| 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 | D | 82.7 | Confident | 96.1 | Very high | 208 Ų | 208 | 97.8 Ų | 97.8 | 100% | 1.112 | 49% | 0.493 | S | S | * | . | 0 | 145.9 | 0 | -55.8 | -20.9 | 0 | 0 | 0 | 111.7 | |||||
| 2 | F | 95.1 | Very high | 96.1 | Very high | 141 Ų | 141 | 95.7 Ų | 95.7 | 62% | 0.618 | 48% | 0.478 | S | S | * | . | trans | -115.9 | 133.9 | 177.9 | 170.4 | -93.8 | 0 | 0 | 0 | 109 | Y27 N28 | F2-Y27 HydrophobicContact CE1-CD1 4.1Å; F2-Y27 HydrophobicContact CE1-CE1 4.13Å; F2-Y27 AromaticContact CE2-CD1 3.53Å; F2-Y27 HydrophobicContact CE2-CD1 3.53Å; F2-Y27 HydrophobicContact CE2-CE1 4.1Å; F2-Y27 HydrophobicContact CE2-CG 4.18Å; F2-Y27 AromaticContact CZ-CD1 3.16Å; F2-Y27 HydrophobicContact CZ-CD1 3.16Å; F2-Y27 AromaticContact CZ-CE1 3.31Å; F2-Y27 HydrophobicContact CZ-CE1 3.31Å; F2-Y27 HydrophobicContact CZ-CG 4.2Å; F2-N28 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 3 | V | 97.8 | Very high | 96.1 | Very high | 72 Ų | 72 | 94.9 Ų | 94.9 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | trans | -126.7 | 136.6 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | Q5 Y27 N28 | V3-Q5 HydrophobicContact CG1-CG 3.8Å; V3-Y27 CarbonylContact O-C 3.49Å; V3-N28 PolarHBondContact N-OD1 3.25Å; V3-N28 PolarHBondContact O-N 2.86Å | ||
| 4 | Y | 97.2 | Very high | 96 | Very high | 101 Ų | 101 | 97.1 Ų | 97.1 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.1 | 166.3 | 176.3 | -104.3 | 0 | 0 | 0 | 109.6 | H25 I26 Y27 Y32 | Y4-H25 HydrophobicContact CE2-CB 4.36Å; Y4-H25 AromaticContact CZ-ND1 3.92Å; Y4-H25 PolarHBondContact OH-ND1 3Å; Y4-I26 WeakPolarHBondContact CA-O 3.28Å; Y4-I26 WeakPolarHBondContact CD2-O 3.41Å; Y4-Y27 AromaticContact CD2-CD1 3.47Å; Y4-Y27 HydrophobicContact CD2-CD1 3.47Å; Y4-Y27 VanDerWaalsContact CD2-CD1 3.47Å; Y4-Y27 AromaticContact CD2-CE1 3.15Å; Y4-Y27 HydrophobicContact CD2-CE1 3.15Å; Y4-Y27 HydrophobicContact CD2-CE2 4.44Å; Y4-Y27 HydrophobicContact CD2-CG 4.22Å; Y4-Y27 AromaticContact CD2-CZ 3.72Å; Y4-Y27 HydrophobicContact CE2-CD1 4.38Å; Y4-Y27 AromaticContact CE2-CE1 3.85Å; Y4-Y27 HydrophobicContact CE2-CE1 3.85Å; Y4-Y27 HydrophobicContact CE2-CE2 4.49Å; Y4-Y27 AromaticContact CE2-CZ 3.92Å; Y4-Y27 HydrophobicContact CG-CD1 4.2Å; Y4-Y27 AromaticContact CG-CE1 3.88Å; Y4-Y27 HydrophobicContact CG-CE1 3.88Å; Y4-Y32 AromaticContact CE2-CE1 3.93Å; Y4-Y32 HydrophobicContact CE2-CE1 3.93Å |
| 5 | Q | 98.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 92.7 Ų | 92.7 | 36% | 0.36 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 141.5 | -180 | -45 | 175.1 | 130.5 | 0 | 0 | 110.1 | V3 I26 | V3-Q5 HydrophobicContact CG1-CG 3.8Å; Q5-I26 HydrophobicContact CB-CB 4.23Å; Q5-I26 PolarHBondContact N-O 2.93Å; Q5-I26 PolarHBondContact O-N 2.94Å |
| 6 | F | 97.5 | Very high | 95.6 | Very high | 121 Ų | 121 | 89.9 Ų | 89.9 | 53% | 0.531 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.5 | 170.4 | 175.9 | -90.4 | 0 | 0 | 0 | 108.5 | T23 R24 H25 | F6-T23 HydrophobicContact CD2-CG2 3.93Å; F6-T23 HydrophobicContact CE1-CG2 4.41Å; F6-T23 HydrophobicContact CE2-CG2 3.09Å; F6-T23 HydrophobicContact CZ-CG2 3.38Å; F6-R24 WeakPolarHBondContact CA-O 3.49Å; F6-H25 AromaticContact CD2-CE1 3.49Å; F6-H25 VanDerWaalsContact CD2-CE1 3.49Å; F6-H25 WeakPolarHBondContact CD2-CE1 3.46Å; F6-H25 AromaticContact CD2-ND1 3.82Å; F6-H25 AromaticContact CD2-NE2 3.93Å; F6-H25 AromaticContact CE2-CE1 3.6Å; F6-H25 AromaticContact CE2-NE2 3.74Å |
| 7 | K | 98.1 | Very high | 95.5 | Very high | 92 Ų | 92 | 93.2 Ų | 93.2 | 40% | 0.4 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 115.8 | 174.4 | -59 | -168 | 177.5 | -168.2 | 0 | 110.1 | L9 T23 R24 I26 | K7-L9 HydrophobicContact CB-CD2 4.47Å; K7-L9 HydrophobicContact CB-CG 4.3Å; K7-T23 CarbonylContact O-C 3.54Å; K7-T23 VanDerWaalsContact O-CA 3.31Å; K7-T23 WeakPolarHBondContact O-CA 3.39Å; K7-R24 HydrophobicContact CB-CB 4.34Å; K7-R24 PolarHBondContact N-O 3.03Å; K7-R24 PolarHBondContact O-N 2.94Å; K7-I26 HydrophobicContact CD-CD1 4.15Å; K7-I26 HydrophobicContact CG-CD1 4.3Å |
| 8 | G | 97.3 | Very high | 95.6 | Very high | 54 Ų | 54 | 96.3 Ų | 96.3 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 111.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 9 | L | 98.1 | Very high | 95.7 | Very high | 47 Ų | 47 | 91.8 Ų | 91.8 | 25% | 0.246 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.2 | -175.3 | -57.3 | 166.6 | 0 | 0 | 0 | 109 | K7 Y11 G21 V22 R24 | K7-L9 HydrophobicContact CB-CD2 4.47Å; K7-L9 HydrophobicContact CB-CG 4.3Å; L9-Y11 HydrophobicContact CB-CD2 4.47Å; L9-Y11 HydrophobicContact CB-CE2 3.72Å; L9-Y11 HydrophobicContact CD1-CE2 4.39Å; L9-G21 CarbonylContact O-C 3.58Å; L9-G21 WeakPolarHBondContact O-CA 3.48Å; L9-V22 HydrophobicContact CB-CB 4.29Å; L9-V22 WeakPolarHBondContact CB-O 3.49Å; L9-V22 PolarHBondContact N-O 3.29Å; L9-V22 PolarHBondContact O-N 3.2Å; L9-R24 HydrophobicContact CD1-CG 4.21Å |
| 10 | C | 97.9 | Very high | 95.8 | Very high | 43 Ų | 43 | 91.9 Ų | 91.9 | 29% | 0.291 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 117.5 | 175.4 | -61.6 | 0 | 0 | 0 | 0 | 108.1 | F12 C74 | C10-F12 HydrophobicContact CB-CD2 4.43Å; C10-F12 HydrophobicContact CB-CE2 3.48Å; C10-F12 VanDerWaalsContact CB-CE2 3.48Å; C10-F12 HydrophobicContact CB-CZ 3.53Å; C10-F12 WeakPolarHBondContact O-CD2 3.31Å; C10-F12 WeakPolarHBondContact O-CE2 3.35Å; C10-C74 HydrophobicContact CB-CB 3.52Å; C10-C74 WeakPolarHBondContact CB-SG 3.37Å; C10-C74 WeakPolarHBondContact SG-CA 3.34Å; C10-C74 WeakPolarHBondContact SG-CB 3.43Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.47Å |
| 11 | Y | 97.4 | Very high | 95.9 | Very high | 120 Ų | 120 | 87.6 Ų | 87.6 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.6 | 177.9 | -60.2 | -86.1 | 0 | 0 | 0 | 109.1 | L9 V19 R20 V22 | L9-Y11 HydrophobicContact CB-CD2 4.47Å; L9-Y11 HydrophobicContact CB-CE2 3.72Å; L9-Y11 HydrophobicContact CD1-CE2 4.39Å; Y11-V19 WeakPolarHBondContact O-CA 3.22Å; Y11-R20 PolarHBondContact N-O 3.15Å; Y11-R20 PolarHBondContact O-N 3.14Å; Y11-V22 HydrophobicContact CD2-CG2 4.23Å; Y11-V22 HydrophobicContact CE2-CB 4.27Å; Y11-V22 HydrophobicContact CE2-CG2 3.96Å |
| 12 | F | 96.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 78.1 Ų | 78.1 | 32% | 0.316 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132.6 | -174.7 | -60.4 | -83.6 | 0 | 0 | 0 | 109.3 | C10 G15 V19 C74 Y78 | C10-F12 HydrophobicContact CB-CD2 4.43Å; C10-F12 HydrophobicContact CB-CE2 3.48Å; C10-F12 VanDerWaalsContact CB-CE2 3.48Å; C10-F12 HydrophobicContact CB-CZ 3.53Å; C10-F12 WeakPolarHBondContact O-CD2 3.31Å; C10-F12 WeakPolarHBondContact O-CE2 3.35Å; F12-G15 WeakPolarHBondContact CB-O 3.49Å; F12-V19 HydrophobicContact CD1-CG1 4.09Å; F12-V19 HydrophobicContact CD1-CG2 3.85Å; F12-V19 HydrophobicContact CE1-CG1 3.82Å; F12-V19 HydrophobicContact CE1-CG2 4.11Å; F12-C74 HydrophobicContact CE1-CB 4.23Å; F12-C74 HydrophobicContact CZ-CB 4.02Å; F12-C74 WeakPolarHBondContact CZ-O 3.44Å; F12-Y78 HydrophobicContact CB-CD2 4.37Å; F12-Y78 HydrophobicContact CB-CE2 4.19Å; F12-Y78 AromaticContact CD1-CD2 3.37Å; F12-Y78 HydrophobicContact CD1-CD2 3.37Å; F12-Y78 AromaticContact CD1-CE2 3.95Å; F12-Y78 HydrophobicContact CD1-CE2 3.95Å; F12-Y78 HydrophobicContact CD1-CG 4.07Å; F12-Y78 AromaticContact CD2-CD2 3.99Å; F12-Y78 HydrophobicContact CD2-CD2 3.99Å; F12-Y78 HydrophobicContact CD2-CE2 4.49Å; F12-Y78 AromaticContact CE1-CD2 3.5Å; F12-Y78 HydrophobicContact CE1-CD2 3.5Å; F12-Y78 VanDerWaalsContact CE1-CD2 3.5Å; F12-Y78 HydrophobicContact CE1-CE2 4.49Å; F12-Y78 AromaticContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE2-CD2 4.09Å; F12-Y78 AromaticContact CG-CD2 3.64Å; F12-Y78 HydrophobicContact CG-CD2 3.64Å; F12-Y78 AromaticContact CG-CE2 3.95Å; F12-Y78 HydrophobicContact CG-CE2 3.95Å; F12-Y78 AromaticContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CG 4.3Å |
| 13 | T | 96.1 | Very high | 96.8 | Very high | 86 Ų | 86 | 72.2 Ų | 72.2 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131 | 175 | -54.1 | 0 | 0 | 0 | 0 | 108.8 | R18 | T13-R18 PolarHBondContact N-O 3.11Å; T13-R18 PolarHBondContact O-N 3.44Å |
| 14 | N | 93.8 | Very high | 96.8 | Very high | 125 Ų | 125 | 72.4 Ų | 72.4 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 59.1 | -171 | -159.1 | 24.4 | 0 | 0 | 0 | 112.4 | T16 E17 | N14-T16 PolarHBondContact O-N 2.7Å; N14-E17 HydrophobicContact CB-CB 4.26Å; N14-E17 PolarHBondContact ND2-OE2 2.94Å; N14-E17 WeakPolarHBondContact O-CB 3.31Å; N14-E17 PolarHBondContact O-N 3.06Å |
| 15 | G | 91.3 | Very high | 96.9 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 32% | 0.32 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -121.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F12 Y78 | F12-G15 WeakPolarHBondContact CB-O 3.49Å; G15-Y78 WeakPolarHBondContact CA-OH 3.45Å |
| 16 | T | 95 | Very high | 96.9 | Very high | 48 Ų | 48 | 64.9 Ų | 64.9 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 7.3 | 177.3 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | N14 R18 R75 Y78 | N14-T16 PolarHBondContact O-N 2.7Å; T16-R18 PolarHBondContact O-N 3.1Å; T16-R75 PolarHBondContact O-NH1 3.12Å; T16-R75 PolarHBondContact O-NH2 2.83Å; T16-Y78 HydrophobicContact CG2-CD1 3.34Å; T16-Y78 HydrophobicContact CG2-CD2 4.29Å; T16-Y78 HydrophobicContact CG2-CE1 3.65Å; T16-Y78 HydrophobicContact CG2-CG 3.72Å |
| 17 | E | 94.1 | Very high | 96.9 | Very high | 146 Ų | 146 | 63.7 Ų | 63.7 | 68% | 0.682 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -52 | -179.1 | -171.9 | -176.5 | 164.7 | 0 | 0 | 111.7 | N14 | N14-E17 HydrophobicContact CB-CB 4.26Å; N14-E17 PolarHBondContact ND2-OE2 2.94Å; N14-E17 WeakPolarHBondContact O-CB 3.31Å; N14-E17 PolarHBondContact O-N 3.06Å |
| 18 | R | 96.4 | Very high | 96.8 | Very high | 149 Ų | 149 | 63 Ų | 63 | 56% | 0.562 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.9 | 171.7 | -175.9 | 176.9 | -178.4 | 137.2 | 2.2 | 110.3 | T13 T16 D38 | T13-R18 PolarHBondContact N-O 3.11Å; T13-R18 PolarHBondContact O-N 3.44Å; T16-R18 PolarHBondContact O-N 3.1Å; R18-D38 IonicContact NH2-OD2 3Å; R18-D38 PolarHBondContact NH2-OD2 3.15Å |
| 19 | V | 97.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 72 Ų | 72 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.5 | 177.2 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | Y11 F12 V70 C74 R75 | Y11-V19 WeakPolarHBondContact O-CA 3.22Å; F12-V19 HydrophobicContact CD1-CG1 4.09Å; F12-V19 HydrophobicContact CD1-CG2 3.85Å; F12-V19 HydrophobicContact CE1-CG1 3.82Å; F12-V19 HydrophobicContact CE1-CG2 4.11Å; V19-V70 HydrophobicContact CB-CG1 3.95Å; V19-V70 HydrophobicContact CG1-CG1 3.92Å; V19-C74 HydrophobicContact CG1-CB 3.55Å; V19-R75 HydrophobicContact CG2-CG 4.15Å |
| 20 | R | 97.9 | Very high | 96.7 | Very high | 93 Ų | 93 | 75 Ų | 75 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 118.6 | 174.5 | -179.9 | -178.1 | 171.9 | -161.2 | 2.9 | 109.8 | Y11 V22 D36 S37 | Y11-R20 PolarHBondContact N-O 3.15Å; Y11-R20 PolarHBondContact O-N 3.14Å; R20-V22 HydrophobicContact CG-CG2 4.09Å; R20-D36 IonicContact CZ-OD1 2.66Å; R20-D36 IonicContact CZ-OD2 3.52Å; R20-D36 IonicContact NE-OD1 2.91Å; R20-D36 PolarHBondContact NE-OD1 2.97Å; R20-D36 IonicContact NE-OD2 3.4Å; R20-D36 PolarHBondContact NE-OD2 2.87Å; R20-D36 IonicContact NH2-OD1 3.72Å; R20-D36 IonicContact NH2-OD2 3.41Å; R20-D36 PolarHBondContact NH2-OD2 3.37Å; R20-S37 WeakPolarHBondContact CA-OG 3.32Å |
| 21 | G | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 73.7 Ų | 73.7 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L9 S37 | L9-G21 CarbonylContact O-C 3.58Å; L9-G21 WeakPolarHBondContact O-CA 3.48Å; G21-S37 PolarHBondContact N-OG 2.85Å; G21-S37 WeakPolarHBondContact O-CB 3.35Å; G21-S37 PolarHBondContact O-N 2.83Å; G21-S37 PolarHBondContact O-OG 2.96Å |
| 22 | V | 98.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.3 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | L9 Y11 R20 R24 F35 | L9-V22 HydrophobicContact CB-CB 4.29Å; L9-V22 WeakPolarHBondContact CB-O 3.49Å; L9-V22 PolarHBondContact N-O 3.29Å; L9-V22 PolarHBondContact O-N 3.2Å; Y11-V22 HydrophobicContact CD2-CG2 4.23Å; Y11-V22 HydrophobicContact CE2-CB 4.27Å; Y11-V22 HydrophobicContact CE2-CG2 3.96Å; R20-V22 HydrophobicContact CG-CG2 4.09Å; V22-R24 HydrophobicContact CG1-CG 3.97Å; V22-F35 CarbonylContact C-O 3.53Å; V22-F35 WeakPolarHBondContact CA-O 3.11Å |
| 23 | T | 98 | Very high | 96.9 | Very high | 17 Ų | 17 | 65.3 Ų | 65.3 | 10% | 0.104 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.8 | 172.8 | -67.2 | 0 | 0 | 0 | 0 | 109.2 | F6 K7 H25 R34 F35 | F6-T23 HydrophobicContact CD2-CG2 3.93Å; F6-T23 HydrophobicContact CE1-CG2 4.41Å; F6-T23 HydrophobicContact CE2-CG2 3.09Å; F6-T23 HydrophobicContact CZ-CG2 3.38Å; K7-T23 CarbonylContact O-C 3.54Å; K7-T23 VanDerWaalsContact O-CA 3.31Å; K7-T23 WeakPolarHBondContact O-CA 3.39Å; T23-H25 WeakPolarHBondContact CG2-NE2 3.5Å; T23-R34 CarbonylContact O-C 3.57Å; T23-R34 WeakPolarHBondContact O-CA 3.28Å; T23-R34 WeakPolarHBondContact O-CB 3.47Å; T23-F35 PolarHBondContact N-O 2.84Å; T23-F35 PolarHBondContact O-N 2.84Å |
| 24 | R | 98.3 | Very high | 97 | Very high | 77 Ų | 77 | 64.9 Ų | 64.9 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.3 | -179 | -53.7 | 176.6 | 67.7 | -170.4 | -3.5 | 110.4 | F6 K7 L9 V22 I26 E31 | F6-R24 WeakPolarHBondContact CA-O 3.49Å; K7-R24 HydrophobicContact CB-CB 4.34Å; K7-R24 PolarHBondContact N-O 3.03Å; K7-R24 PolarHBondContact O-N 2.94Å; L9-R24 HydrophobicContact CD1-CG 4.21Å; V22-R24 HydrophobicContact CG1-CG 3.97Å; R24-I26 HydrophobicContact CB-CD1 4.33Å; R24-I26 HydrophobicContact CB-CG1 4.41Å; R24-E31 HydrophobicContact CB-CG 4.37Å; R24-E31 VanDerWaalsContact CG-OE1 3.29Å; R24-E31 WeakPolarHBondContact CG-OE1 3.1Å; R24-E31 IonicContact CZ-OE2 3.17Å; R24-E31 IonicContact NE-OE1 3.1Å; R24-E31 PolarHBondContact NE-OE1 3.17Å; R24-E31 VanDerWaalsContact NE-OE1 3.1Å; R24-E31 IonicContact NE-OE2 2.92Å; R24-E31 PolarHBondContact NE-OE2 3.26Å; R24-E31 IonicContact NH2-OE2 2.63Å; R24-E31 PolarHBondContact NH2-OE2 2.85Å |
| 25 | H | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.9 | 174.2 | -61.2 | -104.9 | 0 | 0 | 0 | 109.3 | Y4 F6 T23 E31 Y32 V33 W56 | Y4-H25 HydrophobicContact CE2-CB 4.36Å; Y4-H25 AromaticContact CZ-ND1 3.92Å; Y4-H25 PolarHBondContact OH-ND1 3Å; F6-H25 AromaticContact CD2-CE1 3.49Å; F6-H25 VanDerWaalsContact CD2-CE1 3.49Å; F6-H25 WeakPolarHBondContact CD2-CE1 3.46Å; F6-H25 AromaticContact CD2-ND1 3.82Å; F6-H25 AromaticContact CD2-NE2 3.93Å; F6-H25 AromaticContact CE2-CE1 3.6Å; F6-H25 AromaticContact CE2-NE2 3.74Å; T23-H25 WeakPolarHBondContact CG2-NE2 3.5Å; H25-E31 WeakPolarHBondContact O-CA 3.35Å; H25-Y32 HydrophobicContact CB-CD1 4.25Å; H25-Y32 HydrophobicContact CB-CE1 3.47Å; H25-Y32 VanDerWaalsContact CB-CE1 3.47Å; H25-Y32 WeakPolarHBondContact O-CD1 3.31Å; H25-Y32 WeakPolarHBondContact O-CE1 3.14Å; H25-Y32 PolarHBondContact O-N 2.94Å; H25-Y32 VanDerWaalsContact O-N 3.07Å; H25-V33 HydrophobicContact CB-CG1 3.65Å; H25-V33 PolarHBondContact N-O 3.11Å; H25-W56 AromaticContact CD2-CH2 3.97Å; H25-W56 AromaticContact CD2-CZ3 3.71Å; H25-W56 AromaticContact CE1-CH2 3.36Å; H25-W56 WeakPolarHBondContact CE1-CH2 3.43Å; H25-W56 AromaticContact CE1-CZ3 3.73Å; H25-W56 AromaticContact CG-CH2 3.92Å; H25-W56 AromaticContact ND1-CH2 3.55Å; H25-W56 AromaticContact NE2-CH2 3.65Å; H25-W56 AromaticContact NE2-CZ3 3.5Å; H25-W56 WeakPolarHBondContact NE2-CZ3 3.38Å |
| 26 | I | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.046 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 125.2 | -165.1 | -55.2 | 164.3 | 0 | 0 | 0 | 109.3 | Y4 Q5 K7 R24 E30 E31 | Y4-I26 WeakPolarHBondContact CA-O 3.28Å; Y4-I26 WeakPolarHBondContact CD2-O 3.41Å; Q5-I26 HydrophobicContact CB-CB 4.23Å; Q5-I26 PolarHBondContact N-O 2.93Å; Q5-I26 PolarHBondContact O-N 2.94Å; K7-I26 HydrophobicContact CD-CD1 4.15Å; K7-I26 HydrophobicContact CG-CD1 4.3Å; R24-I26 HydrophobicContact CB-CD1 4.33Å; R24-I26 HydrophobicContact CB-CG1 4.41Å; I26-E30 WeakPolarHBondContact CA-O 3.22Å; I26-E31 HydrophobicContact CG1-CB 3.96Å; I26-E31 HydrophobicContact CG1-CG 4.2Å |
| 27 | Y | 97.3 | Very high | 97.7 | Very high | 95 Ų | 95 | 57.2 Ų | 57.2 | 37% | 0.373 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.5 | 165.9 | -73.2 | -60.7 | 0 | 0 | 0 | 109.3 | F2 V3 Y4 R29 E30 Y32 | F2-Y27 HydrophobicContact CE1-CD1 4.1Å; F2-Y27 HydrophobicContact CE1-CE1 4.13Å; F2-Y27 AromaticContact CE2-CD1 3.53Å; F2-Y27 HydrophobicContact CE2-CD1 3.53Å; F2-Y27 HydrophobicContact CE2-CE1 4.1Å; F2-Y27 HydrophobicContact CE2-CG 4.18Å; F2-Y27 AromaticContact CZ-CD1 3.16Å; F2-Y27 HydrophobicContact CZ-CD1 3.16Å; F2-Y27 AromaticContact CZ-CE1 3.31Å; F2-Y27 HydrophobicContact CZ-CE1 3.31Å; F2-Y27 HydrophobicContact CZ-CG 4.2Å; V3-Y27 CarbonylContact O-C 3.49Å; Y4-Y27 AromaticContact CD2-CD1 3.47Å; Y4-Y27 HydrophobicContact CD2-CD1 3.47Å; Y4-Y27 VanDerWaalsContact CD2-CD1 3.47Å; Y4-Y27 AromaticContact CD2-CE1 3.15Å; Y4-Y27 HydrophobicContact CD2-CE1 3.15Å; Y4-Y27 HydrophobicContact CD2-CE2 4.44Å; Y4-Y27 HydrophobicContact CD2-CG 4.22Å; Y4-Y27 AromaticContact CD2-CZ 3.72Å; Y4-Y27 HydrophobicContact CE2-CD1 4.38Å; Y4-Y27 AromaticContact CE2-CE1 3.85Å; Y4-Y27 HydrophobicContact CE2-CE1 3.85Å; Y4-Y27 HydrophobicContact CE2-CE2 4.49Å; Y4-Y27 AromaticContact CE2-CZ 3.92Å; Y4-Y27 HydrophobicContact CG-CD1 4.2Å; Y4-Y27 AromaticContact CG-CE1 3.88Å; Y4-Y27 HydrophobicContact CG-CE1 3.88Å; Y27-R29 PolarHBondContact O-N 2.84Å; Y27-E30 PolarHBondContact N-O 2.98Å; Y27-E30 PolarHBondContact O-N 2.87Å; Y27-Y32 AromaticContact CD2-CD1 3.45Å; Y27-Y32 HydrophobicContact CD2-CD1 3.45Å; Y27-Y32 VanDerWaalsContact CD2-CD1 3.45Å; Y27-Y32 AromaticContact CD2-CE1 3.46Å; Y27-Y32 HydrophobicContact CD2-CE1 3.46Å; Y27-Y32 VanDerWaalsContact CD2-CE1 3.46Å; Y27-Y32 HydrophobicContact CD2-CG 4.09Å; Y27-Y32 AromaticContact CE2-CD1 3.82Å; Y27-Y32 HydrophobicContact CE2-CD1 3.82Å; Y27-Y32 HydrophobicContact CE2-CD2 4.46Å; Y27-Y32 AromaticContact CE2-CE1 3.37Å; Y27-Y32 HydrophobicContact CE2-CE1 3.37Å; Y27-Y32 HydrophobicContact CE2-CE2 4.09Å; Y27-Y32 HydrophobicContact CE2-CG 4.35Å; Y27-Y32 AromaticContact CE2-CZ 3.54Å; Y27-Y32 HydrophobicContact CG-CD1 4.32Å; Y27-Y32 HydrophobicContact CG-CE1 4.3Å |
| 28 | N | 96 | Very high | 97.8 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | -100.2 | -170.2 | -57.3 | -40.8 | 0 | 0 | 0 | 110.7 | F2 V3 | F2-N28 WeakPolarHBondContact CA-OD1 3.46Å; V3-N28 PolarHBondContact N-OD1 3.25Å; V3-N28 PolarHBondContact O-N 2.86Å |
| 29 | R | 95.9 | Very high | 97.9 | Very high | 244 Ų | 244 | 50 Ų | 50 | 92% | 0.921 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | 2.7 | 176 | -62 | -177.2 | 178.4 | -176.8 | -1 | 113.1 | Y27 | Y27-R29 PolarHBondContact O-N 2.84Š|
| 30 | E | 97.6 | Very high | 97.9 | Very high | 110 Ų | 110 | 50.1 Ų | 50.1 | 51% | 0.514 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 111.6 | -176.3 | -171.3 | 172.1 | -170.9 | 0 | 0 | 109.9 | I26 Y27 Y32 T46 | I26-E30 WeakPolarHBondContact CA-O 3.22Å; Y27-E30 PolarHBondContact N-O 2.98Å; Y27-E30 PolarHBondContact O-N 2.87Å; E30-Y32 PolarHBondContact O-N 2.87Å; E30-T46 HydrophobicContact CG-CG2 3.83Å; E30-T46 VanDerWaalsContact OE1-CG2 3.26Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.38Å |
| 31 | E | 98.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 121.5 | 171 | -178.2 | -175.1 | -172.8 | 0 | 0 | 109.2 | R24 H25 I26 R34 V45 T46 | R24-E31 HydrophobicContact CB-CG 4.37Å; R24-E31 VanDerWaalsContact CG-OE1 3.29Å; R24-E31 WeakPolarHBondContact CG-OE1 3.1Å; R24-E31 IonicContact CZ-OE2 3.17Å; R24-E31 IonicContact NE-OE1 3.1Å; R24-E31 PolarHBondContact NE-OE1 3.17Å; R24-E31 VanDerWaalsContact NE-OE1 3.1Å; R24-E31 IonicContact NE-OE2 2.92Å; R24-E31 PolarHBondContact NE-OE2 3.26Å; R24-E31 IonicContact NH2-OE2 2.63Å; R24-E31 PolarHBondContact NH2-OE2 2.85Å; H25-E31 WeakPolarHBondContact O-CA 3.35Å; I26-E31 HydrophobicContact CG1-CB 3.96Å; I26-E31 HydrophobicContact CG1-CG 4.2Å; E31-R34 WeakPolarHBondContact OE1-CB 3Å; E31-R34 IonicContact OE1-CZ 3.7Å; E31-R34 VanDerWaalsContact OE1-CZ 3.31Å; E31-R34 IonicContact OE1-NE 3.16Å; E31-R34 PolarHBondContact OE1-NE 2.83Å; E31-R34 IonicContact OE1-NH2 3.31Å; E31-R34 PolarHBondContact OE1-NH2 3.09Å; E31-R34 VanDerWaalsContact OE1-NH2 3.16Å; E31-R34 IonicContact OE2-CZ 2.64Å; E31-R34 IonicContact OE2-NE 2.72Å; E31-R34 IonicContact OE2-NH2 3.64Å; E31-R34 PolarHBondContact OE2-NH2 2.76Å; E31-V45 HydrophobicContact CG-CB 4.38Å; E31-V45 HydrophobicContact CG-CG2 4.02Å; E31-V45 WeakPolarHBondContact O-CB 3.48Å; E31-V45 WeakPolarHBondContact O-CG1 3.25Å; E31-T46 WeakPolarHBondContact O-CG2 3.41Å |
| 32 | Y | 98.4 | Very high | 98 | Very high | 16 Ų | 16 | 48.8 Ų | 48.8 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -29.7 | -174.9 | 71.6 | -79.8 | 0 | 0 | 0 | 112.8 | Y4 H25 Y27 E30 A44 V45 T46 G49 V52 | Y4-Y32 AromaticContact CE2-CE1 3.93Å; Y4-Y32 HydrophobicContact CE2-CE1 3.93Å; H25-Y32 HydrophobicContact CB-CD1 4.25Å; H25-Y32 HydrophobicContact CB-CE1 3.47Å; H25-Y32 VanDerWaalsContact CB-CE1 3.47Å; H25-Y32 WeakPolarHBondContact O-CD1 3.31Å; H25-Y32 WeakPolarHBondContact O-CE1 3.14Å; H25-Y32 PolarHBondContact O-N 2.94Å; H25-Y32 VanDerWaalsContact O-N 3.07Å; Y27-Y32 AromaticContact CD2-CD1 3.45Å; Y27-Y32 HydrophobicContact CD2-CD1 3.45Å; Y27-Y32 VanDerWaalsContact CD2-CD1 3.45Å; Y27-Y32 AromaticContact CD2-CE1 3.46Å; Y27-Y32 HydrophobicContact CD2-CE1 3.46Å; Y27-Y32 VanDerWaalsContact CD2-CE1 3.46Å; Y27-Y32 HydrophobicContact CD2-CG 4.09Å; Y27-Y32 AromaticContact CE2-CD1 3.82Å; Y27-Y32 HydrophobicContact CE2-CD1 3.82Å; Y27-Y32 HydrophobicContact CE2-CD2 4.46Å; Y27-Y32 AromaticContact CE2-CE1 3.37Å; Y27-Y32 HydrophobicContact CE2-CE1 3.37Å; Y27-Y32 HydrophobicContact CE2-CE2 4.09Å; Y27-Y32 HydrophobicContact CE2-CG 4.35Å; Y27-Y32 AromaticContact CE2-CZ 3.54Å; Y27-Y32 HydrophobicContact CG-CD1 4.32Å; Y27-Y32 HydrophobicContact CG-CE1 4.3Å; E30-Y32 PolarHBondContact O-N 2.87Å; Y32-A44 WeakPolarHBondContact O-CA 3.39Å; Y32-V45 PolarHBondContact O-N 2.88Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.47Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.33Å; Y32-T46 PolarHBondContact O-N 2.83Å; Y32-G49 WeakPolarHBondContact O-CA 3.48Å; Y32-V52 HydrophobicContact CE2-CB 4.23Å; Y32-V52 HydrophobicContact CE2-CG1 4.19Å; Y32-V52 HydrophobicContact CE2-CG2 4.05Å |
| 33 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 146 | 176.8 | 66.8 | 0 | 0 | 0 | 0 | 110.9 | H25 Y42 R43 V52 A53 W56 | H25-V33 HydrophobicContact CB-CG1 3.65Å; H25-V33 PolarHBondContact N-O 3.11Å; V33-Y42 HydrophobicContact CG2-CD1 4.21Å; V33-R43 WeakPolarHBondContact CA-O 3.41Å; V33-R43 WeakPolarHBondContact CG2-O 3.44Å; V33-V52 HydrophobicContact CG1-CG1 4.16Å; V33-A53 HydrophobicContact CG2-CB 3.92Å; V33-W56 HydrophobicContact CG1-CE3 4.42Å; V33-W56 HydrophobicContact CG1-CH2 4.08Å; V33-W56 HydrophobicContact CG1-CZ3 3.58Å; V33-W56 HydrophobicContact CG2-CE3 4.41Å; V33-W56 HydrophobicContact CG2-CZ3 4.29Å |
| 34 | R | 98.5 | Very high | 98 | Very high | 77 Ų | 77 | 56.6 Ų | 56.6 | 29% | 0.291 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.9 | 174.2 | 66.8 | 172.1 | 62.9 | 162.5 | 6.6 | 112.7 | T23 E31 Y42 R43 V45 | T23-R34 CarbonylContact O-C 3.57Å; T23-R34 WeakPolarHBondContact O-CA 3.28Å; T23-R34 WeakPolarHBondContact O-CB 3.47Å; E31-R34 WeakPolarHBondContact OE1-CB 3Å; E31-R34 IonicContact OE1-CZ 3.7Å; E31-R34 VanDerWaalsContact OE1-CZ 3.31Å; E31-R34 IonicContact OE1-NE 3.16Å; E31-R34 PolarHBondContact OE1-NE 2.83Å; E31-R34 IonicContact OE1-NH2 3.31Å; E31-R34 PolarHBondContact OE1-NH2 3.09Å; E31-R34 VanDerWaalsContact OE1-NH2 3.16Å; E31-R34 IonicContact OE2-CZ 2.64Å; E31-R34 IonicContact OE2-NE 2.72Å; E31-R34 IonicContact OE2-NH2 3.64Å; E31-R34 PolarHBondContact OE2-NH2 2.76Å; R34-Y42 CarbonylContact O-C 3.49Å; R34-Y42 VanDerWaalsContact O-CA 3.25Å; R34-Y42 WeakPolarHBondContact O-CA 3.04Å; R34-R43 PolarHBondContact N-O 2.63Å; R34-R43 PolarHBondContact O-N 3.37Å; R34-V45 HydrophobicContact CB-CG2 4.33Å; R34-V45 HydrophobicContact CG-CG2 3.83Å |
| 35 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 139.8 | 159.1 | 176.6 | -92.9 | 0 | 0 | 0 | 108.9 | V22 T23 G40 Y42 L63 A66 R67 | V22-F35 CarbonylContact C-O 3.53Å; V22-F35 WeakPolarHBondContact CA-O 3.11Å; T23-F35 PolarHBondContact N-O 2.84Å; T23-F35 PolarHBondContact O-N 2.84Å; F35-G40 VanDerWaalsContact CE2-C 3.49Å; F35-Y42 HydrophobicContact CB-CD1 3.69Å; F35-Y42 HydrophobicContact CB-CD2 4.48Å; F35-Y42 HydrophobicContact CB-CE1 3.57Å; F35-Y42 HydrophobicContact CB-CE2 4.35Å; F35-Y42 HydrophobicContact CB-CG 4.18Å; F35-Y42 HydrophobicContact CD2-CD2 4.13Å; F35-Y42 HydrophobicContact CD2-CE2 4.12Å; F35-Y42 HydrophobicContact CD2-CG 4.44Å; F35-L63 HydrophobicContact CD2-CD1 4.47Å; F35-L63 HydrophobicContact CE2-CD1 4.04Å; F35-A66 HydrophobicContact CD1-CB 4.08Å; F35-A66 HydrophobicContact CD2-CB 3.77Å; F35-A66 HydrophobicContact CE1-CB 4.1Å; F35-A66 VanDerWaalsContact CE1-O 3.31Å; F35-A66 WeakPolarHBondContact CE1-O 3.43Å; F35-A66 HydrophobicContact CE2-CB 3.79Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.97Å; F35-R67 HydrophobicContact CE2-CG 4.14Å; F35-R67 HydrophobicContact CZ-CB 4.42Å; F35-R67 HydrophobicContact CZ-CG 3.79Å |
| 36 | D | 98.4 | Very high | 98 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 122 | 176.4 | -168 | -28.7 | 0 | 0 | 0 | 108.2 | R20 D38 V39 G40 | R20-D36 IonicContact CZ-OD1 2.66Å; R20-D36 IonicContact CZ-OD2 3.52Å; R20-D36 IonicContact NE-OD1 2.91Å; R20-D36 PolarHBondContact NE-OD1 2.97Å; R20-D36 IonicContact NE-OD2 3.4Å; R20-D36 PolarHBondContact NE-OD2 2.87Å; R20-D36 IonicContact NH2-OD1 3.72Å; R20-D36 IonicContact NH2-OD2 3.41Å; R20-D36 PolarHBondContact NH2-OD2 3.37Å; D36-D38 PolarHBondContact O-N 2.87Å; D36-D38 PolarHBondContact OD1-N 2.84Å; D36-V39 HydrophobicContact CB-CB 4.21Å; D36-V39 HydrophobicContact CB-CG2 4.03Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.42Å; D36-V39 WeakPolarHBondContact O-CB 2.98Å; D36-V39 PolarHBondContact O-N 2.85Å; D36-G40 PolarHBondContact O-N 2.02Å |
| 37 | S | 98 | Very high | 97.9 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.5 | -175.2 | 62 | 0 | 0 | 0 | 0 | 113.1 | R20 G21 V39 G40 V70 | R20-S37 WeakPolarHBondContact CA-OG 3.32Å; G21-S37 PolarHBondContact N-OG 2.85Å; G21-S37 WeakPolarHBondContact O-CB 3.35Å; G21-S37 PolarHBondContact O-N 2.83Å; G21-S37 PolarHBondContact O-OG 2.96Å; S37-V39 PolarHBondContact O-N 2.96Å; S37-G40 PolarHBondContact O-N 2.83Å; S37-V70 VanDerWaalsContact CB-CG2 3.43Å |
| 38 | D | 97.5 | Very high | 97.8 | Very high | 85 Ų | 85 | 61.5 Ų | 61.5 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20 | 177.7 | -73 | 13.2 | 0 | 0 | 0 | 111.3 | R18 D36 | R18-D38 IonicContact NH2-OD2 3Å; R18-D38 PolarHBondContact NH2-OD2 3.15Å; D36-D38 PolarHBondContact O-N 2.87Å; D36-D38 PolarHBondContact OD1-N 2.84Å |
| 39 | V | 97.9 | Very high | 97.9 | Very high | 59 Ų | 59 | 57.9 Ų | 57.9 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -34.8 | 175.9 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | D36 S37 V41 R43 | D36-V39 HydrophobicContact CB-CB 4.21Å; D36-V39 HydrophobicContact CB-CG2 4.03Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.42Å; D36-V39 WeakPolarHBondContact O-CB 2.98Å; D36-V39 PolarHBondContact O-N 2.85Å; S37-V39 PolarHBondContact O-N 2.96Å; V39-V41 VanDerWaalsContact C-N 3.34Å; V39-V41 HydrophobicContact CG1-CG2 3.84Å; V39-V41 PolarHBondContact O-N 3.24Å; V39-R43 HydrophobicContact CG1-CG 4.48Å |
| 40 | G | 97.6 | Very high | 98 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 11.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F35 D36 S37 L63 R67 | F35-G40 VanDerWaalsContact CE2-C 3.49Å; D36-G40 PolarHBondContact O-N 2.02Å; S37-G40 PolarHBondContact O-N 2.83Å; G40-L63 WeakPolarHBondContact O-CD1 3.41Å; G40-R67 VanDerWaalsContact O-CZ 3.3Å; G40-R67 PolarHBondContact O-NE 3.38Å; G40-R67 PolarHBondContact O-NH2 2.96Å |
| 41 | V | 98.3 | Very high | 98 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 160.5 | 174.7 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | V39 N57 L63 | V39-V41 VanDerWaalsContact C-N 3.34Å; V39-V41 HydrophobicContact CG1-CG2 3.84Å; V39-V41 PolarHBondContact O-N 3.24Å; V41-N57 WeakPolarHBondContact CB-OD1 3.48Å; V41-L63 HydrophobicContact CB-CD1 4.4Å; V41-L63 HydrophobicContact CG1-CD1 4.18Å; V41-L63 HydrophobicContact CG1-CD2 4.2Å |
| 42 | Y | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 9% | 0.094 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 137.1 | 170.5 | -71.4 | -91.2 | 0 | 0 | 0 | 110.6 | V33 R34 F35 W56 N57 V62 L63 A66 | V33-Y42 HydrophobicContact CG2-CD1 4.21Å; R34-Y42 CarbonylContact O-C 3.49Å; R34-Y42 VanDerWaalsContact O-CA 3.25Å; R34-Y42 WeakPolarHBondContact O-CA 3.04Å; F35-Y42 HydrophobicContact CB-CD1 3.69Å; F35-Y42 HydrophobicContact CB-CD2 4.48Å; F35-Y42 HydrophobicContact CB-CE1 3.57Å; F35-Y42 HydrophobicContact CB-CE2 4.35Å; F35-Y42 HydrophobicContact CB-CG 4.18Å; F35-Y42 HydrophobicContact CD2-CD2 4.13Å; F35-Y42 HydrophobicContact CD2-CE2 4.12Å; F35-Y42 HydrophobicContact CD2-CG 4.44Å; Y42-W56 AromaticContact CD1-CE3 3.4Å; Y42-W56 HydrophobicContact CD1-CE3 3.4Å; Y42-W56 AromaticContact CD1-CZ3 3.85Å; Y42-W56 HydrophobicContact CD1-CZ3 3.85Å; Y42-W56 HydrophobicContact CD2-CB 3.88Å; Y42-W56 HydrophobicContact CD2-CE3 4.38Å; Y42-W56 HydrophobicContact CE1-CD2 4.42Å; Y42-W56 AromaticContact CE1-CE3 3.39Å; Y42-W56 HydrophobicContact CE1-CE3 3.39Å; Y42-W56 AromaticContact CE1-CZ3 3.67Å; Y42-W56 HydrophobicContact CE1-CZ3 3.67Å; Y42-W56 HydrophobicContact CE2-CB 4.18Å; Y42-W56 HydrophobicContact CE2-CE3 4.42Å; Y42-W56 HydrophobicContact CG-CB 4.23Å; Y42-W56 AromaticContact CG-CE3 3.9Å; Y42-W56 HydrophobicContact CG-CE3 3.9Å; Y42-W56 AromaticContact CZ-CE3 3.95Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.26Å; Y42-N57 PolarHBondContact N-OD1 3.34Å; Y42-N57 PolarHBondContact O-ND2 2.89Å; Y42-V62 HydrophobicContact CE2-CG1 4.09Å; Y42-L63 HydrophobicContact CD2-CD1 4.44Å; Y42-A66 HydrophobicContact CE2-CB 3.93Å |
| 43 | R | 98.5 | Very high | 98 | Very high | 152 Ų | 152 | 52.9 Ų | 52.9 | 57% | 0.574 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.5 | 174.1 | -71.5 | -169.3 | 172.8 | 177 | 3.1 | 110.3 | V33 R34 V39 V45 | V33-R43 WeakPolarHBondContact CA-O 3.41Å; V33-R43 WeakPolarHBondContact CG2-O 3.44Å; R34-R43 PolarHBondContact N-O 2.63Å; R34-R43 PolarHBondContact O-N 3.37Å; V39-R43 HydrophobicContact CG1-CG 4.48Å; R43-V45 PolarHBondContact O-N 2.85Å |
| 44 | A | 98.3 | Very high | 98 | Very high | 36 Ų | 36 | 59.3 Ų | 59.3 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 127.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y32 G49 R50 A53 | Y32-A44 WeakPolarHBondContact O-CA 3.39Å; A44-G49 VanDerWaalsContact CB-C 3.42Å; A44-R50 HydrophobicContact CB-CB 4.34Å; A44-R50 HydrophobicContact CB-CG 3.77Å; A44-A53 HydrophobicContact CB-CB 4.28Å |
| 45 | V | 98.3 | Very high | 98 | Very high | 66 Ų | 66 | 62.3 Ų | 62.3 | 40% | 0.4 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -89.4 | -30.1 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | E31 Y32 R34 R43 | E31-V45 HydrophobicContact CG-CB 4.38Å; E31-V45 HydrophobicContact CG-CG2 4.02Å; E31-V45 WeakPolarHBondContact O-CB 3.48Å; E31-V45 WeakPolarHBondContact O-CG1 3.25Å; Y32-V45 PolarHBondContact O-N 2.88Å; R34-V45 HydrophobicContact CB-CG2 4.33Å; R34-V45 HydrophobicContact CG-CG2 3.83Å; R43-V45 PolarHBondContact O-N 2.85Å |
| 46 | T | 97.9 | Very high | 98 | Very high | 20 Ų | 20 | 64.8 Ų | 64.8 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -126.8 | 162.3 | 176.8 | 68.1 | 0 | 0 | 0 | 0 | 110.4 | E30 E31 Y32 Q48 G49 | E30-T46 HydrophobicContact CG-CG2 3.83Å; E30-T46 VanDerWaalsContact OE1-CG2 3.26Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.38Å; E31-T46 WeakPolarHBondContact O-CG2 3.41Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.47Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.33Å; Y32-T46 PolarHBondContact O-N 2.83Å; T46-Q48 PolarHBondContact O-N 3Å; T46-Q48 PolarHBondContact OG1-OE1 2.9Å; T46-Q48 VanDerWaalsContact OG1-OE1 3.14Å; T46-G49 PolarHBondContact O-N 2.92Å |
| 47 | P | 97.5 | Very high | 98 | Very high | 88 Ų | 88 | 66.4 Ų | 66.4 | 57% | 0.571 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -53.8 | -36.1 | 178.3 | -27.8 | 36.4 | 0 | 0 | 0 | 113.8 | G49 R50 | P47-G49 PolarHBondContact O-N 3Å; P47-R50 WeakPolarHBondContact O-CB 3.49Å; P47-R50 WeakPolarHBondContact O-CG 3.42Å; P47-R50 PolarHBondContact O-N 3.34Å |
| 48 | Q | 94.5 | Very high | 98 | Very high | 122 Ų | 122 | 69 Ų | 69 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -65.2 | -25.8 | -179.4 | -62.2 | 80.3 | -1.6 | 0 | 0 | 112.4 | T46 P51 | T46-Q48 PolarHBondContact O-N 3Å; T46-Q48 PolarHBondContact OG1-OE1 2.9Å; T46-Q48 VanDerWaalsContact OG1-OE1 3.14Å; Q48-P51 WeakPolarHBondContact O-CD 3.33Å |
| 49 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -83.8 | -7.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y32 A44 T46 P47 V52 A53 | Y32-G49 WeakPolarHBondContact O-CA 3.48Å; A44-G49 VanDerWaalsContact CB-C 3.42Å; T46-G49 PolarHBondContact O-N 2.92Å; P47-G49 PolarHBondContact O-N 3Å; G49-V52 PolarHBondContact O-N 2.92Å; G49-A53 WeakPolarHBondContact O-CB 3.24Å; G49-A53 PolarHBondContact O-N 2.99Å |
| 50 | R | 98.4 | Very high | 98 | Very high | 156 Ų | 156 | 72.7 Ų | 72.7 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -55.1 | -54.7 | 177.9 | -67.9 | -177.1 | -174.3 | -162.8 | 3.3 | 113.5 | A44 P47 V52 A53 E54 | A44-R50 HydrophobicContact CB-CB 4.34Å; A44-R50 HydrophobicContact CB-CG 3.77Å; P47-R50 WeakPolarHBondContact O-CB 3.49Å; P47-R50 WeakPolarHBondContact O-CG 3.42Å; P47-R50 PolarHBondContact O-N 3.34Å; R50-V52 PolarHBondContact O-N 3.27Å; R50-A53 PolarHBondContact O-N 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.31Å; R50-E54 PolarHBondContact O-N 3.12Å |
| 51 | P | 98.3 | Very high | 98 | Very high | 80 Ų | 80 | 80.1 Ų | 80.1 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.5 | -34.4 | -179.4 | 23.1 | -34.9 | 0 | 0 | 0 | 112.3 | Q48 Y55 | Q48-P51 WeakPolarHBondContact O-CD 3.33Å; P51-Y55 VanDerWaalsContact O-CB 3.24Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 3.08Å |
| 52 | V | 97.8 | Very high | 97.9 | Very high | 39 Ų | 39 | 80.8 Ų | 80.8 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.3 | -44.2 | 179 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | Y32 V33 G49 R50 Y55 W56 | Y32-V52 HydrophobicContact CE2-CB 4.23Å; Y32-V52 HydrophobicContact CE2-CG1 4.19Å; Y32-V52 HydrophobicContact CE2-CG2 4.05Å; V33-V52 HydrophobicContact CG1-CG1 4.16Å; G49-V52 PolarHBondContact O-N 2.92Å; R50-V52 PolarHBondContact O-N 3.27Å; V52-Y55 PolarHBondContact O-N 2.85Å; V52-W56 HydrophobicContact CG1-CD2 3.71Å; V52-W56 HydrophobicContact CG1-CE3 3.78Å; V52-W56 HydrophobicContact CG1-CG 4.47Å; V52-W56 HydrophobicContact CG1-CH2 3.67Å; V52-W56 HydrophobicContact CG1-CZ2 3.6Å; V52-W56 HydrophobicContact CG1-CZ3 3.78Å; V52-W56 WeakPolarHBondContact O-CB 3.26Å; V52-W56 PolarHBondContact O-N 2.97Å |
| 53 | A | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 80.4 Ų | 80.4 | 5% | 0.05 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V33 A44 G49 R50 N57 | V33-A53 HydrophobicContact CG2-CB 3.92Å; A44-A53 HydrophobicContact CB-CB 4.28Å; G49-A53 WeakPolarHBondContact O-CB 3.24Å; G49-A53 PolarHBondContact O-N 2.99Å; R50-A53 PolarHBondContact O-N 3.3Å; A53-N57 VanDerWaalsContact O-CB 3.24Å; A53-N57 WeakPolarHBondContact O-CB 3.24Å; A53-N57 PolarHBondContact O-N 2.96Å; A53-N57 PolarHBondContact O-ND2 3.15Å |
| 54 | E | 98.4 | Very high | 97.8 | Very high | 135 Ų | 135 | 77.8 Ų | 77.8 | 63% | 0.631 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.9 | -48.2 | 176.4 | -73.1 | 168.1 | -167.4 | 0 | 0 | 111.3 | R50 N57 S58 | R50-E54 WeakPolarHBondContact O-CG 3.31Å; R50-E54 PolarHBondContact O-N 3.12Å; E54-N57 PolarHBondContact O-N 3.01Å; E54-S58 PolarHBondContact O-N 3.27Å |
| 55 | Y | 98.3 | Very high | 97.7 | Very high | 139 Ų | 139 | 77.9 Ų | 77.9 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 177.9 | 179.1 | -108.3 | 0 | 0 | 0 | 112.2 | P51 V52 N57 S58 Q59 | P51-Y55 VanDerWaalsContact O-CB 3.24Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 3.08Å; V52-Y55 PolarHBondContact O-N 2.85Å; Y55-N57 VanDerWaalsContact C-N 3.34Å; Y55-N57 PolarHBondContact O-N 3.49Å; Y55-S58 PolarHBondContact O-N 3.26Å; Y55-S58 PolarHBondContact O-OG 2.92Å; Y55-Q59 HydrophobicContact CE1-CG 4.46Å; Y55-Q59 WeakPolarHBondContact O-CG 3.29Å; Y55-Q59 PolarHBondContact O-N 3.2Å |
| 56 | W | 98.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 20% | 0.197 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.1 | -34.2 | -179.9 | -70.2 | -16.5 | 0 | 0 | 0 | 113.2 | H25 V33 Y42 V52 S58 Q59 V62 | H25-W56 AromaticContact CD2-CH2 3.97Å; H25-W56 AromaticContact CD2-CZ3 3.71Å; H25-W56 AromaticContact CE1-CH2 3.36Å; H25-W56 WeakPolarHBondContact CE1-CH2 3.43Å; H25-W56 AromaticContact CE1-CZ3 3.73Å; H25-W56 AromaticContact CG-CH2 3.92Å; H25-W56 AromaticContact ND1-CH2 3.55Å; H25-W56 AromaticContact NE2-CH2 3.65Å; H25-W56 AromaticContact NE2-CZ3 3.5Å; H25-W56 WeakPolarHBondContact NE2-CZ3 3.38Å; V33-W56 HydrophobicContact CG1-CE3 4.42Å; V33-W56 HydrophobicContact CG1-CH2 4.08Å; V33-W56 HydrophobicContact CG1-CZ3 3.58Å; V33-W56 HydrophobicContact CG2-CE3 4.41Å; V33-W56 HydrophobicContact CG2-CZ3 4.29Å; Y42-W56 AromaticContact CD1-CE3 3.4Å; Y42-W56 HydrophobicContact CD1-CE3 3.4Å; Y42-W56 AromaticContact CD1-CZ3 3.85Å; Y42-W56 HydrophobicContact CD1-CZ3 3.85Å; Y42-W56 HydrophobicContact CD2-CB 3.88Å; Y42-W56 HydrophobicContact CD2-CE3 4.38Å; Y42-W56 HydrophobicContact CE1-CD2 4.42Å; Y42-W56 AromaticContact CE1-CE3 3.39Å; Y42-W56 HydrophobicContact CE1-CE3 3.39Å; Y42-W56 AromaticContact CE1-CZ3 3.67Å; Y42-W56 HydrophobicContact CE1-CZ3 3.67Å; Y42-W56 HydrophobicContact CE2-CB 4.18Å; Y42-W56 HydrophobicContact CE2-CE3 4.42Å; Y42-W56 HydrophobicContact CG-CB 4.23Å; Y42-W56 AromaticContact CG-CE3 3.9Å; Y42-W56 HydrophobicContact CG-CE3 3.9Å; Y42-W56 AromaticContact CZ-CE3 3.95Å; V52-W56 HydrophobicContact CG1-CD2 3.71Å; V52-W56 HydrophobicContact CG1-CE3 3.78Å; V52-W56 HydrophobicContact CG1-CG 4.47Å; V52-W56 HydrophobicContact CG1-CH2 3.67Å; V52-W56 HydrophobicContact CG1-CZ2 3.6Å; V52-W56 HydrophobicContact CG1-CZ3 3.78Å; V52-W56 WeakPolarHBondContact O-CB 3.26Å; V52-W56 PolarHBondContact O-N 2.97Å; W56-S58 VanDerWaalsContact C-N 3.27Å; W56-S58 PolarHBondContact O-N 2.96Å; W56-Q59 PolarHBondContact O-N 2.91Å; W56-V62 HydrophobicContact CB-CG1 4.19Å; W56-V62 HydrophobicContact CG-CG1 4.33Å |
| 57 | N | 98.6 | Very high | 97.6 | Very high | 49 Ų | 49 | 80 Ų | 80 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.1 | -24.2 | 175.1 | -72.3 | -29.8 | 0 | 0 | 0 | 112.8 | V41 Y42 A53 E54 Y55 Q59 | V41-N57 WeakPolarHBondContact CB-OD1 3.48Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.26Å; Y42-N57 PolarHBondContact N-OD1 3.34Å; Y42-N57 PolarHBondContact O-ND2 2.89Å; A53-N57 VanDerWaalsContact O-CB 3.24Å; A53-N57 WeakPolarHBondContact O-CB 3.24Å; A53-N57 PolarHBondContact O-N 2.96Å; A53-N57 PolarHBondContact O-ND2 3.15Å; E54-N57 PolarHBondContact O-N 3.01Å; Y55-N57 VanDerWaalsContact C-N 3.34Å; Y55-N57 PolarHBondContact O-N 3.49Å; N57-Q59 VanDerWaalsContact C-N 3.32Å |
| 58 | S | 98.2 | Very high | 97.6 | Very high | 84 Ų | 84 | 77.1 Ų | 77.1 | 59% | 0.587 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -78.6 | -16.5 | 174.4 | 83.8 | 0 | 0 | 0 | 0 | 113.1 | E54 Y55 W56 | E54-S58 PolarHBondContact O-N 3.27Å; Y55-S58 PolarHBondContact O-N 3.26Å; Y55-S58 PolarHBondContact O-OG 2.92Å; W56-S58 VanDerWaalsContact C-N 3.27Å; W56-S58 PolarHBondContact O-N 2.96Å |
| 59 | Q | 98.3 | Very high | 97.6 | Very high | 76 Ų | 76 | 72.4 Ų | 72.4 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | trans | -91.1 | 101.8 | 178.4 | -59.6 | -57.9 | -43.3 | 0 | 0 | 110.2 | Y55 W56 N57 E61 V62 L63 | Y55-Q59 HydrophobicContact CE1-CG 4.46Å; Y55-Q59 WeakPolarHBondContact O-CG 3.29Å; Y55-Q59 PolarHBondContact O-N 3.2Å; W56-Q59 PolarHBondContact O-N 2.91Å; N57-Q59 VanDerWaalsContact C-N 3.32Å; Q59-E61 VanDerWaalsContact C-N 3.34Å; Q59-E61 PolarHBondContact O-N 3.18Å; Q59-V62 HydrophobicContact CB-CB 3.86Å; Q59-V62 HydrophobicContact CB-CG2 3.62Å; Q59-V62 HydrophobicContact CG-CG2 4.35Å; Q59-V62 PolarHBondContact O-N 3.28Å; Q59-V62 VanDerWaalsContact O-N 3.15Å; Q59-L63 PolarHBondContact O-N 3.43Å; Q59-L63 VanDerWaalsContact O-N 3.09Å | ||
| 60 | K | 97.3 | Very high | 97.5 | Very high | 145 Ų | 145 | 73.2 Ų | 73.2 | 63% | 0.63 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -52.9 | -48.4 | -176 | -176.3 | 179.6 | 174.4 | -176.2 | 0 | 112.8 | V62 L63 E64 | K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 2.66Å; K60-L63 PolarHBondContact O-N 2.72Å; K60-E64 VanDerWaalsContact CE-CD 3.47Å; K60-E64 WeakPolarHBondContact CE-OE1 3.47Å; K60-E64 HydrophobicContact CG-CG 4.31Å; K60-E64 IonicContact NZ-OE1 3.82Å; K60-E64 WeakPolarHBondContact O-CB 3.32Å; K60-E64 WeakPolarHBondContact O-CG 3.32Å; K60-E64 PolarHBondContact O-N 3Å |
| 61 | E | 97.2 | Very high | 97.4 | Very high | 169 Ų | 169 | 70.2 Ų | 70.2 | 79% | 0.79 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.8 | -37.8 | -177.8 | -63.5 | -178 | 178.3 | 0 | 0 | 112.5 | Q59 G65 | Q59-E61 VanDerWaalsContact C-N 3.34Å; Q59-E61 PolarHBondContact O-N 3.18Å; E61-G65 PolarHBondContact O-N 3.14Å |
| 62 | V | 97.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 75.6 Ų | 75.6 | 35% | 0.352 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65 | -47.3 | 177.5 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | Y42 W56 Q59 K60 G65 A66 | Y42-V62 HydrophobicContact CE2-CG1 4.09Å; W56-V62 HydrophobicContact CB-CG1 4.19Å; W56-V62 HydrophobicContact CG-CG1 4.33Å; Q59-V62 HydrophobicContact CB-CB 3.86Å; Q59-V62 HydrophobicContact CB-CG2 3.62Å; Q59-V62 HydrophobicContact CG-CG2 4.35Å; Q59-V62 PolarHBondContact O-N 3.28Å; Q59-V62 VanDerWaalsContact O-N 3.15Å; K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 2.66Å; V62-G65 PolarHBondContact O-N 3.47Å; V62-A66 WeakPolarHBondContact O-CB 3.4Å; V62-A66 PolarHBondContact O-N 2.83Å |
| 63 | L | 97.4 | Very high | 97.2 | Very high | 17 Ų | 17 | 77 Ų | 77 | 9% | 0.089 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.7 | -41.2 | -177.9 | -176.1 | 57.5 | 0 | 0 | 0 | 112.4 | F35 G40 V41 Y42 Q59 K60 A66 R67 | F35-L63 HydrophobicContact CD2-CD1 4.47Å; F35-L63 HydrophobicContact CE2-CD1 4.04Å; G40-L63 WeakPolarHBondContact O-CD1 3.41Å; V41-L63 HydrophobicContact CB-CD1 4.4Å; V41-L63 HydrophobicContact CG1-CD1 4.18Å; V41-L63 HydrophobicContact CG1-CD2 4.2Å; Y42-L63 HydrophobicContact CD2-CD1 4.44Å; Q59-L63 PolarHBondContact O-N 3.43Å; Q59-L63 VanDerWaalsContact O-N 3.09Å; K60-L63 PolarHBondContact O-N 2.72Å; L63-A66 PolarHBondContact O-N 2.83Å; L63-R67 VanDerWaalsContact O-CG 3.29Å; L63-R67 WeakPolarHBondContact O-CG 3.44Å; L63-R67 PolarHBondContact O-N 2.9Å |
| 64 | E | 97.3 | Very high | 97.1 | Very high | 96 Ų | 96 | 76.8 Ų | 76.8 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 174.4 | -73.1 | 180 | 167.5 | 0 | 0 | 111.6 | K60 R67 A68 | K60-E64 VanDerWaalsContact CE-CD 3.47Å; K60-E64 WeakPolarHBondContact CE-OE1 3.47Å; K60-E64 HydrophobicContact CG-CG 4.31Å; K60-E64 IonicContact NZ-OE1 3.82Å; K60-E64 WeakPolarHBondContact O-CB 3.32Å; K60-E64 WeakPolarHBondContact O-CG 3.32Å; K60-E64 PolarHBondContact O-N 3Å; E64-R67 PolarHBondContact O-N 2.99Å; E64-A68 WeakPolarHBondContact O-CB 3.32Å; E64-A68 PolarHBondContact O-N 2.73Å |
| 65 | G | 96.9 | Very high | 97 | Very high | 39 Ų | 39 | 73.5 Ų | 73.5 | 40% | 0.402 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E61 V62 A68 S69 | E61-G65 PolarHBondContact O-N 3.14Å; V62-G65 PolarHBondContact O-N 3.47Å; G65-A68 PolarHBondContact O-N 2.64Å; G65-S69 PolarHBondContact O-N 3.43Å |
| 66 | A | 96.4 | Very high | 96.9 | Very high | 10 Ų | 10 | 71.7 Ų | 71.7 | 8% | 0.083 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F35 Y42 V62 L63 S69 | F35-A66 HydrophobicContact CD1-CB 4.08Å; F35-A66 HydrophobicContact CD2-CB 3.77Å; F35-A66 HydrophobicContact CE1-CB 4.1Å; F35-A66 VanDerWaalsContact CE1-O 3.31Å; F35-A66 WeakPolarHBondContact CE1-O 3.43Å; F35-A66 HydrophobicContact CE2-CB 3.79Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.97Å; Y42-A66 HydrophobicContact CE2-CB 3.93Å; V62-A66 WeakPolarHBondContact O-CB 3.4Å; V62-A66 PolarHBondContact O-N 2.83Å; L63-A66 PolarHBondContact O-N 2.83Å; A66-S69 WeakPolarHBondContact O-CB 3.25Å; A66-S69 PolarHBondContact O-N 2.72Å; A66-S69 PolarHBondContact O-OG 3.14Å |
| 67 | R | 97.4 | Very high | 96.7 | Very high | 119 Ų | 119 | 73.1 Ų | 73.1 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.5 | -71.3 | 165.7 | 179 | 173.6 | -2 | 112 | F35 G40 L63 E64 S69 | F35-R67 HydrophobicContact CE2-CG 4.14Å; F35-R67 HydrophobicContact CZ-CB 4.42Å; F35-R67 HydrophobicContact CZ-CG 3.79Å; G40-R67 VanDerWaalsContact O-CZ 3.3Å; G40-R67 PolarHBondContact O-NE 3.38Å; G40-R67 PolarHBondContact O-NH2 2.96Å; L63-R67 VanDerWaalsContact O-CG 3.29Å; L63-R67 WeakPolarHBondContact O-CG 3.44Å; L63-R67 PolarHBondContact O-N 2.9Å; E64-R67 PolarHBondContact O-N 2.99Å; R67-S69 PolarHBondContact O-N 3.16Å |
| 68 | A | 96.8 | Very high | 96.6 | Very high | 28 Ų | 28 | 72.8 Ų | 72.8 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.7 | -12.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E64 G65 V70 D71 R72 | E64-A68 WeakPolarHBondContact O-CB 3.32Å; E64-A68 PolarHBondContact O-N 2.73Å; G65-A68 PolarHBondContact O-N 2.64Å; A68-V70 PolarHBondContact O-N 3.18Å; A68-D71 PolarHBondContact O-N 2.64Å; A68-R72 WeakPolarHBondContact O-CB 3.43Å; A68-R72 PolarHBondContact O-N 2.83Å |
| 69 | S | 94.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 74.8 Ų | 74.8 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.6 | -24.8 | -178.3 | 82.7 | 0 | 0 | 0 | 0 | 112.8 | G65 A66 R67 D71 V73 C74 | G65-S69 PolarHBondContact O-N 3.43Å; A66-S69 WeakPolarHBondContact O-CB 3.25Å; A66-S69 PolarHBondContact O-N 2.72Å; A66-S69 PolarHBondContact O-OG 3.14Å; R67-S69 PolarHBondContact O-N 3.16Å; S69-D71 VanDerWaalsContact C-N 3.34Å; S69-D71 PolarHBondContact O-N 3.04Å; S69-V73 WeakPolarHBondContact O-CA 3.04Å; S69-V73 VanDerWaalsContact O-CB 3.23Å; S69-V73 WeakPolarHBondContact O-CB 3.48Å; S69-V73 PolarHBondContact O-N 2.74Å; S69-C74 PolarHBondContact O-N 2.95Å; S69-C74 VanDerWaalsContact O-N 3.1Å |
| 70 | V | 95.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 76 Ų | 76 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -57.4 | -49.6 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | V19 S37 A68 C74 R75 | V19-V70 HydrophobicContact CB-CG1 3.95Å; V19-V70 HydrophobicContact CG1-CG1 3.92Å; S37-V70 VanDerWaalsContact CB-CG2 3.43Å; A68-V70 PolarHBondContact O-N 3.18Å; V70-C74 WeakPolarHBondContact O-CA 3.43Å; V70-C74 WeakPolarHBondContact O-CB 3.43Å; V70-C74 PolarHBondContact O-N 3.22Å; V70-R75 PolarHBondContact O-N 3.29Å |
| 71 | D | 95.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 70.3 Ų | 70.3 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -82 | -47.7 | -178.2 | -59.2 | -36.8 | 0 | 0 | 0 | 111.3 | A68 S69 V73 R75 H76 | A68-D71 PolarHBondContact O-N 2.64Å; S69-D71 VanDerWaalsContact C-N 3.34Å; S69-D71 PolarHBondContact O-N 3.04Å; D71-V73 PolarHBondContact O-N 3.4Å; D71-R75 WeakPolarHBondContact OD1-CD 3.14Å; D71-R75 IonicContact OD1-CZ 3.97Å; D71-R75 IonicContact OD1-NE 2.8Å; D71-R75 PolarHBondContact OD1-NE 3.07Å; D71-H76 PolarHBondContact O-N 3.44Å |
| 72 | R | 95.4 | Very high | 95.6 | Very high | 192 Ų | 192 | 67.1 Ų | 67.1 | 73% | 0.725 | 34% | 0.339 | S | S | * | . | I | π-helix | trans | -70.9 | -28.8 | -173.5 | -68.2 | -175.1 | 175.1 | 172.3 | -0.3 | 114.2 | A68 H76 | A68-R72 WeakPolarHBondContact O-CB 3.43Å; A68-R72 PolarHBondContact O-N 2.83Å; R72-H76 VanDerWaalsContact O-CB 3.31Å; R72-H76 WeakPolarHBondContact O-CB 3.45Å |
| 73 | V | 96 | Very high | 94.8 | Very high | 68 Ų | 68 | 74.9 Ų | 74.9 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -111.3 | -58.3 | -177.9 | -176.2 | 0 | 0 | 0 | 0 | 110 | S69 D71 N77 | S69-V73 WeakPolarHBondContact O-CA 3.04Å; S69-V73 VanDerWaalsContact O-CB 3.23Å; S69-V73 WeakPolarHBondContact O-CB 3.48Å; S69-V73 PolarHBondContact O-N 2.74Å; D71-V73 PolarHBondContact O-N 3.4Å; V73-N77 WeakPolarHBondContact CG1-ND2 3.4Å; V73-N77 WeakPolarHBondContact O-CB 3.41Å; V73-N77 PolarHBondContact O-N 2.92Å; V73-N77 PolarHBondContact O-ND2 3.4Å; V73-N77 VanDerWaalsContact O-ND2 3.16Å |
| 74 | C | 97.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.02 | 38% | 0.381 | C | S | . | . | I | π-helix | trans | -68.5 | -54.5 | -171.5 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | C10 F12 V19 S69 V70 Y78 | C10-C74 HydrophobicContact CB-CB 3.52Å; C10-C74 WeakPolarHBondContact CB-SG 3.37Å; C10-C74 WeakPolarHBondContact SG-CA 3.34Å; C10-C74 WeakPolarHBondContact SG-CB 3.43Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.47Å; F12-C74 HydrophobicContact CE1-CB 4.23Å; F12-C74 HydrophobicContact CZ-CB 4.02Å; F12-C74 WeakPolarHBondContact CZ-O 3.44Å; V19-C74 HydrophobicContact CG1-CB 3.55Å; S69-C74 PolarHBondContact O-N 2.95Å; S69-C74 VanDerWaalsContact O-N 3.1Å; V70-C74 WeakPolarHBondContact O-CA 3.43Å; V70-C74 WeakPolarHBondContact O-CB 3.43Å; V70-C74 PolarHBondContact O-N 3.22Å; C74-Y78 VanDerWaalsContact O-CB 3.31Å; C74-Y78 WeakPolarHBondContact O-CB 3.32Å; C74-Y78 PolarHBondContact O-N 3.1Å |
| 75 | R | 96.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 75.1 Ų | 75.1 | 25% | 0.249 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -65.2 | -47.5 | -179.9 | -64.8 | -179 | -174.1 | -76.3 | -7.4 | 111.8 | T16 V19 V70 D71 N77 Y78 E79 | T16-R75 PolarHBondContact O-NH1 3.12Å; T16-R75 PolarHBondContact O-NH2 2.83Å; V19-R75 HydrophobicContact CG2-CG 4.15Å; V70-R75 PolarHBondContact O-N 3.29Å; D71-R75 WeakPolarHBondContact OD1-CD 3.14Å; D71-R75 IonicContact OD1-CZ 3.97Å; D71-R75 IonicContact OD1-NE 2.8Å; D71-R75 PolarHBondContact OD1-NE 3.07Å; R75-N77 PolarHBondContact O-N 3.27Å; R75-Y78 WeakPolarHBondContact O-CB 3.19Å; R75-Y78 PolarHBondContact O-N 2.94Å; R75-Y78 VanDerWaalsContact O-N 3.16Å; R75-E79 WeakPolarHBondContact O-CG 3.29Å; R75-E79 PolarHBondContact O-N 2.84Å |
| 76 | H | 95.3 | Very high | 93.5 | Very high | 100 Ų | 100 | 76.4 Ų | 76.4 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.1 | -51.9 | 176.9 | 179.1 | 68.9 | 0 | 0 | 0 | 112.3 | D71 R72 Y78 E79 V80 | D71-H76 PolarHBondContact O-N 3.44Å; R72-H76 VanDerWaalsContact O-CB 3.31Å; R72-H76 WeakPolarHBondContact O-CB 3.45Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 3.27Å; H76-E79 PolarHBondContact O-N 2.93Å; H76-V80 WeakPolarHBondContact O-CG2 3.35Å; H76-V80 PolarHBondContact O-N 3Å; H76-V80 VanDerWaalsContact O-N 3.09Å |
| 77 | N | 95.6 | Very high | 93.2 | Very high | 83 Ų | 83 | 80.3 Ų | 80.3 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.7 | -31.4 | -179.7 | -70.4 | -26 | 0 | 0 | 0 | 112.4 | V73 R75 V80 A81 | V73-N77 WeakPolarHBondContact CG1-ND2 3.4Å; V73-N77 WeakPolarHBondContact O-CB 3.41Å; V73-N77 PolarHBondContact O-N 2.92Å; V73-N77 PolarHBondContact O-ND2 3.4Å; V73-N77 VanDerWaalsContact O-ND2 3.16Å; R75-N77 PolarHBondContact O-N 3.27Å; N77-V80 PolarHBondContact O-N 2.69Å; N77-A81 WeakPolarHBondContact O-CB 3.43Å; N77-A81 PolarHBondContact O-N 2.94Å |
| 78 | Y | 95.9 | Very high | 93.1 | Very high | 42 Ų | 42 | 79.7 Ų | 79.7 | 17% | 0.165 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 172.4 | -176.9 | -78.9 | 0 | 0 | 0 | 111 | F12 G15 T16 C74 R75 H76 V80 A81 Y82 L86 | F12-Y78 HydrophobicContact CB-CD2 4.37Å; F12-Y78 HydrophobicContact CB-CE2 4.19Å; F12-Y78 AromaticContact CD1-CD2 3.37Å; F12-Y78 HydrophobicContact CD1-CD2 3.37Å; F12-Y78 AromaticContact CD1-CE2 3.95Å; F12-Y78 HydrophobicContact CD1-CE2 3.95Å; F12-Y78 HydrophobicContact CD1-CG 4.07Å; F12-Y78 AromaticContact CD2-CD2 3.99Å; F12-Y78 HydrophobicContact CD2-CD2 3.99Å; F12-Y78 HydrophobicContact CD2-CE2 4.49Å; F12-Y78 AromaticContact CE1-CD2 3.5Å; F12-Y78 HydrophobicContact CE1-CD2 3.5Å; F12-Y78 VanDerWaalsContact CE1-CD2 3.5Å; F12-Y78 HydrophobicContact CE1-CE2 4.49Å; F12-Y78 AromaticContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE2-CD2 4.09Å; F12-Y78 AromaticContact CG-CD2 3.64Å; F12-Y78 HydrophobicContact CG-CD2 3.64Å; F12-Y78 AromaticContact CG-CE2 3.95Å; F12-Y78 HydrophobicContact CG-CE2 3.95Å; F12-Y78 AromaticContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CD2 3.85Å; F12-Y78 HydrophobicContact CZ-CG 4.3Å; G15-Y78 WeakPolarHBondContact CA-OH 3.45Å; T16-Y78 HydrophobicContact CG2-CD1 3.34Å; T16-Y78 HydrophobicContact CG2-CD2 4.29Å; T16-Y78 HydrophobicContact CG2-CE1 3.65Å; T16-Y78 HydrophobicContact CG2-CG 3.72Å; C74-Y78 VanDerWaalsContact O-CB 3.31Å; C74-Y78 WeakPolarHBondContact O-CB 3.32Å; C74-Y78 PolarHBondContact O-N 3.1Å; R75-Y78 WeakPolarHBondContact O-CB 3.19Å; R75-Y78 PolarHBondContact O-N 2.94Å; R75-Y78 VanDerWaalsContact O-N 3.16Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 3.27Å; Y78-V80 PolarHBondContact O-N 2.91Å; Y78-A81 CarbonylContact O-C 3.54Å; Y78-A81 PolarHBondContact O-N 2.97Å; Y78-Y82 AromaticContact CE1-CD2 3.68Å; Y78-Y82 HydrophobicContact CE1-CD2 3.68Å; Y78-Y82 HydrophobicContact CE1-CE2 4.35Å; Y78-Y82 HydrophobicContact CE1-CG 4.49Å; Y78-Y82 WeakPolarHBondContact O-CA 3.4Å; Y78-Y82 WeakPolarHBondContact O-CB 3.43Å; Y78-Y82 PolarHBondContact O-N 2.95Å; Y78-L86 HydrophobicContact CD1-CD1 4.19Å; Y78-L86 HydrophobicContact CD2-CD1 3.6Å; Y78-L86 HydrophobicContact CE1-CD1 3.86Å; Y78-L86 HydrophobicContact CE2-CD1 3.24Å; Y78-L86 HydrophobicContact CG-CD1 4.06Å |
| 79 | E | 93.3 | Very high | 93.1 | Very high | 126 Ų | 126 | 84 Ų | 84 | 59% | 0.589 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 179 | -71.2 | 171.6 | -174 | 0 | 0 | 111.8 | R75 H76 Y82 | R75-E79 WeakPolarHBondContact O-CG 3.29Å; R75-E79 PolarHBondContact O-N 2.84Å; H76-E79 PolarHBondContact O-N 2.93Å; E79-Y82 WeakPolarHBondContact O-CB 3.49Å; E79-Y82 PolarHBondContact O-N 2.79Å |
| 80 | V | 93.2 | Very high | 93.3 | Very high | 101 Ų | 101 | 84.7 Ų | 84.7 | 61% | 0.612 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 175 | 175 | 0 | 0 | 0 | 0 | 111 | H76 N77 Y78 Y82 | H76-V80 WeakPolarHBondContact O-CG2 3.35Å; H76-V80 PolarHBondContact O-N 3Å; H76-V80 VanDerWaalsContact O-N 3.09Å; N77-V80 PolarHBondContact O-N 2.69Å; Y78-V80 PolarHBondContact O-N 2.91Å; V80-Y82 VanDerWaalsContact C-N 3.3Å; V80-Y82 PolarHBondContact O-N 2.9Å |
| 81 | A | 92.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 89.3 Ų | 89.3 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -75.2 | -16.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N77 Y78 R83 G84 I85 L86 | N77-A81 WeakPolarHBondContact O-CB 3.43Å; N77-A81 PolarHBondContact O-N 2.94Å; Y78-A81 CarbonylContact O-C 3.54Å; Y78-A81 PolarHBondContact O-N 2.97Å; A81-R83 PolarHBondContact O-N 2.82Å; A81-G84 PolarHBondContact O-N 2.87Å; A81-I85 HydrophobicContact CB-CB 4.36Å; A81-I85 HydrophobicContact CB-CD1 4.2Å; A81-I85 PolarHBondContact O-N 3.2Å; A81-L86 PolarHBondContact O-N 2.88Å |
| 82 | Y | 90.3 | Very high | 93.5 | Very high | 102 Ų | 102 | 85.3 Ų | 85.3 | 40% | 0.4 | 40% | 0.401 | S | S | . | . | I | π-helix | trans | -59 | -54.5 | -168.9 | -175.8 | -105 | 0 | 0 | 0 | 112.3 | Y78 E79 V80 G84 L86 Q87 | Y78-Y82 AromaticContact CE1-CD2 3.68Å; Y78-Y82 HydrophobicContact CE1-CD2 3.68Å; Y78-Y82 HydrophobicContact CE1-CE2 4.35Å; Y78-Y82 HydrophobicContact CE1-CG 4.49Å; Y78-Y82 WeakPolarHBondContact O-CA 3.4Å; Y78-Y82 WeakPolarHBondContact O-CB 3.43Å; Y78-Y82 PolarHBondContact O-N 2.95Å; E79-Y82 WeakPolarHBondContact O-CB 3.49Å; E79-Y82 PolarHBondContact O-N 2.79Å; V80-Y82 VanDerWaalsContact C-N 3.3Å; V80-Y82 PolarHBondContact O-N 2.9Å; Y82-G84 VanDerWaalsContact C-N 3.28Å; Y82-G84 PolarHBondContact O-N 3.22Å; Y82-L86 HydrophobicContact CD2-CB 4.39Å; Y82-L86 HydrophobicContact CD2-CD1 4.13Å; Y82-Q87 HydrophobicContact CD1-CG 4.45Å; Y82-Q87 HydrophobicContact CE1-CG 4.18Å; Y82-Q87 WeakPolarHBondContact O-CB 3.49Å; Y82-Q87 VanDerWaalsContact O-CG 3.31Å; Y82-Q87 WeakPolarHBondContact O-CG 3.41Å; Y82-Q87 PolarHBondContact O-N 3.28Å; Y82-Q87 PolarHBondContact OH-NE2 2.89Å |
| 83 | R | 81.3 | Confident | 93.7 | Very high | 220 Ų | 220 | 79.8 Ų | 79.8 | 83% | 0.83 | 39% | 0.389 | S | S | * | . | I | π-helix | trans | -68.7 | -27.2 | -178.6 | -66.1 | -174.6 | -179.2 | -178.2 | 0.9 | 113.1 | A81 | A81-R83 PolarHBondContact O-N 2.82Å |
| 84 | G | 85.3 | Confident | 93.8 | Very high | 48 Ų | 48 | 77.5 Ų | 77.5 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | I | π-helix | trans | -92.9 | -67.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | A81 Y82 R88 | A81-G84 PolarHBondContact O-N 2.87Å; Y82-G84 VanDerWaalsContact C-N 3.28Å; Y82-G84 PolarHBondContact O-N 3.22Å; G84-R88 VanDerWaalsContact O-CB 3.32Å; G84-R88 WeakPolarHBondContact O-CB 3.37Å; G84-R88 PolarHBondContact O-N 2.99Å |
| 85 | I | 87.6 | Confident | 93.8 | Very high | 71 Ų | 71 | 80.9 Ų | 80.9 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | I | π-helix | trans | -87.5 | -45.4 | -167.9 | -60.5 | 174.9 | 0 | 0 | 0 | 111.6 | A81 R88 Y118 W148 | A81-I85 HydrophobicContact CB-CB 4.36Å; A81-I85 HydrophobicContact CB-CD1 4.2Å; A81-I85 PolarHBondContact O-N 3.2Å; I85-R88 WeakPolarHBondContact O-CB 3.48Å; I85-R88 PolarHBondContact O-N 2.86Å; I85-Y118 PolarHBondContact O-OH 2.92Å; I85-W148 HydrophobicContact CD1-CH2 4.1Å; I85-W148 HydrophobicContact CG2-CE3 4.44Å; I85-W148 HydrophobicContact CG2-CH2 4.06Å; I85-W148 HydrophobicContact CG2-CZ3 3.55Å |
| 86 | L | 89.9 | Confident | 93.9 | Very high | 66 Ų | 66 | 79 Ų | 79 | 35% | 0.346 | 39% | 0.39 | S | S | . | . | I | π-helix | trans | -76.8 | -35.2 | -172 | -58.7 | -179.2 | 0 | 0 | 0 | 112.1 | Y78 A81 Y82 R89 | Y78-L86 HydrophobicContact CD1-CD1 4.19Å; Y78-L86 HydrophobicContact CD2-CD1 3.6Å; Y78-L86 HydrophobicContact CE1-CD1 3.86Å; Y78-L86 HydrophobicContact CE2-CD1 3.24Å; Y78-L86 HydrophobicContact CG-CD1 4.06Å; A81-L86 PolarHBondContact O-N 2.88Å; Y82-L86 HydrophobicContact CD2-CB 4.39Å; Y82-L86 HydrophobicContact CD2-CD1 4.13Å; L86-R89 PolarHBondContact O-NH1 3.41Å |
| 87 | Q | 92.1 | Very high | 93.8 | Very high | 91 Ų | 91 | 76.6 Ų | 76.6 | 43% | 0.425 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -87.6 | -2.5 | 173.8 | -69.4 | -173.5 | -39.4 | 0 | 0 | 113.6 | Y82 R89 | Y82-Q87 HydrophobicContact CD1-CG 4.45Å; Y82-Q87 HydrophobicContact CE1-CG 4.18Å; Y82-Q87 WeakPolarHBondContact O-CB 3.49Å; Y82-Q87 VanDerWaalsContact O-CG 3.31Å; Y82-Q87 WeakPolarHBondContact O-CG 3.41Å; Y82-Q87 PolarHBondContact O-N 3.28Å; Y82-Q87 PolarHBondContact OH-NE2 2.89Å; Q87-R89 PolarHBondContact O-N 2.78Å |
| 88 | R | 94.9 | Very high | 93.6 | Very high | 107 Ų | 107 | 74.9 Ų | 74.9 | 40% | 0.404 | 38% | 0.378 | S | S | . | . | trans | -56.6 | 130.4 | 175.9 | -175.5 | 175 | 176.2 | 83.5 | -1.7 | 109.9 | G84 I85 V90 Y118 | G84-R88 VanDerWaalsContact O-CB 3.32Å; G84-R88 WeakPolarHBondContact O-CB 3.37Å; G84-R88 PolarHBondContact O-N 2.99Å; I85-R88 WeakPolarHBondContact O-CB 3.48Å; I85-R88 PolarHBondContact O-N 2.86Å; R88-V90 HydrophobicContact CG-CG2 4.23Å; R88-Y118 HydrophobicContact CB-CD1 3.8Å; R88-Y118 HydrophobicContact CB-CE1 3.72Å; R88-Y118 HydrophobicContact CG-CD1 3.75Å; R88-Y118 HydrophobicContact CG-CE1 4.13Å; R88-Y118 HydrophobicContact CG-CG 4.47Å; R88-Y118 WeakPolarHBondContact O-CD1 3.31Å | ||
| 89 | R | 96.7 | Very high | 93 | Very high | 117 Ų | 117 | 74.5 Ų | 74.5 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | trans | -133.3 | 129.3 | 173.3 | -65.2 | -58.9 | 177.9 | -91.2 | -1.8 | 107.8 | L86 Q87 Y118 | L86-R89 PolarHBondContact O-NH1 3.41Å; Q87-R89 PolarHBondContact O-N 2.78Å; R89-Y118 CarbonylContact C-O 3.58Å; R89-Y118 WeakPolarHBondContact CA-O 3.14Å | ||
| 90 | V | 97.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 78.6 Ų | 78.6 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -130.8 | 124.4 | 173.8 | -172.6 | 0 | 0 | 0 | 0 | 106.7 | R88 D116 F117 Y118 H172 S174 | R88-V90 HydrophobicContact CG-CG2 4.23Å; V90-D116 WeakPolarHBondContact CG1-O 3.41Å; V90-F117 WeakPolarHBondContact O-CA 3.4Å; V90-Y118 PolarHBondContact N-O 3.36Å; V90-Y118 PolarHBondContact O-N 3.26Å; V90-Y118 VanDerWaalsContact O-N 3.14Å; V90-H172 PolarHBondContact O-CE1 3.23Å; V90-H172 VanDerWaalsContact O-CE1 3.28Å; V90-S174 PolarHBondContact O-OG 3.45Å |
| 91 | E | 98.4 | Very high | 90.1 | Very high | 115 Ų | 115 | 76.9 Ų | 76.9 | 54% | 0.537 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 140.3 | -179.2 | -63.2 | -174.9 | 167.8 | 0 | 0 | 111.4 | S174 L175 | E91-S174 VanDerWaalsContact CA-OG 3.25Å; E91-S174 WeakPolarHBondContact CA-OG 3.31Å; E91-S174 WeakPolarHBondContact CG-OG 3.42Å; E91-L175 HydrophobicContact CB-CD2 3.99Å; E91-L175 HydrophobicContact CG-CD2 3.73Å |
| 92 | P | 98.6 | Very high | 88.3 | Confident | 8 Ų | 8 | 85.2 Ų | 85.2 | 5% | 0.052 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 146.4 | 175.1 | 24.7 | -29.4 | 0 | 0 | 0 | 111.9 | V94 V114 T115 F117 V170 H172 L175 I179 | P92-V94 HydrophobicContact CB-CG2 4.35Å; P92-V94 HydrophobicContact CG-CG2 4.5Å; P92-V114 HydrophobicContact CB-CG1 3.5Å; P92-V114 HydrophobicContact CG-CG1 4.32Å; P92-T115 VanDerWaalsContact CA-O 3.31Å; P92-T115 WeakPolarHBondContact CA-O 3.41Å; P92-F117 HydrophobicContact CB-CB 3.76Å; P92-F117 HydrophobicContact CB-CD1 4.15Å; P92-F117 HydrophobicContact CB-CG 4.26Å; P92-F117 HydrophobicContact CG-CB 4.41Å; P92-V170 HydrophobicContact CG-CG1 4.01Å; P92-H172 HydrophobicContact CG-CB 4.31Å; P92-L175 HydrophobicContact CG-CD1 4.19Å; P92-I179 HydrophobicContact CG-CD1 4.19Å |
| 93 | T | 98.5 | Very high | 86.8 | Confident | 77 Ų | 77 | 84.9 Ų | 84.9 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.8 | 157.4 | -58.4 | 0 | 0 | 0 | 0 | 108.5 | V114 T115 | T93-V114 WeakPolarHBondContact O-CA 3.35Å; T93-T115 PolarHBondContact N-O 2.97Å; T93-T115 PolarHBondContact O-N 3.32Å |
| 94 | V | 98.6 | Very high | 85.4 | Confident | 20 Ų | 20 | 78.7 Ų | 78.7 | 12% | 0.121 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.7 | -178.1 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | P92 S113 V114 V170 I179 V181 | P92-V94 HydrophobicContact CB-CG2 4.35Å; P92-V94 HydrophobicContact CG-CG2 4.5Å; V94-S113 WeakPolarHBondContact CA-O 3.33Å; V94-V114 HydrophobicContact CG1-CG2 4.48Å; V94-V114 HydrophobicContact CG2-CG1 4.31Å; V94-V170 HydrophobicContact CG1-CG2 4.02Å; V94-V170 HydrophobicContact CG2-CB 4.14Å; V94-V170 HydrophobicContact CG2-CG1 4.39Å; V94-V170 HydrophobicContact CG2-CG2 3.76Å; V94-I179 HydrophobicContact CB-CG2 4.01Å; V94-I179 HydrophobicContact CG2-CB 4.29Å; V94-I179 HydrophobicContact CG2-CD1 4.17Å; V94-I179 HydrophobicContact CG2-CG2 3.81Å; V94-V181 HydrophobicContact CB-CG2 3.84Å; V94-V181 HydrophobicContact CG1-CB 4.24Å; V94-V181 HydrophobicContact CG1-CG2 3.63Å |
| 95 | T | 98.2 | Very high | 83.9 | Confident | 73 Ų | 73 | 84.5 Ų | 84.5 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.7 | 173.6 | 57 | 0 | 0 | 0 | 0 | 110.3 | C112 S113 | T95-C112 WeakPolarHBondContact O-CA 3.32Å; T95-S113 PolarHBondContact N-O 2.79Å; T95-S113 PolarHBondContact O-N 3.45Å |
| 96 | I | 97.3 | Very high | 82.5 | Confident | 26 Ų | 26 | 87.2 Ų | 87.2 | 13% | 0.133 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.8 | 169.9 | -61.7 | 174.1 | 0 | 0 | 0 | 108.4 | L110 I111 W126 C168 V181 W183 | I96-L110 HydrophobicContact CG2-CB 4.44Å; I96-L110 HydrophobicContact CG2-CD2 4.05Å; I96-I111 WeakPolarHBondContact CA-O 3.25Å; I96-W126 HydrophobicContact CD1-CH2 3.77Å; I96-W126 HydrophobicContact CD1-CZ3 3.79Å; I96-W126 HydrophobicContact CG1-CH2 3.91Å; I96-W126 HydrophobicContact CG1-CZ3 4.44Å; I96-W126 HydrophobicContact CG2-CH2 3.88Å; I96-C168 HydrophobicContact CD1-CB 3.72Å; I96-C168 HydrophobicContact CG1-CB 3.97Å; I96-V181 HydrophobicContact CD1-CB 4.08Å; I96-V181 HydrophobicContact CD1-CG1 3.95Å; I96-V181 WeakPolarHBondContact CD1-O 2.81Å; I96-V181 HydrophobicContact CG1-CB 4.29Å; I96-V181 HydrophobicContact CG1-CG1 3.98Å; I96-W183 HydrophobicContact CB-CB 4.22Å; I96-W183 HydrophobicContact CD1-CB 4.2Å; I96-W183 HydrophobicContact CG2-CB 3.64Å; I96-W183 HydrophobicContact CG2-CG 3.96Å |
| 97 | S | 93.8 | Very high | 81.3 | Confident | 50 Ų | 50 | 87.2 Ų | 87.2 | 35% | 0.35 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139.7 | 173 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | I111 | S97-I111 PolarHBondContact N-O 3.05Å; S97-I111 PolarHBondContact O-N 3.42Å |
| 98 | P | 91.8 | Very high | 80.8 | Confident | 47 Ų | 47 | 84.6 Ų | 84.6 | 31% | 0.305 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 136.3 | 172.2 | 32.7 | -34.3 | 0 | 0 | 0 | 109.9 | H107 L109 L110 | P98-H107 HydrophobicContact CB-CB 3.88Å; P98-L109 WeakPolarHBondContact CA-O 3.44Å; P98-L110 HydrophobicContact CB-CD2 4.12Å |
| 99 | S | 82.8 | Confident | 80.6 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 25% | 0.245 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 150.6 | 170.7 | -165.7 | 0 | 0 | 0 | 0 | 110.8 | H107 L109 | S99-H107 PolarHBondContact O-ND1 2.78Å; S99-L109 PolarHBondContact N-O 3.23Å |
| 100 | R | 68.6 | Low | 80.4 | Confident | 211 Ų | 211 | 75.8 Ų | 75.8 | 80% | 0.796 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -101 | 124.4 | 166.8 | -75.8 | -172.4 | -177.3 | 173.8 | 2.7 | 108.7 | H107 | R100-H107 VanDerWaalsContact CG-CE1 3.45Å; R100-H107 WeakPolarHBondContact CG-CE1 3.43Å |
| 101 | T | 57.2 | Low | 80.4 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 121.1 | 162 | 37.8 | 0 | 0 | 0 | 0 | 108.3 | A103 L104 | T101-A103 PolarHBondContact O-N 2.81Å; T101-L104 PolarHBondContact O-N 2.94Å; T101-L104 VanDerWaalsContact O-N 3.12Å |
| 102 | E | 54.9 | Low | 80.4 | Confident | 201 Ų | 201 | 69.8 Ų | 69.8 | 94% | 0.939 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -21.1 | -174.5 | -71.2 | -179.7 | 155.3 | 0 | 0 | 114.4 | ||
| 103 | A | 58.3 | Low | 80.4 | Confident | 95 Ų | 95 | 70.4 Ų | 70.4 | 79% | 0.785 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -23 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T101 | T101-A103 PolarHBondContact O-N 2.81Š|
| 104 | L | 52.3 | Low | 80.4 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -132.1 | 116 | -175.1 | -70.9 | 153 | 0 | 0 | 0 | 105.9 | T101 H106 | T101-L104 PolarHBondContact O-N 2.94Å; T101-L104 VanDerWaalsContact O-N 3.12Å; L104-H106 PolarHBondContact O-N 3.41Å |
| 105 | N | 54.3 | Low | 80.4 | Confident | 170 Ų | 170 | 67.2 Ų | 67.2 | 91% | 0.909 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -64.5 | 25.8 | 175.3 | -80.3 | -33.2 | 0 | 0 | 0 | 113.4 | ||
| 106 | H | 58 | Low | 80.4 | Confident | 128 Ų | 128 | 67.1 Ų | 67.1 | 59% | 0.593 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -127.9 | 144.5 | -179.9 | -64.1 | -66.8 | 0 | 0 | 0 | 110.5 | L104 N108 | L104-H106 PolarHBondContact O-N 3.41Å; H106-N108 WeakPolarHBondContact CB-OD1 3.49Å; H106-N108 PolarHBondContact O-N 3.23Å; H106-N108 VanDerWaalsContact O-N 3.14Å |
| 107 | H | 63.8 | Low | 80.4 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | trans | -79 | 90.7 | 172.8 | -66.5 | -70.8 | 0 | 0 | 0 | 109.2 | P98 S99 R100 L109 M158 | P98-H107 HydrophobicContact CB-CB 3.88Å; S99-H107 PolarHBondContact O-ND1 2.78Å; R100-H107 VanDerWaalsContact CG-CE1 3.45Å; R100-H107 WeakPolarHBondContact CG-CE1 3.43Å; H107-L109 VanDerWaalsContact C-N 3.33Å; H107-M158 VanDerWaalsContact O-CE 3.22Å; H107-M158 WeakPolarHBondContact O-CE 3.42Å; H107-M158 VanDerWaalsContact O-SD 3.35Å | ||
| 108 | N | 81.7 | Confident | 80.6 | Confident | 35 Ų | 35 | 65 Ų | 65 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | trans | -93.9 | 7.1 | 178.3 | -67.9 | 10.6 | 0 | 0 | 0 | 112.8 | H106 E157 M158 | H106-N108 WeakPolarHBondContact CB-OD1 3.49Å; H106-N108 PolarHBondContact O-N 3.23Å; H106-N108 VanDerWaalsContact O-N 3.14Å; N108-E157 CarbonylContact O-C 3.58Å; N108-E157 VanDerWaalsContact O-CA 3.31Å; N108-E157 WeakPolarHBondContact O-CA 3.49Å; N108-M158 WeakPolarHBondContact CA-O 3.49Å; N108-M158 PolarHBondContact O-N 3.36Å | ||
| 109 | L | 90.3 | Very high | 80.9 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 124.4 | -178.8 | -163.8 | 82.1 | 0 | 0 | 0 | 109.9 | P98 S99 H107 I111 M155 L156 E157 | P98-L109 WeakPolarHBondContact CA-O 3.44Å; S99-L109 PolarHBondContact N-O 3.23Å; H107-L109 VanDerWaalsContact C-N 3.33Å; L109-I111 HydrophobicContact CD2-CD1 4.48Å; L109-I111 HydrophobicContact CD2-CG1 4.24Å; L109-M155 HydrophobicContact CD1-CB 4.03Å; L109-M155 HydrophobicContact CD2-CB 4.12Å; L109-M155 HydrophobicContact CD2-CG 4.22Å; L109-M155 HydrophobicContact CD2-SD 4.25Å; L109-M155 HydrophobicContact CG-CB 4.15Å; L109-L156 VanDerWaalsContact CA-O 3.32Å; L109-L156 WeakPolarHBondContact CA-O 3.46Å; L109-E157 HydrophobicContact CD1-CB 4.33Å |
| 110 | L | 94.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.5 | 166.4 | -70.3 | 172.9 | 0 | 0 | 0 | 109.3 | I96 P98 W126 M155 L156 M158 Y166 W183 | I96-L110 HydrophobicContact CG2-CB 4.44Å; I96-L110 HydrophobicContact CG2-CD2 4.05Å; P98-L110 HydrophobicContact CB-CD2 4.12Å; L110-W126 HydrophobicContact CB-CH2 3.76Å; L110-W126 HydrophobicContact CB-CZ2 3.99Å; L110-W126 HydrophobicContact CB-CZ3 4.49Å; L110-W126 HydrophobicContact CD1-CH2 4.4Å; L110-W126 HydrophobicContact CD1-CZ3 4.41Å; L110-M155 CarbonylContact O-C 3.6Å; L110-M155 WeakPolarHBondContact O-CA 3.49Å; L110-L156 PolarHBondContact N-O 3Å; L110-L156 PolarHBondContact O-N 3.19Å; L110-M158 HydrophobicContact CD1-CE 3.96Å; L110-M158 HydrophobicContact CD1-CG 4.22Å; L110-M158 HydrophobicContact CD2-CE 4Å; L110-M158 HydrophobicContact CG-CE 3.69Å; L110-M158 HydrophobicContact CG-CG 4.11Å; L110-Y166 HydrophobicContact CD1-CD1 3.94Å; L110-Y166 HydrophobicContact CD1-CD2 3.88Å; L110-Y166 HydrophobicContact CD1-CG 3.5Å; L110-W183 HydrophobicContact CD1-CD2 4.14Å; L110-W183 HydrophobicContact CD1-CE3 3.7Å; L110-W183 HydrophobicContact CD1-CZ3 4.19Å; L110-W183 HydrophobicContact CD2-CD2 3.53Å; L110-W183 HydrophobicContact CD2-CE3 3.82Å; L110-W183 HydrophobicContact CD2-CG 3.89Å; L110-W183 HydrophobicContact CD2-CH2 4.38Å; L110-W183 HydrophobicContact CD2-CZ2 4.15Å; L110-W183 HydrophobicContact CD2-CZ3 4.23Å; L110-W183 HydrophobicContact CG-CD2 4.49Å; L110-W183 HydrophobicContact CG-CE3 4.36Å |
| 111 | I | 96.8 | Very high | 82.9 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.8 | 178 | -49.3 | -173.1 | 0 | 0 | 0 | 108.1 | I96 S97 L109 L153 M155 | I96-I111 WeakPolarHBondContact CA-O 3.25Å; S97-I111 PolarHBondContact N-O 3.05Å; S97-I111 PolarHBondContact O-N 3.42Å; L109-I111 HydrophobicContact CD2-CD1 4.48Å; L109-I111 HydrophobicContact CD2-CG1 4.24Å; I111-L153 HydrophobicContact CG2-CB 4.15Å; I111-L153 HydrophobicContact CG2-CD2 4.39Å; I111-M155 HydrophobicContact CB-CG 4.48Å; I111-M155 HydrophobicContact CG1-CG 4.09Å; I111-M155 HydrophobicContact CG2-CG 4.15Å |
| 112 | C | 98.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 105.3 | 165.4 | -176 | 0 | 0 | 0 | 0 | 108.4 | T95 W126 V154 C168 | T95-C112 WeakPolarHBondContact O-CA 3.32Å; C112-W126 HydrophobicContact CB-CH2 4.08Å; C112-W126 HydrophobicContact CB-CZ2 3.47Å; C112-W126 VanDerWaalsContact CB-CZ2 3.47Å; C112-V154 PolarHBondContact N-O 3.27Å; C112-V154 PolarHBondContact O-N 3.24Å; C112-C168 HydrophobicContact CB-CB 3.62Å; C112-C168 WeakPolarHBondContact CB-SG 3.29Å; C112-C168 WeakPolarHBondContact SG-CB 3.1Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 2.98Å |
| 113 | S | 98.4 | Very high | 86.9 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116.1 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 108.9 | V94 T95 L153 | V94-S113 WeakPolarHBondContact CA-O 3.33Å; T95-S113 PolarHBondContact N-O 2.79Å; T95-S113 PolarHBondContact O-N 3.45Å; S113-L153 WeakPolarHBondContact OG-CD2 3.24Å |
| 114 | V | 98.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 109.3 | 178.8 | -170.3 | 0 | 0 | 0 | 0 | 108 | P92 T93 V94 F117 I122 V124 Q151 I152 V170 | P92-V114 HydrophobicContact CB-CG1 3.5Å; P92-V114 HydrophobicContact CG-CG1 4.32Å; T93-V114 WeakPolarHBondContact O-CA 3.35Å; V94-V114 HydrophobicContact CG1-CG2 4.48Å; V94-V114 HydrophobicContact CG2-CG1 4.31Å; V114-F117 HydrophobicContact CB-CE1 4.42Å; V114-F117 HydrophobicContact CG1-CD1 3.96Å; V114-F117 HydrophobicContact CG1-CE1 3.98Å; V114-F117 WeakPolarHBondContact O-CE1 3.31Å; V114-I122 HydrophobicContact CG1-CD1 3.46Å; V114-I122 VanDerWaalsContact CG1-CD1 3.46Å; V114-V124 HydrophobicContact CG2-CG1 4.29Å; V114-V124 HydrophobicContact CG2-CG2 4Å; V114-Q151 CarbonylContact O-C 3.57Å; V114-Q151 VanDerWaalsContact O-CA 3.25Å; V114-Q151 WeakPolarHBondContact O-CA 3.31Å; V114-I152 HydrophobicContact CB-CG2 3.95Å; V114-I152 PolarHBondContact N-O 3.32Å; V114-I152 PolarHBondContact O-N 3.02Å; V114-V170 HydrophobicContact CG1-CG1 4.08Å; V114-V170 HydrophobicContact CG2-CG2 3.86Å |
| 115 | T | 98.6 | Very high | 91 | Very high | 30 Ų | 30 | 48 Ų | 48 | 18% | 0.184 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 164.4 | -169.2 | 67 | 0 | 0 | 0 | 0 | 112.7 | P92 T93 F117 Q151 | P92-T115 VanDerWaalsContact CA-O 3.31Å; P92-T115 WeakPolarHBondContact CA-O 3.41Å; T93-T115 PolarHBondContact N-O 2.97Å; T93-T115 PolarHBondContact O-N 3.32Å; T115-F117 VanDerWaalsContact C-N 3.28Å; T115-F117 PolarHBondContact O-N 2.87Å; T115-Q151 HydrophobicContact CG2-CB 4.1Å |
| 116 | D | 98 | Very high | 93.1 | Very high | 71 Ų | 71 | 40 Ų | 40 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.1 | 26 | 166.9 | -49.1 | -54.3 | 0 | 0 | 0 | 115.6 | V90 F150 | V90-D116 WeakPolarHBondContact CG1-O 3.41Å; D116-F150 PolarHBondContact N-O 3.43Å; D116-F150 VanDerWaalsContact N-O 3.08Å |
| 117 | F | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 157.2 | -177 | 65 | -89.7 | 0 | 0 | 0 | 114 | V90 P92 V114 T115 P119 I122 L142 T149 F150 I152 H172 | V90-F117 WeakPolarHBondContact O-CA 3.4Å; P92-F117 HydrophobicContact CB-CB 3.76Å; P92-F117 HydrophobicContact CB-CD1 4.15Å; P92-F117 HydrophobicContact CB-CG 4.26Å; P92-F117 HydrophobicContact CG-CB 4.41Å; V114-F117 HydrophobicContact CB-CE1 4.42Å; V114-F117 HydrophobicContact CG1-CD1 3.96Å; V114-F117 HydrophobicContact CG1-CE1 3.98Å; V114-F117 WeakPolarHBondContact O-CE1 3.31Å; T115-F117 VanDerWaalsContact C-N 3.28Å; T115-F117 PolarHBondContact O-N 2.87Å; F117-P119 WeakPolarHBondContact CD2-O 3.03Å; F117-I122 HydrophobicContact CD1-CD1 3.94Å; F117-I122 HydrophobicContact CD2-CB 4.47Å; F117-I122 HydrophobicContact CD2-CD1 3.89Å; F117-I122 HydrophobicContact CE1-CD1 3.75Å; F117-I122 HydrophobicContact CE2-CB 3.84Å; F117-I122 HydrophobicContact CE2-CD1 3.73Å; F117-I122 HydrophobicContact CE2-CG1 4.4Å; F117-I122 HydrophobicContact CE2-CG2 3.86Å; F117-I122 HydrophobicContact CG-CD1 4Å; F117-I122 HydrophobicContact CZ-CB 4.17Å; F117-I122 HydrophobicContact CZ-CD1 3.65Å; F117-I122 HydrophobicContact CZ-CG2 3.78Å; F117-L142 HydrophobicContact CE2-CD1 4.14Å; F117-L142 HydrophobicContact CZ-CD1 3.64Å; F117-T149 CarbonylContact O-C 3.49Å; F117-T149 WeakPolarHBondContact O-CA 2.98Å; F117-F150 VanDerWaalsContact CD1-O 3.24Å; F117-F150 WeakPolarHBondContact CD1-O 3.48Å; F117-F150 HydrophobicContact CD2-CB 4.18Å; F117-F150 HydrophobicContact CE1-CB 4.29Å; F117-F150 WeakPolarHBondContact CE1-O 3.46Å; F117-F150 HydrophobicContact CE2-CB 3.76Å; F117-F150 HydrophobicContact CZ-CB 3.83Å; F117-F150 PolarHBondContact N-O 3.31Å; F117-F150 PolarHBondContact O-N 3.18Å; F117-I152 HydrophobicContact CE1-CG2 4.12Å; F117-I152 HydrophobicContact CZ-CG2 4.11Å; F117-H172 AromaticContact CD2-CD2 3.86Å; F117-H172 AromaticContact CD2-NE2 3.67Å |
| 118 | Y | 97.8 | Very high | 96.6 | Very high | 30 Ų | 30 | 34.6 Ų | 34.6 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -154.7 | 137.5 | 171.3 | -175.7 | -82.3 | 0 | 0 | 0 | 110.4 | I85 R88 R89 V90 W148 F150 H172 | I85-Y118 PolarHBondContact O-OH 2.92Å; R88-Y118 HydrophobicContact CB-CD1 3.8Å; R88-Y118 HydrophobicContact CB-CE1 3.72Å; R88-Y118 HydrophobicContact CG-CD1 3.75Å; R88-Y118 HydrophobicContact CG-CE1 4.13Å; R88-Y118 HydrophobicContact CG-CG 4.47Å; R88-Y118 WeakPolarHBondContact O-CD1 3.31Å; R89-Y118 CarbonylContact C-O 3.58Å; R89-Y118 WeakPolarHBondContact CA-O 3.14Å; V90-Y118 PolarHBondContact N-O 3.36Å; V90-Y118 PolarHBondContact O-N 3.26Å; V90-Y118 VanDerWaalsContact O-N 3.14Å; Y118-W148 WeakPolarHBondContact CB-O 3.31Å; Y118-W148 WeakPolarHBondContact CD2-O 3.2Å; Y118-W148 HydrophobicContact CE2-CE3 4.14Å; Y118-F150 HydrophobicContact CD2-CD2 4.09Å; Y118-F150 AromaticContact CD2-CE2 3.63Å; Y118-F150 HydrophobicContact CD2-CE2 3.63Å; Y118-F150 AromaticContact CE2-CE2 3.95Å; Y118-F150 HydrophobicContact CE2-CE2 3.95Å; Y118-H172 VanDerWaalsContact C-CE1 3.43Å; Y118-H172 PolarHBondContact O-CE1 3.41Å |
| 119 | P | 97.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | S | Bend | cis | -79.9 | -174.3 | 8.2 | 36.5 | -40.8 | 0 | 0 | 0 | 113.4 | F117 Q121 H172 | F117-P119 WeakPolarHBondContact CD2-O 3.03Å; P119-Q121 VanDerWaalsContact C-N 3.28Å; P119-Q121 VanDerWaalsContact CB-OE1 3.23Å; P119-Q121 PolarHBondContact O-N 3.45Å; P119-H172 PolarHBondContact O-NE2 3.21Å |
| 120 | S | 96.9 | Very high | 97.5 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 29% | 0.287 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -69.3 | -20.7 | -175.6 | 47.7 | 0 | 0 | 0 | 0 | 115.1 | I122 | S120-I122 PolarHBondContact O-N 3.31Š|
| 121 | Q | 96.6 | Very high | 97.6 | Very high | 117 Ų | 117 | 48.1 Ų | 48.1 | 55% | 0.547 | 24% | 0.242 | S | C | . | . | trans | -73.8 | 116.3 | -176.5 | -60.1 | 81.8 | 9 | 0 | 0 | 109.8 | P119 H172 P173 | P119-Q121 VanDerWaalsContact C-N 3.28Å; P119-Q121 VanDerWaalsContact CB-OE1 3.23Å; P119-Q121 PolarHBondContact O-N 3.45Å; Q121-H172 PolarHBondContact O-CD2 2.61Å; Q121-P173 VanDerWaalsContact O-CD 3.26Å; Q121-P173 WeakPolarHBondContact O-CD 3.4Å | ||
| 122 | I | 98.4 | Very high | 97.6 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | trans | -144 | 151.3 | -178.6 | -164.5 | 161.1 | 0 | 0 | 0 | 109.9 | V114 F117 S120 V124 I152 V170 H172 | V114-I122 HydrophobicContact CG1-CD1 3.46Å; V114-I122 VanDerWaalsContact CG1-CD1 3.46Å; F117-I122 HydrophobicContact CD1-CD1 3.94Å; F117-I122 HydrophobicContact CD2-CB 4.47Å; F117-I122 HydrophobicContact CD2-CD1 3.89Å; F117-I122 HydrophobicContact CE1-CD1 3.75Å; F117-I122 HydrophobicContact CE2-CB 3.84Å; F117-I122 HydrophobicContact CE2-CD1 3.73Å; F117-I122 HydrophobicContact CE2-CG1 4.4Å; F117-I122 HydrophobicContact CE2-CG2 3.86Å; F117-I122 HydrophobicContact CG-CD1 4Å; F117-I122 HydrophobicContact CZ-CB 4.17Å; F117-I122 HydrophobicContact CZ-CD1 3.65Å; F117-I122 HydrophobicContact CZ-CG2 3.78Å; S120-I122 PolarHBondContact O-N 3.31Å; I122-V124 HydrophobicContact CD1-CG2 4.32Å; I122-V124 HydrophobicContact CG1-CG2 4.09Å; I122-I152 HydrophobicContact CG2-CG2 4.25Å; I122-V170 HydrophobicContact CD1-CG1 3.85Å; I122-V170 HydrophobicContact CG1-CG1 4.09Å; I122-H172 HydrophobicContact CD1-CB 4.45Å; I122-H172 HydrophobicContact CG1-CB 4.26Å | ||
| 123 | K | 98.5 | Very high | 97.5 | Very high | 99 Ų | 99 | 53.9 Ų | 53.9 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 123.3 | 171.8 | -177.3 | -176.5 | 177.5 | -160.8 | 0 | 108.5 | R125 V170 E171 | K123-R125 HydrophobicContact CG-CG 4.49Å; K123-V170 WeakPolarHBondContact O-CA 3.4Å; K123-E171 HydrophobicContact CB-CB 4.24Å; K123-E171 PolarHBondContact N-O 2.95Å; K123-E171 IonicContact NZ-OE1 3.87Å; K123-E171 PolarHBondContact NZ-OE1 2.82Å; K123-E171 PolarHBondContact O-N 3.03Å |
| 124 | V | 98.6 | Very high | 97.4 | Very high | 27 Ų | 27 | 58 Ų | 58 | 16% | 0.164 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.6 | -177.9 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | V114 I122 I152 V154 H169 V170 | V114-V124 HydrophobicContact CG2-CG1 4.29Å; V114-V124 HydrophobicContact CG2-CG2 4Å; I122-V124 HydrophobicContact CD1-CG2 4.32Å; I122-V124 HydrophobicContact CG1-CG2 4.09Å; V124-I152 HydrophobicContact CG2-CG2 4.3Å; V124-V154 HydrophobicContact CB-CB 4.49Å; V124-V154 HydrophobicContact CB-CG2 3.78Å; V124-V154 HydrophobicContact CG1-CB 3.83Å; V124-V154 HydrophobicContact CG1-CG1 4.26Å; V124-V154 HydrophobicContact CG1-CG2 3.61Å; V124-V154 HydrophobicContact CG2-CG2 4.29Å; V124-H169 CarbonylContact C-O 3.57Å; V124-H169 WeakPolarHBondContact CA-O 3.47Å; V124-V170 HydrophobicContact CG1-CG2 4.21Å; V124-V170 HydrophobicContact CG2-CG1 4.45Å; V124-V170 HydrophobicContact CG2-CG2 4.26Å |
| 125 | R | 98.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 19% | 0.185 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148.8 | -177.4 | -68.6 | -175.4 | -77.8 | 162.3 | 2 | 110.4 | K123 F127 E132 H169 E171 | K123-R125 HydrophobicContact CG-CG 4.49Å; R125-F127 HydrophobicContact CB-CD2 4.43Å; R125-F127 HydrophobicContact CB-CE2 3.75Å; R125-E132 VanDerWaalsContact CD-CD 3.49Å; R125-E132 WeakPolarHBondContact CD-OE1 3.49Å; R125-E132 IonicContact CZ-OE2 3.81Å; R125-E132 IonicContact NH1-OE2 2.74Å; R125-E132 PolarHBondContact NH1-OE2 3.31Å; R125-H169 HydrophobicContact CB-CB 4.49Å; R125-H169 PolarHBondContact N-O 2.96Å; R125-H169 PolarHBondContact NH2-CE1 3.26Å; R125-H169 PolarHBondContact NH2-ND1 2.92Å; R125-H169 PolarHBondContact O-N 2.95Å; R125-E171 IonicContact CZ-OE1 2.84Å; R125-E171 IonicContact NE-OE1 3.39Å; R125-E171 IonicContact NH2-OE1 3.38Å; R125-E171 PolarHBondContact NH2-OE1 2.84Å |
| 126 | W | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 145.6 | 171.6 | -83 | 108.5 | 0 | 0 | 0 | 110.2 | I96 L110 C112 E132 E133 V137 V154 L156 T167 C168 | I96-W126 HydrophobicContact CD1-CH2 3.77Å; I96-W126 HydrophobicContact CD1-CZ3 3.79Å; I96-W126 HydrophobicContact CG1-CH2 3.91Å; I96-W126 HydrophobicContact CG1-CZ3 4.44Å; I96-W126 HydrophobicContact CG2-CH2 3.88Å; L110-W126 HydrophobicContact CB-CH2 3.76Å; L110-W126 HydrophobicContact CB-CZ2 3.99Å; L110-W126 HydrophobicContact CB-CZ3 4.49Å; L110-W126 HydrophobicContact CD1-CH2 4.4Å; L110-W126 HydrophobicContact CD1-CZ3 4.41Å; C112-W126 HydrophobicContact CB-CH2 4.08Å; C112-W126 HydrophobicContact CB-CZ2 3.47Å; C112-W126 VanDerWaalsContact CB-CZ2 3.47Å; W126-E132 WeakPolarHBondContact O-CA 3.48Å; W126-E133 HydrophobicContact CB-CB 4.37Å; W126-E133 PolarHBondContact O-N 3.25Å; W126-V137 HydrophobicContact CB-CG2 4.23Å; W126-V137 HydrophobicContact CG-CG2 4.46Å; W126-V154 PolarHBondContact NE1-O 2.94Å; W126-V154 VanDerWaalsContact NE1-O 3.11Å; W126-L156 HydrophobicContact CB-CD2 4.18Å; W126-L156 HydrophobicContact CD2-CB 3.92Å; W126-L156 HydrophobicContact CD2-CD2 4.01Å; W126-L156 HydrophobicContact CE3-CD2 4.08Å; W126-L156 HydrophobicContact CG-CB 3.9Å; W126-L156 HydrophobicContact CG-CD2 4.09Å; W126-L156 HydrophobicContact CG-CG 4.45Å; W126-L156 HydrophobicContact CZ2-CB 4.36Å; W126-T167 CarbonylContact C-O 3.57Å; W126-T167 WeakPolarHBondContact CA-O 3.4Å; W126-C168 HydrophobicContact CE3-CB 4.3Å; W126-C168 HydrophobicContact CH2-CB 4.15Å; W126-C168 HydrophobicContact CZ2-CB 4.48Å; W126-C168 HydrophobicContact CZ3-CB 4.05Å |
| 127 | F | 98.1 | Very high | 96.8 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.3 | 170.8 | -67.5 | -105.9 | 0 | 0 | 0 | 108.9 | R125 Q131 E132 Y166 T167 H169 | R125-F127 HydrophobicContact CB-CD2 4.43Å; R125-F127 HydrophobicContact CB-CE2 3.75Å; F127-Q131 CarbonylContact C-O 3.55Å; F127-Q131 WeakPolarHBondContact CA-O 3.5Å; F127-E132 HydrophobicContact CD1-CB 4Å; F127-E132 HydrophobicContact CE1-CB 3.61Å; F127-E132 HydrophobicContact CE1-CG 4.24Å; F127-E132 HydrophobicContact CE2-CG 4.42Å; F127-E132 HydrophobicContact CZ-CB 3.93Å; F127-E132 HydrophobicContact CZ-CG 4.05Å; F127-Y166 CarbonylContact O-C 3.59Å; F127-Y166 WeakPolarHBondContact O-CA 3.47Å; F127-T167 PolarHBondContact N-O 3.1Å; F127-T167 PolarHBondContact O-N 2.92Å; F127-H169 HydrophobicContact CD2-CB 3.89Å; F127-H169 HydrophobicContact CE2-CB 3.68Å; F127-H169 AromaticContact CE2-ND1 3.51Å; F127-H169 AromaticContact CZ-ND1 3.92Å |
| 128 | Q | 96.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.5 | 167.2 | -179.8 | 177.5 | -2.1 | 0 | 0 | 107.6 | D130 Q131 E133 D164 V165 Y166 | Q128-D130 VanDerWaalsContact C-N 3.28Å; Q128-D130 PolarHBondContact O-N 3.41Å; Q128-Q131 PolarHBondContact N-O 2.82Å; Q128-Q131 PolarHBondContact O-N 3.16Å; Q128-E133 HydrophobicContact CB-CG 3.6Å; Q128-D164 VanDerWaalsContact NE2-CG 3.34Å; Q128-D164 PolarHBondContact NE2-OD1 2.03Å; Q128-D164 PolarHBondContact NE2-OD2 2.95Å; Q128-V165 WeakPolarHBondContact CA-O 3.49Å; Q128-Y166 HydrophobicContact CB-CD1 4.23Å; Q128-Y166 HydrophobicContact CB-CE1 4.19Å; Q128-Y166 HydrophobicContact CG-CD1 4.25Å; Q128-Y166 HydrophobicContact CG-CE1 3.87Å; Q128-Y166 PolarHBondContact NE2-OH 3.42Å |
| 129 | N | 95.5 | Very high | 96.7 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 48.9 | -179.9 | -54.4 | -39.3 | 0 | 0 | 0 | 112.3 | Q131 D164 V165 | N129-Q131 PolarHBondContact O-N 3.44Å; N129-D164 PolarHBondContact ND2-OD1 3.45Å; N129-D164 WeakPolarHBondContact OD1-CA 3.46Å; N129-V165 PolarHBondContact N-O 3Å; N129-V165 PolarHBondContact OD1-N 2.92Å |
| 130 | D | 94.4 | Very high | 96.7 | Very high | 142 Ų | 142 | 67.6 Ų | 67.6 | 76% | 0.759 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 5.8 | -177.4 | -57.8 | -48.6 | 0 | 0 | 0 | 116.7 | Q128 | Q128-D130 VanDerWaalsContact C-N 3.28Å; Q128-D130 PolarHBondContact O-N 3.41Å |
| 131 | Q | 96.9 | Very high | 96.7 | Very high | 141 Ų | 141 | 70.9 Ų | 70.9 | 66% | 0.659 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130 | 173.5 | -60.2 | -167 | -6.6 | 0 | 0 | 110.6 | F127 Q128 N129 E133 | F127-Q131 CarbonylContact C-O 3.55Å; F127-Q131 WeakPolarHBondContact CA-O 3.5Å; Q128-Q131 PolarHBondContact N-O 2.82Å; Q128-Q131 PolarHBondContact O-N 3.16Å; N129-Q131 PolarHBondContact O-N 3.44Å; Q131-E133 PolarHBondContact O-N 2.85Å |
| 132 | E | 97.6 | Very high | 96.8 | Very high | 94 Ų | 94 | 68.8 Ų | 68.8 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 120.7 | -179.2 | -173.3 | 169.3 | 160 | 0 | 0 | 110.2 | R125 W126 F127 T134 | R125-E132 VanDerWaalsContact CD-CD 3.49Å; R125-E132 WeakPolarHBondContact CD-OE1 3.49Å; R125-E132 IonicContact CZ-OE2 3.81Å; R125-E132 IonicContact NH1-OE2 2.74Å; R125-E132 PolarHBondContact NH1-OE2 3.31Å; W126-E132 WeakPolarHBondContact O-CA 3.48Å; F127-E132 HydrophobicContact CD1-CB 4Å; F127-E132 HydrophobicContact CE1-CB 3.61Å; F127-E132 HydrophobicContact CE1-CG 4.24Å; F127-E132 HydrophobicContact CE2-CG 4.42Å; F127-E132 HydrophobicContact CZ-CB 3.93Å; F127-E132 HydrophobicContact CZ-CG 4.05Å; E132-T134 HydrophobicContact CG-CG2 4.4Å |
| 133 | E | 96.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 70 Ų | 70 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.3 | 178.3 | -75.2 | -58.8 | 163.1 | 0 | 0 | 110.9 | W126 Q128 Q131 V137 L156 | W126-E133 HydrophobicContact CB-CB 4.37Å; W126-E133 PolarHBondContact O-N 3.25Å; Q128-E133 HydrophobicContact CB-CG 3.6Å; Q131-E133 PolarHBondContact O-N 2.85Å; E133-V137 WeakPolarHBondContact O-CG2 3.43Å; E133-L156 HydrophobicContact CB-CD1 4.3Å |
| 134 | T | 96.4 | Very high | 96.7 | Very high | 107 Ų | 107 | 73.3 Ų | 73.3 | 66% | 0.656 | 40% | 0.403 | S | S | * | . | trans | -124.9 | -22.5 | 179.6 | 58 | 0 | 0 | 0 | 0 | 112.3 | E132 | E132-T134 HydrophobicContact CG-CG2 4.4Š| ||
| 135 | A | 94.7 | Very high | 96.6 | Very high | 69 Ų | 69 | 74.7 Ų | 74.7 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 137.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V137 | A135-V137 PolarHBondContact O-N 3.49Å; A135-V137 VanDerWaalsContact O-N 3.15Å |
| 136 | G | 91.6 | Very high | 96.5 | Very high | 36 Ų | 36 | 75.6 Ų | 75.6 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 6.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | E157 | G136-E157 PolarHBondContact O-N 3.29Š|
| 137 | V | 96.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 79.8 Ų | 79.8 | 30% | 0.297 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.3 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | W126 E133 A135 V154 M155 L156 | W126-V137 HydrophobicContact CB-CG2 4.23Å; W126-V137 HydrophobicContact CG-CG2 4.46Å; E133-V137 WeakPolarHBondContact O-CG2 3.43Å; A135-V137 PolarHBondContact O-N 3.49Å; A135-V137 VanDerWaalsContact O-N 3.15Å; V137-V154 HydrophobicContact CG1-CG1 3.67Å; V137-M155 CarbonylContact C-O 3.55Å; V137-M155 VanDerWaalsContact CA-O 3.28Å; V137-M155 WeakPolarHBondContact CA-O 3.42Å; V137-L156 HydrophobicContact CG2-CD1 3.66Å |
| 138 | V | 95.9 | Very high | 96.2 | Very high | 89 Ų | 89 | 84.9 Ų | 84.9 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 137.4 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | M155 | V138-M155 HydrophobicContact CB-CE 4.29Å; V138-M155 HydrophobicContact CG1-CE 4.1Å; V138-M155 PolarHBondContact N-O 3.48Å; V138-M155 WeakPolarHBondContact O-CE 3.5Å; V138-M155 PolarHBondContact O-N 3.38Å |
| 139 | S | 96.9 | Very high | 96.3 | Very high | 70 Ų | 70 | 83.1 Ų | 83.1 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 149.8 | 175.7 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | L153 | S139-L153 CarbonylContact C-O 3.55Å; S139-L153 VanDerWaalsContact CA-O 3.28Å; S139-L153 WeakPolarHBondContact CA-O 3.37Å |
| 140 | T | 96.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 79.9 Ų | 79.9 | 20% | 0.202 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 160.6 | 163.3 | 62.5 | 0 | 0 | 0 | 0 | 110.3 | L153 M155 | T140-L153 HydrophobicContact CG2-CB 3.88Å; T140-L153 HydrophobicContact CG2-CD1 4.28Å; T140-L153 HydrophobicContact CG2-CG 4.29Å; T140-L153 PolarHBondContact N-O 3.28Å; T140-L153 PolarHBondContact OG1-N 3.42Å; T140-L153 VanDerWaalsContact OG1-N 3.15Å; T140-M155 HydrophobicContact CG2-CE 4.39Å |
| 141 | P | 97.7 | Very high | 96.6 | Very high | 111 Ų | 111 | 76 Ų | 76 | 72% | 0.721 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 154.4 | 157.2 | -21.4 | 33.5 | 0 | 0 | 0 | 110.3 | I143 | P141-I143 PolarHBondContact O-N 3.25Š|
| 142 | L | 97.6 | Very high | 96.7 | Very high | 72 Ų | 72 | 70.3 Ų | 70.3 | 38% | 0.377 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 126.5 | 172.4 | -174 | 74.3 | 0 | 0 | 0 | 109.9 | F117 F150 I152 | F117-L142 HydrophobicContact CE2-CD1 4.14Å; F117-L142 HydrophobicContact CZ-CD1 3.64Å; L142-F150 HydrophobicContact CD1-CB 4.01Å; L142-F150 HydrophobicContact CD1-CD1 4.43Å; L142-F150 HydrophobicContact CD2-CD1 3.59Å; L142-F150 HydrophobicContact CD2-CE1 3.99Å; L142-F150 HydrophobicContact CD2-CG 4.17Å; L142-F150 HydrophobicContact CG-CB 4.34Å; L142-F150 HydrophobicContact CG-CD1 3.86Å; L142-F150 HydrophobicContact CG-CG 4.42Å; L142-I152 HydrophobicContact CD1-CB 4.27Å |
| 143 | I | 98 | Very high | 96.7 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 34% | 0.338 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.5 | -178.1 | -57.4 | 169.2 | 0 | 0 | 0 | 108.7 | P141 F150 Q151 | P141-I143 PolarHBondContact O-N 3.25Å; I143-F150 VanDerWaalsContact O-CA 3.24Å; I143-F150 WeakPolarHBondContact O-CA 3.24Å; I143-F150 WeakPolarHBondContact O-CD1 3.38Å; I143-Q151 HydrophobicContact CB-CG 3.58Å; I143-Q151 HydrophobicContact CD1-CG 4.11Å; I143-Q151 HydrophobicContact CG1-CG 4.35Å; I143-Q151 HydrophobicContact CG2-CG 3.87Å; I143-Q151 PolarHBondContact N-O 3.47Å; I143-Q151 PolarHBondContact O-N 2.91Å |
| 144 | R | 97.8 | Very high | 96.8 | Very high | 170 Ų | 170 | 66.1 Ų | 66.1 | 64% | 0.642 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.1 | 174.4 | -177.9 | -173.3 | -64.9 | -90.3 | -1.1 | 109.1 | G146 F150 | R144-G146 PolarHBondContact O-N 2.83Å; R144-F150 HydrophobicContact CB-CD1 4.2Å; R144-F150 HydrophobicContact CB-CE1 4.05Å; R144-F150 HydrophobicContact CG-CE1 4.12Å |
| 145 | N | 97 | Very high | 96.8 | Very high | 55 Ų | 55 | 63 Ų | 63 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | trans | -78.8 | -19.7 | -173.1 | -66.6 | -16.3 | 0 | 0 | 0 | 113.5 | D147 T149 Q151 | N145-D147 VanDerWaalsContact CB-OD1 3.29Å; N145-D147 WeakPolarHBondContact CB-OD1 3.5Å; N145-T149 PolarHBondContact N-O 2.8Å; N145-T149 VanDerWaalsContact N-O 3.12Å; N145-T149 PolarHBondContact ND2-OG1 3.05Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.4Å; N145-Q151 PolarHBondContact OD1-OE1 3.09Å | ||
| 146 | G | 95.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 59.9 Ų | 59.9 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 92 | -3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R144 | R144-G146 PolarHBondContact O-N 2.83Š|
| 147 | D | 95.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -113.7 | 21.8 | -179.7 | 67.2 | -9.1 | 0 | 0 | 0 | 112.9 | N145 T149 | N145-D147 VanDerWaalsContact CB-OD1 3.29Å; N145-D147 WeakPolarHBondContact CB-OD1 3.5Å; D147-T149 VanDerWaalsContact C-N 3.32Å; D147-T149 WeakPolarHBondContact OD1-CB 3.48Å; D147-T149 PolarHBondContact OD1-N 3.4Å; D147-T149 PolarHBondContact OD1-OG1 3.45Å |
| 148 | W | 94.7 | Very high | 96.5 | Very high | 141 Ų | 141 | 62.5 Ų | 62.5 | 53% | 0.534 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 69.1 | 21.5 | -172.6 | -58.3 | 78.7 | 0 | 0 | 0 | 115.3 | I85 Y118 | I85-W148 HydrophobicContact CD1-CH2 4.1Å; I85-W148 HydrophobicContact CG2-CE3 4.44Å; I85-W148 HydrophobicContact CG2-CH2 4.06Å; I85-W148 HydrophobicContact CG2-CZ3 3.55Å; Y118-W148 WeakPolarHBondContact CB-O 3.31Å; Y118-W148 WeakPolarHBondContact CD2-O 3.2Å; Y118-W148 HydrophobicContact CE2-CE3 4.14Å |
| 149 | T | 97.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | trans | -118 | 165 | 167.4 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | F117 N145 D147 | F117-T149 CarbonylContact O-C 3.49Å; F117-T149 WeakPolarHBondContact O-CA 2.98Å; N145-T149 PolarHBondContact N-O 2.8Å; N145-T149 VanDerWaalsContact N-O 3.12Å; N145-T149 PolarHBondContact ND2-OG1 3.05Å; D147-T149 VanDerWaalsContact C-N 3.32Å; D147-T149 WeakPolarHBondContact OD1-CB 3.48Å; D147-T149 PolarHBondContact OD1-N 3.4Å; D147-T149 PolarHBondContact OD1-OG1 3.45Å | ||
| 150 | F | 98.5 | Very high | 95.5 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 161.2 | 176.7 | -63.1 | -88.3 | 0 | 0 | 0 | 110.8 | D116 F117 Y118 L142 I143 R144 | D116-F150 PolarHBondContact N-O 3.43Å; D116-F150 VanDerWaalsContact N-O 3.08Å; F117-F150 VanDerWaalsContact CD1-O 3.24Å; F117-F150 WeakPolarHBondContact CD1-O 3.48Å; F117-F150 HydrophobicContact CD2-CB 4.18Å; F117-F150 HydrophobicContact CE1-CB 4.29Å; F117-F150 WeakPolarHBondContact CE1-O 3.46Å; F117-F150 HydrophobicContact CE2-CB 3.76Å; F117-F150 HydrophobicContact CZ-CB 3.83Å; F117-F150 PolarHBondContact N-O 3.31Å; F117-F150 PolarHBondContact O-N 3.18Å; Y118-F150 HydrophobicContact CD2-CD2 4.09Å; Y118-F150 AromaticContact CD2-CE2 3.63Å; Y118-F150 HydrophobicContact CD2-CE2 3.63Å; Y118-F150 AromaticContact CE2-CE2 3.95Å; Y118-F150 HydrophobicContact CE2-CE2 3.95Å; L142-F150 HydrophobicContact CD1-CB 4.01Å; L142-F150 HydrophobicContact CD1-CD1 4.43Å; L142-F150 HydrophobicContact CD2-CD1 3.59Å; L142-F150 HydrophobicContact CD2-CE1 3.99Å; L142-F150 HydrophobicContact CD2-CG 4.17Å; L142-F150 HydrophobicContact CG-CB 4.34Å; L142-F150 HydrophobicContact CG-CD1 3.86Å; L142-F150 HydrophobicContact CG-CG 4.42Å; I143-F150 VanDerWaalsContact O-CA 3.24Å; I143-F150 WeakPolarHBondContact O-CA 3.24Å; I143-F150 WeakPolarHBondContact O-CD1 3.38Å; R144-F150 HydrophobicContact CB-CD1 4.2Å; R144-F150 HydrophobicContact CB-CE1 4.05Å; R144-F150 HydrophobicContact CG-CE1 4.12Å |
| 151 | Q | 98.4 | Very high | 95 | Very high | 59 Ų | 59 | 68.6 Ų | 68.6 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 153.1 | 170.7 | 65.1 | -174.6 | 34.6 | 0 | 0 | 111.2 | V114 T115 I143 N145 | V114-Q151 CarbonylContact O-C 3.57Å; V114-Q151 VanDerWaalsContact O-CA 3.25Å; V114-Q151 WeakPolarHBondContact O-CA 3.31Å; T115-Q151 HydrophobicContact CG2-CB 4.1Å; I143-Q151 HydrophobicContact CB-CG 3.58Å; I143-Q151 HydrophobicContact CD1-CG 4.11Å; I143-Q151 HydrophobicContact CG1-CG 4.35Å; I143-Q151 HydrophobicContact CG2-CG 3.87Å; I143-Q151 PolarHBondContact N-O 3.47Å; I143-Q151 PolarHBondContact O-N 2.91Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.4Å; N145-Q151 PolarHBondContact OD1-OE1 3.09Å |
| 152 | I | 98.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 75.8 Ų | 75.8 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 142.1 | 174.3 | -170.2 | 169.5 | 0 | 0 | 0 | 109.3 | V114 F117 I122 V124 L142 V154 | V114-I152 HydrophobicContact CB-CG2 3.95Å; V114-I152 PolarHBondContact N-O 3.32Å; V114-I152 PolarHBondContact O-N 3.02Å; F117-I152 HydrophobicContact CE1-CG2 4.12Å; F117-I152 HydrophobicContact CZ-CG2 4.11Å; I122-I152 HydrophobicContact CG2-CG2 4.25Å; V124-I152 HydrophobicContact CG2-CG2 4.3Å; L142-I152 HydrophobicContact CD1-CB 4.27Å; I152-V154 HydrophobicContact CD1-CG2 4.42Å; I152-V154 HydrophobicContact CG1-CG2 4.29Å |
| 153 | L | 98.1 | Very high | 94.2 | Very high | 54 Ų | 54 | 75.4 Ų | 75.4 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.8 | 171.6 | -52.1 | 179.3 | 0 | 0 | 0 | 108.4 | I111 S113 S139 T140 | I111-L153 HydrophobicContact CG2-CB 4.15Å; I111-L153 HydrophobicContact CG2-CD2 4.39Å; S113-L153 WeakPolarHBondContact OG-CD2 3.24Å; S139-L153 CarbonylContact C-O 3.55Å; S139-L153 VanDerWaalsContact CA-O 3.28Å; S139-L153 WeakPolarHBondContact CA-O 3.37Å; T140-L153 HydrophobicContact CG2-CB 3.88Å; T140-L153 HydrophobicContact CG2-CD1 4.28Å; T140-L153 HydrophobicContact CG2-CG 4.29Å; T140-L153 PolarHBondContact N-O 3.28Å; T140-L153 PolarHBondContact OG1-N 3.42Å; T140-L153 VanDerWaalsContact OG1-N 3.15Å |
| 154 | V | 98.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 73.7 Ų | 73.7 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113.6 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | C112 V124 W126 V137 I152 | C112-V154 PolarHBondContact N-O 3.27Å; C112-V154 PolarHBondContact O-N 3.24Å; V124-V154 HydrophobicContact CB-CB 4.49Å; V124-V154 HydrophobicContact CB-CG2 3.78Å; V124-V154 HydrophobicContact CG1-CB 3.83Å; V124-V154 HydrophobicContact CG1-CG1 4.26Å; V124-V154 HydrophobicContact CG1-CG2 3.61Å; V124-V154 HydrophobicContact CG2-CG2 4.29Å; W126-V154 PolarHBondContact NE1-O 2.94Å; W126-V154 VanDerWaalsContact NE1-O 3.11Å; V137-V154 HydrophobicContact CG1-CG1 3.67Å; I152-V154 HydrophobicContact CD1-CG2 4.42Å; I152-V154 HydrophobicContact CG1-CG2 4.29Å |
| 155 | M | 96.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 68.2 Ų | 68.2 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.9 | -171.5 | -58.5 | 162.6 | -76.8 | 0 | 0 | 109.3 | L109 L110 I111 V137 V138 T140 | L109-M155 HydrophobicContact CD1-CB 4.03Å; L109-M155 HydrophobicContact CD2-CB 4.12Å; L109-M155 HydrophobicContact CD2-CG 4.22Å; L109-M155 HydrophobicContact CD2-SD 4.25Å; L109-M155 HydrophobicContact CG-CB 4.15Å; L110-M155 CarbonylContact O-C 3.6Å; L110-M155 WeakPolarHBondContact O-CA 3.49Å; I111-M155 HydrophobicContact CB-CG 4.48Å; I111-M155 HydrophobicContact CG1-CG 4.09Å; I111-M155 HydrophobicContact CG2-CG 4.15Å; V137-M155 CarbonylContact C-O 3.55Å; V137-M155 VanDerWaalsContact CA-O 3.28Å; V137-M155 WeakPolarHBondContact CA-O 3.42Å; V138-M155 HydrophobicContact CB-CE 4.29Å; V138-M155 HydrophobicContact CG1-CE 4.1Å; V138-M155 PolarHBondContact N-O 3.48Å; V138-M155 WeakPolarHBondContact O-CE 3.5Å; V138-M155 PolarHBondContact O-N 3.38Å; T140-M155 HydrophobicContact CG2-CE 4.39Å |
| 156 | L | 96 | Very high | 93.8 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 119.4 | 174.5 | 172.5 | 67.2 | 0 | 0 | 0 | 108.8 | L109 L110 W126 E133 V137 M158 Y166 | L109-L156 VanDerWaalsContact CA-O 3.32Å; L109-L156 WeakPolarHBondContact CA-O 3.46Å; L110-L156 PolarHBondContact N-O 3Å; L110-L156 PolarHBondContact O-N 3.19Å; W126-L156 HydrophobicContact CB-CD2 4.18Å; W126-L156 HydrophobicContact CD2-CB 3.92Å; W126-L156 HydrophobicContact CD2-CD2 4.01Å; W126-L156 HydrophobicContact CE3-CD2 4.08Å; W126-L156 HydrophobicContact CG-CB 3.9Å; W126-L156 HydrophobicContact CG-CD2 4.09Å; W126-L156 HydrophobicContact CG-CG 4.45Å; W126-L156 HydrophobicContact CZ2-CB 4.36Å; E133-L156 HydrophobicContact CB-CD1 4.3Å; V137-L156 HydrophobicContact CG2-CD1 3.66Å; L156-M158 HydrophobicContact CG-CB 4.44Å; L156-Y166 HydrophobicContact CD2-CD1 3.67Å; L156-Y166 HydrophobicContact CD2-CE1 4.07Å |
| 157 | E | 92.7 | Very high | 93.9 | Very high | 132 Ų | 132 | 63 Ų | 63 | 62% | 0.617 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.3 | 165.6 | -172.6 | 172.6 | -167.2 | 0 | 0 | 109.7 | N108 L109 G136 | N108-E157 CarbonylContact O-C 3.58Å; N108-E157 VanDerWaalsContact O-CA 3.31Å; N108-E157 WeakPolarHBondContact O-CA 3.49Å; L109-E157 HydrophobicContact CD1-CB 4.33Å; G136-E157 PolarHBondContact O-N 3.29Å |
| 158 | M | 88.2 | Confident | 94.1 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | trans | -141.7 | 158.1 | -173.7 | 62.2 | 80.1 | 152.7 | 0 | 0 | 112.5 | H107 N108 L110 L156 P160 Y166 W183 | H107-M158 VanDerWaalsContact O-CE 3.22Å; H107-M158 WeakPolarHBondContact O-CE 3.42Å; H107-M158 VanDerWaalsContact O-SD 3.35Å; N108-M158 WeakPolarHBondContact CA-O 3.49Å; N108-M158 PolarHBondContact O-N 3.36Å; L110-M158 HydrophobicContact CD1-CE 3.96Å; L110-M158 HydrophobicContact CD1-CG 4.22Å; L110-M158 HydrophobicContact CD2-CE 4Å; L110-M158 HydrophobicContact CG-CE 3.69Å; L110-M158 HydrophobicContact CG-CG 4.11Å; L156-M158 HydrophobicContact CG-CB 4.44Å; M158-P160 HydrophobicContact CE-CB 3.87Å; M158-P160 HydrophobicContact CE-CG 3.91Å; M158-P160 HydrophobicContact SD-CB 3.58Å; M158-P160 VanDerWaalsContact SD-CB 3.58Å; M158-P160 WeakPolarHBondContact SD-CD 3.14Å; M158-P160 HydrophobicContact SD-CG 3.52Å; M158-P160 VanDerWaalsContact SD-CG 3.52Å; M158-Y166 HydrophobicContact CB-CE1 3.82Å; M158-Y166 HydrophobicContact CG-CE1 4.35Å; M158-W183 HydrophobicContact CE-CE3 4.48Å; M158-W183 HydrophobicContact CE-CH2 3.63Å; M158-W183 HydrophobicContact CE-CZ2 4.49Å; M158-W183 HydrophobicContact CE-CZ3 3.63Å | ||
| 159 | T | 87.3 | Confident | 94.2 | Very high | 114 Ų | 114 | 53.5 Ų | 53.5 | 70% | 0.699 | 28% | 0.278 | S | S | * | . | trans | -125.2 | 90.2 | 173.3 | -52.5 | 0 | 0 | 0 | 0 | 107.4 | Q161 | T159-Q161 PolarHBondContact O-N 2.92Š| ||
| 160 | P | 83.6 | Confident | 94.3 | Very high | 60 Ų | 60 | 53 Ų | 53 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | trans | -73.1 | 131.2 | -161 | 27.3 | -27.2 | 0 | 0 | 0 | 110.9 | M158 | M158-P160 HydrophobicContact CE-CB 3.87Å; M158-P160 HydrophobicContact CE-CG 3.91Å; M158-P160 HydrophobicContact SD-CB 3.58Å; M158-P160 VanDerWaalsContact SD-CB 3.58Å; M158-P160 WeakPolarHBondContact SD-CD 3.14Å; M158-P160 HydrophobicContact SD-CG 3.52Å; M158-P160 VanDerWaalsContact SD-CG 3.52Å | ||
| 161 | Q | 87.1 | Confident | 94.3 | Very high | 146 Ų | 146 | 55.6 Ų | 55.6 | 68% | 0.682 | 29% | 0.287 | S | S | * | . | trans | -105.5 | 152.1 | 170.2 | -57.3 | -170.8 | 27.3 | 0 | 0 | 110.3 | T159 G163 D164 | T159-Q161 PolarHBondContact O-N 2.92Å; Q161-G163 PolarHBondContact O-N 3.26Å; Q161-G163 VanDerWaalsContact O-N 3.1Å; Q161-D164 WeakPolarHBondContact CB-OD2 3.36Å; Q161-D164 PolarHBondContact N-OD2 3.47Å; Q161-D164 WeakPolarHBondContact O-CB 3.14Å; Q161-D164 PolarHBondContact O-N 3.41Å; Q161-D164 VanDerWaalsContact O-N 3.11Å | ||
| 162 | R | 87.3 | Confident | 94.3 | Very high | 262 Ų | 262 | 53.3 Ų | 53.3 | 99% | 0.989 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 119.3 | 177.4 | 177.2 | -178.2 | -98.8 | -170.2 | -6.2 | 109 | ||
| 163 | G | 90.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | -4.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q161 | Q161-G163 PolarHBondContact O-N 3.26Å; Q161-G163 VanDerWaalsContact O-N 3.1Å |
| 164 | D | 92.8 | Very high | 94.2 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | trans | -62.7 | 140.9 | 167 | -76.1 | -30.2 | 0 | 0 | 0 | 110.7 | Q128 N129 Q161 Y166 | Q128-D164 VanDerWaalsContact NE2-CG 3.34Å; Q128-D164 PolarHBondContact NE2-OD1 2.03Å; Q128-D164 PolarHBondContact NE2-OD2 2.95Å; N129-D164 PolarHBondContact ND2-OD1 3.45Å; N129-D164 WeakPolarHBondContact OD1-CA 3.46Å; Q161-D164 WeakPolarHBondContact CB-OD2 3.36Å; Q161-D164 PolarHBondContact N-OD2 3.47Å; Q161-D164 WeakPolarHBondContact O-CB 3.14Å; Q161-D164 PolarHBondContact O-N 3.41Å; Q161-D164 VanDerWaalsContact O-N 3.11Å; D164-Y166 HydrophobicContact CB-CD2 4.2Å; D164-Y166 HydrophobicContact CB-CE2 3.46Å; D164-Y166 VanDerWaalsContact CB-CE2 3.46Å; D164-Y166 PolarHBondContact OD2-OH 3.24Å; D164-Y166 VanDerWaalsContact OD2-OH 3.06Å | ||
| 165 | V | 95.7 | Very high | 94.2 | Very high | 56 Ų | 56 | 55.1 Ų | 55.1 | 34% | 0.339 | 29% | 0.292 | S | S | . | . | trans | -119.5 | 125 | 169.7 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | Q128 N129 E182 | Q128-V165 WeakPolarHBondContact CA-O 3.49Å; N129-V165 PolarHBondContact N-O 3Å; N129-V165 PolarHBondContact OD1-N 2.92Å; V165-E182 HydrophobicContact CG1-CB 4.22Å; V165-E182 HydrophobicContact CG1-CG 4.22Å | ||
| 166 | Y | 96.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.8 | 178.5 | -64.1 | -92.8 | 0 | 0 | 0 | 110 | L110 F127 Q128 L156 M158 D164 E182 W183 | L110-Y166 HydrophobicContact CD1-CD1 3.94Å; L110-Y166 HydrophobicContact CD1-CD2 3.88Å; L110-Y166 HydrophobicContact CD1-CG 3.5Å; F127-Y166 CarbonylContact O-C 3.59Å; F127-Y166 WeakPolarHBondContact O-CA 3.47Å; Q128-Y166 HydrophobicContact CB-CD1 4.23Å; Q128-Y166 HydrophobicContact CB-CE1 4.19Å; Q128-Y166 HydrophobicContact CG-CD1 4.25Å; Q128-Y166 HydrophobicContact CG-CE1 3.87Å; Q128-Y166 PolarHBondContact NE2-OH 3.42Å; L156-Y166 HydrophobicContact CD2-CD1 3.67Å; L156-Y166 HydrophobicContact CD2-CE1 4.07Å; M158-Y166 HydrophobicContact CB-CE1 3.82Å; M158-Y166 HydrophobicContact CG-CE1 4.35Å; D164-Y166 HydrophobicContact CB-CD2 4.2Å; D164-Y166 HydrophobicContact CB-CE2 3.46Å; D164-Y166 VanDerWaalsContact CB-CE2 3.46Å; D164-Y166 PolarHBondContact OD2-OH 3.24Å; D164-Y166 VanDerWaalsContact OD2-OH 3.06Å; Y166-E182 CarbonylContact O-C 3.48Å; Y166-E182 WeakPolarHBondContact O-CA 3.43Å; Y166-W183 AromaticContact CD2-CE3 3.76Å; Y166-W183 HydrophobicContact CD2-CE3 3.76Å; Y166-W183 AromaticContact CD2-CZ3 3.93Å; Y166-W183 HydrophobicContact CD2-CZ3 3.93Å; Y166-W183 HydrophobicContact CE2-CE3 4.46Å; Y166-W183 HydrophobicContact CE2-CZ3 4.17Å; Y166-W183 PolarHBondContact N-O 2.97Å; Y166-W183 VanDerWaalsContact N-O 3.09Å; Y166-W183 PolarHBondContact O-N 3.29Å |
| 167 | T | 98.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.9 | -175.1 | -49.5 | 0 | 0 | 0 | 0 | 110.7 | W126 F127 T180 V181 E182 | W126-T167 CarbonylContact C-O 3.57Å; W126-T167 WeakPolarHBondContact CA-O 3.4Å; F127-T167 PolarHBondContact N-O 3.1Å; F127-T167 PolarHBondContact O-N 2.92Å; T167-T180 HydrophobicContact CG2-CG2 4.29Å; T167-V181 CarbonylContact C-O 3.53Å; T167-V181 VanDerWaalsContact CA-O 3.31Å; T167-V181 WeakPolarHBondContact CA-O 3.36Å; T167-E182 HydrophobicContact CG2-CG 4.18Å |
| 168 | C | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.4 | 165.8 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | I96 C112 W126 T180 V181 | I96-C168 HydrophobicContact CD1-CB 3.72Å; I96-C168 HydrophobicContact CG1-CB 3.97Å; C112-C168 HydrophobicContact CB-CB 3.62Å; C112-C168 WeakPolarHBondContact CB-SG 3.29Å; C112-C168 WeakPolarHBondContact SG-CB 3.1Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 2.98Å; W126-C168 HydrophobicContact CE3-CB 4.3Å; W126-C168 HydrophobicContact CH2-CB 4.15Å; W126-C168 HydrophobicContact CZ2-CB 4.48Å; W126-C168 HydrophobicContact CZ3-CB 4.05Å; C168-T180 WeakPolarHBondContact O-CA 3.34Å; C168-V181 PolarHBondContact N-O 3.41Å; C168-V181 PolarHBondContact O-N 3.16Å |
| 169 | H | 98.6 | Very high | 95.1 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.2 | -177.3 | -178.2 | -161.8 | 0 | 0 | 0 | 110.1 | V124 R125 F127 P178 I179 T180 | V124-H169 CarbonylContact C-O 3.57Å; V124-H169 WeakPolarHBondContact CA-O 3.47Å; R125-H169 HydrophobicContact CB-CB 4.49Å; R125-H169 PolarHBondContact N-O 2.96Å; R125-H169 PolarHBondContact NH2-CE1 3.26Å; R125-H169 PolarHBondContact NH2-ND1 2.92Å; R125-H169 PolarHBondContact O-N 2.95Å; F127-H169 HydrophobicContact CD2-CB 3.89Å; F127-H169 HydrophobicContact CE2-CB 3.68Å; F127-H169 AromaticContact CE2-ND1 3.51Å; F127-H169 AromaticContact CZ-ND1 3.92Å; H169-P178 VanDerWaalsContact CD2-CB 3.41Å; H169-P178 WeakPolarHBondContact CD2-CB 3.43Å; H169-P178 WeakPolarHBondContact NE2-CB 3.4Å; H169-P178 WeakPolarHBondContact NE2-CG 3.23Å; H169-I179 WeakPolarHBondContact CA-O 3.47Å; H169-T180 HydrophobicContact CB-CG2 4.45Å |
| 170 | V | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.9 | -173.9 | -179 | 0 | 0 | 0 | 0 | 110.6 | P92 V94 V114 I122 K123 V124 P178 I179 | P92-V170 HydrophobicContact CG-CG1 4.01Å; V94-V170 HydrophobicContact CG1-CG2 4.02Å; V94-V170 HydrophobicContact CG2-CB 4.14Å; V94-V170 HydrophobicContact CG2-CG1 4.39Å; V94-V170 HydrophobicContact CG2-CG2 3.76Å; V114-V170 HydrophobicContact CG1-CG1 4.08Å; V114-V170 HydrophobicContact CG2-CG2 3.86Å; I122-V170 HydrophobicContact CD1-CG1 3.85Å; I122-V170 HydrophobicContact CG1-CG1 4.09Å; K123-V170 WeakPolarHBondContact O-CA 3.4Å; V124-V170 HydrophobicContact CG1-CG2 4.21Å; V124-V170 HydrophobicContact CG2-CG1 4.45Å; V124-V170 HydrophobicContact CG2-CG2 4.26Å; V170-P178 WeakPolarHBondContact O-CA 3.39Å; V170-P178 WeakPolarHBondContact O-CB 3.46Å; V170-I179 HydrophobicContact CB-CB 4.43Å; V170-I179 PolarHBondContact N-O 3.38Å; V170-I179 PolarHBondContact O-N 2.94Å |
| 171 | E | 98.8 | Very high | 96.2 | Very high | 64 Ų | 64 | 63 Ų | 63 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.6 | 169.5 | -61.7 | 168.6 | -129.9 | 0 | 0 | 109.3 | K123 R125 P178 | K123-E171 HydrophobicContact CB-CB 4.24Å; K123-E171 PolarHBondContact N-O 2.95Å; K123-E171 IonicContact NZ-OE1 3.87Å; K123-E171 PolarHBondContact NZ-OE1 2.82Å; K123-E171 PolarHBondContact O-N 3.03Å; R125-E171 IonicContact CZ-OE1 2.84Å; R125-E171 IonicContact NE-OE1 3.39Å; R125-E171 IonicContact NH2-OE1 3.38Å; R125-E171 PolarHBondContact NH2-OE1 2.84Å; E171-P178 HydrophobicContact CG-CB 4.13Å; E171-P178 HydrophobicContact CG-CG 4.01Å |
| 172 | H | 98.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | trans | -149.3 | 142.4 | 179.5 | -179.2 | -104 | 0 | 0 | 0 | 110.4 | V90 P92 F117 Y118 P119 Q121 I122 S174 L175 | V90-H172 PolarHBondContact O-CE1 3.23Å; V90-H172 VanDerWaalsContact O-CE1 3.28Å; P92-H172 HydrophobicContact CG-CB 4.31Å; F117-H172 AromaticContact CD2-CD2 3.86Å; F117-H172 AromaticContact CD2-NE2 3.67Å; Y118-H172 VanDerWaalsContact C-CE1 3.43Å; Y118-H172 PolarHBondContact O-CE1 3.41Å; P119-H172 PolarHBondContact O-NE2 3.21Å; Q121-H172 PolarHBondContact O-CD2 2.61Å; I122-H172 HydrophobicContact CD1-CB 4.45Å; I122-H172 HydrophobicContact CG1-CB 4.26Å; H172-S174 PolarHBondContact CE1-OG 2.91Å; H172-S174 VanDerWaalsContact ND1-CB 3.32Å; H172-S174 WeakPolarHBondContact ND1-CB 3.4Å; H172-S174 PolarHBondContact ND1-N 3.41Å; H172-S174 PolarHBondContact ND1-OG 3.09Å; H172-S174 PolarHBondContact O-N 2.9Å; H172-L175 HydrophobicContact CB-CD1 3.97Å; H172-L175 HydrophobicContact CB-CG 4.26Å; H172-L175 WeakPolarHBondContact O-CB 3.38Å; H172-L175 PolarHBondContact O-N 3.15Å | ||
| 173 | P | 97.4 | Very high | 97 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 47% | 0.474 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -7.4 | -176.5 | -25.8 | 35.6 | 0 | 0 | 0 | 116.4 | Q121 | Q121-P173 VanDerWaalsContact O-CD 3.26Å; Q121-P173 WeakPolarHBondContact O-CD 3.4Å |
| 174 | S | 97.4 | Very high | 97.3 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -19.1 | 171.4 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | V90 E91 H172 | V90-S174 PolarHBondContact O-OG 3.45Å; E91-S174 VanDerWaalsContact CA-OG 3.25Å; E91-S174 WeakPolarHBondContact CA-OG 3.31Å; E91-S174 WeakPolarHBondContact CG-OG 3.42Å; H172-S174 PolarHBondContact CE1-OG 2.91Å; H172-S174 VanDerWaalsContact ND1-CB 3.32Å; H172-S174 WeakPolarHBondContact ND1-CB 3.4Å; H172-S174 PolarHBondContact ND1-N 3.41Å; H172-S174 PolarHBondContact ND1-OG 3.09Å; H172-S174 PolarHBondContact O-N 2.9Å |
| 175 | L | 97.9 | Very high | 97.5 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | trans | -94.2 | 139.6 | -170.9 | -62 | 171.7 | 0 | 0 | 0 | 110.4 | E91 P92 H172 S177 I179 | E91-L175 HydrophobicContact CB-CD2 3.99Å; E91-L175 HydrophobicContact CG-CD2 3.73Å; P92-L175 HydrophobicContact CG-CD1 4.19Å; H172-L175 HydrophobicContact CB-CD1 3.97Å; H172-L175 HydrophobicContact CB-CG 4.26Å; H172-L175 WeakPolarHBondContact O-CB 3.38Å; H172-L175 PolarHBondContact O-N 3.15Å; L175-S177 WeakPolarHBondContact CB-O 3.41Å; L175-I179 HydrophobicContact CD1-CD1 3.91Å; L175-I179 HydrophobicContact CD1-CG1 3.86Å; L175-I179 HydrophobicContact CD2-CD1 3.79Å; L175-I179 HydrophobicContact CD2-CG1 4.07Å | ||
| 176 | Q | 97.1 | Very high | 97.6 | Very high | 207 Ų | 207 | 56.9 Ų | 56.9 | 97% | 0.967 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -77.6 | -33.8 | 171.3 | -63.9 | -177.8 | 17.2 | 0 | 0 | 111.8 | ||
| 177 | S | 97.7 | Very high | 97.7 | Very high | 84 Ų | 84 | 60.1 Ų | 60.1 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -134.8 | 149.4 | 174.8 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | L175 | L175-S177 WeakPolarHBondContact CB-O 3.41Š|
| 178 | P | 98 | Very high | 97.7 | Very high | 63 Ų | 63 | 63.2 Ų | 63.2 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | trans | -59.6 | 152.2 | 178.4 | -21 | 33 | 0 | 0 | 0 | 112.7 | H169 V170 E171 | H169-P178 VanDerWaalsContact CD2-CB 3.41Å; H169-P178 WeakPolarHBondContact CD2-CB 3.43Å; H169-P178 WeakPolarHBondContact NE2-CB 3.4Å; H169-P178 WeakPolarHBondContact NE2-CG 3.23Å; V170-P178 WeakPolarHBondContact O-CA 3.39Å; V170-P178 WeakPolarHBondContact O-CB 3.46Å; E171-P178 HydrophobicContact CG-CB 4.13Å; E171-P178 HydrophobicContact CG-CG 4.01Å | ||
| 179 | I | 98.3 | Very high | 97.6 | Very high | 44 Ų | 44 | 67.4 Ų | 67.4 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.4 | 170 | -68.2 | 169.8 | 0 | 0 | 0 | 108.4 | P92 V94 H169 V170 L175 V181 | P92-I179 HydrophobicContact CG-CD1 4.19Å; V94-I179 HydrophobicContact CB-CG2 4.01Å; V94-I179 HydrophobicContact CG2-CB 4.29Å; V94-I179 HydrophobicContact CG2-CD1 4.17Å; V94-I179 HydrophobicContact CG2-CG2 3.81Å; H169-I179 WeakPolarHBondContact CA-O 3.47Å; V170-I179 HydrophobicContact CB-CB 4.43Å; V170-I179 PolarHBondContact N-O 3.38Å; V170-I179 PolarHBondContact O-N 2.94Å; L175-I179 HydrophobicContact CD1-CD1 3.91Å; L175-I179 HydrophobicContact CD1-CG1 3.86Å; L175-I179 HydrophobicContact CD2-CD1 3.79Å; L175-I179 HydrophobicContact CD2-CG1 4.07Å; I179-V181 HydrophobicContact CG2-CG2 3.94Å |
| 180 | T | 97.9 | Very high | 97.5 | Very high | 88 Ų | 88 | 70 Ų | 70 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.4 | 171.5 | 51.7 | 0 | 0 | 0 | 0 | 109.1 | T167 C168 H169 | T167-T180 HydrophobicContact CG2-CG2 4.29Å; C168-T180 WeakPolarHBondContact O-CA 3.34Å; H169-T180 HydrophobicContact CB-CG2 4.45Å |
| 181 | V | 98 | Very high | 97.5 | Very high | 38 Ų | 38 | 75.4 Ų | 75.4 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132 | 174 | -178 | 0 | 0 | 0 | 0 | 107.7 | V94 I96 T167 C168 I179 | V94-V181 HydrophobicContact CB-CG2 3.84Å; V94-V181 HydrophobicContact CG1-CB 4.24Å; V94-V181 HydrophobicContact CG1-CG2 3.63Å; I96-V181 HydrophobicContact CD1-CB 4.08Å; I96-V181 HydrophobicContact CD1-CG1 3.95Å; I96-V181 WeakPolarHBondContact CD1-O 2.81Å; I96-V181 HydrophobicContact CG1-CB 4.29Å; I96-V181 HydrophobicContact CG1-CG1 3.98Å; T167-V181 CarbonylContact C-O 3.53Å; T167-V181 VanDerWaalsContact CA-O 3.31Å; T167-V181 WeakPolarHBondContact CA-O 3.36Å; C168-V181 PolarHBondContact N-O 3.41Å; C168-V181 PolarHBondContact O-N 3.16Å; I179-V181 HydrophobicContact CG2-CG2 3.94Å |
| 182 | E | 96.9 | Very high | 97.3 | Very high | 134 Ų | 134 | 76.3 Ų | 76.3 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 150.3 | -179.9 | -62 | -179.8 | 174.2 | 0 | 0 | 110.5 | V165 Y166 T167 | V165-E182 HydrophobicContact CG1-CB 4.22Å; V165-E182 HydrophobicContact CG1-CG 4.22Å; Y166-E182 CarbonylContact O-C 3.48Å; Y166-E182 WeakPolarHBondContact O-CA 3.43Å; T167-E182 HydrophobicContact CG2-CG 4.18Å |
| 183 | W | 92.8 | Very high | 97.2 | Very high | 126 Ų | 126 | 82.3 Ų | 82.3 | 48% | 0.477 | 44% | 0.439 | S | S | . | . | trans | -131.6 | 0 | 170.5 | 179.2 | 91.9 | 0 | 0 | 0 | 110.3 | I96 L110 M158 Y166 | I96-W183 HydrophobicContact CB-CB 4.22Å; I96-W183 HydrophobicContact CD1-CB 4.2Å; I96-W183 HydrophobicContact CG2-CB 3.64Å; I96-W183 HydrophobicContact CG2-CG 3.96Å; L110-W183 HydrophobicContact CD1-CD2 4.14Å; L110-W183 HydrophobicContact CD1-CE3 3.7Å; L110-W183 HydrophobicContact CD1-CZ3 4.19Å; L110-W183 HydrophobicContact CD2-CD2 3.53Å; L110-W183 HydrophobicContact CD2-CE3 3.82Å; L110-W183 HydrophobicContact CD2-CG 3.89Å; L110-W183 HydrophobicContact CD2-CH2 4.38Å; L110-W183 HydrophobicContact CD2-CZ2 4.15Å; L110-W183 HydrophobicContact CD2-CZ3 4.23Å; L110-W183 HydrophobicContact CG-CD2 4.49Å; L110-W183 HydrophobicContact CG-CE3 4.36Å; M158-W183 HydrophobicContact CE-CE3 4.48Å; M158-W183 HydrophobicContact CE-CH2 3.63Å; M158-W183 HydrophobicContact CE-CZ2 4.49Å; M158-W183 HydrophobicContact CE-CZ3 3.63Å; Y166-W183 AromaticContact CD2-CE3 3.76Å; Y166-W183 HydrophobicContact CD2-CE3 3.76Å; Y166-W183 AromaticContact CD2-CZ3 3.93Å; Y166-W183 HydrophobicContact CD2-CZ3 3.93Å; Y166-W183 HydrophobicContact CE2-CE3 4.46Å; Y166-W183 HydrophobicContact CE2-CZ3 4.17Å; Y166-W183 PolarHBondContact N-O 2.97Å; Y166-W183 VanDerWaalsContact N-O 3.09Å; Y166-W183 PolarHBondContact O-N 3.29Å |
Retrieved 183 of 183 residues in 367.5 ms
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