| 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 | V | 49 | Very low | 82.1 | Confident | 186 Ų | 186 | 92.8 Ų | 92.8 | 100% | 1.127 | 55% | 0.554 | S | S | * | * | 0 | 132.1 | 0 | -155.9 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 2 | G | 68.6 | Low | 83.2 | Confident | 20 Ų | 20 | 86.3 Ų | 86.3 | 21% | 0.206 | 52% | 0.515 | C | S | . | . | trans | 116.8 | 31.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | K6 | G2-K6 VanDerWaalsContact O-CD 3.3Å; G2-K6 WeakPolarHBondContact O-CD 3.41Å; G2-K6 VanDerWaalsContact O-CE 3.27Å; G2-K6 WeakPolarHBondContact O-CE 3.19Å; G2-K6 VanDerWaalsContact O-CG 3.24Å; G2-K6 WeakPolarHBondContact O-CG 3.45Å | ||
| 3 | V | 80.1 | Confident | 84.1 | Confident | 123 Ų | 123 | 87.5 Ų | 87.5 | 75% | 0.745 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -81.3 | -45.4 | 157.5 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | Q5 K6 | V3-Q5 VanDerWaalsContact C-N 3.3Å; V3-Q5 PolarHBondContact O-N 2.93Å; V3-K6 PolarHBondContact O-N 3.45Å |
| 4 | L | 82.4 | Confident | 84.8 | Confident | 125 Ų | 125 | 82.4 Ų | 82.4 | 65% | 0.654 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -23.4 | -178.8 | -61.5 | 176 | 0 | 0 | 0 | 113.8 | L34 | L4-L34 HydrophobicContact CB-CD2 3.68Š|
| 5 | Q | 82.6 | Confident | 85.5 | Confident | 86 Ų | 86 | 84.7 Ų | 84.7 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -14.7 | 176.9 | -69.7 | 167.8 | -31.5 | 0 | 0 | 113.4 | V3 G7 S33 L34 | V3-Q5 VanDerWaalsContact C-N 3.3Å; V3-Q5 PolarHBondContact O-N 2.93Å; Q5-G7 VanDerWaalsContact C-N 3.32Å; Q5-S33 PolarHBondContact NE2-OG 2.89Å; Q5-L34 HydrophobicContact CG-CD2 4.15Å |
| 6 | K | 83.9 | Confident | 85.9 | Confident | 182 Ų | 182 | 84.4 Ų | 84.4 | 79% | 0.791 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -75.4 | -22.6 | -176.4 | -79.4 | 173 | -178.2 | -173.4 | 0 | 113.4 | G2 V3 | G2-K6 VanDerWaalsContact O-CD 3.3Å; G2-K6 WeakPolarHBondContact O-CD 3.41Å; G2-K6 VanDerWaalsContact O-CE 3.27Å; G2-K6 WeakPolarHBondContact O-CE 3.19Å; G2-K6 VanDerWaalsContact O-CG 3.24Å; G2-K6 WeakPolarHBondContact O-CG 3.45Å; V3-K6 PolarHBondContact O-N 3.45Å |
| 7 | G | 85.6 | Confident | 86.1 | Confident | 38 Ų | 38 | 79.6 Ų | 79.6 | 39% | 0.392 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -119.6 | 163.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q5 | Q5-G7 VanDerWaalsContact C-N 3.32Š|
| 8 | S | 91.4 | Very high | 86.3 | Confident | 102 Ų | 102 | 78.4 Ų | 78.4 | 71% | 0.713 | 45% | 0.45 | S | S | * | . | trans | -74.7 | 130.4 | 167.6 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | V | 92.1 | Very high | 86.5 | Confident | 37 Ų | 37 | 83.3 Ų | 83.3 | 22% | 0.224 | 46% | 0.46 | C | S | . | . | B | Isolated β-bridge | trans | -99.4 | 121.2 | 173.1 | 176.8 | 0 | 0 | 0 | 0 | 108 | L11 V12 N35 T36 | V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 WeakPolarHBondContact CG1-O 3.3Å; V9-L11 PolarHBondContact O-N 3.27Å; V9-V12 HydrophobicContact CG1-CG2 3.72Å; V9-N35 PolarHBondContact N-O 3.13Å; V9-T36 WeakPolarHBondContact O-CA 3.37Å; V9-T36 WeakPolarHBondContact O-CB 3.24Å; V9-T36 PolarHBondContact O-OG1 2.79Å; V9-T36 VanDerWaalsContact O-OG1 3.13Å |
| 10 | G | 93.4 | Very high | 86.8 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 40% | 0.402 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -73.6 | -24.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R38 | G10-R38 VanDerWaalsContact O-CZ 3.32Å; G10-R38 PolarHBondContact O-NE 3.26Å; G10-R38 PolarHBondContact O-NH2 2.77Å |
| 11 | L | 94.1 | Very high | 86.9 | Confident | 83 Ų | 83 | 79.8 Ų | 79.8 | 44% | 0.435 | 44% | 0.436 | S | S | . | . | trans | -161.3 | 134.3 | -177 | 176.6 | 61.6 | 0 | 0 | 0 | 109.8 | V9 I13 R38 V40 | V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 WeakPolarHBondContact CG1-O 3.3Å; V9-L11 PolarHBondContact O-N 3.27Å; L11-I13 HydrophobicContact CD1-CG1 4.33Å; L11-I13 HydrophobicContact CD2-CD1 3.93Å; L11-I13 HydrophobicContact CD2-CG1 3.98Å; L11-I13 HydrophobicContact CG-CD1 4.41Å; L11-I13 HydrophobicContact CG-CG1 3.92Å; L11-R38 WeakPolarHBondContact CA-O 3.27Å; L11-R38 HydrophobicContact CD1-CB 3.69Å; L11-V40 HydrophobicContact CD1-CG2 4Å | ||
| 12 | V | 94.8 | Very high | 88.8 | Confident | 15 Ų | 15 | 74.7 Ų | 74.7 | 9% | 0.091 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.4 | 167.3 | 173.7 | 0 | 0 | 0 | 0 | 108.3 | V9 L34 T36 R38 R39 V40 | V9-V12 HydrophobicContact CG1-CG2 3.72Å; V12-L34 HydrophobicContact CG2-CD1 4.15Å; V12-T36 HydrophobicContact CB-CG2 4.49Å; V12-T36 HydrophobicContact CG2-CG2 3.9Å; V12-R38 PolarHBondContact N-O 3.23Å; V12-R39 HydrophobicContact CB-CG 4.41Å; V12-R39 CarbonylContact O-C 3.53Å; V12-R39 WeakPolarHBondContact O-CA 3.27Å; V12-V40 PolarHBondContact O-N 3.05Å |
| 13 | I | 95.6 | Very high | 89.6 | Confident | 101 Ų | 101 | 76.1 Ų | 76.1 | 52% | 0.518 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.3 | 172.9 | -52.3 | 178.9 | 0 | 0 | 0 | 107 | L11 V40 I42 | L11-I13 HydrophobicContact CD1-CG1 4.33Å; L11-I13 HydrophobicContact CD2-CD1 3.93Å; L11-I13 HydrophobicContact CD2-CG1 3.98Å; L11-I13 HydrophobicContact CG-CD1 4.41Å; L11-I13 HydrophobicContact CG-CG1 3.92Å; I13-V40 WeakPolarHBondContact CA-O 3.2Å; I13-V40 HydrophobicContact CG1-CB 4.39Å; I13-V40 HydrophobicContact CG2-CB 4.47Å; I13-I42 HydrophobicContact CG2-CD1 3.74Å; I13-I42 HydrophobicContact CG2-CG1 4.32Å |
| 14 | C | 93.9 | Very high | 90.1 | Very high | 16 Ų | 16 | 77.5 Ų | 77.5 | 11% | 0.108 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 114.3 | 173.4 | -53.4 | 0 | 0 | 0 | 0 | 108.9 | L20 V40 L41 I42 | C14-L20 HydrophobicContact CB-CD1 4.13Å; C14-V40 PolarHBondContact N-O 3.38Å; C14-L41 HydrophobicContact CB-CD2 3.62Å; C14-I42 PolarHBondContact O-N 2.97Å |
| 15 | D | 94.8 | Very high | 90.4 | Very high | 117 Ų | 117 | 74.4 Ų | 74.4 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -76.5 | 153.3 | 164.6 | -166.1 | 19.3 | 0 | 0 | 0 | 109.9 | G17 I42 | D15-G17 VanDerWaalsContact C-N 3.32Å; D15-G17 PolarHBondContact O-N 2.94Å; D15-I42 CarbonylContact C-O 3.56Å |
| 16 | E | 91.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 78.2 Ų | 78.2 | 38% | 0.379 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 52.2 | 47 | -171.6 | -58 | -63.5 | 179.3 | 0 | 0 | 113.6 | H18 R19 I42 | E16-H18 PolarHBondContact O-N 2.79Å; E16-H18 IonicContact OE2-CE1 3.77Å; E16-H18 PolarHBondContact OE2-CE1 2.87Å; E16-H18 IonicContact OE2-ND1 3.71Å; E16-H18 PolarHBondContact OE2-ND1 3.37Å; E16-R19 HydrophobicContact CB-CG 4.47Å; E16-R19 WeakPolarHBondContact O-CB 3.36Å; E16-R19 WeakPolarHBondContact O-CG 3.31Å; E16-R19 PolarHBondContact O-N 2.9Å; E16-I42 WeakPolarHBondContact CA-O 3.31Å; E16-I42 PolarHBondContact N-O 2.93Å |
| 17 | G | 90.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 72.5 Ų | 72.5 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -54.5 | -21.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D15 R19 L20 I42 L57 | D15-G17 VanDerWaalsContact C-N 3.32Å; D15-G17 PolarHBondContact O-N 2.94Å; G17-R19 PolarHBondContact O-N 2.98Å; G17-L20 WeakPolarHBondContact O-CB 3.47Å; G17-L20 PolarHBondContact O-N 3.49Å; G17-I42 PolarHBondContact N-O 3.07Å; G17-L57 WeakPolarHBondContact O-CD2 3.4Å |
| 18 | H | 89.9 | Confident | 91.5 | Very high | 59 Ų | 59 | 71.2 Ų | 71.2 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -55.8 | -21.5 | 171.7 | 70.8 | -93.6 | 0 | 0 | 0 | 113.3 | E16 L20 K21 S43 T45 | E16-H18 PolarHBondContact O-N 2.79Å; E16-H18 IonicContact OE2-CE1 3.77Å; E16-H18 PolarHBondContact OE2-CE1 2.87Å; E16-H18 IonicContact OE2-ND1 3.71Å; E16-H18 PolarHBondContact OE2-ND1 3.37Å; H18-L20 PolarHBondContact O-N 2.89Å; H18-K21 WeakPolarHBondContact O-CB 3.3Å; H18-K21 VanDerWaalsContact O-CD 3.31Å; H18-K21 WeakPolarHBondContact O-CD 2.92Å; H18-K21 WeakPolarHBondContact O-CG 3.46Å; H18-K21 PolarHBondContact O-N 2.95Å; H18-S43 PolarHBondContact ND1-OG 3.47Å; H18-T45 WeakPolarHBondContact CB-OG1 3.35Å; H18-T45 VanDerWaalsContact CG-OG1 3.23Å; H18-T45 PolarHBondContact ND1-OG1 2.96Å; H18-T45 VanDerWaalsContact ND1-OG1 3.11Å |
| 19 | R | 89.6 | Confident | 91.6 | Very high | 170 Ų | 170 | 71.7 Ų | 71.7 | 64% | 0.642 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -65 | -19.3 | 173.6 | -66.2 | -175.9 | 69.8 | -176.8 | 1.4 | 113.8 | E16 G17 | E16-R19 HydrophobicContact CB-CG 4.47Å; E16-R19 WeakPolarHBondContact O-CB 3.36Å; E16-R19 WeakPolarHBondContact O-CG 3.31Å; E16-R19 PolarHBondContact O-N 2.9Å; G17-R19 PolarHBondContact O-N 2.98Å |
| 20 | L | 91.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 72.4 Ų | 72.4 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -96.2 | 12.6 | -179.3 | -58.6 | 179.6 | 0 | 0 | 0 | 113.1 | C14 G17 H18 N22 T27 Y28 L31 L41 L57 F60 | C14-L20 HydrophobicContact CB-CD1 4.13Å; G17-L20 WeakPolarHBondContact O-CB 3.47Å; G17-L20 PolarHBondContact O-N 3.49Å; H18-L20 PolarHBondContact O-N 2.89Å; L20-N22 PolarHBondContact O-N 2.84Å; L20-T27 HydrophobicContact CD2-CG2 4.04Å; L20-Y28 HydrophobicContact CB-CD2 4.22Å; L20-Y28 WeakPolarHBondContact O-CD2 3.45Å; L20-L31 HydrophobicContact CD1-CD1 4.1Å; L20-L31 HydrophobicContact CD2-CD1 4.07Å; L20-L41 HydrophobicContact CD1-CD2 3.71Å; L20-L57 VanDerWaalsContact C-CD2 3.48Å; L20-L57 HydrophobicContact CB-CD2 3.87Å; L20-F60 HydrophobicContact CD1-CD1 4.05Å; L20-F60 HydrophobicContact CD1-CD2 4.49Å; L20-F60 HydrophobicContact CD1-CE1 3.68Å; L20-F60 HydrophobicContact CD1-CE2 4.16Å; L20-F60 HydrophobicContact CD1-CG 4.44Å; L20-F60 HydrophobicContact CD1-CZ 3.74Å |
| 21 | K | 89.8 | Confident | 91.5 | Very high | 88 Ų | 88 | 72.6 Ų | 72.6 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -65.3 | -17.9 | 179.6 | 70.9 | -172.7 | -164.1 | 147 | 0 | 114.7 | H18 E53 S56 L57 | H18-K21 WeakPolarHBondContact O-CB 3.3Å; H18-K21 VanDerWaalsContact O-CD 3.31Å; H18-K21 WeakPolarHBondContact O-CD 2.92Å; H18-K21 WeakPolarHBondContact O-CG 3.46Å; H18-K21 PolarHBondContact O-N 2.95Å; K21-E53 HydrophobicContact CB-CB 3.92Å; K21-E53 HydrophobicContact CB-CG 3.89Å; K21-E53 HydrophobicContact CD-CG 4.19Å; K21-E53 WeakPolarHBondContact CD-OE1 3.21Å; K21-E53 WeakPolarHBondContact CE-OE1 3.46Å; K21-E53 HydrophobicContact CG-CG 4.15Å; K21-E53 IonicContact NZ-OE1 2.68Å; K21-E53 PolarHBondContact NZ-OE1 3.36Å; K21-E53 IonicContact NZ-OE2 3.65Å; K21-S56 WeakPolarHBondContact O-CB 3.22Å; K21-S56 PolarHBondContact O-OG 3.21Å; K21-L57 HydrophobicContact CB-CD1 4.41Å; K21-L57 HydrophobicContact CB-CG 4.48Å |
| 22 | N | 88.6 | Confident | 91.4 | Very high | 78 Ų | 78 | 71.3 Ų | 71.3 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | trans | -113.2 | 115.3 | 175.7 | -177.3 | -11.1 | 0 | 0 | 0 | 109.6 | L20 E24 N25 | L20-N22 PolarHBondContact O-N 2.84Å; N22-E24 VanDerWaalsContact C-N 3.26Å; N22-E24 PolarHBondContact O-N 2.71Å; N22-E24 WeakPolarHBondContact OD1-CB 3.18Å; N22-E24 PolarHBondContact OD1-N 2.81Å; N22-N25 WeakPolarHBondContact O-CB 3.37Å; N22-N25 PolarHBondContact O-N 3.49Å | ||
| 23 | S | 86.7 | Confident | 91.2 | Very high | 50 Ų | 50 | 73.2 Ų | 73.2 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -18.2 | -179.8 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | N25 Y28 | S23-N25 VanDerWaalsContact C-N 3.25Å; S23-N25 PolarHBondContact O-N 3.18Å; S23-Y28 WeakPolarHBondContact O-CD1 3.48Å |
| 24 | E | 89.4 | Confident | 91.1 | Very high | 152 Ų | 152 | 69.4 Ų | 69.4 | 71% | 0.71 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11.5 | 174.4 | -56.6 | -176.6 | 163.5 | 0 | 0 | 112.5 | N22 Q26 | N22-E24 VanDerWaalsContact C-N 3.26Å; N22-E24 PolarHBondContact O-N 2.71Å; N22-E24 WeakPolarHBondContact OD1-CB 3.18Å; N22-E24 PolarHBondContact OD1-N 2.81Å; E24-Q26 PolarHBondContact O-N 2.84Å |
| 25 | N | 89.3 | Confident | 91 | Very high | 60 Ų | 60 | 73.5 Ų | 73.5 | 32% | 0.321 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -65.5 | 132.3 | 178.8 | -171.2 | -20 | 0 | 0 | 0 | 110.3 | N22 S23 T27 Y28 Q29 | N22-N25 WeakPolarHBondContact O-CB 3.37Å; N22-N25 PolarHBondContact O-N 3.49Å; S23-N25 VanDerWaalsContact C-N 3.25Å; S23-N25 PolarHBondContact O-N 3.18Å; N25-T27 PolarHBondContact O-N 3.13Å; N25-T27 VanDerWaalsContact O-N 3.07Å; N25-T27 PolarHBondContact OD1-N 3.19Å; N25-T27 VanDerWaalsContact OD1-N 3.08Å; N25-T27 PolarHBondContact OD1-OG1 3.47Å; N25-Y28 WeakPolarHBondContact O-CA 3.38Å; N25-Y28 VanDerWaalsContact O-CB 3.28Å; N25-Y28 WeakPolarHBondContact O-CB 3.45Å; N25-Y28 PolarHBondContact O-N 3.34Å; N25-Q29 PolarHBondContact O-N 2.96Å; N25-Q29 VanDerWaalsContact O-N 3.07Å |
| 26 | Q | 90.7 | Very high | 90.9 | Very high | 166 Ų | 166 | 69 Ų | 69 | 78% | 0.776 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -53.7 | -33.3 | 176.7 | -65.1 | 179 | 21.5 | 0 | 0 | 112.6 | E24 A30 | E24-Q26 PolarHBondContact O-N 2.84Å; Q26-A30 WeakPolarHBondContact O-CB 3.41Å; Q26-A30 PolarHBondContact O-N 3.43Å |
| 27 | T | 91.3 | Very high | 90.8 | Very high | 63 Ų | 63 | 70.1 Ų | 70.1 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.9 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | L20 N25 L31 | L20-T27 HydrophobicContact CD2-CG2 4.04Å; N25-T27 PolarHBondContact O-N 3.13Å; N25-T27 VanDerWaalsContact O-N 3.07Å; N25-T27 PolarHBondContact OD1-N 3.19Å; N25-T27 VanDerWaalsContact OD1-N 3.08Å; N25-T27 PolarHBondContact OD1-OG1 3.47Å; T27-L31 HydrophobicContact CG2-CD1 3.98Å; T27-L31 WeakPolarHBondContact O-CB 3.3Å; T27-L31 VanDerWaalsContact O-CG 3.31Å; T27-L31 WeakPolarHBondContact O-CG 3.25Å; T27-L31 PolarHBondContact O-N 2.89Å |
| 28 | Y | 93 | Very high | 91 | Very high | 10 Ų | 10 | 77.3 Ų | 77.3 | 4% | 0.039 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.3 | -55.7 | 175.2 | -179.1 | -75.2 | 0 | 0 | 0 | 109.7 | L20 S23 N25 A30 L31 D32 F60 | L20-Y28 HydrophobicContact CB-CD2 4.22Å; L20-Y28 WeakPolarHBondContact O-CD2 3.45Å; S23-Y28 WeakPolarHBondContact O-CD1 3.48Å; N25-Y28 WeakPolarHBondContact O-CA 3.38Å; N25-Y28 VanDerWaalsContact O-CB 3.28Å; N25-Y28 WeakPolarHBondContact O-CB 3.45Å; N25-Y28 PolarHBondContact O-N 3.34Å; Y28-A30 VanDerWaalsContact C-N 3.29Å; Y28-A30 PolarHBondContact O-N 3.36Å; Y28-L31 PolarHBondContact O-N 3.31Å; Y28-D32 HydrophobicContact CD1-CB 4.11Å; Y28-D32 HydrophobicContact CE1-CB 3.93Å; Y28-D32 WeakPolarHBondContact O-CB 3.2Å; Y28-D32 PolarHBondContact O-N 3.11Å; Y28-F60 HydrophobicContact CD2-CB 4.48Å; Y28-F60 AromaticContact CD2-CD2 3.9Å; Y28-F60 HydrophobicContact CD2-CD2 3.9Å; Y28-F60 HydrophobicContact CD2-CG 4.48Å; Y28-F60 HydrophobicContact CE1-CD2 4.35Å; Y28-F60 HydrophobicContact CE2-CB 3.63Å; Y28-F60 AromaticContact CE2-CD2 3.67Å; Y28-F60 HydrophobicContact CE2-CD2 3.67Å; Y28-F60 HydrophobicContact CE2-CG 4.03Å; Y28-F60 HydrophobicContact CG-CD2 4.36Å; Y28-F60 AromaticContact CZ-CD2 3.86Å |
| 29 | Q | 92.6 | Very high | 91.3 | Very high | 113 Ų | 113 | 76.1 Ų | 76.1 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | -176.6 | -64.1 | -176.1 | -5.3 | 0 | 0 | 112.2 | N25 S33 | N25-Q29 PolarHBondContact O-N 2.96Å; N25-Q29 VanDerWaalsContact O-N 3.07Å; Q29-S33 VanDerWaalsContact O-CB 3.3Å; Q29-S33 WeakPolarHBondContact O-CB 3.45Å; Q29-S33 PolarHBondContact O-N 2.69Å; Q29-S33 PolarHBondContact O-OG 3.22Å |
| 30 | A | 91.4 | Very high | 91.6 | Very high | 51 Ų | 51 | 71.1 Ų | 71.1 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q26 Y28 S33 | Q26-A30 WeakPolarHBondContact O-CB 3.41Å; Q26-A30 PolarHBondContact O-N 3.43Å; Y28-A30 VanDerWaalsContact C-N 3.29Å; Y28-A30 PolarHBondContact O-N 3.36Å; A30-S33 PolarHBondContact O-OG 2.93Å |
| 31 | L | 92.2 | Very high | 91.6 | Very high | 44 Ų | 44 | 73 Ų | 73 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.1 | -35.2 | 178.2 | -67.3 | 172 | 0 | 0 | 0 | 112.1 | L20 T27 Y28 S33 L34 F60 | L20-L31 HydrophobicContact CD1-CD1 4.1Å; L20-L31 HydrophobicContact CD2-CD1 4.07Å; T27-L31 HydrophobicContact CG2-CD1 3.98Å; T27-L31 WeakPolarHBondContact O-CB 3.3Å; T27-L31 VanDerWaalsContact O-CG 3.31Å; T27-L31 WeakPolarHBondContact O-CG 3.25Å; T27-L31 PolarHBondContact O-N 2.89Å; Y28-L31 PolarHBondContact O-N 3.31Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.04Å; L31-L34 HydrophobicContact CD2-CD1 4.01Å; L31-L34 VanDerWaalsContact O-CB 3.3Å; L31-L34 WeakPolarHBondContact O-CB 3.36Å; L31-L34 WeakPolarHBondContact O-CG 3.2Å; L31-L34 PolarHBondContact O-N 3.31Å; L31-F60 HydrophobicContact CB-CE2 3.76Å; L31-F60 HydrophobicContact CB-CZ 3.71Å; L31-F60 HydrophobicContact CD1-CZ 4.29Å |
| 32 | D | 91.9 | Very high | 91.9 | Very high | 55 Ų | 55 | 72.9 Ų | 72.9 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.6 | -33.7 | 178.6 | -170.5 | 48.8 | 0 | 0 | 0 | 112 | Y28 L34 R39 F60 | Y28-D32 HydrophobicContact CD1-CB 4.11Å; Y28-D32 HydrophobicContact CE1-CB 3.93Å; Y28-D32 WeakPolarHBondContact O-CB 3.2Å; Y28-D32 PolarHBondContact O-N 3.11Å; D32-L34 PolarHBondContact O-N 2.8Å; D32-R39 PolarHBondContact O-NH2 3.29Å; D32-R39 IonicContact OD1-CZ 3.44Å; D32-R39 IonicContact OD1-NH1 2.69Å; D32-R39 PolarHBondContact OD1-NH1 3.18Å; D32-R39 IonicContact OD1-NH2 3.31Å; D32-R39 PolarHBondContact OD1-NH2 2.92Å; D32-F60 HydrophobicContact CB-CD2 4.38Å; D32-F60 HydrophobicContact CB-CE2 4.26Å |
| 33 | S | 91.9 | Very high | 91.9 | Very high | 56 Ų | 56 | 71.1 Ų | 71.1 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7.6 | 174.1 | 75.5 | 0 | 0 | 0 | 0 | 114.8 | Q5 Q29 A30 L31 | Q5-S33 PolarHBondContact NE2-OG 2.89Å; Q29-S33 VanDerWaalsContact O-CB 3.3Å; Q29-S33 WeakPolarHBondContact O-CB 3.45Å; Q29-S33 PolarHBondContact O-N 2.69Å; Q29-S33 PolarHBondContact O-OG 3.22Å; A30-S33 PolarHBondContact O-OG 2.93Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.04Å |
| 34 | L | 92.2 | Very high | 92 | Very high | 20 Ų | 20 | 72.1 Ų | 72.1 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -73.1 | 132.6 | 177.1 | -63.7 | 175.8 | 0 | 0 | 0 | 110 | L4 Q5 V12 L31 D32 T36 | L4-L34 HydrophobicContact CB-CD2 3.68Å; Q5-L34 HydrophobicContact CG-CD2 4.15Å; V12-L34 HydrophobicContact CG2-CD1 4.15Å; L31-L34 HydrophobicContact CD2-CD1 4.01Å; L31-L34 VanDerWaalsContact O-CB 3.3Å; L31-L34 WeakPolarHBondContact O-CB 3.36Å; L31-L34 WeakPolarHBondContact O-CG 3.2Å; L31-L34 PolarHBondContact O-N 3.31Å; D32-L34 PolarHBondContact O-N 2.8Å; L34-T36 VanDerWaalsContact C-N 3.27Å; L34-T36 PolarHBondContact O-N 3.11Å |
| 35 | N | 92 | Very high | 91.7 | Very high | 103 Ų | 103 | 68 Ų | 68 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | trans | -70.3 | 84.5 | 171.3 | -177.8 | 13.7 | 0 | 0 | 0 | 109.8 | V9 | V9-N35 PolarHBondContact N-O 3.13Š| ||
| 36 | T | 92.5 | Very high | 90.9 | Very high | 21 Ų | 21 | 69.5 Ų | 69.5 | 13% | 0.129 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -127.8 | 136.4 | -179.5 | -173.7 | 0 | 0 | 0 | 0 | 112.8 | V9 V12 L34 R38 R39 | V9-T36 WeakPolarHBondContact O-CA 3.37Å; V9-T36 WeakPolarHBondContact O-CB 3.24Å; V9-T36 PolarHBondContact O-OG1 2.79Å; V9-T36 VanDerWaalsContact O-OG1 3.13Å; V12-T36 HydrophobicContact CB-CG2 4.49Å; V12-T36 HydrophobicContact CG2-CG2 3.9Å; L34-T36 VanDerWaalsContact C-N 3.27Å; L34-T36 PolarHBondContact O-N 3.11Å; T36-R38 PolarHBondContact OG1-N 3.01Å; T36-R38 PolarHBondContact OG1-O 2.95Å; T36-R39 HydrophobicContact CG2-CG 3.61Å |
| 37 | S | 91.3 | Very high | 89.9 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 73% | 0.734 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -86.8 | -20.1 | 178.5 | -47.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 38 | R | 94.1 | Very high | 88.7 | Confident | 154 Ų | 154 | 68.8 Ų | 68.8 | 58% | 0.581 | 39% | 0.393 | S | S | * | . | trans | -138.4 | 134.7 | -175.1 | -68.8 | 173.5 | -70.7 | -117.3 | -3.8 | 110.3 | G10 L11 V12 T36 | G10-R38 VanDerWaalsContact O-CZ 3.32Å; G10-R38 PolarHBondContact O-NE 3.26Å; G10-R38 PolarHBondContact O-NH2 2.77Å; L11-R38 WeakPolarHBondContact CA-O 3.27Å; L11-R38 HydrophobicContact CD1-CB 3.69Å; V12-R38 PolarHBondContact N-O 3.23Å; T36-R38 PolarHBondContact OG1-N 3.01Å; T36-R38 PolarHBondContact OG1-O 2.95Å | ||
| 39 | R | 95.3 | Very high | 87.7 | Confident | 33 Ų | 33 | 76 Ų | 76 | 13% | 0.125 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.6 | 179.2 | -65.7 | 177.1 | 179.6 | -170.2 | 4.7 | 109.2 | V12 D32 T36 F60 | V12-R39 HydrophobicContact CB-CG 4.41Å; V12-R39 CarbonylContact O-C 3.53Å; V12-R39 WeakPolarHBondContact O-CA 3.27Å; D32-R39 PolarHBondContact O-NH2 3.29Å; D32-R39 IonicContact OD1-CZ 3.44Å; D32-R39 IonicContact OD1-NH1 2.69Å; D32-R39 PolarHBondContact OD1-NH1 3.18Å; D32-R39 IonicContact OD1-NH2 3.31Å; D32-R39 PolarHBondContact OD1-NH2 2.92Å; T36-R39 HydrophobicContact CG2-CG 3.61Å; R39-F60 WeakPolarHBondContact CD-O 3.4Å; R39-F60 PolarHBondContact NH1-O 3.07Å |
| 40 | V | 95.2 | Very high | 87.5 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.2 | 177.2 | 177.5 | 0 | 0 | 0 | 0 | 108 | L11 V12 I13 C14 I42 | L11-V40 HydrophobicContact CD1-CG2 4Å; V12-V40 PolarHBondContact O-N 3.05Å; I13-V40 WeakPolarHBondContact CA-O 3.2Å; I13-V40 HydrophobicContact CG1-CB 4.39Å; I13-V40 HydrophobicContact CG2-CB 4.47Å; C14-V40 PolarHBondContact N-O 3.38Å; V40-I42 HydrophobicContact CG1-CG1 4.12Å |
| 41 | L | 93.3 | Very high | 87.3 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.3 | 171.5 | -63.7 | -177.3 | 0 | 0 | 0 | 109.1 | C14 L20 L57 F60 V61 | C14-L41 HydrophobicContact CB-CD2 3.62Å; L20-L41 HydrophobicContact CD1-CD2 3.71Å; L41-L57 HydrophobicContact CD1-CB 4.14Å; L41-L57 HydrophobicContact CD1-CD2 3.8Å; L41-F60 HydrophobicContact CD1-CD1 4.02Å; L41-F60 HydrophobicContact CD2-CD1 3.77Å; L41-F60 HydrophobicContact CD2-CE1 3.71Å; L41-F60 HydrophobicContact CG-CD1 4.12Å; L41-F60 HydrophobicContact CG-CE1 4.47Å; L41-V61 HydrophobicContact CB-CG2 4.28Å; L41-V61 HydrophobicContact CD1-CG2 3.56Å; L41-V61 HydrophobicContact CG-CG2 3.53Å |
| 42 | I | 94.4 | Very high | 87.1 | Confident | 86 Ų | 86 | 82.3 Ų | 82.3 | 44% | 0.441 | 46% | 0.461 | S | S | . | . | trans | -116.7 | 127.9 | 173.8 | -55.2 | 174.9 | 0 | 0 | 0 | 106.3 | I13 C14 D15 E16 G17 V40 | I13-I42 HydrophobicContact CG2-CD1 3.74Å; I13-I42 HydrophobicContact CG2-CG1 4.32Å; C14-I42 PolarHBondContact O-N 2.97Å; D15-I42 CarbonylContact C-O 3.56Å; E16-I42 WeakPolarHBondContact CA-O 3.31Å; E16-I42 PolarHBondContact N-O 2.93Å; G17-I42 PolarHBondContact N-O 3.07Å; V40-I42 HydrophobicContact CG1-CG1 4.12Å | ||
| 43 | S | 90.1 | Very high | 87 | Confident | 40 Ų | 40 | 81.9 Ų | 81.9 | 28% | 0.28 | 46% | 0.458 | S | S | . | . | trans | -142.8 | 133.7 | 176 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | H18 T45 | H18-S43 PolarHBondContact ND1-OG 3.47Å; S43-T45 VanDerWaalsContact C-N 3.33Å; S43-T45 PolarHBondContact OG-N 3.07Å; S43-T45 PolarHBondContact OG-O 3.42Å; S43-T45 PolarHBondContact OG-OG1 3.08Å; S43-T45 VanDerWaalsContact OG-OG1 3.11Å | ||
| 44 | G | 87.9 | Confident | 86.9 | Confident | 72 Ų | 72 | 85.3 Ų | 85.3 | 74% | 0.742 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -82.3 | -12.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 45 | T | 82.3 | Confident | 86.8 | Confident | 64 Ų | 64 | 88.1 Ų | 88.1 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -101 | 137.6 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | H18 S43 I47 | H18-T45 WeakPolarHBondContact CB-OG1 3.35Å; H18-T45 VanDerWaalsContact CG-OG1 3.23Å; H18-T45 PolarHBondContact ND1-OG1 2.96Å; H18-T45 VanDerWaalsContact ND1-OG1 3.11Å; S43-T45 VanDerWaalsContact C-N 3.33Å; S43-T45 PolarHBondContact OG-N 3.07Å; S43-T45 PolarHBondContact OG-O 3.42Å; S43-T45 PolarHBondContact OG-OG1 3.08Å; S43-T45 VanDerWaalsContact OG-OG1 3.11Å; T45-I47 PolarHBondContact O-N 3.44Å |
| 46 | P | 73.1 | Confident | 86.7 | Confident | 92 Ų | 92 | 83.8 Ų | 83.8 | 60% | 0.597 | 45% | 0.452 | S | S | * | . | trans | -70.4 | 130.5 | 179.5 | 28.5 | -33.5 | 0 | 0 | 0 | 111.1 | Q48 | P46-Q48 VanDerWaalsContact CB-CD 3.46Å; P46-Q48 HydrophobicContact CB-CG 3.83Å; P46-Q48 PolarHBondContact O-N 3.28Å | ||
| 47 | I | 70.3 | Confident | 86.7 | Confident | 66 Ų | 66 | 83.2 Ų | 83.2 | 34% | 0.338 | 45% | 0.448 | S | S | . | . | trans | -89.9 | 97.3 | 173.1 | -58.8 | 148.6 | 0 | 0 | 0 | 106.2 | T45 Y54 L57 | T45-I47 PolarHBondContact O-N 3.44Å; I47-Y54 HydrophobicContact CG2-CD2 4.18Å; I47-L57 HydrophobicContact CB-CD1 4.38Å; I47-L57 HydrophobicContact CD1-CD1 3.32Å; I47-L57 HydrophobicContact CG1-CD1 3.65Å; I47-L57 HydrophobicContact CG2-CD1 3.83Å | ||
| 48 | Q | 65.4 | Low | 86.7 | Confident | 148 Ų | 148 | 79.7 Ų | 79.7 | 69% | 0.692 | 42% | 0.422 | S | S | * | . | trans | -127.8 | -27.7 | -163.4 | -85.1 | 177.6 | -17.6 | 0 | 0 | 116.8 | P46 | P46-Q48 VanDerWaalsContact CB-CD 3.46Å; P46-Q48 HydrophobicContact CB-CG 3.83Å; P46-Q48 PolarHBondContact O-N 3.28Å | ||
| 49 | N | 73.1 | Confident | 86.6 | Confident | 161 Ų | 161 | 74.6 Ų | 74.6 | 86% | 0.861 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -112.6 | -7.9 | -161.8 | -67.1 | -32.2 | 0 | 0 | 0 | 115.9 | ||
| 50 | D | 86.9 | Confident | 86.5 | Confident | 67 Ų | 67 | 73 Ų | 73 | 36% | 0.358 | 40% | 0.399 | S | S | . | . | trans | -136.1 | 117.7 | -178.6 | -170.4 | -20.3 | 0 | 0 | 0 | 110.6 | L52 E53 Y54 | D50-L52 VanDerWaalsContact C-N 3.25Å; D50-L52 PolarHBondContact O-N 3.44Å; D50-L52 WeakPolarHBondContact OD1-CA 3.31Å; D50-L52 VanDerWaalsContact OD1-CB 3.27Å; D50-L52 WeakPolarHBondContact OD1-CB 3.35Å; D50-L52 PolarHBondContact OD1-N 3.04Å; D50-E53 HydrophobicContact CB-CB 3.96Å; D50-E53 HydrophobicContact CB-CG 3.66Å; D50-E53 WeakPolarHBondContact O-CB 3.37Å; D50-E53 PolarHBondContact O-N 3.43Å; D50-Y54 PolarHBondContact O-N 3.26Å; D50-Y54 VanDerWaalsContact O-N 3.07Å | ||
| 51 | L | 88.2 | Confident | 86.4 | Confident | 150 Ų | 150 | 72.8 Ų | 72.8 | 79% | 0.785 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.4 | -27.3 | 178.9 | -68.7 | 174.6 | 0 | 0 | 0 | 112.1 | Y54 F55 | L51-Y54 PolarHBondContact O-N 2.77Å; L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.21Å; L51-F55 PolarHBondContact O-N 3.08Å |
| 52 | L | 88.5 | Confident | 86.3 | Confident | 125 Ų | 125 | 74.6 Ų | 74.6 | 65% | 0.654 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -70.2 | -36.8 | 173.6 | -64.9 | 170 | 0 | 0 | 0 | 111 | D50 F55 S56 | D50-L52 VanDerWaalsContact C-N 3.25Å; D50-L52 PolarHBondContact O-N 3.44Å; D50-L52 WeakPolarHBondContact OD1-CA 3.31Å; D50-L52 VanDerWaalsContact OD1-CB 3.27Å; D50-L52 WeakPolarHBondContact OD1-CB 3.35Å; D50-L52 PolarHBondContact OD1-N 3.04Å; L52-F55 PolarHBondContact O-N 3.35Å; L52-S56 WeakPolarHBondContact O-CB 3.34Å; L52-S56 PolarHBondContact O-N 3.32Å; L52-S56 PolarHBondContact O-OG 2.79Å |
| 53 | E | 89.2 | Confident | 86 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 172.6 | -70.8 | -176.1 | 168.3 | 0 | 0 | 110.7 | K21 D50 S56 L57 | K21-E53 HydrophobicContact CB-CB 3.92Å; K21-E53 HydrophobicContact CB-CG 3.89Å; K21-E53 HydrophobicContact CD-CG 4.19Å; K21-E53 WeakPolarHBondContact CD-OE1 3.21Å; K21-E53 WeakPolarHBondContact CE-OE1 3.46Å; K21-E53 HydrophobicContact CG-CG 4.15Å; K21-E53 IonicContact NZ-OE1 2.68Å; K21-E53 PolarHBondContact NZ-OE1 3.36Å; K21-E53 IonicContact NZ-OE2 3.65Å; D50-E53 HydrophobicContact CB-CB 3.96Å; D50-E53 HydrophobicContact CB-CG 3.66Å; D50-E53 WeakPolarHBondContact O-CB 3.37Å; D50-E53 PolarHBondContact O-N 3.43Å; E53-S56 PolarHBondContact O-N 3.37Å; E53-L57 VanDerWaalsContact O-CG 3.31Å; E53-L57 WeakPolarHBondContact O-CG 3.39Å; E53-L57 PolarHBondContact O-N 3.38Å; E53-L57 VanDerWaalsContact O-N 3.08Å |
| 54 | Y | 89.2 | Confident | 85.8 | Confident | 128 Ų | 128 | 73.7 Ų | 73.7 | 50% | 0.502 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 176.4 | -173.2 | -100.3 | 0 | 0 | 0 | 111.9 | I47 D50 L51 S56 L57 V58 | I47-Y54 HydrophobicContact CG2-CD2 4.18Å; D50-Y54 PolarHBondContact O-N 3.26Å; D50-Y54 VanDerWaalsContact O-N 3.07Å; L51-Y54 PolarHBondContact O-N 2.77Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.2Å; Y54-L57 PolarHBondContact O-N 3.47Å; Y54-V58 HydrophobicContact CD1-CG2 4.03Å; Y54-V58 HydrophobicContact CE1-CG2 3.64Å; Y54-V58 HydrophobicContact CE2-CG2 4.28Å; Y54-V58 WeakPolarHBondContact O-CG2 3.42Å; Y54-V58 PolarHBondContact O-N 3.47Å |
| 55 | F | 90.4 | Very high | 85.9 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 34% | 0.342 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.9 | -47.1 | 175.1 | 176 | -90.8 | 0 | 0 | 0 | 111.3 | L51 L52 L57 V58 H59 L66 | L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.21Å; L51-F55 PolarHBondContact O-N 3.08Å; L52-F55 PolarHBondContact O-N 3.35Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 2.93Å; F55-V58 PolarHBondContact O-N 3.2Å; F55-H59 HydrophobicContact CE1-CB 4.23Å; F55-H59 HydrophobicContact CZ-CB 4.47Å; F55-H59 WeakPolarHBondContact O-CB 3.28Å; F55-H59 PolarHBondContact O-N 3.1Å; F55-L66 HydrophobicContact CD2-CB 4.04Å; F55-L66 HydrophobicContact CD2-CD1 3.72Å; F55-L66 HydrophobicContact CE2-CB 3.78Å; F55-L66 HydrophobicContact CE2-CD1 4.29Å |
| 56 | S | 90.8 | Very high | 86.1 | Confident | 13 Ų | 13 | 75.7 Ų | 75.7 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 179.4 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | K21 L52 E53 Y54 F60 | K21-S56 WeakPolarHBondContact O-CB 3.22Å; K21-S56 PolarHBondContact O-OG 3.21Å; L52-S56 WeakPolarHBondContact O-CB 3.34Å; L52-S56 PolarHBondContact O-N 3.32Å; L52-S56 PolarHBondContact O-OG 2.79Å; E53-S56 PolarHBondContact O-N 3.37Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.2Å; S56-F60 WeakPolarHBondContact O-CB 3.29Å; S56-F60 PolarHBondContact O-N 3.45Å |
| 57 | L | 92 | Very high | 86.4 | Confident | 9 Ų | 9 | 75.9 Ų | 75.9 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.3 | -40.2 | 178.9 | -66 | 171.4 | 0 | 0 | 0 | 112.6 | G17 L20 K21 L41 I47 E53 Y54 F55 F60 V61 | G17-L57 WeakPolarHBondContact O-CD2 3.4Å; L20-L57 VanDerWaalsContact C-CD2 3.48Å; L20-L57 HydrophobicContact CB-CD2 3.87Å; K21-L57 HydrophobicContact CB-CD1 4.41Å; K21-L57 HydrophobicContact CB-CG 4.48Å; L41-L57 HydrophobicContact CD1-CB 4.14Å; L41-L57 HydrophobicContact CD1-CD2 3.8Å; I47-L57 HydrophobicContact CB-CD1 4.38Å; I47-L57 HydrophobicContact CD1-CD1 3.32Å; I47-L57 HydrophobicContact CG1-CD1 3.65Å; I47-L57 HydrophobicContact CG2-CD1 3.83Å; E53-L57 VanDerWaalsContact O-CG 3.31Å; E53-L57 WeakPolarHBondContact O-CG 3.39Å; E53-L57 PolarHBondContact O-N 3.38Å; E53-L57 VanDerWaalsContact O-N 3.08Å; Y54-L57 PolarHBondContact O-N 3.47Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 2.93Å; L57-F60 PolarHBondContact O-N 2.9Å; L57-V61 WeakPolarHBondContact O-CG2 3.27Å; L57-V61 PolarHBondContact O-N 3.23Å |
| 58 | V | 91.3 | Very high | 85.8 | Confident | 30 Ų | 30 | 80.5 Ų | 80.5 | 18% | 0.182 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67 | -45.1 | 175.9 | 175 | 0 | 0 | 0 | 0 | 110.7 | Y54 F55 F60 V61 N62 I65 L66 | Y54-V58 HydrophobicContact CD1-CG2 4.03Å; Y54-V58 HydrophobicContact CE1-CG2 3.64Å; Y54-V58 HydrophobicContact CE2-CG2 4.28Å; Y54-V58 WeakPolarHBondContact O-CG2 3.42Å; Y54-V58 PolarHBondContact O-N 3.47Å; F55-V58 PolarHBondContact O-N 3.2Å; V58-F60 VanDerWaalsContact C-N 3.27Å; V58-F60 PolarHBondContact O-N 3.41Å; V58-V61 PolarHBondContact O-N 3.43Å; V58-V61 VanDerWaalsContact O-N 3.13Å; V58-N62 PolarHBondContact O-N 2.88Å; V58-I65 HydrophobicContact CG1-CG2 3.54Å; V58-L66 HydrophobicContact CB-CD1 3.8Å; V58-L66 HydrophobicContact CG1-CD1 3.57Å; V58-L66 HydrophobicContact CG1-CD2 4.46Å; V58-L66 HydrophobicContact CG1-CG 3.81Å; V58-L66 HydrophobicContact CG2-CD1 4.4Å |
| 59 | H | 92.2 | Very high | 86.9 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 22% | 0.218 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 177.1 | -172.7 | 90.5 | 0 | 0 | 0 | 111.7 | F55 N62 S63 D67 | F55-H59 HydrophobicContact CE1-CB 4.23Å; F55-H59 HydrophobicContact CZ-CB 4.47Å; F55-H59 WeakPolarHBondContact O-CB 3.28Å; F55-H59 PolarHBondContact O-N 3.1Å; H59-N62 CarbonylContact O-C 3.51Å; H59-S63 VanDerWaalsContact O-CA 3.27Å; H59-S63 WeakPolarHBondContact O-CA 3.21Å; H59-S63 PolarHBondContact O-N 2.83Å; H59-S63 PolarHBondContact O-OG 3.48Å; H59-D67 IonicContact CE1-OD2 3.01Å; H59-D67 IonicContact ND1-OD1 3.64Å; H59-D67 IonicContact ND1-OD2 3.23Å |
| 60 | F | 92.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 0% | 0.004 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 173.4 | -177.8 | -96.6 | 0 | 0 | 0 | 112.8 | L20 Y28 L31 D32 R39 L41 S56 L57 V58 | L20-F60 HydrophobicContact CD1-CD1 4.05Å; L20-F60 HydrophobicContact CD1-CD2 4.49Å; L20-F60 HydrophobicContact CD1-CE1 3.68Å; L20-F60 HydrophobicContact CD1-CE2 4.16Å; L20-F60 HydrophobicContact CD1-CG 4.44Å; L20-F60 HydrophobicContact CD1-CZ 3.74Å; Y28-F60 HydrophobicContact CD2-CB 4.48Å; Y28-F60 AromaticContact CD2-CD2 3.9Å; Y28-F60 HydrophobicContact CD2-CD2 3.9Å; Y28-F60 HydrophobicContact CD2-CG 4.48Å; Y28-F60 HydrophobicContact CE1-CD2 4.35Å; Y28-F60 HydrophobicContact CE2-CB 3.63Å; Y28-F60 AromaticContact CE2-CD2 3.67Å; Y28-F60 HydrophobicContact CE2-CD2 3.67Å; Y28-F60 HydrophobicContact CE2-CG 4.03Å; Y28-F60 HydrophobicContact CG-CD2 4.36Å; Y28-F60 AromaticContact CZ-CD2 3.86Å; L31-F60 HydrophobicContact CB-CE2 3.76Å; L31-F60 HydrophobicContact CB-CZ 3.71Å; L31-F60 HydrophobicContact CD1-CZ 4.29Å; D32-F60 HydrophobicContact CB-CD2 4.38Å; D32-F60 HydrophobicContact CB-CE2 4.26Å; R39-F60 WeakPolarHBondContact CD-O 3.4Å; R39-F60 PolarHBondContact NH1-O 3.07Å; L41-F60 HydrophobicContact CD1-CD1 4.02Å; L41-F60 HydrophobicContact CD2-CD1 3.77Å; L41-F60 HydrophobicContact CD2-CE1 3.71Å; L41-F60 HydrophobicContact CG-CD1 4.12Å; L41-F60 HydrophobicContact CG-CE1 4.47Å; S56-F60 WeakPolarHBondContact O-CB 3.29Å; S56-F60 PolarHBondContact O-N 3.45Å; L57-F60 PolarHBondContact O-N 2.9Å; V58-F60 VanDerWaalsContact C-N 3.27Å; V58-F60 PolarHBondContact O-N 3.41Å |
| 61 | V | 93.2 | Very high | 87.6 | Confident | 60 Ų | 60 | 73 Ų | 73 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -75.5 | -41.3 | -178.7 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L41 L57 V58 | L41-V61 HydrophobicContact CB-CG2 4.28Å; L41-V61 HydrophobicContact CD1-CG2 3.56Å; L41-V61 HydrophobicContact CG-CG2 3.53Å; L57-V61 WeakPolarHBondContact O-CG2 3.27Å; L57-V61 PolarHBondContact O-N 3.23Å; V58-V61 PolarHBondContact O-N 3.43Å; V58-V61 VanDerWaalsContact O-N 3.13Å |
| 62 | N | 91.6 | Very high | 87.6 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -148.3 | 84.8 | -176 | -170.6 | -1.1 | 0 | 0 | 0 | 110.2 | V58 H59 I65 | V58-N62 PolarHBondContact O-N 2.88Å; H59-N62 CarbonylContact O-C 3.51Å; N62-I65 HydrophobicContact CB-CB 4.45Å; N62-I65 HydrophobicContact CB-CG2 4.25Å; N62-I65 VanDerWaalsContact O-CG2 3.25Å; N62-I65 WeakPolarHBondContact O-CG2 3.33Å; N62-I65 PolarHBondContact O-N 3.48Å |
| 63 | S | 88.8 | Confident | 87.5 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 42% | 0.42 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 135.5 | 177 | -40.5 | 0 | 0 | 0 | 0 | 109.9 | H59 | H59-S63 VanDerWaalsContact O-CA 3.27Å; H59-S63 WeakPolarHBondContact O-CA 3.21Å; H59-S63 PolarHBondContact O-N 2.83Å; H59-S63 PolarHBondContact O-OG 3.48Å |
| 64 | G | 85.9 | Confident | 87.4 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -14 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L66 D67 | G64-L66 VanDerWaalsContact C-N 3.32Å; G64-L66 PolarHBondContact O-N 2.8Å; G64-D67 WeakPolarHBondContact CA-OD2 3.49Å; G64-D67 PolarHBondContact N-OD2 2.78Å |
| 65 | I | 90 | Very high | 87.3 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -71.3 | -28 | -178.7 | -162.5 | 176 | 0 | 0 | 0 | 113.2 | V58 N62 | V58-I65 HydrophobicContact CG1-CG2 3.54Å; N62-I65 HydrophobicContact CB-CB 4.45Å; N62-I65 HydrophobicContact CB-CG2 4.25Å; N62-I65 VanDerWaalsContact O-CG2 3.25Å; N62-I65 WeakPolarHBondContact O-CG2 3.33Å; N62-I65 PolarHBondContact O-N 3.48Å |
| 66 | L | 85.8 | Confident | 87.1 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 42% | 0.424 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -108.9 | -0.1 | -178 | -61.1 | -176 | 0 | 0 | 0 | 113.5 | F55 V58 G64 A68 | F55-L66 HydrophobicContact CD2-CB 4.04Å; F55-L66 HydrophobicContact CD2-CD1 3.72Å; F55-L66 HydrophobicContact CE2-CB 3.78Å; F55-L66 HydrophobicContact CE2-CD1 4.29Å; V58-L66 HydrophobicContact CB-CD1 3.8Å; V58-L66 HydrophobicContact CG1-CD1 3.57Å; V58-L66 HydrophobicContact CG1-CD2 4.46Å; V58-L66 HydrophobicContact CG1-CG 3.81Å; V58-L66 HydrophobicContact CG2-CD1 4.4Å; G64-L66 VanDerWaalsContact C-N 3.32Å; G64-L66 PolarHBondContact O-N 2.8Å; L66-A68 PolarHBondContact O-N 2.68Å; L66-A68 VanDerWaalsContact O-N 3.1Å |
| 67 | D | 78.6 | Confident | 86.8 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | trans | -84.4 | 24 | -171.9 | -57.9 | -23.9 | 0 | 0 | 0 | 112.7 | H59 G64 | H59-D67 IonicContact CE1-OD2 3.01Å; H59-D67 IonicContact ND1-OD1 3.64Å; H59-D67 IonicContact ND1-OD2 3.23Å; G64-D67 WeakPolarHBondContact CA-OD2 3.49Å; G64-D67 PolarHBondContact N-OD2 2.78Å | ||
| 68 | A | 59.2 | Low | 86.3 | Confident | 163 Ų | 163 | 69.5 Ų | 69.5 | 100% | 1.347 | 45% | 0.445 | S | S | * | . | trans | -89.4 | 0 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L66 | L66-A68 PolarHBondContact O-N 2.68Å; L66-A68 VanDerWaalsContact O-N 3.1Å |
Retrieved 68 of 68 residues in 70.8 ms
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