2 3.47Å; Q129-R145 HydrophobicContact CG-CB 4.25Å; T139-R145 CarbonylContact C-O 3.52Å; T139-R145 WeakPolarHBondContact CA-O 3.31Å; C140-R145 HydrophobicContact CB-CB 3.98Å; C140-R145 WeakPolarHBondContact CB-O 3.22Å; C140-R145 PolarHBondContact N-O 3.49Å; C143-R145 PolarHBondContact O-N 3.32Å; R145-L147 HydrophobicContact CG-CD2 4.28Å; R145-L147 WeakPolarHBondContact O-CG 3.5Å; R145-L147 PolarHBondContact O-N 3.08Å; R145-C154 HydrophobicContact CB-CB 4.28Å; R145-C154 VanDerWaalsContact CD-CB 3.42Å; R145-C154 HydrophobicContact CG-CB 3.89Å | ||
| 146 | S | 92.2 | Very high | 92.5 | Very high | 33 Ų | 33 | 53 Ų | 53 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -42.3 | 122 | 164.8 | -50 | 0 | 0 | 0 | 0 | 112.4 | E144 | E144-S146 PolarHBondContact O-N 2.69Å |
| 147 | L | 93.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | trans | -111.5 | 166.1 | 177 | -59 | -176.4 | 0 | 0 | 0 | 110.4 | Q112 N138 C140 R145 F151 R152 C154 | Q112-L147 HydrophobicContact CB-CD2 4.23Å; Q112-L147 VanDerWaalsContact OE1-CD2 3.31Å; N138-L147 PolarHBondContact O-N 2.76Å; C140-L147 HydrophobicContact CB-CD1 4.3Å; C140-L147 HydrophobicContact CB-CD2 4.23Å; C140-L147 HydrophobicContact CB-CG 4.32Å; R145-L147 HydrophobicContact CG-CD2 4.28Å; R145-L147 WeakPolarHBondContact O-CG 3.5Å; R145-L147 PolarHBondContact O-N 3.08Å; L147-F151 HydrophobicContact CB-CB 4.39Å; L147-F151 HydrophobicContact CD1-CB 3.98Å; L147-F151 WeakPolarHBondContact CD1-O 3.36Å; L147-R152 VanDerWaalsContact CD1-C 3.46Å; L147-C154 HydrophobicContact CD2-CB 3.7Å | ||
| 148 | L | 92.2 | Very high | 94 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 56% | 0.56 | 24% | 0.239 | S | C | * | . | trans | -69.2 | 159.8 | 155.4 | -73 | 168.2 | 0 | 0 | 0 | 109.3 | N138 F151 | N138-L148 PolarHBondContact ND2-O 3.03Å; L148-F151 HydrophobicContact CB-CD2 3.84Å; L148-F151 HydrophobicContact CB-CE2 4.01Å; L148-F151 HydrophobicContact CD1-CE2 4.48Å | ||
| 149 | D | 88.2 | Confident | 94.2 | Very high | 110 Ų | 110 | 43.5 Ų | 43.5 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 158.8 | 172 | -58.5 | -56.4 | 0 | 0 | 0 | 111.8 | F151 | D149-F151 VanDerWaalsContact O-CD2 3.24Å; D149-F151 WeakPolarHBondContact O-CD2 3.46Å; D149-F151 PolarHBondContact O-N 3.23Å |
| 150 | C | 90.9 | Very high | 94.2 | Very high | 129 Ų | 129 | 41.2 Ų | 41.2 | 87% | 0.872 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | -0.3 | -176.9 | -53.2 | 0 | 0 | 0 | 0 | 117.1 | ||
| 151 | F | 95.2 | Very high | 94.2 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | trans | -105.4 | 152.4 | 173.9 | -60 | -74.6 | 0 | 0 | 0 | 112.6 | V111 Q112 N138 L147 L148 D149 | V111-F151 VanDerWaalsContact C-CD1 3.43Å; V111-F151 VanDerWaalsContact O-CD1 3.25Å; V111-F151 WeakPolarHBondContact O-CD1 3.1Å; V111-F151 VanDerWaalsContact O-CE1 3.3Å; V111-F151 WeakPolarHBondContact O-CE1 3.18Å; Q112-F151 VanDerWaalsContact CA-CD1 3.45Å; Q112-F151 HydrophobicContact CB-CB 4.11Å; Q112-F151 HydrophobicContact CB-CD1 4.23Å; Q112-F151 HydrophobicContact CB-CD2 4.25Å; Q112-F151 HydrophobicContact CB-CG 3.93Å; Q112-F151 HydrophobicContact CG-CD2 4.01Å; Q112-F151 HydrophobicContact CG-CE2 4.29Å; Q112-F151 HydrophobicContact CG-CG 4.21Å; N138-F151 PolarHBondContact ND2-O 2.94Å; N138-F151 PolarHBondContact OD1-O 3.11Å; L147-F151 HydrophobicContact CB-CB 4.39Å; L147-F151 HydrophobicContact CD1-CB 3.98Å; L147-F151 WeakPolarHBondContact CD1-O 3.36Å; L148-F151 HydrophobicContact CB-CD2 3.84Å; L148-F151 HydrophobicContact CB-CE2 4.01Å; L148-F151 HydrophobicContact CD1-CE2 4.48Å; D149-F151 VanDerWaalsContact O-CD2 3.24Å; D149-F151 WeakPolarHBondContact O-CD2 3.46Å; D149-F151 PolarHBondContact O-N 3.23Å | ||
| 152 | R | 95.5 | Very high | 94.1 | Very high | 137 Ų | 137 | 42.2 Ų | 42.2 | 52% | 0.517 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -114.8 | -26.2 | -179.8 | -64.9 | 180 | 62.9 | 152.2 | 2.9 | 113.1 | G110 C140 E141 L147 | G110-R152 PolarHBondContact O-N 3.18Å; C140-R152 WeakPolarHBondContact CA-O 3.27Å; E141-R152 VanDerWaalsContact CD-NH2 3.28Å; E141-R152 PolarHBondContact N-O 2.88Å; E141-R152 WeakPolarHBondContact OE1-CG 3.26Å; E141-R152 IonicContact OE1-CZ 2.74Å; E141-R152 IonicContact OE1-NE 3.55Å; E141-R152 PolarHBondContact OE1-NE 2.8Å; E141-R152 IonicContact OE1-NH2 3.83Å; E141-R152 PolarHBondContact OE1-NH2 2.92Å; E141-R152 IonicContact OE2-CZ 2.66Å; E141-R152 IonicContact OE2-NE 2.69Å; E141-R152 PolarHBondContact OE2-NE 3.43Å; E141-R152 IonicContact OE2-NH2 2.66Å; E141-R152 PolarHBondContact OE2-NH2 2.96Å; L147-R152 VanDerWaalsContact CD1-C 3.46Å |
| 153 | F | 97.4 | Very high | 94 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -133.1 | 144 | -174.9 | -52.1 | -68.2 | 0 | 0 | 0 | 111.9 | G110 V111 Q112 E141 V142 C158 K159 T163 | G110-F153 PolarHBondContact O-N 2.83Å; V111-F153 CarbonylContact C-O 3.6Å; V111-F153 WeakPolarHBondContact CA-O 3.29Å; Q112-F153 PolarHBondContact N-O 2.86Å; E141-F153 HydrophobicContact CB-CD1 4.4Å; E141-F153 HydrophobicContact CB-CE1 3.89Å; V142-F153 HydrophobicContact CG2-CD1 4.46Å; V142-F153 HydrophobicContact CG2-CE1 4.44Å; F153-C158 HydrophobicContact CB-CB 4.05Å; F153-C158 HydrophobicContact CD1-CB 4.2Å; F153-C158 VanDerWaalsContact CD1-O 3.29Å; F153-C158 WeakPolarHBondContact CD1-O 3.36Å; F153-K159 HydrophobicContact CB-CB 4.13Å; F153-K159 HydrophobicContact CD2-CB 3.66Å; F153-K159 HydrophobicContact CD2-CD 4.35Å; F153-K159 HydrophobicContact CD2-CG 3.68Å; F153-K159 HydrophobicContact CE2-CB 4.23Å; F153-K159 HydrophobicContact CE2-CG 3.87Å; F153-K159 HydrophobicContact CG-CB 3.86Å; F153-K159 HydrophobicContact CG-CG 4.39Å; F153-T163 HydrophobicContact CE2-CG2 4.22Å; F153-T163 HydrophobicContact CZ-CG2 4.01Å |
| 154 | C | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -86.9 | -12 | 178.9 | 78.4 | 0 | 0 | 0 | 0 | 115 | C140 R145 L147 C158 | C140-C154 HydrophobicContact CB-CB 4.3Å; C140-C154 PolarHBondContact SG-N 2.92Å; C140-C154 VanDerWaalsContact SG-N 3.37Å; R145-C154 HydrophobicContact CB-CB 4.28Å; R145-C154 VanDerWaalsContact CD-CB 3.42Å; R145-C154 HydrophobicContact CG-CB 3.89Å; L147-C154 HydrophobicContact CD2-CB 3.7Å; C154-C158 VanDerWaalsContact SG-SG 3.66Å |
| 155 | S | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -159.7 | 166.9 | -171.5 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | F123 N125 E126 C158 K159 | F123-S155 VanDerWaalsContact O-CA 3.3Å; F123-S155 WeakPolarHBondContact O-CA 3.22Å; F123-S155 WeakPolarHBondContact O-CB 3.22Å; N125-S155 WeakPolarHBondContact O-CB 3.32Å; E126-S155 PolarHBondContact N-OG 3.3Å; S155-C158 PolarHBondContact O-N 2.84Å; S155-C158 PolarHBondContact OG-N 3.27Å; S155-C158 PolarHBondContact OG-SG 3.27Å; S155-K159 PolarHBondContact O-N 3.31Å |
| 156 | L | 97.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.4 | -64 | 176.5 | 0 | 0 | 0 | 111.6 | L40 I102 L106 I108 V111 V122 F123 L124 C158 K159 I160 | L40-L156 HydrophobicContact CD2-CB 4.22Å; I102-L156 HydrophobicContact CG1-CD1 4.29Å; L106-L156 HydrophobicContact CD2-CD1 4.46Å; L106-L156 HydrophobicContact CD2-CD2 4.02Å; I108-L156 HydrophobicContact CG2-CD2 4.08Å; V111-L156 HydrophobicContact CG2-CD2 4.38Å; V122-L156 HydrophobicContact CG1-CD2 4.03Å; V122-L156 HydrophobicContact CG1-CG 3.95Å; F123-L156 PolarHBondContact O-N 2.81Å; L124-L156 PolarHBondContact O-N 3.37Å; L156-C158 PolarHBondContact O-N 2.94Å; L156-K159 WeakPolarHBondContact O-CB 3.31Å; L156-K159 PolarHBondContact O-N 3.43Å; L156-I160 WeakPolarHBondContact O-CG1 3.35Å; L156-I160 PolarHBondContact O-N 3.4Å |
| 157 | G | 96.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L40 L124 K159 I160 V161 | L40-G157 VanDerWaalsContact CD1-CA 3.43Å; L124-G157 PolarHBondContact O-N 3.06Å; G157-K159 VanDerWaalsContact C-N 3.33Å; G157-K159 PolarHBondContact O-N 3.2Å; G157-I160 PolarHBondContact O-N 2.84Å; G157-V161 WeakPolarHBondContact O-CG2 3.36Å; G157-V161 PolarHBondContact O-N 2.92Å |
| 158 | C | 96.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 172.8 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | V142 C143 F153 C154 S155 L156 G162 | V142-C158 HydrophobicContact CB-CB 4.05Å; V142-C158 HydrophobicContact CG2-CB 4.24Å; V142-C158 WeakPolarHBondContact CG2-O 3.27Å; C143-C158 VanDerWaalsContact SG-SG 3.66Å; F153-C158 HydrophobicContact CB-CB 4.05Å; F153-C158 HydrophobicContact CD1-CB 4.2Å; F153-C158 VanDerWaalsContact CD1-O 3.29Å; F153-C158 WeakPolarHBondContact CD1-O 3.36Å; C154-C158 VanDerWaalsContact SG-SG 3.66Å; S155-C158 PolarHBondContact O-N 2.84Å; S155-C158 PolarHBondContact OG-N 3.27Å; S155-C158 PolarHBondContact OG-SG 3.27Å; L156-C158 PolarHBondContact O-N 2.94Å; C158-G162 PolarHBondContact O-N 2.93Å |
| 159 | K | 96.2 | Very high | 89.3 | Confident | 16 Ų | 16 | 59 Ų | 59 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 175.9 | -174.9 | 173.9 | 179.6 | -178.2 | 0 | 111.6 | W32 D107 A109 V111 F153 S155 L156 G157 T163 | W32-K159 HydrophobicContact CH2-CD 3.83Å; W32-K159 HydrophobicContact CH2-CG 3.81Å; W32-K159 HydrophobicContact CZ2-CG 4.03Å; D107-K159 PolarHBondContact O-NZ 3.07Å; D107-K159 IonicContact OD2-NZ 2.77Å; D107-K159 PolarHBondContact OD2-NZ 3.43Å; A109-K159 VanDerWaalsContact O-CE 3.31Å; A109-K159 WeakPolarHBondContact O-CE 3.35Å; A109-K159 PolarHBondContact O-NZ 3.05Å; V111-K159 HydrophobicContact CG2-CB 3.94Å; V111-K159 HydrophobicContact CG2-CD 3.52Å; V111-K159 HydrophobicContact CG2-CG 4.27Å; F153-K159 HydrophobicContact CB-CB 4.13Å; F153-K159 HydrophobicContact CD2-CB 3.66Å; F153-K159 HydrophobicContact CD2-CD 4.35Å; F153-K159 HydrophobicContact CD2-CG 3.68Å; F153-K159 HydrophobicContact CE2-CB 4.23Å; F153-K159 HydrophobicContact CE2-CG 3.87Å; F153-K159 HydrophobicContact CG-CB 3.86Å; F153-K159 HydrophobicContact CG-CG 4.39Å; S155-K159 PolarHBondContact O-N 3.31Å; L156-K159 WeakPolarHBondContact O-CB 3.31Å; L156-K159 PolarHBondContact O-N 3.43Å; G157-K159 VanDerWaalsContact C-N 3.33Å; G157-K159 PolarHBondContact O-N 3.2Å; K159-T163 HydrophobicContact CG-CG2 4.46Å; K159-T163 WeakPolarHBondContact O-CB 3.44Å; K159-T163 VanDerWaalsContact O-CG2 3.27Å; K159-T163 WeakPolarHBondContact O-CG2 3.3Å; K159-T163 PolarHBondContact O-N 3.31Å; K159-T163 PolarHBondContact O-OG1 2.88Å |
| 160 | I | 94.6 | Very high | 88.2 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.046 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -53.4 | 177.7 | -62 | 169.7 | 0 | 0 | 0 | 110.3 | W32 L36 L40 L156 G157 G162 T163 A164 | W32-I160 HydrophobicContact CD2-CG1 4.09Å; W32-I160 HydrophobicContact CG-CG1 4.44Å; W32-I160 HydrophobicContact CZ2-CG1 4.14Å; L36-I160 HydrophobicContact CD1-CD1 4.26Å; L36-I160 HydrophobicContact CD2-CD1 3.45Å; L36-I160 VanDerWaalsContact CD2-CD1 3.45Å; L36-I160 HydrophobicContact CD2-CG1 3.84Å; L36-I160 HydrophobicContact CG-CD1 3.5Å; L36-I160 VanDerWaalsContact CG-CD1 3.5Å; L36-I160 HydrophobicContact CG-CG1 4.43Å; L40-I160 HydrophobicContact CD1-CD1 3.41Å; L40-I160 VanDerWaalsContact CD1-CD1 3.41Å; L40-I160 HydrophobicContact CG-CD1 4.47Å; L156-I160 WeakPolarHBondContact O-CG1 3.35Å; L156-I160 PolarHBondContact O-N 3.4Å; G157-I160 PolarHBondContact O-N 2.84Å; I160-G162 PolarHBondContact O-N 3.01Å; I160-T163 PolarHBondContact O-N 2.86Å; I160-T163 PolarHBondContact O-OG1 2.81Å; I160-A164 PolarHBondContact O-N 3.05Å |
| 161 | V | 93.4 | Very high | 86.7 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | -179 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | V142 G157 T163 A164 Y167 | V142-V161 HydrophobicContact CG1-CB 4.16Å; V142-V161 HydrophobicContact CG1-CG1 3.72Å; V142-V161 HydrophobicContact CG2-CB 4.14Å; V142-V161 HydrophobicContact CG2-CG1 4.02Å; G157-V161 WeakPolarHBondContact O-CG2 3.36Å; G157-V161 PolarHBondContact O-N 2.92Å; V161-T163 VanDerWaalsContact C-N 3.25Å; V161-T163 PolarHBondContact O-N 3.26Å; V161-A164 PolarHBondContact O-N 3.47Å; V161-Y167 HydrophobicContact CG1-CD2 4.03Å; V161-Y167 HydrophobicContact CG1-CE2 3.97Å; V161-Y167 WeakPolarHBondContact O-CB 2.99Å; V161-Y167 VanDerWaalsContact O-CD2 3.25Å; V161-Y167 WeakPolarHBondContact O-CD2 3.11Å |
| 162 | G | 93.1 | Very high | 84.8 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.8 | -10.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | C158 I160 | C158-G162 PolarHBondContact O-N 2.93Å; I160-G162 PolarHBondContact O-N 3.01Å |
| 163 | T | 91.7 | Very high | 82.3 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -116.9 | -1.5 | 178 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | R31 W32 F153 K159 I160 V161 | R31-T163 PolarHBondContact NH1-O 2.69Å; W32-T163 VanDerWaalsContact CZ2-OG1 3.29Å; W32-T163 WeakPolarHBondContact CZ2-OG1 3.34Å; F153-T163 HydrophobicContact CE2-CG2 4.22Å; F153-T163 HydrophobicContact CZ-CG2 4.01Å; K159-T163 HydrophobicContact CG-CG2 4.46Å; K159-T163 WeakPolarHBondContact O-CB 3.44Å; K159-T163 VanDerWaalsContact O-CG2 3.27Å; K159-T163 WeakPolarHBondContact O-CG2 3.3Å; K159-T163 PolarHBondContact O-N 3.31Å; K159-T163 PolarHBondContact O-OG1 2.88Å; I160-T163 PolarHBondContact O-N 2.86Å; I160-T163 PolarHBondContact O-OG1 2.81Å; V161-T163 VanDerWaalsContact C-N 3.25Å; V161-T163 PolarHBondContact O-N 3.26Å |
| 164 | A | 87.6 | Confident | 80 | Confident | 20 Ų | 20 | 76 Ų | 76 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -57.7 | 148.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I160 V161 G166 Y167 | I160-A164 PolarHBondContact O-N 3.05Å; V161-A164 PolarHBondContact O-N 3.47Å; A164-G166 PolarHBondContact O-N 3.34Å; A164-Y167 PolarHBondContact O-N 2.86Å |
| 165 | R | 74.5 | Confident | 77.3 | Confident | 175 Ų | 175 | 79.6 Ų | 79.6 | 66% | 0.66 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 127.5 | 177.5 | -77.6 | -175.1 | 174.9 | -90.7 | 5.5 | 109.3 | D28 | D28-R165 PolarHBondContact OD1-N 3.37Š|
| 166 | G | 74.7 | Confident | 74.5 | Confident | 70 Ų | 70 | 83 Ų | 83 | 72% | 0.722 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | 2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A164 R168 | A164-G166 PolarHBondContact O-N 3.34Å; G166-R168 PolarHBondContact O-N 3.18Å |
| 167 | Y | 73.7 | Confident | 71.6 | Confident | 67 Ų | 67 | 86.3 Ų | 86.3 | 26% | 0.263 | 49% | 0.493 | S | S | . | . | trans | -57.7 | 108.3 | 169.2 | -173 | -101.8 | 0 | 0 | 0 | 110.3 | E141 V142 V161 A164 P169 | E141-Y167 PolarHBondContact O-OH 2.85Å; V142-Y167 HydrophobicContact CG2-CE2 4.27Å; V161-Y167 HydrophobicContact CG1-CD2 4.03Å; V161-Y167 HydrophobicContact CG1-CE2 3.97Å; V161-Y167 WeakPolarHBondContact O-CB 2.99Å; V161-Y167 VanDerWaalsContact O-CD2 3.25Å; V161-Y167 WeakPolarHBondContact O-CD2 3.11Å; A164-Y167 PolarHBondContact O-N 2.86Å; Y167-P169 HydrophobicContact CD1-CG 4.33Å; Y167-P169 HydrophobicContact CE1-CB 4.22Å; Y167-P169 HydrophobicContact CE1-CG 3.88Å | ||
| 168 | R | 73.2 | Confident | 68.8 | Low | 220 Ų | 220 | 89.6 Ų | 89.6 | 83% | 0.83 | 53% | 0.528 | S | S | * | . | trans | -102.4 | 116 | 168.3 | -69 | -175.3 | 178.3 | -169.7 | 0 | 106.2 | G166 G170 | G166-R168 PolarHBondContact O-N 3.18Å; R168-G170 PolarHBondContact O-N 3.39Å; R168-G170 VanDerWaalsContact O-N 3.13Å | ||
| 169 | P | 70.5 | Confident | 66.3 | Low | 83 Ų | 83 | 92.7 Ų | 92.7 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | trans | -49.7 | 125.8 | 170.6 | -24.7 | 32.3 | 0 | 0 | 0 | 108.5 | Y167 K171 | Y167-P169 HydrophobicContact CD1-CG 4.33Å; Y167-P169 HydrophobicContact CE1-CB 4.22Å; Y167-P169 HydrophobicContact CE1-CG 3.88Å; P169-K171 PolarHBondContact O-N 3.48Å | ||
| 170 | G | 65.8 | Low | 64.1 | Low | 56 Ų | 56 | 98.2 Ų | 98.2 | 58% | 0.577 | 59% | 0.59 | S | S | * | * | trans | -60.6 | 101.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | R168 K172 | R168-G170 PolarHBondContact O-N 3.39Å; R168-G170 VanDerWaalsContact O-N 3.13Å; G170-K172 PolarHBondContact O-N 2.75Å | ||
| 171 | K | 58.1 | Low | 62.2 | Low | 207 Ų | 207 | 106.8 Ų | 106.8 | 90% | 0.9 | 63% | 0.627 | S | S | * | * | trans | -66.8 | 76.2 | 169.9 | -78.5 | -169.5 | 176.7 | -176.8 | 0 | 108.1 | P169 K173 | P169-K171 PolarHBondContact O-N 3.48Å; K171-K173 PolarHBondContact O-N 3.38Å; K171-K173 VanDerWaalsContact O-N 3.09Å | ||
| 172 | K | 56.3 | Low | 60.2 | Low | 141 Ų | 141 | 112.1 Ų | 112.1 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | trans | -50.3 | 120.7 | 156.5 | -72.7 | -177.4 | -177.3 | 165.9 | 0 | 104.9 | E144 G170 H174 | E144-K172 VanDerWaalsContact OE1-CD 3.27Å; E144-K172 WeakPolarHBondContact OE1-CD 3.04Å; E144-K172 WeakPolarHBondContact OE1-CE 3.48Å; E144-K172 IonicContact OE1-NZ 2.69Å; E144-K172 PolarHBondContact OE1-NZ 2.97Å; E144-K172 IonicContact OE2-NZ 3.77Å; E144-K172 PolarHBondContact OE2-NZ 3.35Å; G170-K172 PolarHBondContact O-N 2.75Å; K172-H174 PolarHBondContact O-N 3.16Å | ||
| 173 | K | 43.2 | Very low | 58.3 | Low | 204 Ų | 204 | 122.3 Ų | 122.3 | 89% | 0.887 | 68% | 0.679 | S | S | * | * | trans | -51.4 | 111.2 | 173.6 | -69.7 | 178.9 | 177.3 | 178.4 | 0 | 105.9 | K171 G175 | K171-K173 PolarHBondContact O-N 3.38Å; K171-K173 VanDerWaalsContact O-N 3.09Å; K173-G175 PolarHBondContact O-N 3.16Å; K173-G175 VanDerWaalsContact O-N 3.17Å | ||
| 174 | H | 48.1 | Very low | 56 | Low | 178 Ų | 178 | 124.9 Ų | 124.9 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | -49.4 | 128.8 | 152.2 | -71.6 | -33.1 | 0 | 0 | 0 | 104.9 | K172 G176 | K172-H174 PolarHBondContact O-N 3.16Å; H174-G176 PolarHBondContact O-N 3.03Å | ||
| 175 | G | 39.5 | Very low | 54.4 | Low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | -59 | 92.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | K173 G177 | K173-G175 PolarHBondContact O-N 3.16Å; K173-G175 VanDerWaalsContact O-N 3.17Å; G175-G177 PolarHBondContact O-N 3.21Å | ||
| 176 | G | 38.7 | Very low | 53.1 | Low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | -53.8 | 126.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | H174 G178 | H174-G176 PolarHBondContact O-N 3.03Å; G176-G178 PolarHBondContact O-N 2.82Å | ||
| 177 | G | 37.8 | Very low | 51.8 | Low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -47.9 | 132.9 | -160 | 0 | 0 | 0 | 0 | 0 | 111.9 | G175 G179 | G175-G177 PolarHBondContact O-N 3.21Å; G177-G179 PolarHBondContact O-N 2.76Å | ||
| 178 | G | 38 | Very low | 50.5 | Low | 81 Ų | 81 | 130.4 Ų | 130.4 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -62.6 | 77.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | G176 N180 | G176-G178 PolarHBondContact O-N 2.82Å; G178-N180 PolarHBondContact O-N 3.32Å | ||
| 179 | G | 43.2 | Very low | 49.2 | Very low | 67 Ų | 67 | 123.6 Ų | 123.6 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -70.1 | 71.8 | 176 | 0 | 0 | 0 | 0 | 0 | 108.7 | G177 K181 | G177-G179 PolarHBondContact O-N 2.76Å; G179-K181 VanDerWaalsContact C-N 3.29Å; G179-K181 PolarHBondContact O-N 2.84Å | ||
| 180 | N | 49.7 | Very low | 48.5 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -69.9 | 90.9 | -178.1 | -157.8 | 8.3 | 0 | 0 | 0 | 107.6 | G178 K182 | G178-N180 PolarHBondContact O-N 3.32Å; N180-K182 PolarHBondContact O-N 3.07Å | ||
| 181 | K | 55.2 | Low | 47.7 | Very low | 190 Ų | 190 | 133 Ų | 133 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -66.3 | 72.5 | 175.5 | -76.9 | 176.8 | 175 | 170.5 | 0 | 109.5 | G179 R183 | G179-K181 VanDerWaalsContact C-N 3.29Å; G179-K181 PolarHBondContact O-N 2.84Å; K181-R183 PolarHBondContact O-N 3.02Å | ||
| 182 | K | 51.8 | Low | 47.1 | Very low | 185 Ų | 185 | 130 Ų | 130 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 81.8 | 162 | -74.7 | -166.6 | 173.5 | -171.6 | 0 | 108.2 | N180 A184 | N180-K182 PolarHBondContact O-N 3.07Å; K182-A184 PolarHBondContact O-N 2.93Å | ||
| 183 | R | 53.2 | Low | 47.1 | Very low | 226 Ų | 226 | 129 Ų | 129 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -63.8 | 126.7 | 162.8 | -81.8 | -176.9 | 160.4 | -119.5 | -2.6 | 107.6 | K181 | K181-R183 PolarHBondContact O-N 3.02Š| ||
| 184 | A | 44 | Very low | 47.4 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -66.1 | 141.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | K182 | K182-A184 PolarHBondContact O-N 2.93Š| ||
| 185 | S | 54.4 | Low | 48.1 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -151.5 | 125.2 | 165.8 | -61.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 186 | P | 46.9 | Very low | 48.8 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -79.3 | 152.4 | -175.4 | 31.6 | -33.6 | 0 | 0 | 0 | 111.8 | ||||
| 187 | A | 45.8 | Very low | 49.9 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -71 | 162.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 188 | P | 46.4 | Very low | 51.2 | Low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | -150.1 | 164.1 | 78.2 | 39.7 | -21.4 | 0 | 0 | 0 | 118 | |||||
| 189 | A | 46.2 | Very low | 51.8 | Low | 77 Ų | 77 | 138.1 Ų | 138.1 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | 67.7 | 115.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 190 | L | 55.8 | Low | 52.2 | Low | 158 Ų | 158 | 140.2 Ų | 140.2 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 69.3 | 144.3 | 139.6 | -57.6 | 167.5 | 0 | 0 | 0 | 116.2 | ||||
| 191 | K | 49.7 | Very low | 52.2 | Low | 179 Ų | 179 | 140.1 Ų | 140.1 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | cis | -166.5 | 144.1 | 18.5 | 25.3 | -174.5 | 168.2 | -176.3 | 0 | 109.9 | ||||
| 192 | D | 45.6 | Very low | 51.7 | Low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 17.9 | 135.9 | 156.1 | -49.9 | -77.8 | 0 | 0 | 0 | 122.9 | ||||
| 193 | V | 55.7 | Low | 51.1 | Low | 120 Ų | 120 | 133.2 Ų | 133.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | 162.1 | 119.9 | 108.6 | 158.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 194 | R | 50.2 | Low | 50.8 | Low | 233 Ų | 233 | 129.6 Ų | 129.6 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | 48.7 | 156.8 | 147.2 | -68.8 | 178.4 | 172.7 | 141.9 | -3.1 | 119.4 | ||||
| 195 | S | 62.3 | Low | 50.7 | Low | 80 Ų | 80 | 130.5 Ų | 130.5 | 56% | 0.559 | 78% | 0.775 | S | S | * | * | cis | -173.5 | 161.6 | -6.7 | -93 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 196 | D | 53.9 | Low | 50.3 | Low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | cis | -163.9 | -150.1 | -17.6 | -84.8 | -27 | 0 | 0 | 0 | 106.7 | ||||
| 197 | S | 62.6 | Low | 50.1 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 85 | 98.8 | 172.9 | -64.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 198 | E | 63.9 | Low | 50.5 | Low | 160 Ų | 160 | 129 Ų | 129 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 9.9 | 145.8 | 129.7 | 28.8 | -90.1 | 57.7 | 0 | 0 | 119.6 | |||||
| 199 | D | 52.4 | Low | 50.6 | Low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | cis | -149.5 | 166.8 | 38.5 | -125.6 | -46.1 | 0 | 0 | 0 | 115.3 | ||||
| 200 | S | 50.7 | Low | 51 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -117.3 | 152.1 | -172.6 | -70.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 201 | C | 50.3 | Low | 50.8 | Low | 129 Ų | 129 | 133.6 Ų | 133.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -153.5 | 126.8 | 137.1 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 202 | T | 43.4 | Very low | 51.2 | Low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -62.2 | 134.7 | 176.6 | 41.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 203 | S | 38.9 | Very low | 51.2 | Low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | 80.2 | 125.9 | 87.8 | -50.3 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 204 | T | 47.7 | Very low | 51.1 | Low | 149 Ų | 149 | 129.2 Ų | 129.2 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | -160.5 | 149.1 | 132 | 4.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 205 | S | 41.2 | Very low | 51.1 | Low | 120 Ų | 120 | 124.1 Ų | 124.1 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -86.6 | 151.4 | -171.9 | 49.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 206 | G | 46 | Very low | 50.6 | Low | 83 Ų | 83 | 129 Ų | 129 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -158 | 67.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 207 | A | 42.5 | Very low | 50.5 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -86.7 | 128.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 208 | S | 55.5 | Low | 50.2 | Low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -145.3 | 142.9 | 151.4 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 209 | S | 48.8 | Very low | 49.9 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -127.3 | 96.2 | -170.9 | -67.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 210 | D | 54 | Low | 50.2 | Low | 157 Ų | 157 | 124.3 Ų | 124.3 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -100.8 | 117.7 | 173.2 | -87.1 | -63.5 | 0 | 0 | 0 | 112.3 | ||||
| 211 | K | 50.7 | Low | 50.3 | Low | 196 Ų | 196 | 124.6 Ų | 124.6 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | -117.4 | 105.9 | -170.1 | 44.9 | -175.8 | 167.7 | -172.8 | 0 | 109.2 | ||||
| 212 | S | 58.6 | Low | 50.6 | Low | 111 Ų | 111 | 124.6 Ų | 124.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -132.2 | 82.9 | 174.9 | 45.1 | 0 | 0 | 0 | 0 | 110.6 | V214 | S212-V214 PolarHBondContact O-N 3.13Š| ||
| 213 | S | 46.5 | Very low | 50.9 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -81.5 | 95.4 | 169.8 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 214 | V | 52.5 | Low | 51.2 | Low | 124 Ų | 124 | 126.2 Ų | 126.2 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -87.3 | 107.6 | 168.3 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | S212 Q216 | S212-V214 PolarHBondContact O-N 3.13Å; V214-Q216 HydrophobicContact CG1-CG 4.39Å | ||
| 215 | V | 50.9 | Low | 51.5 | Low | 126 Ų | 126 | 124 Ų | 124 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -82.2 | 125.9 | 168.6 | -72.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 216 | Q | 51 | Low | 51.7 | Low | 183 Ų | 183 | 122.9 Ų | 122.9 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -109.9 | 95.2 | 171.1 | -82.5 | -170.7 | -27.9 | 0 | 0 | 110.1 | V214 | V214-Q216 HydrophobicContact CG1-CG 4.39Š| ||
| 217 | S | 52.5 | Low | 51.7 | Low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 128.4 | 169.3 | -57.3 | 0 | 0 | 0 | 0 | 110 | ||
| 218 | S | 56.1 | Low | 52.2 | Low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 135.5 | 171.3 | -60.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 219 | P | 58 | Low | 52 | Low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 150.9 | 179.4 | 32.7 | -34.2 | 0 | 0 | 0 | 112.7 | ||
| 220 | P | 58 | Low | 51.9 | Low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 164.3 | 176.8 | 34 | -35.9 | 0 | 0 | 0 | 113 | ||
| 221 | P | 52.7 | Low | 51.6 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 145.8 | 179.5 | 34.2 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 222 | P | 57.5 | Low | 51.7 | Low | 130 Ų | 130 | 129.9 Ų | 129.9 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 135 | 174.4 | 33.1 | -32.3 | 0 | 0 | 0 | 112.2 | ||
| 223 | T | 49.8 | Very low | 51.3 | Low | 138 Ų | 138 | 134.6 Ų | 134.6 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 146.4 | 172.2 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 224 | S | 45.7 | Very low | 51.7 | Low | 125 Ų | 125 | 141.2 Ų | 141.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -32 | 128.1 | 178.2 | -45.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 225 | A | 52.7 | Low | 52 | Low | 104 Ų | 104 | 145.2 Ų | 145.2 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -163.5 | 157.6 | 136.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 226 | S | 45 | Very low | 52.3 | Low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 82% | 0.824 | S | S | * | * | trans | -93.7 | -168.8 | -170.3 | -163.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 227 | H | 47.4 | Very low | 52.7 | Low | 180 Ų | 180 | 143.1 Ų | 143.1 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | trans | 86.4 | 112.8 | 168.4 | -35.6 | -62.3 | 0 | 0 | 0 | 117 | ||||
| 228 | R | 51.9 | Low | 53.2 | Low | 234 Ų | 234 | 144.1 Ų | 144.1 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -88.2 | 156 | 172.6 | -96.8 | -176.8 | 173 | -169.6 | 1.5 | 110.9 | ||||
| 229 | P | 51.4 | Low | 53.7 | Low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | -130.6 | 170.7 | 96.1 | 7.6 | 14.8 | 0 | 0 | 0 | 114.1 | |||||
| 230 | P | 46.7 | Very low | 54 | Low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -94.5 | 136.2 | -170.2 | 35.4 | -32.1 | 0 | 0 | 0 | 114 | ||||
| 231 | G | 47.6 | Very low | 54.6 | Low | 70 Ų | 70 | 150.9 Ų | 150.9 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -153.2 | 139.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 232 | N | 53.4 | Low | 55.1 | Low | 168 Ų | 168 | 150.1 Ų | 150.1 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | 61.3 | 72.4 | 168.3 | -65.8 | -0.6 | 0 | 0 | 0 | 118.7 | R234 | N232-R234 PolarHBondContact O-N 3.31Š| ||
| 233 | K | 49.4 | Very low | 55.6 | Low | 211 Ų | 211 | 149.5 Ų | 149.5 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -66.5 | 109.3 | 157.3 | -65.4 | 169.7 | -179.9 | 171.3 | 0 | 110.6 | ||||
| 234 | R | 56 | Low | 56.3 | Low | 253 Ų | 253 | 149.7 Ų | 149.7 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | trans | -93.6 | 103 | 161.6 | -149.9 | 170.1 | -179 | -127.5 | -0.2 | 108.8 | N232 | N232-R234 PolarHBondContact O-N 3.31Š| ||
| 235 | R | 57.9 | Low | 56.8 | Low | 208 Ų | 208 | 147.7 Ų | 147.7 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 125.7 | -165.9 | 174.3 | -176.1 | -82.7 | -158.1 | -2.8 | 112.5 | ||
| 236 | K | 57 | Low | 57 | Low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 132.6 | 155.9 | -135.4 | 175.8 | -174.5 | -179.4 | 0 | 107.6 | ||
| 237 | G | 59.3 | Low | 57.7 | Low | 60 Ų | 60 | 151 Ų | 151 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 162.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 238 | I | 63.5 | Low | 58.2 | Low | 135 Ų | 135 | 148.8 Ų | 148.8 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 129.7 | 174 | -69.8 | 75.4 | 0 | 0 | 0 | 108.2 | H240 | I238-H240 PolarHBondContact O-N 3.33Š|
| 239 | P | 66.8 | Low | 58.5 | Low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 118.3 | 171.7 | 29.3 | -32.3 | 0 | 0 | 0 | 109.6 | ||
| 240 | H | 65.1 | Low | 59 | Low | 171 Ų | 171 | 146.9 Ų | 146.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 135.1 | 171.4 | -163.8 | -84.2 | 0 | 0 | 0 | 109.6 | I238 | I238-H240 PolarHBondContact O-N 3.33Š|
| 241 | R | 70.5 | Confident | 59.2 | Low | 200 Ų | 200 | 152.2 Ų | 152.2 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 138.9 | 175.3 | -158.7 | 177.8 | -169.1 | -136.1 | 4.2 | 108.9 | ||
| 242 | S | 62.5 | Low | 59.8 | Low | 101 Ų | 101 | 156.4 Ų | 156.4 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.8 | 175.8 | -50.4 | 0 | 0 | 0 | 0 | 110.6 | L244 | S242-L244 PolarHBondContact O-N 3.28Š|
| 243 | P | 69.2 | Low | 60.1 | Low | 117 Ų | 117 | 155.7 Ų | 155.7 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 130.9 | 173.3 | -23 | 33.6 | 0 | 0 | 0 | 110.4 | G245 | P243-G245 PolarHBondContact O-N 3.34Š|
| 244 | L | 62.7 | Low | 60.7 | Low | 141 Ų | 141 | 152.7 Ų | 152.7 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -76.7 | 110.1 | 171.9 | -68.2 | 172.6 | 0 | 0 | 0 | 107.9 | S242 S246 | S242-L244 PolarHBondContact O-N 3.28Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 3.25Å | ||
| 245 | G | 56.7 | Low | 61 | Low | 83 Ų | 83 | 146.8 Ų | 146.8 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -68.6 | 87.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P243 L247 | P243-G245 PolarHBondContact O-N 3.34Å; G245-L247 PolarHBondContact O-N 2.91Å | ||
| 246 | S | 57.5 | Low | 61.1 | Low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -78.9 | 98.5 | 169.8 | -168 | 0 | 0 | 0 | 0 | 108.5 | L244 I248 | L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 3.25Å; S246-I248 PolarHBondContact O-N 3.27Å | ||
| 247 | L | 59.8 | Low | 61.4 | Low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -71.5 | 112.8 | 168.8 | -122.4 | 172.2 | 0 | 0 | 0 | 107.9 | G245 | G245-L247 PolarHBondContact O-N 2.91Š| ||
| 248 | I | 56.7 | Low | 61.6 | Low | 134 Ų | 134 | 144.4 Ų | 144.4 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | trans | -76.3 | 122.4 | 172.9 | -60.2 | 169.3 | 0 | 0 | 0 | 106.8 | S246 E250 | S246-I248 PolarHBondContact O-N 3.27Å; I248-E250 HydrophobicContact CG2-CB 4.42Å | ||
| 249 | V | 59.6 | Low | 61.4 | Low | 138 Ų | 138 | 145.1 Ų | 145.1 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -97.8 | 105 | 162 | 177.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 250 | E | 61.8 | Low | 61 | Low | 179 Ų | 179 | 147.2 Ų | 147.2 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -87 | 149.1 | 175.1 | -158.8 | 171 | 151.2 | 0 | 0 | 109.6 | I248 | I248-E250 HydrophobicContact CG2-CB 4.42Š| ||
| 251 | L | 49.8 | Very low | 60.6 | Low | 233 Ų | 233 | 145 Ų | 145 | 100% | 1.22 | 82% | 0.817 | S | S | * | * | trans | -136.3 | 0 | -174.6 | -153.6 | 173.3 | 0 | 0 | 0 | 107.8 |
Retrieved 251 of 251 residues in 76.3 ms
(Link to these results)