| 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 | Confident | 95.9 | Very high | 213 Ų | 213 | 97 Ų | 97 | 100% | 1.139 | 49% | 0.49 | S | S | * | . | 0 | 149.8 | 0 | -56 | -20 | 0 | 0 | 0 | 111.7 | |||||
| 2 | F | 93.9 | Very high | 95.9 | Very high | 130 Ų | 130 | 95 Ų | 95 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | trans | -136.7 | 140.4 | -178.8 | 173.6 | -102.3 | 0 | 0 | 0 | 109.8 | Y27 N28 | F2-Y27 AromaticContact CE1-CD1 3.43Å; F2-Y27 HydrophobicContact CE1-CD1 3.43Å; F2-Y27 VanDerWaalsContact CE1-CD1 3.43Å; F2-Y27 AromaticContact CE1-CE1 3.41Å; F2-Y27 HydrophobicContact CE1-CE1 3.41Å; F2-Y27 VanDerWaalsContact CE1-CE1 3.41Å; F2-Y27 AromaticContact CE2-CD1 3.54Å; F2-Y27 HydrophobicContact CE2-CD1 3.54Å; F2-Y27 HydrophobicContact CE2-CE1 4.21Å; F2-Y27 AromaticContact CE2-CG 3.95Å; F2-Y27 HydrophobicContact CE2-CG 3.95Å; F2-Y27 AromaticContact CZ-CD1 2.83Å; F2-Y27 HydrophobicContact CZ-CD1 2.83Å; F2-Y27 HydrophobicContact CZ-CD2 4.48Å; F2-Y27 AromaticContact CZ-CE1 3.11Å; F2-Y27 HydrophobicContact CZ-CE1 3.11Å; F2-Y27 AromaticContact CZ-CG 3.61Å; F2-Y27 HydrophobicContact CZ-CG 3.61Å; F2-N28 WeakPolarHBondContact CD2-OD1 3.38Å | ||
| 3 | V | 97.8 | Very high | 95.9 | Very high | 79 Ų | 79 | 94.4 Ų | 94.4 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | trans | -124 | 133.1 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | Q5 Y27 N28 | V3-Q5 HydrophobicContact CG1-CG 3.91Å; V3-Y27 CarbonylContact O-C 3.56Å; V3-N28 PolarHBondContact N-OD1 2.92Å; V3-N28 PolarHBondContact O-N 2.95Å | ||
| 4 | Y | 97.3 | Very high | 95.8 | Very high | 104 Ų | 104 | 96.6 Ų | 96.6 | 41% | 0.408 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134.8 | 167.1 | -179.7 | -111.5 | 0 | 0 | 0 | 110 | H25 I26 Y27 Y32 | Y4-H25 HydrophobicContact CE2-CB 4.35Å; Y4-H25 AromaticContact CZ-ND1 3.92Å; Y4-H25 PolarHBondContact OH-ND1 2.94Å; Y4-I26 WeakPolarHBondContact CA-O 3.3Å; Y4-I26 WeakPolarHBondContact CD2-O 3.33Å; Y4-Y27 AromaticContact CD2-CD1 3.32Å; Y4-Y27 HydrophobicContact CD2-CD1 3.32Å; Y4-Y27 AromaticContact CD2-CE1 3.08Å; Y4-Y27 HydrophobicContact CD2-CE1 3.08Å; Y4-Y27 HydrophobicContact CD2-CE2 4.3Å; Y4-Y27 HydrophobicContact CD2-CG 4.08Å; Y4-Y27 AromaticContact CD2-CZ 3.65Å; Y4-Y27 HydrophobicContact CE2-CD1 4.17Å; Y4-Y27 AromaticContact CE2-CE1 3.74Å; Y4-Y27 HydrophobicContact CE2-CE1 3.74Å; Y4-Y27 HydrophobicContact CE2-CE2 4.24Å; Y4-Y27 AromaticContact CE2-CZ 3.8Å; Y4-Y27 HydrophobicContact CG-CD1 4.1Å; Y4-Y27 AromaticContact CG-CE1 3.76Å; Y4-Y27 HydrophobicContact CG-CE1 3.76Å; Y4-Y32 AromaticContact CE2-CE1 3.91Å; Y4-Y32 HydrophobicContact CE2-CE1 3.91Å |
| 5 | Q | 98.4 | Very high | 95.4 | Very high | 70 Ų | 70 | 92.1 Ų | 92.1 | 33% | 0.327 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.3 | 177.8 | -51.9 | 170.1 | 83.9 | 0 | 0 | 110 | V3 I26 N28 | V3-Q5 HydrophobicContact CG1-CG 3.91Å; Q5-I26 HydrophobicContact CB-CB 4.19Å; Q5-I26 PolarHBondContact N-O 3.48Å; Q5-I26 PolarHBondContact O-N 2.92Å; Q5-N28 PolarHBondContact NE2-O 3.14Å |
| 6 | F | 97.6 | Very high | 95.4 | Very high | 123 Ų | 123 | 89.7 Ų | 89.7 | 54% | 0.539 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.5 | 169.6 | 176 | -89.6 | 0 | 0 | 0 | 108.4 | T23 R24 H25 | F6-T23 HydrophobicContact CD2-CG2 3.94Å; F6-T23 HydrophobicContact CE1-CG2 4.39Å; F6-T23 HydrophobicContact CE2-CG2 3.09Å; F6-T23 HydrophobicContact CZ-CG2 3.36Å; F6-R24 WeakPolarHBondContact CA-O 3.39Å; F6-H25 AromaticContact CD2-CE1 3.59Å; F6-H25 AromaticContact CD2-ND1 3.87Å; F6-H25 AromaticContact CD2-NE2 3.98Å; F6-H25 AromaticContact CE2-CE1 3.67Å; F6-H25 AromaticContact CE2-NE2 3.78Å |
| 7 | K | 98.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 92.8 Ų | 92.8 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 114.1 | 175.7 | -59.7 | -171 | 176.7 | -171.4 | 0 | 110 | L9 T23 R24 I26 | K7-L9 HydrophobicContact CB-CD2 4.37Å; K7-L9 HydrophobicContact CB-CG 4.26Å; K7-T23 CarbonylContact O-C 3.55Å; K7-T23 WeakPolarHBondContact O-CA 3.41Å; K7-R24 HydrophobicContact CB-CB 4.31Å; K7-R24 PolarHBondContact N-O 3.22Å; K7-R24 PolarHBondContact O-N 3.32Å; K7-I26 HydrophobicContact CD-CD1 4.01Å; K7-I26 HydrophobicContact CG-CD1 4.26Å |
| 8 | G | 97.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 95.9 Ų | 95.9 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 107.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 9 | L | 98 | Very high | 95.5 | Very high | 47 Ų | 47 | 91.4 Ų | 91.4 | 25% | 0.246 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.4 | -175.3 | -56.7 | 169.5 | 0 | 0 | 0 | 109.2 | K7 Y11 G21 V22 R24 | K7-L9 HydrophobicContact CB-CD2 4.37Å; K7-L9 HydrophobicContact CB-CG 4.26Å; L9-Y11 HydrophobicContact CB-CD2 4.45Å; L9-Y11 HydrophobicContact CB-CE2 3.71Å; L9-Y11 HydrophobicContact CD1-CE2 4.37Å; L9-Y11 WeakPolarHBondContact CD1-OH 3.41Å; L9-G21 CarbonylContact O-C 3.58Å; L9-G21 WeakPolarHBondContact O-CA 3.46Å; L9-V22 HydrophobicContact CB-CB 4.29Å; L9-V22 WeakPolarHBondContact CB-O 3.41Å; L9-V22 PolarHBondContact N-O 3.45Å; L9-V22 PolarHBondContact O-N 2.84Å; L9-R24 HydrophobicContact CD1-CG 4.22Å |
| 10 | C | 97.7 | Very high | 95.6 | Very high | 41 Ų | 41 | 91.4 Ų | 91.4 | 28% | 0.277 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.4 | 175.3 | -61.8 | 0 | 0 | 0 | 0 | 108.2 | F12 C74 | C10-F12 HydrophobicContact CB-CD2 4.42Å; C10-F12 HydrophobicContact CB-CE1 4.48Å; C10-F12 HydrophobicContact CB-CE2 3.46Å; C10-F12 VanDerWaalsContact CB-CE2 3.46Å; C10-F12 HydrophobicContact CB-CZ 3.5Å; C10-F12 VanDerWaalsContact CB-CZ 3.5Å; C10-F12 WeakPolarHBondContact O-CD2 3.48Å; C10-F12 WeakPolarHBondContact O-CE2 3.48Å; C10-C74 HydrophobicContact CB-CB 3.52Å; C10-C74 WeakPolarHBondContact CB-SG 3.4Å; C10-C74 WeakPolarHBondContact SG-CA 3.44Å; C10-C74 WeakPolarHBondContact SG-CB 3.12Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.15Å |
| 11 | Y | 97.2 | Very high | 95.7 | Very high | 118 Ų | 118 | 87.1 Ų | 87.1 | 46% | 0.463 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.3 | 177.7 | -60.3 | -86.8 | 0 | 0 | 0 | 109.1 | L9 V19 R20 V22 | L9-Y11 HydrophobicContact CB-CD2 4.45Å; L9-Y11 HydrophobicContact CB-CE2 3.71Å; L9-Y11 HydrophobicContact CD1-CE2 4.37Å; L9-Y11 WeakPolarHBondContact CD1-OH 3.41Å; Y11-V19 WeakPolarHBondContact O-CA 3.11Å; Y11-R20 PolarHBondContact N-O 3.18Å; Y11-R20 PolarHBondContact O-N 3.19Å; Y11-V22 HydrophobicContact CD2-CG2 4.19Å; Y11-V22 HydrophobicContact CE2-CB 4.22Å; Y11-V22 HydrophobicContact CE2-CG2 3.91Å |
| 12 | F | 96.1 | Very high | 96.5 | Very high | 73 Ų | 73 | 77.3 Ų | 77.3 | 32% | 0.32 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133 | -174.9 | -59.7 | -83.6 | 0 | 0 | 0 | 109.2 | C10 G15 V19 C74 Y78 | C10-F12 HydrophobicContact CB-CD2 4.42Å; C10-F12 HydrophobicContact CB-CE1 4.48Å; C10-F12 HydrophobicContact CB-CE2 3.46Å; C10-F12 VanDerWaalsContact CB-CE2 3.46Å; C10-F12 HydrophobicContact CB-CZ 3.5Å; C10-F12 VanDerWaalsContact CB-CZ 3.5Å; C10-F12 WeakPolarHBondContact O-CD2 3.48Å; C10-F12 WeakPolarHBondContact O-CE2 3.48Å; F12-G15 WeakPolarHBondContact CB-O 3.36Å; F12-V19 HydrophobicContact CD1-CG1 4.13Å; F12-V19 HydrophobicContact CD1-CG2 3.75Å; F12-V19 HydrophobicContact CE1-CG1 3.86Å; F12-V19 HydrophobicContact CE1-CG2 4.04Å; F12-C74 HydrophobicContact CE1-CB 4.21Å; F12-C74 HydrophobicContact CZ-CB 4.02Å; F12-C74 WeakPolarHBondContact CZ-O 3.38Å; F12-Y78 HydrophobicContact CB-CD2 4.34Å; F12-Y78 HydrophobicContact CB-CE2 4.19Å; F12-Y78 AromaticContact CD1-CD2 3.35Å; F12-Y78 HydrophobicContact CD1-CD2 3.35Å; F12-Y78 AromaticContact CD1-CE2 3.96Å; F12-Y78 HydrophobicContact CD1-CE2 3.96Å; F12-Y78 HydrophobicContact CD1-CG 4.06Å; F12-Y78 HydrophobicContact CD2-CD2 4.02Å; F12-Y78 AromaticContact CE1-CD2 3.51Å; F12-Y78 HydrophobicContact CE1-CD2 3.51Å; F12-Y78 AromaticContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE2-CD2 4.13Å; F12-Y78 AromaticContact CG-CD2 3.63Å; F12-Y78 HydrophobicContact CG-CD2 3.63Å; F12-Y78 AromaticContact CG-CE2 3.98Å; F12-Y78 HydrophobicContact CG-CE2 3.98Å; F12-Y78 AromaticContact CZ-CD2 3.9Å; F12-Y78 HydrophobicContact CZ-CD2 3.9Å; F12-Y78 HydrophobicContact CZ-CG 4.34Å |
| 13 | T | 95.8 | Very high | 96.7 | Very high | 87 Ų | 87 | 71.9 Ų | 71.9 | 53% | 0.534 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.9 | 175.1 | -54 | 0 | 0 | 0 | 0 | 108.8 | R18 | T13-R18 PolarHBondContact N-O 2.91Å; T13-R18 PolarHBondContact O-N 3.36Å |
| 14 | N | 93.6 | Very high | 96.7 | Very high | 125 Ų | 125 | 71.7 Ų | 71.7 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 59.3 | -171.2 | -159.4 | 25.2 | 0 | 0 | 0 | 112.2 | T16 E17 | N14-T16 PolarHBondContact O-N 3.29Å; N14-E17 HydrophobicContact CB-CB 4.23Å; N14-E17 PolarHBondContact ND2-OE2 3Å; N14-E17 WeakPolarHBondContact O-CB 3.49Å; N14-E17 PolarHBondContact O-N 2.78Å |
| 15 | G | 91.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 67.4 Ų | 67.4 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -120.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F12 Y78 | F12-G15 WeakPolarHBondContact CB-O 3.36Å; G15-Y78 WeakPolarHBondContact CA-OH 3.49Å |
| 16 | T | 94.9 | Very high | 96.8 | Very high | 53 Ų | 53 | 64.5 Ų | 64.5 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 11.9 | 177.2 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | N14 R75 Y78 | N14-T16 PolarHBondContact O-N 3.29Å; T16-R75 PolarHBondContact O-NH1 2.88Å; T16-Y78 HydrophobicContact CG2-CD1 3.32Å; T16-Y78 HydrophobicContact CG2-CD2 4.23Å; T16-Y78 HydrophobicContact CG2-CE1 3.63Å; T16-Y78 HydrophobicContact CG2-CE2 4.45Å; T16-Y78 HydrophobicContact CG2-CG 3.68Å |
| 17 | E | 93.9 | Very high | 96.8 | Very high | 143 Ų | 143 | 63 Ų | 63 | 67% | 0.668 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -52.9 | 179 | -171.7 | -176.9 | 163.9 | 0 | 0 | 111.5 | N14 | N14-E17 HydrophobicContact CB-CB 4.23Å; N14-E17 PolarHBondContact ND2-OE2 3Å; N14-E17 WeakPolarHBondContact O-CB 3.49Å; N14-E17 PolarHBondContact O-N 2.78Å |
| 18 | R | 96.3 | Very high | 96.7 | Very high | 148 Ų | 148 | 62.5 Ų | 62.5 | 56% | 0.558 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.4 | 171.8 | -176.3 | 178.9 | -178 | 130.7 | 2.4 | 110.2 | T13 D38 | T13-R18 PolarHBondContact N-O 2.91Å; T13-R18 PolarHBondContact O-N 3.36Å; R18-D38 IonicContact NH2-OD2 3.89Å; R18-D38 PolarHBondContact NH2-OD2 3.05Å |
| 19 | V | 97.8 | Very high | 96.6 | Very high | 11 Ų | 11 | 71.5 Ų | 71.5 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 124.1 | 176.4 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | Y11 F12 V70 C74 R75 | Y11-V19 WeakPolarHBondContact O-CA 3.11Å; F12-V19 HydrophobicContact CD1-CG1 4.13Å; F12-V19 HydrophobicContact CD1-CG2 3.75Å; F12-V19 HydrophobicContact CE1-CG1 3.86Å; F12-V19 HydrophobicContact CE1-CG2 4.04Å; V19-V70 HydrophobicContact CB-CG1 3.99Å; V19-V70 HydrophobicContact CG1-CG1 3.89Å; V19-C74 HydrophobicContact CG1-CB 3.55Å; V19-R75 HydrophobicContact CG2-CG 4.28Å |
| 20 | R | 97.7 | Very high | 96.6 | Very high | 90 Ų | 90 | 74.2 Ų | 74.2 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.4 | 175.2 | 179.5 | -178.1 | 172 | -159.7 | 2.8 | 109.7 | Y11 V22 D36 S37 D38 | Y11-R20 PolarHBondContact N-O 3.18Å; Y11-R20 PolarHBondContact O-N 3.19Å; R20-V22 HydrophobicContact CG-CG2 4.05Å; R20-D36 IonicContact CZ-OD1 3.46Å; R20-D36 IonicContact CZ-OD2 2.66Å; R20-D36 IonicContact NE-OD1 3.93Å; R20-D36 PolarHBondContact NE-OD1 2.86Å; R20-D36 IonicContact NE-OD2 3.99Å; R20-D36 PolarHBondContact NE-OD2 2.83Å; R20-D36 IonicContact NH2-OD1 3.75Å; R20-D36 IonicContact NH2-OD2 3.4Å; R20-D36 PolarHBondContact NH2-OD2 3.13Å; R20-S37 WeakPolarHBondContact CA-OG 3.3Å; R20-D38 IonicContact NE-OD2 2.93Å |
| 21 | G | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 73 Ų | 73 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L9 S37 | L9-G21 CarbonylContact O-C 3.58Å; L9-G21 WeakPolarHBondContact O-CA 3.46Å; G21-S37 PolarHBondContact N-OG 2.84Å; G21-S37 WeakPolarHBondContact O-CB 3.41Å; G21-S37 PolarHBondContact O-N 3Å; G21-S37 PolarHBondContact O-OG 2.81Å |
| 22 | V | 98.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 68.1 Ų | 68.1 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 122 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | L9 Y11 R20 R24 F35 | L9-V22 HydrophobicContact CB-CB 4.29Å; L9-V22 WeakPolarHBondContact CB-O 3.41Å; L9-V22 PolarHBondContact N-O 3.45Å; L9-V22 PolarHBondContact O-N 2.84Å; Y11-V22 HydrophobicContact CD2-CG2 4.19Å; Y11-V22 HydrophobicContact CE2-CB 4.22Å; Y11-V22 HydrophobicContact CE2-CG2 3.91Å; R20-V22 HydrophobicContact CG-CG2 4.05Å; V22-R24 HydrophobicContact CG1-CG 3.99Å; V22-F35 CarbonylContact C-O 3.55Å; V22-F35 VanDerWaalsContact CA-O 3.32Å; V22-F35 WeakPolarHBondContact CA-O 3.49Å |
| 23 | T | 98 | Very high | 96.8 | Very high | 17 Ų | 17 | 64.7 Ų | 64.7 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.2 | 172.9 | -64.5 | 0 | 0 | 0 | 0 | 109.2 | F6 K7 H25 R34 F35 | F6-T23 HydrophobicContact CD2-CG2 3.94Å; F6-T23 HydrophobicContact CE1-CG2 4.39Å; F6-T23 HydrophobicContact CE2-CG2 3.09Å; F6-T23 HydrophobicContact CZ-CG2 3.36Å; K7-T23 CarbonylContact O-C 3.55Å; K7-T23 WeakPolarHBondContact O-CA 3.41Å; T23-H25 WeakPolarHBondContact CG2-NE2 3.4Å; T23-R34 CarbonylContact O-C 3.58Å; T23-R34 WeakPolarHBondContact O-CA 3.31Å; T23-R34 WeakPolarHBondContact O-CB 3.28Å; T23-F35 PolarHBondContact N-O 2.93Å; T23-F35 PolarHBondContact O-N 3.28Å |
| 24 | R | 98.4 | Very high | 97 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.8 | 179.7 | -53.7 | 175.8 | 67 | -169.7 | -3.4 | 110.2 | F6 K7 L9 V22 I26 E31 | F6-R24 WeakPolarHBondContact CA-O 3.39Å; K7-R24 HydrophobicContact CB-CB 4.31Å; K7-R24 PolarHBondContact N-O 3.22Å; K7-R24 PolarHBondContact O-N 3.32Å; L9-R24 HydrophobicContact CD1-CG 4.22Å; V22-R24 HydrophobicContact CG1-CG 3.99Å; R24-I26 HydrophobicContact CB-CD1 4.31Å; R24-I26 HydrophobicContact CB-CG1 4.39Å; R24-E31 HydrophobicContact CB-CG 4.33Å; R24-E31 VanDerWaalsContact CG-OE1 3.32Å; R24-E31 WeakPolarHBondContact CG-OE1 3.1Å; R24-E31 IonicContact CZ-OE2 3.19Å; R24-E31 IonicContact NE-OE1 3.38Å; R24-E31 PolarHBondContact NE-OE1 3.49Å; R24-E31 IonicContact NE-OE2 2.9Å; R24-E31 PolarHBondContact NE-OE2 3Å; R24-E31 IonicContact NH2-OE2 2.65Å; R24-E31 PolarHBondContact NH2-OE2 3.27Å |
| 25 | H | 98.3 | Very high | 97.2 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.065 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.4 | 172.6 | -60.1 | -107.9 | 0 | 0 | 0 | 109 | Y4 F6 T23 E31 Y32 V33 W56 | Y4-H25 HydrophobicContact CE2-CB 4.35Å; Y4-H25 AromaticContact CZ-ND1 3.92Å; Y4-H25 PolarHBondContact OH-ND1 2.94Å; F6-H25 AromaticContact CD2-CE1 3.59Å; F6-H25 AromaticContact CD2-ND1 3.87Å; F6-H25 AromaticContact CD2-NE2 3.98Å; F6-H25 AromaticContact CE2-CE1 3.67Å; F6-H25 AromaticContact CE2-NE2 3.78Å; T23-H25 WeakPolarHBondContact CG2-NE2 3.4Å; H25-E31 WeakPolarHBondContact O-CA 3.45Å; H25-Y32 HydrophobicContact CB-CD1 4.21Å; H25-Y32 HydrophobicContact CB-CE1 3.44Å; H25-Y32 VanDerWaalsContact CB-CE1 3.44Å; H25-Y32 WeakPolarHBondContact O-CD1 3.18Å; H25-Y32 PolarHBondContact O-N 3.28Å; H25-Y32 VanDerWaalsContact O-N 3.09Å; H25-V33 HydrophobicContact CB-CG1 3.6Å; H25-V33 PolarHBondContact N-O 2.85Å; H25-W56 AromaticContact CD2-CZ3 3.85Å; H25-W56 AromaticContact CE1-CH2 3.56Å; H25-W56 AromaticContact CE1-CZ3 3.91Å; H25-W56 AromaticContact CG-CH2 3.95Å; H25-W56 AromaticContact ND1-CH2 3.63Å; H25-W56 AromaticContact NE2-CH2 3.87Å; H25-W56 AromaticContact NE2-CZ3 3.72Å |
| 26 | I | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.8 | -166.6 | -56 | 161 | 0 | 0 | 0 | 109 | Y4 Q5 K7 R24 E30 E31 | Y4-I26 WeakPolarHBondContact CA-O 3.3Å; Y4-I26 WeakPolarHBondContact CD2-O 3.33Å; Q5-I26 HydrophobicContact CB-CB 4.19Å; Q5-I26 PolarHBondContact N-O 3.48Å; Q5-I26 PolarHBondContact O-N 2.92Å; K7-I26 HydrophobicContact CD-CD1 4.01Å; K7-I26 HydrophobicContact CG-CD1 4.26Å; R24-I26 HydrophobicContact CB-CD1 4.31Å; R24-I26 HydrophobicContact CB-CG1 4.39Å; I26-E30 WeakPolarHBondContact CA-O 3.27Å; I26-E31 HydrophobicContact CG1-CB 3.94Å; I26-E31 HydrophobicContact CG1-CG 4.16Å |
| 27 | Y | 97.3 | Very high | 97.7 | Very high | 92 Ų | 92 | 56.5 Ų | 56.5 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.3 | 168.5 | -77.6 | -55.9 | 0 | 0 | 0 | 109.7 | F2 V3 Y4 R29 E30 Y32 | F2-Y27 AromaticContact CE1-CD1 3.43Å; F2-Y27 HydrophobicContact CE1-CD1 3.43Å; F2-Y27 VanDerWaalsContact CE1-CD1 3.43Å; F2-Y27 AromaticContact CE1-CE1 3.41Å; F2-Y27 HydrophobicContact CE1-CE1 3.41Å; F2-Y27 VanDerWaalsContact CE1-CE1 3.41Å; F2-Y27 AromaticContact CE2-CD1 3.54Å; F2-Y27 HydrophobicContact CE2-CD1 3.54Å; F2-Y27 HydrophobicContact CE2-CE1 4.21Å; F2-Y27 AromaticContact CE2-CG 3.95Å; F2-Y27 HydrophobicContact CE2-CG 3.95Å; F2-Y27 AromaticContact CZ-CD1 2.83Å; F2-Y27 HydrophobicContact CZ-CD1 2.83Å; F2-Y27 HydrophobicContact CZ-CD2 4.48Å; F2-Y27 AromaticContact CZ-CE1 3.11Å; F2-Y27 HydrophobicContact CZ-CE1 3.11Å; F2-Y27 AromaticContact CZ-CG 3.61Å; F2-Y27 HydrophobicContact CZ-CG 3.61Å; V3-Y27 CarbonylContact O-C 3.56Å; Y4-Y27 AromaticContact CD2-CD1 3.32Å; Y4-Y27 HydrophobicContact CD2-CD1 3.32Å; Y4-Y27 AromaticContact CD2-CE1 3.08Å; Y4-Y27 HydrophobicContact CD2-CE1 3.08Å; Y4-Y27 HydrophobicContact CD2-CE2 4.3Å; Y4-Y27 HydrophobicContact CD2-CG 4.08Å; Y4-Y27 AromaticContact CD2-CZ 3.65Å; Y4-Y27 HydrophobicContact CE2-CD1 4.17Å; Y4-Y27 AromaticContact CE2-CE1 3.74Å; Y4-Y27 HydrophobicContact CE2-CE1 3.74Å; Y4-Y27 HydrophobicContact CE2-CE2 4.24Å; Y4-Y27 AromaticContact CE2-CZ 3.8Å; Y4-Y27 HydrophobicContact CG-CD1 4.1Å; Y4-Y27 AromaticContact CG-CE1 3.76Å; Y4-Y27 HydrophobicContact CG-CE1 3.76Å; Y27-R29 PolarHBondContact O-N 2.9Å; Y27-E30 PolarHBondContact N-O 2.83Å; Y27-E30 PolarHBondContact O-N 2.79Å; Y27-Y32 AromaticContact CD2-CD1 3.49Å; Y27-Y32 HydrophobicContact CD2-CD1 3.49Å; Y27-Y32 VanDerWaalsContact CD2-CD1 3.49Å; Y27-Y32 AromaticContact CD2-CE1 3.39Å; Y27-Y32 HydrophobicContact CD2-CE1 3.39Å; Y27-Y32 HydrophobicContact CD2-CE2 4.48Å; Y27-Y32 HydrophobicContact CD2-CG 4.11Å; Y27-Y32 AromaticContact CD2-CZ 3.95Å; Y27-Y32 HydrophobicContact CE2-CD1 4.02Å; Y27-Y32 AromaticContact CE2-CE1 3.48Å; Y27-Y32 HydrophobicContact CE2-CE1 3.48Å; Y27-Y32 VanDerWaalsContact CE2-CE1 3.48Å; Y27-Y32 HydrophobicContact CE2-CE2 4.13Å; Y27-Y32 AromaticContact CE2-CZ 3.56Å; Y27-Y32 HydrophobicContact CG-CD1 4.29Å; Y27-Y32 HydrophobicContact CG-CE1 4.23Å |
| 28 | N | 96.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -98.8 | -166.8 | -59.8 | -38.4 | 0 | 0 | 0 | 110.7 | F2 V3 Q5 | F2-N28 WeakPolarHBondContact CD2-OD1 3.38Å; V3-N28 PolarHBondContact N-OD1 2.92Å; V3-N28 PolarHBondContact O-N 2.95Å; Q5-N28 PolarHBondContact NE2-O 3.14Å |
| 29 | R | 96.3 | Very high | 97.9 | Very high | 243 Ų | 243 | 49.9 Ų | 49.9 | 92% | 0.917 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 3.4 | 175.9 | -64 | -176.3 | 173.7 | -173.9 | -1.6 | 113.1 | Y27 | Y27-R29 PolarHBondContact O-N 2.9Š|
| 30 | E | 97.7 | Very high | 97.9 | Very high | 103 Ų | 103 | 50 Ų | 50 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 111.8 | -177.8 | -171.7 | 173.3 | -169.1 | 0 | 0 | 109.8 | I26 Y27 Y32 T46 | I26-E30 WeakPolarHBondContact CA-O 3.27Å; Y27-E30 PolarHBondContact N-O 2.83Å; Y27-E30 PolarHBondContact O-N 2.79Å; E30-Y32 PolarHBondContact O-N 3.26Å; E30-T46 HydrophobicContact CG-CG2 3.86Å; E30-T46 VanDerWaalsContact OE1-CG2 3.29Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.43Å |
| 31 | E | 98.5 | Very high | 98 | 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 | 118.5 | 169.8 | -177.3 | -174.7 | -177.6 | 0 | 0 | 109.1 | R24 H25 I26 R34 V45 T46 | R24-E31 HydrophobicContact CB-CG 4.33Å; R24-E31 VanDerWaalsContact CG-OE1 3.32Å; R24-E31 WeakPolarHBondContact CG-OE1 3.1Å; R24-E31 IonicContact CZ-OE2 3.19Å; R24-E31 IonicContact NE-OE1 3.38Å; R24-E31 PolarHBondContact NE-OE1 3.49Å; R24-E31 IonicContact NE-OE2 2.9Å; R24-E31 PolarHBondContact NE-OE2 3Å; R24-E31 IonicContact NH2-OE2 2.65Å; R24-E31 PolarHBondContact NH2-OE2 3.27Å; H25-E31 WeakPolarHBondContact O-CA 3.45Å; I26-E31 HydrophobicContact CG1-CB 3.94Å; I26-E31 HydrophobicContact CG1-CG 4.16Å; E31-R34 WeakPolarHBondContact OE1-CB 3Å; E31-R34 IonicContact OE1-CZ 2.64Å; E31-R34 VanDerWaalsContact OE1-CZ 3.26Å; E31-R34 IonicContact OE1-NE 3.05Å; E31-R34 PolarHBondContact OE1-NE 2.87Å; E31-R34 IonicContact OE1-NH2 3.26Å; E31-R34 PolarHBondContact OE1-NH2 2.99Å; E31-R34 IonicContact OE2-CZ 3.74Å; E31-R34 IonicContact OE2-NE 2.73Å; E31-R34 IonicContact OE2-NH2 3.7Å; E31-R34 PolarHBondContact OE2-NH2 3.14Å; E31-V45 HydrophobicContact CG-CB 4.4Å; E31-V45 HydrophobicContact CG-CG2 4.05Å; E31-V45 WeakPolarHBondContact O-CB 2.98Å; E31-V45 WeakPolarHBondContact O-CG1 3.38Å; E31-T46 WeakPolarHBondContact O-CG2 3.4Å |
| 32 | Y | 98.4 | Very high | 98 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -28.1 | -174.1 | 72.2 | -77.4 | 0 | 0 | 0 | 112.6 | Y4 H25 Y27 E30 V45 T46 G49 | Y4-Y32 AromaticContact CE2-CE1 3.91Å; Y4-Y32 HydrophobicContact CE2-CE1 3.91Å; H25-Y32 HydrophobicContact CB-CD1 4.21Å; H25-Y32 HydrophobicContact CB-CE1 3.44Å; H25-Y32 VanDerWaalsContact CB-CE1 3.44Å; H25-Y32 WeakPolarHBondContact O-CD1 3.18Å; H25-Y32 PolarHBondContact O-N 3.28Å; H25-Y32 VanDerWaalsContact O-N 3.09Å; Y27-Y32 AromaticContact CD2-CD1 3.49Å; Y27-Y32 HydrophobicContact CD2-CD1 3.49Å; Y27-Y32 VanDerWaalsContact CD2-CD1 3.49Å; Y27-Y32 AromaticContact CD2-CE1 3.39Å; Y27-Y32 HydrophobicContact CD2-CE1 3.39Å; Y27-Y32 HydrophobicContact CD2-CE2 4.48Å; Y27-Y32 HydrophobicContact CD2-CG 4.11Å; Y27-Y32 AromaticContact CD2-CZ 3.95Å; Y27-Y32 HydrophobicContact CE2-CD1 4.02Å; Y27-Y32 AromaticContact CE2-CE1 3.48Å; Y27-Y32 HydrophobicContact CE2-CE1 3.48Å; Y27-Y32 VanDerWaalsContact CE2-CE1 3.48Å; Y27-Y32 HydrophobicContact CE2-CE2 4.13Å; Y27-Y32 AromaticContact CE2-CZ 3.56Å; Y27-Y32 HydrophobicContact CG-CD1 4.29Å; Y27-Y32 HydrophobicContact CG-CE1 4.23Å; E30-Y32 PolarHBondContact O-N 3.26Å; Y32-V45 PolarHBondContact O-N 2.85Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.47Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.43Å; Y32-T46 PolarHBondContact O-N 2.02Å; Y32-G49 WeakPolarHBondContact O-CA 3.49Å |
| 33 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 145.5 | 178.2 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | H25 Y42 R43 A53 W56 | H25-V33 HydrophobicContact CB-CG1 3.6Å; H25-V33 PolarHBondContact N-O 2.85Å; V33-Y42 HydrophobicContact CG2-CD1 4.28Å; V33-R43 WeakPolarHBondContact CA-O 3.33Å; V33-R43 WeakPolarHBondContact CG2-O 3.43Å; V33-A53 HydrophobicContact CG2-CB 3.99Å; V33-W56 HydrophobicContact CB-CZ3 4.31Å; V33-W56 HydrophobicContact CG1-CE3 4.41Å; V33-W56 HydrophobicContact CG1-CH2 3.82Å; V33-W56 HydrophobicContact CG1-CZ3 3.4Å; V33-W56 HydrophobicContact CG2-CE3 4.18Å; V33-W56 HydrophobicContact CG2-CZ3 3.9Å |
| 34 | R | 98.6 | Very high | 98 | Very high | 80 Ų | 80 | 57.2 Ų | 57.2 | 30% | 0.302 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.5 | 175.3 | 67.7 | 172.4 | 59.3 | 165 | 4 | 112.9 | T23 E31 Y42 R43 V45 | T23-R34 CarbonylContact O-C 3.58Å; T23-R34 WeakPolarHBondContact O-CA 3.31Å; T23-R34 WeakPolarHBondContact O-CB 3.28Å; E31-R34 WeakPolarHBondContact OE1-CB 3Å; E31-R34 IonicContact OE1-CZ 2.64Å; E31-R34 VanDerWaalsContact OE1-CZ 3.26Å; E31-R34 IonicContact OE1-NE 3.05Å; E31-R34 PolarHBondContact OE1-NE 2.87Å; E31-R34 IonicContact OE1-NH2 3.26Å; E31-R34 PolarHBondContact OE1-NH2 2.99Å; E31-R34 IonicContact OE2-CZ 3.74Å; E31-R34 IonicContact OE2-NE 2.73Å; E31-R34 IonicContact OE2-NH2 3.7Å; E31-R34 PolarHBondContact OE2-NH2 3.14Å; R34-Y42 CarbonylContact O-C 3.6Å; R34-Y42 VanDerWaalsContact O-CA 3.28Å; R34-Y42 WeakPolarHBondContact O-CA 3.04Å; R34-R43 PolarHBondContact N-O 3.13Å; R34-R43 PolarHBondContact O-N 3Å; R34-V45 HydrophobicContact CB-CG2 4.19Å; R34-V45 HydrophobicContact CG-CG2 3.73Å |
| 35 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138 | 158.8 | 176 | -91 | 0 | 0 | 0 | 108.7 | V22 T23 G40 Y42 L63 A66 R67 | V22-F35 CarbonylContact C-O 3.55Å; V22-F35 VanDerWaalsContact CA-O 3.32Å; V22-F35 WeakPolarHBondContact CA-O 3.49Å; T23-F35 PolarHBondContact N-O 2.93Å; T23-F35 PolarHBondContact O-N 3.28Å; F35-G40 VanDerWaalsContact CE2-C 3.48Å; F35-Y42 HydrophobicContact CB-CD1 3.71Å; F35-Y42 HydrophobicContact CB-CE1 3.61Å; F35-Y42 HydrophobicContact CB-CE2 4.42Å; F35-Y42 HydrophobicContact CB-CG 4.2Å; F35-Y42 HydrophobicContact CD2-CD2 4.16Å; F35-Y42 HydrophobicContact CD2-CE2 4.15Å; F35-Y42 HydrophobicContact CD2-CG 4.46Å; F35-L63 HydrophobicContact CD2-CD1 4.49Å; F35-L63 HydrophobicContact CE2-CD1 4.07Å; F35-A66 HydrophobicContact CD1-CB 4.09Å; F35-A66 HydrophobicContact CD2-CB 3.75Å; F35-A66 HydrophobicContact CE1-CB 4.1Å; F35-A66 WeakPolarHBondContact CE1-O 3.11Å; F35-A66 HydrophobicContact CE2-CB 3.75Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.94Å; F35-R67 HydrophobicContact CE2-CG 4.13Å; F35-R67 HydrophobicContact CZ-CB 4.41Å; F35-R67 HydrophobicContact CZ-CG 3.79Å |
| 36 | D | 98.4 | Very high | 98 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 122.6 | 176.1 | -168.6 | -28.2 | 0 | 0 | 0 | 108.2 | R20 D38 V39 G40 | R20-D36 IonicContact CZ-OD1 3.46Å; R20-D36 IonicContact CZ-OD2 2.66Å; R20-D36 IonicContact NE-OD1 3.93Å; R20-D36 PolarHBondContact NE-OD1 2.86Å; R20-D36 IonicContact NE-OD2 3.99Å; R20-D36 PolarHBondContact NE-OD2 2.83Å; R20-D36 IonicContact NH2-OD1 3.75Å; R20-D36 IonicContact NH2-OD2 3.4Å; R20-D36 PolarHBondContact NH2-OD2 3.13Å; D36-D38 PolarHBondContact O-N 2.76Å; D36-D38 PolarHBondContact OD1-N 2.85Å; D36-V39 HydrophobicContact CB-CB 4.28Å; D36-V39 HydrophobicContact CB-CG2 4.02Å; D36-V39 CarbonylContact O-C 3.57Å; D36-V39 PolarHBondContact O-N 2.98Å; D36-G40 PolarHBondContact O-N 2.87Å |
| 37 | S | 97.9 | Very high | 98 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.3 | -176.1 | 61.9 | 0 | 0 | 0 | 0 | 113 | R20 G21 V39 G40 V70 | R20-S37 WeakPolarHBondContact CA-OG 3.3Å; G21-S37 PolarHBondContact N-OG 2.84Å; G21-S37 WeakPolarHBondContact O-CB 3.41Å; G21-S37 PolarHBondContact O-N 3Å; G21-S37 PolarHBondContact O-OG 2.81Å; S37-V39 PolarHBondContact O-N 2.82Å; S37-G40 PolarHBondContact O-N 3.12Å; S37-V70 VanDerWaalsContact CB-CG2 3.43Å |
| 38 | D | 97.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 62.5 Ų | 62.5 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.5 | 177.9 | -72.4 | 10.9 | 0 | 0 | 0 | 111.4 | R18 R20 D36 | R18-D38 IonicContact NH2-OD2 3.89Å; R18-D38 PolarHBondContact NH2-OD2 3.05Å; R20-D38 IonicContact NE-OD2 2.93Å; D36-D38 PolarHBondContact O-N 2.76Å; D36-D38 PolarHBondContact OD1-N 2.85Å |
| 39 | V | 97.9 | Very high | 98 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -34.2 | 175.6 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | D36 S37 V41 | D36-V39 HydrophobicContact CB-CB 4.28Å; D36-V39 HydrophobicContact CB-CG2 4.02Å; D36-V39 CarbonylContact O-C 3.57Å; D36-V39 PolarHBondContact O-N 2.98Å; S37-V39 PolarHBondContact O-N 2.82Å; V39-V41 VanDerWaalsContact C-N 3.34Å; V39-V41 HydrophobicContact CG1-CG2 3.9Å; V39-V41 PolarHBondContact O-N 2.86Å |
| 40 | G | 97.6 | Very high | 98.1 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 11.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | F35 D36 S37 L63 R67 | F35-G40 VanDerWaalsContact CE2-C 3.48Å; D36-G40 PolarHBondContact O-N 2.87Å; S37-G40 PolarHBondContact O-N 3.12Å; G40-L63 WeakPolarHBondContact O-CD1 3.48Å; G40-R67 VanDerWaalsContact O-CZ 3.31Å; G40-R67 PolarHBondContact O-NE 2.84Å; G40-R67 PolarHBondContact O-NH2 2.72Å |
| 41 | V | 98.3 | Very high | 98.1 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 160.4 | 174.8 | -66.4 | 0 | 0 | 0 | 0 | 111.9 | V39 L63 | V39-V41 VanDerWaalsContact C-N 3.34Å; V39-V41 HydrophobicContact CG1-CG2 3.9Å; V39-V41 PolarHBondContact O-N 2.86Å; V41-L63 HydrophobicContact CB-CD1 4.38Å; V41-L63 HydrophobicContact CG1-CD1 4.17Å; V41-L63 HydrophobicContact CG1-CD2 4.23Å |
| 42 | Y | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 137.3 | 170.3 | -70.7 | -91.3 | 0 | 0 | 0 | 110.5 | V33 R34 F35 W56 N57 V62 L63 A66 | V33-Y42 HydrophobicContact CG2-CD1 4.28Å; R34-Y42 CarbonylContact O-C 3.6Å; R34-Y42 VanDerWaalsContact O-CA 3.28Å; R34-Y42 WeakPolarHBondContact O-CA 3.04Å; F35-Y42 HydrophobicContact CB-CD1 3.71Å; F35-Y42 HydrophobicContact CB-CE1 3.61Å; F35-Y42 HydrophobicContact CB-CE2 4.42Å; F35-Y42 HydrophobicContact CB-CG 4.2Å; F35-Y42 HydrophobicContact CD2-CD2 4.16Å; F35-Y42 HydrophobicContact CD2-CE2 4.15Å; F35-Y42 HydrophobicContact CD2-CG 4.46Å; Y42-W56 HydrophobicContact CD1-CD2 4.48Å; Y42-W56 AromaticContact CD1-CE3 3.42Å; Y42-W56 HydrophobicContact CD1-CE3 3.42Å; Y42-W56 VanDerWaalsContact CD1-CE3 3.42Å; Y42-W56 AromaticContact CD1-CZ3 3.9Å; Y42-W56 HydrophobicContact CD1-CZ3 3.9Å; Y42-W56 HydrophobicContact CD2-CB 3.8Å; Y42-W56 HydrophobicContact CD2-CE3 4.48Å; Y42-W56 HydrophobicContact CE1-CD2 4.45Å; Y42-W56 AromaticContact CE1-CE3 3.57Å; Y42-W56 HydrophobicContact CE1-CE3 3.57Å; Y42-W56 AromaticContact CE1-CZ3 3.93Å; Y42-W56 HydrophobicContact CE1-CZ3 3.93Å; Y42-W56 HydrophobicContact CE2-CB 4.06Å; Y42-W56 HydrophobicContact CG-CB 4.16Å; Y42-W56 AromaticContact CG-CE3 3.9Å; Y42-W56 HydrophobicContact CG-CE3 3.9Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.35Å; Y42-N57 PolarHBondContact N-OD1 2.97Å; Y42-N57 PolarHBondContact O-ND2 3.35Å; Y42-V62 HydrophobicContact CE2-CG1 4.07Å; Y42-L63 HydrophobicContact CD2-CD1 4.42Å; Y42-A66 HydrophobicContact CE2-CB 3.95Å |
| 43 | R | 98.5 | Very high | 98.1 | Very high | 161 Ų | 161 | 53.9 Ų | 53.9 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132 | 174.8 | -74.9 | -169.6 | 144.5 | -173.8 | -7.9 | 110.3 | V33 R34 V45 | V33-R43 WeakPolarHBondContact CA-O 3.33Å; V33-R43 WeakPolarHBondContact CG2-O 3.43Å; R34-R43 PolarHBondContact N-O 3.13Å; R34-R43 PolarHBondContact O-N 3Å; R43-V45 PolarHBondContact O-N 2.98Å |
| 44 | A | 98.3 | Very high | 98.1 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 31% | 0.306 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 124.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | G49 R50 A53 | A44-G49 VanDerWaalsContact CB-C 3.45Å; A44-R50 HydrophobicContact CB-CB 4.39Å; A44-R50 HydrophobicContact CB-CG 3.83Å; A44-A53 HydrophobicContact CB-CB 4.22Å |
| 45 | V | 98.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 63.2 Ų | 63.2 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -86.5 | -29.9 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | E31 Y32 R34 R43 | E31-V45 HydrophobicContact CG-CB 4.4Å; E31-V45 HydrophobicContact CG-CG2 4.05Å; E31-V45 WeakPolarHBondContact O-CB 2.98Å; E31-V45 WeakPolarHBondContact O-CG1 3.38Å; Y32-V45 PolarHBondContact O-N 2.85Å; R34-V45 HydrophobicContact CB-CG2 4.19Å; R34-V45 HydrophobicContact CG-CG2 3.73Å; R43-V45 PolarHBondContact O-N 2.98Å |
| 46 | T | 98.1 | Very high | 98.1 | Very high | 23 Ų | 23 | 65.6 Ų | 65.6 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -128.6 | 162.1 | 176.3 | 69.1 | 0 | 0 | 0 | 0 | 110.1 | E30 E31 Y32 Q48 G49 | E30-T46 HydrophobicContact CG-CG2 3.86Å; E30-T46 VanDerWaalsContact OE1-CG2 3.29Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.43Å; E31-T46 WeakPolarHBondContact O-CG2 3.4Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.47Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.43Å; Y32-T46 PolarHBondContact O-N 2.02Å; T46-Q48 PolarHBondContact O-N 3.16Å; T46-Q48 VanDerWaalsContact O-N 3.15Å; T46-Q48 PolarHBondContact OG1-OE1 3.24Å; T46-G49 PolarHBondContact O-N 2.65Å |
| 47 | P | 97.8 | Very high | 98.1 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -53.7 | -34.9 | 178.9 | -27.7 | 36.1 | 0 | 0 | 0 | 113.8 | G49 R50 | P47-G49 PolarHBondContact O-N 2.84Å; P47-R50 WeakPolarHBondContact O-CG 3.36Å; P47-R50 PolarHBondContact O-N 3.13Å |
| 48 | Q | 95.7 | Very high | 98.1 | Very high | 126 Ų | 126 | 69.7 Ų | 69.7 | 59% | 0.589 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -65.6 | -24 | -179 | -63.8 | 78.7 | 1.6 | 0 | 0 | 112.6 | T46 P51 | T46-Q48 PolarHBondContact O-N 3.16Å; T46-Q48 VanDerWaalsContact O-N 3.15Å; T46-Q48 PolarHBondContact OG1-OE1 3.24Å; Q48-P51 WeakPolarHBondContact O-CD 3.25Å |
| 49 | G | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -87.2 | -2.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | Y32 A44 T46 P47 S52 A53 | Y32-G49 WeakPolarHBondContact O-CA 3.49Å; A44-G49 VanDerWaalsContact CB-C 3.45Å; T46-G49 PolarHBondContact O-N 2.65Å; P47-G49 PolarHBondContact O-N 2.84Å; G49-S52 PolarHBondContact O-N 3.46Å; G49-A53 WeakPolarHBondContact O-CB 3.47Å; G49-A53 PolarHBondContact O-N 2.87Å |
| 50 | R | 98.5 | Very high | 98.1 | Very high | 153 Ų | 153 | 73.1 Ų | 73.1 | 58% | 0.577 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57 | -48.4 | 177.5 | -66.1 | -179.9 | -171.8 | -175.9 | 3.7 | 112.7 | A44 P47 S52 A53 E54 | A44-R50 HydrophobicContact CB-CB 4.39Å; A44-R50 HydrophobicContact CB-CG 3.83Å; P47-R50 WeakPolarHBondContact O-CG 3.36Å; P47-R50 PolarHBondContact O-N 3.13Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 2.84Å; R50-A53 PolarHBondContact O-N 2.83Å; R50-E54 WeakPolarHBondContact O-CB 3.47Å; R50-E54 WeakPolarHBondContact O-CG 3.43Å; R50-E54 PolarHBondContact O-N 2.92Å |
| 51 | P | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 80.5 Ų | 80.5 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | -179.9 | -22.6 | 34.8 | 0 | 0 | 0 | 112.2 | Q48 Y55 | Q48-P51 WeakPolarHBondContact O-CD 3.25Å; P51-Y55 WeakPolarHBondContact O-CB 3.47Å; P51-Y55 PolarHBondContact O-N 3.01Å |
| 52 | S | 98.3 | Very high | 98 | Very high | 32 Ų | 32 | 81.2 Ų | 81.2 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 178.2 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | G49 R50 Y55 W56 | G49-S52 PolarHBondContact O-N 3.46Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 2.84Å; S52-Y55 PolarHBondContact O-N 3Å; S52-W56 WeakPolarHBondContact O-CB 3.45Å; S52-W56 VanDerWaalsContact O-CG 3.27Å; S52-W56 PolarHBondContact O-N 3.26Å |
| 53 | A | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 80.9 Ų | 80.9 | 6% | 0.058 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V33 A44 G49 R50 N57 | V33-A53 HydrophobicContact CG2-CB 3.99Å; A44-A53 HydrophobicContact CB-CB 4.22Å; G49-A53 WeakPolarHBondContact O-CB 3.47Å; G49-A53 PolarHBondContact O-N 2.87Å; R50-A53 PolarHBondContact O-N 2.83Å; A53-N57 VanDerWaalsContact O-CB 3.22Å; A53-N57 WeakPolarHBondContact O-CB 3.32Å; A53-N57 PolarHBondContact O-N 2.84Å; A53-N57 PolarHBondContact O-ND2 2.98Å |
| 54 | E | 98.4 | Very high | 97.9 | Very high | 135 Ų | 135 | 77.7 Ų | 77.7 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.3 | -48.1 | 176.7 | -72.3 | 168.2 | -167.7 | 0 | 0 | 111.3 | R50 N57 S58 | R50-E54 WeakPolarHBondContact O-CB 3.47Å; R50-E54 WeakPolarHBondContact O-CG 3.43Å; R50-E54 PolarHBondContact O-N 2.92Å; E54-N57 PolarHBondContact O-N 2.91Å; E54-S58 PolarHBondContact O-N 3.1Å |
| 55 | Y | 98.4 | Very high | 97.8 | Very high | 140 Ų | 140 | 77.8 Ų | 77.8 | 55% | 0.549 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.3 | -53.3 | 178.3 | 179.9 | -110.1 | 0 | 0 | 0 | 111.4 | P51 S52 N57 S58 Q59 | P51-Y55 WeakPolarHBondContact O-CB 3.47Å; P51-Y55 PolarHBondContact O-N 3.01Å; S52-Y55 PolarHBondContact O-N 3Å; Y55-N57 VanDerWaalsContact C-N 3.34Å; Y55-N57 PolarHBondContact O-N 2.98Å; Y55-S58 WeakPolarHBondContact O-CB 3.26Å; Y55-S58 PolarHBondContact O-N 3Å; Y55-S58 VanDerWaalsContact O-N 3.1Å; Y55-S58 PolarHBondContact O-OG 2.84Å; Y55-Q59 WeakPolarHBondContact O-CG 3.43Å; Y55-Q59 PolarHBondContact O-N 2.78Å |
| 56 | W | 98.4 | Very high | 97.7 | Very high | 50 Ų | 50 | 75 Ų | 75 | 19% | 0.189 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.8 | -33.3 | -178.3 | -64.2 | -27 | 0 | 0 | 0 | 113.5 | H25 V33 Y42 S52 S58 Q59 V62 | H25-W56 AromaticContact CD2-CZ3 3.85Å; H25-W56 AromaticContact CE1-CH2 3.56Å; H25-W56 AromaticContact CE1-CZ3 3.91Å; H25-W56 AromaticContact CG-CH2 3.95Å; H25-W56 AromaticContact ND1-CH2 3.63Å; H25-W56 AromaticContact NE2-CH2 3.87Å; H25-W56 AromaticContact NE2-CZ3 3.72Å; V33-W56 HydrophobicContact CB-CZ3 4.31Å; V33-W56 HydrophobicContact CG1-CE3 4.41Å; V33-W56 HydrophobicContact CG1-CH2 3.82Å; V33-W56 HydrophobicContact CG1-CZ3 3.4Å; V33-W56 HydrophobicContact CG2-CE3 4.18Å; V33-W56 HydrophobicContact CG2-CZ3 3.9Å; Y42-W56 HydrophobicContact CD1-CD2 4.48Å; Y42-W56 AromaticContact CD1-CE3 3.42Å; Y42-W56 HydrophobicContact CD1-CE3 3.42Å; Y42-W56 VanDerWaalsContact CD1-CE3 3.42Å; Y42-W56 AromaticContact CD1-CZ3 3.9Å; Y42-W56 HydrophobicContact CD1-CZ3 3.9Å; Y42-W56 HydrophobicContact CD2-CB 3.8Å; Y42-W56 HydrophobicContact CD2-CE3 4.48Å; Y42-W56 HydrophobicContact CE1-CD2 4.45Å; Y42-W56 AromaticContact CE1-CE3 3.57Å; Y42-W56 HydrophobicContact CE1-CE3 3.57Å; Y42-W56 AromaticContact CE1-CZ3 3.93Å; Y42-W56 HydrophobicContact CE1-CZ3 3.93Å; Y42-W56 HydrophobicContact CE2-CB 4.06Å; Y42-W56 HydrophobicContact CG-CB 4.16Å; Y42-W56 AromaticContact CG-CE3 3.9Å; Y42-W56 HydrophobicContact CG-CE3 3.9Å; S52-W56 WeakPolarHBondContact O-CB 3.45Å; S52-W56 VanDerWaalsContact O-CG 3.27Å; S52-W56 PolarHBondContact O-N 3.26Å; W56-S58 VanDerWaalsContact C-N 3.28Å; W56-S58 PolarHBondContact O-N 3.27Å; W56-Q59 PolarHBondContact O-N 2.85Å; W56-V62 HydrophobicContact CB-CG1 4.16Å; W56-V62 HydrophobicContact CG-CG1 4.41Å |
| 57 | N | 98.6 | Very high | 97.7 | Very high | 51 Ų | 51 | 79.7 Ų | 79.7 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.9 | -25.1 | 174.2 | -72.2 | -28.8 | 0 | 0 | 0 | 112.8 | Y42 A53 E54 Y55 Q59 | Y42-N57 WeakPolarHBondContact CB-OD1 3.35Å; Y42-N57 PolarHBondContact N-OD1 2.97Å; Y42-N57 PolarHBondContact O-ND2 3.35Å; A53-N57 VanDerWaalsContact O-CB 3.22Å; A53-N57 WeakPolarHBondContact O-CB 3.32Å; A53-N57 PolarHBondContact O-N 2.84Å; A53-N57 PolarHBondContact O-ND2 2.98Å; E54-N57 PolarHBondContact O-N 2.91Å; Y55-N57 VanDerWaalsContact C-N 3.34Å; Y55-N57 PolarHBondContact O-N 2.98Å; N57-Q59 VanDerWaalsContact C-N 3.29Å |
| 58 | S | 98.2 | Very high | 97.6 | Very high | 78 Ų | 78 | 77 Ų | 77 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.8 | -20.6 | 173.7 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | E54 Y55 W56 K60 | E54-S58 PolarHBondContact O-N 3.1Å; Y55-S58 WeakPolarHBondContact O-CB 3.26Å; Y55-S58 PolarHBondContact O-N 3Å; Y55-S58 VanDerWaalsContact O-N 3.1Å; Y55-S58 PolarHBondContact O-OG 2.84Å; W56-S58 VanDerWaalsContact C-N 3.28Å; W56-S58 PolarHBondContact O-N 3.27Å; S58-K60 PolarHBondContact O-N 3.06Å |
| 59 | Q | 98.3 | Very high | 97.5 | Very high | 79 Ų | 79 | 72 Ų | 72 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | trans | -92.5 | 100.2 | -178 | -58.9 | -58.4 | -62 | 0 | 0 | 110.1 | Y55 W56 N57 E61 V62 L63 | Y55-Q59 WeakPolarHBondContact O-CG 3.43Å; Y55-Q59 PolarHBondContact O-N 2.78Å; W56-Q59 PolarHBondContact O-N 2.85Å; N57-Q59 VanDerWaalsContact C-N 3.29Å; Q59-E61 VanDerWaalsContact C-N 3.32Å; Q59-E61 PolarHBondContact O-N 3.25Å; Q59-V62 HydrophobicContact CB-CB 3.88Å; Q59-V62 HydrophobicContact CB-CG2 3.66Å; Q59-V62 HydrophobicContact CG-CG2 4.41Å; Q59-V62 PolarHBondContact O-N 3.17Å; Q59-V62 VanDerWaalsContact O-N 3.12Å; Q59-L63 PolarHBondContact O-N 3.3Å; Q59-L63 VanDerWaalsContact O-N 3.08Å | ||
| 60 | K | 97.1 | Very high | 97.4 | Very high | 147 Ų | 147 | 72.8 Ų | 72.8 | 64% | 0.639 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -52.2 | -48 | -175.8 | -176.4 | 178.8 | 174.2 | -176.4 | 0 | 112.8 | S58 V62 L63 E64 | S58-K60 PolarHBondContact O-N 3.06Å; K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 2.91Å; K60-L63 PolarHBondContact O-N 2.97Å; K60-E64 VanDerWaalsContact CE-CD 3.49Å; K60-E64 WeakPolarHBondContact CE-OE1 3.4Å; K60-E64 HydrophobicContact CG-CG 4.31Å; K60-E64 IonicContact NZ-OE1 2.73Å; K60-E64 WeakPolarHBondContact O-CB 3.28Å; K60-E64 WeakPolarHBondContact O-CG 3.19Å; K60-E64 PolarHBondContact O-N 3.27Å |
| 61 | E | 97 | Very high | 97.2 | Very high | 167 Ų | 167 | 70 Ų | 70 | 78% | 0.78 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | -178.2 | -63.2 | -177.9 | 178.6 | 0 | 0 | 112.5 | Q59 G65 | Q59-E61 VanDerWaalsContact C-N 3.32Å; Q59-E61 PolarHBondContact O-N 3.25Å; E61-G65 PolarHBondContact O-N 2.92Å |
| 62 | V | 96.9 | Very high | 97.1 | Very high | 59 Ų | 59 | 75.2 Ų | 75.2 | 36% | 0.358 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | Y42 W56 Q59 K60 A66 | Y42-V62 HydrophobicContact CE2-CG1 4.07Å; W56-V62 HydrophobicContact CB-CG1 4.16Å; W56-V62 HydrophobicContact CG-CG1 4.41Å; Q59-V62 HydrophobicContact CB-CB 3.88Å; Q59-V62 HydrophobicContact CB-CG2 3.66Å; Q59-V62 HydrophobicContact CG-CG2 4.41Å; Q59-V62 PolarHBondContact O-N 3.17Å; Q59-V62 VanDerWaalsContact O-N 3.12Å; K60-V62 VanDerWaalsContact C-N 3.33Å; K60-V62 PolarHBondContact O-N 2.91Å; V62-A66 WeakPolarHBondContact O-CB 3.42Å; V62-A66 PolarHBondContact O-N 2.66Å |
| 63 | L | 97.3 | Very high | 96.9 | Very high | 18 Ų | 18 | 77 Ų | 77 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.7 | -42.2 | -178.6 | -175.9 | 58.5 | 0 | 0 | 0 | 112.2 | F35 G40 V41 Y42 Q59 K60 A66 R67 | F35-L63 HydrophobicContact CD2-CD1 4.49Å; F35-L63 HydrophobicContact CE2-CD1 4.07Å; G40-L63 WeakPolarHBondContact O-CD1 3.48Å; V41-L63 HydrophobicContact CB-CD1 4.38Å; V41-L63 HydrophobicContact CG1-CD1 4.17Å; V41-L63 HydrophobicContact CG1-CD2 4.23Å; Y42-L63 HydrophobicContact CD2-CD1 4.42Å; Q59-L63 PolarHBondContact O-N 3.3Å; Q59-L63 VanDerWaalsContact O-N 3.08Å; K60-L63 PolarHBondContact O-N 2.97Å; L63-A66 PolarHBondContact O-N 2.98Å; L63-R67 VanDerWaalsContact O-CG 3.31Å; L63-R67 WeakPolarHBondContact O-CG 3.29Å; L63-R67 PolarHBondContact O-N 3.27Å |
| 64 | E | 97.1 | Very high | 96.9 | Very high | 95 Ų | 95 | 76.8 Ų | 76.8 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 174.7 | -73.1 | 179.5 | 166.9 | 0 | 0 | 111.6 | K60 A66 R67 A68 | K60-E64 VanDerWaalsContact CE-CD 3.49Å; K60-E64 WeakPolarHBondContact CE-OE1 3.4Å; K60-E64 HydrophobicContact CG-CG 4.31Å; K60-E64 IonicContact NZ-OE1 2.73Å; K60-E64 WeakPolarHBondContact O-CB 3.28Å; K60-E64 WeakPolarHBondContact O-CG 3.19Å; K60-E64 PolarHBondContact O-N 3.27Å; E64-A66 PolarHBondContact O-N 3.16Å; E64-R67 PolarHBondContact O-N 3.44Å; E64-A68 WeakPolarHBondContact O-CB 3.3Å; E64-A68 PolarHBondContact O-N 2.87Å |
| 65 | G | 96.6 | Very high | 96.8 | Very high | 38 Ų | 38 | 73.3 Ų | 73.3 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E61 A68 S69 | E61-G65 PolarHBondContact O-N 2.92Å; G65-A68 PolarHBondContact O-N 3.14Å; G65-S69 PolarHBondContact O-N 2.88Å; G65-S69 VanDerWaalsContact O-N 3.15Å |
| 66 | A | 96.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 71.5 Ų | 71.5 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F35 Y42 V62 L63 E64 S69 | F35-A66 HydrophobicContact CD1-CB 4.09Å; F35-A66 HydrophobicContact CD2-CB 3.75Å; F35-A66 HydrophobicContact CE1-CB 4.1Å; F35-A66 WeakPolarHBondContact CE1-O 3.11Å; F35-A66 HydrophobicContact CE2-CB 3.75Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.94Å; Y42-A66 HydrophobicContact CE2-CB 3.95Å; V62-A66 WeakPolarHBondContact O-CB 3.42Å; V62-A66 PolarHBondContact O-N 2.66Å; L63-A66 PolarHBondContact O-N 2.98Å; E64-A66 PolarHBondContact O-N 3.16Å; A66-S69 VanDerWaalsContact O-CB 3.29Å; A66-S69 WeakPolarHBondContact O-CB 3.36Å; A66-S69 PolarHBondContact O-N 3.46Å; A66-S69 PolarHBondContact O-OG 3.03Å |
| 67 | R | 97.1 | Very high | 96.5 | Very high | 120 Ų | 120 | 73.1 Ų | 73.1 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.6 | -70.7 | 166.1 | 179.1 | 173.4 | -2.2 | 112.2 | F35 G40 L63 E64 S69 | F35-R67 HydrophobicContact CE2-CG 4.13Å; F35-R67 HydrophobicContact CZ-CB 4.41Å; F35-R67 HydrophobicContact CZ-CG 3.79Å; G40-R67 VanDerWaalsContact O-CZ 3.31Å; G40-R67 PolarHBondContact O-NE 2.84Å; G40-R67 PolarHBondContact O-NH2 2.72Å; L63-R67 VanDerWaalsContact O-CG 3.31Å; L63-R67 WeakPolarHBondContact O-CG 3.29Å; L63-R67 PolarHBondContact O-N 3.27Å; E64-R67 PolarHBondContact O-N 3.44Å; R67-S69 PolarHBondContact O-N 2.63Å |
| 68 | A | 96.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 72.7 Ų | 72.7 | 24% | 0.24 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.2 | -13.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E64 G65 V70 D71 R72 | E64-A68 WeakPolarHBondContact O-CB 3.3Å; E64-A68 PolarHBondContact O-N 2.87Å; G65-A68 PolarHBondContact O-N 3.14Å; A68-V70 PolarHBondContact O-N 2.73Å; A68-D71 PolarHBondContact O-N 3.44Å; A68-R72 WeakPolarHBondContact O-CB 3.36Å; A68-R72 PolarHBondContact O-N 2.83Å |
| 69 | S | 93.7 | Very high | 96.1 | Very high | 23 Ų | 23 | 74.9 Ų | 74.9 | 16% | 0.161 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.4 | -26.8 | -179.7 | 72.6 | 0 | 0 | 0 | 0 | 113.4 | G65 A66 R67 D71 V73 C74 | G65-S69 PolarHBondContact O-N 2.88Å; G65-S69 VanDerWaalsContact O-N 3.15Å; A66-S69 VanDerWaalsContact O-CB 3.29Å; A66-S69 WeakPolarHBondContact O-CB 3.36Å; A66-S69 PolarHBondContact O-N 3.46Å; A66-S69 PolarHBondContact O-OG 3.03Å; R67-S69 PolarHBondContact O-N 2.63Å; S69-D71 VanDerWaalsContact C-N 3.35Å; S69-D71 PolarHBondContact O-N 2.82Å; S69-V73 WeakPolarHBondContact O-CA 3.32Å; S69-V73 VanDerWaalsContact O-CB 3.23Å; S69-V73 WeakPolarHBondContact O-CB 3.34Å; S69-V73 PolarHBondContact O-N 2.97Å; S69-C74 PolarHBondContact O-N 2.73Å; S69-C74 VanDerWaalsContact O-N 3.1Å |
| 70 | V | 95.3 | Very high | 95.8 | Very high | 16 Ų | 16 | 75.8 Ų | 75.8 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | I | π-helix | trans | -57.2 | -50.2 | 175.6 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | V19 S37 A68 C74 R75 | V19-V70 HydrophobicContact CB-CG1 3.99Å; V19-V70 HydrophobicContact CG1-CG1 3.89Å; S37-V70 VanDerWaalsContact CB-CG2 3.43Å; A68-V70 PolarHBondContact O-N 2.73Å; V70-C74 WeakPolarHBondContact O-CA 3.46Å; V70-C74 WeakPolarHBondContact O-CB 3.49Å; V70-C74 PolarHBondContact O-N 2.93Å; V70-R75 PolarHBondContact O-N 2.64Å |
| 71 | D | 95.3 | Very high | 95.5 | Very high | 93 Ų | 93 | 70 Ų | 70 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -81.7 | -47.4 | -178.1 | -59.2 | -38.9 | 0 | 0 | 0 | 111.3 | A68 S69 V73 R75 H76 | A68-D71 PolarHBondContact O-N 3.44Å; S69-D71 VanDerWaalsContact C-N 3.35Å; S69-D71 PolarHBondContact O-N 2.82Å; D71-V73 PolarHBondContact O-N 3.36Å; D71-R75 WeakPolarHBondContact OD1-CD 3.47Å; D71-R75 IonicContact OD1-CZ 2.77Å; D71-R75 IonicContact OD1-NE 3.81Å; D71-R75 PolarHBondContact OD1-NE 3.05Å; D71-H76 PolarHBondContact O-N 2.73Å |
| 72 | R | 95 | Very high | 95.2 | Very high | 195 Ų | 195 | 66.9 Ų | 66.9 | 74% | 0.736 | 34% | 0.337 | S | S | * | . | I | π-helix | trans | -70.7 | -30 | -173.7 | -70.2 | -174.4 | 170.4 | 172.8 | -1.7 | 114.3 | A68 H76 | A68-R72 WeakPolarHBondContact O-CB 3.36Å; A68-R72 PolarHBondContact O-N 2.83Å; R72-H76 VanDerWaalsContact O-CB 3.29Å; R72-H76 WeakPolarHBondContact O-CB 3.4Å |
| 73 | V | 95.6 | Very high | 94.5 | Very high | 68 Ų | 68 | 74.5 Ų | 74.5 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | I | π-helix | trans | -110.4 | -58.6 | -177.6 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | S69 D71 N77 | S69-V73 WeakPolarHBondContact O-CA 3.32Å; S69-V73 VanDerWaalsContact O-CB 3.23Å; S69-V73 WeakPolarHBondContact O-CB 3.34Å; S69-V73 PolarHBondContact O-N 2.97Å; D71-V73 PolarHBondContact O-N 3.36Å; V73-N77 WeakPolarHBondContact CG1-ND2 3.25Å; V73-N77 WeakPolarHBondContact O-CB 3.48Å; V73-N77 PolarHBondContact O-N 3.09Å; V73-N77 PolarHBondContact O-ND2 2.86Å; V73-N77 VanDerWaalsContact O-ND2 3.15Å |
| 74 | C | 97.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.02 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -68.3 | -53.7 | -171.4 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | C10 F12 V19 S69 V70 Y78 | C10-C74 HydrophobicContact CB-CB 3.52Å; C10-C74 WeakPolarHBondContact CB-SG 3.4Å; C10-C74 WeakPolarHBondContact SG-CA 3.44Å; C10-C74 WeakPolarHBondContact SG-CB 3.12Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.15Å; F12-C74 HydrophobicContact CE1-CB 4.21Å; F12-C74 HydrophobicContact CZ-CB 4.02Å; F12-C74 WeakPolarHBondContact CZ-O 3.38Å; V19-C74 HydrophobicContact CG1-CB 3.55Å; S69-C74 PolarHBondContact O-N 2.73Å; S69-C74 VanDerWaalsContact O-N 3.1Å; V70-C74 WeakPolarHBondContact O-CA 3.46Å; V70-C74 WeakPolarHBondContact O-CB 3.49Å; V70-C74 PolarHBondContact O-N 2.93Å; C74-Y78 VanDerWaalsContact O-CB 3.31Å; C74-Y78 WeakPolarHBondContact O-CB 3.43Å; C74-Y78 PolarHBondContact O-N 3.14Å |
| 75 | R | 96.6 | Very high | 93.4 | Very high | 63 Ų | 63 | 74.7 Ų | 74.7 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | I | π-helix | trans | -65.8 | -47.3 | -179.8 | -63.2 | -175.5 | -173 | -70.1 | -0.4 | 112 | T16 V19 V70 D71 N77 Y78 E79 | T16-R75 PolarHBondContact O-NH1 2.88Å; V19-R75 HydrophobicContact CG2-CG 4.28Å; V70-R75 PolarHBondContact O-N 2.64Å; D71-R75 WeakPolarHBondContact OD1-CD 3.47Å; D71-R75 IonicContact OD1-CZ 2.77Å; D71-R75 IonicContact OD1-NE 3.81Å; D71-R75 PolarHBondContact OD1-NE 3.05Å; R75-N77 PolarHBondContact O-N 3.25Å; R75-Y78 WeakPolarHBondContact O-CB 3.44Å; R75-Y78 PolarHBondContact O-N 3.28Å; R75-Y78 VanDerWaalsContact O-N 3.16Å; R75-E79 WeakPolarHBondContact O-CG 3.33Å; R75-E79 PolarHBondContact O-N 3.04Å |
| 76 | H | 94.9 | Very high | 93.1 | Very high | 101 Ų | 101 | 76 Ų | 76 | 47% | 0.468 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.2 | -51.9 | 176.6 | 179.4 | 68.8 | 0 | 0 | 0 | 112.1 | D71 R72 Y78 E79 V80 | D71-H76 PolarHBondContact O-N 2.73Å; R72-H76 VanDerWaalsContact O-CB 3.29Å; R72-H76 WeakPolarHBondContact O-CB 3.4Å; H76-Y78 VanDerWaalsContact C-N 3.31Å; H76-Y78 PolarHBondContact O-N 3.19Å; H76-E79 PolarHBondContact O-N 2.9Å; H76-V80 WeakPolarHBondContact O-CG2 3.47Å; H76-V80 PolarHBondContact O-N 3.35Å; H76-V80 VanDerWaalsContact O-N 3.08Å |
| 77 | N | 95.3 | Very high | 92.9 | Very high | 85 Ų | 85 | 80.1 Ų | 80.1 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.9 | -30.8 | -180 | -70.8 | -28.3 | 0 | 0 | 0 | 112.5 | V73 R75 V80 A81 | V73-N77 WeakPolarHBondContact CG1-ND2 3.25Å; V73-N77 WeakPolarHBondContact O-CB 3.48Å; V73-N77 PolarHBondContact O-N 3.09Å; V73-N77 PolarHBondContact O-ND2 2.86Å; V73-N77 VanDerWaalsContact O-ND2 3.15Å; R75-N77 PolarHBondContact O-N 3.25Å; N77-V80 PolarHBondContact O-N 3.39Å; N77-A81 WeakPolarHBondContact O-CB 3.18Å; N77-A81 PolarHBondContact O-N 2.91Å |
| 78 | Y | 95.8 | Very high | 92.8 | Very high | 41 Ų | 41 | 79.6 Ų | 79.6 | 16% | 0.161 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 171.9 | -177.3 | -79 | 0 | 0 | 0 | 110.9 | F12 G15 T16 C74 R75 H76 V80 A81 Y82 L86 | F12-Y78 HydrophobicContact CB-CD2 4.34Å; F12-Y78 HydrophobicContact CB-CE2 4.19Å; F12-Y78 AromaticContact CD1-CD2 3.35Å; F12-Y78 HydrophobicContact CD1-CD2 3.35Å; F12-Y78 AromaticContact CD1-CE2 3.96Å; F12-Y78 HydrophobicContact CD1-CE2 3.96Å; F12-Y78 HydrophobicContact CD1-CG 4.06Å; F12-Y78 HydrophobicContact CD2-CD2 4.02Å; F12-Y78 AromaticContact CE1-CD2 3.51Å; F12-Y78 HydrophobicContact CE1-CD2 3.51Å; F12-Y78 AromaticContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE2-CD2 4.13Å; F12-Y78 AromaticContact CG-CD2 3.63Å; F12-Y78 HydrophobicContact CG-CD2 3.63Å; F12-Y78 AromaticContact CG-CE2 3.98Å; F12-Y78 HydrophobicContact CG-CE2 3.98Å; F12-Y78 AromaticContact CZ-CD2 3.9Å; F12-Y78 HydrophobicContact CZ-CD2 3.9Å; F12-Y78 HydrophobicContact CZ-CG 4.34Å; G15-Y78 WeakPolarHBondContact CA-OH 3.49Å; T16-Y78 HydrophobicContact CG2-CD1 3.32Å; T16-Y78 HydrophobicContact CG2-CD2 4.23Å; T16-Y78 HydrophobicContact CG2-CE1 3.63Å; T16-Y78 HydrophobicContact CG2-CE2 4.45Å; T16-Y78 HydrophobicContact CG2-CG 3.68Å; C74-Y78 VanDerWaalsContact O-CB 3.31Å; C74-Y78 WeakPolarHBondContact O-CB 3.43Å; C74-Y78 PolarHBondContact O-N 3.14Å; R75-Y78 WeakPolarHBondContact O-CB 3.44Å; R75-Y78 PolarHBondContact O-N 3.28Å; R75-Y78 VanDerWaalsContact O-N 3.16Å; H76-Y78 VanDerWaalsContact C-N 3.31Å; H76-Y78 PolarHBondContact O-N 3.19Å; Y78-V80 PolarHBondContact O-N 3.37Å; Y78-A81 CarbonylContact O-C 3.53Å; Y78-A81 PolarHBondContact O-N 2.92Å; Y78-Y82 AromaticContact CE1-CD2 3.71Å; Y78-Y82 HydrophobicContact CE1-CD2 3.71Å; Y78-Y82 HydrophobicContact CE1-CE2 4.45Å; Y78-Y82 HydrophobicContact CE1-CG 4.43Å; Y78-Y82 WeakPolarHBondContact O-CA 3.44Å; Y78-Y82 WeakPolarHBondContact O-CB 3.32Å; Y78-Y82 PolarHBondContact O-N 3.26Å; Y78-L86 HydrophobicContact CD1-CD1 4.2Å; Y78-L86 HydrophobicContact CD2-CD1 3.62Å; Y78-L86 HydrophobicContact CE1-CD1 3.86Å; Y78-L86 HydrophobicContact CE2-CD1 3.25Å; Y78-L86 HydrophobicContact CG-CD1 4.09Å |
| 79 | E | 92.7 | Very high | 92.8 | Very high | 124 Ų | 124 | 83.8 Ų | 83.8 | 58% | 0.579 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 179.2 | -71 | 170.9 | -174.4 | 0 | 0 | 111.8 | R75 H76 Y82 | R75-E79 WeakPolarHBondContact O-CG 3.33Å; R75-E79 PolarHBondContact O-N 3.04Å; H76-E79 PolarHBondContact O-N 2.9Å; E79-Y82 WeakPolarHBondContact O-CB 3.06Å; E79-Y82 PolarHBondContact O-N 2.9Å |
| 80 | V | 92.5 | Very high | 93 | Very high | 99 Ų | 99 | 84.6 Ų | 84.6 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 174.4 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | H76 N77 Y78 Y82 | H76-V80 WeakPolarHBondContact O-CG2 3.47Å; H76-V80 PolarHBondContact O-N 3.35Å; H76-V80 VanDerWaalsContact O-N 3.08Å; N77-V80 PolarHBondContact O-N 3.39Å; Y78-V80 PolarHBondContact O-N 3.37Å; V80-Y82 VanDerWaalsContact C-N 3.31Å; V80-Y82 PolarHBondContact O-N 2.85Å |
| 81 | A | 92.1 | Very high | 93.1 | Very high | 24 Ų | 24 | 89.3 Ų | 89.3 | 20% | 0.198 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.1 | -21 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N77 Y78 R83 G84 I85 L86 | N77-A81 WeakPolarHBondContact O-CB 3.18Å; N77-A81 PolarHBondContact O-N 2.91Å; Y78-A81 CarbonylContact O-C 3.53Å; Y78-A81 PolarHBondContact O-N 2.92Å; A81-R83 PolarHBondContact O-N 3.38Å; A81-G84 CarbonylContact O-C 3.52Å; A81-G84 PolarHBondContact O-N 2.93Å; A81-I85 HydrophobicContact CB-CB 4.38Å; A81-I85 HydrophobicContact CB-CD1 4.26Å; A81-I85 PolarHBondContact O-N 2.97Å; A81-L86 PolarHBondContact O-N 2.77Å |
| 82 | Y | 89.9 | Confident | 93.3 | Very high | 103 Ų | 103 | 85.3 Ų | 85.3 | 40% | 0.404 | 40% | 0.4 | S | S | . | . | I | π-helix | trans | -58.8 | -51.2 | -170.8 | -176.2 | -103.2 | 0 | 0 | 0 | 112.1 | Y78 E79 V80 G84 L86 Q87 | Y78-Y82 AromaticContact CE1-CD2 3.71Å; Y78-Y82 HydrophobicContact CE1-CD2 3.71Å; Y78-Y82 HydrophobicContact CE1-CE2 4.45Å; Y78-Y82 HydrophobicContact CE1-CG 4.43Å; Y78-Y82 WeakPolarHBondContact O-CA 3.44Å; Y78-Y82 WeakPolarHBondContact O-CB 3.32Å; Y78-Y82 PolarHBondContact O-N 3.26Å; E79-Y82 WeakPolarHBondContact O-CB 3.06Å; E79-Y82 PolarHBondContact O-N 2.9Å; V80-Y82 VanDerWaalsContact C-N 3.31Å; V80-Y82 PolarHBondContact O-N 2.85Å; Y82-G84 PolarHBondContact O-N 3.22Å; Y82-L86 HydrophobicContact CD2-CB 4.37Å; Y82-L86 HydrophobicContact CD2-CD1 4.1Å; Y82-Q87 HydrophobicContact CE1-CG 4.32Å; Y82-Q87 VanDerWaalsContact CE1-NE2 3.26Å; Y82-Q87 WeakPolarHBondContact O-CB 3.39Å; Y82-Q87 VanDerWaalsContact O-CG 3.26Å; Y82-Q87 WeakPolarHBondContact O-CG 3.35Å; Y82-Q87 PolarHBondContact O-N 2.88Å; Y82-Q87 PolarHBondContact OH-NE2 2.7Å |
| 83 | R | 81.1 | Confident | 93.5 | Very high | 218 Ų | 218 | 79.7 Ų | 79.7 | 82% | 0.823 | 39% | 0.388 | S | S | * | . | I | π-helix | trans | -68.5 | -20.4 | -178.2 | -64.7 | -175.1 | -179.2 | -177.8 | 0.4 | 113.7 | A81 | A81-R83 PolarHBondContact O-N 3.38Å |
| 84 | G | 85.4 | Confident | 93.6 | Very high | 45 Ų | 45 | 77.4 Ų | 77.4 | 46% | 0.464 | 37% | 0.374 | S | S | . | . | I | π-helix | trans | -106.4 | -78.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A81 Y82 R88 | A81-G84 CarbonylContact O-C 3.52Å; A81-G84 PolarHBondContact O-N 2.93Å; Y82-G84 PolarHBondContact O-N 3.22Å; G84-R88 WeakPolarHBondContact O-CA 3.31Å; G84-R88 VanDerWaalsContact O-CB 3.28Å; G84-R88 WeakPolarHBondContact O-CB 3.47Å; G84-R88 PolarHBondContact O-N 2.95Å |
| 85 | I | 87.4 | Confident | 93.7 | Very high | 72 Ų | 72 | 80.7 Ų | 80.7 | 37% | 0.369 | 39% | 0.394 | S | S | . | . | I | π-helix | trans | -71.7 | -43.6 | -168 | -64.2 | 168.2 | 0 | 0 | 0 | 112.4 | A81 R88 Y118 W148 | A81-I85 HydrophobicContact CB-CB 4.38Å; A81-I85 HydrophobicContact CB-CD1 4.26Å; A81-I85 PolarHBondContact O-N 2.97Å; I85-R88 WeakPolarHBondContact O-CB 3.41Å; I85-R88 PolarHBondContact O-N 2.93Å; I85-Y118 PolarHBondContact O-OH 3.37Å; I85-W148 HydrophobicContact CD1-CH2 4.1Å; I85-W148 HydrophobicContact CG1-CH2 4.32Å; I85-W148 HydrophobicContact CG1-CZ3 4.4Å; I85-W148 HydrophobicContact CG2-CH2 4.09Å; I85-W148 HydrophobicContact CG2-CZ3 3.59Å |
| 86 | L | 89.8 | Confident | 93.7 | Very high | 66 Ų | 66 | 79 Ų | 79 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | I | π-helix | trans | -77.8 | -34.2 | -172.9 | -58.2 | -179 | 0 | 0 | 0 | 112.1 | Y78 A81 Y82 R89 | Y78-L86 HydrophobicContact CD1-CD1 4.2Å; Y78-L86 HydrophobicContact CD2-CD1 3.62Å; Y78-L86 HydrophobicContact CE1-CD1 3.86Å; Y78-L86 HydrophobicContact CE2-CD1 3.25Å; Y78-L86 HydrophobicContact CG-CD1 4.09Å; A81-L86 PolarHBondContact O-N 2.77Å; Y82-L86 HydrophobicContact CD2-CB 4.37Å; Y82-L86 HydrophobicContact CD2-CD1 4.1Å; L86-R89 PolarHBondContact O-NH1 2.81Å |
| 87 | Q | 91.8 | Very high | 93.8 | Very high | 95 Ų | 95 | 76.5 Ų | 76.5 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6.2 | 174.3 | -71.6 | -175.5 | -34.5 | 0 | 0 | 113.7 | Y82 R89 | Y82-Q87 HydrophobicContact CE1-CG 4.32Å; Y82-Q87 VanDerWaalsContact CE1-NE2 3.26Å; Y82-Q87 WeakPolarHBondContact O-CB 3.39Å; Y82-Q87 VanDerWaalsContact O-CG 3.26Å; Y82-Q87 WeakPolarHBondContact O-CG 3.35Å; Y82-Q87 PolarHBondContact O-N 2.88Å; Y82-Q87 PolarHBondContact OH-NE2 2.7Å; Q87-R89 PolarHBondContact O-N 2.9Å |
| 88 | R | 94.7 | Very high | 93.8 | Very high | 108 Ų | 108 | 74.6 Ų | 74.6 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | trans | -54.9 | 129.8 | 176.1 | -178.9 | 177 | 178 | 81.4 | -2.1 | 110.1 | G84 I85 V90 Y118 | G84-R88 WeakPolarHBondContact O-CA 3.31Å; G84-R88 VanDerWaalsContact O-CB 3.28Å; G84-R88 WeakPolarHBondContact O-CB 3.47Å; G84-R88 PolarHBondContact O-N 2.95Å; I85-R88 WeakPolarHBondContact O-CB 3.41Å; I85-R88 PolarHBondContact O-N 2.93Å; R88-V90 HydrophobicContact CG-CG2 4.26Å; R88-Y118 HydrophobicContact CB-CD1 3.88Å; R88-Y118 HydrophobicContact CB-CE1 3.74Å; R88-Y118 HydrophobicContact CG-CD1 3.7Å; R88-Y118 HydrophobicContact CG-CE1 4.02Å; R88-Y118 HydrophobicContact CG-CG 4.42Å; R88-Y118 VanDerWaalsContact O-CD1 3.31Å; R88-Y118 WeakPolarHBondContact O-CD1 3.48Å | ||
| 89 | R | 96.8 | Very high | 93.6 | Very high | 118 Ų | 118 | 74.9 Ų | 74.9 | 45% | 0.445 | 38% | 0.383 | S | S | . | . | trans | -133.4 | 130.6 | 173.3 | -65.7 | -58.3 | 177.9 | -91.7 | -2 | 107.7 | L86 Q87 Y118 | L86-R89 PolarHBondContact O-NH1 2.81Å; Q87-R89 PolarHBondContact O-N 2.9Å; R89-Y118 CarbonylContact C-O 3.51Å; R89-Y118 WeakPolarHBondContact CA-O 3.41Å | ||
| 90 | V | 97.8 | Very high | 93.5 | Very high | 39 Ų | 39 | 78.4 Ų | 78.4 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -130.8 | 125.5 | 173.6 | -172.6 | 0 | 0 | 0 | 0 | 107 | R88 D116 F117 Y118 H172 S174 | R88-V90 HydrophobicContact CG-CG2 4.26Å; V90-D116 WeakPolarHBondContact CG1-O 3.03Å; V90-F117 WeakPolarHBondContact O-CA 3.43Å; V90-Y118 PolarHBondContact N-O 3.24Å; V90-Y118 PolarHBondContact O-N 2.96Å; V90-Y118 VanDerWaalsContact O-N 3.14Å; V90-H172 PolarHBondContact O-CE1 3.47Å; V90-H172 VanDerWaalsContact O-CE1 3.27Å; V90-S174 PolarHBondContact O-OG 2.88Å |
| 91 | E | 98.4 | Very high | 93.1 | Very high | 116 Ų | 116 | 80.3 Ų | 80.3 | 54% | 0.542 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 140.3 | -179 | -63.5 | -175 | 168.9 | 0 | 0 | 111.6 | S174 L175 | E91-S174 VanDerWaalsContact CA-OG 3.25Å; E91-S174 WeakPolarHBondContact CA-OG 3.44Å; E91-S174 WeakPolarHBondContact CG-OG 3.44Å; E91-L175 HydrophobicContact CB-CD2 4.01Å; E91-L175 HydrophobicContact CG-CD2 3.75Å |
| 92 | P | 98.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 83.4 Ų | 83.4 | 5% | 0.052 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 146.8 | 174.9 | 24.2 | -29.1 | 0 | 0 | 0 | 112.1 | V94 V114 T115 F117 V170 H172 L175 I179 | P92-V94 HydrophobicContact CB-CG2 4.38Å; P92-V114 HydrophobicContact CB-CG1 3.47Å; P92-V114 VanDerWaalsContact CB-CG1 3.47Å; P92-V114 HydrophobicContact CG-CG1 4.32Å; P92-T115 CarbonylContact C-O 3.58Å; P92-T115 VanDerWaalsContact CA-O 3.28Å; P92-T115 WeakPolarHBondContact CA-O 3.36Å; P92-F117 HydrophobicContact CB-CB 3.8Å; P92-F117 HydrophobicContact CB-CD1 4.24Å; P92-F117 HydrophobicContact CB-CG 4.34Å; P92-F117 HydrophobicContact CG-CB 4.42Å; P92-V170 HydrophobicContact CG-CG1 4.02Å; P92-H172 HydrophobicContact CG-CB 4.34Å; P92-L175 HydrophobicContact CG-CD1 4.17Å; P92-I179 HydrophobicContact CG-CD1 4.17Å |
| 93 | T | 98.5 | Very high | 92.1 | Very high | 78 Ų | 78 | 80.7 Ų | 80.7 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.6 | 157.3 | -59.5 | 0 | 0 | 0 | 0 | 108.5 | V114 T115 | T93-V114 WeakPolarHBondContact O-CA 3.4Å; T93-T115 PolarHBondContact N-O 2.79Å; T93-T115 PolarHBondContact O-N 3.46Å |
| 94 | V | 98.6 | Very high | 92 | Very high | 20 Ų | 20 | 74 Ų | 74 | 12% | 0.121 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.3 | -178.2 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | P92 S113 V114 V170 I179 V181 | P92-V94 HydrophobicContact CB-CG2 4.38Å; V94-S113 WeakPolarHBondContact CA-O 3.36Å; V94-V114 HydrophobicContact CG1-CG2 4.48Å; V94-V114 HydrophobicContact CG2-CG1 4.32Å; V94-V114 HydrophobicContact CG2-CG2 4.47Å; V94-V170 HydrophobicContact CG1-CG2 4.09Å; V94-V170 HydrophobicContact CG2-CB 4.19Å; V94-V170 HydrophobicContact CG2-CG1 4.43Å; V94-V170 HydrophobicContact CG2-CG2 3.79Å; V94-I179 HydrophobicContact CB-CG2 4.11Å; V94-I179 HydrophobicContact CG2-CB 4.32Å; V94-I179 HydrophobicContact CG2-CD1 4.11Å; V94-I179 HydrophobicContact CG2-CG2 3.88Å; V94-V181 HydrophobicContact CB-CG2 3.81Å; V94-V181 HydrophobicContact CG1-CB 4.21Å; V94-V181 HydrophobicContact CG1-CG2 3.6Å |
| 95 | T | 98.3 | Very high | 92 | Very high | 72 Ų | 72 | 77.5 Ų | 77.5 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144.4 | 174.6 | 55 | 0 | 0 | 0 | 0 | 109.9 | C112 S113 | T95-C112 WeakPolarHBondContact O-CA 3.32Å; T95-S113 PolarHBondContact N-O 3.42Å; T95-S113 PolarHBondContact O-N 3.22Å; T95-S113 WeakPolarHBondContact OG1-CB 3.33Å |
| 96 | I | 97.8 | Very high | 92 | Very high | 28 Ų | 28 | 80.1 Ų | 80.1 | 14% | 0.144 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.9 | 173.4 | -60.7 | 177 | 0 | 0 | 0 | 108.9 | L110 I111 W126 C168 V181 W183 | I96-L110 HydrophobicContact CG2-CD1 3.55Å; I96-L110 HydrophobicContact CG2-CD2 3.9Å; I96-L110 HydrophobicContact CG2-CG 3.57Å; I96-I111 WeakPolarHBondContact CA-O 3.28Å; I96-W126 HydrophobicContact CD1-CH2 3.89Å; I96-W126 HydrophobicContact CD1-CZ3 3.93Å; I96-W126 HydrophobicContact CG1-CH2 4.07Å; I96-W126 HydrophobicContact CG2-CH2 3.89Å; I96-C168 HydrophobicContact CD1-CB 3.63Å; I96-C168 HydrophobicContact CG1-CB 3.99Å; I96-V181 HydrophobicContact CD1-CB 3.92Å; I96-V181 HydrophobicContact CD1-CG1 3.84Å; I96-V181 WeakPolarHBondContact CD1-O 3.43Å; I96-V181 HydrophobicContact CG1-CB 4.21Å; I96-V181 HydrophobicContact CG1-CG1 3.93Å; I96-W183 HydrophobicContact CB-CB 4.2Å; I96-W183 HydrophobicContact CD1-CB 4.19Å; I96-W183 HydrophobicContact CG2-CB 3.6Å; I96-W183 HydrophobicContact CG2-CG 3.85Å |
| 97 | S | 95.8 | Very high | 92 | Very high | 48 Ų | 48 | 82.8 Ų | 82.8 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 143.4 | 173.9 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | I111 | S97-I111 PolarHBondContact N-O 3.23Å; S97-I111 WeakPolarHBondContact O-CB 3.4Å; S97-I111 PolarHBondContact O-N 2.93Å |
| 98 | P | 95.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 78.7 Ų | 78.7 | 29% | 0.286 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 147.6 | 170.9 | 33.5 | -35.3 | 0 | 0 | 0 | 110.1 | R100 L109 L110 | P98-R100 WeakPolarHBondContact CB-O 3.44Å; P98-R100 PolarHBondContact O-N 2.93Å; P98-L109 CarbonylContact C-O 3.58Å; P98-L109 WeakPolarHBondContact CA-O 3.49Å; P98-L110 HydrophobicContact CB-CD1 4.33Å |
| 99 | S | 92.4 | Very high | 92.1 | Very high | 48 Ų | 48 | 76.2 Ų | 76.2 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -66.2 | -25.3 | 179.6 | 75.7 | 0 | 0 | 0 | 0 | 113.3 | N108 L109 | S99-N108 PolarHBondContact OG-OD1 3.32Å; S99-L109 PolarHBondContact N-O 2.82Å |
| 100 | R | 89.3 | Confident | 92.1 | Very high | 198 Ų | 198 | 70.6 Ų | 70.6 | 75% | 0.747 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -146.2 | 162.7 | 179.9 | -56.8 | 179.7 | -154.3 | -168.2 | 4.8 | 109.1 | P98 E102 N108 | P98-R100 WeakPolarHBondContact CB-O 3.44Å; P98-R100 PolarHBondContact O-N 2.93Å; R100-E102 PolarHBondContact O-N 3.33Å; R100-N108 PolarHBondContact N-OD1 3.01Å; R100-N108 PolarHBondContact O-ND2 2.81Å |
| 101 | T | 85.5 | Confident | 92.1 | Very high | 139 Ų | 139 | 70.3 Ų | 70.3 | 85% | 0.853 | 37% | 0.373 | S | S | * | . | trans | -49 | 130.6 | 173.7 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 102 | E | 79.6 | Confident | 92.1 | Very high | 89 Ų | 89 | 64.8 Ų | 64.8 | 42% | 0.416 | 35% | 0.347 | S | S | . | . | trans | -69.3 | 136.8 | -174.9 | -166.4 | -168.8 | 166.1 | 0 | 0 | 111.7 | R100 P160 W183 | R100-E102 PolarHBondContact O-N 3.33Å; E102-P160 HydrophobicContact CG-CG 4.05Å; E102-W183 HydrophobicContact CG-CH2 4.03Å; E102-W183 HydrophobicContact CG-CZ2 4.18Å; E102-W183 WeakPolarHBondContact OE1-CH2 3.36Å; E102-W183 VanDerWaalsContact OE2-CZ2 3.3Å; E102-W183 WeakPolarHBondContact OE2-CZ2 2.81Å | ||
| 103 | A | 81.1 | Confident | 92.1 | Very high | 46 Ų | 46 | 65.5 Ų | 65.5 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | trans | -137 | 123.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | H106 | A103-H106 HydrophobicContact CB-CB 4.08Å; A103-H106 WeakPolarHBondContact O-CB 3.39Å; A103-H106 PolarHBondContact O-N 2.78Å; A103-H106 VanDerWaalsContact O-N 3.14Å | ||
| 104 | L | 79.9 | Confident | 92.1 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 41% | 0.408 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 141.3 | -179.8 | -68.6 | 174.9 | 0 | 0 | 0 | 110.8 | H106 | L104-H106 PolarHBondContact O-CD2 2.99Å; L104-H106 VanDerWaalsContact O-CD2 3.29Å; L104-H106 PolarHBondContact O-N 3.18Å |
| 105 | N | 84.8 | Confident | 92.1 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 14 | -177.7 | -48.9 | -56.9 | 0 | 0 | 0 | 115.2 | T159 P160 | N105-T159 VanDerWaalsContact C-CG2 3.5Å; N105-P160 PolarHBondContact N-O 2.86Å |
| 106 | H | 86.7 | Confident | 92.1 | Very high | 127 Ų | 127 | 62.2 Ų | 62.2 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -109.5 | 142.9 | 170.4 | -69.7 | -86.9 | 0 | 0 | 0 | 111 | A103 L104 N108 P160 | A103-H106 HydrophobicContact CB-CB 4.08Å; A103-H106 WeakPolarHBondContact O-CB 3.39Å; A103-H106 PolarHBondContact O-N 2.78Å; A103-H106 VanDerWaalsContact O-N 3.14Å; L104-H106 PolarHBondContact O-CD2 2.99Å; L104-H106 VanDerWaalsContact O-CD2 3.29Å; L104-H106 PolarHBondContact O-N 3.18Å; H106-N108 PolarHBondContact O-N 3.22Å; H106-P160 WeakPolarHBondContact O-CD 3.33Å |
| 107 | H | 90.3 | Very high | 92.1 | Very high | 123 Ų | 123 | 60.9 Ų | 60.9 | 57% | 0.569 | 32% | 0.323 | S | S | * | . | trans | -60.7 | 133.6 | 177.4 | 177.3 | -81.6 | 0 | 0 | 0 | 111.7 | M158 | H107-M158 WeakPolarHBondContact CA-O 3.42Š| ||
| 108 | N | 93 | Very high | 92.2 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 172 | 174.1 | -154.3 | -12.2 | 0 | 0 | 0 | 110.6 | S99 R100 H106 M158 | S99-N108 PolarHBondContact OG-OD1 3.32Å; R100-N108 PolarHBondContact N-OD1 3.01Å; R100-N108 PolarHBondContact O-ND2 2.81Å; H106-N108 PolarHBondContact O-N 3.22Å; N108-M158 HydrophobicContact CB-CE 4.23Å; N108-M158 HydrophobicContact CB-SD 4.1Å; N108-M158 PolarHBondContact N-O 3.49Å; N108-M158 PolarHBondContact O-N 3.26Å; N108-M158 VanDerWaalsContact O-O 3.09Å |
| 109 | L | 95.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 59.2 Ų | 59.2 | 29% | 0.288 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.3 | 169.6 | -73.5 | 166.2 | 0 | 0 | 0 | 108.4 | P98 S99 L156 E157 | P98-L109 CarbonylContact C-O 3.58Å; P98-L109 WeakPolarHBondContact CA-O 3.49Å; S99-L109 PolarHBondContact N-O 2.82Å; L109-L156 WeakPolarHBondContact CA-O 3.47Å; L109-E157 HydrophobicContact CD2-CB 4.25Å; L109-E157 HydrophobicContact CD2-CG 3.44Å; L109-E157 VanDerWaalsContact CD2-CG 3.44Å |
| 110 | L | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.5 | 170.9 | -163.4 | 64.9 | 0 | 0 | 0 | 109 | I96 P98 W126 M155 L156 M158 Y166 W183 | I96-L110 HydrophobicContact CG2-CD1 3.55Å; I96-L110 HydrophobicContact CG2-CD2 3.9Å; I96-L110 HydrophobicContact CG2-CG 3.57Å; P98-L110 HydrophobicContact CB-CD1 4.33Å; L110-W126 HydrophobicContact CB-CH2 4.24Å; L110-W126 HydrophobicContact CB-CZ2 4.39Å; L110-W126 HydrophobicContact CD2-CH2 3.51Å; L110-W126 HydrophobicContact CD2-CZ2 4.41Å; L110-W126 HydrophobicContact CD2-CZ3 3.6Å; L110-W126 HydrophobicContact CG-CH2 3.64Å; L110-W126 HydrophobicContact CG-CZ2 4.23Å; L110-W126 HydrophobicContact CG-CZ3 4.26Å; L110-M155 CarbonylContact O-C 3.59Å; L110-M155 VanDerWaalsContact O-CA 3.27Å; L110-M155 WeakPolarHBondContact O-CA 3.39Å; L110-L156 PolarHBondContact N-O 3.15Å; L110-L156 PolarHBondContact O-N 3.25Å; L110-M158 HydrophobicContact CB-CE 4.18Å; L110-M158 HydrophobicContact CB-CG 4.22Å; L110-M158 HydrophobicContact CD1-CE 4.26Å; L110-Y166 HydrophobicContact CD2-CD1 4.38Å; L110-Y166 HydrophobicContact CD2-CD2 4.42Å; L110-Y166 HydrophobicContact CD2-CG 3.87Å; L110-W183 HydrophobicContact CD1-CD2 3.57Å; L110-W183 HydrophobicContact CD1-CE3 3.99Å; L110-W183 HydrophobicContact CD1-CG 3.8Å; L110-W183 HydrophobicContact CD1-CZ2 4.33Å; L110-W183 HydrophobicContact CD2-CB 4.16Å; L110-W183 HydrophobicContact CD2-CD2 4.01Å; L110-W183 HydrophobicContact CD2-CE3 3.8Å; L110-W183 HydrophobicContact CD2-CG 4.18Å; L110-W183 HydrophobicContact CG-CD2 4.47Å |
| 111 | I | 98.2 | Very high | 92.9 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 17% | 0.174 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 118 | -171.1 | -48 | 179.5 | 0 | 0 | 0 | 108.6 | I96 S97 L153 M155 | I96-I111 WeakPolarHBondContact CA-O 3.28Å; S97-I111 PolarHBondContact N-O 3.23Å; S97-I111 WeakPolarHBondContact O-CB 3.4Å; S97-I111 PolarHBondContact O-N 2.93Å; I111-L153 HydrophobicContact CG2-CB 4.37Å; I111-L153 HydrophobicContact CG2-CD2 4.45Å; I111-M155 HydrophobicContact CG1-CG 4.16Å; I111-M155 HydrophobicContact CG2-CG 4.14Å |
| 112 | C | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 106 | 166.9 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | T95 W126 V154 C168 | T95-C112 WeakPolarHBondContact O-CA 3.32Å; C112-W126 HydrophobicContact CB-CH2 3.98Å; C112-W126 HydrophobicContact CB-CZ2 3.44Å; C112-W126 VanDerWaalsContact CB-CZ2 3.44Å; C112-V154 PolarHBondContact N-O 3.23Å; C112-V154 PolarHBondContact O-N 2.63Å; C112-C168 HydrophobicContact CB-CB 3.63Å; C112-C168 WeakPolarHBondContact CB-SG 3.31Å; C112-C168 WeakPolarHBondContact SG-CB 3.41Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 2.96Å |
| 113 | S | 98.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.9 | 177.1 | -60 | 0 | 0 | 0 | 0 | 108.9 | V94 T95 L153 | V94-S113 WeakPolarHBondContact CA-O 3.36Å; T95-S113 PolarHBondContact N-O 3.42Å; T95-S113 PolarHBondContact O-N 3.22Å; T95-S113 WeakPolarHBondContact OG1-CB 3.33Å; S113-L153 WeakPolarHBondContact OG-CD2 3.31Å |
| 114 | V | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 110.5 | 179.7 | -171.3 | 0 | 0 | 0 | 0 | 108.2 | P92 T93 V94 F117 I122 V124 Q151 I152 V170 | P92-V114 HydrophobicContact CB-CG1 3.47Å; P92-V114 VanDerWaalsContact CB-CG1 3.47Å; P92-V114 HydrophobicContact CG-CG1 4.32Å; T93-V114 WeakPolarHBondContact O-CA 3.4Å; V94-V114 HydrophobicContact CG1-CG2 4.48Å; V94-V114 HydrophobicContact CG2-CG1 4.32Å; V94-V114 HydrophobicContact CG2-CG2 4.47Å; V114-F117 HydrophobicContact CB-CE1 4.47Å; V114-F117 HydrophobicContact CG1-CD1 3.95Å; V114-F117 HydrophobicContact CG1-CE1 4.04Å; V114-F117 WeakPolarHBondContact O-CE1 3.14Å; V114-I122 HydrophobicContact CG1-CD1 3.52Å; V114-V124 HydrophobicContact CG2-CG1 4.36Å; V114-V124 HydrophobicContact CG2-CG2 4.04Å; V114-Q151 CarbonylContact O-C 3.49Å; V114-Q151 VanDerWaalsContact O-CA 3.25Å; V114-Q151 WeakPolarHBondContact O-CA 3.48Å; V114-I152 HydrophobicContact CB-CG2 3.88Å; V114-I152 HydrophobicContact CG2-CG2 4.44Å; V114-I152 PolarHBondContact N-O 3.48Å; V114-I152 PolarHBondContact O-N 3.37Å; V114-V170 HydrophobicContact CG1-CG1 4.12Å; V114-V170 HydrophobicContact CG2-CG2 3.89Å |
| 115 | T | 98.7 | Very high | 96.2 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 18% | 0.184 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 165.2 | -169.9 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | P92 T93 F117 Q151 | P92-T115 CarbonylContact C-O 3.58Å; P92-T115 VanDerWaalsContact CA-O 3.28Å; P92-T115 WeakPolarHBondContact CA-O 3.36Å; T93-T115 PolarHBondContact N-O 2.79Å; T93-T115 PolarHBondContact O-N 3.46Å; T115-F117 VanDerWaalsContact C-N 3.26Å; T115-F117 PolarHBondContact O-N 3.33Å; T115-Q151 HydrophobicContact CG2-CB 4.16Å |
| 116 | D | 98.1 | Very high | 96.8 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.5 | 23.2 | 167.1 | -48.8 | -53.5 | 0 | 0 | 0 | 115.9 | V90 F150 | V90-D116 WeakPolarHBondContact CG1-O 3.03Å; D116-F150 PolarHBondContact N-O 3.01Å |
| 117 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 156.7 | -176.8 | 65 | -90.1 | 0 | 0 | 0 | 114 | V90 P92 V114 T115 P119 I122 V142 T149 F150 I152 H172 | V90-F117 WeakPolarHBondContact O-CA 3.43Å; P92-F117 HydrophobicContact CB-CB 3.8Å; P92-F117 HydrophobicContact CB-CD1 4.24Å; P92-F117 HydrophobicContact CB-CG 4.34Å; P92-F117 HydrophobicContact CG-CB 4.42Å; V114-F117 HydrophobicContact CB-CE1 4.47Å; V114-F117 HydrophobicContact CG1-CD1 3.95Å; V114-F117 HydrophobicContact CG1-CE1 4.04Å; V114-F117 WeakPolarHBondContact O-CE1 3.14Å; T115-F117 VanDerWaalsContact C-N 3.26Å; T115-F117 PolarHBondContact O-N 3.33Å; F117-P119 WeakPolarHBondContact CD2-O 3.38Å; F117-I122 HydrophobicContact CD1-CD1 3.93Å; F117-I122 HydrophobicContact CD2-CB 4.41Å; F117-I122 HydrophobicContact CD2-CD1 3.89Å; F117-I122 HydrophobicContact CE1-CD1 3.85Å; F117-I122 HydrophobicContact CE2-CB 3.85Å; F117-I122 HydrophobicContact CE2-CD1 3.83Å; F117-I122 HydrophobicContact CE2-CG1 4.47Å; F117-I122 HydrophobicContact CE2-CG2 3.82Å; F117-I122 HydrophobicContact CG-CD1 3.95Å; F117-I122 HydrophobicContact CZ-CB 4.22Å; F117-I122 HydrophobicContact CZ-CD1 3.82Å; F117-I122 HydrophobicContact CZ-CG2 3.77Å; F117-V142 HydrophobicContact CE2-CG1 4.45Å; F117-V142 HydrophobicContact CZ-CG1 4.17Å; F117-T149 CarbonylContact O-C 3.5Å; F117-T149 WeakPolarHBondContact O-CA 3.35Å; F117-F150 VanDerWaalsContact CD1-O 3.26Å; F117-F150 WeakPolarHBondContact CD1-O 3.26Å; F117-F150 HydrophobicContact CD2-CB 4.09Å; F117-F150 HydrophobicContact CE1-CB 4.27Å; F117-F150 WeakPolarHBondContact CE1-O 3.33Å; F117-F150 HydrophobicContact CE2-CB 3.69Å; F117-F150 HydrophobicContact CZ-CB 3.78Å; F117-F150 PolarHBondContact N-O 3.31Å; F117-F150 PolarHBondContact O-N 3.08Å; F117-I152 HydrophobicContact CE1-CG2 4.01Å; F117-I152 HydrophobicContact CZ-CG2 4.05Å; F117-H172 AromaticContact CD2-CD2 3.96Å; F117-H172 AromaticContact CD2-NE2 3.75Å |
| 118 | Y | 97.9 | Very high | 97.7 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -154.5 | 137.3 | 171 | -177.4 | -81.2 | 0 | 0 | 0 | 110.6 | I85 R88 R89 V90 W148 F150 H172 | I85-Y118 PolarHBondContact O-OH 3.37Å; R88-Y118 HydrophobicContact CB-CD1 3.88Å; R88-Y118 HydrophobicContact CB-CE1 3.74Å; R88-Y118 HydrophobicContact CG-CD1 3.7Å; R88-Y118 HydrophobicContact CG-CE1 4.02Å; R88-Y118 HydrophobicContact CG-CG 4.42Å; R88-Y118 VanDerWaalsContact O-CD1 3.31Å; R88-Y118 WeakPolarHBondContact O-CD1 3.48Å; R89-Y118 CarbonylContact C-O 3.51Å; R89-Y118 WeakPolarHBondContact CA-O 3.41Å; V90-Y118 PolarHBondContact N-O 3.24Å; V90-Y118 PolarHBondContact O-N 2.96Å; V90-Y118 VanDerWaalsContact O-N 3.14Å; Y118-W148 WeakPolarHBondContact CD2-O 3.28Å; Y118-W148 HydrophobicContact CE2-CE3 4.08Å; Y118-F150 HydrophobicContact CD2-CD2 4.05Å; Y118-F150 AromaticContact CD2-CE2 3.55Å; Y118-F150 HydrophobicContact CD2-CE2 3.55Å; Y118-F150 AromaticContact CE2-CE2 3.91Å; Y118-F150 HydrophobicContact CE2-CE2 3.91Å; Y118-H172 VanDerWaalsContact C-CE1 3.42Å; Y118-H172 PolarHBondContact O-CE1 3.27Å |
| 119 | P | 97.2 | Very high | 97.8 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | S | Bend | cis | -76.5 | 179.6 | 6.3 | 33.1 | -38.8 | 0 | 0 | 0 | 113.7 | F117 H121 H172 | F117-P119 WeakPolarHBondContact CD2-O 3.38Å; P119-H121 PolarHBondContact O-N 2.87Å; P119-H172 PolarHBondContact O-NE2 2.94Å |
| 120 | S | 97.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 44 Ų | 44 | 39% | 0.385 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -69.4 | -16.5 | -176.4 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | I122 | S120-I122 PolarHBondContact O-N 2.62Š|
| 121 | H | 96.7 | Very high | 97.8 | Very high | 138 Ų | 138 | 50.8 Ų | 50.8 | 64% | 0.639 | 26% | 0.255 | S | S | * | . | trans | -76.8 | 115 | -178.8 | 176.3 | -79.9 | 0 | 0 | 0 | 110.1 | P119 H172 P173 | P119-H121 PolarHBondContact O-N 2.87Å; H121-H172 PolarHBondContact O-CD2 3.2Å; H121-H172 VanDerWaalsContact O-CD2 3.27Å; H121-P173 WeakPolarHBondContact O-CD 3.5Å | ||
| 122 | I | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | trans | -142.5 | 153 | -176.8 | -165.3 | 161.3 | 0 | 0 | 0 | 110 | V114 F117 S120 V124 I152 V170 H172 | V114-I122 HydrophobicContact CG1-CD1 3.52Å; F117-I122 HydrophobicContact CD1-CD1 3.93Å; F117-I122 HydrophobicContact CD2-CB 4.41Å; F117-I122 HydrophobicContact CD2-CD1 3.89Å; F117-I122 HydrophobicContact CE1-CD1 3.85Å; F117-I122 HydrophobicContact CE2-CB 3.85Å; F117-I122 HydrophobicContact CE2-CD1 3.83Å; F117-I122 HydrophobicContact CE2-CG1 4.47Å; F117-I122 HydrophobicContact CE2-CG2 3.82Å; F117-I122 HydrophobicContact CG-CD1 3.95Å; F117-I122 HydrophobicContact CZ-CB 4.22Å; F117-I122 HydrophobicContact CZ-CD1 3.82Å; F117-I122 HydrophobicContact CZ-CG2 3.77Å; S120-I122 PolarHBondContact O-N 2.62Å; I122-V124 HydrophobicContact CD1-CG2 4.36Å; I122-V124 HydrophobicContact CG1-CG2 4.12Å; I122-I152 HydrophobicContact CG2-CG2 4.17Å; I122-V170 HydrophobicContact CD1-CG1 3.84Å; I122-V170 HydrophobicContact CG1-CG1 4.11Å; I122-H172 HydrophobicContact CD1-CB 4.36Å; I122-H172 HydrophobicContact CG1-CB 4.2Å | ||
| 123 | K | 98.6 | Very high | 97.7 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.8 | 172.6 | 179 | -176.6 | 177.3 | -156 | 0 | 108.9 | E171 | K123-E171 HydrophobicContact CB-CB 4.2Å; K123-E171 PolarHBondContact N-O 3.41Å; K123-E171 IonicContact NZ-OE1 2.82Å; K123-E171 PolarHBondContact NZ-OE1 3.02Å; K123-E171 VanDerWaalsContact NZ-OE1 3.13Å; K123-E171 IonicContact NZ-OE2 3.86Å; K123-E171 PolarHBondContact O-N 3.3Å |
| 124 | V | 98.6 | Very high | 97.6 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.1 | -177.5 | -176.9 | 0 | 0 | 0 | 0 | 108 | V114 I122 I152 V154 C168 H169 V170 | V114-V124 HydrophobicContact CG2-CG1 4.36Å; V114-V124 HydrophobicContact CG2-CG2 4.04Å; I122-V124 HydrophobicContact CD1-CG2 4.36Å; I122-V124 HydrophobicContact CG1-CG2 4.12Å; V124-I152 HydrophobicContact CG2-CG2 4.31Å; V124-V154 HydrophobicContact CB-CG2 3.78Å; V124-V154 HydrophobicContact CG1-CB 3.91Å; V124-V154 HydrophobicContact CG1-CG1 4.34Å; V124-V154 HydrophobicContact CG1-CG2 3.67Å; V124-V154 HydrophobicContact CG2-CG2 4.31Å; V124-C168 VanDerWaalsContact CG1-SG 3.58Å; V124-H169 CarbonylContact C-O 3.6Å; V124-H169 WeakPolarHBondContact CA-O 3.4Å; V124-V170 HydrophobicContact CG1-CG2 4.15Å; V124-V170 HydrophobicContact CG2-CG1 4.39Å; V124-V170 HydrophobicContact CG2-CG2 4.23Å |
| 125 | R | 98.6 | Very high | 97.5 | Very high | 52 Ų | 52 | 63.8 Ų | 63.8 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.2 | -176.8 | -68.3 | -174 | -78.3 | 162.3 | 0.2 | 110.4 | F127 E132 H169 E171 | R125-F127 HydrophobicContact CB-CD2 4.45Å; R125-F127 HydrophobicContact CB-CE2 3.78Å; R125-E132 WeakPolarHBondContact CD-OE1 3.45Å; R125-E132 IonicContact CZ-OE2 3.14Å; R125-E132 IonicContact NH1-OE2 2.86Å; R125-E132 PolarHBondContact NH1-OE2 2.77Å; R125-H169 HydrophobicContact CB-CB 4.47Å; R125-H169 PolarHBondContact N-O 2.81Å; R125-H169 PolarHBondContact NH2-CE1 2.62Å; R125-H169 PolarHBondContact NH2-ND1 3.22Å; R125-H169 PolarHBondContact O-N 2.93Å; R125-E171 IonicContact CZ-OE1 3.13Å; R125-E171 IonicContact NE-OE1 3.39Å; R125-E171 PolarHBondContact NE-OE1 2.98Å; R125-E171 IonicContact NH2-OE1 3.88Å; R125-E171 PolarHBondContact NH2-OE1 2.84Å |
| 126 | W | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 143.7 | 171.6 | -82.9 | 109.9 | 0 | 0 | 0 | 110.2 | I96 L110 C112 E133 V137 V154 L156 T167 C168 | I96-W126 HydrophobicContact CD1-CH2 3.89Å; I96-W126 HydrophobicContact CD1-CZ3 3.93Å; I96-W126 HydrophobicContact CG1-CH2 4.07Å; I96-W126 HydrophobicContact CG2-CH2 3.89Å; L110-W126 HydrophobicContact CB-CH2 4.24Å; L110-W126 HydrophobicContact CB-CZ2 4.39Å; L110-W126 HydrophobicContact CD2-CH2 3.51Å; L110-W126 HydrophobicContact CD2-CZ2 4.41Å; L110-W126 HydrophobicContact CD2-CZ3 3.6Å; L110-W126 HydrophobicContact CG-CH2 3.64Å; L110-W126 HydrophobicContact CG-CZ2 4.23Å; L110-W126 HydrophobicContact CG-CZ3 4.26Å; C112-W126 HydrophobicContact CB-CH2 3.98Å; C112-W126 HydrophobicContact CB-CZ2 3.44Å; C112-W126 VanDerWaalsContact CB-CZ2 3.44Å; W126-E133 HydrophobicContact CB-CB 4.27Å; W126-E133 PolarHBondContact O-N 3.48Å; W126-V137 HydrophobicContact CB-CG2 4.23Å; W126-V137 HydrophobicContact CG-CG2 4.46Å; W126-V154 PolarHBondContact NE1-O 2.03Å; W126-V154 VanDerWaalsContact NE1-O 3.12Å; W126-L156 HydrophobicContact CB-CD2 4.23Å; W126-L156 HydrophobicContact CD2-CB 4.01Å; W126-L156 HydrophobicContact CD2-CD2 4.12Å; W126-L156 HydrophobicContact CE3-CD2 4.23Å; W126-L156 HydrophobicContact CG-CB 3.95Å; W126-L156 HydrophobicContact CG-CD2 4.14Å; W126-L156 HydrophobicContact CG-CG 4.49Å; W126-L156 HydrophobicContact CZ2-CB 4.48Å; W126-T167 CarbonylContact C-O 3.56Å; W126-T167 WeakPolarHBondContact CA-O 3.47Å; W126-C168 HydrophobicContact CE3-CB 4.32Å; W126-C168 HydrophobicContact CH2-CB 4.09Å; W126-C168 HydrophobicContact CZ2-CB 4.5Å; W126-C168 HydrophobicContact CZ3-CB 3.99Å |
| 127 | F | 98.3 | Very high | 97.3 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146.3 | 169.6 | -67.1 | -106.1 | 0 | 0 | 0 | 108.9 | R125 Q131 E132 Y166 T167 H169 | R125-F127 HydrophobicContact CB-CD2 4.45Å; R125-F127 HydrophobicContact CB-CE2 3.78Å; F127-Q131 CarbonylContact C-O 3.51Å; F127-Q131 WeakPolarHBondContact CA-O 3.48Å; F127-E132 HydrophobicContact CD1-CB 4.02Å; F127-E132 HydrophobicContact CE1-CB 3.63Å; F127-E132 HydrophobicContact CE1-CG 4.25Å; F127-E132 HydrophobicContact CE2-CG 4.44Å; F127-E132 HydrophobicContact CZ-CB 3.97Å; F127-E132 HydrophobicContact CZ-CG 4.08Å; F127-Y166 CarbonylContact O-C 3.58Å; F127-Y166 WeakPolarHBondContact O-CA 3.5Å; F127-T167 PolarHBondContact N-O 2.93Å; F127-T167 PolarHBondContact O-N 2.88Å; F127-H169 HydrophobicContact CD2-CB 3.91Å; F127-H169 HydrophobicContact CE2-CB 3.68Å; F127-H169 AromaticContact CE2-ND1 3.7Å |
| 128 | R | 96.9 | Very high | 97.2 | Very high | 62 Ų | 62 | 66.6 Ų | 66.6 | 23% | 0.234 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.5 | 168.3 | 179.8 | -175.4 | 178 | 177.5 | 3.2 | 107.6 | D130 Q131 E133 D164 V165 Y166 | R128-D130 VanDerWaalsContact C-N 3.26Å; R128-D130 PolarHBondContact O-N 3.22Å; R128-Q131 PolarHBondContact N-O 3.47Å; R128-Q131 PolarHBondContact O-N 2.84Å; R128-E133 HydrophobicContact CB-CG 3.54Å; R128-D164 IonicContact CZ-OD1 3.34Å; R128-D164 IonicContact CZ-OD2 3.43Å; R128-D164 IonicContact NE-OD1 2.94Å; R128-D164 PolarHBondContact NE-OD1 3.49Å; R128-D164 IonicContact NE-OD2 3.51Å; R128-D164 IonicContact NH2-OD1 2.88Å; R128-D164 PolarHBondContact NH2-OD1 2.94Å; R128-D164 IonicContact NH2-OD2 2.78Å; R128-D164 PolarHBondContact NH2-OD2 3.49Å; R128-V165 WeakPolarHBondContact CA-O 3.47Å; R128-Y166 HydrophobicContact CB-CD1 4.2Å; R128-Y166 HydrophobicContact CB-CE1 4.2Å; R128-Y166 HydrophobicContact CG-CD1 4.24Å; R128-Y166 HydrophobicContact CG-CE1 3.89Å |
| 129 | N | 95.6 | Very high | 97.2 | Very high | 76 Ų | 76 | 68.5 Ų | 68.5 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 49 | -179 | -52.7 | -35.1 | 0 | 0 | 0 | 111.9 | Q131 D164 V165 | N129-Q131 PolarHBondContact O-N 3.45Å; N129-Q131 VanDerWaalsContact O-N 3.14Å; N129-D164 PolarHBondContact ND2-OD1 3.41Å; N129-D164 WeakPolarHBondContact OD1-CA 3.45Å; N129-V165 PolarHBondContact N-O 2.91Å; N129-V165 PolarHBondContact OD1-N 3.15Å |
| 130 | D | 94.6 | Very high | 97.3 | Very high | 143 Ų | 143 | 68.7 Ų | 68.7 | 77% | 0.765 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 6.4 | -177.6 | -56.9 | -49.7 | 0 | 0 | 0 | 116.8 | R128 | R128-D130 VanDerWaalsContact C-N 3.26Å; R128-D130 PolarHBondContact O-N 3.22Å |
| 131 | Q | 96.8 | Very high | 97.3 | Very high | 143 Ų | 143 | 71.3 Ų | 71.3 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.7 | 174 | -61.1 | -169 | -5.2 | 0 | 0 | 110.7 | F127 R128 N129 E133 | F127-Q131 CarbonylContact C-O 3.51Å; F127-Q131 WeakPolarHBondContact CA-O 3.48Å; R128-Q131 PolarHBondContact N-O 3.47Å; R128-Q131 PolarHBondContact O-N 2.84Å; N129-Q131 PolarHBondContact O-N 3.45Å; N129-Q131 VanDerWaalsContact O-N 3.14Å; Q131-E133 PolarHBondContact O-N 3.27Å |
| 132 | E | 97.8 | Very high | 97.4 | Very high | 93 Ų | 93 | 67.6 Ų | 67.6 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 121.4 | -180 | -172.3 | 169.5 | 160.6 | 0 | 0 | 110.3 | R125 F127 T134 | R125-E132 WeakPolarHBondContact CD-OE1 3.45Å; R125-E132 IonicContact CZ-OE2 3.14Å; R125-E132 IonicContact NH1-OE2 2.86Å; R125-E132 PolarHBondContact NH1-OE2 2.77Å; F127-E132 HydrophobicContact CD1-CB 4.02Å; F127-E132 HydrophobicContact CE1-CB 3.63Å; F127-E132 HydrophobicContact CE1-CG 4.25Å; F127-E132 HydrophobicContact CE2-CG 4.44Å; F127-E132 HydrophobicContact CZ-CB 3.97Å; F127-E132 HydrophobicContact CZ-CG 4.08Å; E132-T134 HydrophobicContact CG-CG2 4.36Å |
| 133 | E | 96.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.9 | 177.8 | -72.6 | -67.6 | 179.4 | 0 | 0 | 109.7 | W126 R128 Q131 V137 L156 | W126-E133 HydrophobicContact CB-CB 4.27Å; W126-E133 PolarHBondContact O-N 3.48Å; R128-E133 HydrophobicContact CB-CG 3.54Å; Q131-E133 PolarHBondContact O-N 3.27Å; E133-V137 WeakPolarHBondContact O-CG2 3.39Å; E133-L156 HydrophobicContact CB-CD1 4.24Å |
| 134 | T | 96.9 | Very high | 97.3 | Very high | 109 Ų | 109 | 73.7 Ų | 73.7 | 67% | 0.669 | 40% | 0.402 | S | S | * | . | trans | -121.5 | -23.1 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | E132 | E132-T134 HydrophobicContact CG-CG2 4.36Š| ||
| 135 | A | 96.3 | Very high | 97.3 | Very high | 72 Ų | 72 | 75 Ų | 75 | 60% | 0.595 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 136.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V137 | A135-V137 PolarHBondContact O-N 3.18Š|
| 136 | G | 94.7 | Very high | 97.1 | Very high | 31 Ų | 31 | 75.8 Ų | 75.8 | 32% | 0.32 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E157 | G136-E157 PolarHBondContact O-N 2.98Š|
| 137 | V | 97.9 | Very high | 97 | Very high | 49 Ų | 49 | 80 Ų | 80 | 30% | 0.297 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.7 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | 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 3.39Å; A135-V137 PolarHBondContact O-N 3.18Å; V137-V154 HydrophobicContact CG1-CG1 3.68Å; V137-M155 CarbonylContact C-O 3.56Å; V137-M155 VanDerWaalsContact CA-O 3.3Å; V137-M155 WeakPolarHBondContact CA-O 3.36Å; V137-L156 HydrophobicContact CG2-CD1 3.68Å |
| 138 | V | 97.5 | Very high | 96.9 | Very high | 79 Ų | 79 | 84.8 Ų | 84.8 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.6 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | M155 | V138-M155 HydrophobicContact CB-CE 4.45Å; V138-M155 HydrophobicContact CG1-CE 4.23Å; V138-M155 PolarHBondContact N-O 3.43Å; V138-M155 PolarHBondContact O-N 3.36Å |
| 139 | S | 97.7 | Very high | 96.9 | Very high | 71 Ų | 71 | 82.4 Ų | 82.4 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 152.1 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | L153 | S139-L153 VanDerWaalsContact CA-O 3.28Å; S139-L153 WeakPolarHBondContact CA-O 3.38Å |
| 140 | T | 97.8 | Very high | 97.1 | Very high | 32 Ų | 32 | 79.3 Ų | 79.3 | 20% | 0.196 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 159.9 | 164.5 | 64.2 | 0 | 0 | 0 | 0 | 110 | L153 M155 | T140-L153 HydrophobicContact CG2-CB 3.96Å; T140-L153 HydrophobicContact CG2-CD1 4.39Å; T140-L153 HydrophobicContact CG2-CG 4.38Å; T140-L153 PolarHBondContact N-O 3.26Å; T140-L153 PolarHBondContact OG1-N 2.96Å; T140-L153 VanDerWaalsContact OG1-N 3.13Å; T140-M155 HydrophobicContact CG2-CE 4.4Å |
| 141 | P | 98 | Very high | 97.3 | Very high | 109 Ų | 109 | 75.4 Ų | 75.4 | 71% | 0.708 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 154.9 | 158 | -20.9 | 33 | 0 | 0 | 0 | 110.3 | I143 | P141-I143 WeakPolarHBondContact O-CG1 3.47Å; P141-I143 PolarHBondContact O-N 2.92Å |
| 142 | V | 98.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 69.3 Ų | 69.3 | 37% | 0.37 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 121.2 | 170.1 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | F117 F150 I152 | F117-V142 HydrophobicContact CE2-CG1 4.45Å; F117-V142 HydrophobicContact CZ-CG1 4.17Å; V142-F150 HydrophobicContact CG1-CB 3.79Å; V142-F150 HydrophobicContact CG1-CD1 3.76Å; V142-F150 HydrophobicContact CG1-CG 4.04Å; V142-I152 HydrophobicContact CG2-CD1 4.1Å |
| 143 | I | 98.2 | Very high | 97.4 | Very high | 71 Ų | 71 | 67.5 Ų | 67.5 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135.7 | -174.8 | -54.6 | 172.9 | 0 | 0 | 0 | 108.8 | P141 F150 Q151 | P141-I143 WeakPolarHBondContact O-CG1 3.47Å; P141-I143 PolarHBondContact O-N 2.92Å; I143-F150 CarbonylContact O-C 3.52Å; I143-F150 WeakPolarHBondContact O-CA 3.22Å; I143-F150 WeakPolarHBondContact O-CD1 2.98Å; I143-Q151 HydrophobicContact CB-CG 3.74Å; I143-Q151 HydrophobicContact CD1-CG 4.3Å; I143-Q151 HydrophobicContact CG1-CG 4.45Å; I143-Q151 HydrophobicContact CG2-CG 4.23Å; I143-Q151 PolarHBondContact N-O 2.82Å; I143-Q151 PolarHBondContact O-N 2.77Å |
| 144 | R | 98 | Very high | 97.5 | Very high | 174 Ų | 174 | 65.1 Ų | 65.1 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.2 | 174.7 | -176.5 | -173.8 | -63.8 | -92.6 | -1.9 | 109.7 | F150 | R144-F150 HydrophobicContact CB-CD1 4.14Å; R144-F150 HydrophobicContact CB-CE1 3.93Å; R144-F150 HydrophobicContact CG-CE1 4.03Å |
| 145 | N | 97.3 | Very high | 97.5 | Very high | 56 Ų | 56 | 62 Ų | 62 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | trans | -81.3 | -20.7 | -175.6 | -65.8 | -19.4 | 0 | 0 | 0 | 113.8 | D147 T149 Q151 | N145-D147 VanDerWaalsContact CB-OD1 3.3Å; N145-D147 WeakPolarHBondContact CB-OD1 3.49Å; N145-T149 PolarHBondContact N-O 3.03Å; N145-T149 VanDerWaalsContact N-O 3.1Å; N145-T149 PolarHBondContact ND2-OG1 3.1Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.48Å; N145-Q151 PolarHBondContact OD1-NE2 3.45Å | ||
| 146 | G | 96.2 | Very high | 97.6 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 94.7 | -3.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 147 | D | 96.1 | Very high | 97.7 | Very high | 91 Ų | 91 | 62.3 Ų | 62.3 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -115.4 | 22 | -178.9 | 66.3 | -7.8 | 0 | 0 | 0 | 112.9 | N145 T149 | N145-D147 VanDerWaalsContact CB-OD1 3.3Å; N145-D147 WeakPolarHBondContact CB-OD1 3.49Å; D147-T149 VanDerWaalsContact C-N 3.3Å; D147-T149 WeakPolarHBondContact OD1-CB 3.2Å; D147-T149 PolarHBondContact OD1-N 3.42Å; D147-T149 PolarHBondContact OD1-OG1 3.39Å; D147-T149 PolarHBondContact OD2-OG1 3.28Å |
| 148 | W | 95.1 | Very high | 97.5 | Very high | 137 Ų | 137 | 60.5 Ų | 60.5 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 68.2 | 21.5 | -172.8 | -59.2 | 77 | 0 | 0 | 0 | 115.3 | I85 Y118 | I85-W148 HydrophobicContact CD1-CH2 4.1Å; I85-W148 HydrophobicContact CG1-CH2 4.32Å; I85-W148 HydrophobicContact CG1-CZ3 4.4Å; I85-W148 HydrophobicContact CG2-CH2 4.09Å; I85-W148 HydrophobicContact CG2-CZ3 3.59Å; Y118-W148 WeakPolarHBondContact CD2-O 3.28Å; Y118-W148 HydrophobicContact CE2-CE3 4.08Å |
| 149 | T | 98 | Very high | 97.3 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | trans | -118 | 166.1 | 166.9 | 70.9 | 0 | 0 | 0 | 0 | 112 | F117 N145 D147 | F117-T149 CarbonylContact O-C 3.5Å; F117-T149 WeakPolarHBondContact O-CA 3.35Å; N145-T149 PolarHBondContact N-O 3.03Å; N145-T149 VanDerWaalsContact N-O 3.1Å; N145-T149 PolarHBondContact ND2-OG1 3.1Å; D147-T149 VanDerWaalsContact C-N 3.3Å; D147-T149 WeakPolarHBondContact OD1-CB 3.2Å; D147-T149 PolarHBondContact OD1-N 3.42Å; D147-T149 PolarHBondContact OD1-OG1 3.39Å; D147-T149 PolarHBondContact OD2-OG1 3.28Å | ||
| 150 | F | 98.6 | Very high | 96.9 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 162 | 178.3 | -62.7 | -86.1 | 0 | 0 | 0 | 111 | D116 F117 Y118 V142 I143 R144 | D116-F150 PolarHBondContact N-O 3.01Å; F117-F150 VanDerWaalsContact CD1-O 3.26Å; F117-F150 WeakPolarHBondContact CD1-O 3.26Å; F117-F150 HydrophobicContact CD2-CB 4.09Å; F117-F150 HydrophobicContact CE1-CB 4.27Å; F117-F150 WeakPolarHBondContact CE1-O 3.33Å; F117-F150 HydrophobicContact CE2-CB 3.69Å; F117-F150 HydrophobicContact CZ-CB 3.78Å; F117-F150 PolarHBondContact N-O 3.31Å; F117-F150 PolarHBondContact O-N 3.08Å; Y118-F150 HydrophobicContact CD2-CD2 4.05Å; Y118-F150 AromaticContact CD2-CE2 3.55Å; Y118-F150 HydrophobicContact CD2-CE2 3.55Å; Y118-F150 AromaticContact CE2-CE2 3.91Å; Y118-F150 HydrophobicContact CE2-CE2 3.91Å; V142-F150 HydrophobicContact CG1-CB 3.79Å; V142-F150 HydrophobicContact CG1-CD1 3.76Å; V142-F150 HydrophobicContact CG1-CG 4.04Å; I143-F150 CarbonylContact O-C 3.52Å; I143-F150 WeakPolarHBondContact O-CA 3.22Å; I143-F150 WeakPolarHBondContact O-CD1 2.98Å; R144-F150 HydrophobicContact CB-CD1 4.14Å; R144-F150 HydrophobicContact CB-CE1 3.93Å; R144-F150 HydrophobicContact CG-CE1 4.03Å |
| 151 | Q | 98.6 | Very high | 96.6 | Very high | 61 Ų | 61 | 59.9 Ų | 59.9 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.3 | 171.4 | 63.3 | -177.8 | -45.5 | 0 | 0 | 111.3 | V114 T115 I143 N145 | V114-Q151 CarbonylContact O-C 3.49Å; V114-Q151 VanDerWaalsContact O-CA 3.25Å; V114-Q151 WeakPolarHBondContact O-CA 3.48Å; T115-Q151 HydrophobicContact CG2-CB 4.16Å; I143-Q151 HydrophobicContact CB-CG 3.74Å; I143-Q151 HydrophobicContact CD1-CG 4.3Å; I143-Q151 HydrophobicContact CG1-CG 4.45Å; I143-Q151 HydrophobicContact CG2-CG 4.23Å; I143-Q151 PolarHBondContact N-O 2.82Å; I143-Q151 PolarHBondContact O-N 2.77Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.48Å; N145-Q151 PolarHBondContact OD1-NE2 3.45Å |
| 152 | I | 98.7 | Very high | 96.3 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 143.2 | 173.5 | -173.3 | 171.1 | 0 | 0 | 0 | 109.5 | V114 F117 I122 V124 V142 V154 | V114-I152 HydrophobicContact CB-CG2 3.88Å; V114-I152 HydrophobicContact CG2-CG2 4.44Å; V114-I152 PolarHBondContact N-O 3.48Å; V114-I152 PolarHBondContact O-N 3.37Å; F117-I152 HydrophobicContact CE1-CG2 4.01Å; F117-I152 HydrophobicContact CZ-CG2 4.05Å; I122-I152 HydrophobicContact CG2-CG2 4.17Å; V124-I152 HydrophobicContact CG2-CG2 4.31Å; V142-I152 HydrophobicContact CG2-CD1 4.1Å; I152-V154 HydrophobicContact CD1-CG2 4.23Å; I152-V154 HydrophobicContact CG1-CG2 4.19Å |
| 153 | L | 98.4 | Very high | 95.9 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 29% | 0.288 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.6 | 170.2 | -53.3 | 179.4 | 0 | 0 | 0 | 108.7 | I111 S113 S139 T140 | I111-L153 HydrophobicContact CG2-CB 4.37Å; I111-L153 HydrophobicContact CG2-CD2 4.45Å; S113-L153 WeakPolarHBondContact OG-CD2 3.31Å; S139-L153 VanDerWaalsContact CA-O 3.28Å; S139-L153 WeakPolarHBondContact CA-O 3.38Å; T140-L153 HydrophobicContact CG2-CB 3.96Å; T140-L153 HydrophobicContact CG2-CD1 4.39Å; T140-L153 HydrophobicContact CG2-CG 4.38Å; T140-L153 PolarHBondContact N-O 3.26Å; T140-L153 PolarHBondContact OG1-N 2.96Å; T140-L153 VanDerWaalsContact OG1-N 3.13Å |
| 154 | V | 98.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 114 | 174.3 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | C112 V124 W126 V137 I152 | C112-V154 PolarHBondContact N-O 3.23Å; C112-V154 PolarHBondContact O-N 2.63Å; V124-V154 HydrophobicContact CB-CG2 3.78Å; V124-V154 HydrophobicContact CG1-CB 3.91Å; V124-V154 HydrophobicContact CG1-CG1 4.34Å; V124-V154 HydrophobicContact CG1-CG2 3.67Å; V124-V154 HydrophobicContact CG2-CG2 4.31Å; W126-V154 PolarHBondContact NE1-O 2.03Å; W126-V154 VanDerWaalsContact NE1-O 3.12Å; V137-V154 HydrophobicContact CG1-CG1 3.68Å; I152-V154 HydrophobicContact CD1-CG2 4.23Å; I152-V154 HydrophobicContact CG1-CG2 4.19Å |
| 155 | M | 98.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 58 Ų | 58 | 21% | 0.207 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.3 | -171.7 | -61.4 | 160.3 | -77.3 | 0 | 0 | 109.5 | L110 I111 V137 V138 T140 | L110-M155 CarbonylContact O-C 3.59Å; L110-M155 VanDerWaalsContact O-CA 3.27Å; L110-M155 WeakPolarHBondContact O-CA 3.39Å; I111-M155 HydrophobicContact CG1-CG 4.16Å; I111-M155 HydrophobicContact CG2-CG 4.14Å; V137-M155 CarbonylContact C-O 3.56Å; V137-M155 VanDerWaalsContact CA-O 3.3Å; V137-M155 WeakPolarHBondContact CA-O 3.36Å; V138-M155 HydrophobicContact CB-CE 4.45Å; V138-M155 HydrophobicContact CG1-CE 4.23Å; V138-M155 PolarHBondContact N-O 3.43Å; V138-M155 PolarHBondContact O-N 3.36Å; T140-M155 HydrophobicContact CG2-CE 4.4Å |
| 156 | L | 98.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.1 | 174.2 | 173.8 | 67 | 0 | 0 | 0 | 109.4 | L109 L110 W126 E133 V137 M158 Y166 | L109-L156 WeakPolarHBondContact CA-O 3.47Å; L110-L156 PolarHBondContact N-O 3.15Å; L110-L156 PolarHBondContact O-N 3.25Å; W126-L156 HydrophobicContact CB-CD2 4.23Å; W126-L156 HydrophobicContact CD2-CB 4.01Å; W126-L156 HydrophobicContact CD2-CD2 4.12Å; W126-L156 HydrophobicContact CE3-CD2 4.23Å; W126-L156 HydrophobicContact CG-CB 3.95Å; W126-L156 HydrophobicContact CG-CD2 4.14Å; W126-L156 HydrophobicContact CG-CG 4.49Å; W126-L156 HydrophobicContact CZ2-CB 4.48Å; E133-L156 HydrophobicContact CB-CD1 4.24Å; V137-L156 HydrophobicContact CG2-CD1 3.68Å; L156-M158 HydrophobicContact CG-CB 4.48Å; L156-M158 PolarHBondContact O-N 3.37Å; L156-Y166 HydrophobicContact CD2-CD1 3.62Å; L156-Y166 HydrophobicContact CD2-CE1 3.92Å |
| 157 | E | 96.9 | Very high | 95.8 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 123.9 | 165 | -72 | 178.2 | -173.3 | 0 | 0 | 109.9 | L109 G136 | L109-E157 HydrophobicContact CD2-CB 4.25Å; L109-E157 HydrophobicContact CD2-CG 3.44Å; L109-E157 VanDerWaalsContact CD2-CG 3.44Å; G136-E157 PolarHBondContact O-N 2.98Å |
| 158 | M | 92.8 | Very high | 95.9 | Very high | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 160.3 | -177.7 | 63.5 | 81.7 | 155.3 | 0 | 0 | 112.4 | H107 N108 L110 L156 P160 Y166 W183 | H107-M158 WeakPolarHBondContact CA-O 3.42Å; N108-M158 HydrophobicContact CB-CE 4.23Å; N108-M158 HydrophobicContact CB-SD 4.1Å; N108-M158 PolarHBondContact N-O 3.49Å; N108-M158 PolarHBondContact O-N 3.26Å; N108-M158 VanDerWaalsContact O-O 3.09Å; L110-M158 HydrophobicContact CB-CE 4.18Å; L110-M158 HydrophobicContact CB-CG 4.22Å; L110-M158 HydrophobicContact CD1-CE 4.26Å; L156-M158 HydrophobicContact CG-CB 4.48Å; L156-M158 PolarHBondContact O-N 3.37Å; M158-P160 HydrophobicContact CE-CB 4.12Å; M158-P160 HydrophobicContact CE-CG 4.18Å; M158-P160 HydrophobicContact SD-CB 3.75Å; M158-P160 WeakPolarHBondContact SD-CD 3.19Å; M158-P160 HydrophobicContact SD-CG 3.74Å; M158-Y166 HydrophobicContact CB-CE1 3.96Å; M158-Y166 HydrophobicContact CG-CE1 4.43Å; M158-W183 HydrophobicContact CE-CE3 4.46Å; M158-W183 HydrophobicContact CE-CH2 3.55Å; M158-W183 HydrophobicContact CE-CZ2 4.32Å; M158-W183 HydrophobicContact CE-CZ3 3.64Å |
| 159 | T | 93.5 | Very high | 96 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | trans | -129.8 | 97.9 | 170.1 | -61.9 | 0 | 0 | 0 | 0 | 105.7 | N105 Q161 | N105-T159 VanDerWaalsContact C-CG2 3.5Å; T159-Q161 PolarHBondContact O-N 2.91Å | ||
| 160 | P | 89.4 | Confident | 96.1 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | trans | -70.4 | 129.1 | -163.4 | 27.1 | -26.6 | 0 | 0 | 0 | 109.5 | E102 N105 H106 M158 W183 | E102-P160 HydrophobicContact CG-CG 4.05Å; N105-P160 PolarHBondContact N-O 2.86Å; H106-P160 WeakPolarHBondContact O-CD 3.33Å; M158-P160 HydrophobicContact CE-CB 4.12Å; M158-P160 HydrophobicContact CE-CG 4.18Å; M158-P160 HydrophobicContact SD-CB 3.75Å; M158-P160 WeakPolarHBondContact SD-CD 3.19Å; M158-P160 HydrophobicContact SD-CG 3.74Å; P160-W183 HydrophobicContact CB-CH2 4.36Å; P160-W183 HydrophobicContact CB-CZ3 4.49Å | ||
| 161 | Q | 91.5 | Very high | 96.1 | Very high | 109 Ų | 109 | 45 Ų | 45 | 51% | 0.509 | 23% | 0.231 | S | C | . | . | trans | -106.5 | 152.3 | 171.6 | -59.2 | -175.2 | 11.6 | 0 | 0 | 109.5 | T159 G163 D164 | T159-Q161 PolarHBondContact O-N 2.91Å; Q161-G163 PolarHBondContact O-N 3.1Å; Q161-D164 WeakPolarHBondContact CB-OD2 3.5Å; Q161-D164 PolarHBondContact N-OD2 3.43Å; Q161-D164 WeakPolarHBondContact O-CB 3.4Å; Q161-D164 PolarHBondContact O-N 3.24Å; Q161-D164 VanDerWaalsContact O-N 3.13Å | ||
| 162 | R | 91.1 | Very high | 96.1 | Very high | 226 Ų | 226 | 42.7 Ų | 42.7 | 85% | 0.853 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | 124.2 | 177.2 | 179 | 179.7 | -78.7 | -158.8 | -4.3 | 109.5 | ||
| 163 | G | 91.8 | Very high | 96 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 68% | 0.68 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | -1.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q161 | Q161-G163 PolarHBondContact O-N 3.1Š|
| 164 | D | 93.9 | Very high | 96 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | trans | -64.4 | 139.3 | 164.8 | -74.4 | -36.2 | 0 | 0 | 0 | 110.1 | R128 N129 Q161 Y166 | R128-D164 IonicContact CZ-OD1 3.34Å; R128-D164 IonicContact CZ-OD2 3.43Å; R128-D164 IonicContact NE-OD1 2.94Å; R128-D164 PolarHBondContact NE-OD1 3.49Å; R128-D164 IonicContact NE-OD2 3.51Å; R128-D164 IonicContact NH2-OD1 2.88Å; R128-D164 PolarHBondContact NH2-OD1 2.94Å; R128-D164 IonicContact NH2-OD2 2.78Å; R128-D164 PolarHBondContact NH2-OD2 3.49Å; N129-D164 PolarHBondContact ND2-OD1 3.41Å; N129-D164 WeakPolarHBondContact OD1-CA 3.45Å; Q161-D164 WeakPolarHBondContact CB-OD2 3.5Å; Q161-D164 PolarHBondContact N-OD2 3.43Å; Q161-D164 WeakPolarHBondContact O-CB 3.4Å; Q161-D164 PolarHBondContact O-N 3.24Å; Q161-D164 VanDerWaalsContact O-N 3.13Å; D164-Y166 HydrophobicContact CB-CD2 4.15Å; D164-Y166 HydrophobicContact CB-CE2 3.43Å; D164-Y166 VanDerWaalsContact CB-CE2 3.43Å; D164-Y166 PolarHBondContact OD2-OH 3.28Å; D164-Y166 VanDerWaalsContact OD2-OH 3.05Å | ||
| 165 | V | 96.3 | Very high | 96 | Very high | 59 Ų | 59 | 44.5 Ų | 44.5 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | trans | -119.5 | 125.5 | 167.7 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | R128 N129 E182 | R128-V165 WeakPolarHBondContact CA-O 3.47Å; N129-V165 PolarHBondContact N-O 2.91Å; N129-V165 PolarHBondContact OD1-N 3.15Å; V165-E182 HydrophobicContact CG1-CB 4.35Å; V165-E182 HydrophobicContact CG1-CG 4.23Å | ||
| 166 | Y | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131 | 178.1 | -64.2 | -93.1 | 0 | 0 | 0 | 109.9 | L110 F127 R128 L156 M158 D164 E182 W183 | L110-Y166 HydrophobicContact CD2-CD1 4.38Å; L110-Y166 HydrophobicContact CD2-CD2 4.42Å; L110-Y166 HydrophobicContact CD2-CG 3.87Å; F127-Y166 CarbonylContact O-C 3.58Å; F127-Y166 WeakPolarHBondContact O-CA 3.5Å; R128-Y166 HydrophobicContact CB-CD1 4.2Å; R128-Y166 HydrophobicContact CB-CE1 4.2Å; R128-Y166 HydrophobicContact CG-CD1 4.24Å; R128-Y166 HydrophobicContact CG-CE1 3.89Å; L156-Y166 HydrophobicContact CD2-CD1 3.62Å; L156-Y166 HydrophobicContact CD2-CE1 3.92Å; M158-Y166 HydrophobicContact CB-CE1 3.96Å; M158-Y166 HydrophobicContact CG-CE1 4.43Å; D164-Y166 HydrophobicContact CB-CD2 4.15Å; D164-Y166 HydrophobicContact CB-CE2 3.43Å; D164-Y166 VanDerWaalsContact CB-CE2 3.43Å; D164-Y166 PolarHBondContact OD2-OH 3.28Å; D164-Y166 VanDerWaalsContact OD2-OH 3.05Å; Y166-E182 CarbonylContact O-C 3.56Å; Y166-E182 WeakPolarHBondContact O-CA 3.15Å; Y166-W183 AromaticContact CD2-CE3 3.62Å; Y166-W183 HydrophobicContact CD2-CE3 3.62Å; Y166-W183 AromaticContact CD2-CZ3 3.72Å; Y166-W183 HydrophobicContact CD2-CZ3 3.72Å; Y166-W183 HydrophobicContact CE2-CE3 4.35Å; Y166-W183 AromaticContact CE2-CZ3 3.98Å; Y166-W183 HydrophobicContact CE2-CZ3 3.98Å; Y166-W183 HydrophobicContact CG-CE3 4.31Å; Y166-W183 PolarHBondContact N-O 3.45Å; Y166-W183 PolarHBondContact O-N 2.98Å |
| 167 | T | 98.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125 | -177.9 | -43.7 | 0 | 0 | 0 | 0 | 110.5 | W126 F127 T180 V181 E182 | W126-T167 CarbonylContact C-O 3.56Å; W126-T167 WeakPolarHBondContact CA-O 3.47Å; F127-T167 PolarHBondContact N-O 2.93Å; F127-T167 PolarHBondContact O-N 2.88Å; T167-T180 HydrophobicContact CG2-CG2 4.26Å; T167-V181 CarbonylContact C-O 3.57Å; T167-V181 VanDerWaalsContact CA-O 3.31Å; T167-V181 WeakPolarHBondContact CA-O 3.13Å; T167-E182 HydrophobicContact CG2-CG 4.13Å |
| 168 | C | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.6 | 164.8 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | I96 C112 V124 W126 T180 V181 | I96-C168 HydrophobicContact CD1-CB 3.63Å; I96-C168 HydrophobicContact CG1-CB 3.99Å; C112-C168 HydrophobicContact CB-CB 3.63Å; C112-C168 WeakPolarHBondContact CB-SG 3.31Å; C112-C168 WeakPolarHBondContact SG-CB 3.41Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 2.96Å; V124-C168 VanDerWaalsContact CG1-SG 3.58Å; W126-C168 HydrophobicContact CE3-CB 4.32Å; W126-C168 HydrophobicContact CH2-CB 4.09Å; W126-C168 HydrophobicContact CZ2-CB 4.5Å; W126-C168 HydrophobicContact CZ3-CB 3.99Å; C168-T180 WeakPolarHBondContact O-CA 3.39Å; C168-V181 PolarHBondContact N-O 3.41Å; C168-V181 PolarHBondContact O-N 3.16Å |
| 169 | H | 98.6 | Very high | 96.2 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.3 | -178.5 | -179.5 | -143.9 | 0 | 0 | 0 | 110.3 | V124 R125 F127 E171 P178 I179 T180 | V124-H169 CarbonylContact C-O 3.6Å; V124-H169 WeakPolarHBondContact CA-O 3.4Å; R125-H169 HydrophobicContact CB-CB 4.47Å; R125-H169 PolarHBondContact N-O 2.81Å; R125-H169 PolarHBondContact NH2-CE1 2.62Å; R125-H169 PolarHBondContact NH2-ND1 3.22Å; R125-H169 PolarHBondContact O-N 2.93Å; F127-H169 HydrophobicContact CD2-CB 3.91Å; F127-H169 HydrophobicContact CE2-CB 3.68Å; F127-H169 AromaticContact CE2-ND1 3.7Å; H169-E171 IonicContact CE1-OE1 3.67Å; H169-P178 VanDerWaalsContact CD2-CB 3.47Å; H169-P178 WeakPolarHBondContact CD2-CB 3.45Å; H169-P178 WeakPolarHBondContact NE2-CB 3.43Å; H169-P178 WeakPolarHBondContact NE2-CG 3.43Å; H169-I179 WeakPolarHBondContact CA-O 3.12Å; H169-T180 HydrophobicContact CB-CG2 4.49Å |
| 170 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.6 | -173 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | P92 V94 V114 I122 V124 P178 I179 | P92-V170 HydrophobicContact CG-CG1 4.02Å; V94-V170 HydrophobicContact CG1-CG2 4.09Å; V94-V170 HydrophobicContact CG2-CB 4.19Å; V94-V170 HydrophobicContact CG2-CG1 4.43Å; V94-V170 HydrophobicContact CG2-CG2 3.79Å; V114-V170 HydrophobicContact CG1-CG1 4.12Å; V114-V170 HydrophobicContact CG2-CG2 3.89Å; I122-V170 HydrophobicContact CD1-CG1 3.84Å; I122-V170 HydrophobicContact CG1-CG1 4.11Å; V124-V170 HydrophobicContact CG1-CG2 4.15Å; V124-V170 HydrophobicContact CG2-CG1 4.39Å; V124-V170 HydrophobicContact CG2-CG2 4.23Å; V170-P178 WeakPolarHBondContact O-CA 3.29Å; V170-P178 WeakPolarHBondContact O-CB 3.23Å; V170-I179 HydrophobicContact CB-CB 4.41Å; V170-I179 PolarHBondContact N-O 2.94Å; V170-I179 PolarHBondContact O-N 3.08Å |
| 171 | E | 98.8 | Very high | 96.8 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.9 | 171.3 | -66.1 | 169.3 | -126.4 | 0 | 0 | 109.3 | K123 R125 H169 P178 | K123-E171 HydrophobicContact CB-CB 4.2Å; K123-E171 PolarHBondContact N-O 3.41Å; K123-E171 IonicContact NZ-OE1 2.82Å; K123-E171 PolarHBondContact NZ-OE1 3.02Å; K123-E171 VanDerWaalsContact NZ-OE1 3.13Å; K123-E171 IonicContact NZ-OE2 3.86Å; K123-E171 PolarHBondContact O-N 3.3Å; R125-E171 IonicContact CZ-OE1 3.13Å; R125-E171 IonicContact NE-OE1 3.39Å; R125-E171 PolarHBondContact NE-OE1 2.98Å; R125-E171 IonicContact NH2-OE1 3.88Å; R125-E171 PolarHBondContact NH2-OE1 2.84Å; H169-E171 IonicContact CE1-OE1 3.67Å; E171-P178 HydrophobicContact CG-CB 4.17Å; E171-P178 HydrophobicContact CG-CG 4.03Å |
| 172 | H | 98.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | trans | -148.6 | 142.2 | 179.9 | -178.2 | -106.2 | 0 | 0 | 0 | 110.6 | V90 P92 F117 Y118 P119 H121 I122 S174 L175 | V90-H172 PolarHBondContact O-CE1 3.47Å; V90-H172 VanDerWaalsContact O-CE1 3.27Å; P92-H172 HydrophobicContact CG-CB 4.34Å; F117-H172 AromaticContact CD2-CD2 3.96Å; F117-H172 AromaticContact CD2-NE2 3.75Å; Y118-H172 VanDerWaalsContact C-CE1 3.42Å; Y118-H172 PolarHBondContact O-CE1 3.27Å; P119-H172 PolarHBondContact O-NE2 2.94Å; H121-H172 PolarHBondContact O-CD2 3.2Å; H121-H172 VanDerWaalsContact O-CD2 3.27Å; I122-H172 HydrophobicContact CD1-CB 4.36Å; I122-H172 HydrophobicContact CG1-CB 4.2Å; H172-S174 PolarHBondContact CE1-OG 3.41Å; H172-S174 VanDerWaalsContact ND1-CB 3.32Å; H172-S174 WeakPolarHBondContact ND1-CB 3.37Å; H172-S174 PolarHBondContact ND1-N 3.12Å; H172-S174 PolarHBondContact ND1-OG 3.26Å; H172-S174 PolarHBondContact O-N 2.9Å; H172-L175 HydrophobicContact CB-CD1 3.95Å; H172-L175 HydrophobicContact CB-CG 4.26Å; H172-L175 WeakPolarHBondContact O-CB 3.29Å; H172-L175 PolarHBondContact O-N 2.9Å | ||
| 173 | P | 97.4 | Very high | 97.2 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -7 | -176.6 | -25.5 | 35.7 | 0 | 0 | 0 | 116.4 | H121 | H121-P173 WeakPolarHBondContact O-CD 3.5Š|
| 174 | S | 97.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -19.4 | 171.3 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | V90 E91 H172 | V90-S174 PolarHBondContact O-OG 2.88Å; E91-S174 VanDerWaalsContact CA-OG 3.25Å; E91-S174 WeakPolarHBondContact CA-OG 3.44Å; E91-S174 WeakPolarHBondContact CG-OG 3.44Å; H172-S174 PolarHBondContact CE1-OG 3.41Å; H172-S174 VanDerWaalsContact ND1-CB 3.32Å; H172-S174 WeakPolarHBondContact ND1-CB 3.37Å; H172-S174 PolarHBondContact ND1-N 3.12Å; H172-S174 PolarHBondContact ND1-OG 3.26Å; H172-S174 PolarHBondContact O-N 2.9Å |
| 175 | L | 98 | Very high | 97.6 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | trans | -93.5 | 138.6 | -170.9 | -62.4 | 171.3 | 0 | 0 | 0 | 110.3 | E91 P92 H172 S177 I179 | E91-L175 HydrophobicContact CB-CD2 4.01Å; E91-L175 HydrophobicContact CG-CD2 3.75Å; P92-L175 HydrophobicContact CG-CD1 4.17Å; H172-L175 HydrophobicContact CB-CD1 3.95Å; H172-L175 HydrophobicContact CB-CG 4.26Å; H172-L175 WeakPolarHBondContact O-CB 3.29Å; H172-L175 PolarHBondContact O-N 2.9Å; L175-S177 WeakPolarHBondContact CB-O 3.41Å; L175-I179 HydrophobicContact CD1-CD1 3.99Å; L175-I179 HydrophobicContact CD1-CG1 3.87Å; L175-I179 HydrophobicContact CD2-CD1 3.85Å; L175-I179 HydrophobicContact CD2-CG1 4.05Å | ||
| 176 | Q | 97.1 | Very high | 97.7 | Very high | 206 Ų | 206 | 54.3 Ų | 54.3 | 96% | 0.963 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -75.4 | -32.8 | 170.8 | -64 | -177.1 | 14.3 | 0 | 0 | 111.7 | ||
| 177 | S | 97.7 | Very high | 97.7 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 58% | 0.58 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -137.8 | 149.2 | 177 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | L175 | L175-S177 WeakPolarHBondContact CB-O 3.41Š|
| 178 | P | 97.9 | Very high | 97.7 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 40% | 0.403 | 32% | 0.32 | S | S | . | . | trans | -60 | 151.8 | 178.8 | -21.7 | 33.7 | 0 | 0 | 0 | 112.8 | H169 V170 E171 | H169-P178 VanDerWaalsContact CD2-CB 3.47Å; H169-P178 WeakPolarHBondContact CD2-CB 3.45Å; H169-P178 WeakPolarHBondContact NE2-CB 3.43Å; H169-P178 WeakPolarHBondContact NE2-CG 3.43Å; V170-P178 WeakPolarHBondContact O-CA 3.29Å; V170-P178 WeakPolarHBondContact O-CB 3.23Å; E171-P178 HydrophobicContact CG-CB 4.17Å; E171-P178 HydrophobicContact CG-CG 4.03Å | ||
| 179 | I | 98.3 | Very high | 97.6 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 132.7 | 169.4 | -65.2 | 171.9 | 0 | 0 | 0 | 108.5 | P92 V94 H169 V170 L175 V181 | P92-I179 HydrophobicContact CG-CD1 4.17Å; V94-I179 HydrophobicContact CB-CG2 4.11Å; V94-I179 HydrophobicContact CG2-CB 4.32Å; V94-I179 HydrophobicContact CG2-CD1 4.11Å; V94-I179 HydrophobicContact CG2-CG2 3.88Å; H169-I179 WeakPolarHBondContact CA-O 3.12Å; V170-I179 HydrophobicContact CB-CB 4.41Å; V170-I179 PolarHBondContact N-O 2.94Å; V170-I179 PolarHBondContact O-N 3.08Å; L175-I179 HydrophobicContact CD1-CD1 3.99Å; L175-I179 HydrophobicContact CD1-CG1 3.87Å; L175-I179 HydrophobicContact CD2-CD1 3.85Å; L175-I179 HydrophobicContact CD2-CG1 4.05Å; I179-V181 HydrophobicContact CG2-CG2 3.9Å |
| 180 | T | 97.8 | Very high | 97.6 | Very high | 87 Ų | 87 | 66.9 Ų | 66.9 | 53% | 0.534 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.6 | 170 | 50.8 | 0 | 0 | 0 | 0 | 108.8 | T167 C168 H169 | T167-T180 HydrophobicContact CG2-CG2 4.26Å; C168-T180 WeakPolarHBondContact O-CA 3.39Å; H169-T180 HydrophobicContact CB-CG2 4.49Å |
| 181 | V | 98 | Very high | 97.5 | Very high | 39 Ų | 39 | 72.1 Ų | 72.1 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.1 | 172.2 | -177 | 0 | 0 | 0 | 0 | 107.5 | V94 I96 T167 C168 I179 | V94-V181 HydrophobicContact CB-CG2 3.81Å; V94-V181 HydrophobicContact CG1-CB 4.21Å; V94-V181 HydrophobicContact CG1-CG2 3.6Å; I96-V181 HydrophobicContact CD1-CB 3.92Å; I96-V181 HydrophobicContact CD1-CG1 3.84Å; I96-V181 WeakPolarHBondContact CD1-O 3.43Å; I96-V181 HydrophobicContact CG1-CB 4.21Å; I96-V181 HydrophobicContact CG1-CG1 3.93Å; T167-V181 CarbonylContact C-O 3.57Å; T167-V181 VanDerWaalsContact CA-O 3.31Å; T167-V181 WeakPolarHBondContact CA-O 3.13Å; C168-V181 PolarHBondContact N-O 3.41Å; C168-V181 PolarHBondContact O-N 3.16Å; I179-V181 HydrophobicContact CG2-CG2 3.9Å |
| 182 | E | 97.2 | Very high | 97.4 | Very high | 138 Ų | 138 | 73 Ų | 73 | 65% | 0.645 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 149.9 | 177.5 | -67.6 | 176.7 | -178.1 | 0 | 0 | 110.5 | V165 Y166 T167 | V165-E182 HydrophobicContact CG1-CB 4.35Å; V165-E182 HydrophobicContact CG1-CG 4.23Å; Y166-E182 CarbonylContact O-C 3.56Å; Y166-E182 WeakPolarHBondContact O-CA 3.15Å; T167-E182 HydrophobicContact CG2-CG 4.13Å |
| 183 | W | 92.8 | Very high | 97.3 | Very high | 90 Ų | 90 | 78.5 Ų | 78.5 | 34% | 0.341 | 42% | 0.422 | S | S | . | . | trans | -132.7 | 0 | 170.7 | 179.1 | 89.9 | 0 | 0 | 0 | 109.3 | I96 E102 L110 M158 P160 Y166 | I96-W183 HydrophobicContact CB-CB 4.2Å; I96-W183 HydrophobicContact CD1-CB 4.19Å; I96-W183 HydrophobicContact CG2-CB 3.6Å; I96-W183 HydrophobicContact CG2-CG 3.85Å; E102-W183 HydrophobicContact CG-CH2 4.03Å; E102-W183 HydrophobicContact CG-CZ2 4.18Å; E102-W183 WeakPolarHBondContact OE1-CH2 3.36Å; E102-W183 VanDerWaalsContact OE2-CZ2 3.3Å; E102-W183 WeakPolarHBondContact OE2-CZ2 2.81Å; L110-W183 HydrophobicContact CD1-CD2 3.57Å; L110-W183 HydrophobicContact CD1-CE3 3.99Å; L110-W183 HydrophobicContact CD1-CG 3.8Å; L110-W183 HydrophobicContact CD1-CZ2 4.33Å; L110-W183 HydrophobicContact CD2-CB 4.16Å; L110-W183 HydrophobicContact CD2-CD2 4.01Å; L110-W183 HydrophobicContact CD2-CE3 3.8Å; L110-W183 HydrophobicContact CD2-CG 4.18Å; L110-W183 HydrophobicContact CG-CD2 4.47Å; M158-W183 HydrophobicContact CE-CE3 4.46Å; M158-W183 HydrophobicContact CE-CH2 3.55Å; M158-W183 HydrophobicContact CE-CZ2 4.32Å; M158-W183 HydrophobicContact CE-CZ3 3.64Å; P160-W183 HydrophobicContact CB-CH2 4.36Å; P160-W183 HydrophobicContact CB-CZ3 4.49Å; Y166-W183 AromaticContact CD2-CE3 3.62Å; Y166-W183 HydrophobicContact CD2-CE3 3.62Å; Y166-W183 AromaticContact CD2-CZ3 3.72Å; Y166-W183 HydrophobicContact CD2-CZ3 3.72Å; Y166-W183 HydrophobicContact CE2-CE3 4.35Å; Y166-W183 AromaticContact CE2-CZ3 3.98Å; Y166-W183 HydrophobicContact CE2-CZ3 3.98Å; Y166-W183 HydrophobicContact CG-CE3 4.31Å; Y166-W183 PolarHBondContact N-O 3.45Å; Y166-W183 PolarHBondContact O-N 2.98Å |
Retrieved 183 of 183 residues in 53.1 ms
(Link to these results)