| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 91.1 | Very high | 91.6 | Very high | 88 Ų | 88 | 58.5 Ų | 58.5 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | 0 | 126.9 | 0 | -175.3 | -175.8 | -162.8 | 0 | 0 | 109.3 | V3 Y12 A13 S14 E42 | M1-V3 HydrophobicContact CE-CG2 3.67Å; M1-V3 HydrophobicContact CG-CG2 4.17Å; M1-V3 HydrophobicContact SD-CG2 4.22Å; M1-Y12 HydrophobicContact SD-CE1 4.4Å; M1-A13 CarbonylContact O-C 3.46Å; M1-A13 WeakPolarHBondContact O-CA 3.42Å; M1-S14 PolarHBondContact N-O 3.49Å; M1-S14 PolarHBondContact O-N 3.25Å; M1-E42 VanDerWaalsContact C-OE2 3.3Å; M1-E42 VanDerWaalsContact CA-OE2 3.24Å; M1-E42 WeakPolarHBondContact CA-OE2 3.39Å | |||
| 2 | F | 93 | Very high | 92.1 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.2 | 170 | -179 | -89.5 | 0 | 0 | 0 | 111.2 | N4 F11 Y12 A13 E42 I43 P44 | F2-N4 WeakPolarHBondContact CE1-OD1 3.49Å; F2-F11 HydrophobicContact CD2-CD2 4.17Å; F2-F11 HydrophobicContact CE1-CB 4.37Å; F2-F11 HydrophobicContact CE2-CB 3.64Å; F2-F11 HydrophobicContact CE2-CD1 4.3Å; F2-F11 AromaticContact CE2-CD2 3.45Å; F2-F11 HydrophobicContact CE2-CD2 3.45Å; F2-F11 VanDerWaalsContact CE2-CD2 3.45Å; F2-F11 HydrophobicContact CE2-CE2 4.13Å; F2-F11 AromaticContact CE2-CG 3.54Å; F2-F11 HydrophobicContact CE2-CG 3.54Å; F2-F11 HydrophobicContact CZ-CB 3.5Å; F2-F11 VanDerWaalsContact CZ-CB 3.5Å; F2-F11 HydrophobicContact CZ-CD1 4.39Å; F2-F11 HydrophobicContact CZ-CD2 4.19Å; F2-F11 AromaticContact CZ-CG 3.8Å; F2-F11 HydrophobicContact CZ-CG 3.8Å; F2-Y12 WeakPolarHBondContact CA-O 3.38Å; F2-A13 HydrophobicContact CD2-CB 4.27Å; F2-E42 HydrophobicContact CB-CB 3.71Å; F2-E42 PolarHBondContact N-OE2 3.38Å; F2-I43 HydrophobicContact CD2-CB 4.44Å; F2-I43 HydrophobicContact CD2-CG1 3.72Å; F2-I43 HydrophobicContact CE2-CB 4.26Å; F2-I43 HydrophobicContact CE2-CG1 3.82Å; F2-I43 HydrophobicContact CE2-CG2 4.17Å; F2-P44 HydrophobicContact CE1-CG 3.86Å; F2-P44 HydrophobicContact CZ-CG 4.24Å |
| 3 | V | 93.4 | Very high | 92.5 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 124.5 | 177 | -179 | 0 | 0 | 0 | 0 | 109.6 | M1 L5 F11 Y12 | M1-V3 HydrophobicContact CE-CG2 3.67Å; M1-V3 HydrophobicContact CG-CG2 4.17Å; M1-V3 HydrophobicContact SD-CG2 4.22Å; V3-L5 HydrophobicContact CG1-CD2 4.39Å; V3-F11 CarbonylContact O-C 3.36Å; V3-F11 VanDerWaalsContact O-CA 3.25Å; V3-F11 WeakPolarHBondContact O-CA 3.21Å; V3-F11 WeakPolarHBondContact O-CB 3.03Å; V3-Y12 HydrophobicContact CB-CD1 4.24Å; V3-Y12 HydrophobicContact CG2-CD1 4.1Å; V3-Y12 PolarHBondContact N-O 3.15Å; V3-Y12 PolarHBondContact O-N 3.11Å |
| 4 | N | 93.7 | Very high | 92.8 | Very high | 99 Ų | 99 | 47.3 Ų | 47.3 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 137.7 | 170 | -76.1 | -50.9 | 0 | 0 | 0 | 110.5 | F2 | F2-N4 WeakPolarHBondContact CE1-OD1 3.49Å |
| 5 | L | 93.8 | Very high | 93 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | trans | -113.2 | 146.5 | 176.3 | -59.6 | 173 | 0 | 0 | 0 | 109 | V3 A9 L10 I103 W143 L148 | V3-L5 HydrophobicContact CG1-CD2 4.39Å; L5-A9 CarbonylContact C-O 3.59Å; L5-A9 HydrophobicContact CB-CB 4.04Å; L5-A9 HydrophobicContact CD1-CB 3.66Å; L5-L10 PolarHBondContact N-O 3.49Å; L5-I103 HydrophobicContact CD1-CG2 3.92Å; L5-W143 HydrophobicContact CB-CH2 4.43Å; L5-W143 HydrophobicContact CD1-CE3 4.36Å; L5-W143 HydrophobicContact CD1-CH2 4.25Å; L5-W143 HydrophobicContact CD1-CZ3 3.76Å; L5-W143 HydrophobicContact CD2-CZ3 4.47Å; L5-L148 HydrophobicContact CD2-CD1 4.02Å | ||
| 6 | T | 85.1 | Confident | 93.3 | Very high | 145 Ų | 145 | 46.8 Ų | 46.8 | 89% | 0.89 | 28% | 0.284 | S | S | * | . | trans | -124.9 | -7 | -173.2 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 7 | A | 83.5 | Confident | 93.5 | Very high | 83 Ų | 83 | 44.1 Ų | 44.1 | 69% | 0.686 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -106 | 32.5 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | W143 | A7-W143 HydrophobicContact CB-CZ2 4.41Å; A7-W143 WeakPolarHBondContact O-CZ2 3.29Å |
| 8 | G | 85.4 | Confident | 93.6 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 57% | 0.567 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 106.3 | 3.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | W143 | G8-W143 PolarHBondContact O-NE1 2.96Š|
| 9 | A | 94.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | trans | -118.9 | 165.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L5 I103 V105 W143 | L5-A9 CarbonylContact C-O 3.59Å; L5-A9 HydrophobicContact CB-CB 4.04Å; L5-A9 HydrophobicContact CD1-CB 3.66Å; A9-I103 HydrophobicContact CB-CG2 3.88Å; A9-V105 HydrophobicContact CB-CG1 4.16Å; A9-W143 HydrophobicContact CB-CD2 3.55Å; A9-W143 HydrophobicContact CB-CE3 3.75Å; A9-W143 HydrophobicContact CB-CG 4.24Å; A9-W143 HydrophobicContact CB-CH2 3.68Å; A9-W143 HydrophobicContact CB-CZ2 3.46Å; A9-W143 VanDerWaalsContact CB-CZ2 3.46Å; A9-W143 HydrophobicContact CB-CZ3 3.81Å; A9-W143 VanDerWaalsContact N-CZ2 3.26Å | ||
| 10 | L | 96.8 | Very high | 93.1 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | trans | -93.2 | -53.2 | -175.5 | -55.3 | -179.9 | 0 | 0 | 0 | 110.6 | L5 Y52 A104 | L5-L10 PolarHBondContact N-O 3.49Å; L10-Y52 HydrophobicContact CD1-CD1 3.81Å; L10-Y52 HydrophobicContact CD1-CE1 3.66Å; L10-A104 HydrophobicContact CB-CB 4.5Å; L10-A104 WeakPolarHBondContact CB-O 3.47Å; L10-A104 PolarHBondContact N-O 2.98Å | ||
| 11 | F | 97.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 2% | 0.022 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 163.9 | -179.8 | 62.1 | -94.9 | 0 | 0 | 0 | 111.9 | F2 V3 A13 T47 Y52 M68 I70 I103 A104 | F2-F11 HydrophobicContact CD2-CD2 4.17Å; F2-F11 HydrophobicContact CE1-CB 4.37Å; F2-F11 HydrophobicContact CE2-CB 3.64Å; F2-F11 HydrophobicContact CE2-CD1 4.3Å; F2-F11 AromaticContact CE2-CD2 3.45Å; F2-F11 HydrophobicContact CE2-CD2 3.45Å; F2-F11 VanDerWaalsContact CE2-CD2 3.45Å; F2-F11 HydrophobicContact CE2-CE2 4.13Å; F2-F11 AromaticContact CE2-CG 3.54Å; F2-F11 HydrophobicContact CE2-CG 3.54Å; F2-F11 HydrophobicContact CZ-CB 3.5Å; F2-F11 VanDerWaalsContact CZ-CB 3.5Å; F2-F11 HydrophobicContact CZ-CD1 4.39Å; F2-F11 HydrophobicContact CZ-CD2 4.19Å; F2-F11 AromaticContact CZ-CG 3.8Å; F2-F11 HydrophobicContact CZ-CG 3.8Å; V3-F11 CarbonylContact O-C 3.36Å; V3-F11 VanDerWaalsContact O-CA 3.25Å; V3-F11 WeakPolarHBondContact O-CA 3.21Å; V3-F11 WeakPolarHBondContact O-CB 3.03Å; F11-A13 HydrophobicContact CD2-CB 4.48Å; F11-T47 HydrophobicContact CE1-CG2 4.05Å; F11-Y52 HydrophobicContact CE1-CD1 4.24Å; F11-Y52 AromaticContact CE1-CE1 3.98Å; F11-Y52 HydrophobicContact CE1-CE1 3.98Å; F11-M68 HydrophobicContact CE1-CE 4.46Å; F11-M68 HydrophobicContact CE2-CE 3.81Å; F11-M68 HydrophobicContact CZ-CE 3.4Å; F11-I70 HydrophobicContact CE1-CD1 4.25Å; F11-I70 HydrophobicContact CZ-CD1 3.78Å; F11-I103 WeakPolarHBondContact O-CA 3.45Å; F11-A104 HydrophobicContact CD1-CB 4.03Å; F11-A104 HydrophobicContact CD2-CB 4.23Å; F11-A104 HydrophobicContact CE1-CB 3.66Å; F11-A104 HydrophobicContact CE2-CB 3.88Å; F11-A104 HydrophobicContact CG-CB 4.31Å; F11-A104 HydrophobicContact CZ-CB 3.58Å; F11-A104 PolarHBondContact N-O 3.46Å; F11-A104 PolarHBondContact O-N 3.2Å |
| 12 | Y | 97.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.7 | 166.5 | 164.7 | -96.2 | 0 | 0 | 0 | 110 | M1 F2 V3 S14 K101 V102 I103 L148 | M1-Y12 HydrophobicContact SD-CE1 4.4Å; F2-Y12 WeakPolarHBondContact CA-O 3.38Å; V3-Y12 HydrophobicContact CB-CD1 4.24Å; V3-Y12 HydrophobicContact CG2-CD1 4.1Å; V3-Y12 PolarHBondContact N-O 3.15Å; V3-Y12 PolarHBondContact O-N 3.11Å; Y12-S14 WeakPolarHBondContact OH-CB 3.37Å; Y12-K101 HydrophobicContact CE2-CB 3.95Å; Y12-K101 HydrophobicContact CE2-CD 4.48Å; Y12-K101 HydrophobicContact CE2-CG 4.19Å; Y12-V102 CarbonylContact C-O 3.54Å; Y12-V102 VanDerWaalsContact CA-O 3.23Å; Y12-V102 WeakPolarHBondContact CA-O 3.42Å; Y12-V102 WeakPolarHBondContact CD2-O 3.46Å; Y12-I103 HydrophobicContact CD2-CG1 3.87Å; Y12-L148 HydrophobicContact CD1-CD1 4.38Å; Y12-L148 HydrophobicContact CD1-CD2 4.2Å; Y12-L148 HydrophobicContact CD2-CB 3.97Å; Y12-L148 HydrophobicContact CD2-CD1 4.09Å; Y12-L148 HydrophobicContact CD2-CG 4.48Å; Y12-L148 HydrophobicContact CE1-CD2 4.23Å; Y12-L148 HydrophobicContact CE2-CB 3.95Å; Y12-L148 HydrophobicContact CG-CB 4.44Å; Y12-L148 HydrophobicContact CG-CD1 3.84Å; Y12-L148 HydrophobicContact CG-CD2 4.39Å; Y12-L148 HydrophobicContact CG-CG 4.48Å |
| 13 | A | 97.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1 F2 F11 L35 I39 V102 | M1-A13 CarbonylContact O-C 3.46Å; M1-A13 WeakPolarHBondContact O-CA 3.42Å; F2-A13 HydrophobicContact CD2-CB 4.27Å; F11-A13 HydrophobicContact CD2-CB 4.48Å; A13-L35 HydrophobicContact CB-CD2 4.14Å; A13-I39 HydrophobicContact CB-CG2 4.15Å; A13-V102 HydrophobicContact CB-CG2 3.82Å; A13-V102 PolarHBondContact N-O 3.42Å; A13-V102 WeakPolarHBondContact O-CG2 3.23Å; A13-V102 PolarHBondContact O-N 2.97Å |
| 14 | S | 96.7 | Very high | 88.3 | Confident | 11 Ų | 11 | 57 Ų | 57 | 8% | 0.077 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.6 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | M1 Y12 I39 T99 I100 | M1-S14 PolarHBondContact N-O 3.49Å; M1-S14 PolarHBondContact O-N 3.25Å; Y12-S14 WeakPolarHBondContact OH-CB 3.37Å; S14-I39 WeakPolarHBondContact O-CG1 3.49Å; S14-T99 WeakPolarHBondContact OG-CG2 3.45Å; S14-I100 VanDerWaalsContact CA-O 3.32Å; S14-I100 WeakPolarHBondContact CA-O 3.44Å |
| 15 | G | 96 | Very high | 87.2 | Confident | 5 Ų | 5 | 54 Ų | 54 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E36 I100 | G15-E36 WeakPolarHBondContact CA-OE1 3.32Å; G15-I100 PolarHBondContact N-O 3.47Å; G15-I100 VanDerWaalsContact N-O 3.14Å; G15-I100 PolarHBondContact O-N 3.47Å |
| 16 | K | 97.5 | Very high | 86 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 35% | 0.352 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 143.5 | 176.8 | -63.1 | -50.8 | -161 | 171.2 | 0 | 112.9 | V18 E36 G97 D98 T99 | K16-V18 HydrophobicContact CB-CG1 4.48Å; K16-E36 HydrophobicContact CB-CB 4.41Å; K16-E36 HydrophobicContact CB-CG 4.48Å; K16-E36 PolarHBondContact N-OE1 3.12Å; K16-E36 PolarHBondContact O-N 3.37Å; K16-G97 VanDerWaalsContact CD-O 3.32Å; K16-G97 WeakPolarHBondContact CD-O 3.37Å; K16-G97 WeakPolarHBondContact CE-O 3.42Å; K16-G97 PolarHBondContact NZ-O 3.45Å; K16-D98 WeakPolarHBondContact CA-O 3.24Å; K16-T99 PolarHBondContact NZ-OG1 3.32Å |
| 17 | V | 97.2 | Very high | 85.4 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.6 | 165.6 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | A33 N34 L58 F95 Y96 G97 D98 I100 | V17-A33 HydrophobicContact CG1-CB 3.82Å; V17-A33 HydrophobicContact CG2-CB 4.1Å; V17-N34 CarbonylContact C-O 3.56Å; V17-N34 WeakPolarHBondContact CA-O 3.29Å; V17-L58 HydrophobicContact CG2-CD2 4.25Å; V17-F95 HydrophobicContact CB-CD2 4.23Å; V17-F95 HydrophobicContact CG1-CD2 3.98Å; V17-F95 HydrophobicContact CG1-CE2 3.99Å; V17-F95 HydrophobicContact CG2-CD2 3.9Å; V17-F95 HydrophobicContact CG2-CE2 4.01Å; V17-Y96 HydrophobicContact CG1-CD1 4.12Å; V17-G97 PolarHBondContact O-N 3.5Å; V17-D98 PolarHBondContact N-O 2.68Å; V17-I100 HydrophobicContact CG2-CB 3.66Å; V17-I100 HydrophobicContact CG2-CG2 3.57Å |
| 18 | V | 95.8 | Very high | 85.2 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 166.5 | -177.8 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | K16 G20 N34 E36 Y96 | K16-V18 HydrophobicContact CB-CG1 4.48Å; V18-G20 PolarHBondContact O-N 2.55Å; V18-N34 HydrophobicContact CG2-CB 4.04Å; V18-N34 PolarHBondContact N-O 3.14Å; V18-E36 HydrophobicContact CG1-CB 3.77Å; V18-Y96 WeakPolarHBondContact O-CE1 3.43Å |
| 19 | H | 91 | Very high | 85.2 | Confident | 139 Ų | 139 | 59.5 Ų | 59.5 | 64% | 0.644 | 33% | 0.325 | S | S | * | . | trans | -70.9 | 128.9 | 171.5 | -68.8 | 83 | 0 | 0 | 0 | 109.6 | Y96 | H19-Y96 AromaticContact CD2-CE1 3.94Å; H19-Y96 AromaticContact CD2-CE2 3.97Å; H19-Y96 AromaticContact CD2-CZ 3.83Å; H19-Y96 AromaticContact CE1-CD1 3.99Å; H19-Y96 AromaticContact CE1-CD2 3.83Å; H19-Y96 AromaticContact CE1-CG 3.63Å; H19-Y96 AromaticContact ND1-CD1 4Å; H19-Y96 AromaticContact NE2-CD2 3.54Å; H19-Y96 AromaticContact NE2-CE2 3.67Å; H19-Y96 AromaticContact NE2-CG 3.78Å | ||
| 20 | G | 85.2 | Confident | 84.9 | Confident | 27 Ų | 27 | 60 Ų | 60 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | trans | -83.8 | -170.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V18 G22 | V18-G20 PolarHBondContact O-N 2.55Å; G20-G22 PolarHBondContact O-N 3.31Å | ||
| 21 | F | 76.3 | Confident | 84.7 | Confident | 93 Ų | 93 | 61.1 Ų | 61.1 | 41% | 0.408 | 34% | 0.338 | S | S | . | . | trans | -77.7 | -0.2 | -179.9 | -64.1 | -80.9 | 0 | 0 | 0 | 114.5 | R23 N73 Y75 F76 | F21-R23 VanDerWaalsContact C-N 3.27Å; F21-R23 WeakPolarHBondContact O-CG 3.28Å; F21-R23 PolarHBondContact O-N 2.86Å; F21-R23 VanDerWaalsContact O-N 3.15Å; F21-N73 WeakPolarHBondContact CE2-ND2 3.43Å; F21-Y75 HydrophobicContact CD1-CD1 4.03Å; F21-Y75 HydrophobicContact CD1-CD2 4.09Å; F21-Y75 HydrophobicContact CD1-CE1 4.26Å; F21-Y75 HydrophobicContact CD1-CE2 4.32Å; F21-Y75 AromaticContact CD1-CG 3.93Å; F21-Y75 HydrophobicContact CD1-CG 3.93Å; F21-Y75 AromaticContact CE1-CD1 3.21Å; F21-Y75 HydrophobicContact CE1-CD1 3.21Å; F21-Y75 HydrophobicContact CE1-CD2 4.06Å; F21-Y75 AromaticContact CE1-CE1 3.34Å; F21-Y75 HydrophobicContact CE1-CE1 3.34Å; F21-Y75 HydrophobicContact CE1-CE2 4.16Å; F21-Y75 AromaticContact CE1-CG 3.6Å; F21-Y75 HydrophobicContact CE1-CG 3.6Å; F21-Y75 AromaticContact CE1-CZ 3.82Å; F21-Y75 HydrophobicContact CE2-CD1 4.25Å; F21-Y75 AromaticContact CZ-CD1 3.36Å; F21-Y75 HydrophobicContact CZ-CD1 3.36Å; F21-Y75 AromaticContact CZ-CE1 3.81Å; F21-Y75 HydrophobicContact CZ-CE1 3.81Å; F21-Y75 AromaticContact CZ-CG 3.92Å; F21-Y75 HydrophobicContact CZ-CG 3.92Å; F21-F76 HydrophobicContact CE2-CD2 4.4Å; F21-F76 AromaticContact CE2-CE2 3.71Å; F21-F76 HydrophobicContact CE2-CE2 3.71Å; F21-F76 HydrophobicContact CE2-CZ 4.37Å; F21-F76 HydrophobicContact CZ-CD2 4.29Å; F21-F76 AromaticContact CZ-CE2 3.44Å; F21-F76 HydrophobicContact CZ-CE2 3.44Å; F21-F76 VanDerWaalsContact CZ-CE2 3.44Å; F21-F76 AromaticContact CZ-CZ 3.66Å; F21-F76 HydrophobicContact CZ-CZ 3.66Å | ||
| 22 | G | 65.9 | Low | 84.5 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 63% | 0.629 | 35% | 0.347 | S | S | * | . | trans | 65.8 | 18.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | G20 | G20-G22 PolarHBondContact O-N 3.31Š| ||
| 23 | R | 64.5 | Low | 84.4 | Confident | 204 Ų | 204 | 62.3 Ų | 62.3 | 77% | 0.77 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -87.5 | -22 | -171.4 | -62 | -164.8 | 179.9 | -173.4 | -0.2 | 115.6 | F21 | F21-R23 VanDerWaalsContact C-N 3.27Å; F21-R23 WeakPolarHBondContact O-CG 3.28Å; F21-R23 PolarHBondContact O-N 2.86Å; F21-R23 VanDerWaalsContact O-N 3.15Å |
| 24 | G | 64.7 | Low | 84.3 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -123.8 | -54.2 | -172 | 0 | 0 | 0 | 0 | 0 | 115 | K26 Q27 L28 | G24-K26 VanDerWaalsContact C-N 3.33Å; G24-K26 PolarHBondContact O-N 2.88Å; G24-K26 VanDerWaalsContact O-N 3.11Å; G24-Q27 PolarHBondContact O-N 2.95Å; G24-L28 VanDerWaalsContact O-CG 3.29Å; G24-L28 WeakPolarHBondContact O-CG 3.4Å; G24-L28 PolarHBondContact O-N 2.98Å |
| 25 | S | 70.1 | Confident | 84.3 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.5 | -40.5 | -164.1 | 57.2 | 0 | 0 | 0 | 0 | 115.3 | G29 I30 | S25-G29 PolarHBondContact O-N 3.07Å; S25-I30 VanDerWaalsContact CB-O 3.28Å; S25-I30 WeakPolarHBondContact CB-O 3.47Å; S25-I30 PolarHBondContact O-N 2.81Å; S25-I30 VanDerWaalsContact O-N 3.15Å |
| 26 | K | 69 | Low | 84.3 | Confident | 189 Ų | 189 | 65.3 Ų | 65.3 | 82% | 0.822 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | 176.9 | -73.4 | -173.6 | 178.9 | -178.7 | 0 | 113.2 | G24 G29 | G24-K26 VanDerWaalsContact C-N 3.33Å; G24-K26 PolarHBondContact O-N 2.88Å; G24-K26 VanDerWaalsContact O-N 3.11Å; K26-G29 PolarHBondContact O-N 3Å |
| 27 | Q | 70.8 | Confident | 84.1 | Confident | 144 Ų | 144 | 66.1 Ų | 66.1 | 67% | 0.673 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -71.8 | -34.6 | 178.5 | -176.3 | 177.4 | -4.4 | 0 | 0 | 111.4 | G24 G29 | G24-Q27 PolarHBondContact O-N 2.95Å; Q27-G29 VanDerWaalsContact C-N 3.32Å |
| 28 | L | 81.3 | Confident | 84 | Confident | 32 Ų | 32 | 69 Ų | 69 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -75.6 | -20.4 | 178.1 | -59 | 172.8 | 0 | 0 | 0 | 112.7 | G24 I30 I117 L120 I121 I124 | G24-L28 VanDerWaalsContact O-CG 3.29Å; G24-L28 WeakPolarHBondContact O-CG 3.4Å; G24-L28 PolarHBondContact O-N 2.98Å; L28-I30 HydrophobicContact CB-CB 4.42Å; L28-I30 HydrophobicContact CB-CG1 4.37Å; L28-I30 PolarHBondContact O-N 3.48Å; L28-I117 HydrophobicContact CD2-CG2 3.68Å; L28-L120 HydrophobicContact CD1-CD2 4.12Å; L28-L120 HydrophobicContact CD2-CD2 4.24Å; L28-I121 HydrophobicContact CB-CG1 4.49Å; L28-I121 HydrophobicContact CD2-CD1 3.87Å; L28-I121 HydrophobicContact CD2-CG1 3.48Å; L28-I121 VanDerWaalsContact CD2-CG1 3.48Å; L28-I124 HydrophobicContact CD1-CD1 4.19Å |
| 29 | G | 84.4 | Confident | 83.9 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 64% | 0.639 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 18.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S25 K26 Q27 | S25-G29 PolarHBondContact O-N 3.07Å; K26-G29 PolarHBondContact O-N 3Å; Q27-G29 VanDerWaalsContact C-N 3.32Å |
| 30 | I | 88.8 | Confident | 84.1 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | trans | -123.7 | 90.5 | -175.3 | -53.7 | 175.3 | 0 | 0 | 0 | 107.9 | S25 L28 I124 | S25-I30 VanDerWaalsContact CB-O 3.28Å; S25-I30 WeakPolarHBondContact CB-O 3.47Å; S25-I30 PolarHBondContact O-N 2.81Å; S25-I30 VanDerWaalsContact O-N 3.15Å; L28-I30 HydrophobicContact CB-CB 4.42Å; L28-I30 HydrophobicContact CB-CG1 4.37Å; L28-I30 PolarHBondContact O-N 3.48Å; I30-I124 HydrophobicContact CD1-CB 3.85Å; I30-I124 HydrophobicContact CD1-CD1 4Å; I30-I124 HydrophobicContact CD1-CG2 3.47Å; I30-I124 VanDerWaalsContact CD1-CG2 3.47Å; I30-I124 HydrophobicContact CG2-CG2 4.05Å | ||
| 31 | P | 91.4 | Very high | 84.5 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | trans | -70.1 | 135.1 | -174.2 | 27.2 | -34.6 | 0 | 0 | 0 | 112.2 | H86 | P31-H86 PolarHBondContact O-ND1 2.99Š| ||
| 32 | T | 93.9 | Very high | 85.4 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | trans | -120.6 | 142.5 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | E84 V85 H86 | T32-E84 WeakPolarHBondContact CB-OE2 3.43Å; T32-E84 HydrophobicContact CG2-CB 4.41Å; T32-E84 PolarHBondContact OG1-OE2 2.98Å; T32-V85 WeakPolarHBondContact CA-O 3.41Å; T32-H86 HydrophobicContact CG2-CB 4.31Å | ||
| 33 | A | 95.2 | Very high | 86.8 | Confident | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 115 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | V17 E84 V85 F95 I100 | V17-A33 HydrophobicContact CG1-CB 3.82Å; V17-A33 HydrophobicContact CG2-CB 4.1Å; A33-E84 WeakPolarHBondContact O-CA 3.48Å; A33-V85 HydrophobicContact CB-CB 4.38Å; A33-V85 PolarHBondContact N-O 2.78Å; A33-V85 PolarHBondContact O-N 3.15Å; A33-F95 HydrophobicContact CB-CE2 3.65Å; A33-F95 HydrophobicContact CB-CZ 4.13Å; A33-I100 HydrophobicContact CB-CD1 4.24Å |
| 34 | N | 95.7 | Very high | 88.2 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128.8 | 176.7 | -71.7 | -111.3 | 0 | 0 | 0 | 108.4 | V17 V18 V83 | V17-N34 CarbonylContact C-O 3.56Å; V17-N34 WeakPolarHBondContact CA-O 3.29Å; V18-N34 HydrophobicContact CG2-CB 4.04Å; V18-N34 PolarHBondContact N-O 3.14Å; N34-V83 WeakPolarHBondContact CA-O 3.34Å |
| 35 | L | 96.1 | Very high | 89.4 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 140.8 | 174.3 | -165.5 | 63.4 | 0 | 0 | 0 | 110.2 | A13 I39 V40 V83 I100 | A13-L35 HydrophobicContact CB-CD2 4.14Å; L35-I39 HydrophobicContact CD2-CB 4.02Å; L35-I39 HydrophobicContact CD2-CG2 3.7Å; L35-I39 HydrophobicContact CG-CB 4.16Å; L35-I39 HydrophobicContact CG-CG2 4.33Å; L35-V40 HydrophobicContact CB-CG2 4.15Å; L35-V83 HydrophobicContact CB-CB 4.02Å; L35-V83 HydrophobicContact CB-CG1 4.24Å; L35-V83 HydrophobicContact CD2-CB 4.45Å; L35-V83 HydrophobicContact CD2-CG1 4.34Å; L35-V83 PolarHBondContact N-O 2.72Å; L35-I100 HydrophobicContact CD1-CG2 3.65Å |
| 36 | E | 95.5 | Very high | 90.5 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 23% | 0.229 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 145.8 | 179 | 69.8 | -174.4 | 155.1 | 0 | 0 | 113.3 | G15 K16 V18 S38 I39 V40 | G15-E36 WeakPolarHBondContact CA-OE1 3.32Å; K16-E36 HydrophobicContact CB-CB 4.41Å; K16-E36 HydrophobicContact CB-CG 4.48Å; K16-E36 PolarHBondContact N-OE1 3.12Å; K16-E36 PolarHBondContact O-N 3.37Å; V18-E36 HydrophobicContact CG1-CB 3.77Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 WeakPolarHBondContact CG-OG 3.42Å; E36-S38 PolarHBondContact O-N 3.09Å; E36-I39 HydrophobicContact CG-CB 4.33Å; E36-I39 HydrophobicContact CG-CG1 3.66Å; E36-I39 PolarHBondContact O-N 2.69Å; E36-I39 VanDerWaalsContact O-N 3.12Å; E36-I39 WeakPolarHBondContact OE1-CG1 3.19Å; E36-V40 WeakPolarHBondContact O-CG2 3.43Å; E36-V40 PolarHBondContact O-N 2.78Å |
| 37 | E | 93.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | -170.2 | -165.9 | -169.9 | 139.3 | 0 | 0 | 113.3 | I39 V40 S41 K80 | E37-I39 PolarHBondContact O-N 2.83Å; E37-V40 PolarHBondContact O-N 2.98Å; E37-S41 WeakPolarHBondContact O-CB 3.24Å; E37-S41 PolarHBondContact O-N 3.2Å; E37-K80 HydrophobicContact CG-CD 4.47Å; E37-K80 VanDerWaalsContact OE1-CD 3.29Å; E37-K80 WeakPolarHBondContact OE1-CD 3.45Å; E37-K80 WeakPolarHBondContact OE1-CE 3.25Å; E37-K80 IonicContact OE1-NZ 2.93Å; E37-K80 PolarHBondContact OE1-NZ 2.86Å; E37-K80 IonicContact OE2-NZ 2.77Å; E37-K80 PolarHBondContact OE2-NZ 2.83Å |
| 38 | S | 94.4 | Very high | 93 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 43% | 0.427 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.1 | -41.7 | 178.3 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | E36 S41 E42 | E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 WeakPolarHBondContact CG-OG 3.42Å; E36-S38 PolarHBondContact O-N 3.09Å; S38-S41 PolarHBondContact O-N 3.24Å; S38-S41 PolarHBondContact O-OG 2.94Å; S38-E42 PolarHBondContact O-N 3.14Å |
| 39 | I | 95.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.9 | -36.6 | 179.5 | -51.5 | -42.5 | 0 | 0 | 0 | 111.5 | A13 S14 L35 E36 E37 S41 E42 | A13-I39 HydrophobicContact CB-CG2 4.15Å; S14-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 HydrophobicContact CD2-CB 4.02Å; L35-I39 HydrophobicContact CD2-CG2 3.7Å; L35-I39 HydrophobicContact CG-CB 4.16Å; L35-I39 HydrophobicContact CG-CG2 4.33Å; E36-I39 HydrophobicContact CG-CB 4.33Å; E36-I39 HydrophobicContact CG-CG1 3.66Å; E36-I39 PolarHBondContact O-N 2.69Å; E36-I39 VanDerWaalsContact O-N 3.12Å; E36-I39 WeakPolarHBondContact OE1-CG1 3.19Å; E37-I39 PolarHBondContact O-N 2.83Å; I39-S41 PolarHBondContact O-N 2.98Å; I39-E42 WeakPolarHBondContact O-CB 3.5Å; I39-E42 PolarHBondContact O-N 2.84Å |
| 40 | V | 95.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.4 | -34.7 | 174 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | L35 E36 E37 E42 I43 R81 V83 | L35-V40 HydrophobicContact CB-CG2 4.15Å; E36-V40 WeakPolarHBondContact O-CG2 3.43Å; E36-V40 PolarHBondContact O-N 2.78Å; E37-V40 PolarHBondContact O-N 2.98Å; V40-E42 VanDerWaalsContact C-N 3.29Å; V40-E42 PolarHBondContact O-N 2.87Å; V40-I43 WeakPolarHBondContact O-CB 3.14Å; V40-I43 PolarHBondContact O-N 2.91Å; V40-R81 HydrophobicContact CG1-CB 3.93Å; V40-R81 WeakPolarHBondContact CG1-O 3.3Å; V40-V83 HydrophobicContact CB-CG2 4.46Å; V40-V83 HydrophobicContact CG1-CG2 4.08Å; V40-V83 HydrophobicContact CG2-CB 3.96Å; V40-V83 HydrophobicContact CG2-CG2 3.8Å |
| 41 | S | 93.8 | Very high | 94.9 | Very high | 91 Ų | 91 | 50.5 Ų | 50.5 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.7 | -20.8 | 176.2 | 79.5 | 0 | 0 | 0 | 0 | 114.2 | E37 S38 I39 I43 | E37-S41 WeakPolarHBondContact O-CB 3.24Å; E37-S41 PolarHBondContact O-N 3.2Å; S38-S41 PolarHBondContact O-N 3.24Å; S38-S41 PolarHBondContact O-OG 2.94Å; I39-S41 PolarHBondContact O-N 2.98Å; S41-I43 VanDerWaalsContact C-N 3.32Å |
| 42 | E | 95.1 | Very high | 95.2 | Very high | 92 Ų | 92 | 46.5 Ų | 46.5 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -79.4 | -15.6 | 174.1 | -67.6 | 175.5 | -156.5 | 0 | 0 | 112.6 | M1 F2 S38 I39 V40 P44 | M1-E42 VanDerWaalsContact C-OE2 3.3Å; M1-E42 VanDerWaalsContact CA-OE2 3.24Å; M1-E42 WeakPolarHBondContact CA-OE2 3.39Å; F2-E42 HydrophobicContact CB-CB 3.71Å; F2-E42 PolarHBondContact N-OE2 3.38Å; S38-E42 PolarHBondContact O-N 3.14Å; I39-E42 WeakPolarHBondContact O-CB 3.5Å; I39-E42 PolarHBondContact O-N 2.84Å; V40-E42 VanDerWaalsContact C-N 3.29Å; V40-E42 PolarHBondContact O-N 2.87Å; E42-P44 WeakPolarHBondContact O-CD 3.5Å |
| 43 | I | 93.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -67.7 | 129.1 | 178.2 | -59 | -179.6 | 0 | 0 | 0 | 108.4 | F2 V40 S41 T47 R81 V83 | F2-I43 HydrophobicContact CD2-CB 4.44Å; F2-I43 HydrophobicContact CD2-CG1 3.72Å; F2-I43 HydrophobicContact CE2-CB 4.26Å; F2-I43 HydrophobicContact CE2-CG1 3.82Å; F2-I43 HydrophobicContact CE2-CG2 4.17Å; V40-I43 WeakPolarHBondContact O-CB 3.14Å; V40-I43 PolarHBondContact O-N 2.91Å; S41-I43 VanDerWaalsContact C-N 3.32Å; I43-T47 HydrophobicContact CG2-CG2 3.82Å; I43-R81 PolarHBondContact O-NH2 3.17Å; I43-V83 HydrophobicContact CD1-CG2 3.48Å; I43-V83 VanDerWaalsContact CD1-CG2 3.48Å |
| 44 | P | 94.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | trans | -60.2 | 146.6 | 177.4 | -25.8 | 34.6 | 0 | 0 | 0 | 113 | F2 E42 S46 T47 R81 | F2-P44 HydrophobicContact CE1-CG 3.86Å; F2-P44 HydrophobicContact CZ-CG 4.24Å; E42-P44 WeakPolarHBondContact O-CD 3.5Å; P44-S46 PolarHBondContact O-N 2.92Å; P44-T47 VanDerWaalsContact O-CB 3.3Å; P44-T47 WeakPolarHBondContact O-CB 3.32Å; P44-T47 PolarHBondContact O-N 2.77Å; P44-T47 PolarHBondContact O-OG1 2.88Å; P44-R81 VanDerWaalsContact C-NH2 3.31Å; P44-R81 PolarHBondContact O-NH1 3.07Å; P44-R81 PolarHBondContact O-NH2 2.76Å | ||
| 45 | D | 91.7 | Very high | 95.8 | Very high | 148 Ų | 148 | 44.4 Ų | 44.4 | 79% | 0.791 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.8 | 174.2 | -68.3 | -26.3 | 0 | 0 | 0 | 112.6 | T47 R81 | D45-T47 VanDerWaalsContact C-N 3.25Å; D45-T47 PolarHBondContact O-N 2.65Å; D45-R81 IonicContact OD1-NH2 2.66Å |
| 46 | S | 93.1 | Very high | 95.9 | Very high | 109 Ų | 109 | 43.9 Ų | 43.9 | 76% | 0.762 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.5 | 174 | 58 | 0 | 0 | 0 | 0 | 113.6 | P44 K48 | P44-S46 PolarHBondContact O-N 2.92Å; S46-K48 PolarHBondContact O-N 3.33Å |
| 47 | T | 96 | Very high | 96 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -70.8 | 115.3 | 172.5 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | F11 I43 P44 D45 Y52 I70 R81 | F11-T47 HydrophobicContact CE1-CG2 4.05Å; I43-T47 HydrophobicContact CG2-CG2 3.82Å; P44-T47 VanDerWaalsContact O-CB 3.3Å; P44-T47 WeakPolarHBondContact O-CB 3.32Å; P44-T47 PolarHBondContact O-N 2.77Å; P44-T47 PolarHBondContact O-OG1 2.88Å; D45-T47 VanDerWaalsContact C-N 3.25Å; D45-T47 PolarHBondContact O-N 2.65Å; T47-Y52 WeakPolarHBondContact CG2-OH 2.92Å; T47-I70 HydrophobicContact CG2-CD1 3.98Å; T47-R81 PolarHBondContact O-NH1 3.41Å |
| 48 | K | 96.2 | Very high | 96.2 | Very high | 134 Ų | 134 | 39 Ų | 39 | 58% | 0.583 | 22% | 0.219 | S | C | * | . | trans | -60.1 | 145.7 | -178.3 | -65 | -179.6 | -179.3 | 178.8 | 0 | 111.6 | S46 Y52 Y107 | S46-K48 PolarHBondContact O-N 3.33Å; K48-Y52 WeakPolarHBondContact O-CE2 3.4Å; K48-Y52 PolarHBondContact O-OH 3.13Å; K48-Y107 HydrophobicContact CB-CD2 4.3Å; K48-Y107 HydrophobicContact CB-CE2 3.8Å; K48-Y107 HydrophobicContact CD-CE1 4.27Å; K48-Y107 HydrophobicContact CD-CE2 4.41Å | ||
| 49 | N | 96.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -75.1 | 147 | 163.8 | -67.7 | 3 | 0 | 0 | 0 | 110.5 | I70 W72 R81 E111 | N49-I70 CarbonylContact C-O 3.45Å; N49-I70 WeakPolarHBondContact CA-O 3.31Å; N49-I70 VanDerWaalsContact CB-O 3.26Å; N49-I70 WeakPolarHBondContact CB-O 3.44Å; N49-W72 PolarHBondContact ND2-NE1 3.02Å; N49-W72 VanDerWaalsContact ND2-NE1 3.2Å; N49-R81 WeakPolarHBondContact OD1-CD 3.14Å; N49-E111 HydrophobicContact CB-CG 4.19Å; N49-E111 WeakPolarHBondContact CB-OE2 3.4Å; N49-E111 PolarHBondContact ND2-OE2 2.99Å; N49-E111 VanDerWaalsContact ND2-OE2 3.1Å |
| 50 | G | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | -160.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I70 R109 | G50-I70 PolarHBondContact N-O 2.98Å; G50-I70 PolarHBondContact O-N 3.29Å; G50-R109 CarbonylContact C-O 3.56Å; G50-R109 WeakPolarHBondContact CA-O 3.33Å |
| 51 | I | 98.5 | Very high | 95.9 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.6 | -176.2 | -54.1 | -52.6 | 0 | 0 | 0 | 110.3 | F53 V67 M68 F108 R109 D127 | I51-F53 HydrophobicContact CG2-CD1 4.5Å; I51-F53 HydrophobicContact CG2-CE1 4.11Å; I51-V67 HydrophobicContact CG2-CG1 3.52Å; I51-M68 CarbonylContact C-O 3.51Å; I51-M68 WeakPolarHBondContact CA-O 3.49Å; I51-F108 HydrophobicContact CG2-CD1 4.47Å; I51-F108 WeakPolarHBondContact O-CB 3.41Å; I51-F108 PolarHBondContact O-N 2.9Å; I51-R109 HydrophobicContact CB-CG 3.91Å; I51-R109 HydrophobicContact CG1-CG 3.97Å; I51-R109 VanDerWaalsContact CG1-CZ 3.47Å; I51-R109 PolarHBondContact N-O 2.66Å; I51-R109 PolarHBondContact O-N 3.01Å; I51-D127 HydrophobicContact CG2-CB 4.44Å |
| 52 | Y | 98.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.6 | -178.8 | -70.8 | -98.5 | 0 | 0 | 0 | 110.5 | L10 F11 T47 K48 V67 M68 I70 A104 K106 Y107 | L10-Y52 HydrophobicContact CD1-CD1 3.81Å; L10-Y52 HydrophobicContact CD1-CE1 3.66Å; F11-Y52 HydrophobicContact CE1-CD1 4.24Å; F11-Y52 AromaticContact CE1-CE1 3.98Å; F11-Y52 HydrophobicContact CE1-CE1 3.98Å; T47-Y52 WeakPolarHBondContact CG2-OH 2.92Å; K48-Y52 WeakPolarHBondContact O-CE2 3.4Å; K48-Y52 PolarHBondContact O-OH 3.13Å; Y52-V67 CarbonylContact O-C 3.59Å; Y52-V67 WeakPolarHBondContact O-CA 3.39Å; Y52-M68 HydrophobicContact CG-CE 4.09Å; Y52-M68 PolarHBondContact N-O 2.98Å; Y52-M68 PolarHBondContact O-N 3.42Å; Y52-I70 HydrophobicContact CD2-CD1 3.85Å; Y52-I70 HydrophobicContact CD2-CG1 3.89Å; Y52-I70 HydrophobicContact CE2-CB 4.2Å; Y52-I70 HydrophobicContact CE2-CD1 3.51Å; Y52-I70 HydrophobicContact CE2-CG1 3.83Å; Y52-A104 HydrophobicContact CD1-CB 4.18Å; Y52-K106 CarbonylContact C-O 3.52Å; Y52-K106 WeakPolarHBondContact CA-O 3.38Å; Y52-Y107 HydrophobicContact CD2-CD2 4.45Å; Y52-Y107 AromaticContact CE1-CD2 3.92Å; Y52-Y107 HydrophobicContact CE1-CD2 3.92Å; Y52-Y107 HydrophobicContact CE1-CG 4.38Å; Y52-Y107 AromaticContact CE2-CD2 3.82Å; Y52-Y107 HydrophobicContact CE2-CD2 3.82Å; Y52-Y107 HydrophobicContact CE2-CE2 4.39Å; Y52-Y107 AromaticContact CZ-CD2 3.54Å |
| 53 | F | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 151.1 | 170.2 | -56.6 | -21.2 | 0 | 0 | 0 | 110.1 | I51 V67 V105 K106 F108 D127 E130 A131 F134 L135 | I51-F53 HydrophobicContact CG2-CD1 4.5Å; I51-F53 HydrophobicContact CG2-CE1 4.11Å; F53-V67 HydrophobicContact CD1-CG1 4.46Å; F53-V67 HydrophobicContact CD1-CG2 4.13Å; F53-V67 HydrophobicContact CE1-CG1 4.46Å; F53-V67 HydrophobicContact CE1-CG2 4.23Å; F53-V105 WeakPolarHBondContact O-CG2 3.15Å; F53-V105 PolarHBondContact O-N 3.15Å; F53-K106 HydrophobicContact CB-CB 4.41Å; F53-K106 HydrophobicContact CD2-CD 4.11Å; F53-K106 PolarHBondContact N-O 3.4Å; F53-K106 PolarHBondContact O-N 3.24Å; F53-F108 HydrophobicContact CD1-CB 4.07Å; F53-F108 HydrophobicContact CD1-CG 4.45Å; F53-F108 HydrophobicContact CD2-CB 4.15Å; F53-F108 HydrophobicContact CD2-CD2 4.24Å; F53-F108 HydrophobicContact CD2-CG 4.28Å; F53-F108 HydrophobicContact CE1-CB 3.68Å; F53-F108 AromaticContact CE1-CD1 3.64Å; F53-F108 HydrophobicContact CE1-CD1 3.64Å; F53-F108 HydrophobicContact CE1-CD2 4.34Å; F53-F108 HydrophobicContact CE1-CE1 4.39Å; F53-F108 AromaticContact CE1-CG 3.63Å; F53-F108 HydrophobicContact CE1-CG 3.63Å; F53-F108 HydrophobicContact CE2-CB 3.8Å; F53-F108 HydrophobicContact CE2-CD1 4.06Å; F53-F108 AromaticContact CE2-CD2 3.29Å; F53-F108 HydrophobicContact CE2-CD2 3.29Å; F53-F108 AromaticContact CE2-CE2 3.82Å; F53-F108 HydrophobicContact CE2-CE2 3.82Å; F53-F108 AromaticContact CE2-CG 3.44Å; F53-F108 HydrophobicContact CE2-CG 3.44Å; F53-F108 VanDerWaalsContact CE2-CG 3.44Å; F53-F108 HydrophobicContact CE2-CZ 4.41Å; F53-F108 HydrophobicContact CG-CB 4.3Å; F53-F108 HydrophobicContact CZ-CB 3.56Å; F53-F108 AromaticContact CZ-CD1 3.22Å; F53-F108 HydrophobicContact CZ-CD1 3.22Å; F53-F108 AromaticContact CZ-CD2 3.36Å; F53-F108 HydrophobicContact CZ-CD2 3.36Å; F53-F108 AromaticContact CZ-CE1 3.68Å; F53-F108 HydrophobicContact CZ-CE1 3.68Å; F53-F108 AromaticContact CZ-CE2 3.8Å; F53-F108 HydrophobicContact CZ-CE2 3.8Å; F53-F108 AromaticContact CZ-CG 3.06Å; F53-F108 HydrophobicContact CZ-CG 3.06Å; F53-F108 AromaticContact CZ-CZ 3.96Å; F53-F108 HydrophobicContact CZ-CZ 3.96Å; F53-D127 HydrophobicContact CE1-CB 4.46Å; F53-D127 WeakPolarHBondContact CE1-O 3.4Å; F53-D127 WeakPolarHBondContact CZ-O 3.3Å; F53-E130 HydrophobicContact CE2-CB 4.01Å; F53-E130 HydrophobicContact CZ-CB 3.81Å; F53-A131 HydrophobicContact CB-CB 4.41Å; F53-A131 HydrophobicContact CD1-CB 3.59Å; F53-A131 HydrophobicContact CD2-CB 4.05Å; F53-A131 HydrophobicContact CE1-CB 3.71Å; F53-A131 HydrophobicContact CE2-CB 4.12Å; F53-A131 HydrophobicContact CG-CB 3.78Å; F53-A131 HydrophobicContact CZ-CB 3.94Å; F53-F134 HydrophobicContact CD2-CB 4.17Å; F53-F134 HydrophobicContact CD2-CD1 4.15Å; F53-F134 HydrophobicContact CD2-CG 4.3Å; F53-F134 HydrophobicContact CE2-CB 4.48Å; F53-L135 HydrophobicContact CB-CD1 4.49Å; F53-L135 HydrophobicContact CB-CD2 4.45Å |
| 54 | G | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | -139.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K65 M66 I103 L135 | G54-K65 CarbonylContact O-C 3.53Å; G54-M66 PolarHBondContact N-O 3.21Å; G54-M66 VanDerWaalsContact N-O 3.12Å; G54-M66 PolarHBondContact O-N 3.2Å; G54-I103 VanDerWaalsContact CA-O 3.32Å; G54-I103 WeakPolarHBondContact CA-O 3.49Å; G54-L135 VanDerWaalsContact O-CD1 3.23Å; G54-L135 WeakPolarHBondContact O-CD1 3.33Å |
| 55 | W | 98.8 | Very high | 96.7 | Very high | 12 Ų | 12 | 46 Ų | 46 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.2 | -168.5 | -57 | 100.9 | 0 | 0 | 0 | 110.6 | V63 Y64 K65 V102 I103 L135 A140 L141 F149 | W55-V63 HydrophobicContact CB-CG1 3.75Å; W55-V63 HydrophobicContact CD2-CG1 4.49Å; W55-V63 HydrophobicContact CE3-CG1 4.11Å; W55-V63 HydrophobicContact CG-CG1 4.38Å; W55-Y64 CarbonylContact C-O 3.59Å; W55-Y64 VanDerWaalsContact CA-O 3.31Å; W55-Y64 WeakPolarHBondContact CA-O 3.04Å; W55-K65 HydrophobicContact CE3-CG 4.08Å; W55-K65 HydrophobicContact CH2-CG 3.79Å; W55-K65 HydrophobicContact CZ3-CB 4.36Å; W55-K65 HydrophobicContact CZ3-CG 3.42Å; W55-K65 VanDerWaalsContact CZ3-CG 3.42Å; W55-V102 CarbonylContact O-C 3.58Å; W55-V102 VanDerWaalsContact O-CA 3.24Å; W55-V102 WeakPolarHBondContact O-CA 3.29Å; W55-I103 PolarHBondContact N-O 2.87Å; W55-I103 PolarHBondContact O-N 2.89Å; W55-L135 HydrophobicContact CH2-CB 4.08Å; W55-L135 WeakPolarHBondContact CH2-O 3.42Å; W55-L135 HydrophobicContact CZ2-CB 3.9Å; W55-L135 HydrophobicContact CZ2-CD2 4.08Å; W55-L135 VanDerWaalsContact CZ2-O 3.32Å; W55-L135 WeakPolarHBondContact CZ2-O 3.32Å; W55-A140 PolarHBondContact NE1-O 3.29Å; W55-L141 HydrophobicContact CH2-CD2 3.73Å; W55-L141 HydrophobicContact CZ2-CD2 4.1Å; W55-F149 HydrophobicContact CB-CE2 3.88Å; W55-F149 HydrophobicContact CB-CZ 3.64Å |
| 56 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V63 Y64 M66 V85 I87 I100 K101 V102 | A56-V63 WeakPolarHBondContact O-CA 3.45Å; A56-Y64 PolarHBondContact N-O 3.18Å; A56-Y64 PolarHBondContact O-N 3.02Å; A56-M66 HydrophobicContact CB-CB 3.89Å; A56-M66 HydrophobicContact CB-CG 3.85Å; A56-V85 HydrophobicContact CB-CG1 4.28Å; A56-I87 HydrophobicContact CB-CD1 4.14Å; A56-I87 HydrophobicContact CB-CG1 3.89Å; A56-I100 HydrophobicContact CB-CD1 4.3Å; A56-K101 CarbonylContact C-O 3.55Å; A56-K101 VanDerWaalsContact CA-O 3.23Å; A56-K101 WeakPolarHBondContact CA-O 3.32Å; A56-V102 HydrophobicContact CB-CG1 4.03Å |
| 57 | K | 98.2 | Very high | 97.3 | Very high | 39 Ų | 39 | 34.3 Ų | 34.3 | 17% | 0.17 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 128.7 | 173 | -174.7 | 179.1 | 177.3 | -174.8 | 0 | 109.7 | T61 V63 K101 F149 N150 | K57-T61 VanDerWaalsContact CE-O 3.24Å; K57-T61 WeakPolarHBondContact CE-O 3.47Å; K57-V63 HydrophobicContact CB-CG2 4.14Å; K57-V63 HydrophobicContact CD-CG2 3.88Å; K57-V63 HydrophobicContact CG-CG2 4.29Å; K57-K101 PolarHBondContact N-O 3.15Å; K57-K101 PolarHBondContact O-N 3.29Å; K57-F149 HydrophobicContact CB-CD1 3.6Å; K57-F149 HydrophobicContact CB-CE1 3.97Å; K57-F149 HydrophobicContact CB-CG 4.4Å; K57-F149 HydrophobicContact CD-CB 3.86Å; K57-F149 HydrophobicContact CD-CD1 4.2Å; K57-F149 HydrophobicContact CD-CG 4.33Å; K57-F149 WeakPolarHBondContact CD-O 3.48Å; K57-F149 PolarHBondContact NZ-O 3.19Å; K57-N150 PolarHBondContact NZ-OD1 3.2Å; K57-N150 VanDerWaalsContact NZ-OD1 3.07Å |
| 58 | L | 96.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 167.2 | 167.5 | -65.9 | 169.7 | 0 | 0 | 0 | 110.1 | V17 N60 T61 I87 F91 F95 I100 | V17-L58 HydrophobicContact CG2-CD2 4.25Å; L58-N60 PolarHBondContact O-N 3.12Å; L58-T61 WeakPolarHBondContact CA-OG1 3.43Å; L58-T61 HydrophobicContact CB-CG2 3.84Å; L58-T61 WeakPolarHBondContact CB-OG1 3.49Å; L58-T61 PolarHBondContact N-OG1 2.63Å; L58-T61 PolarHBondContact O-N 3.23Å; L58-T61 PolarHBondContact O-OG1 2.62Å; L58-I87 HydrophobicContact CD1-CD1 3.95Å; L58-I87 HydrophobicContact CD2-CD1 4.37Å; L58-I87 HydrophobicContact CG-CD1 3.93Å; L58-F91 HydrophobicContact CD1-CD1 4.39Å; L58-F91 HydrophobicContact CD1-CE1 3.75Å; L58-F91 HydrophobicContact CD1-CE2 4.41Å; L58-F91 HydrophobicContact CD1-CZ 3.76Å; L58-F95 HydrophobicContact CD1-CB 4.12Å; L58-F95 HydrophobicContact CD1-CD1 3.6Å; L58-F95 HydrophobicContact CD1-CD2 3.71Å; L58-F95 HydrophobicContact CD1-CE1 3.87Å; L58-F95 HydrophobicContact CD1-CE2 3.96Å; L58-F95 HydrophobicContact CD1-CG 3.52Å; L58-F95 HydrophobicContact CD1-CZ 4.04Å; L58-F95 HydrophobicContact CD2-CD2 3.47Å; L58-F95 VanDerWaalsContact CD2-CD2 3.47Å; L58-F95 HydrophobicContact CD2-CE2 3.8Å; L58-F95 HydrophobicContact CD2-CG 4.05Å; L58-F95 HydrophobicContact CG-CD2 4.25Å; L58-F95 HydrophobicContact CG-CE2 4.48Å; L58-F95 HydrophobicContact CG-CG 4.44Å; L58-I100 HydrophobicContact CD2-CB 3.94Å; L58-I100 HydrophobicContact CD2-CD1 4.43Å; L58-I100 HydrophobicContact CD2-CG1 4.11Å |
| 59 | S | 93.1 | Very high | 97.4 | Very high | 48 Ų | 48 | 29 Ų | 29 | 34% | 0.336 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 133.1 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | T61 D98 | S59-T61 PolarHBondContact O-N 2.93Å; S59-T61 VanDerWaalsContact O-N 3.09Å; S59-D98 WeakPolarHBondContact CB-OD1 3.35Å; S59-D98 PolarHBondContact N-OD2 3.01Å; S59-D98 VanDerWaalsContact N-OD2 3.14Å; S59-D98 PolarHBondContact OG-OD1 3.23Å |
| 60 | N | 90.3 | Very high | 97.4 | Very high | 171 Ų | 171 | 27.6 Ų | 27.6 | 91% | 0.914 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 18.5 | 177.9 | -49.3 | -49.6 | 0 | 0 | 0 | 115.4 | L58 | L58-N60 PolarHBondContact O-N 3.12Š|
| 61 | T | 95.5 | Very high | 97.2 | Very high | 31 Ų | 31 | 27.7 Ų | 27.7 | 19% | 0.19 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -107.8 | 159 | 173.8 | 66.5 | 0 | 0 | 0 | 0 | 112 | K57 L58 S59 F91 | K57-T61 VanDerWaalsContact CE-O 3.24Å; K57-T61 WeakPolarHBondContact CE-O 3.47Å; L58-T61 WeakPolarHBondContact CA-OG1 3.43Å; L58-T61 HydrophobicContact CB-CG2 3.84Å; L58-T61 WeakPolarHBondContact CB-OG1 3.49Å; L58-T61 PolarHBondContact N-OG1 2.63Å; L58-T61 PolarHBondContact O-N 3.23Å; L58-T61 PolarHBondContact O-OG1 2.62Å; S59-T61 PolarHBondContact O-N 2.93Å; S59-T61 VanDerWaalsContact O-N 3.09Å; T61-F91 HydrophobicContact CG2-CE1 4.44Å |
| 62 | P | 97.3 | Very high | 96.9 | Very high | 81 Ų | 81 | 32.3 Ų | 32.3 | 53% | 0.526 | 17% | 0.171 | S | C | . | . | trans | -57.4 | 166.1 | 160.7 | -22.6 | 33.7 | 0 | 0 | 0 | 112.6 | Y64 | P62-Y64 HydrophobicContact CB-CE1 4.37Å; P62-Y64 WeakPolarHBondContact CD-OH 3.47Å; P62-Y64 WeakPolarHBondContact O-CD2 3.29Å; P62-Y64 WeakPolarHBondContact O-CE2 3.39Å | ||
| 63 | V | 98.4 | Very high | 96 | Very high | 38 Ų | 38 | 33 Ų | 33 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | trans | -79.9 | 129.6 | 168.3 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | W55 A56 K57 S144 F149 | W55-V63 HydrophobicContact CB-CG1 3.75Å; W55-V63 HydrophobicContact CD2-CG1 4.49Å; W55-V63 HydrophobicContact CE3-CG1 4.11Å; W55-V63 HydrophobicContact CG-CG1 4.38Å; A56-V63 WeakPolarHBondContact O-CA 3.45Å; K57-V63 HydrophobicContact CB-CG2 4.14Å; K57-V63 HydrophobicContact CD-CG2 3.88Å; K57-V63 HydrophobicContact CG-CG2 4.29Å; V63-S144 WeakPolarHBondContact CG2-O 3.37Å; V63-F149 HydrophobicContact CG1-CD2 4.17Å; V63-F149 HydrophobicContact CG1-CE2 3.8Å; V63-F149 HydrophobicContact CG1-CZ 4.03Å; V63-F149 HydrophobicContact CG2-CB 4.12Å; V63-F149 HydrophobicContact CG2-CD1 4.33Å; V63-F149 HydrophobicContact CG2-CD2 3.8Å; V63-F149 HydrophobicContact CG2-CE2 4.27Å; V63-F149 HydrophobicContact CG2-CG 3.84Å | ||
| 64 | Y | 98.6 | Very high | 95.1 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 156.4 | 179.4 | -61.1 | -72.1 | 0 | 0 | 0 | 111.2 | W55 A56 P62 I87 H89 F91 | W55-Y64 CarbonylContact C-O 3.59Å; W55-Y64 VanDerWaalsContact CA-O 3.31Å; W55-Y64 WeakPolarHBondContact CA-O 3.04Å; A56-Y64 PolarHBondContact N-O 3.18Å; A56-Y64 PolarHBondContact O-N 3.02Å; P62-Y64 HydrophobicContact CB-CE1 4.37Å; P62-Y64 WeakPolarHBondContact CD-OH 3.47Å; P62-Y64 WeakPolarHBondContact O-CD2 3.29Å; P62-Y64 WeakPolarHBondContact O-CE2 3.39Å; Y64-I87 HydrophobicContact CD2-CG2 4.03Å; Y64-I87 HydrophobicContact CG-CG2 4.02Å; Y64-H89 HydrophobicContact CD1-CB 3.74Å; Y64-H89 AromaticContact CD1-CG 3.81Å; Y64-H89 HydrophobicContact CD2-CB 4.4Å; Y64-H89 HydrophobicContact CE1-CB 3.97Å; Y64-H89 AromaticContact CE1-CD2 3.79Å; Y64-H89 AromaticContact CE1-CE1 3.84Å; Y64-H89 AromaticContact CE1-CG 3.49Å; Y64-H89 VanDerWaalsContact CE1-CG 3.49Å; Y64-H89 AromaticContact CE1-ND1 3.54Å; Y64-H89 AromaticContact CE1-NE2 3.97Å; Y64-H89 HydrophobicContact CG-CB 3.96Å; Y64-H89 AromaticContact CZ-CD2 3.58Å; Y64-H89 AromaticContact CZ-CG 3.78Å; Y64-H89 AromaticContact CZ-NE2 3.79Å; Y64-H89 PolarHBondContact OH-NE2 3.31Å; Y64-F91 HydrophobicContact CD2-CZ 4.04Å; Y64-F91 HydrophobicContact CE2-CE1 4.05Å; Y64-F91 AromaticContact CE2-CZ 3.85Å; Y64-F91 HydrophobicContact CE2-CZ 3.85Å |
| 65 | K | 98.8 | Very high | 93.9 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 150.2 | 166.6 | -65.2 | 179.8 | -176.8 | 177.7 | 0 | 109.9 | G54 W55 L88 N132 L135 D136 | G54-K65 CarbonylContact O-C 3.53Å; W55-K65 HydrophobicContact CE3-CG 4.08Å; W55-K65 HydrophobicContact CH2-CG 3.79Å; W55-K65 HydrophobicContact CZ3-CB 4.36Å; W55-K65 HydrophobicContact CZ3-CG 3.42Å; W55-K65 VanDerWaalsContact CZ3-CG 3.42Å; K65-L88 HydrophobicContact CB-CB 4.12Å; K65-L88 HydrophobicContact CB-CD1 3.87Å; K65-L88 HydrophobicContact CB-CG 4.18Å; K65-L88 WeakPolarHBondContact O-CB 3.35Å; K65-L88 PolarHBondContact O-N 3.45Å; K65-N132 WeakPolarHBondContact CD-OD1 3.14Å; K65-N132 PolarHBondContact NZ-O 3.49Å; K65-L135 HydrophobicContact CB-CD1 3.68Å; K65-L135 HydrophobicContact CD-CB 3.85Å; K65-L135 HydrophobicContact CD-CD1 4.12Å; K65-L135 HydrophobicContact CG-CB 3.96Å; K65-L135 HydrophobicContact CG-CD1 3.78Å; K65-D136 VanDerWaalsContact CE-OD1 3.27Å; K65-D136 WeakPolarHBondContact CE-OD1 3.38Å; K65-D136 IonicContact NZ-OD1 2.9Å; K65-D136 PolarHBondContact NZ-OD1 3.36Å; K65-D136 IonicContact NZ-OD2 2.63Å; K65-D136 PolarHBondContact NZ-OD2 2.92Å |
| 66 | M | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 155.5 | 174.9 | 66.1 | 79.8 | 174.9 | 0 | 0 | 112.6 | G54 A56 M68 V85 H86 V102 I103 | G54-M66 PolarHBondContact N-O 3.21Å; G54-M66 VanDerWaalsContact N-O 3.12Å; G54-M66 PolarHBondContact O-N 3.2Å; A56-M66 HydrophobicContact CB-CB 3.89Å; A56-M66 HydrophobicContact CB-CG 3.85Å; M66-M68 HydrophobicContact CE-CB 4.31Å; M66-M68 HydrophobicContact CE-CE 4.29Å; M66-M68 HydrophobicContact SD-CB 3.68Å; M66-V85 HydrophobicContact CB-CG1 3.86Å; M66-V85 HydrophobicContact CG-CG1 4.12Å; M66-V85 HydrophobicContact SD-CG1 4.32Å; M66-H86 VanDerWaalsContact CA-O 3.27Å; M66-H86 WeakPolarHBondContact CA-O 3.42Å; M66-H86 WeakPolarHBondContact CB-O 3.46Å; M66-V102 HydrophobicContact CE-CB 4.16Å; M66-I103 WeakPolarHBondContact CE-O 3.23Å |
| 67 | V | 98.5 | Very high | 92.2 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.6 | 160.7 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | I51 Y52 F53 H86 L88 D127 I128 A131 | I51-V67 HydrophobicContact CG2-CG1 3.52Å; Y52-V67 CarbonylContact O-C 3.59Å; Y52-V67 WeakPolarHBondContact O-CA 3.39Å; F53-V67 HydrophobicContact CD1-CG1 4.46Å; F53-V67 HydrophobicContact CD1-CG2 4.13Å; F53-V67 HydrophobicContact CE1-CG1 4.46Å; F53-V67 HydrophobicContact CE1-CG2 4.23Å; V67-H86 PolarHBondContact N-O 3.2Å; V67-H86 PolarHBondContact O-N 3.4Å; V67-L88 HydrophobicContact CG2-CD2 4.25Å; V67-D127 HydrophobicContact CG1-CB 4.44Å; V67-I128 HydrophobicContact CG2-CG1 4.31Å; V67-A131 HydrophobicContact CG2-CB 3.53Å |
| 68 | M | 98.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.9 | -177.7 | 174.6 | 176.6 | 65.5 | 0 | 0 | 110.8 | F11 I51 Y52 M66 I70 V83 E84 V85 V102 A104 | F11-M68 HydrophobicContact CE1-CE 4.46Å; F11-M68 HydrophobicContact CE2-CE 3.81Å; F11-M68 HydrophobicContact CZ-CE 3.4Å; I51-M68 CarbonylContact C-O 3.51Å; I51-M68 WeakPolarHBondContact CA-O 3.49Å; Y52-M68 HydrophobicContact CG-CE 4.09Å; Y52-M68 PolarHBondContact N-O 2.98Å; Y52-M68 PolarHBondContact O-N 3.42Å; M66-M68 HydrophobicContact CE-CB 4.31Å; M66-M68 HydrophobicContact CE-CE 4.29Å; M66-M68 HydrophobicContact SD-CB 3.68Å; M68-I70 HydrophobicContact CE-CD1 4.3Å; M68-I70 HydrophobicContact CE-CG1 4.49Å; M68-V83 HydrophobicContact CG-CG1 3.75Å; M68-V83 HydrophobicContact SD-CG1 3.45Å; M68-V83 WeakPolarHBondContact SD-CG1 3.34Å; M68-E84 CarbonylContact C-O 3.53Å; M68-E84 VanDerWaalsContact CA-O 3.25Å; M68-E84 WeakPolarHBondContact CA-O 3.26Å; M68-V85 HydrophobicContact CB-CG2 4.34Å; M68-V85 HydrophobicContact CG-CG2 3.97Å; M68-V85 HydrophobicContact SD-CG2 3.98Å; M68-V102 HydrophobicContact SD-CG2 4.33Å; M68-A104 HydrophobicContact CE-CB 3.79Å |
| 69 | S | 96.6 | Very high | 90.9 | Very high | 38 Ų | 38 | 63.4 Ų | 63.4 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 136.4 | 170.3 | -172.2 | 0 | 0 | 0 | 0 | 110 | V83 E84 | S69-V83 WeakPolarHBondContact O-CA 3.43Å; S69-E84 PolarHBondContact N-O 3.45Å; S69-E84 PolarHBondContact O-N 3.1Å |
| 70 | I | 96.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.9 | 165.7 | -51 | -177.6 | 0 | 0 | 0 | 107.1 | F11 T47 N49 G50 Y52 M68 S82 V83 | F11-I70 HydrophobicContact CE1-CD1 4.25Å; F11-I70 HydrophobicContact CZ-CD1 3.78Å; T47-I70 HydrophobicContact CG2-CD1 3.98Å; N49-I70 CarbonylContact C-O 3.45Å; N49-I70 WeakPolarHBondContact CA-O 3.31Å; N49-I70 VanDerWaalsContact CB-O 3.26Å; N49-I70 WeakPolarHBondContact CB-O 3.44Å; G50-I70 PolarHBondContact N-O 2.98Å; G50-I70 PolarHBondContact O-N 3.29Å; Y52-I70 HydrophobicContact CD2-CD1 3.85Å; Y52-I70 HydrophobicContact CD2-CG1 3.89Å; Y52-I70 HydrophobicContact CE2-CB 4.2Å; Y52-I70 HydrophobicContact CE2-CD1 3.51Å; Y52-I70 HydrophobicContact CE2-CG1 3.83Å; M68-I70 HydrophobicContact CE-CD1 4.3Å; M68-I70 HydrophobicContact CE-CG1 4.49Å; I70-S82 WeakPolarHBondContact CA-O 3.38Å; I70-V83 HydrophobicContact CG1-CG2 4.16Å; I70-V83 HydrophobicContact CG2-CG2 4.31Å |
| 71 | G | 94.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 161 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R81 S82 E111 | G71-R81 CarbonylContact O-C 3.5Å; G71-R81 VanDerWaalsContact O-CA 3.26Å; G71-R81 WeakPolarHBondContact O-CA 3.48Å; G71-S82 PolarHBondContact N-O 3.11Å; G71-S82 VanDerWaalsContact N-O 3.11Å; G71-S82 PolarHBondContact O-N 2.88Å; G71-S82 PolarHBondContact O-OG 2.85Å; G71-E111 VanDerWaalsContact CA-OE1 3.28Å; G71-E111 WeakPolarHBondContact CA-OE1 3.28Å |
| 72 | W | 90.7 | Very high | 90.7 | Very high | 114 Ų | 114 | 57.3 Ų | 57.3 | 43% | 0.432 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 137.9 | 174.2 | -69 | 111.2 | 0 | 0 | 0 | 110.8 | N49 P74 N78 R81 | N49-W72 PolarHBondContact ND2-NE1 3.02Å; N49-W72 VanDerWaalsContact ND2-NE1 3.2Å; W72-P74 VanDerWaalsContact O-CD 3.3Å; W72-P74 WeakPolarHBondContact O-CD 3.31Å; W72-N78 HydrophobicContact CB-CB 4Å; W72-N78 HydrophobicContact CG-CB 4.47Å; W72-R81 HydrophobicContact CD2-CG 3.87Å; W72-R81 HydrophobicContact CE3-CG 3.59Å; W72-R81 HydrophobicContact CH2-CG 3.9Å; W72-R81 HydrophobicContact CZ2-CG 4.15Å; W72-R81 HydrophobicContact CZ3-CG 3.62Å |
| 73 | N | 81.3 | Confident | 90.7 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | trans | -91.9 | 113.2 | -179.7 | -171.5 | -29.3 | 0 | 0 | 0 | 111.4 | F21 Y75 F76 N78 K80 | F21-N73 WeakPolarHBondContact CE2-ND2 3.43Å; N73-Y75 PolarHBondContact O-N 2.91Å; N73-Y75 WeakPolarHBondContact OD1-CB 3.49Å; N73-Y75 PolarHBondContact OD1-N 3.28Å; N73-F76 HydrophobicContact CB-CD2 4.02Å; N73-F76 WeakPolarHBondContact ND2-CD2 3.23Å; N73-F76 PolarHBondContact O-N 2.85Å; N73-F76 VanDerWaalsContact O-N 3.15Å; N73-N78 VanDerWaalsContact C-OD1 3.28Å; N73-N78 WeakPolarHBondContact O-CA 3.34Å; N73-N78 PolarHBondContact O-N 2.83Å; N73-N78 PolarHBondContact O-OD1 2.95Å; N73-K80 WeakPolarHBondContact CB-O 3.27Å; N73-K80 PolarHBondContact N-O 3.37Å | ||
| 74 | P | 79.5 | Confident | 90.5 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 65% | 0.649 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -64 | -28 | -179.3 | -22.6 | 35.3 | 0 | 0 | 0 | 113.5 | W72 F76 K77 N78 | W72-P74 VanDerWaalsContact O-CD 3.3Å; W72-P74 WeakPolarHBondContact O-CD 3.31Å; P74-F76 VanDerWaalsContact C-N 3.27Å; P74-F76 PolarHBondContact O-N 2.84Å; P74-K77 PolarHBondContact O-N 2.83Å; P74-N78 VanDerWaalsContact CA-OD1 3.25Å; P74-N78 WeakPolarHBondContact CA-OD1 3.24Å |
| 75 | Y | 72.4 | Confident | 90.5 | Very high | 140 Ų | 140 | 52.8 Ų | 52.8 | 55% | 0.549 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -63.1 | -36.7 | 177.7 | -178.5 | -93.8 | 0 | 0 | 0 | 111.7 | F21 N73 K77 | F21-Y75 HydrophobicContact CD1-CD1 4.03Å; F21-Y75 HydrophobicContact CD1-CD2 4.09Å; F21-Y75 HydrophobicContact CD1-CE1 4.26Å; F21-Y75 HydrophobicContact CD1-CE2 4.32Å; F21-Y75 AromaticContact CD1-CG 3.93Å; F21-Y75 HydrophobicContact CD1-CG 3.93Å; F21-Y75 AromaticContact CE1-CD1 3.21Å; F21-Y75 HydrophobicContact CE1-CD1 3.21Å; F21-Y75 HydrophobicContact CE1-CD2 4.06Å; F21-Y75 AromaticContact CE1-CE1 3.34Å; F21-Y75 HydrophobicContact CE1-CE1 3.34Å; F21-Y75 HydrophobicContact CE1-CE2 4.16Å; F21-Y75 AromaticContact CE1-CG 3.6Å; F21-Y75 HydrophobicContact CE1-CG 3.6Å; F21-Y75 AromaticContact CE1-CZ 3.82Å; F21-Y75 HydrophobicContact CE2-CD1 4.25Å; F21-Y75 AromaticContact CZ-CD1 3.36Å; F21-Y75 HydrophobicContact CZ-CD1 3.36Å; F21-Y75 AromaticContact CZ-CE1 3.81Å; F21-Y75 HydrophobicContact CZ-CE1 3.81Å; F21-Y75 AromaticContact CZ-CG 3.92Å; F21-Y75 HydrophobicContact CZ-CG 3.92Å; N73-Y75 PolarHBondContact O-N 2.91Å; N73-Y75 WeakPolarHBondContact OD1-CB 3.49Å; N73-Y75 PolarHBondContact OD1-N 3.28Å; Y75-K77 PolarHBondContact O-N 2.82Å |
| 76 | F | 78.9 | Confident | 90.4 | Very high | 66 Ų | 66 | 52.7 Ų | 52.7 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -89.6 | 27.5 | 173.8 | -64.7 | -69.8 | 0 | 0 | 0 | 112.4 | F21 N73 P74 N78 I79 K80 | F21-F76 HydrophobicContact CE2-CD2 4.4Å; F21-F76 AromaticContact CE2-CE2 3.71Å; F21-F76 HydrophobicContact CE2-CE2 3.71Å; F21-F76 HydrophobicContact CE2-CZ 4.37Å; F21-F76 HydrophobicContact CZ-CD2 4.29Å; F21-F76 AromaticContact CZ-CE2 3.44Å; F21-F76 HydrophobicContact CZ-CE2 3.44Å; F21-F76 VanDerWaalsContact CZ-CE2 3.44Å; F21-F76 AromaticContact CZ-CZ 3.66Å; F21-F76 HydrophobicContact CZ-CZ 3.66Å; N73-F76 HydrophobicContact CB-CD2 4.02Å; N73-F76 WeakPolarHBondContact ND2-CD2 3.23Å; N73-F76 PolarHBondContact O-N 2.85Å; N73-F76 VanDerWaalsContact O-N 3.15Å; P74-F76 VanDerWaalsContact C-N 3.27Å; P74-F76 PolarHBondContact O-N 2.84Å; F76-N78 PolarHBondContact O-N 2.93Å; F76-N78 VanDerWaalsContact O-N 3.13Å; F76-I79 WeakPolarHBondContact O-CB 3.44Å; F76-I79 WeakPolarHBondContact O-CG1 3.25Å; F76-I79 PolarHBondContact O-N 2.75Å; F76-K80 HydrophobicContact CB-CB 4.1Å; F76-K80 HydrophobicContact CB-CD 4.32Å; F76-K80 HydrophobicContact CB-CG 4.24Å; F76-K80 HydrophobicContact CD1-CD 4.11Å; F76-K80 HydrophobicContact CD2-CB 4.26Å; F76-K80 HydrophobicContact CD2-CD 4.18Å; F76-K80 HydrophobicContact CE1-CD 4.45Å; F76-K80 HydrophobicContact CE2-CD 4.5Å; F76-K80 HydrophobicContact CG-CB 4.33Å; F76-K80 HydrophobicContact CG-CD 3.96Å; F76-K80 HydrophobicContact CG-CG 4.4Å |
| 77 | K | 83.8 | Confident | 90.3 | Very high | 174 Ų | 174 | 53 Ų | 53 | 76% | 0.757 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 33.1 | -178.3 | -54.6 | 179.2 | 179.4 | 179.9 | 0 | 112.9 | P74 Y75 I79 | P74-K77 PolarHBondContact O-N 2.83Å; Y75-K77 PolarHBondContact O-N 2.82Å; K77-I79 HydrophobicContact CB-CD1 4.19Å; K77-I79 HydrophobicContact CB-CG1 4.36Å; K77-I79 PolarHBondContact O-N 2.81Å |
| 78 | N | 83 | Confident | 90.3 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 25.2 | -175.7 | -61.7 | -29.8 | 0 | 0 | 0 | 114.6 | W72 N73 P74 F76 | W72-N78 HydrophobicContact CB-CB 4Å; W72-N78 HydrophobicContact CG-CB 4.47Å; N73-N78 VanDerWaalsContact C-OD1 3.28Å; N73-N78 WeakPolarHBondContact O-CA 3.34Å; N73-N78 PolarHBondContact O-N 2.83Å; N73-N78 PolarHBondContact O-OD1 2.95Å; P74-N78 VanDerWaalsContact CA-OD1 3.25Å; P74-N78 WeakPolarHBondContact CA-OD1 3.24Å; F76-N78 PolarHBondContact O-N 2.93Å; F76-N78 VanDerWaalsContact O-N 3.13Å |
| 79 | I | 84.5 | Confident | 90.2 | Very high | 130 Ų | 130 | 58.1 Ų | 58.1 | 67% | 0.667 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -85.5 | -24.2 | 175.7 | -61 | 168.7 | 0 | 0 | 0 | 110.9 | F76 K77 | F76-I79 WeakPolarHBondContact O-CB 3.44Å; F76-I79 WeakPolarHBondContact O-CG1 3.25Å; F76-I79 PolarHBondContact O-N 2.75Å; K77-I79 HydrophobicContact CB-CD1 4.19Å; K77-I79 HydrophobicContact CB-CG1 4.36Å; K77-I79 PolarHBondContact O-N 2.81Å |
| 80 | K | 88 | Confident | 90.1 | Very high | 72 Ų | 72 | 66.1 Ų | 66.1 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -120.9 | 137.4 | -178.1 | -62.2 | -177.1 | 177.5 | -174.3 | 0 | 110.1 | E37 N73 F76 | E37-K80 HydrophobicContact CG-CD 4.47Å; E37-K80 VanDerWaalsContact OE1-CD 3.29Å; E37-K80 WeakPolarHBondContact OE1-CD 3.45Å; E37-K80 WeakPolarHBondContact OE1-CE 3.25Å; E37-K80 IonicContact OE1-NZ 2.93Å; E37-K80 PolarHBondContact OE1-NZ 2.86Å; E37-K80 IonicContact OE2-NZ 2.77Å; E37-K80 PolarHBondContact OE2-NZ 2.83Å; N73-K80 WeakPolarHBondContact CB-O 3.27Å; N73-K80 PolarHBondContact N-O 3.37Å; F76-K80 HydrophobicContact CB-CB 4.1Å; F76-K80 HydrophobicContact CB-CD 4.32Å; F76-K80 HydrophobicContact CB-CG 4.24Å; F76-K80 HydrophobicContact CD1-CD 4.11Å; F76-K80 HydrophobicContact CD2-CB 4.26Å; F76-K80 HydrophobicContact CD2-CD 4.18Å; F76-K80 HydrophobicContact CE1-CD 4.45Å; F76-K80 HydrophobicContact CE2-CD 4.5Å; F76-K80 HydrophobicContact CG-CB 4.33Å; F76-K80 HydrophobicContact CG-CD 3.96Å; F76-K80 HydrophobicContact CG-CG 4.4Å |
| 81 | R | 93.4 | Very high | 90 | Very high | 25 Ų | 25 | 68.8 Ų | 68.8 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 163.1 | 166.4 | -70.4 | -171.3 | -66.6 | -178.7 | -4.4 | 110.5 | V40 I43 P44 D45 T47 N49 G71 W72 | V40-R81 HydrophobicContact CG1-CB 3.93Å; V40-R81 WeakPolarHBondContact CG1-O 3.3Å; I43-R81 PolarHBondContact O-NH2 3.17Å; P44-R81 VanDerWaalsContact C-NH2 3.31Å; P44-R81 PolarHBondContact O-NH1 3.07Å; P44-R81 PolarHBondContact O-NH2 2.76Å; D45-R81 IonicContact OD1-NH2 2.66Å; T47-R81 PolarHBondContact O-NH1 3.41Å; N49-R81 WeakPolarHBondContact OD1-CD 3.14Å; G71-R81 CarbonylContact O-C 3.5Å; G71-R81 VanDerWaalsContact O-CA 3.26Å; G71-R81 WeakPolarHBondContact O-CA 3.48Å; W72-R81 HydrophobicContact CD2-CG 3.87Å; W72-R81 HydrophobicContact CE3-CG 3.59Å; W72-R81 HydrophobicContact CH2-CG 3.9Å; W72-R81 HydrophobicContact CZ2-CG 4.15Å; W72-R81 HydrophobicContact CZ3-CG 3.62Å |
| 82 | S | 93.9 | Very high | 89.8 | Confident | 24 Ų | 24 | 76.6 Ų | 76.6 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.9 | 171.4 | 52.6 | 0 | 0 | 0 | 0 | 109 | I70 G71 | I70-S82 WeakPolarHBondContact CA-O 3.38Å; G71-S82 PolarHBondContact N-O 3.11Å; G71-S82 VanDerWaalsContact N-O 3.11Å; G71-S82 PolarHBondContact O-N 2.88Å; G71-S82 PolarHBondContact O-OG 2.85Å |
| 83 | V | 96.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.6 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | N34 L35 V40 I43 M68 S69 I70 V85 | N34-V83 WeakPolarHBondContact CA-O 3.34Å; L35-V83 HydrophobicContact CB-CB 4.02Å; L35-V83 HydrophobicContact CB-CG1 4.24Å; L35-V83 HydrophobicContact CD2-CB 4.45Å; L35-V83 HydrophobicContact CD2-CG1 4.34Å; L35-V83 PolarHBondContact N-O 2.72Å; V40-V83 HydrophobicContact CB-CG2 4.46Å; V40-V83 HydrophobicContact CG1-CG2 4.08Å; V40-V83 HydrophobicContact CG2-CB 3.96Å; V40-V83 HydrophobicContact CG2-CG2 3.8Å; I43-V83 HydrophobicContact CD1-CG2 3.48Å; I43-V83 VanDerWaalsContact CD1-CG2 3.48Å; M68-V83 HydrophobicContact CG-CG1 3.75Å; M68-V83 HydrophobicContact SD-CG1 3.45Å; M68-V83 WeakPolarHBondContact SD-CG1 3.34Å; S69-V83 WeakPolarHBondContact O-CA 3.43Å; I70-V83 HydrophobicContact CG1-CG2 4.16Å; I70-V83 HydrophobicContact CG2-CG2 4.31Å; V83-V85 HydrophobicContact CG1-CG2 4.36Å |
| 84 | E | 95.6 | Very high | 90.3 | Very high | 65 Ų | 65 | 84.3 Ų | 84.3 | 30% | 0.304 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120.5 | -178.6 | -68.7 | -165.5 | -133.5 | 0 | 0 | 110.1 | T32 A33 M68 S69 | T32-E84 WeakPolarHBondContact CB-OE2 3.43Å; T32-E84 HydrophobicContact CG2-CB 4.41Å; T32-E84 PolarHBondContact OG1-OE2 2.98Å; A33-E84 WeakPolarHBondContact O-CA 3.48Å; M68-E84 CarbonylContact C-O 3.53Å; M68-E84 VanDerWaalsContact CA-O 3.25Å; M68-E84 WeakPolarHBondContact CA-O 3.26Å; S69-E84 PolarHBondContact N-O 3.45Å; S69-E84 PolarHBondContact O-N 3.1Å |
| 85 | V | 97.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 81.8 Ų | 81.8 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.9 | -177.1 | -176 | 0 | 0 | 0 | 0 | 109.6 | T32 A33 A56 M66 M68 V83 I87 I100 V102 | T32-V85 WeakPolarHBondContact CA-O 3.41Å; A33-V85 HydrophobicContact CB-CB 4.38Å; A33-V85 PolarHBondContact N-O 2.78Å; A33-V85 PolarHBondContact O-N 3.15Å; A56-V85 HydrophobicContact CB-CG1 4.28Å; M66-V85 HydrophobicContact CB-CG1 3.86Å; M66-V85 HydrophobicContact CG-CG1 4.12Å; M66-V85 HydrophobicContact SD-CG1 4.32Å; M68-V85 HydrophobicContact CB-CG2 4.34Å; M68-V85 HydrophobicContact CG-CG2 3.97Å; M68-V85 HydrophobicContact SD-CG2 3.98Å; V83-V85 HydrophobicContact CG1-CG2 4.36Å; V85-I87 HydrophobicContact CG1-CG1 4.15Å; V85-I100 HydrophobicContact CB-CD1 4.07Å; V85-I100 HydrophobicContact CG1-CD1 3.94Å; V85-I100 HydrophobicContact CG2-CD1 4.36Å; V85-V102 HydrophobicContact CG1-CG1 4.14Å; V85-V102 HydrophobicContact CG2-CG1 3.97Å |
| 86 | H | 96.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 79.9 Ų | 79.9 | 15% | 0.148 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 104.9 | 165.6 | -174.5 | 55 | 0 | 0 | 0 | 109.1 | P31 T32 M66 V67 L88 | P31-H86 PolarHBondContact O-ND1 2.99Å; T32-H86 HydrophobicContact CG2-CB 4.31Å; M66-H86 VanDerWaalsContact CA-O 3.27Å; M66-H86 WeakPolarHBondContact CA-O 3.42Å; M66-H86 WeakPolarHBondContact CB-O 3.46Å; V67-H86 PolarHBondContact N-O 3.2Å; V67-H86 PolarHBondContact O-N 3.4Å; H86-L88 VanDerWaalsContact CD2-CD2 3.44Å; H86-L88 WeakPolarHBondContact CD2-CD2 3.22Å |
| 87 | I | 98 | Very high | 93 | Very high | 7 Ų | 7 | 78.9 Ų | 78.9 | 4% | 0.036 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128 | 173.1 | -54.6 | 179.7 | 0 | 0 | 0 | 108 | A56 L58 Y64 V85 H89 F91 F95 I100 | A56-I87 HydrophobicContact CB-CD1 4.14Å; A56-I87 HydrophobicContact CB-CG1 3.89Å; L58-I87 HydrophobicContact CD1-CD1 3.95Å; L58-I87 HydrophobicContact CD2-CD1 4.37Å; L58-I87 HydrophobicContact CG-CD1 3.93Å; Y64-I87 HydrophobicContact CD2-CG2 4.03Å; Y64-I87 HydrophobicContact CG-CG2 4.02Å; V85-I87 HydrophobicContact CG1-CG1 4.15Å; I87-H89 HydrophobicContact CG2-CB 4.1Å; I87-H89 PolarHBondContact O-N 3.28Å; I87-F91 HydrophobicContact CB-CE2 3.94Å; I87-F91 HydrophobicContact CD1-CE2 4.14Å; I87-F91 HydrophobicContact CD1-CZ 4.18Å; I87-F91 HydrophobicContact CG2-CE2 3.77Å; I87-F91 HydrophobicContact CG2-CZ 3.98Å; I87-F95 HydrophobicContact CD1-CZ 4.22Å; I87-I100 HydrophobicContact CD1-CD1 3.95Å; I87-I100 HydrophobicContact CG1-CD1 4.35Å |
| 88 | L | 97.6 | Very high | 93.6 | Very high | 37 Ų | 37 | 72.4 Ų | 72.4 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -80.5 | 54.5 | -178.2 | -52.3 | -172 | 0 | 0 | 0 | 111.1 | K65 V67 H86 I128 A131 | K65-L88 HydrophobicContact CB-CB 4.12Å; K65-L88 HydrophobicContact CB-CD1 3.87Å; K65-L88 HydrophobicContact CB-CG 4.18Å; K65-L88 WeakPolarHBondContact O-CB 3.35Å; K65-L88 PolarHBondContact O-N 3.45Å; V67-L88 HydrophobicContact CG2-CD2 4.25Å; H86-L88 VanDerWaalsContact CD2-CD2 3.44Å; H86-L88 WeakPolarHBondContact CD2-CD2 3.22Å; L88-I128 HydrophobicContact CD1-CG2 4.37Å; L88-I128 HydrophobicContact CD2-CB 4.48Å; L88-I128 HydrophobicContact CD2-CG1 3.96Å; L88-I128 HydrophobicContact CD2-CG2 4.01Å; L88-A131 HydrophobicContact CD1-CB 4.25Å |
| 89 | H | 96.6 | Very high | 94.2 | Very high | 84 Ų | 84 | 69 Ų | 69 | 39% | 0.389 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -149.3 | 143.1 | 178.2 | -175.1 | 67.7 | 0 | 0 | 0 | 109.1 | Y64 I87 F91 | Y64-H89 HydrophobicContact CD1-CB 3.74Å; Y64-H89 AromaticContact CD1-CG 3.81Å; Y64-H89 HydrophobicContact CD2-CB 4.4Å; Y64-H89 HydrophobicContact CE1-CB 3.97Å; Y64-H89 AromaticContact CE1-CD2 3.79Å; Y64-H89 AromaticContact CE1-CE1 3.84Å; Y64-H89 AromaticContact CE1-CG 3.49Å; Y64-H89 VanDerWaalsContact CE1-CG 3.49Å; Y64-H89 AromaticContact CE1-ND1 3.54Å; Y64-H89 AromaticContact CE1-NE2 3.97Å; Y64-H89 HydrophobicContact CG-CB 3.96Å; Y64-H89 AromaticContact CZ-CD2 3.58Å; Y64-H89 AromaticContact CZ-CG 3.78Å; Y64-H89 AromaticContact CZ-NE2 3.79Å; Y64-H89 PolarHBondContact OH-NE2 3.31Å; I87-H89 HydrophobicContact CG2-CB 4.1Å; I87-H89 PolarHBondContact O-N 3.28Å; H89-F91 HydrophobicContact CB-CE2 3.96Å; H89-F91 HydrophobicContact CB-CZ 4.16Å; H89-F91 AromaticContact CD2-CD1 3.94Å; H89-F91 AromaticContact CD2-CE1 3.67Å; H89-F91 AromaticContact CD2-CE2 3.92Å; H89-F91 AromaticContact CD2-CZ 3.66Å; H89-F91 WeakPolarHBondContact O-CD2 3.43Å |
| 90 | R | 94 | Very high | 94.9 | Very high | 205 Ų | 205 | 62.9 Ų | 62.9 | 77% | 0.774 | 30% | 0.3 | S | S | * | . | trans | -87.3 | 119.2 | 175.7 | -177.3 | 175.9 | 178.8 | 138.8 | 0.9 | 109.1 | ||||
| 91 | F | 93.6 | Very high | 95.3 | Very high | 56 Ų | 56 | 60.4 Ų | 60.4 | 25% | 0.246 | 29% | 0.29 | C | S | . | . | trans | -100.5 | 144.2 | 172.7 | -61.7 | -88.3 | 0 | 0 | 0 | 109.9 | L58 T61 Y64 I87 H89 F95 | L58-F91 HydrophobicContact CD1-CD1 4.39Å; L58-F91 HydrophobicContact CD1-CE1 3.75Å; L58-F91 HydrophobicContact CD1-CE2 4.41Å; L58-F91 HydrophobicContact CD1-CZ 3.76Å; T61-F91 HydrophobicContact CG2-CE1 4.44Å; Y64-F91 HydrophobicContact CD2-CZ 4.04Å; Y64-F91 HydrophobicContact CE2-CE1 4.05Å; Y64-F91 AromaticContact CE2-CZ 3.85Å; Y64-F91 HydrophobicContact CE2-CZ 3.85Å; I87-F91 HydrophobicContact CB-CE2 3.94Å; I87-F91 HydrophobicContact CD1-CE2 4.14Å; I87-F91 HydrophobicContact CD1-CZ 4.18Å; I87-F91 HydrophobicContact CG2-CE2 3.77Å; I87-F91 HydrophobicContact CG2-CZ 3.98Å; H89-F91 HydrophobicContact CB-CE2 3.96Å; H89-F91 HydrophobicContact CB-CZ 4.16Å; H89-F91 AromaticContact CD2-CD1 3.94Å; H89-F91 AromaticContact CD2-CE1 3.67Å; H89-F91 AromaticContact CD2-CE2 3.92Å; H89-F91 AromaticContact CD2-CZ 3.66Å; H89-F91 WeakPolarHBondContact O-CD2 3.43Å; F91-F95 HydrophobicContact CD2-CD1 4.48Å; F91-F95 AromaticContact CD2-CE1 3.81Å; F91-F95 HydrophobicContact CD2-CE1 3.81Å; F91-F95 HydrophobicContact CE2-CE1 4.18Å; F91-F95 HydrophobicContact CG-CD1 4.3Å; F91-F95 HydrophobicContact CG-CE1 4.07Å | ||
| 92 | E | 90.8 | Very high | 95.6 | Very high | 166 Ų | 166 | 59.2 Ų | 59.2 | 78% | 0.776 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -80.4 | -24.6 | 176 | -61.4 | -56.6 | 147.2 | 0 | 0 | 112.3 | ||
| 93 | E | 90.9 | Very high | 95.8 | Very high | 162 Ų | 162 | 58.1 Ų | 58.1 | 76% | 0.757 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -127 | 154.9 | -177.4 | -63.6 | -177.8 | -170.8 | 0 | 0 | 111.6 | ||
| 94 | N | 92.1 | Very high | 95.9 | Very high | 135 Ų | 135 | 58 Ų | 58 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | trans | -75.8 | 149.3 | 170.9 | -61.2 | -48.8 | 0 | 0 | 0 | 110.2 | Y96 | N94-Y96 HydrophobicContact CB-CD2 3.89Å; N94-Y96 HydrophobicContact CB-CE2 3.97Å | ||
| 95 | F | 95.2 | Very high | 96 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 21% | 0.211 | 27% | 0.266 | C | S | . | . | trans | -122.3 | 35.8 | -175.6 | 48.4 | -96.8 | 0 | 0 | 0 | 112.4 | V17 A33 L58 I87 F91 G97 D98 | V17-F95 HydrophobicContact CB-CD2 4.23Å; V17-F95 HydrophobicContact CG1-CD2 3.98Å; V17-F95 HydrophobicContact CG1-CE2 3.99Å; V17-F95 HydrophobicContact CG2-CD2 3.9Å; V17-F95 HydrophobicContact CG2-CE2 4.01Å; A33-F95 HydrophobicContact CB-CE2 3.65Å; A33-F95 HydrophobicContact CB-CZ 4.13Å; L58-F95 HydrophobicContact CD1-CB 4.12Å; L58-F95 HydrophobicContact CD1-CD1 3.6Å; L58-F95 HydrophobicContact CD1-CD2 3.71Å; L58-F95 HydrophobicContact CD1-CE1 3.87Å; L58-F95 HydrophobicContact CD1-CE2 3.96Å; L58-F95 HydrophobicContact CD1-CG 3.52Å; L58-F95 HydrophobicContact CD1-CZ 4.04Å; L58-F95 HydrophobicContact CD2-CD2 3.47Å; L58-F95 VanDerWaalsContact CD2-CD2 3.47Å; L58-F95 HydrophobicContact CD2-CE2 3.8Å; L58-F95 HydrophobicContact CD2-CG 4.05Å; L58-F95 HydrophobicContact CG-CD2 4.25Å; L58-F95 HydrophobicContact CG-CE2 4.48Å; L58-F95 HydrophobicContact CG-CG 4.44Å; I87-F95 HydrophobicContact CD1-CZ 4.22Å; F91-F95 HydrophobicContact CD2-CD1 4.48Å; F91-F95 AromaticContact CD2-CE1 3.81Å; F91-F95 HydrophobicContact CD2-CE1 3.81Å; F91-F95 HydrophobicContact CE2-CE1 4.18Å; F91-F95 HydrophobicContact CG-CD1 4.3Å; F91-F95 HydrophobicContact CG-CE1 4.07Å; F95-G97 PolarHBondContact O-N 3.46Å; F95-D98 HydrophobicContact CB-CB 4.11Å; F95-D98 WeakPolarHBondContact O-CB 3.45Å; F95-D98 PolarHBondContact O-N 3.06Å; F95-D98 VanDerWaalsContact O-N 3.12Å | ||
| 96 | Y | 95.6 | Very high | 96.1 | Very high | 99 Ų | 99 | 58.4 Ų | 58.4 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 137.5 | 172.8 | -64.4 | -66.9 | 0 | 0 | 0 | 111 | V17 V18 H19 N94 D98 | V17-Y96 HydrophobicContact CG1-CD1 4.12Å; V18-Y96 WeakPolarHBondContact O-CE1 3.43Å; H19-Y96 AromaticContact CD2-CE1 3.94Å; H19-Y96 AromaticContact CD2-CE2 3.97Å; H19-Y96 AromaticContact CD2-CZ 3.83Å; H19-Y96 AromaticContact CE1-CD1 3.99Å; H19-Y96 AromaticContact CE1-CD2 3.83Å; H19-Y96 AromaticContact CE1-CG 3.63Å; H19-Y96 AromaticContact ND1-CD1 4Å; H19-Y96 AromaticContact NE2-CD2 3.54Å; H19-Y96 AromaticContact NE2-CE2 3.67Å; H19-Y96 AromaticContact NE2-CG 3.78Å; N94-Y96 HydrophobicContact CB-CD2 3.89Å; N94-Y96 HydrophobicContact CB-CE2 3.97Å; Y96-D98 PolarHBondContact O-N 2.83Å |
| 97 | G | 96.2 | Very high | 96.1 | Very high | 46 Ų | 46 | 60.3 Ų | 60.3 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -8.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K16 V17 F95 | K16-G97 VanDerWaalsContact CD-O 3.32Å; K16-G97 WeakPolarHBondContact CD-O 3.37Å; K16-G97 WeakPolarHBondContact CE-O 3.42Å; K16-G97 PolarHBondContact NZ-O 3.45Å; V17-G97 PolarHBondContact O-N 3.5Å; F95-G97 PolarHBondContact O-N 3.46Å |
| 98 | D | 96.5 | Very high | 96.1 | Very high | 38 Ų | 38 | 62.4 Ų | 62.4 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | trans | -72.4 | 151.1 | 171.5 | -160.1 | 4.6 | 0 | 0 | 0 | 110.8 | K16 V17 S59 F95 Y96 | K16-D98 WeakPolarHBondContact CA-O 3.24Å; V17-D98 PolarHBondContact N-O 2.68Å; S59-D98 WeakPolarHBondContact CB-OD1 3.35Å; S59-D98 PolarHBondContact N-OD2 3.01Å; S59-D98 VanDerWaalsContact N-OD2 3.14Å; S59-D98 PolarHBondContact OG-OD1 3.23Å; F95-D98 HydrophobicContact CB-CB 4.11Å; F95-D98 WeakPolarHBondContact O-CB 3.45Å; F95-D98 PolarHBondContact O-N 3.06Å; F95-D98 VanDerWaalsContact O-N 3.12Å; Y96-D98 PolarHBondContact O-N 2.83Å | ||
| 99 | T | 96.5 | Very high | 96.2 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 8% | 0.08 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 124.7 | 170.5 | -55.1 | 0 | 0 | 0 | 0 | 108.8 | S14 K16 D153 | S14-T99 WeakPolarHBondContact OG-CG2 3.45Å; K16-T99 PolarHBondContact NZ-OG1 3.32Å; T99-D153 WeakPolarHBondContact CB-OD2 3.37Å; T99-D153 WeakPolarHBondContact CG2-OD2 3.43Å; T99-D153 PolarHBondContact OG1-OD2 3.4Å |
| 100 | I | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.6 | 167.3 | -169.9 | 173.3 | 0 | 0 | 0 | 109.6 | S14 G15 V17 A33 L35 A56 L58 V85 I87 V102 | S14-I100 VanDerWaalsContact CA-O 3.32Å; S14-I100 WeakPolarHBondContact CA-O 3.44Å; G15-I100 PolarHBondContact N-O 3.47Å; G15-I100 VanDerWaalsContact N-O 3.14Å; G15-I100 PolarHBondContact O-N 3.47Å; V17-I100 HydrophobicContact CG2-CB 3.66Å; V17-I100 HydrophobicContact CG2-CG2 3.57Å; A33-I100 HydrophobicContact CB-CD1 4.24Å; L35-I100 HydrophobicContact CD1-CG2 3.65Å; A56-I100 HydrophobicContact CB-CD1 4.3Å; L58-I100 HydrophobicContact CD2-CB 3.94Å; L58-I100 HydrophobicContact CD2-CD1 4.43Å; L58-I100 HydrophobicContact CD2-CG1 4.11Å; V85-I100 HydrophobicContact CB-CD1 4.07Å; V85-I100 HydrophobicContact CG1-CD1 3.94Å; V85-I100 HydrophobicContact CG2-CD1 4.36Å; I87-I100 HydrophobicContact CD1-CD1 3.95Å; I87-I100 HydrophobicContact CG1-CD1 4.35Å; I100-V102 HydrophobicContact CD1-CG1 4.07Å; I100-V102 HydrophobicContact CG1-CG1 4.04Å |
| 101 | K | 98 | Very high | 96.3 | Very high | 20 Ų | 20 | 54.6 Ų | 54.6 | 9% | 0.087 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.5 | 169.9 | -68.4 | 179.7 | -179.1 | 170.8 | 0 | 108.3 | Y12 A56 K57 F149 E151 D153 | Y12-K101 HydrophobicContact CE2-CB 3.95Å; Y12-K101 HydrophobicContact CE2-CD 4.48Å; Y12-K101 HydrophobicContact CE2-CG 4.19Å; A56-K101 CarbonylContact C-O 3.55Å; A56-K101 VanDerWaalsContact CA-O 3.23Å; A56-K101 WeakPolarHBondContact CA-O 3.32Å; K57-K101 PolarHBondContact N-O 3.15Å; K57-K101 PolarHBondContact O-N 3.29Å; K101-F149 HydrophobicContact CB-CD1 3.78Å; K101-F149 HydrophobicContact CB-CE1 3.95Å; K101-E151 PolarHBondContact NZ-O 3.44Å; K101-D153 WeakPolarHBondContact CE-OD1 3.37Å; K101-D153 IonicContact NZ-OD1 3.3Å; K101-D153 PolarHBondContact NZ-OD1 3.4Å |
| 102 | V | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.8 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | Y12 A13 W55 A56 M66 M68 V85 I100 | Y12-V102 CarbonylContact C-O 3.54Å; Y12-V102 VanDerWaalsContact CA-O 3.23Å; Y12-V102 WeakPolarHBondContact CA-O 3.42Å; Y12-V102 WeakPolarHBondContact CD2-O 3.46Å; A13-V102 HydrophobicContact CB-CG2 3.82Å; A13-V102 PolarHBondContact N-O 3.42Å; A13-V102 WeakPolarHBondContact O-CG2 3.23Å; A13-V102 PolarHBondContact O-N 2.97Å; W55-V102 CarbonylContact O-C 3.58Å; W55-V102 VanDerWaalsContact O-CA 3.24Å; W55-V102 WeakPolarHBondContact O-CA 3.29Å; A56-V102 HydrophobicContact CB-CG1 4.03Å; M66-V102 HydrophobicContact CE-CB 4.16Å; M68-V102 HydrophobicContact SD-CG2 4.33Å; V85-V102 HydrophobicContact CG1-CG1 4.14Å; V85-V102 HydrophobicContact CG2-CG1 3.97Å; I100-V102 HydrophobicContact CD1-CG1 4.07Å; I100-V102 HydrophobicContact CG1-CG1 4.04Å |
| 103 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 113.6 | 166.1 | -64.9 | -178.9 | 0 | 0 | 0 | 107.3 | L5 A9 F11 Y12 G54 W55 M66 V105 W143 H146 L148 F149 | L5-I103 HydrophobicContact CD1-CG2 3.92Å; A9-I103 HydrophobicContact CB-CG2 3.88Å; F11-I103 WeakPolarHBondContact O-CA 3.45Å; Y12-I103 HydrophobicContact CD2-CG1 3.87Å; G54-I103 VanDerWaalsContact CA-O 3.32Å; G54-I103 WeakPolarHBondContact CA-O 3.49Å; W55-I103 PolarHBondContact N-O 2.87Å; W55-I103 PolarHBondContact O-N 2.89Å; M66-I103 WeakPolarHBondContact CE-O 3.23Å; I103-V105 HydrophobicContact CG2-CG1 4.07Å; I103-W143 HydrophobicContact CD1-CE3 4.27Å; I103-W143 HydrophobicContact CG2-CB 4.34Å; I103-W143 HydrophobicContact CG2-CD2 4.34Å; I103-W143 HydrophobicContact CG2-CE3 3.91Å; I103-H146 HydrophobicContact CD1-CB 3.73Å; I103-L148 HydrophobicContact CD1-CB 4.37Å; I103-L148 HydrophobicContact CD1-CD1 4.48Å; I103-F149 HydrophobicContact CB-CE2 4.33Å; I103-F149 HydrophobicContact CB-CZ 3.99Å; I103-F149 HydrophobicContact CD1-CD2 4.02Å; I103-F149 HydrophobicContact CD1-CE2 3.51Å; I103-F149 HydrophobicContact CD1-CZ 3.84Å; I103-F149 HydrophobicContact CG1-CE1 4.3Å; I103-F149 HydrophobicContact CG1-CE2 3.89Å; I103-F149 HydrophobicContact CG1-CZ 3.66Å |
| 104 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L10 F11 Y52 M68 | L10-A104 HydrophobicContact CB-CB 4.5Å; L10-A104 WeakPolarHBondContact CB-O 3.47Å; L10-A104 PolarHBondContact N-O 2.98Å; F11-A104 HydrophobicContact CD1-CB 4.03Å; F11-A104 HydrophobicContact CD2-CB 4.23Å; F11-A104 HydrophobicContact CE1-CB 3.66Å; F11-A104 HydrophobicContact CE2-CB 3.88Å; F11-A104 HydrophobicContact CG-CB 4.31Å; F11-A104 HydrophobicContact CZ-CB 3.58Å; F11-A104 PolarHBondContact N-O 3.46Å; F11-A104 PolarHBondContact O-N 3.2Å; Y52-A104 HydrophobicContact CD1-CB 4.18Å; M68-A104 HydrophobicContact CE-CB 3.79Å |
| 105 | V | 98 | Very high | 96.3 | Very high | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -25.3 | -177.5 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | A9 F53 I103 F134 L135 W143 | A9-V105 HydrophobicContact CB-CG1 4.16Å; F53-V105 WeakPolarHBondContact O-CG2 3.15Å; F53-V105 PolarHBondContact O-N 3.15Å; I103-V105 HydrophobicContact CG2-CG1 4.07Å; V105-F134 HydrophobicContact CG2-CE1 3.75Å; V105-L135 HydrophobicContact CG2-CD2 3.72Å; V105-W143 HydrophobicContact CG1-CB 3.73Å; V105-W143 HydrophobicContact CG1-CG 3.74Å |
| 106 | K | 97.9 | Very high | 96.2 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 27% | 0.274 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 133.3 | -176.5 | -179.7 | 178.5 | 179.8 | -172.6 | 0 | 110.9 | Y52 F53 F134 | Y52-K106 CarbonylContact C-O 3.52Å; Y52-K106 WeakPolarHBondContact CA-O 3.38Å; F53-K106 HydrophobicContact CB-CB 4.41Å; F53-K106 HydrophobicContact CD2-CD 4.11Å; F53-K106 PolarHBondContact N-O 3.4Å; F53-K106 PolarHBondContact O-N 3.24Å; K106-F134 HydrophobicContact CB-CD1 4.4Å; K106-F134 HydrophobicContact CB-CE1 3.78Å; K106-F134 HydrophobicContact CB-CZ 3.98Å; K106-F134 HydrophobicContact CD-CD1 4.06Å; K106-F134 HydrophobicContact CD-CD2 3.83Å; K106-F134 HydrophobicContact CD-CE1 3.92Å; K106-F134 HydrophobicContact CD-CE2 3.68Å; K106-F134 HydrophobicContact CD-CG 4.02Å; K106-F134 HydrophobicContact CD-CZ 3.73Å; K106-F134 HydrophobicContact CG-CE1 4.47Å; K106-F134 HydrophobicContact CG-CZ 4.36Å |
| 107 | Y | 98 | Very high | 96 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 112.9 | 159 | 171.9 | -99.3 | 0 | 0 | 0 | 106.9 | K48 Y52 P110 | K48-Y107 HydrophobicContact CB-CD2 4.3Å; K48-Y107 HydrophobicContact CB-CE2 3.8Å; K48-Y107 HydrophobicContact CD-CE1 4.27Å; K48-Y107 HydrophobicContact CD-CE2 4.41Å; Y52-Y107 HydrophobicContact CD2-CD2 4.45Å; Y52-Y107 AromaticContact CE1-CD2 3.92Å; Y52-Y107 HydrophobicContact CE1-CD2 3.92Å; Y52-Y107 HydrophobicContact CE1-CG 4.38Å; Y52-Y107 AromaticContact CE2-CD2 3.82Å; Y52-Y107 HydrophobicContact CE2-CD2 3.82Å; Y52-Y107 HydrophobicContact CE2-CE2 4.39Å; Y52-Y107 AromaticContact CZ-CD2 3.54Å; Y107-P110 WeakPolarHBondContact OH-CA 3.32Å; Y107-P110 WeakPolarHBondContact OH-CB 3.38Å; Y107-P110 VanDerWaalsContact OH-N 3.16Å |
| 108 | F | 98.4 | Very high | 95.8 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 23% | 0.228 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -53 | -172.7 | 178.3 | -121.7 | 0 | 0 | 0 | 112 | I51 F53 D127 E130 | I51-F108 HydrophobicContact CG2-CD1 4.47Å; I51-F108 WeakPolarHBondContact O-CB 3.41Å; I51-F108 PolarHBondContact O-N 2.9Å; F53-F108 HydrophobicContact CD1-CB 4.07Å; F53-F108 HydrophobicContact CD1-CG 4.45Å; F53-F108 HydrophobicContact CD2-CB 4.15Å; F53-F108 HydrophobicContact CD2-CD2 4.24Å; F53-F108 HydrophobicContact CD2-CG 4.28Å; F53-F108 HydrophobicContact CE1-CB 3.68Å; F53-F108 AromaticContact CE1-CD1 3.64Å; F53-F108 HydrophobicContact CE1-CD1 3.64Å; F53-F108 HydrophobicContact CE1-CD2 4.34Å; F53-F108 HydrophobicContact CE1-CE1 4.39Å; F53-F108 AromaticContact CE1-CG 3.63Å; F53-F108 HydrophobicContact CE1-CG 3.63Å; F53-F108 HydrophobicContact CE2-CB 3.8Å; F53-F108 HydrophobicContact CE2-CD1 4.06Å; F53-F108 AromaticContact CE2-CD2 3.29Å; F53-F108 HydrophobicContact CE2-CD2 3.29Å; F53-F108 AromaticContact CE2-CE2 3.82Å; F53-F108 HydrophobicContact CE2-CE2 3.82Å; F53-F108 AromaticContact CE2-CG 3.44Å; F53-F108 HydrophobicContact CE2-CG 3.44Å; F53-F108 VanDerWaalsContact CE2-CG 3.44Å; F53-F108 HydrophobicContact CE2-CZ 4.41Å; F53-F108 HydrophobicContact CG-CB 4.3Å; F53-F108 HydrophobicContact CZ-CB 3.56Å; F53-F108 AromaticContact CZ-CD1 3.22Å; F53-F108 HydrophobicContact CZ-CD1 3.22Å; F53-F108 AromaticContact CZ-CD2 3.36Å; F53-F108 HydrophobicContact CZ-CD2 3.36Å; F53-F108 AromaticContact CZ-CE1 3.68Å; F53-F108 HydrophobicContact CZ-CE1 3.68Å; F53-F108 AromaticContact CZ-CE2 3.8Å; F53-F108 HydrophobicContact CZ-CE2 3.8Å; F53-F108 AromaticContact CZ-CG 3.06Å; F53-F108 HydrophobicContact CZ-CG 3.06Å; F53-F108 AromaticContact CZ-CZ 3.96Å; F53-F108 HydrophobicContact CZ-CZ 3.96Å; F108-D127 WeakPolarHBondContact CE1-OD1 3.27Å; F108-E130 HydrophobicContact CE1-CB 4.29Å; F108-E130 HydrophobicContact CE2-CB 3.96Å; F108-E130 HydrophobicContact CE2-CG 4.24Å; F108-E130 HydrophobicContact CZ-CB 3.68Å; F108-E130 HydrophobicContact CZ-CG 3.7Å |
| 109 | R | 98.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 6% | 0.06 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 158.9 | -177.5 | 66.6 | 173.8 | -175.3 | 80.6 | -3 | 111.4 | G50 I51 Y112 Q123 D127 | G50-R109 CarbonylContact C-O 3.56Å; G50-R109 WeakPolarHBondContact CA-O 3.33Å; I51-R109 HydrophobicContact CB-CG 3.91Å; I51-R109 HydrophobicContact CG1-CG 3.97Å; I51-R109 VanDerWaalsContact CG1-CZ 3.47Å; I51-R109 PolarHBondContact N-O 2.66Å; I51-R109 PolarHBondContact O-N 3.01Å; R109-Y112 VanDerWaalsContact NH1-CD2 3.33Å; R109-Q123 VanDerWaalsContact NH2-CG 3.26Å; R109-D127 IonicContact CZ-OD1 3.75Å; R109-D127 IonicContact CZ-OD2 3.13Å; R109-D127 VanDerWaalsContact CZ-OD2 3.3Å; R109-D127 IonicContact NE-OD1 2.85Å; R109-D127 PolarHBondContact NE-OD1 2.88Å; R109-D127 IonicContact NE-OD2 2.67Å; R109-D127 PolarHBondContact NE-OD2 2.79Å; R109-D127 VanDerWaalsContact NE-OD2 3.13Å; R109-D127 IonicContact NH2-OD1 3.78Å; R109-D127 IonicContact NH2-OD2 3.93Å; R109-D127 PolarHBondContact NH2-OD2 3.4Å |
| 110 | P | 97.8 | Very high | 95.6 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | trans | -68.2 | 170.3 | 170 | 30 | -35.8 | 0 | 0 | 0 | 112.3 | Y107 Y112 | Y107-P110 WeakPolarHBondContact OH-CA 3.32Å; Y107-P110 WeakPolarHBondContact OH-CB 3.38Å; Y107-P110 VanDerWaalsContact OH-N 3.16Å; P110-Y112 HydrophobicContact CG-CD1 4.34Å; P110-Y112 HydrophobicContact CG-CE1 3.67Å | ||
| 111 | E | 94.8 | Very high | 95.4 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 43% | 0.425 | 30% | 0.301 | S | S | . | . | trans | -60.2 | 140.9 | 165.8 | -57.6 | -176.6 | 94.4 | 0 | 0 | 109.7 | N49 G71 | N49-E111 HydrophobicContact CB-CG 4.19Å; N49-E111 WeakPolarHBondContact CB-OE2 3.4Å; N49-E111 PolarHBondContact ND2-OE2 2.99Å; N49-E111 VanDerWaalsContact ND2-OE2 3.1Å; G71-E111 VanDerWaalsContact CA-OE1 3.28Å; G71-E111 WeakPolarHBondContact CA-OE1 3.28Å | ||
| 112 | Y | 93.3 | Very high | 95.3 | Very high | 117 Ų | 117 | 65.6 Ų | 65.6 | 46% | 0.459 | 33% | 0.326 | S | S | . | . | trans | -123.5 | 144.6 | 175.6 | -67.4 | -30.1 | 0 | 0 | 0 | 109.2 | R109 P110 F114 | R109-Y112 VanDerWaalsContact NH1-CD2 3.33Å; P110-Y112 HydrophobicContact CG-CD1 4.34Å; P110-Y112 HydrophobicContact CG-CE1 3.67Å; Y112-F114 HydrophobicContact CD2-CZ 4.44Å; Y112-F114 WeakPolarHBondContact O-CD2 3.45Å; Y112-F114 WeakPolarHBondContact O-CE2 3.47Å | ||
| 113 | D | 91.4 | Very high | 95.2 | Very high | 168 Ų | 168 | 67.6 Ų | 67.6 | 90% | 0.898 | 34% | 0.336 | S | S | * | . | trans | -81 | 138.4 | 165.3 | -64.2 | -47.1 | 0 | 0 | 0 | 109.3 | ||||
| 114 | F | 91.4 | Very high | 95.1 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 26% | 0.263 | 34% | 0.343 | S | S | . | . | trans | -117.3 | 132.2 | 178.2 | -57.9 | -80.5 | 0 | 0 | 0 | 109.7 | Y112 S116 D119 L120 Q123 | Y112-F114 HydrophobicContact CD2-CZ 4.44Å; Y112-F114 WeakPolarHBondContact O-CD2 3.45Å; Y112-F114 WeakPolarHBondContact O-CE2 3.47Å; F114-S116 PolarHBondContact O-N 2.94Å; F114-D119 HydrophobicContact CB-CB 4.24Å; F114-D119 HydrophobicContact CD1-CB 4.2Å; F114-L120 HydrophobicContact CB-CB 4.04Å; F114-L120 HydrophobicContact CD2-CB 3.86Å; F114-L120 HydrophobicContact CD2-CD1 3.51Å; F114-L120 HydrophobicContact CD2-CG 4.25Å; F114-L120 HydrophobicContact CE2-CB 4.49Å; F114-L120 HydrophobicContact CE2-CD1 3.44Å; F114-L120 VanDerWaalsContact CE2-CD1 3.44Å; F114-L120 HydrophobicContact CG-CB 3.87Å; F114-L120 HydrophobicContact CG-CD1 4.33Å; F114-L120 HydrophobicContact CZ-CD1 4.22Å; F114-Q123 HydrophobicContact CD1-CB 4.39Å; F114-Q123 HydrophobicContact CE1-CB 3.41Å; F114-Q123 VanDerWaalsContact CE1-CB 3.41Å; F114-Q123 HydrophobicContact CE1-CG 3.7Å; F114-Q123 HydrophobicContact CZ-CB 3.68Å; F114-Q123 HydrophobicContact CZ-CG 3.63Å | ||
| 115 | P | 93 | Very high | 95 | Very high | 121 Ų | 121 | 74.1 Ų | 74.1 | 79% | 0.786 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -73.8 | -16 | -179.5 | 29 | -31.9 | 0 | 0 | 0 | 112.7 | D119 | P115-D119 WeakPolarHBondContact CG-OD2 3.1Š|
| 116 | S | 93 | Very high | 95.1 | Very high | 38 Ų | 38 | 76.3 Ų | 76.3 | 27% | 0.266 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -144 | 163.6 | 178.4 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | F114 E118 D119 L120 | F114-S116 PolarHBondContact O-N 2.94Å; S116-E118 VanDerWaalsContact C-N 3.28Å; S116-E118 WeakPolarHBondContact CB-OE2 3.44Å; S116-E118 PolarHBondContact OG-N 3.21Å; S116-D119 WeakPolarHBondContact OG-CB 3.47Å; S116-D119 PolarHBondContact OG-N 2.91Å; S116-D119 PolarHBondContact OG-OD2 3.13Å; S116-L120 PolarHBondContact O-N 2.84Å |
| 117 | I | 90.3 | Very high | 95.1 | Very high | 74 Ų | 74 | 73.4 Ų | 73.4 | 38% | 0.379 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 173.6 | -69.6 | 176.1 | 0 | 0 | 0 | 109.9 | L28 L120 I121 | L28-I117 HydrophobicContact CD2-CG2 3.68Å; I117-L120 WeakPolarHBondContact O-CB 3.26Å; I117-L120 PolarHBondContact O-N 2.67Å; I117-I121 HydrophobicContact CG2-CD1 3.89Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.19Å; I117-I121 PolarHBondContact O-N 3.12Å |
| 118 | E | 92.8 | Very high | 95.1 | Very high | 134 Ų | 134 | 71.4 Ų | 71.4 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63 | -42 | 178.6 | -65.2 | 74 | -166.2 | 0 | 0 | 111.6 | S116 I121 K122 | S116-E118 VanDerWaalsContact C-N 3.28Å; S116-E118 WeakPolarHBondContact CB-OE2 3.44Å; S116-E118 PolarHBondContact OG-N 3.21Å; E118-I121 PolarHBondContact O-N 2.84Å; E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 PolarHBondContact O-N 3.24Å |
| 119 | D | 95 | Very high | 95.1 | Very high | 65 Ų | 65 | 72.5 Ų | 72.5 | 35% | 0.348 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 175.6 | -68.7 | -51.6 | 0 | 0 | 0 | 111.9 | F114 P115 S116 K122 Q123 | F114-D119 HydrophobicContact CB-CB 4.24Å; F114-D119 HydrophobicContact CD1-CB 4.2Å; P115-D119 WeakPolarHBondContact CG-OD2 3.1Å; S116-D119 WeakPolarHBondContact OG-CB 3.47Å; S116-D119 PolarHBondContact OG-N 2.91Å; S116-D119 PolarHBondContact OG-OD2 3.13Å; D119-K122 PolarHBondContact O-N 3.22Å; D119-Q123 PolarHBondContact O-N 2.83Å |
| 120 | L | 93.2 | Very high | 95.1 | Very high | 53 Ų | 53 | 75.4 Ų | 75.4 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 172.8 | 171.2 | 63.7 | 0 | 0 | 0 | 111.1 | L28 F114 S116 I117 K122 Q123 I124 | L28-L120 HydrophobicContact CD1-CD2 4.12Å; L28-L120 HydrophobicContact CD2-CD2 4.24Å; F114-L120 HydrophobicContact CB-CB 4.04Å; F114-L120 HydrophobicContact CD2-CB 3.86Å; F114-L120 HydrophobicContact CD2-CD1 3.51Å; F114-L120 HydrophobicContact CD2-CG 4.25Å; F114-L120 HydrophobicContact CE2-CB 4.49Å; F114-L120 HydrophobicContact CE2-CD1 3.44Å; F114-L120 VanDerWaalsContact CE2-CD1 3.44Å; F114-L120 HydrophobicContact CG-CB 3.87Å; F114-L120 HydrophobicContact CG-CD1 4.33Å; F114-L120 HydrophobicContact CZ-CD1 4.22Å; S116-L120 PolarHBondContact O-N 2.84Å; I117-L120 WeakPolarHBondContact O-CB 3.26Å; I117-L120 PolarHBondContact O-N 2.67Å; L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 2.63Å; L120-Q123 PolarHBondContact O-N 2.89Å; L120-I124 HydrophobicContact CD1-CD1 3.84Å; L120-I124 HydrophobicContact CD1-CG1 4.12Å; L120-I124 HydrophobicContact CG-CD1 3.89Å; L120-I124 VanDerWaalsContact O-CG1 3.31Å; L120-I124 WeakPolarHBondContact O-CG1 3.39Å; L120-I124 PolarHBondContact O-N 3.14Å |
| 121 | I | 93.8 | Very high | 95.1 | Very high | 44 Ų | 44 | 72.9 Ų | 72.9 | 23% | 0.226 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 178.5 | -70.4 | 170.7 | 0 | 0 | 0 | 110.4 | L28 I117 E118 Q123 I124 H125 | L28-I121 HydrophobicContact CB-CG1 4.49Å; L28-I121 HydrophobicContact CD2-CD1 3.87Å; L28-I121 HydrophobicContact CD2-CG1 3.48Å; L28-I121 VanDerWaalsContact CD2-CG1 3.48Å; I117-I121 HydrophobicContact CG2-CD1 3.89Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.19Å; I117-I121 PolarHBondContact O-N 3.12Å; E118-I121 PolarHBondContact O-N 2.84Å; I121-Q123 VanDerWaalsContact C-N 3.33Å; I121-Q123 PolarHBondContact O-N 2.84Å; I121-I124 PolarHBondContact O-N 2.96Å; I121-H125 WeakPolarHBondContact CG2-NE2 3.2Å; I121-H125 PolarHBondContact O-CD2 2.8Å; I121-H125 PolarHBondContact O-N 3.16Å |
| 122 | K | 95.6 | Very high | 95.3 | Very high | 143 Ų | 143 | 71.2 Ų | 71.2 | 62% | 0.622 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.5 | -46.7 | 177.9 | -177.3 | -178.8 | 177 | -175.5 | 0 | 111.3 | E118 D119 L120 H125 T126 | E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 PolarHBondContact O-N 3.24Å; D119-K122 PolarHBondContact O-N 3.22Å; L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 2.63Å; K122-H125 PolarHBondContact O-N 2.94Å; K122-T126 PolarHBondContact O-N 2.77Å; K122-T126 PolarHBondContact O-OG1 2.9Å |
| 123 | Q | 97.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 71 Ų | 71 | 20% | 0.201 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 178.1 | -176 | 62.9 | 57 | 0 | 0 | 112.1 | R109 F114 D119 L120 I121 H125 T126 D127 | R109-Q123 VanDerWaalsContact NH2-CG 3.26Å; F114-Q123 HydrophobicContact CD1-CB 4.39Å; F114-Q123 HydrophobicContact CE1-CB 3.41Å; F114-Q123 VanDerWaalsContact CE1-CB 3.41Å; F114-Q123 HydrophobicContact CE1-CG 3.7Å; F114-Q123 HydrophobicContact CZ-CB 3.68Å; F114-Q123 HydrophobicContact CZ-CG 3.63Å; D119-Q123 PolarHBondContact O-N 2.83Å; L120-Q123 PolarHBondContact O-N 2.89Å; I121-Q123 VanDerWaalsContact C-N 3.33Å; I121-Q123 PolarHBondContact O-N 2.84Å; Q123-H125 VanDerWaalsContact C-N 3.3Å; Q123-H125 PolarHBondContact O-N 3.1Å; Q123-T126 WeakPolarHBondContact O-CB 3.45Å; Q123-T126 PolarHBondContact O-N 3.05Å; Q123-T126 VanDerWaalsContact O-N 3.15Å; Q123-D127 PolarHBondContact NE2-OD1 3.08Å; Q123-D127 PolarHBondContact O-N 3.33Å |
| 124 | I | 95.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 65.3 Ų | 65.3 | 16% | 0.159 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 177.6 | -62.8 | 163.4 | 0 | 0 | 0 | 110.4 | L28 I30 L120 I121 T126 D127 I128 | L28-I124 HydrophobicContact CD1-CD1 4.19Å; I30-I124 HydrophobicContact CD1-CB 3.85Å; I30-I124 HydrophobicContact CD1-CD1 4Å; I30-I124 HydrophobicContact CD1-CG2 3.47Å; I30-I124 VanDerWaalsContact CD1-CG2 3.47Å; I30-I124 HydrophobicContact CG2-CG2 4.05Å; L120-I124 HydrophobicContact CD1-CD1 3.84Å; L120-I124 HydrophobicContact CD1-CG1 4.12Å; L120-I124 HydrophobicContact CG-CD1 3.89Å; L120-I124 VanDerWaalsContact O-CG1 3.31Å; L120-I124 WeakPolarHBondContact O-CG1 3.39Å; L120-I124 PolarHBondContact O-N 3.14Å; I121-I124 PolarHBondContact O-N 2.96Å; I124-T126 VanDerWaalsContact C-N 3.34Å; I124-T126 PolarHBondContact O-N 3.31Å; I124-D127 PolarHBondContact O-N 2.94Å; I124-I128 HydrophobicContact CG2-CD1 3.89Å; I124-I128 HydrophobicContact CG2-CG1 4.37Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.38Å; I124-I128 PolarHBondContact O-N 2.91Å |
| 125 | H | 96.9 | Very high | 96.2 | Very high | 106 Ų | 106 | 62.5 Ų | 62.5 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 174.2 | -72.9 | -53.3 | 0 | 0 | 0 | 112.7 | I121 K122 Q123 I128 S129 | I121-H125 WeakPolarHBondContact CG2-NE2 3.2Å; I121-H125 PolarHBondContact O-CD2 2.8Å; I121-H125 PolarHBondContact O-N 3.16Å; K122-H125 PolarHBondContact O-N 2.94Å; Q123-H125 VanDerWaalsContact C-N 3.3Å; Q123-H125 PolarHBondContact O-N 3.1Å; H125-I128 PolarHBondContact O-N 3.2Å; H125-S129 WeakPolarHBondContact O-CB 3.23Å; H125-S129 PolarHBondContact O-N 2.98Å |
| 126 | T | 98.2 | Very high | 96.5 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 171.6 | -62 | 0 | 0 | 0 | 0 | 111.2 | K122 Q123 I124 I128 S129 E130 | K122-T126 PolarHBondContact O-N 2.77Å; K122-T126 PolarHBondContact O-OG1 2.9Å; Q123-T126 WeakPolarHBondContact O-CB 3.45Å; Q123-T126 PolarHBondContact O-N 3.05Å; Q123-T126 VanDerWaalsContact O-N 3.15Å; I124-T126 VanDerWaalsContact C-N 3.34Å; I124-T126 PolarHBondContact O-N 3.31Å; T126-I128 VanDerWaalsContact C-N 3.33Å; T126-I128 PolarHBondContact O-N 2.87Å; T126-S129 PolarHBondContact O-N 3.12Å; T126-E130 HydrophobicContact CG2-CG 4.28Å; T126-E130 WeakPolarHBondContact O-CB 3.49Å; T126-E130 VanDerWaalsContact O-CG 3.3Å; T126-E130 WeakPolarHBondContact O-CG 3.42Å; T126-E130 PolarHBondContact O-N 2.71Å |
| 127 | D | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 178.6 | -62.6 | -19.7 | 0 | 0 | 0 | 111.7 | I51 F53 V67 F108 R109 Q123 I124 E130 A131 | I51-D127 HydrophobicContact CG2-CB 4.44Å; F53-D127 HydrophobicContact CE1-CB 4.46Å; F53-D127 WeakPolarHBondContact CE1-O 3.4Å; F53-D127 WeakPolarHBondContact CZ-O 3.3Å; V67-D127 HydrophobicContact CG1-CB 4.44Å; F108-D127 WeakPolarHBondContact CE1-OD1 3.27Å; R109-D127 IonicContact CZ-OD1 3.75Å; R109-D127 IonicContact CZ-OD2 3.13Å; R109-D127 VanDerWaalsContact CZ-OD2 3.3Å; R109-D127 IonicContact NE-OD1 2.85Å; R109-D127 PolarHBondContact NE-OD1 2.88Å; R109-D127 IonicContact NE-OD2 2.67Å; R109-D127 PolarHBondContact NE-OD2 2.79Å; R109-D127 VanDerWaalsContact NE-OD2 3.13Å; R109-D127 IonicContact NH2-OD1 3.78Å; R109-D127 IonicContact NH2-OD2 3.93Å; R109-D127 PolarHBondContact NH2-OD2 3.4Å; Q123-D127 PolarHBondContact NE2-OD1 3.08Å; Q123-D127 PolarHBondContact O-N 3.33Å; I124-D127 PolarHBondContact O-N 2.94Å; D127-E130 PolarHBondContact O-N 3.5Å; D127-A131 VanDerWaalsContact O-CB 3.23Å; D127-A131 WeakPolarHBondContact O-CB 3.43Å; D127-A131 PolarHBondContact O-N 3.19Å |
| 128 | I | 98.2 | Very high | 97 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 15% | 0.149 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 176.6 | -70.2 | 167.7 | 0 | 0 | 0 | 111 | V67 L88 I124 H125 T126 A131 N132 | V67-I128 HydrophobicContact CG2-CG1 4.31Å; L88-I128 HydrophobicContact CD1-CG2 4.37Å; L88-I128 HydrophobicContact CD2-CB 4.48Å; L88-I128 HydrophobicContact CD2-CG1 3.96Å; L88-I128 HydrophobicContact CD2-CG2 4.01Å; I124-I128 HydrophobicContact CG2-CD1 3.89Å; I124-I128 HydrophobicContact CG2-CG1 4.37Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.38Å; I124-I128 PolarHBondContact O-N 2.91Å; H125-I128 PolarHBondContact O-N 3.2Å; T126-I128 VanDerWaalsContact C-N 3.33Å; T126-I128 PolarHBondContact O-N 2.87Å; I128-A131 PolarHBondContact O-N 3.45Å; I128-N132 PolarHBondContact O-N 3.3Å; I128-N132 PolarHBondContact O-ND2 3.35Å |
| 129 | S | 98.4 | Very high | 97.1 | Very high | 75 Ų | 75 | 65.9 Ų | 65.9 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | H125 T126 N132 L133 | H125-S129 WeakPolarHBondContact O-CB 3.23Å; H125-S129 PolarHBondContact O-N 2.98Å; T126-S129 PolarHBondContact O-N 3.12Å; S129-N132 PolarHBondContact O-N 3.47Å; S129-L133 PolarHBondContact O-N 3.32Å; S129-L133 VanDerWaalsContact O-N 3.12Å |
| 130 | E | 98.7 | Very high | 97.2 | Very high | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.36 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 178.3 | -72.1 | -69.5 | 155.9 | 0 | 0 | 112.1 | F53 F108 T126 D127 F134 | F53-E130 HydrophobicContact CE2-CB 4.01Å; F53-E130 HydrophobicContact CZ-CB 3.81Å; F108-E130 HydrophobicContact CE1-CB 4.29Å; F108-E130 HydrophobicContact CE2-CB 3.96Å; F108-E130 HydrophobicContact CE2-CG 4.24Å; F108-E130 HydrophobicContact CZ-CB 3.68Å; F108-E130 HydrophobicContact CZ-CG 3.7Å; T126-E130 HydrophobicContact CG2-CG 4.28Å; T126-E130 WeakPolarHBondContact O-CB 3.49Å; T126-E130 VanDerWaalsContact O-CG 3.3Å; T126-E130 WeakPolarHBondContact O-CG 3.42Å; T126-E130 PolarHBondContact O-N 2.71Å; D127-E130 PolarHBondContact O-N 3.5Å; E130-F134 VanDerWaalsContact O-CB 3.23Å; E130-F134 WeakPolarHBondContact O-CB 3.23Å; E130-F134 PolarHBondContact O-N 2.79Å |
| 131 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F53 V67 L88 D127 I128 L133 F134 L135 | F53-A131 HydrophobicContact CB-CB 4.41Å; F53-A131 HydrophobicContact CD1-CB 3.59Å; F53-A131 HydrophobicContact CD2-CB 4.05Å; F53-A131 HydrophobicContact CE1-CB 3.71Å; F53-A131 HydrophobicContact CE2-CB 4.12Å; F53-A131 HydrophobicContact CG-CB 3.78Å; F53-A131 HydrophobicContact CZ-CB 3.94Å; V67-A131 HydrophobicContact CG2-CB 3.53Å; L88-A131 HydrophobicContact CD1-CB 4.25Å; D127-A131 VanDerWaalsContact O-CB 3.23Å; D127-A131 WeakPolarHBondContact O-CB 3.43Å; D127-A131 PolarHBondContact O-N 3.19Å; I128-A131 PolarHBondContact O-N 3.45Å; A131-L133 PolarHBondContact O-N 2.87Å; A131-F134 PolarHBondContact O-N 3.36Å; A131-L135 HydrophobicContact CB-CD1 4.34Å; A131-L135 WeakPolarHBondContact O-CB 3.43Å; A131-L135 WeakPolarHBondContact O-CD1 3.37Å; A131-L135 WeakPolarHBondContact O-CG 3.47Å; A131-L135 PolarHBondContact O-N 2.78Å |
| 132 | N | 98.5 | Very high | 97.6 | Very high | 56 Ų | 56 | 67.3 Ų | 67.3 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 178.3 | -84.6 | -59.9 | 0 | 0 | 0 | 111.8 | K65 I128 S129 L135 D136 | K65-N132 WeakPolarHBondContact CD-OD1 3.14Å; K65-N132 PolarHBondContact NZ-O 3.49Å; I128-N132 PolarHBondContact O-N 3.3Å; I128-N132 PolarHBondContact O-ND2 3.35Å; S129-N132 PolarHBondContact O-N 3.47Å; N132-L135 PolarHBondContact O-N 2.85Å; N132-D136 PolarHBondContact O-N 2.91Å; N132-D136 VanDerWaalsContact O-OD2 3.06Å |
| 133 | L | 98.4 | Very high | 97.7 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 178.9 | 179.8 | 63.2 | 0 | 0 | 0 | 112.3 | S129 A131 | S129-L133 PolarHBondContact O-N 3.32Å; S129-L133 VanDerWaalsContact O-N 3.12Å; A131-L133 PolarHBondContact O-N 2.87Å |
| 134 | F | 98.5 | Very high | 97.7 | Very high | 48 Ų | 48 | 60.5 Ų | 60.5 | 21% | 0.211 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -43.3 | -179.7 | 177.3 | -95.3 | 0 | 0 | 0 | 112.1 | F53 V105 K106 E130 A131 D136 K137 A140 | F53-F134 HydrophobicContact CD2-CB 4.17Å; F53-F134 HydrophobicContact CD2-CD1 4.15Å; F53-F134 HydrophobicContact CD2-CG 4.3Å; F53-F134 HydrophobicContact CE2-CB 4.48Å; V105-F134 HydrophobicContact CG2-CE1 3.75Å; K106-F134 HydrophobicContact CB-CD1 4.4Å; K106-F134 HydrophobicContact CB-CE1 3.78Å; K106-F134 HydrophobicContact CB-CZ 3.98Å; K106-F134 HydrophobicContact CD-CD1 4.06Å; K106-F134 HydrophobicContact CD-CD2 3.83Å; K106-F134 HydrophobicContact CD-CE1 3.92Å; K106-F134 HydrophobicContact CD-CE2 3.68Å; K106-F134 HydrophobicContact CD-CG 4.02Å; K106-F134 HydrophobicContact CD-CZ 3.73Å; K106-F134 HydrophobicContact CG-CE1 4.47Å; K106-F134 HydrophobicContact CG-CZ 4.36Å; E130-F134 VanDerWaalsContact O-CB 3.23Å; E130-F134 WeakPolarHBondContact O-CB 3.23Å; E130-F134 PolarHBondContact O-N 2.79Å; A131-F134 PolarHBondContact O-N 3.36Å; F134-D136 VanDerWaalsContact C-N 3.26Å; F134-D136 PolarHBondContact O-N 2.89Å; F134-K137 HydrophobicContact CD2-CD 4.36Å; F134-K137 WeakPolarHBondContact O-CB 3.21Å; F134-K137 WeakPolarHBondContact O-CG 3.44Å; F134-K137 PolarHBondContact O-N 3.47Å; F134-A140 HydrophobicContact CD1-CB 4.41Å; F134-A140 HydrophobicContact CE1-CB 4.01Å |
| 135 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -76.1 | -9.9 | -174.6 | -65.7 | 169.5 | 0 | 0 | 0 | 113.6 | F53 G54 W55 K65 V105 A131 N132 K137 A140 L141 | F53-L135 HydrophobicContact CB-CD1 4.49Å; F53-L135 HydrophobicContact CB-CD2 4.45Å; G54-L135 VanDerWaalsContact O-CD1 3.23Å; G54-L135 WeakPolarHBondContact O-CD1 3.33Å; W55-L135 HydrophobicContact CH2-CB 4.08Å; W55-L135 WeakPolarHBondContact CH2-O 3.42Å; W55-L135 HydrophobicContact CZ2-CB 3.9Å; W55-L135 HydrophobicContact CZ2-CD2 4.08Å; W55-L135 VanDerWaalsContact CZ2-O 3.32Å; W55-L135 WeakPolarHBondContact CZ2-O 3.32Å; K65-L135 HydrophobicContact CB-CD1 3.68Å; K65-L135 HydrophobicContact CD-CB 3.85Å; K65-L135 HydrophobicContact CD-CD1 4.12Å; K65-L135 HydrophobicContact CG-CB 3.96Å; K65-L135 HydrophobicContact CG-CD1 3.78Å; V105-L135 HydrophobicContact CG2-CD2 3.72Å; A131-L135 HydrophobicContact CB-CD1 4.34Å; A131-L135 WeakPolarHBondContact O-CB 3.43Å; A131-L135 WeakPolarHBondContact O-CD1 3.37Å; A131-L135 WeakPolarHBondContact O-CG 3.47Å; A131-L135 PolarHBondContact O-N 2.78Å; N132-L135 PolarHBondContact O-N 2.85Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-A140 HydrophobicContact CD2-CB 4.22Å; L135-L141 WeakPolarHBondContact O-CG 3.2Å |
| 136 | D | 98.1 | Very high | 97.6 | Very high | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.6 | 170.3 | -74.8 | -32 | 0 | 0 | 0 | 113.5 | K65 N132 F134 L141 | K65-D136 VanDerWaalsContact CE-OD1 3.27Å; K65-D136 WeakPolarHBondContact CE-OD1 3.38Å; K65-D136 IonicContact NZ-OD1 2.9Å; K65-D136 PolarHBondContact NZ-OD1 3.36Å; K65-D136 IonicContact NZ-OD2 2.63Å; K65-D136 PolarHBondContact NZ-OD2 2.92Å; N132-D136 PolarHBondContact O-N 2.91Å; N132-D136 VanDerWaalsContact O-OD2 3.06Å; F134-D136 VanDerWaalsContact C-N 3.26Å; F134-D136 PolarHBondContact O-N 2.89Å; D136-L141 VanDerWaalsContact O-CD1 3.31Å; D136-L141 WeakPolarHBondContact O-CD1 3.16Å |
| 137 | K | 98 | Very high | 97.5 | Very high | 109 Ų | 109 | 67.9 Ų | 67.9 | 47% | 0.474 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -71.8 | 142.8 | 175 | -61.1 | -179.5 | -178 | -173.6 | 0 | 110.6 | F134 L135 E139 A140 L141 | F134-K137 HydrophobicContact CD2-CD 4.36Å; F134-K137 WeakPolarHBondContact O-CB 3.21Å; F134-K137 WeakPolarHBondContact O-CG 3.44Å; F134-K137 PolarHBondContact O-N 3.47Å; L135-K137 VanDerWaalsContact C-N 3.32Å; K137-E139 VanDerWaalsContact C-N 3.28Å; K137-E139 PolarHBondContact O-N 3.16Å; K137-A140 PolarHBondContact O-N 3.29Å; K137-L141 PolarHBondContact O-N 2.9Å |
| 138 | S | 96.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 68.3 Ų | 68.3 | 66% | 0.657 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -52.8 | -41.4 | -175.6 | -60.4 | 0 | 0 | 0 | 0 | 113.7 | A140 L141 L142 | S138-A140 VanDerWaalsContact C-N 3.34Å; S138-A140 PolarHBondContact O-N 3.33Å; S138-L141 PolarHBondContact O-N 3.07Å; S138-L142 PolarHBondContact O-N 2.82Å; S138-L142 VanDerWaalsContact O-N 3.15Å |
| 139 | E | 95 | Very high | 97.2 | Very high | 140 Ų | 140 | 67.1 Ų | 67.1 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.6 | -35.5 | -179.5 | -56 | 79.7 | -173.7 | 0 | 0 | 111.9 | K137 | K137-E139 VanDerWaalsContact C-N 3.28Å; K137-E139 PolarHBondContact O-N 3.16Å |
| 140 | A | 97 | Very high | 96.8 | Very high | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.2 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W55 F134 L135 K137 S138 L142 W143 | W55-A140 PolarHBondContact NE1-O 3.29Å; F134-A140 HydrophobicContact CD1-CB 4.41Å; F134-A140 HydrophobicContact CE1-CB 4.01Å; L135-A140 HydrophobicContact CD2-CB 4.22Å; K137-A140 PolarHBondContact O-N 3.29Å; S138-A140 VanDerWaalsContact C-N 3.34Å; S138-A140 PolarHBondContact O-N 3.33Å; A140-L142 PolarHBondContact O-N 3.24Å; A140-W143 PolarHBondContact O-N 2.83Å; A140-W143 VanDerWaalsContact O-N 3.16Å |
| 141 | L | 97.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 69.1 Ų | 69.1 | 34% | 0.335 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59 | -32.6 | 178 | -80 | 169.6 | 0 | 0 | 0 | 113 | W55 L135 D136 K137 S138 W143 S144 | W55-L141 HydrophobicContact CH2-CD2 3.73Å; W55-L141 HydrophobicContact CZ2-CD2 4.1Å; L135-L141 WeakPolarHBondContact O-CG 3.2Å; D136-L141 VanDerWaalsContact O-CD1 3.31Å; D136-L141 WeakPolarHBondContact O-CD1 3.16Å; K137-L141 PolarHBondContact O-N 2.9Å; S138-L141 PolarHBondContact O-N 3.07Å; L141-W143 PolarHBondContact O-N 2.81Å; L141-S144 WeakPolarHBondContact O-CB 3.38Å; L141-S144 PolarHBondContact O-N 2.81Å; L141-S144 PolarHBondContact O-OG 3.28Å |
| 142 | L | 96.8 | Very high | 95 | Very high | 123 Ų | 123 | 78.3 Ų | 78.3 | 64% | 0.644 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -53.7 | -40.6 | 176.5 | -176.9 | 65.2 | 0 | 0 | 0 | 111.8 | S138 A140 S144 K145 | S138-L142 PolarHBondContact O-N 2.82Å; S138-L142 VanDerWaalsContact O-N 3.15Å; A140-L142 PolarHBondContact O-N 3.24Å; L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 2.75Å; L142-K145 PolarHBondContact O-N 2.98Å; L142-K145 VanDerWaalsContact O-N 3.16Å |
| 143 | W | 97.2 | Very high | 93.4 | Very high | 22 Ų | 22 | 79.5 Ų | 79.5 | 8% | 0.083 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.8 | -21.3 | -178.9 | -70.8 | 101.4 | 0 | 0 | 0 | 114 | L5 A7 G8 A9 I103 V105 A140 L141 K145 H146 F149 | L5-W143 HydrophobicContact CB-CH2 4.43Å; L5-W143 HydrophobicContact CD1-CE3 4.36Å; L5-W143 HydrophobicContact CD1-CH2 4.25Å; L5-W143 HydrophobicContact CD1-CZ3 3.76Å; L5-W143 HydrophobicContact CD2-CZ3 4.47Å; A7-W143 HydrophobicContact CB-CZ2 4.41Å; A7-W143 WeakPolarHBondContact O-CZ2 3.29Å; G8-W143 PolarHBondContact O-NE1 2.96Å; A9-W143 HydrophobicContact CB-CD2 3.55Å; A9-W143 HydrophobicContact CB-CE3 3.75Å; A9-W143 HydrophobicContact CB-CG 4.24Å; A9-W143 HydrophobicContact CB-CH2 3.68Å; A9-W143 HydrophobicContact CB-CZ2 3.46Å; A9-W143 VanDerWaalsContact CB-CZ2 3.46Å; A9-W143 HydrophobicContact CB-CZ3 3.81Å; A9-W143 VanDerWaalsContact N-CZ2 3.26Å; I103-W143 HydrophobicContact CD1-CE3 4.27Å; I103-W143 HydrophobicContact CG2-CB 4.34Å; I103-W143 HydrophobicContact CG2-CD2 4.34Å; I103-W143 HydrophobicContact CG2-CE3 3.91Å; V105-W143 HydrophobicContact CG1-CB 3.73Å; V105-W143 HydrophobicContact CG1-CG 3.74Å; A140-W143 PolarHBondContact O-N 2.83Å; A140-W143 VanDerWaalsContact O-N 3.16Å; L141-W143 PolarHBondContact O-N 2.81Å; W143-K145 PolarHBondContact O-N 3.43Å; W143-H146 HydrophobicContact CE3-CB 4.17Å; W143-H146 AromaticContact CE3-CD2 3.58Å; W143-H146 AromaticContact CE3-CG 3.95Å; W143-H146 AromaticContact CZ3-CD2 3.29Å; W143-H146 WeakPolarHBondContact CZ3-CD2 3.48Å; W143-H146 AromaticContact CZ3-CG 3.96Å; W143-H146 AromaticContact CZ3-NE2 3.6Å; W143-H146 WeakPolarHBondContact O-CB 3.46Å; W143-H146 PolarHBondContact O-N 3.47Å; W143-F149 WeakPolarHBondContact O-CE2 3.33Å |
| 144 | S | 97.5 | Very high | 91.3 | Very high | 22 Ų | 22 | 88 Ų | 88 | 15% | 0.154 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.3 | 173.3 | 73.4 | 0 | 0 | 0 | 0 | 113.1 | V63 L141 L142 | V63-S144 WeakPolarHBondContact CG2-O 3.37Å; L141-S144 WeakPolarHBondContact O-CB 3.38Å; L141-S144 PolarHBondContact O-N 2.81Å; L141-S144 PolarHBondContact O-OG 3.28Å; L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 2.75Å |
| 145 | K | 96.4 | Very high | 90.9 | Very high | 166 Ų | 166 | 90 Ų | 90 | 72% | 0.722 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 7 | -177.2 | -58.4 | 177.9 | -176.8 | 175.2 | 0 | 113.1 | L142 W143 | L142-K145 PolarHBondContact O-N 2.98Å; L142-K145 VanDerWaalsContact O-N 3.16Å; W143-K145 PolarHBondContact O-N 3.43Å |
| 146 | H | 95.7 | Very high | 90.5 | Very high | 65 Ų | 65 | 94.7 Ų | 94.7 | 30% | 0.301 | 45% | 0.454 | S | S | . | . | trans | -67.5 | 141.6 | -173.9 | -165.4 | -83.5 | 0 | 0 | 0 | 112.3 | I103 W143 L148 F149 | I103-H146 HydrophobicContact CD1-CB 3.73Å; W143-H146 HydrophobicContact CE3-CB 4.17Å; W143-H146 AromaticContact CE3-CD2 3.58Å; W143-H146 AromaticContact CE3-CG 3.95Å; W143-H146 AromaticContact CZ3-CD2 3.29Å; W143-H146 WeakPolarHBondContact CZ3-CD2 3.48Å; W143-H146 AromaticContact CZ3-CG 3.96Å; W143-H146 AromaticContact CZ3-NE2 3.6Å; W143-H146 WeakPolarHBondContact O-CB 3.46Å; W143-H146 PolarHBondContact O-N 3.47Å; H146-L148 WeakPolarHBondContact ND1-CB 3.25Å; H146-L148 WeakPolarHBondContact ND1-CG 3.3Å; H146-L148 PolarHBondContact ND1-N 3.34Å; H146-L148 PolarHBondContact O-N 3.01Å; H146-L148 VanDerWaalsContact O-N 3.14Å; H146-F149 PolarHBondContact O-N 3.2Å; H146-F149 VanDerWaalsContact O-N 3.08Å | ||
| 147 | D | 94.8 | Very high | 90.1 | Very high | 118 Ų | 118 | 94.6 Ų | 94.6 | 63% | 0.631 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -61.7 | -26 | -173.1 | -71.4 | -29.6 | 0 | 0 | 0 | 114.5 | F149 N150 E151 | D147-F149 PolarHBondContact O-N 3.21Å; D147-N150 WeakPolarHBondContact O-CA 3.31Å; D147-N150 PolarHBondContact O-N 3Å; D147-E151 PolarHBondContact O-N 3.15Å; D147-E151 VanDerWaalsContact O-N 3.1Å |
| 148 | L | 95 | Very high | 89.6 | Confident | 13 Ų | 13 | 93.8 Ų | 93.8 | 7% | 0.068 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -52 | -27.9 | 172.9 | -77.3 | 170.1 | 0 | 0 | 0 | 113.3 | L5 Y12 I103 H146 N150 | L5-L148 HydrophobicContact CD2-CD1 4.02Å; Y12-L148 HydrophobicContact CD1-CD1 4.38Å; Y12-L148 HydrophobicContact CD1-CD2 4.2Å; Y12-L148 HydrophobicContact CD2-CB 3.97Å; Y12-L148 HydrophobicContact CD2-CD1 4.09Å; Y12-L148 HydrophobicContact CD2-CG 4.48Å; Y12-L148 HydrophobicContact CE1-CD2 4.23Å; Y12-L148 HydrophobicContact CE2-CB 3.95Å; Y12-L148 HydrophobicContact CG-CB 4.44Å; Y12-L148 HydrophobicContact CG-CD1 3.84Å; Y12-L148 HydrophobicContact CG-CD2 4.39Å; Y12-L148 HydrophobicContact CG-CG 4.48Å; I103-L148 HydrophobicContact CD1-CB 4.37Å; I103-L148 HydrophobicContact CD1-CD1 4.48Å; H146-L148 WeakPolarHBondContact ND1-CB 3.25Å; H146-L148 WeakPolarHBondContact ND1-CG 3.3Å; H146-L148 PolarHBondContact ND1-N 3.34Å; H146-L148 PolarHBondContact O-N 3.01Å; H146-L148 VanDerWaalsContact O-N 3.14Å; L148-N150 VanDerWaalsContact C-N 3.27Å; L148-N150 PolarHBondContact O-N 2.89Å |
| 149 | F | 96.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 93.8 Ų | 93.8 | 2% | 0.018 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -74.7 | -14.9 | 174.7 | -74.7 | -55.5 | 0 | 0 | 0 | 114.1 | W55 K57 V63 K101 I103 W143 H146 D147 | W55-F149 HydrophobicContact CB-CE2 3.88Å; W55-F149 HydrophobicContact CB-CZ 3.64Å; K57-F149 HydrophobicContact CB-CD1 3.6Å; K57-F149 HydrophobicContact CB-CE1 3.97Å; K57-F149 HydrophobicContact CB-CG 4.4Å; K57-F149 HydrophobicContact CD-CB 3.86Å; K57-F149 HydrophobicContact CD-CD1 4.2Å; K57-F149 HydrophobicContact CD-CG 4.33Å; K57-F149 WeakPolarHBondContact CD-O 3.48Å; K57-F149 PolarHBondContact NZ-O 3.19Å; V63-F149 HydrophobicContact CG1-CD2 4.17Å; V63-F149 HydrophobicContact CG1-CE2 3.8Å; V63-F149 HydrophobicContact CG1-CZ 4.03Å; V63-F149 HydrophobicContact CG2-CB 4.12Å; V63-F149 HydrophobicContact CG2-CD1 4.33Å; V63-F149 HydrophobicContact CG2-CD2 3.8Å; V63-F149 HydrophobicContact CG2-CE2 4.27Å; V63-F149 HydrophobicContact CG2-CG 3.84Å; K101-F149 HydrophobicContact CB-CD1 3.78Å; K101-F149 HydrophobicContact CB-CE1 3.95Å; I103-F149 HydrophobicContact CB-CE2 4.33Å; I103-F149 HydrophobicContact CB-CZ 3.99Å; I103-F149 HydrophobicContact CD1-CD2 4.02Å; I103-F149 HydrophobicContact CD1-CE2 3.51Å; I103-F149 HydrophobicContact CD1-CZ 3.84Å; I103-F149 HydrophobicContact CG1-CE1 4.3Å; I103-F149 HydrophobicContact CG1-CE2 3.89Å; I103-F149 HydrophobicContact CG1-CZ 3.66Å; W143-F149 WeakPolarHBondContact O-CE2 3.33Å; H146-F149 PolarHBondContact O-N 3.2Å; H146-F149 VanDerWaalsContact O-N 3.08Å; D147-F149 PolarHBondContact O-N 3.21Å |
| 150 | N | 90.7 | Very high | 88.8 | Confident | 105 Ų | 105 | 90.7 Ų | 90.7 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -11.2 | -176.5 | -59.9 | -37.8 | 0 | 0 | 0 | 112.9 | K57 D147 L148 K152 | K57-N150 PolarHBondContact NZ-OD1 3.2Å; K57-N150 VanDerWaalsContact NZ-OD1 3.07Å; D147-N150 WeakPolarHBondContact O-CA 3.31Å; D147-N150 PolarHBondContact O-N 3Å; L148-N150 VanDerWaalsContact C-N 3.27Å; L148-N150 PolarHBondContact O-N 2.89Å; N150-K152 PolarHBondContact O-N 3.48Å |
| 151 | E | 84.5 | Confident | 88.2 | Confident | 88 Ų | 88 | 96.9 Ų | 96.9 | 41% | 0.411 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -56.7 | 133.4 | 169.8 | -69.1 | -173.2 | -173.7 | 0 | 0 | 110 | K101 D147 | K101-E151 PolarHBondContact NZ-O 3.44Å; D147-E151 PolarHBondContact O-N 3.15Å; D147-E151 VanDerWaalsContact O-N 3.1Å |
| 152 | K | 74.7 | Confident | 87.5 | Confident | 194 Ų | 194 | 99.4 Ų | 99.4 | 84% | 0.843 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 140.9 | 171.7 | -70.3 | -173.7 | 178.1 | -178.2 | 0 | 109 | N150 R154 | N150-K152 PolarHBondContact O-N 3.48Å; K152-R154 PolarHBondContact O-N 3.37Å |
| 153 | D | 65 | Low | 86.8 | Confident | 80 Ų | 80 | 97.4 Ų | 97.4 | 43% | 0.428 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 124.7 | 169 | -59.9 | -16.4 | 0 | 0 | 0 | 107.2 | T99 K101 | T99-D153 WeakPolarHBondContact CB-OD2 3.37Å; T99-D153 WeakPolarHBondContact CG2-OD2 3.43Å; T99-D153 PolarHBondContact OG1-OD2 3.4Å; K101-D153 WeakPolarHBondContact CE-OD1 3.37Å; K101-D153 IonicContact NZ-OD1 3.3Å; K101-D153 PolarHBondContact NZ-OD1 3.4Å |
| 154 | R | 53.5 | Low | 85.8 | Confident | 292 Ų | 292 | 104.3 Ų | 104.3 | 100% | 1.102 | 48% | 0.476 | S | S | * | . | trans | -69.2 | 0 | -179.9 | -73 | -169.7 | -161.5 | -168.6 | 5.1 | 111.5 | K152 | K152-R154 PolarHBondContact O-N 3.37Š|
Retrieved 154 of 154 residues in 40.8 ms
(Link to these results)