| 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 | 63.4 | Low | 88.5 | Confident | 75 Ų | 75 | 16.1 Ų | 16.1 | 37% | 0.369 | 9% | 0.091 | S | C | . | . | 0 | 115.5 | 0 | 176.4 | -178.7 | 168 | 0 | 0 | 106.7 | I3 S78 I79 F82 Y121 V122 | M1-I3 HydrophobicContact CE-CD1 3.63Å; M1-I3 HydrophobicContact CE-CG1 4.14Å; M1-S78 WeakPolarHBondContact CE-O 3.26Å; M1-S78 WeakPolarHBondContact SD-CB 3.29Å; M1-I79 HydrophobicContact CE-CB 4.31Å; M1-I79 HydrophobicContact CE-CG1 3.8Å; M1-I79 HydrophobicContact CG-CG1 4.32Å; M1-F82 HydrophobicContact CE-CB 3.69Å; M1-F82 HydrophobicContact CE-CG 4.12Å; M1-Y121 VanDerWaalsContact O-CD1 3.32Å; M1-Y121 WeakPolarHBondContact O-CD1 3.47Å; M1-V122 HydrophobicContact CE-CG2 3.6Å; M1-V122 HydrophobicContact SD-CG2 4.13Å | |||
| 2 | M | 81.4 | Confident | 88.4 | Confident | 39 Ų | 39 | 27.3 Ų | 27.3 | 19% | 0.192 | 14% | 0.138 | C | C | . | . | trans | -133.3 | 102.2 | -171.5 | 177.5 | 168.2 | 153.7 | 0 | 0 | 108.3 | R22 T70 S74 | M2-R22 HydrophobicContact CE-CG 4.31Å; M2-R22 VanDerWaalsContact CG-NH2 3.31Å; M2-R22 PolarHBondContact SD-NH2 2.69Å; M2-T70 WeakPolarHBondContact O-CB 2.8Å; M2-T70 PolarHBondContact O-OG1 2.83Å; M2-S74 PolarHBondContact N-OG 3.46Å | ||
| 3 | I | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -85.6 | 123.2 | 174.4 | -66.5 | 170.9 | 0 | 0 | 0 | 107.8 | M1 Q5 A68 I79 F82 L117 G120 | M1-I3 HydrophobicContact CE-CD1 3.63Å; M1-I3 HydrophobicContact CE-CG1 4.14Å; I3-Q5 WeakPolarHBondContact CG2-O 3.46Å; I3-A68 HydrophobicContact CD1-CB 4.48Å; I3-A68 HydrophobicContact CG1-CB 4.44Å; I3-A68 HydrophobicContact CG2-CB 4.01Å; I3-I79 HydrophobicContact CG1-CG1 4.26Å; I3-F82 HydrophobicContact CD1-CD1 3.44Å; I3-F82 VanDerWaalsContact CD1-CD1 3.44Å; I3-F82 HydrophobicContact CD1-CE1 3.66Å; I3-F82 HydrophobicContact CD1-CG 4.18Å; I3-L117 HydrophobicContact CD1-CD1 4.44Å; I3-L117 HydrophobicContact CD1-CD2 4.09Å; I3-G120 PolarHBondContact N-O 3.4Å; I3-G120 WeakPolarHBondContact O-CA 3.45Å | ||
| 4 | S | 90.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | trans | -83.3 | -53.5 | 178.9 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | Y21 T69 | S4-Y21 PolarHBondContact O-N 3.39Å; S4-T69 PolarHBondContact N-O 3.26Å | ||
| 5 | Q | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154.1 | 179.2 | -53.6 | 151.5 | -60.2 | 0 | 0 | 110.1 | I3 Y18 K19 D20 A25 A68 T69 | I3-Q5 WeakPolarHBondContact CG2-O 3.46Å; Q5-Y18 HydrophobicContact CB-CE2 4.45Å; Q5-Y18 PolarHBondContact NE2-OH 3.13Å; Q5-K19 WeakPolarHBondContact CA-O 3.44Å; Q5-D20 HydrophobicContact CG-CB 4.25Å; Q5-A25 HydrophobicContact CG-CB 4.23Å; Q5-A68 CarbonylContact O-C 3.53Å; Q5-A68 VanDerWaalsContact O-CA 3.29Å; Q5-A68 WeakPolarHBondContact O-CA 3.44Å; Q5-T69 VanDerWaalsContact CB-OG1 3.29Å; Q5-T69 WeakPolarHBondContact CB-OG1 3.24Å; Q5-T69 PolarHBondContact N-OG1 3.37Å; Q5-T69 PolarHBondContact O-N 3.24Å; Q5-T69 PolarHBondContact OE1-OG1 2.87Å |
| 6 | L | 94 | Very high | 88.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 131.9 | 173.3 | -174.6 | 87 | 0 | 0 | 0 | 108.9 | K19 Y21 V67 A68 F82 L83 L86 L113 L117 | L6-K19 PolarHBondContact N-O 3.35Å; L6-K19 PolarHBondContact O-N 3.15Å; L6-Y21 HydrophobicContact CB-CE2 3.88Å; L6-V67 WeakPolarHBondContact CA-O 3.35Å; L6-A68 HydrophobicContact CD1-CB 4.09Å; L6-F82 HydrophobicContact CD1-CE1 4.2Å; L6-L83 HydrophobicContact CD1-CD2 3.49Å; L6-L83 VanDerWaalsContact CD1-CD2 3.49Å; L6-L86 HydrophobicContact CD1-CD2 4.21Å; L6-L86 HydrophobicContact CD2-CD2 3.59Å; L6-L86 HydrophobicContact CG-CD2 4.48Å; L6-L113 HydrophobicContact CD2-CD1 3.93Å; L6-L113 HydrophobicContact CD2-CD2 3.23Å; L6-L113 HydrophobicContact CD2-CG 4.22Å; L6-L117 HydrophobicContact CD2-CD1 4.45Å |
| 7 | F | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.1 | 174.6 | 53 | -89 | 0 | 0 | 0 | 112.6 | L9 I17 Y18 V29 I30 F33 F56 V67 T69 | F7-L9 HydrophobicContact CD2-CD1 4.04Å; F7-L9 HydrophobicContact CD2-CD2 3.92Å; F7-L9 HydrophobicContact CD2-CG 3.83Å; F7-L9 HydrophobicContact CE2-CD1 3.93Å; F7-L9 HydrophobicContact CE2-CG 4.24Å; F7-I17 CarbonylContact C-O 3.57Å; F7-I17 WeakPolarHBondContact CA-O 3.44Å; F7-I17 VanDerWaalsContact CB-O 3.24Å; F7-I17 WeakPolarHBondContact CB-O 3.5Å; F7-Y18 HydrophobicContact CB-CD2 4.05Å; F7-Y18 HydrophobicContact CD1-CD2 4.37Å; F7-V29 HydrophobicContact CE1-CG1 3.77Å; F7-V29 HydrophobicContact CZ-CG1 4.2Å; F7-I30 HydrophobicContact CD1-CG1 4.49Å; F7-I30 HydrophobicContact CD2-CG1 4.21Å; F7-I30 HydrophobicContact CE2-CG1 4.46Å; F7-I30 HydrophobicContact CG-CG1 4.21Å; F7-F33 HydrophobicContact CE2-CB 4.19Å; F7-F33 AromaticContact CE2-CD1 3.94Å; F7-F33 HydrophobicContact CE2-CD1 3.94Å; F7-F33 HydrophobicContact CE2-CG 4.05Å; F7-F33 HydrophobicContact CZ-CB 3.99Å; F7-F33 HydrophobicContact CZ-CD1 4.46Å; F7-F33 HydrophobicContact CZ-CG 4.11Å; F7-F56 HydrophobicContact CZ-CD1 4.19Å; F7-F56 HydrophobicContact CZ-CE1 4.19Å; F7-V67 HydrophobicContact CD1-CB 4.39Å; F7-V67 HydrophobicContact CD2-CB 3.72Å; F7-V67 HydrophobicContact CD2-CG1 4.43Å; F7-V67 HydrophobicContact CD2-CG2 3.92Å; F7-V67 HydrophobicContact CE1-CB 4.08Å; F7-V67 HydrophobicContact CE1-CG1 3.92Å; F7-V67 HydrophobicContact CE2-CB 3.37Å; F7-V67 HydrophobicContact CE2-CG1 3.63Å; F7-V67 HydrophobicContact CE2-CG2 3.52Å; F7-V67 HydrophobicContact CG-CB 4.23Å; F7-V67 HydrophobicContact CZ-CB 3.57Å; F7-V67 HydrophobicContact CZ-CG1 3.33Å; F7-V67 HydrophobicContact CZ-CG2 4.16Å; F7-V67 PolarHBondContact N-O 2.82Å; F7-V67 PolarHBondContact O-N 2.79Å; F7-T69 HydrophobicContact CE1-CG2 4Å |
| 8 | I | 95.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.4 | 177.8 | -51.2 | 172.9 | 0 | 0 | 0 | 108.2 | L16 I17 L64 Y65 W66 I102 | I8-L16 HydrophobicContact CG2-CD1 4.47Å; I8-L16 WeakPolarHBondContact O-CB 3.29Å; I8-L16 PolarHBondContact O-N 3.43Å; I8-I17 HydrophobicContact CB-CB 4.12Å; I8-I17 HydrophobicContact CD1-CB 4.05Å; I8-I17 HydrophobicContact CD1-CG1 4.09Å; I8-I17 HydrophobicContact CD1-CG2 4.45Å; I8-I17 HydrophobicContact CG1-CB 4.1Å; I8-I17 PolarHBondContact N-O 2.97Å; I8-I17 PolarHBondContact O-N 2.92Å; I8-L64 HydrophobicContact CG2-CB 4.25Å; I8-L64 HydrophobicContact CG2-CD1 4.44Å; I8-Y65 CarbonylContact C-O 3.59Å; I8-Y65 VanDerWaalsContact CA-O 3.28Å; I8-Y65 WeakPolarHBondContact CA-O 3.43Å; I8-W66 HydrophobicContact CD1-CD2 4.38Å; I8-W66 HydrophobicContact CD1-CE3 3.71Å; I8-W66 HydrophobicContact CD1-CH2 3.69Å; I8-W66 HydrophobicContact CD1-CZ2 4.35Å; I8-W66 HydrophobicContact CD1-CZ3 3.34Å; I8-W66 HydrophobicContact CG1-CD2 4.31Å; I8-W66 HydrophobicContact CG1-CE3 3.87Å; I8-W66 HydrophobicContact CG1-CZ3 4.04Å; I8-I102 HydrophobicContact CD1-CD1 4.09Å; I8-I102 HydrophobicContact CG2-CD1 3.71Å |
| 9 | L | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 149.5 | 179.9 | -48.4 | 177.6 | 0 | 0 | 0 | 111.8 | F7 D14 H15 I30 F33 L64 Y65 | F7-L9 HydrophobicContact CD2-CD1 4.04Å; F7-L9 HydrophobicContact CD2-CD2 3.92Å; F7-L9 HydrophobicContact CD2-CG 3.83Å; F7-L9 HydrophobicContact CE2-CD1 3.93Å; F7-L9 HydrophobicContact CE2-CG 4.24Å; L9-D14 CarbonylContact C-O 3.6Å; L9-D14 VanDerWaalsContact CA-O 3.28Å; L9-D14 WeakPolarHBondContact CA-O 3.37Å; L9-H15 HydrophobicContact CD2-CB 4.34Å; L9-I30 HydrophobicContact CD1-CG2 4.06Å; L9-I30 HydrophobicContact CD2-CG2 3.6Å; L9-I30 HydrophobicContact CG-CG2 4.49Å; L9-F33 HydrophobicContact CD1-CD1 3.77Å; L9-F33 HydrophobicContact CD1-CE1 4.13Å; L9-L64 WeakPolarHBondContact O-CA 3.41Å; L9-Y65 PolarHBondContact N-O 2.84Å; L9-Y65 PolarHBondContact O-N 3.29Å |
| 10 | S | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -66.4 | 165.1 | 166.9 | 88.3 | 0 | 0 | 0 | 0 | 110.7 | K12 G13 D14 | S10-K12 PolarHBondContact O-N 2.75Å; S10-K12 VanDerWaalsContact O-N 3.08Å; S10-K12 PolarHBondContact OG-N 2.93Å; S10-G13 PolarHBondContact O-N 3.37Å; S10-G13 PolarHBondContact OG-N 2.92Å; S10-D14 PolarHBondContact N-O 3.02Å; S10-D14 WeakPolarHBondContact OG-CB 3.45Å; S10-D14 PolarHBondContact OG-N 3.43Å; S10-D14 PolarHBondContact OG-OD2 3.12Å | ||
| 11 | S | 86.6 | Confident | 89.6 | Confident | 57 Ų | 57 | 33.6 Ų | 33.6 | 40% | 0.399 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.8 | 171.3 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 12 | K | 87.5 | Confident | 90.7 | Very high | 150 Ų | 150 | 31.7 Ų | 31.7 | 65% | 0.652 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0.9 | 179 | -57.6 | 176.9 | -177.2 | 171.1 | 0 | 113.4 | S10 Y34 | S10-K12 PolarHBondContact O-N 2.75Å; S10-K12 VanDerWaalsContact O-N 3.08Å; S10-K12 PolarHBondContact OG-N 2.93Å; K12-Y34 WeakPolarHBondContact CA-OH 3.49Å; K12-Y34 PolarHBondContact O-OH 2.94Å |
| 13 | G | 84.9 | Confident | 90.6 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | trans | 89.3 | 5.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S10 H15 Y34 | S10-G13 PolarHBondContact O-N 3.37Å; S10-G13 PolarHBondContact OG-N 2.92Å; G13-H15 PolarHBondContact O-N 3.14Å; G13-Y34 VanDerWaalsContact CA-CD2 3.45Å; G13-Y34 VanDerWaalsContact N-CE2 3.31Å | ||
| 14 | D | 89.7 | Confident | 89.6 | Confident | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | trans | -65.9 | 132 | 177.3 | -50.6 | -61.2 | 0 | 0 | 0 | 110 | L9 S10 L16 | L9-D14 CarbonylContact C-O 3.6Å; L9-D14 VanDerWaalsContact CA-O 3.28Å; L9-D14 WeakPolarHBondContact CA-O 3.37Å; S10-D14 PolarHBondContact N-O 3.02Å; S10-D14 WeakPolarHBondContact OG-CB 3.45Å; S10-D14 PolarHBondContact OG-N 3.43Å; S10-D14 PolarHBondContact OG-OD2 3.12Å; D14-L16 PolarHBondContact O-N 2.83Å | ||
| 15 | H | 90.3 | Very high | 88.3 | Confident | 98 Ų | 98 | 40 Ų | 40 | 45% | 0.454 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 113.6 | 178.5 | 167.3 | -126.1 | 0 | 0 | 0 | 110.7 | L9 G13 I17 Y18 I30 | L9-H15 HydrophobicContact CD2-CB 4.34Å; G13-H15 PolarHBondContact O-N 3.14Å; H15-I17 PolarHBondContact CD2-O 3.11Å; H15-I17 PolarHBondContact NE2-O 2.88Å; H15-Y18 WeakPolarHBondContact NE2-CB 3.45Å; H15-Y18 PolarHBondContact NE2-N 2.71Å; H15-I30 HydrophobicContact CB-CD1 4.4Å |
| 16 | L | 93.1 | Very high | 87 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -47 | 180 | -55.8 | 178.1 | 0 | 0 | 0 | 112.2 | I8 D14 L64 E99 I102 Q103 | I8-L16 HydrophobicContact CG2-CD1 4.47Å; I8-L16 WeakPolarHBondContact O-CB 3.29Å; I8-L16 PolarHBondContact O-N 3.43Å; D14-L16 PolarHBondContact O-N 2.83Å; L16-L64 HydrophobicContact CD1-CD2 3.67Å; L16-E99 HydrophobicContact CD1-CB 4.5Å; L16-E99 HydrophobicContact CD1-CG 3.97Å; L16-E99 HydrophobicContact CD2-CG 3.96Å; L16-I102 HydrophobicContact CB-CG2 3.89Å; L16-I102 HydrophobicContact CD1-CB 4.45Å; L16-I102 HydrophobicContact CD1-CD1 4.46Å; L16-I102 HydrophobicContact CD1-CG2 4.3Å; L16-Q103 HydrophobicContact CD2-CG 4.09Å |
| 17 | I | 95.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 137.4 | 180 | -63 | -68.4 | 0 | 0 | 0 | 108.2 | F7 I8 H15 I102 F106 I109 Y110 L113 | F7-I17 CarbonylContact C-O 3.57Å; F7-I17 WeakPolarHBondContact CA-O 3.44Å; F7-I17 VanDerWaalsContact CB-O 3.24Å; F7-I17 WeakPolarHBondContact CB-O 3.5Å; I8-I17 HydrophobicContact CB-CB 4.12Å; I8-I17 HydrophobicContact CD1-CB 4.05Å; I8-I17 HydrophobicContact CD1-CG1 4.09Å; I8-I17 HydrophobicContact CD1-CG2 4.45Å; I8-I17 HydrophobicContact CG1-CB 4.1Å; I8-I17 PolarHBondContact N-O 2.97Å; I8-I17 PolarHBondContact O-N 2.92Å; H15-I17 PolarHBondContact CD2-O 3.11Å; H15-I17 PolarHBondContact NE2-O 2.88Å; I17-I102 HydrophobicContact CD1-CG2 4.35Å; I17-I102 HydrophobicContact CG1-CG2 3.78Å; I17-F106 HydrophobicContact CD1-CB 4.34Å; I17-I109 HydrophobicContact CD1-CB 4.4Å; I17-I109 HydrophobicContact CD1-CG2 4.1Å; I17-I109 HydrophobicContact CG1-CG2 4.09Å; I17-I109 HydrophobicContact CG2-CG2 4.5Å; I17-Y110 HydrophobicContact CD1-CD2 4.21Å; I17-Y110 HydrophobicContact CD1-CE2 3.69Å; I17-Y110 HydrophobicContact CG2-CE1 4.12Å; I17-L113 HydrophobicContact CG2-CD1 3.69Å |
| 18 | Y | 93.9 | Very high | 85.2 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 133.6 | 170.9 | 169.9 | -91.9 | 0 | 0 | 0 | 109 | Q5 F7 H15 D20 I30 Y110 | Q5-Y18 HydrophobicContact CB-CE2 4.45Å; Q5-Y18 PolarHBondContact NE2-OH 3.13Å; F7-Y18 HydrophobicContact CB-CD2 4.05Å; F7-Y18 HydrophobicContact CD1-CD2 4.37Å; H15-Y18 WeakPolarHBondContact NE2-CB 3.45Å; H15-Y18 PolarHBondContact NE2-N 2.71Å; Y18-D20 HydrophobicContact CE1-CB 4.02Å; Y18-I30 HydrophobicContact CD2-CD1 3.79Å; Y18-I30 HydrophobicContact CD2-CG1 4.2Å; Y18-I30 HydrophobicContact CE2-CD1 4.47Å; Y18-I30 HydrophobicContact CG-CD1 4.31Å; Y18-Y110 PolarHBondContact N-OH 3Å; Y18-Y110 WeakPolarHBondContact O-CE1 3.39Å; Y18-Y110 PolarHBondContact O-OH 2.8Å |
| 19 | K | 92.3 | Very high | 84.8 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 125.8 | 174.8 | -167.5 | 161.3 | 176.6 | -176.9 | 0 | 109.8 | Q5 L6 Y21 Y110 L113 D114 | Q5-K19 WeakPolarHBondContact CA-O 3.44Å; L6-K19 PolarHBondContact N-O 3.35Å; L6-K19 PolarHBondContact O-N 3.15Å; K19-Y21 HydrophobicContact CB-CE2 4.2Å; K19-Y21 HydrophobicContact CD-CE1 3.94Å; K19-Y21 HydrophobicContact CD-CE2 4.36Å; K19-Y21 HydrophobicContact CG-CE1 4.19Å; K19-Y21 HydrophobicContact CG-CE2 4.06Å; K19-Y110 HydrophobicContact CD-CD1 4.4Å; K19-L113 HydrophobicContact CB-CD1 4.39Å; K19-L113 HydrophobicContact CD-CB 3.97Å; K19-L113 HydrophobicContact CD-CD1 4.22Å; K19-D114 WeakPolarHBondContact CE-OD1 3.4Å; K19-D114 VanDerWaalsContact NZ-CA 3.31Å; K19-D114 VanDerWaalsContact NZ-N 3.1Å; K19-D114 IonicContact NZ-OD1 3.7Å; K19-D114 PolarHBondContact NZ-OD1 2.9Å; K19-D114 IonicContact NZ-OD2 3.36Å; K19-D114 PolarHBondContact NZ-OD2 2.74Å |
| 20 | D | 91.7 | Very high | 84.6 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.9 | 173.1 | -169.6 | -11.8 | 0 | 0 | 0 | 108.6 | Q5 Y18 R22 G23 | Q5-D20 HydrophobicContact CG-CB 4.25Å; Y18-D20 HydrophobicContact CE1-CB 4.02Å; D20-R22 PolarHBondContact OD1-N 3.33Å; D20-G23 VanDerWaalsContact CG-N 3.25Å; D20-G23 PolarHBondContact OD1-N 2.84Å; D20-G23 VanDerWaalsContact OD2-CA 3.27Å; D20-G23 WeakPolarHBondContact OD2-CA 3.42Å; D20-G23 PolarHBondContact OD2-N 2.67Å |
| 21 | Y | 90.2 | Very high | 84.5 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -92.4 | -12.6 | -179.8 | -65.9 | -85 | 0 | 0 | 0 | 112.6 | S4 L6 K19 L113 L117 Y119 | S4-Y21 PolarHBondContact O-N 3.39Å; L6-Y21 HydrophobicContact CB-CE2 3.88Å; K19-Y21 HydrophobicContact CB-CE2 4.2Å; K19-Y21 HydrophobicContact CD-CE1 3.94Å; K19-Y21 HydrophobicContact CD-CE2 4.36Å; K19-Y21 HydrophobicContact CG-CE1 4.19Å; K19-Y21 HydrophobicContact CG-CE2 4.06Å; Y21-L113 WeakPolarHBondContact OH-CB 3.32Å; Y21-L113 PolarHBondContact OH-O 3.37Å; Y21-L117 HydrophobicContact CD1-CB 4.16Å; Y21-L117 HydrophobicContact CD2-CD1 4.37Å; Y21-L117 HydrophobicContact CE1-CB 3.44Å; Y21-L117 VanDerWaalsContact CE1-CB 3.44Å; Y21-L117 HydrophobicContact CE1-CD1 4.29Å; Y21-L117 WeakPolarHBondContact CE1-O 3.45Å; Y21-L117 HydrophobicContact CE2-CB 4.25Å; Y21-L117 HydrophobicContact CE2-CD1 3.55Å; Y21-L117 VanDerWaalsContact CZ-CB 3.5Å; Y21-L117 VanDerWaalsContact CZ-CD1 3.5Å; Y21-L117 WeakPolarHBondContact OH-CD1 3.48Å; Y21-Y119 WeakPolarHBondContact O-CD2 3.41Å |
| 22 | R | 86.3 | Confident | 84.6 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -118.2 | -27.9 | -173.7 | -68.5 | -63.6 | -175.4 | 136.1 | -2.9 | 113.4 | M2 D20 E24 Y119 Y121 | M2-R22 HydrophobicContact CE-CG 4.31Å; M2-R22 VanDerWaalsContact CG-NH2 3.31Å; M2-R22 PolarHBondContact SD-NH2 2.69Å; D20-R22 PolarHBondContact OD1-N 3.33Å; R22-E24 HydrophobicContact CB-CB 4.25Å; R22-E24 HydrophobicContact CB-CG 4.05Å; R22-E24 PolarHBondContact O-N 3.26Å; R22-Y119 VanDerWaalsContact CZ-CD1 3.45Å; R22-Y119 PolarHBondContact NE-O 2.72Å; R22-Y119 PolarHBondContact NH1-OH 3.06Å; R22-Y119 PolarHBondContact NH2-O 2.64Å; R22-Y119 VanDerWaalsContact NH2-O 3.13Å; R22-Y121 VanDerWaalsContact NH2-CE2 3.34Å |
| 23 | G | 80.1 | Confident | 84.8 | Confident | 62 Ų | 62 | 49.7 Ų | 49.7 | 64% | 0.639 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 71.2 | 14.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | D20 | D20-G23 VanDerWaalsContact CG-N 3.25Å; D20-G23 PolarHBondContact OD1-N 2.84Å; D20-G23 VanDerWaalsContact OD2-CA 3.27Å; D20-G23 WeakPolarHBondContact OD2-CA 3.42Å; D20-G23 PolarHBondContact OD2-N 2.67Å |
| 24 | E | 67.4 | Low | 85 | Confident | 130 Ų | 130 | 51.9 Ų | 51.9 | 61% | 0.607 | 30% | 0.297 | S | S | * | . | trans | -96.5 | -6.7 | -169.8 | -72.2 | 178.1 | 178.6 | 0 | 0 | 113.6 | R22 | R22-E24 HydrophobicContact CB-CB 4.25Å; R22-E24 HydrophobicContact CB-CG 4.05Å; R22-E24 PolarHBondContact O-N 3.26Å | ||
| 25 | A | 62.8 | Low | 85 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -114.2 | 149.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q5 V29 | Q5-A25 HydrophobicContact CG-CB 4.23Å; A25-V29 HydrophobicContact CB-CG2 4.25Å |
| 26 | G | 65.9 | Low | 84.9 | Confident | 52 Ų | 52 | 53.2 Ų | 53.2 | 54% | 0.536 | 30% | 0.3 | S | S | . | . | trans | -68.6 | 154.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D28 V29 | G26-D28 PolarHBondContact O-N 2.94Å; G26-V29 VanDerWaalsContact O-CG2 3.31Å; G26-V29 WeakPolarHBondContact O-CG2 3.42Å | ||
| 27 | S | 66.1 | Low | 84.5 | Confident | 124 Ų | 124 | 52.4 Ų | 52.4 | 87% | 0.867 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.3 | -178.3 | 55.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 28 | D | 83.5 | Confident | 84.1 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7.3 | -169.1 | -165.4 | 23.7 | 0 | 0 | 0 | 113.6 | G26 I30 D31 V32 | G26-D28 PolarHBondContact O-N 2.94Å; D28-I30 VanDerWaalsContact C-N 3.3Å; D28-I30 PolarHBondContact O-N 2.77Å; D28-D31 PolarHBondContact O-N 2.88Å; D28-D31 WeakPolarHBondContact OD1-CB 3.37Å; D28-V32 WeakPolarHBondContact O-CB 3.47Å; D28-V32 WeakPolarHBondContact O-CG2 3.19Å; D28-V32 PolarHBondContact O-N 2.84Å; D28-V32 VanDerWaalsContact O-N 3.08Å |
| 29 | V | 87.5 | Confident | 83.6 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -34.5 | -173 | 169.1 | 0 | 0 | 0 | 0 | 112.6 | F7 A25 G26 F33 L54 F56 T69 | F7-V29 HydrophobicContact CE1-CG1 3.77Å; F7-V29 HydrophobicContact CZ-CG1 4.2Å; A25-V29 HydrophobicContact CB-CG2 4.25Å; G26-V29 VanDerWaalsContact O-CG2 3.31Å; G26-V29 WeakPolarHBondContact O-CG2 3.42Å; V29-F33 WeakPolarHBondContact O-CB 3.39Å; V29-F33 PolarHBondContact O-N 3.36Å; V29-F33 VanDerWaalsContact O-N 3.09Å; V29-L54 HydrophobicContact CG2-CD1 4.4Å; V29-F56 HydrophobicContact CG1-CE1 3.48Å; V29-F56 VanDerWaalsContact CG1-CE1 3.48Å; V29-F56 HydrophobicContact CG1-CZ 4.04Å; V29-F56 WeakPolarHBondContact O-CE1 3.34Å; V29-T69 HydrophobicContact CG1-CG2 3.73Å |
| 30 | I | 89.2 | Confident | 83 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.4 | -49.9 | -179.5 | -65.2 | 173.4 | 0 | 0 | 0 | 110.5 | F7 L9 H15 Y18 D28 F33 Y34 | F7-I30 HydrophobicContact CD1-CG1 4.49Å; F7-I30 HydrophobicContact CD2-CG1 4.21Å; F7-I30 HydrophobicContact CE2-CG1 4.46Å; F7-I30 HydrophobicContact CG-CG1 4.21Å; L9-I30 HydrophobicContact CD1-CG2 4.06Å; L9-I30 HydrophobicContact CD2-CG2 3.6Å; L9-I30 HydrophobicContact CG-CG2 4.49Å; H15-I30 HydrophobicContact CB-CD1 4.4Å; Y18-I30 HydrophobicContact CD2-CD1 3.79Å; Y18-I30 HydrophobicContact CD2-CG1 4.2Å; Y18-I30 HydrophobicContact CE2-CD1 4.47Å; Y18-I30 HydrophobicContact CG-CD1 4.31Å; D28-I30 VanDerWaalsContact C-N 3.3Å; D28-I30 PolarHBondContact O-N 2.77Å; I30-F33 WeakPolarHBondContact O-CB 3.38Å; I30-F33 PolarHBondContact O-N 3.46Å; I30-Y34 PolarHBondContact O-N 3Å |
| 31 | D | 89.7 | Confident | 81.6 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | -177.2 | -62.9 | -37 | 0 | 0 | 0 | 110.2 | D28 F33 Y34 E35 | D28-D31 PolarHBondContact O-N 2.88Å; D28-D31 WeakPolarHBondContact OD1-CB 3.37Å; D31-F33 VanDerWaalsContact C-N 3.3Å; D31-F33 PolarHBondContact O-N 2.84Å; D31-Y34 PolarHBondContact O-N 3.04Å; D31-Y34 VanDerWaalsContact O-N 3.11Å; D31-E35 WeakPolarHBondContact O-CG 3.49Å; D31-E35 PolarHBondContact O-N 3.01Å |
| 32 | V | 90.3 | Very high | 80.2 | Confident | 18 Ų | 18 | 64.6 Ų | 64.6 | 11% | 0.109 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.5 | -41.7 | 174.3 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | D28 K36 H51 F56 | D28-V32 WeakPolarHBondContact O-CB 3.47Å; D28-V32 WeakPolarHBondContact O-CG2 3.19Å; D28-V32 PolarHBondContact O-N 2.84Å; D28-V32 VanDerWaalsContact O-N 3.08Å; V32-K36 HydrophobicContact CG1-CD 4.44Å; V32-K36 WeakPolarHBondContact O-CB 2.95Å; V32-K36 VanDerWaalsContact O-CG 3.29Å; V32-K36 WeakPolarHBondContact O-CG 3.37Å; V32-K36 PolarHBondContact O-N 3.33Å; V32-H51 HydrophobicContact CG1-CB 4.28Å; V32-F56 HydrophobicContact CG1-CE2 4.21Å; V32-F56 HydrophobicContact CG1-CZ 4.13Å |
| 33 | F | 90.6 | Very high | 78.8 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 175.8 | 172 | -95.5 | 0 | 0 | 0 | 111.2 | F7 L9 V29 I30 D31 K36 V37 M49 F56 H58 Y65 V67 | F7-F33 HydrophobicContact CE2-CB 4.19Å; F7-F33 AromaticContact CE2-CD1 3.94Å; F7-F33 HydrophobicContact CE2-CD1 3.94Å; F7-F33 HydrophobicContact CE2-CG 4.05Å; F7-F33 HydrophobicContact CZ-CB 3.99Å; F7-F33 HydrophobicContact CZ-CD1 4.46Å; F7-F33 HydrophobicContact CZ-CG 4.11Å; L9-F33 HydrophobicContact CD1-CD1 3.77Å; L9-F33 HydrophobicContact CD1-CE1 4.13Å; V29-F33 WeakPolarHBondContact O-CB 3.39Å; V29-F33 PolarHBondContact O-N 3.36Å; V29-F33 VanDerWaalsContact O-N 3.09Å; I30-F33 WeakPolarHBondContact O-CB 3.38Å; I30-F33 PolarHBondContact O-N 3.46Å; D31-F33 VanDerWaalsContact C-N 3.3Å; D31-F33 PolarHBondContact O-N 2.84Å; F33-K36 PolarHBondContact O-N 2.79Å; F33-V37 HydrophobicContact CE1-CB 4.3Å; F33-V37 HydrophobicContact CE1-CG1 4.29Å; F33-V37 HydrophobicContact CZ-CB 4.29Å; F33-V37 HydrophobicContact CZ-CG2 4.26Å; F33-V37 PolarHBondContact O-N 3.36Å; F33-M49 HydrophobicContact CD2-CE 3.52Å; F33-M49 HydrophobicContact CE2-CE 3.19Å; F33-M49 HydrophobicContact CZ-CE 4.03Å; F33-F56 HydrophobicContact CB-CD1 3.86Å; F33-F56 HydrophobicContact CB-CE1 3.67Å; F33-F56 HydrophobicContact CB-CZ 4.2Å; F33-F56 HydrophobicContact CD2-CB 3.77Å; F33-F56 AromaticContact CD2-CD1 3.65Å; F33-F56 HydrophobicContact CD2-CD1 3.65Å; F33-F56 HydrophobicContact CD2-CE1 4.35Å; F33-F56 AromaticContact CD2-CG 3.79Å; F33-F56 HydrophobicContact CD2-CG 3.79Å; F33-F56 HydrophobicContact CE2-CB 4.17Å; F33-F56 HydrophobicContact CG-CD1 4.14Å; F33-F56 HydrophobicContact CG-CE1 4.44Å; F33-H58 HydrophobicContact CE2-CB 3.86Å; F33-H58 AromaticContact CE2-CG 3.92Å; F33-H58 HydrophobicContact CZ-CB 3.76Å; F33-H58 AromaticContact CZ-CG 3.74Å; F33-Y65 HydrophobicContact CE1-CG 4.42Å; F33-V67 HydrophobicContact CD1-CG2 3.99Å; F33-V67 HydrophobicContact CD2-CG1 3.8Å; F33-V67 HydrophobicContact CD2-CG2 4.42Å; F33-V67 HydrophobicContact CE1-CG2 3.47Å; F33-V67 VanDerWaalsContact CE1-CG2 3.47Å; F33-V67 HydrophobicContact CE2-CG1 3.72Å; F33-V67 HydrophobicContact CE2-CG2 3.92Å; F33-V67 HydrophobicContact CG-CG1 4.25Å; F33-V67 HydrophobicContact CG-CG2 4.44Å; F33-V67 HydrophobicContact CZ-CB 4.45Å; F33-V67 HydrophobicContact CZ-CG1 4.14Å; F33-V67 HydrophobicContact CZ-CG2 3.43Å; F33-V67 VanDerWaalsContact CZ-CG2 3.43Å |
| 34 | Y | 89.8 | Confident | 77.7 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 24% | 0.243 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.5 | -40.4 | -175.1 | -172.7 | -111.1 | 0 | 0 | 0 | 112.2 | K12 G13 I30 D31 K36 V37 T38 | K12-Y34 WeakPolarHBondContact CA-OH 3.49Å; K12-Y34 PolarHBondContact O-OH 2.94Å; G13-Y34 VanDerWaalsContact CA-CD2 3.45Å; G13-Y34 VanDerWaalsContact N-CE2 3.31Å; I30-Y34 PolarHBondContact O-N 3Å; D31-Y34 PolarHBondContact O-N 3.04Å; D31-Y34 VanDerWaalsContact O-N 3.11Å; Y34-K36 VanDerWaalsContact C-N 3.32Å; Y34-K36 PolarHBondContact O-N 2.88Å; Y34-V37 HydrophobicContact CD2-CG1 4.07Å; Y34-V37 WeakPolarHBondContact O-CG1 3.28Å; Y34-V37 PolarHBondContact O-N 3.37Å; Y34-T38 HydrophobicContact CD1-CG2 4.37Å; Y34-T38 HydrophobicContact CD2-CG2 4.16Å; Y34-T38 HydrophobicContact CE1-CG2 3.95Å; Y34-T38 HydrophobicContact CE2-CG2 3.69Å; Y34-T38 HydrophobicContact CG-CG2 4.46Å; Y34-T38 WeakPolarHBondContact O-CB 3.22Å; Y34-T38 WeakPolarHBondContact O-CG2 3.29Å; Y34-T38 PolarHBondContact O-N 3.09Å; Y34-T38 PolarHBondContact O-OG1 3.21Å |
| 35 | E | 88.9 | Confident | 77.5 | Confident | 138 Ų | 138 | 71.8 Ų | 71.8 | 65% | 0.645 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.1 | -44.5 | 171.6 | -73.2 | -174.2 | 168.9 | 0 | 0 | 111.4 | D31 T38 A39 | D31-E35 WeakPolarHBondContact O-CG 3.49Å; D31-E35 PolarHBondContact O-N 3.01Å; E35-T38 PolarHBondContact O-N 3.3Å; E35-T38 PolarHBondContact O-OG1 3.46Å; E35-T38 VanDerWaalsContact O-OG1 3.13Å; E35-A39 WeakPolarHBondContact O-CB 3.5Å; E35-A39 PolarHBondContact O-N 3.09Å |
| 36 | K | 87.6 | Confident | 77.9 | Confident | 65 Ų | 65 | 73.6 Ų | 73.6 | 28% | 0.283 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.9 | -78 | -176.5 | 176.9 | -132.4 | 0 | 112.6 | V32 F33 Y34 T38 L40 M49 S50 H51 | V32-K36 HydrophobicContact CG1-CD 4.44Å; V32-K36 WeakPolarHBondContact O-CB 2.95Å; V32-K36 VanDerWaalsContact O-CG 3.29Å; V32-K36 WeakPolarHBondContact O-CG 3.37Å; V32-K36 PolarHBondContact O-N 3.33Å; F33-K36 PolarHBondContact O-N 2.79Å; Y34-K36 VanDerWaalsContact C-N 3.32Å; Y34-K36 PolarHBondContact O-N 2.88Å; K36-T38 VanDerWaalsContact C-N 3.29Å; K36-T38 PolarHBondContact O-N 3.28Å; K36-L40 WeakPolarHBondContact O-CD1 3.39Å; K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.33Å; K36-M49 HydrophobicContact CB-CE 4.46Å; K36-M49 HydrophobicContact CB-SD 3.95Å; K36-S50 PolarHBondContact NZ-O 2.85Å; K36-H51 VanDerWaalsContact CE-ND1 3.33Å; K36-H51 WeakPolarHBondContact CE-ND1 3.49Å |
| 37 | V | 86.6 | Confident | 78.5 | Confident | 9 Ų | 9 | 74.3 Ų | 74.3 | 6% | 0.055 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.7 | -34.6 | -176.9 | 89.3 | 0 | 0 | 0 | 0 | 111.3 | F33 Y34 P45 M49 Y65 | F33-V37 HydrophobicContact CE1-CB 4.3Å; F33-V37 HydrophobicContact CE1-CG1 4.29Å; F33-V37 HydrophobicContact CZ-CB 4.29Å; F33-V37 HydrophobicContact CZ-CG2 4.26Å; F33-V37 PolarHBondContact O-N 3.36Å; Y34-V37 HydrophobicContact CD2-CG1 4.07Å; Y34-V37 WeakPolarHBondContact O-CG1 3.28Å; Y34-V37 PolarHBondContact O-N 3.37Å; V37-P45 HydrophobicContact CG2-CB 3.62Å; V37-P45 HydrophobicContact CG2-CG 3.72Å; V37-M49 HydrophobicContact CB-CE 4.23Å; V37-M49 HydrophobicContact CG2-CE 4.28Å; V37-Y65 HydrophobicContact CG2-CE1 4.08Å |
| 38 | T | 84.9 | Confident | 79.5 | Confident | 78 Ų | 78 | 71 Ų | 71 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -83.3 | -26.9 | -179.6 | 54 | 0 | 0 | 0 | 0 | 113.7 | Y34 E35 K36 L40 | Y34-T38 HydrophobicContact CD1-CG2 4.37Å; Y34-T38 HydrophobicContact CD2-CG2 4.16Å; Y34-T38 HydrophobicContact CE1-CG2 3.95Å; Y34-T38 HydrophobicContact CE2-CG2 3.69Å; Y34-T38 HydrophobicContact CG-CG2 4.46Å; Y34-T38 WeakPolarHBondContact O-CB 3.22Å; Y34-T38 WeakPolarHBondContact O-CG2 3.29Å; Y34-T38 PolarHBondContact O-N 3.09Å; Y34-T38 PolarHBondContact O-OG1 3.21Å; E35-T38 PolarHBondContact O-N 3.3Å; E35-T38 PolarHBondContact O-OG1 3.46Å; E35-T38 VanDerWaalsContact O-OG1 3.13Å; K36-T38 VanDerWaalsContact C-N 3.29Å; K36-T38 PolarHBondContact O-N 3.28Å; T38-L40 PolarHBondContact O-N 3.43Å |
| 39 | A | 83.2 | Confident | 79.7 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -70.1 | -12.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E35 | E35-A39 WeakPolarHBondContact O-CB 3.5Å; E35-A39 PolarHBondContact O-N 3.09Å |
| 40 | L | 80.3 | Confident | 79.6 | Confident | 66 Ų | 66 | 70 Ų | 70 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | trans | -78.2 | 127 | -179.1 | -67.6 | 156.6 | 0 | 0 | 0 | 110.7 | K36 T38 G42 P45 P46 M49 | K36-L40 WeakPolarHBondContact O-CD1 3.39Å; K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.33Å; T38-L40 PolarHBondContact O-N 3.43Å; L40-G42 VanDerWaalsContact C-N 3.27Å; L40-G42 PolarHBondContact O-N 3.44Å; L40-P45 HydrophobicContact CD1-CB 3.51Å; L40-P46 HydrophobicContact CD1-CG 4.13Å; L40-P46 HydrophobicContact CD2-CG 4.18Å; L40-M49 HydrophobicContact CD1-SD 3.97Å | ||
| 41 | T | 63.1 | Low | 79.4 | Confident | 153 Ų | 153 | 71.3 Ų | 71.3 | 94% | 0.939 | 41% | 0.407 | S | S | * | . | trans | -84.5 | 2.8 | -177 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 42 | G | 59.5 | Low | 79.1 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 45% | 0.454 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -98.4 | 148.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L40 Q44 | L40-G42 VanDerWaalsContact C-N 3.27Å; L40-G42 PolarHBondContact O-N 3.44Å; G42-Q44 PolarHBondContact O-N 2.94Å; G42-Q44 VanDerWaalsContact O-N 3.11Å |
| 43 | D | 56.9 | Low | 78.7 | Confident | 171 Ų | 171 | 81.1 Ų | 81.1 | 91% | 0.914 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -60 | -20.6 | 177.2 | -82.9 | -18.1 | 0 | 0 | 0 | 113.5 | ||
| 44 | Q | 58.6 | Low | 78.5 | Confident | 177 Ų | 177 | 83 Ų | 83 | 83% | 0.827 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -128.2 | 113.5 | 175.3 | -67 | -167.8 | -15.1 | 0 | 0 | 110.8 | G42 | G42-Q44 PolarHBondContact O-N 2.94Å; G42-Q44 VanDerWaalsContact O-N 3.11Å |
| 45 | P | 63.1 | Low | 78.5 | Confident | 28 Ų | 28 | 82.2 Ų | 82.2 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | trans | -65.4 | 149.4 | 174.6 | 27.2 | -34.2 | 0 | 0 | 0 | 110.9 | V37 L40 V47 H58 | V37-P45 HydrophobicContact CG2-CB 3.62Å; V37-P45 HydrophobicContact CG2-CG 3.72Å; L40-P45 HydrophobicContact CD1-CB 3.51Å; P45-V47 PolarHBondContact O-N 2.86Å; P45-H58 WeakPolarHBondContact CG-NE2 3.48Å | ||
| 46 | P | 70.3 | Confident | 78.6 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | trans | -63.4 | 126.5 | 176.4 | 15.5 | -9.8 | 0 | 0 | 0 | 109.5 | L40 V48 M49 H58 | L40-P46 HydrophobicContact CD1-CG 4.13Å; L40-P46 HydrophobicContact CD2-CG 4.18Å; P46-V48 PolarHBondContact O-N 2.97Å; P46-V48 VanDerWaalsContact O-N 3.08Å; P46-M49 HydrophobicContact CG-CG 4.14Å; P46-H58 PolarHBondContact O-CE1 2.89Å | ||
| 47 | V | 78.8 | Confident | 78.9 | Confident | 66 Ų | 66 | 72.7 Ų | 72.7 | 40% | 0.4 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -53.4 | -33.3 | -177 | 177.4 | 0 | 0 | 0 | 0 | 112.2 | P45 V57 H58 I80 | P45-V47 PolarHBondContact O-N 2.86Å; V47-V57 WeakPolarHBondContact O-CA 3.38Å; V47-H58 WeakPolarHBondContact CG1-O 3.35Å; V47-H58 PolarHBondContact O-N 2.73Å; V47-H58 PolarHBondContact O-ND1 2.91Å; V47-I80 HydrophobicContact CG1-CD1 3.47Å; V47-I80 VanDerWaalsContact CG1-CD1 3.47Å; V47-I80 HydrophobicContact CG1-CG1 3.76Å |
| 48 | V | 86.4 | Confident | 79.1 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 33% | 0.327 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.3 | 176.8 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | P46 H55 F56 V57 P76 | P46-V48 PolarHBondContact O-N 2.97Å; P46-V48 VanDerWaalsContact O-N 3.08Å; V48-H55 HydrophobicContact CG1-CB 4.41Å; V48-F56 CarbonylContact C-O 3.49Å; V48-F56 VanDerWaalsContact CA-O 3.26Å; V48-F56 WeakPolarHBondContact CA-O 3.28Å; V48-V57 HydrophobicContact CG1-CG2 4.4Å; V48-V57 HydrophobicContact CG2-CG2 4.31Å; V48-P76 HydrophobicContact CG2-CB 3.69Å; V48-P76 HydrophobicContact CG2-CG 4.27Å |
| 49 | M | 87.7 | Confident | 79.5 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 7% | 0.069 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.6 | 176.2 | -62.3 | -176.9 | -74.5 | 0 | 0 | 110 | F33 K36 V37 L40 P46 H55 F56 | F33-M49 HydrophobicContact CD2-CE 3.52Å; F33-M49 HydrophobicContact CE2-CE 3.19Å; F33-M49 HydrophobicContact CZ-CE 4.03Å; K36-M49 HydrophobicContact CB-CE 4.46Å; K36-M49 HydrophobicContact CB-SD 3.95Å; V37-M49 HydrophobicContact CB-CE 4.23Å; V37-M49 HydrophobicContact CG2-CE 4.28Å; L40-M49 HydrophobicContact CD1-SD 3.97Å; P46-M49 HydrophobicContact CG-CG 4.14Å; M49-H55 CarbonylContact O-C 3.6Å; M49-H55 WeakPolarHBondContact O-CA 3.33Å; M49-F56 HydrophobicContact CB-CB 4.33Å; M49-F56 PolarHBondContact N-O 2.79Å; M49-F56 PolarHBondContact O-N 2.92Å |
| 50 | S | 86.2 | Confident | 79.8 | Confident | 68 Ų | 68 | 73.1 Ų | 73.1 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 137.8 | 177.6 | -52.8 | 0 | 0 | 0 | 0 | 110.8 | K36 L54 H55 | K36-S50 PolarHBondContact NZ-O 2.85Å; S50-L54 CarbonylContact C-O 3.57Å; S50-L54 WeakPolarHBondContact CA-O 3.5Å; S50-H55 PolarHBondContact OG-CE1 2.93Å; S50-H55 VanDerWaalsContact OG-CE1 3.3Å; S50-H55 PolarHBondContact OG-ND1 3.5Å |
| 51 | H | 84.2 | Confident | 80.2 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 114.2 | 168.3 | -177.4 | 87.9 | 0 | 0 | 0 | 109.1 | V32 K36 D53 L54 F56 | V32-H51 HydrophobicContact CG1-CB 4.28Å; K36-H51 VanDerWaalsContact CE-ND1 3.33Å; K36-H51 WeakPolarHBondContact CE-ND1 3.49Å; H51-D53 PolarHBondContact O-N 2.95Å; H51-L54 PolarHBondContact N-O 2.78Å; H51-L54 PolarHBondContact O-N 3.01Å; H51-F56 HydrophobicContact CB-CD2 4.34Å; H51-F56 HydrophobicContact CB-CE2 3.61Å |
| 52 | K | 84 | Confident | 81.1 | Confident | 177 Ų | 177 | 67.4 Ų | 67.4 | 77% | 0.77 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -124.7 | -171.8 | -55.7 | 170 | -178 | 166.4 | 0 | 109 | ||
| 53 | D | 82.4 | Confident | 82.4 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 75% | 0.754 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 7.7 | -180 | -53.7 | -44.9 | 0 | 0 | 0 | 113.6 | H51 | H51-D53 PolarHBondContact O-N 2.95Š|
| 54 | L | 85.5 | Confident | 84.1 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.6 | 179.5 | -67.5 | 171.6 | 0 | 0 | 0 | 111.3 | V29 S50 H51 T71 | V29-L54 HydrophobicContact CG2-CD1 4.4Å; S50-L54 CarbonylContact C-O 3.57Å; S50-L54 WeakPolarHBondContact CA-O 3.5Å; H51-L54 PolarHBondContact N-O 2.78Å; H51-L54 PolarHBondContact O-N 3.01Å; L54-T71 HydrophobicContact CD2-CG2 4.49Å |
| 55 | H | 89.7 | Confident | 85.7 | Confident | 45 Ų | 45 | 51.7 Ų | 51.7 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.7 | 170.2 | -58 | -68.2 | 0 | 0 | 0 | 109.6 | V48 M49 S50 T69 T70 | V48-H55 HydrophobicContact CG1-CB 4.41Å; M49-H55 CarbonylContact O-C 3.6Å; M49-H55 WeakPolarHBondContact O-CA 3.33Å; S50-H55 PolarHBondContact OG-CE1 2.93Å; S50-H55 VanDerWaalsContact OG-CE1 3.3Å; S50-H55 PolarHBondContact OG-ND1 3.5Å; H55-T69 CarbonylContact O-C 3.49Å; H55-T69 VanDerWaalsContact O-CA 3.31Å; H55-T69 WeakPolarHBondContact O-CA 3.37Å; H55-T70 HydrophobicContact CB-CG2 4.01Å; H55-T70 PolarHBondContact N-O 3.04Å; H55-T70 PolarHBondContact O-N 3.32Å |
| 56 | F | 91.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.8 | 168.6 | -61.4 | -84.7 | 0 | 0 | 0 | 108.9 | F7 V29 V32 F33 V48 M49 H51 V67 T69 | F7-F56 HydrophobicContact CZ-CD1 4.19Å; F7-F56 HydrophobicContact CZ-CE1 4.19Å; V29-F56 HydrophobicContact CG1-CE1 3.48Å; V29-F56 VanDerWaalsContact CG1-CE1 3.48Å; V29-F56 HydrophobicContact CG1-CZ 4.04Å; V29-F56 WeakPolarHBondContact O-CE1 3.34Å; V32-F56 HydrophobicContact CG1-CE2 4.21Å; V32-F56 HydrophobicContact CG1-CZ 4.13Å; F33-F56 HydrophobicContact CB-CD1 3.86Å; F33-F56 HydrophobicContact CB-CE1 3.67Å; F33-F56 HydrophobicContact CB-CZ 4.2Å; F33-F56 HydrophobicContact CD2-CB 3.77Å; F33-F56 AromaticContact CD2-CD1 3.65Å; F33-F56 HydrophobicContact CD2-CD1 3.65Å; F33-F56 HydrophobicContact CD2-CE1 4.35Å; F33-F56 AromaticContact CD2-CG 3.79Å; F33-F56 HydrophobicContact CD2-CG 3.79Å; F33-F56 HydrophobicContact CE2-CB 4.17Å; F33-F56 HydrophobicContact CG-CD1 4.14Å; F33-F56 HydrophobicContact CG-CE1 4.44Å; V48-F56 CarbonylContact C-O 3.49Å; V48-F56 VanDerWaalsContact CA-O 3.26Å; V48-F56 WeakPolarHBondContact CA-O 3.28Å; M49-F56 HydrophobicContact CB-CB 4.33Å; M49-F56 PolarHBondContact N-O 2.79Å; M49-F56 PolarHBondContact O-N 2.92Å; H51-F56 HydrophobicContact CB-CD2 4.34Å; H51-F56 HydrophobicContact CB-CE2 3.61Å; F56-V67 HydrophobicContact CB-CG1 4.45Å; F56-V67 HydrophobicContact CD1-CG1 4.16Å; F56-T69 HydrophobicContact CD1-CG2 3.62Å; F56-T69 HydrophobicContact CE1-CG2 3.74Å |
| 57 | V | 93.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 107.3 | V47 V48 V67 A68 T70 P76 I79 I80 | V47-V57 WeakPolarHBondContact O-CA 3.38Å; V48-V57 HydrophobicContact CG1-CG2 4.4Å; V48-V57 HydrophobicContact CG2-CG2 4.31Å; V57-V67 WeakPolarHBondContact O-CA 3.26Å; V57-A68 PolarHBondContact N-O 2.94Å; V57-A68 PolarHBondContact O-N 2.98Å; V57-T70 HydrophobicContact CG2-CG2 4.42Å; V57-P76 HydrophobicContact CG2-CB 4.31Å; V57-I79 HydrophobicContact CB-CB 4.32Å; V57-I79 HydrophobicContact CB-CG2 3.74Å; V57-I79 HydrophobicContact CG1-CB 4.07Å; V57-I79 HydrophobicContact CG1-CG2 3.77Å; V57-I79 HydrophobicContact CG2-CB 4.44Å; V57-I79 HydrophobicContact CG2-CD1 4.11Å; V57-I79 HydrophobicContact CG2-CG2 4.26Å; V57-I80 HydrophobicContact CG1-CD1 4.33Å; V57-I80 HydrophobicContact CG1-CG1 3.52Å |
| 58 | H | 92.5 | Very high | 89.1 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.8 | -176.2 | 80.3 | -76.4 | 0 | 0 | 0 | 114.1 | F33 P45 P46 V47 W66 V67 | F33-H58 HydrophobicContact CE2-CB 3.86Å; F33-H58 AromaticContact CE2-CG 3.92Å; F33-H58 HydrophobicContact CZ-CB 3.76Å; F33-H58 AromaticContact CZ-CG 3.74Å; P45-H58 WeakPolarHBondContact CG-NE2 3.48Å; P46-H58 PolarHBondContact O-CE1 2.89Å; V47-H58 WeakPolarHBondContact CG1-O 3.35Å; V47-H58 PolarHBondContact O-N 2.73Å; V47-H58 PolarHBondContact O-ND1 2.91Å; H58-W66 CarbonylContact C-O 3.47Å; H58-W66 WeakPolarHBondContact CA-O 3.37Å; H58-W66 WeakPolarHBondContact CB-O 3.19Å; H58-V67 HydrophobicContact CB-CB 4.35Å; H58-V67 HydrophobicContact CB-CG1 4.21Å; H58-V67 HydrophobicContact CB-CG2 3.94Å |
| 59 | I | 92.7 | Very high | 89.3 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 158.3 | 168.7 | 66.2 | 169.6 | 0 | 0 | 0 | 110 | Q61 W66 I80 L83 N84 | I59-Q61 HydrophobicContact CD1-CG 4.14Å; I59-W66 HydrophobicContact CD1-CB 4.37Å; I59-W66 HydrophobicContact CG1-CB 3.67Å; I59-W66 HydrophobicContact CG1-CG 4.14Å; I59-W66 PolarHBondContact N-O 2.75Å; I59-W66 PolarHBondContact O-N 3.32Å; I59-I80 HydrophobicContact CG2-CG2 4.09Å; I59-L83 VanDerWaalsContact CD1-C 3.4Å; I59-L83 HydrophobicContact CD1-CB 3.63Å; I59-L83 HydrophobicContact CG1-CB 3.86Å; I59-L83 HydrophobicContact CG1-CD1 4.49Å; I59-L83 HydrophobicContact CG2-CB 4.37Å; I59-L83 HydrophobicContact CG2-CD1 4.47Å; I59-N84 HydrophobicContact CD1-CB 4.28Å; I59-N84 WeakPolarHBondContact CD1-OD1 3.44Å |
| 60 | R | 89.6 | Confident | 89.4 | Confident | 150 Ų | 150 | 41 Ų | 41 | 57% | 0.566 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 113.3 | 175.5 | -166.3 | 174.9 | -176 | -174.3 | 1 | 110.3 | L64 | R60-L64 WeakPolarHBondContact CA-O 3.46Å |
| 61 | Q | 87.5 | Confident | 89.3 | Confident | 53 Ų | 53 | 39.9 Ų | 39.9 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.4 | 177.8 | -68.9 | -161.1 | 11.1 | 0 | 0 | 111.1 | I59 G63 L64 W66 N84 S87 L97 | I59-Q61 HydrophobicContact CD1-CG 4.14Å; Q61-G63 PolarHBondContact O-N 2.73Å; Q61-L64 PolarHBondContact N-O 3.01Å; Q61-L64 VanDerWaalsContact N-O 3.13Å; Q61-L64 WeakPolarHBondContact O-CB 3.31Å; Q61-L64 PolarHBondContact O-N 2.8Å; Q61-W66 PolarHBondContact O-NE1 2.9Å; Q61-N84 PolarHBondContact NE2-OD1 3.47Å; Q61-S87 PolarHBondContact NE2-OG 2.66Å; Q61-S87 VanDerWaalsContact OE1-CB 3.28Å; Q61-S87 PolarHBondContact OE1-OG 2.8Å; Q61-L97 HydrophobicContact CB-CD1 4.49Å |
| 62 | G | 83.3 | Confident | 88.5 | Confident | 46 Ų | 46 | 41 Ų | 41 | 47% | 0.474 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 22.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L64 | G62-L64 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 2.89Å |
| 63 | G | 86.9 | Confident | 88 | Confident | 39 Ų | 39 | 40 Ų | 40 | 40% | 0.402 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 8.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q61 | Q61-G63 PolarHBondContact O-N 2.73Š|
| 64 | L | 91.7 | Very high | 87.8 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 151.4 | -175.4 | -56.5 | 166.8 | 0 | 0 | 0 | 111.3 | I8 L9 L16 R60 Q61 G62 E99 I102 | I8-L64 HydrophobicContact CG2-CB 4.25Å; I8-L64 HydrophobicContact CG2-CD1 4.44Å; L9-L64 WeakPolarHBondContact O-CA 3.41Å; L16-L64 HydrophobicContact CD1-CD2 3.67Å; R60-L64 WeakPolarHBondContact CA-O 3.46Å; Q61-L64 PolarHBondContact N-O 3.01Å; Q61-L64 VanDerWaalsContact N-O 3.13Å; Q61-L64 WeakPolarHBondContact O-CB 3.31Å; Q61-L64 PolarHBondContact O-N 2.8Å; G62-L64 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 2.89Å; L64-E99 HydrophobicContact CD2-CB 4.11Å; L64-I102 HydrophobicContact CD1-CD1 3.3Å; L64-I102 HydrophobicContact CD1-CG1 4.13Å |
| 65 | Y | 92.8 | Very high | 87.8 | Confident | 21 Ų | 21 | 34.7 Ų | 34.7 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.3 | 169.3 | -66 | -75.1 | 0 | 0 | 0 | 109.5 | I8 L9 F33 V37 | I8-Y65 CarbonylContact C-O 3.59Å; I8-Y65 VanDerWaalsContact CA-O 3.28Å; I8-Y65 WeakPolarHBondContact CA-O 3.43Å; L9-Y65 PolarHBondContact N-O 2.84Å; L9-Y65 PolarHBondContact O-N 3.29Å; F33-Y65 HydrophobicContact CE1-CG 4.42Å; V37-Y65 HydrophobicContact CG2-CE1 4.08Å |
| 66 | W | 94.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.8 | 172.6 | -59.9 | 71.7 | 0 | 0 | 0 | 107.2 | I8 H58 I59 Q61 L83 L86 V90 L97 I102 | I8-W66 HydrophobicContact CD1-CD2 4.38Å; I8-W66 HydrophobicContact CD1-CE3 3.71Å; I8-W66 HydrophobicContact CD1-CH2 3.69Å; I8-W66 HydrophobicContact CD1-CZ2 4.35Å; I8-W66 HydrophobicContact CD1-CZ3 3.34Å; I8-W66 HydrophobicContact CG1-CD2 4.31Å; I8-W66 HydrophobicContact CG1-CE3 3.87Å; I8-W66 HydrophobicContact CG1-CZ3 4.04Å; H58-W66 CarbonylContact C-O 3.47Å; H58-W66 WeakPolarHBondContact CA-O 3.37Å; H58-W66 WeakPolarHBondContact CB-O 3.19Å; I59-W66 HydrophobicContact CD1-CB 4.37Å; I59-W66 HydrophobicContact CG1-CB 3.67Å; I59-W66 HydrophobicContact CG1-CG 4.14Å; I59-W66 PolarHBondContact N-O 2.75Å; I59-W66 PolarHBondContact O-N 3.32Å; Q61-W66 PolarHBondContact O-NE1 2.9Å; W66-L83 HydrophobicContact CB-CD2 4.34Å; W66-L86 HydrophobicContact CE3-CD2 4.21Å; W66-L86 HydrophobicContact CE3-CG 4.42Å; W66-L86 HydrophobicContact CZ3-CD2 4.14Å; W66-L86 HydrophobicContact CZ3-CG 4.02Å; W66-V90 HydrophobicContact CH2-CB 3.84Å; W66-V90 HydrophobicContact CH2-CG1 4.08Å; W66-V90 HydrophobicContact CH2-CG2 3.84Å; W66-V90 HydrophobicContact CZ3-CG2 4.11Å; W66-L97 HydrophobicContact CH2-CD2 4.3Å; W66-L97 HydrophobicContact CZ2-CD2 3.88Å; W66-I102 HydrophobicContact CH2-CD1 4.47Å; W66-I102 HydrophobicContact CZ2-CD1 4.3Å |
| 67 | V | 94.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.2 | -169.1 | -166.3 | 0 | 0 | 0 | 0 | 109.6 | L6 F7 F33 F56 V57 H58 | L6-V67 WeakPolarHBondContact CA-O 3.35Å; F7-V67 HydrophobicContact CD1-CB 4.39Å; F7-V67 HydrophobicContact CD2-CB 3.72Å; F7-V67 HydrophobicContact CD2-CG1 4.43Å; F7-V67 HydrophobicContact CD2-CG2 3.92Å; F7-V67 HydrophobicContact CE1-CB 4.08Å; F7-V67 HydrophobicContact CE1-CG1 3.92Å; F7-V67 HydrophobicContact CE2-CB 3.37Å; F7-V67 HydrophobicContact CE2-CG1 3.63Å; F7-V67 HydrophobicContact CE2-CG2 3.52Å; F7-V67 HydrophobicContact CG-CB 4.23Å; F7-V67 HydrophobicContact CZ-CB 3.57Å; F7-V67 HydrophobicContact CZ-CG1 3.33Å; F7-V67 HydrophobicContact CZ-CG2 4.16Å; F7-V67 PolarHBondContact N-O 2.82Å; F7-V67 PolarHBondContact O-N 2.79Å; F33-V67 HydrophobicContact CD1-CG2 3.99Å; F33-V67 HydrophobicContact CD2-CG1 3.8Å; F33-V67 HydrophobicContact CD2-CG2 4.42Å; F33-V67 HydrophobicContact CE1-CG2 3.47Å; F33-V67 VanDerWaalsContact CE1-CG2 3.47Å; F33-V67 HydrophobicContact CE2-CG1 3.72Å; F33-V67 HydrophobicContact CE2-CG2 3.92Å; F33-V67 HydrophobicContact CG-CG1 4.25Å; F33-V67 HydrophobicContact CG-CG2 4.44Å; F33-V67 HydrophobicContact CZ-CB 4.45Å; F33-V67 HydrophobicContact CZ-CG1 4.14Å; F33-V67 HydrophobicContact CZ-CG2 3.43Å; F33-V67 VanDerWaalsContact CZ-CG2 3.43Å; F56-V67 HydrophobicContact CB-CG1 4.45Å; F56-V67 HydrophobicContact CD1-CG1 4.16Å; V57-V67 WeakPolarHBondContact O-CA 3.26Å; H58-V67 HydrophobicContact CB-CB 4.35Å; H58-V67 HydrophobicContact CB-CG1 4.21Å; H58-V67 HydrophobicContact CB-CG2 3.94Å |
| 68 | A | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I3 Q5 L6 V57 I79 L83 | I3-A68 HydrophobicContact CD1-CB 4.48Å; I3-A68 HydrophobicContact CG1-CB 4.44Å; I3-A68 HydrophobicContact CG2-CB 4.01Å; Q5-A68 CarbonylContact O-C 3.53Å; Q5-A68 VanDerWaalsContact O-CA 3.29Å; Q5-A68 WeakPolarHBondContact O-CA 3.44Å; L6-A68 HydrophobicContact CD1-CB 4.09Å; V57-A68 PolarHBondContact N-O 2.94Å; V57-A68 PolarHBondContact O-N 2.98Å; A68-I79 HydrophobicContact CB-CG2 3.52Å; A68-L83 HydrophobicContact CB-CD1 4.28Å; A68-L83 HydrophobicContact CB-CD2 4.12Å; A68-L83 HydrophobicContact CB-CG 4.45Å |
| 69 | T | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 144.6 | 170.8 | 60.1 | 0 | 0 | 0 | 0 | 110.5 | S4 Q5 F7 V29 H55 F56 | S4-T69 PolarHBondContact N-O 3.26Å; Q5-T69 VanDerWaalsContact CB-OG1 3.29Å; Q5-T69 WeakPolarHBondContact CB-OG1 3.24Å; Q5-T69 PolarHBondContact N-OG1 3.37Å; Q5-T69 PolarHBondContact O-N 3.24Å; Q5-T69 PolarHBondContact OE1-OG1 2.87Å; F7-T69 HydrophobicContact CE1-CG2 4Å; V29-T69 HydrophobicContact CG1-CG2 3.73Å; H55-T69 CarbonylContact O-C 3.49Å; H55-T69 VanDerWaalsContact O-CA 3.31Å; H55-T69 WeakPolarHBondContact O-CA 3.37Å; F56-T69 HydrophobicContact CD1-CG2 3.62Å; F56-T69 HydrophobicContact CE1-CG2 3.74Å |
| 70 | T | 89.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.9 | 175.6 | -165.3 | 0 | 0 | 0 | 0 | 110.6 | M2 H55 V57 S74 I79 | M2-T70 WeakPolarHBondContact O-CB 2.8Å; M2-T70 PolarHBondContact O-OG1 2.83Å; H55-T70 HydrophobicContact CB-CG2 4.01Å; H55-T70 PolarHBondContact N-O 3.04Å; H55-T70 PolarHBondContact O-N 3.32Å; V57-T70 HydrophobicContact CG2-CG2 4.42Å; T70-S74 WeakPolarHBondContact OG1-CB 3.18Å; T70-S74 PolarHBondContact OG1-OG 3.38Å; T70-I79 HydrophobicContact CG2-CD1 3.44Å; T70-I79 VanDerWaalsContact CG2-CD1 3.44Å |
| 71 | T | 83.2 | Confident | 87.3 | Confident | 43 Ų | 43 | 43 Ų | 43 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | trans | -87.6 | 170 | 168.5 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | L54 D73 S74 | L54-T71 HydrophobicContact CD2-CG2 4.49Å; T71-D73 PolarHBondContact O-N 2.97Å; T71-S74 PolarHBondContact O-N 3.48Å | ||
| 72 | A | 68.6 | Low | 87.6 | Confident | 75 Ų | 75 | 40.7 Ų | 40.7 | 62% | 0.62 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -12.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 73 | D | 72.6 | Confident | 88.1 | Confident | 156 Ų | 156 | 38.5 Ų | 38.5 | 83% | 0.834 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.2 | -172.8 | -61.7 | -31.9 | 0 | 0 | 0 | 114.6 | T71 | T71-D73 PolarHBondContact O-N 2.97Š|
| 74 | S | 79.1 | Confident | 88.3 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -102.2 | 136.4 | -178.8 | -65.5 | 0 | 0 | 0 | 0 | 113.3 | M2 T70 T71 P76 | M2-S74 PolarHBondContact N-OG 3.46Å; T70-S74 WeakPolarHBondContact OG1-CB 3.18Å; T70-S74 PolarHBondContact OG1-OG 3.38Å; T71-S74 PolarHBondContact O-N 3.48Å; S74-P76 VanDerWaalsContact O-CD 3.26Å; S74-P76 WeakPolarHBondContact O-CD 3.17Å |
| 75 | S | 85.3 | Confident | 88.2 | Confident | 56 Ų | 56 | 45 Ų | 45 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | trans | -62 | 119.9 | 171.1 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | F77 S78 | S75-F77 PolarHBondContact O-N 3.1Å; S75-S78 PolarHBondContact O-N 2.88Å | ||
| 76 | P | 87.4 | Confident | 88.3 | Confident | 45 Ų | 45 | 44 Ų | 44 | 29% | 0.292 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.7 | -30.9 | 177.1 | -24.1 | 34.5 | 0 | 0 | 0 | 112.7 | V48 V57 S74 S78 I79 I80 | V48-P76 HydrophobicContact CG2-CB 3.69Å; V48-P76 HydrophobicContact CG2-CG 4.27Å; V57-P76 HydrophobicContact CG2-CB 4.31Å; S74-P76 VanDerWaalsContact O-CD 3.26Å; S74-P76 WeakPolarHBondContact O-CD 3.17Å; P76-S78 PolarHBondContact O-N 3.4Å; P76-I79 PolarHBondContact O-N 3.22Å; P76-I80 VanDerWaalsContact O-CG1 3.26Å; P76-I80 WeakPolarHBondContact O-CG1 3.48Å; P76-I80 PolarHBondContact O-N 3.29Å |
| 77 | F | 88.9 | Confident | 88.2 | Confident | 165 Ų | 165 | 44 Ų | 44 | 72% | 0.724 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.1 | -41.8 | 179.8 | -66.9 | -76.4 | 0 | 0 | 0 | 112.7 | S75 I79 I80 E81 | S75-F77 PolarHBondContact O-N 3.1Å; F77-I79 VanDerWaalsContact C-N 3.29Å; F77-I79 PolarHBondContact O-N 2.79Å; F77-I80 PolarHBondContact O-N 2.69Å; F77-E81 WeakPolarHBondContact O-CB 3.29Å; F77-E81 PolarHBondContact O-N 3.21Å |
| 78 | S | 88.7 | Confident | 87.9 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 33% | 0.329 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.6 | -34.4 | 178.5 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | M1 S75 P76 F82 | M1-S78 WeakPolarHBondContact CE-O 3.26Å; M1-S78 WeakPolarHBondContact SD-CB 3.29Å; S75-S78 PolarHBondContact O-N 2.88Å; P76-S78 PolarHBondContact O-N 3.4Å; S78-F82 VanDerWaalsContact O-CB 3.27Å; S78-F82 WeakPolarHBondContact O-CB 3.21Å; S78-F82 PolarHBondContact O-N 2.84Å |
| 79 | I | 92.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.5 | -42.6 | 175.3 | -60.6 | 166.8 | 0 | 0 | 0 | 110.6 | M1 I3 V57 A68 T70 P76 F77 E81 F82 L83 | M1-I79 HydrophobicContact CE-CB 4.31Å; M1-I79 HydrophobicContact CE-CG1 3.8Å; M1-I79 HydrophobicContact CG-CG1 4.32Å; I3-I79 HydrophobicContact CG1-CG1 4.26Å; V57-I79 HydrophobicContact CB-CB 4.32Å; V57-I79 HydrophobicContact CB-CG2 3.74Å; V57-I79 HydrophobicContact CG1-CB 4.07Å; V57-I79 HydrophobicContact CG1-CG2 3.77Å; V57-I79 HydrophobicContact CG2-CB 4.44Å; V57-I79 HydrophobicContact CG2-CD1 4.11Å; V57-I79 HydrophobicContact CG2-CG2 4.26Å; A68-I79 HydrophobicContact CB-CG2 3.52Å; T70-I79 HydrophobicContact CG2-CD1 3.44Å; T70-I79 VanDerWaalsContact CG2-CD1 3.44Å; P76-I79 PolarHBondContact O-N 3.22Å; F77-I79 VanDerWaalsContact C-N 3.29Å; F77-I79 PolarHBondContact O-N 2.79Å; I79-E81 PolarHBondContact O-N 3.44Å; I79-F82 WeakPolarHBondContact O-CB 3.32Å; I79-F82 PolarHBondContact O-N 2.91Å; I79-L83 HydrophobicContact CG2-CD1 4.18Å; I79-L83 HydrophobicContact CG2-CG 4.34Å; I79-L83 VanDerWaalsContact O-CG 3.29Å; I79-L83 WeakPolarHBondContact O-CG 3.21Å; I79-L83 PolarHBondContact O-N 3.24Å |
| 80 | I | 92.2 | Very high | 87.6 | Confident | 38 Ų | 38 | 45.6 Ų | 45.6 | 20% | 0.195 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 175.2 | -66.8 | 160.7 | 0 | 0 | 0 | 110.4 | V47 V57 I59 P76 F77 F82 L83 N84 | V47-I80 HydrophobicContact CG1-CD1 3.47Å; V47-I80 VanDerWaalsContact CG1-CD1 3.47Å; V47-I80 HydrophobicContact CG1-CG1 3.76Å; V57-I80 HydrophobicContact CG1-CD1 4.33Å; V57-I80 HydrophobicContact CG1-CG1 3.52Å; I59-I80 HydrophobicContact CG2-CG2 4.09Å; P76-I80 VanDerWaalsContact O-CG1 3.26Å; P76-I80 WeakPolarHBondContact O-CG1 3.48Å; P76-I80 PolarHBondContact O-N 3.29Å; F77-I80 PolarHBondContact O-N 2.69Å; I80-F82 VanDerWaalsContact C-N 3.33Å; I80-F82 PolarHBondContact O-N 2.91Å; I80-L83 PolarHBondContact O-N 3.43Å; I80-N84 WeakPolarHBondContact CG2-ND2 3.27Å; I80-N84 PolarHBondContact O-N 2.84Å; I80-N84 PolarHBondContact O-ND2 2.69Å |
| 81 | E | 89.4 | Confident | 87.5 | Confident | 100 Ų | 100 | 48.3 Ų | 48.3 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 176.8 | -176.4 | -178 | -179.8 | 0 | 0 | 111 | F77 I79 L83 N84 R85 | F77-E81 WeakPolarHBondContact O-CB 3.29Å; F77-E81 PolarHBondContact O-N 3.21Å; I79-E81 PolarHBondContact O-N 3.44Å; E81-L83 PolarHBondContact O-N 2.9Å; E81-N84 PolarHBondContact O-N 3.16Å; E81-R85 WeakPolarHBondContact O-CG 3.42Å; E81-R85 PolarHBondContact O-N 3.11Å; E81-R85 IonicContact OE1-CZ 3.64Å; E81-R85 VanDerWaalsContact OE1-CZ 3.3Å; E81-R85 IonicContact OE1-NE 2.84Å; E81-R85 PolarHBondContact OE1-NE 3.13Å; E81-R85 IonicContact OE1-NH2 2.78Å; E81-R85 PolarHBondContact OE1-NH2 3.39Å |
| 82 | F | 92.9 | Very high | 87.5 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 176.9 | 168.6 | -102.8 | 0 | 0 | 0 | 112.7 | M1 I3 L6 S78 I79 I80 N84 R85 L86 V116 L117 V122 T125 | M1-F82 HydrophobicContact CE-CB 3.69Å; M1-F82 HydrophobicContact CE-CG 4.12Å; I3-F82 HydrophobicContact CD1-CD1 3.44Å; I3-F82 VanDerWaalsContact CD1-CD1 3.44Å; I3-F82 HydrophobicContact CD1-CE1 3.66Å; I3-F82 HydrophobicContact CD1-CG 4.18Å; L6-F82 HydrophobicContact CD1-CE1 4.2Å; S78-F82 VanDerWaalsContact O-CB 3.27Å; S78-F82 WeakPolarHBondContact O-CB 3.21Å; S78-F82 PolarHBondContact O-N 2.84Å; I79-F82 WeakPolarHBondContact O-CB 3.32Å; I79-F82 PolarHBondContact O-N 2.91Å; I80-F82 VanDerWaalsContact C-N 3.33Å; I80-F82 PolarHBondContact O-N 2.91Å; F82-N84 VanDerWaalsContact C-N 3.3Å; F82-N84 PolarHBondContact O-N 3Å; F82-R85 PolarHBondContact O-N 3.31Å; F82-R85 VanDerWaalsContact O-N 3.15Å; F82-L86 HydrophobicContact CE1-CD2 4.18Å; F82-L86 HydrophobicContact CZ-CB 4.31Å; F82-L86 HydrophobicContact CZ-CD2 4.17Å; F82-L86 WeakPolarHBondContact O-CB 3.44Å; F82-L86 PolarHBondContact O-N 2.91Å; F82-V116 HydrophobicContact CE2-CG1 3.41Å; F82-V116 VanDerWaalsContact CE2-CG1 3.41Å; F82-V116 HydrophobicContact CZ-CG1 3.85Å; F82-L117 HydrophobicContact CE1-CD1 3.7Å; F82-L117 HydrophobicContact CE1-CD2 4.37Å; F82-L117 HydrophobicContact CE1-CG 4.24Å; F82-L117 HydrophobicContact CE2-CD1 4.43Å; F82-L117 HydrophobicContact CE2-CD2 4.22Å; F82-L117 HydrophobicContact CE2-CG 4.11Å; F82-L117 HydrophobicContact CZ-CD1 3.42Å; F82-L117 VanDerWaalsContact CZ-CD1 3.42Å; F82-L117 HydrophobicContact CZ-CD2 3.91Å; F82-L117 HydrophobicContact CZ-CG 3.54Å; F82-V122 HydrophobicContact CB-CG2 4.32Å; F82-V122 HydrophobicContact CD2-CB 4.23Å; F82-V122 HydrophobicContact CD2-CG1 3.72Å; F82-V122 HydrophobicContact CD2-CG2 3.4Å; F82-V122 HydrophobicContact CE2-CB 4.48Å; F82-V122 HydrophobicContact CE2-CG1 3.97Å; F82-V122 HydrophobicContact CE2-CG2 3.8Å; F82-V122 HydrophobicContact CG-CG2 3.82Å; F82-T125 HydrophobicContact CD2-CG2 4.17Å; F82-T125 HydrophobicContact CE2-CG2 4.2Å |
| 83 | L | 94.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 179 | -70 | 174.3 | 0 | 0 | 0 | 111.6 | L6 I59 W66 A68 I79 I80 E81 L86 S87 | L6-L83 HydrophobicContact CD1-CD2 3.49Å; L6-L83 VanDerWaalsContact CD1-CD2 3.49Å; I59-L83 VanDerWaalsContact CD1-C 3.4Å; I59-L83 HydrophobicContact CD1-CB 3.63Å; I59-L83 HydrophobicContact CG1-CB 3.86Å; I59-L83 HydrophobicContact CG1-CD1 4.49Å; I59-L83 HydrophobicContact CG2-CB 4.37Å; I59-L83 HydrophobicContact CG2-CD1 4.47Å; W66-L83 HydrophobicContact CB-CD2 4.34Å; A68-L83 HydrophobicContact CB-CD1 4.28Å; A68-L83 HydrophobicContact CB-CD2 4.12Å; A68-L83 HydrophobicContact CB-CG 4.45Å; I79-L83 HydrophobicContact CG2-CD1 4.18Å; I79-L83 HydrophobicContact CG2-CG 4.34Å; I79-L83 VanDerWaalsContact O-CG 3.29Å; I79-L83 WeakPolarHBondContact O-CG 3.21Å; I79-L83 PolarHBondContact O-N 3.24Å; I80-L83 PolarHBondContact O-N 3.43Å; E81-L83 PolarHBondContact O-N 2.9Å; L83-L86 PolarHBondContact O-N 3.2Å; L83-S87 PolarHBondContact O-N 2.96Å; L83-S87 PolarHBondContact O-OG 3.42Å |
| 84 | N | 91.3 | Very high | 88.9 | Confident | 65 Ų | 65 | 36.2 Ų | 36.2 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.7 | -36.5 | 176.6 | -75.8 | -67.3 | 0 | 0 | 0 | 112.1 | I59 Q61 I80 E81 F82 S87 G88 | I59-N84 HydrophobicContact CD1-CB 4.28Å; I59-N84 WeakPolarHBondContact CD1-OD1 3.44Å; Q61-N84 PolarHBondContact NE2-OD1 3.47Å; I80-N84 WeakPolarHBondContact CG2-ND2 3.27Å; I80-N84 PolarHBondContact O-N 2.84Å; I80-N84 PolarHBondContact O-ND2 2.69Å; E81-N84 PolarHBondContact O-N 3.16Å; F82-N84 VanDerWaalsContact C-N 3.3Å; F82-N84 PolarHBondContact O-N 3Å; N84-S87 PolarHBondContact O-OG 2.75Å; N84-G88 PolarHBondContact O-N 2.94Å |
| 85 | R | 89.8 | Confident | 88.9 | Confident | 111 Ų | 111 | 35.8 Ų | 35.8 | 42% | 0.419 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -69.3 | -42.6 | 173.9 | -70.3 | -175.3 | -174.4 | -160.6 | 2.6 | 111.4 | E81 F82 G88 L89 T125 | E81-R85 WeakPolarHBondContact O-CG 3.42Å; E81-R85 PolarHBondContact O-N 3.11Å; E81-R85 IonicContact OE1-CZ 3.64Å; E81-R85 VanDerWaalsContact OE1-CZ 3.3Å; E81-R85 IonicContact OE1-NE 2.84Å; E81-R85 PolarHBondContact OE1-NE 3.13Å; E81-R85 IonicContact OE1-NH2 2.78Å; E81-R85 PolarHBondContact OE1-NH2 3.39Å; F82-R85 PolarHBondContact O-N 3.31Å; F82-R85 VanDerWaalsContact O-N 3.15Å; R85-G88 WeakPolarHBondContact O-CA 2.73Å; R85-G88 PolarHBondContact O-N 2.99Å; R85-L89 WeakPolarHBondContact O-CG 3.45Å; R85-L89 PolarHBondContact O-N 3.26Å; R85-T125 PolarHBondContact NH1-OG1 3.47Å |
| 86 | L | 93.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 178.6 | 177.6 | 66.2 | 0 | 0 | 0 | 111.7 | L6 W66 F82 L83 G88 L89 V90 L113 V116 | L6-L86 HydrophobicContact CD1-CD2 4.21Å; L6-L86 HydrophobicContact CD2-CD2 3.59Å; L6-L86 HydrophobicContact CG-CD2 4.48Å; W66-L86 HydrophobicContact CE3-CD2 4.21Å; W66-L86 HydrophobicContact CE3-CG 4.42Å; W66-L86 HydrophobicContact CZ3-CD2 4.14Å; W66-L86 HydrophobicContact CZ3-CG 4.02Å; F82-L86 HydrophobicContact CE1-CD2 4.18Å; F82-L86 HydrophobicContact CZ-CB 4.31Å; F82-L86 HydrophobicContact CZ-CD2 4.17Å; F82-L86 WeakPolarHBondContact O-CB 3.44Å; F82-L86 PolarHBondContact O-N 2.91Å; L83-L86 PolarHBondContact O-N 3.2Å; L86-G88 VanDerWaalsContact C-N 3.3Å; L86-G88 PolarHBondContact O-N 3.19Å; L86-L89 WeakPolarHBondContact O-CB 3.45Å; L86-L89 PolarHBondContact O-N 2.97Å; L86-V90 HydrophobicContact CD1-CG2 4.49Å; L86-V90 WeakPolarHBondContact O-CG2 3.29Å; L86-V90 PolarHBondContact O-N 3.37Å; L86-L113 HydrophobicContact CD1-CD2 3.81Å; L86-L113 HydrophobicContact CD2-CD2 3.8Å; L86-L113 HydrophobicContact CG-CD2 4.44Å; L86-V116 HydrophobicContact CD1-CG1 4.5Å |
| 87 | S | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 175.2 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | Q61 L83 N84 V90 K91 L97 | Q61-S87 PolarHBondContact NE2-OG 2.66Å; Q61-S87 VanDerWaalsContact OE1-CB 3.28Å; Q61-S87 PolarHBondContact OE1-OG 2.8Å; L83-S87 PolarHBondContact O-N 2.96Å; L83-S87 PolarHBondContact O-OG 3.42Å; N84-S87 PolarHBondContact O-OG 2.75Å; S87-V90 PolarHBondContact O-N 2.83Å; S87-K91 WeakPolarHBondContact O-CB 3.2Å; S87-K91 PolarHBondContact O-N 2.83Å; S87-L97 WeakPolarHBondContact O-CD1 3.22Å; S87-L97 WeakPolarHBondContact O-CD2 3.27Å |
| 88 | G | 88.1 | Confident | 88.9 | Confident | 28 Ų | 28 | 28.3 Ų | 28.3 | 29% | 0.289 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -57.3 | -49 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N84 R85 L86 V90 K91 D92 | N84-G88 PolarHBondContact O-N 2.94Å; R85-G88 WeakPolarHBondContact O-CA 2.73Å; R85-G88 PolarHBondContact O-N 2.99Å; L86-G88 VanDerWaalsContact C-N 3.3Å; L86-G88 PolarHBondContact O-N 3.19Å; G88-V90 PolarHBondContact O-N 3.17Å; G88-K91 VanDerWaalsContact O-CB 3.31Å; G88-K91 WeakPolarHBondContact O-CB 3.24Å; G88-K91 PolarHBondContact O-N 2.78Å; G88-K91 VanDerWaalsContact O-N 3.15Å; G88-D92 WeakPolarHBondContact O-CB 3.24Å; G88-D92 PolarHBondContact O-N 2.81Å |
| 89 | L | 89 | Confident | 89 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 176.4 | -73.7 | 170.2 | 0 | 0 | 0 | 112.1 | R85 L86 K91 D92 Y93 V116 S127 L130 | R85-L89 WeakPolarHBondContact O-CG 3.45Å; R85-L89 PolarHBondContact O-N 3.26Å; L86-L89 WeakPolarHBondContact O-CB 3.45Å; L86-L89 PolarHBondContact O-N 2.97Å; L89-K91 VanDerWaalsContact C-N 3.28Å; L89-K91 PolarHBondContact O-N 2.79Å; L89-D92 WeakPolarHBondContact O-CB 3.29Å; L89-D92 PolarHBondContact O-N 2.95Å; L89-Y93 VanDerWaalsContact O-CD2 3.3Å; L89-Y93 WeakPolarHBondContact O-CD2 3.43Å; L89-Y93 PolarHBondContact O-N 3.21Å; L89-V116 HydrophobicContact CD1-CG2 3.97Å; L89-S127 WeakPolarHBondContact CD2-OG 3.48Å; L89-L130 HydrophobicContact CD1-CD1 3.94Å; L89-L130 HydrophobicContact CD2-CD1 3.92Å |
| 90 | V | 90.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | W66 L86 S87 G88 C94 L97 I109 | W66-V90 HydrophobicContact CH2-CB 3.84Å; W66-V90 HydrophobicContact CH2-CG1 4.08Å; W66-V90 HydrophobicContact CH2-CG2 3.84Å; W66-V90 HydrophobicContact CZ3-CG2 4.11Å; L86-V90 HydrophobicContact CD1-CG2 4.49Å; L86-V90 WeakPolarHBondContact O-CG2 3.29Å; L86-V90 PolarHBondContact O-N 3.37Å; S87-V90 PolarHBondContact O-N 2.83Å; G88-V90 PolarHBondContact O-N 3.17Å; V90-C94 WeakPolarHBondContact O-CB 3.06Å; V90-C94 PolarHBondContact O-N 2.94Å; V90-C94 PolarHBondContact O-SG 2.69Å; V90-C94 VanDerWaalsContact O-SG 3.42Å; V90-L97 HydrophobicContact CB-CD2 4.13Å; V90-L97 HydrophobicContact CG1-CD2 3.91Å; V90-I109 HydrophobicContact CG1-CD1 3.93Å; V90-I109 HydrophobicContact CG1-CG1 4.11Å; V90-I109 HydrophobicContact CG2-CG1 4.41Å |
| 91 | K | 87.1 | Confident | 88.7 | Confident | 59 Ų | 59 | 33.1 Ų | 33.1 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 174 | -166.4 | -171.6 | 175.4 | -151.4 | 0 | 112.1 | S87 G88 L89 G95 L97 E277 | S87-K91 WeakPolarHBondContact O-CB 3.2Å; S87-K91 PolarHBondContact O-N 2.83Å; G88-K91 VanDerWaalsContact O-CB 3.31Å; G88-K91 WeakPolarHBondContact O-CB 3.24Å; G88-K91 PolarHBondContact O-N 2.78Å; G88-K91 VanDerWaalsContact O-N 3.15Å; L89-K91 VanDerWaalsContact C-N 3.28Å; L89-K91 PolarHBondContact O-N 2.79Å; K91-G95 CarbonylContact O-C 3.59Å; K91-G95 VanDerWaalsContact O-C 3.31Å; K91-G95 WeakPolarHBondContact O-CA 3.36Å; K91-G95 PolarHBondContact O-N 2.84Å; K91-L97 HydrophobicContact CB-CD1 3.99Å; K91-L97 HydrophobicContact CB-CD2 4.02Å; K91-L97 HydrophobicContact CB-CG 3.65Å; K91-L97 HydrophobicContact CD-CD1 4.46Å; K91-L97 HydrophobicContact CD-CG 4.48Å; K91-L97 HydrophobicContact CG-CD1 4.38Å; K91-L97 HydrophobicContact CG-CG 3.94Å; K91-E277 IonicContact NZ-OE1 3.32Å; K91-E277 IonicContact NZ-OE2 2.65Å; K91-E277 PolarHBondContact NZ-OE2 2.99Å |
| 92 | D | 83.5 | Confident | 88.8 | Confident | 15 Ų | 15 | 28.4 Ų | 28.4 | 8% | 0.08 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 179.7 | -93.9 | 1.2 | 0 | 0 | 0 | 111.6 | G88 L89 S127 I174 H278 | G88-D92 WeakPolarHBondContact O-CB 3.24Å; G88-D92 PolarHBondContact O-N 2.81Å; L89-D92 WeakPolarHBondContact O-CB 3.29Å; L89-D92 PolarHBondContact O-N 2.95Å; D92-S127 PolarHBondContact OD2-OG 2.73Å; D92-I174 HydrophobicContact CB-CD1 3.43Å; D92-I174 VanDerWaalsContact CB-CD1 3.43Å; D92-I174 HydrophobicContact CB-CG1 4.27Å; D92-I174 WeakPolarHBondContact O-CG1 3.22Å; D92-I174 PolarHBondContact O-N 3.11Å; D92-H278 IonicContact OD2-CE1 3.39Å |
| 93 | Y | 84.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -77.9 | -42.1 | -179.8 | -82.5 | -102.8 | 0 | 0 | 0 | 112.6 | L89 L108 L112 S127 L130 K131 I134 A138 P173 Q175 | L89-Y93 VanDerWaalsContact O-CD2 3.3Å; L89-Y93 WeakPolarHBondContact O-CD2 3.43Å; L89-Y93 PolarHBondContact O-N 3.21Å; Y93-L108 HydrophobicContact CD1-CD1 4.07Å; Y93-L112 HydrophobicContact CD1-CD1 4.39Å; Y93-L112 HydrophobicContact CD1-CD2 4.27Å; Y93-L112 HydrophobicContact CD2-CD1 4.26Å; Y93-L112 HydrophobicContact CD2-CD2 4.05Å; Y93-L112 HydrophobicContact CE1-CD2 4.11Å; Y93-L112 HydrophobicContact CE2-CD2 3.9Å; Y93-L112 HydrophobicContact CG-CD1 3.96Å; Y93-L112 HydrophobicContact CG-CD2 4.23Å; Y93-S127 PolarHBondContact OH-O 3.24Å; Y93-L130 VanDerWaalsContact OH-C 3.23Å; Y93-L130 VanDerWaalsContact OH-CB 3.28Å; Y93-L130 WeakPolarHBondContact OH-CB 3.43Å; Y93-K131 WeakPolarHBondContact OH-CA 3.38Å; Y93-K131 PolarHBondContact OH-N 2.81Å; Y93-I134 HydrophobicContact CD1-CG2 4.39Å; Y93-I134 HydrophobicContact CE1-CB 4.03Å; Y93-I134 HydrophobicContact CE1-CG1 4.01Å; Y93-I134 HydrophobicContact CE1-CG2 3.98Å; Y93-A138 WeakPolarHBondContact O-CB 3.28Å; Y93-P173 WeakPolarHBondContact O-CB 3.33Å; Y93-Q175 HydrophobicContact CD1-CG 4.1Å; Y93-Q175 VanDerWaalsContact CE1-CD 3.49Å; Y93-Q175 HydrophobicContact CE1-CG 4.07Å |
| 94 | C | 85.6 | Confident | 88.5 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -90.1 | -8.4 | -177.5 | -56.5 | 0 | 0 | 0 | 0 | 113.9 | V90 S96 N105 | V90-C94 WeakPolarHBondContact O-CB 3.06Å; V90-C94 PolarHBondContact O-N 2.94Å; V90-C94 PolarHBondContact O-SG 2.69Å; V90-C94 VanDerWaalsContact O-SG 3.42Å; C94-S96 PolarHBondContact O-N 2.9Å; C94-N105 VanDerWaalsContact SG-CB 3.57Å |
| 95 | G | 80.8 | Confident | 88.5 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 78.7 | -23.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K91 T171 | K91-G95 CarbonylContact O-C 3.59Å; K91-G95 VanDerWaalsContact O-C 3.31Å; K91-G95 WeakPolarHBondContact O-CA 3.36Å; K91-G95 PolarHBondContact O-N 2.84Å; G95-T171 WeakPolarHBondContact CA-O 3.33Å; G95-T171 CarbonylContact O-C 3.54Å; G95-T171 VanDerWaalsContact O-CA 3.24Å; G95-T171 WeakPolarHBondContact O-CA 2.94Å |
| 96 | S | 83.9 | Confident | 88.7 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -150.3 | 154.6 | 177.9 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | C94 A101 | C94-S96 PolarHBondContact O-N 2.9Å; S96-A101 WeakPolarHBondContact O-CB 3.32Å |
| 97 | L | 87.2 | Confident | 88.6 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 15% | 0.152 | 19% | 0.194 | C | C | . | . | trans | -103.2 | 100.7 | 172 | -69.1 | 177.3 | 0 | 0 | 0 | 109.4 | Q61 W66 S87 V90 K91 | Q61-L97 HydrophobicContact CB-CD1 4.49Å; W66-L97 HydrophobicContact CH2-CD2 4.3Å; W66-L97 HydrophobicContact CZ2-CD2 3.88Å; S87-L97 WeakPolarHBondContact O-CD1 3.22Å; S87-L97 WeakPolarHBondContact O-CD2 3.27Å; V90-L97 HydrophobicContact CB-CD2 4.13Å; V90-L97 HydrophobicContact CG1-CD2 3.91Å; K91-L97 HydrophobicContact CB-CD1 3.99Å; K91-L97 HydrophobicContact CB-CD2 4.02Å; K91-L97 HydrophobicContact CB-CG 3.65Å; K91-L97 HydrophobicContact CD-CD1 4.46Å; K91-L97 HydrophobicContact CD-CG 4.48Å; K91-L97 HydrophobicContact CG-CD1 4.38Å; K91-L97 HydrophobicContact CG-CG 3.94Å | ||
| 98 | S | 89.4 | Confident | 88.5 | Confident | 41 Ų | 41 | 36.2 Ų | 36.2 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -150.8 | 159.5 | 172.9 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | K100 A101 I102 | S98-K100 VanDerWaalsContact C-N 3.26Å; S98-K100 PolarHBondContact O-N 3.24Å; S98-A101 WeakPolarHBondContact O-CB 3.28Å; S98-A101 PolarHBondContact O-N 3.2Å; S98-A101 WeakPolarHBondContact OG-CB 3.34Å; S98-A101 PolarHBondContact OG-N 3.02Å; S98-I102 PolarHBondContact O-N 3.41Å; S98-I102 VanDerWaalsContact O-N 3.07Å |
| 99 | E | 90.6 | Very high | 88.8 | Confident | 63 Ų | 63 | 34.9 Ų | 34.9 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -52.4 | -46.1 | 175.4 | -174 | 180 | 149.2 | 0 | 0 | 111.9 | L16 L64 A101 I102 Q103 | L16-E99 HydrophobicContact CD1-CB 4.5Å; L16-E99 HydrophobicContact CD1-CG 3.97Å; L16-E99 HydrophobicContact CD2-CG 3.96Å; L64-E99 HydrophobicContact CD2-CB 4.11Å; E99-A101 PolarHBondContact O-N 2.89Å; E99-I102 PolarHBondContact O-N 2.65Å; E99-Q103 WeakPolarHBondContact O-CG 3.35Å; E99-Q103 PolarHBondContact O-N 3.15Å; E99-Q103 PolarHBondContact OE1-NE2 2.81Å |
| 100 | K | 89.1 | Confident | 89.1 | Confident | 120 Ų | 120 | 38.2 Ų | 38.2 | 52% | 0.522 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 176.2 | -175.6 | -179 | 179.6 | -179 | 0 | 112.3 | S98 I102 Q103 M104 | S98-K100 VanDerWaalsContact C-N 3.26Å; S98-K100 PolarHBondContact O-N 3.24Å; K100-I102 VanDerWaalsContact C-N 3.33Å; K100-I102 PolarHBondContact O-N 2.54Å; K100-Q103 PolarHBondContact O-N 2.9Å; K100-M104 HydrophobicContact CD-CE 4.47Å; K100-M104 HydrophobicContact CG-CE 3.93Å; K100-M104 HydrophobicContact CG-SD 4.17Å; K100-M104 WeakPolarHBondContact O-CG 3.43Å; K100-M104 PolarHBondContact O-N 3.02Å |
| 101 | A | 89.4 | Confident | 89.2 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S96 S98 E99 N105 | S96-A101 WeakPolarHBondContact O-CB 3.32Å; S98-A101 WeakPolarHBondContact O-CB 3.28Å; S98-A101 PolarHBondContact O-N 3.2Å; S98-A101 WeakPolarHBondContact OG-CB 3.34Å; S98-A101 PolarHBondContact OG-N 3.02Å; E99-A101 PolarHBondContact O-N 2.89Å; A101-N105 WeakPolarHBondContact O-CB 3.38Å; A101-N105 PolarHBondContact O-N 3.02Å; A101-N105 PolarHBondContact O-ND2 3.33Å |
| 102 | I | 91.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -47.1 | 176.6 | -65.9 | -168.6 | 0 | 0 | 0 | 111.2 | I8 L16 I17 L64 W66 S98 E99 K100 M104 N105 F106 I109 | I8-I102 HydrophobicContact CD1-CD1 4.09Å; I8-I102 HydrophobicContact CG2-CD1 3.71Å; L16-I102 HydrophobicContact CB-CG2 3.89Å; L16-I102 HydrophobicContact CD1-CB 4.45Å; L16-I102 HydrophobicContact CD1-CD1 4.46Å; L16-I102 HydrophobicContact CD1-CG2 4.3Å; I17-I102 HydrophobicContact CD1-CG2 4.35Å; I17-I102 HydrophobicContact CG1-CG2 3.78Å; L64-I102 HydrophobicContact CD1-CD1 3.3Å; L64-I102 HydrophobicContact CD1-CG1 4.13Å; W66-I102 HydrophobicContact CH2-CD1 4.47Å; W66-I102 HydrophobicContact CZ2-CD1 4.3Å; S98-I102 PolarHBondContact O-N 3.41Å; S98-I102 VanDerWaalsContact O-N 3.07Å; E99-I102 PolarHBondContact O-N 2.65Å; K100-I102 VanDerWaalsContact C-N 3.33Å; K100-I102 PolarHBondContact O-N 2.54Å; I102-M104 VanDerWaalsContact C-N 3.3Å; I102-M104 PolarHBondContact O-N 3.18Å; I102-N105 CarbonylContact O-C 3.43Å; I102-N105 PolarHBondContact O-N 2.86Å; I102-N105 VanDerWaalsContact O-N 3.1Å; I102-F106 PolarHBondContact O-N 3.01Å; I102-I109 HydrophobicContact CB-CD1 4.06Å; I102-I109 HydrophobicContact CG1-CD1 3.98Å; I102-I109 HydrophobicContact CG2-CD1 3.85Å |
| 103 | Q | 91.1 | Very high | 90 | Very high | 106 Ų | 106 | 36.5 Ų | 36.5 | 50% | 0.495 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60 | -38.3 | 179.7 | -73.4 | 172.1 | -4.5 | 0 | 0 | 112.8 | L16 E99 K100 N105 | L16-Q103 HydrophobicContact CD2-CG 4.09Å; E99-Q103 WeakPolarHBondContact O-CG 3.35Å; E99-Q103 PolarHBondContact O-N 3.15Å; E99-Q103 PolarHBondContact OE1-NE2 2.81Å; K100-Q103 PolarHBondContact O-N 2.9Å; Q103-N105 VanDerWaalsContact C-N 3.32Å |
| 104 | M | 90.1 | Very high | 90.4 | Very high | 58 Ų | 58 | 41 Ų | 41 | 29% | 0.286 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.9 | -21.6 | 178.1 | -68 | -178.1 | -51.8 | 0 | 0 | 113.4 | K100 I102 V139 | K100-M104 HydrophobicContact CD-CE 4.47Å; K100-M104 HydrophobicContact CG-CE 3.93Å; K100-M104 HydrophobicContact CG-SD 4.17Å; K100-M104 WeakPolarHBondContact O-CG 3.43Å; K100-M104 PolarHBondContact O-N 3.02Å; I102-M104 VanDerWaalsContact C-N 3.3Å; I102-M104 PolarHBondContact O-N 3.18Å; M104-V139 HydrophobicContact CB-CB 4.36Å; M104-V139 HydrophobicContact CB-CG1 4.31Å |
| 105 | N | 91.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 26.3 | -171.2 | -66.8 | -80.8 | 0 | 0 | 0 | 113 | C94 A101 I102 Q103 A107 L108 I109 A138 V139 | C94-N105 VanDerWaalsContact SG-CB 3.57Å; A101-N105 WeakPolarHBondContact O-CB 3.38Å; A101-N105 PolarHBondContact O-N 3.02Å; A101-N105 PolarHBondContact O-ND2 3.33Å; I102-N105 CarbonylContact O-C 3.43Å; I102-N105 PolarHBondContact O-N 2.86Å; I102-N105 VanDerWaalsContact O-N 3.1Å; Q103-N105 VanDerWaalsContact C-N 3.32Å; N105-A107 VanDerWaalsContact C-N 3.31Å; N105-A107 PolarHBondContact O-N 2.86Å; N105-L108 HydrophobicContact CB-CB 4.44Å; N105-L108 PolarHBondContact O-N 3.21Å; N105-I109 HydrophobicContact CB-CD1 4.4Å; N105-I109 WeakPolarHBondContact O-CG1 3.43Å; N105-I109 PolarHBondContact O-N 3.15Å; N105-A138 WeakPolarHBondContact OD1-CA 3.4Å; N105-V139 PolarHBondContact ND2-O 3.17Å; N105-V139 PolarHBondContact OD1-N 2.59Å |
| 106 | F | 92.8 | Very high | 91.3 | Very high | 123 Ų | 123 | 44.1 Ų | 44.1 | 54% | 0.539 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55.4 | -43.7 | -175.8 | 68 | -88.9 | 0 | 0 | 0 | 112.7 | I17 I102 L108 I109 Y110 | I17-F106 HydrophobicContact CD1-CB 4.34Å; I102-F106 PolarHBondContact O-N 3.01Å; F106-L108 PolarHBondContact O-N 3.01Å; F106-I109 PolarHBondContact O-N 3.02Å; F106-Y110 WeakPolarHBondContact O-CD2 3.32Å; F106-Y110 PolarHBondContact O-N 2.95Å |
| 107 | A | 91.5 | Very high | 91.7 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 44% | 0.438 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.4 | -47.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N105 I109 Y110 E111 | N105-A107 VanDerWaalsContact C-N 3.31Å; N105-A107 PolarHBondContact O-N 2.86Å; A107-I109 VanDerWaalsContact C-N 3.33Å; A107-I109 PolarHBondContact O-N 2.81Å; A107-Y110 PolarHBondContact O-N 2.93Å; A107-E111 WeakPolarHBondContact O-CB 3.49Å; A107-E111 PolarHBondContact O-N 2.94Å |
| 108 | L | 91.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 176.4 | 173.1 | 59.7 | 0 | 0 | 0 | 112 | Y93 N105 F106 E111 L112 I134 A138 | Y93-L108 HydrophobicContact CD1-CD1 4.07Å; N105-L108 HydrophobicContact CB-CB 4.44Å; N105-L108 PolarHBondContact O-N 3.21Å; F106-L108 PolarHBondContact O-N 3.01Å; L108-E111 PolarHBondContact O-N 2.97Å; L108-L112 HydrophobicContact CD1-CD1 4.35Å; L108-L112 HydrophobicContact CD1-CG 4.41Å; L108-L112 HydrophobicContact CG-CD1 4.29Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.39Å; L108-L112 PolarHBondContact O-N 2.86Å; L108-I134 HydrophobicContact CD1-CG2 3.36Å; L108-A138 HydrophobicContact CD2-CB 3.86Å |
| 109 | I | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.6 | -42.3 | 178.5 | -66.1 | 169.2 | 0 | 0 | 0 | 110.6 | I17 V90 I102 N105 F106 A107 E111 L112 L113 | I17-I109 HydrophobicContact CD1-CB 4.4Å; I17-I109 HydrophobicContact CD1-CG2 4.1Å; I17-I109 HydrophobicContact CG1-CG2 4.09Å; I17-I109 HydrophobicContact CG2-CG2 4.5Å; V90-I109 HydrophobicContact CG1-CD1 3.93Å; V90-I109 HydrophobicContact CG1-CG1 4.11Å; V90-I109 HydrophobicContact CG2-CG1 4.41Å; I102-I109 HydrophobicContact CB-CD1 4.06Å; I102-I109 HydrophobicContact CG1-CD1 3.98Å; I102-I109 HydrophobicContact CG2-CD1 3.85Å; N105-I109 HydrophobicContact CB-CD1 4.4Å; N105-I109 WeakPolarHBondContact O-CG1 3.43Å; N105-I109 PolarHBondContact O-N 3.15Å; F106-I109 PolarHBondContact O-N 3.02Å; A107-I109 VanDerWaalsContact C-N 3.33Å; A107-I109 PolarHBondContact O-N 2.81Å; I109-E111 VanDerWaalsContact C-N 3.33Å; I109-E111 PolarHBondContact O-N 2.8Å; I109-L112 PolarHBondContact O-N 2.95Å; I109-L113 HydrophobicContact CG2-CD1 4.38Å; I109-L113 HydrophobicContact CG2-CG 4.4Å; I109-L113 WeakPolarHBondContact O-CB 3.37Å; I109-L113 VanDerWaalsContact O-CG 3.25Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.35Å |
| 110 | Y | 94.6 | Very high | 91.7 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 29% | 0.29 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -42 | 175.4 | -82.6 | -66.7 | 0 | 0 | 0 | 112.1 | I17 Y18 K19 F106 A107 L113 D114 | I17-Y110 HydrophobicContact CD1-CD2 4.21Å; I17-Y110 HydrophobicContact CD1-CE2 3.69Å; I17-Y110 HydrophobicContact CG2-CE1 4.12Å; Y18-Y110 PolarHBondContact N-OH 3Å; Y18-Y110 WeakPolarHBondContact O-CE1 3.39Å; Y18-Y110 PolarHBondContact O-OH 2.8Å; K19-Y110 HydrophobicContact CD-CD1 4.4Å; F106-Y110 WeakPolarHBondContact O-CD2 3.32Å; F106-Y110 PolarHBondContact O-N 2.95Å; A107-Y110 PolarHBondContact O-N 2.93Å; Y110-L113 WeakPolarHBondContact O-CB 3.45Å; Y110-L113 PolarHBondContact O-N 3.13Å; Y110-L113 VanDerWaalsContact O-N 3.15Å; Y110-D114 PolarHBondContact O-N 3.22Å; Y110-D114 VanDerWaalsContact O-OD2 3.07Å |
| 111 | E | 93.6 | Very high | 91.7 | Very high | 37 Ų | 37 | 46.1 Ų | 46.1 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 174.8 | -167.5 | -178.6 | -173.7 | 0 | 0 | 111.7 | A107 L108 I109 L113 D114 E115 I134 Q135 S136 | A107-E111 WeakPolarHBondContact O-CB 3.49Å; A107-E111 PolarHBondContact O-N 2.94Å; L108-E111 PolarHBondContact O-N 2.97Å; I109-E111 VanDerWaalsContact C-N 3.33Å; I109-E111 PolarHBondContact O-N 2.8Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.03Å; E111-D114 PolarHBondContact O-N 3.3Å; E111-E115 PolarHBondContact O-N 2.8Å; E111-E115 VanDerWaalsContact O-N 3.15Å; E111-I134 HydrophobicContact CB-CD1 4.33Å; E111-I134 HydrophobicContact CG-CD1 3.76Å; E111-I134 WeakPolarHBondContact OE1-CA 3.48Å; E111-Q135 PolarHBondContact OE1-N 3.04Å; E111-S136 WeakPolarHBondContact OE2-CB 3.39Å; E111-S136 PolarHBondContact OE2-N 3.41Å; E111-S136 PolarHBondContact OE2-OG 2.8Å |
| 112 | L | 92.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 173.2 | -77.9 | 167.3 | 0 | 0 | 0 | 111.8 | Y93 L108 I109 D114 E115 V116 I134 | Y93-L112 HydrophobicContact CD1-CD1 4.39Å; Y93-L112 HydrophobicContact CD1-CD2 4.27Å; Y93-L112 HydrophobicContact CD2-CD1 4.26Å; Y93-L112 HydrophobicContact CD2-CD2 4.05Å; Y93-L112 HydrophobicContact CE1-CD2 4.11Å; Y93-L112 HydrophobicContact CE2-CD2 3.9Å; Y93-L112 HydrophobicContact CG-CD1 3.96Å; Y93-L112 HydrophobicContact CG-CD2 4.23Å; L108-L112 HydrophobicContact CD1-CD1 4.35Å; L108-L112 HydrophobicContact CD1-CG 4.41Å; L108-L112 HydrophobicContact CG-CD1 4.29Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.39Å; L108-L112 PolarHBondContact O-N 2.86Å; I109-L112 PolarHBondContact O-N 2.95Å; L112-D114 VanDerWaalsContact C-N 3.35Å; L112-E115 PolarHBondContact O-N 3.01Å; L112-V116 WeakPolarHBondContact O-CB 3.3Å; L112-V116 WeakPolarHBondContact O-CG2 3.39Å; L112-V116 PolarHBondContact O-N 2.68Å; L112-I134 HydrophobicContact CD2-CD1 3.78Å; L112-I134 HydrophobicContact CD2-CG1 3.77Å; L112-I134 HydrophobicContact CG-CD1 4.08Å; L112-I134 HydrophobicContact CG-CG1 4.42Å |
| 113 | L | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 178.5 | -73.2 | -176.1 | 0 | 0 | 0 | 112.9 | L6 I17 K19 Y21 L86 I109 Y110 E111 L117 | L6-L113 HydrophobicContact CD2-CD1 3.93Å; L6-L113 HydrophobicContact CD2-CD2 3.23Å; L6-L113 HydrophobicContact CD2-CG 4.22Å; I17-L113 HydrophobicContact CG2-CD1 3.69Å; K19-L113 HydrophobicContact CB-CD1 4.39Å; K19-L113 HydrophobicContact CD-CB 3.97Å; K19-L113 HydrophobicContact CD-CD1 4.22Å; Y21-L113 WeakPolarHBondContact OH-CB 3.32Å; Y21-L113 PolarHBondContact OH-O 3.37Å; L86-L113 HydrophobicContact CD1-CD2 3.81Å; L86-L113 HydrophobicContact CD2-CD2 3.8Å; L86-L113 HydrophobicContact CG-CD2 4.44Å; I109-L113 HydrophobicContact CG2-CD1 4.38Å; I109-L113 HydrophobicContact CG2-CG 4.4Å; I109-L113 WeakPolarHBondContact O-CB 3.37Å; I109-L113 VanDerWaalsContact O-CG 3.25Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.35Å; Y110-L113 WeakPolarHBondContact O-CB 3.45Å; Y110-L113 PolarHBondContact O-N 3.13Å; Y110-L113 VanDerWaalsContact O-N 3.15Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.03Å; L113-L117 PolarHBondContact O-N 2.93Å |
| 114 | D | 92.4 | Very high | 91.4 | Very high | 95 Ų | 95 | 52.1 Ų | 52.1 | 51% | 0.508 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 174.1 | -79.2 | -53.7 | 0 | 0 | 0 | 112 | K19 Y110 E111 L112 | K19-D114 WeakPolarHBondContact CE-OD1 3.4Å; K19-D114 VanDerWaalsContact NZ-CA 3.31Å; K19-D114 VanDerWaalsContact NZ-N 3.1Å; K19-D114 IonicContact NZ-OD1 3.7Å; K19-D114 PolarHBondContact NZ-OD1 2.9Å; K19-D114 IonicContact NZ-OD2 3.36Å; K19-D114 PolarHBondContact NZ-OD2 2.74Å; Y110-D114 PolarHBondContact O-N 3.22Å; Y110-D114 VanDerWaalsContact O-OD2 3.07Å; E111-D114 PolarHBondContact O-N 3.3Å; L112-D114 VanDerWaalsContact C-N 3.35Å |
| 115 | E | 92.8 | Very high | 91.1 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -79.5 | -29.8 | -178.6 | -65.9 | -59.8 | 144.3 | 0 | 0 | 113.4 | E111 L112 L130 F133 I134 | E111-E115 PolarHBondContact O-N 2.8Å; E111-E115 VanDerWaalsContact O-N 3.15Å; L112-E115 PolarHBondContact O-N 3.01Å; E115-L130 HydrophobicContact CB-CD2 3.63Å; E115-F133 HydrophobicContact CG-CB 4.05Å; E115-I134 HydrophobicContact CB-CD1 4.32Å; E115-I134 HydrophobicContact CG-CD1 3.82Å |
| 116 | V | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -84.6 | -32.8 | -175.2 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | F82 L86 L89 L112 Q123 M124 T125 L130 | F82-V116 HydrophobicContact CE2-CG1 3.41Å; F82-V116 VanDerWaalsContact CE2-CG1 3.41Å; F82-V116 HydrophobicContact CZ-CG1 3.85Å; L86-V116 HydrophobicContact CD1-CG1 4.5Å; L89-V116 HydrophobicContact CD1-CG2 3.97Å; L112-V116 WeakPolarHBondContact O-CB 3.3Å; L112-V116 WeakPolarHBondContact O-CG2 3.39Å; L112-V116 PolarHBondContact O-N 2.68Å; V116-Q123 PolarHBondContact O-N 3.4Å; V116-M124 WeakPolarHBondContact CG2-O 3.49Å; V116-T125 HydrophobicContact CG1-CG2 3.99Å; V116-L130 HydrophobicContact CG2-CD1 3.7Å; V116-L130 HydrophobicContact CG2-CD2 4.18Å |
| 117 | L | 92.4 | Very high | 90 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.3 | -177.5 | -79.9 | 171.8 | 0 | 0 | 0 | 111 | I3 L6 Y21 F82 L113 Y121 V122 | I3-L117 HydrophobicContact CD1-CD1 4.44Å; I3-L117 HydrophobicContact CD1-CD2 4.09Å; L6-L117 HydrophobicContact CD2-CD1 4.45Å; Y21-L117 HydrophobicContact CD1-CB 4.16Å; Y21-L117 HydrophobicContact CD2-CD1 4.37Å; Y21-L117 HydrophobicContact CE1-CB 3.44Å; Y21-L117 VanDerWaalsContact CE1-CB 3.44Å; Y21-L117 HydrophobicContact CE1-CD1 4.29Å; Y21-L117 WeakPolarHBondContact CE1-O 3.45Å; Y21-L117 HydrophobicContact CE2-CB 4.25Å; Y21-L117 HydrophobicContact CE2-CD1 3.55Å; Y21-L117 VanDerWaalsContact CZ-CB 3.5Å; Y21-L117 VanDerWaalsContact CZ-CD1 3.5Å; Y21-L117 WeakPolarHBondContact OH-CD1 3.48Å; F82-L117 HydrophobicContact CE1-CD1 3.7Å; F82-L117 HydrophobicContact CE1-CD2 4.37Å; F82-L117 HydrophobicContact CE1-CG 4.24Å; F82-L117 HydrophobicContact CE2-CD1 4.43Å; F82-L117 HydrophobicContact CE2-CD2 4.22Å; F82-L117 HydrophobicContact CE2-CG 4.11Å; F82-L117 HydrophobicContact CZ-CD1 3.42Å; F82-L117 VanDerWaalsContact CZ-CD1 3.42Å; F82-L117 HydrophobicContact CZ-CD2 3.91Å; F82-L117 HydrophobicContact CZ-CG 3.54Å; L113-L117 PolarHBondContact O-N 2.93Å; L117-Y121 WeakPolarHBondContact CA-O 2.98Å; L117-V122 HydrophobicContact CD2-CB 4.4Å; L117-V122 HydrophobicContact CD2-CG2 3.77Å |
| 118 | D | 90.8 | Very high | 89.1 | Confident | 101 Ų | 101 | 47 Ų | 47 | 54% | 0.54 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.9 | 170.4 | -176.3 | 14.9 | 0 | 0 | 0 | 109.8 | G120 Y121 Q123 | D118-G120 PolarHBondContact O-N 2.84Å; D118-Y121 PolarHBondContact N-O 2.95Å; D118-Y121 WeakPolarHBondContact O-CB 3.49Å; D118-Y121 PolarHBondContact O-N 2.91Å; D118-Q123 HydrophobicContact CB-CG 3.8Å |
| 119 | Y | 89.1 | Confident | 88.6 | Confident | 116 Ų | 116 | 49.7 Ų | 49.7 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 33.8 | -179.3 | -161.2 | -119.5 | 0 | 0 | 0 | 114.4 | Y21 R22 Y121 | Y21-Y119 WeakPolarHBondContact O-CD2 3.41Å; R22-Y119 VanDerWaalsContact CZ-CD1 3.45Å; R22-Y119 PolarHBondContact NE-O 2.72Å; R22-Y119 PolarHBondContact NH1-OH 3.06Å; R22-Y119 PolarHBondContact NH2-O 2.64Å; R22-Y119 VanDerWaalsContact NH2-O 3.13Å; Y119-Y121 HydrophobicContact CD1-CE2 4.29Å |
| 120 | G | 87.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I3 D118 | I3-G120 PolarHBondContact N-O 3.4Å; I3-G120 WeakPolarHBondContact O-CA 3.45Å; D118-G120 PolarHBondContact O-N 2.84Å |
| 121 | Y | 89.4 | Confident | 87.4 | Confident | 114 Ų | 114 | 49.3 Ų | 49.3 | 45% | 0.447 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.5 | 174.8 | -62.4 | -78.7 | 0 | 0 | 0 | 110.7 | M1 R22 L117 D118 Y119 Q123 | M1-Y121 VanDerWaalsContact O-CD1 3.32Å; M1-Y121 WeakPolarHBondContact O-CD1 3.47Å; R22-Y121 VanDerWaalsContact NH2-CE2 3.34Å; L117-Y121 WeakPolarHBondContact CA-O 2.98Å; D118-Y121 PolarHBondContact N-O 2.95Å; D118-Y121 WeakPolarHBondContact O-CB 3.49Å; D118-Y121 PolarHBondContact O-N 2.91Å; Y119-Y121 HydrophobicContact CD1-CE2 4.29Å; Y121-Q123 PolarHBondContact O-N 2.9Å |
| 122 | V | 90.9 | Very high | 86.8 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 119.8 | 177.3 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | M1 F82 L117 T125 | M1-V122 HydrophobicContact CE-CG2 3.6Å; M1-V122 HydrophobicContact SD-CG2 4.13Å; F82-V122 HydrophobicContact CB-CG2 4.32Å; F82-V122 HydrophobicContact CD2-CB 4.23Å; F82-V122 HydrophobicContact CD2-CG1 3.72Å; F82-V122 HydrophobicContact CD2-CG2 3.4Å; F82-V122 HydrophobicContact CE2-CB 4.48Å; F82-V122 HydrophobicContact CE2-CG1 3.97Å; F82-V122 HydrophobicContact CE2-CG2 3.8Å; F82-V122 HydrophobicContact CG-CG2 3.82Å; L117-V122 HydrophobicContact CD2-CB 4.4Å; L117-V122 HydrophobicContact CD2-CG2 3.77Å; V122-T125 HydrophobicContact CG1-CG2 3.71Å |
| 123 | Q | 89.1 | Confident | 86.4 | Confident | 111 Ų | 111 | 59.2 Ų | 59.2 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | trans | -96.6 | -70.5 | -178.4 | -59.5 | -58.4 | -32.1 | 0 | 0 | 110.9 | V116 D118 Y121 | V116-Q123 PolarHBondContact O-N 3.4Å; D118-Q123 HydrophobicContact CB-CG 3.8Å; Y121-Q123 PolarHBondContact O-N 2.9Å | ||
| 124 | M | 84 | Confident | 86 | Confident | 74 Ų | 74 | 59.6 Ų | 59.6 | 37% | 0.365 | 30% | 0.295 | S | S | . | . | trans | -134.9 | 130.7 | -176.5 | -171.1 | 75.9 | -81.4 | 0 | 0 | 110.7 | V116 V129 L130 | V116-M124 WeakPolarHBondContact CG2-O 3.49Å; M124-V129 HydrophobicContact CG-CB 3.93Å; M124-V129 HydrophobicContact CG-CG1 3.83Å; M124-V129 HydrophobicContact SD-CB 3.95Å; M124-V129 HydrophobicContact SD-CG1 3.86Å; M124-V129 HydrophobicContact SD-CG2 4.03Å; M124-L130 HydrophobicContact CB-CD2 4.41Å; M124-L130 HydrophobicContact CG-CG 4.42Å | ||
| 125 | T | 85.8 | Confident | 85.7 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | trans | -121.2 | 17.4 | 179.7 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | F82 R85 V116 V122 | F82-T125 HydrophobicContact CD2-CG2 4.17Å; F82-T125 HydrophobicContact CE2-CG2 4.2Å; R85-T125 PolarHBondContact NH1-OG1 3.47Å; V116-T125 HydrophobicContact CG1-CG2 3.99Å; V122-T125 HydrophobicContact CG1-CG2 3.71Å | ||
| 126 | S | 80.7 | Confident | 85.2 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | trans | -98.3 | 119.7 | -178.5 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | D128 V129 L130 | S126-D128 PolarHBondContact O-N 2.87Å; S126-V129 PolarHBondContact O-N 3.29Å; S126-L130 WeakPolarHBondContact O-CB 3.26Å; S126-L130 VanDerWaalsContact O-CG 3.27Å; S126-L130 WeakPolarHBondContact O-CG 3.29Å; S126-L130 PolarHBondContact O-N 3.49Å | ||
| 127 | S | 79.6 | Confident | 84.6 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.3 | -39.2 | 178.6 | -44.7 | 0 | 0 | 0 | 0 | 112.2 | L89 D92 Y93 V129 K131 | L89-S127 WeakPolarHBondContact CD2-OG 3.48Å; D92-S127 PolarHBondContact OD2-OG 2.73Å; Y93-S127 PolarHBondContact OH-O 3.24Å; S127-V129 PolarHBondContact O-N 3.38Å; S127-K131 WeakPolarHBondContact O-CB 3.46Å; S127-K131 PolarHBondContact O-N 3.15Å |
| 128 | D | 72.3 | Confident | 84.1 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | -178.5 | -73.1 | -17.9 | 0 | 0 | 0 | 113.1 | S126 S274 Q275 | S126-D128 PolarHBondContact O-N 2.87Å; D128-S274 VanDerWaalsContact OD1-CA 3.29Å; D128-S274 WeakPolarHBondContact OD1-CA 3.46Å; D128-S274 WeakPolarHBondContact OD1-CB 3.38Å; D128-S274 WeakPolarHBondContact OD2-CA 3.23Å; D128-S274 WeakPolarHBondContact OD2-CB 3.41Å; D128-Q275 PolarHBondContact OD1-N 2.79Å |
| 129 | V | 80.8 | Confident | 83.6 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74.6 | -46 | -178.3 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | M124 S126 S127 K131 N132 F133 | M124-V129 HydrophobicContact CG-CB 3.93Å; M124-V129 HydrophobicContact CG-CG1 3.83Å; M124-V129 HydrophobicContact SD-CB 3.95Å; M124-V129 HydrophobicContact SD-CG1 3.86Å; M124-V129 HydrophobicContact SD-CG2 4.03Å; S126-V129 PolarHBondContact O-N 3.29Å; S127-V129 PolarHBondContact O-N 3.38Å; V129-K131 PolarHBondContact O-N 3.06Å; V129-N132 PolarHBondContact O-N 3.28Å; V129-F133 HydrophobicContact CG1-CE2 3.9Å; V129-F133 WeakPolarHBondContact O-CD2 3.43Å; V129-F133 WeakPolarHBondContact O-CE2 3.45Å |
| 130 | L | 84.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.3 | -30.5 | 179.7 | -70.4 | 169.5 | 0 | 0 | 0 | 112.3 | L89 Y93 E115 V116 M124 S126 N132 F133 I134 | L89-L130 HydrophobicContact CD1-CD1 3.94Å; L89-L130 HydrophobicContact CD2-CD1 3.92Å; Y93-L130 VanDerWaalsContact OH-C 3.23Å; Y93-L130 VanDerWaalsContact OH-CB 3.28Å; Y93-L130 WeakPolarHBondContact OH-CB 3.43Å; E115-L130 HydrophobicContact CB-CD2 3.63Å; V116-L130 HydrophobicContact CG2-CD1 3.7Å; V116-L130 HydrophobicContact CG2-CD2 4.18Å; M124-L130 HydrophobicContact CB-CD2 4.41Å; M124-L130 HydrophobicContact CG-CG 4.42Å; S126-L130 WeakPolarHBondContact O-CB 3.26Å; S126-L130 VanDerWaalsContact O-CG 3.27Å; S126-L130 WeakPolarHBondContact O-CG 3.29Å; S126-L130 PolarHBondContact O-N 3.49Å; L130-N132 PolarHBondContact O-N 2.95Å; L130-F133 PolarHBondContact O-N 3.39Å; L130-I134 HydrophobicContact CB-CG1 4.48Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.36Å |
| 131 | K | 79.6 | Confident | 81.3 | Confident | 64 Ų | 64 | 65.8 Ų | 65.8 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -27.7 | 180 | -167.8 | 176.2 | -176.7 | -176.3 | 0 | 113.7 | Y93 S127 V129 | Y93-K131 WeakPolarHBondContact OH-CA 3.38Å; Y93-K131 PolarHBondContact OH-N 2.81Å; S127-K131 WeakPolarHBondContact O-CB 3.46Å; S127-K131 PolarHBondContact O-N 3.15Å; V129-K131 PolarHBondContact O-N 3.06Å |
| 132 | N | 81.1 | Confident | 79.7 | Confident | 138 Ų | 138 | 68.1 Ų | 68.1 | 74% | 0.738 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -18.3 | 178.6 | -61.2 | -41.1 | 0 | 0 | 0 | 113.6 | V129 L130 | V129-N132 PolarHBondContact O-N 3.28Å; L130-N132 PolarHBondContact O-N 2.95Å |
| 133 | F | 84.3 | Confident | 77.6 | Confident | 109 Ų | 109 | 71.1 Ų | 71.1 | 48% | 0.478 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -25.8 | -177.5 | -57.3 | -78.2 | 0 | 0 | 0 | 112.2 | E115 V129 L130 | E115-F133 HydrophobicContact CG-CB 4.05Å; V129-F133 HydrophobicContact CG1-CE2 3.9Å; V129-F133 WeakPolarHBondContact O-CD2 3.43Å; V129-F133 WeakPolarHBondContact O-CE2 3.45Å; L130-F133 PolarHBondContact O-N 3.39Å |
| 134 | I | 85.9 | Confident | 75.4 | Confident | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | trans | -85.7 | 122.6 | 179.5 | -55.6 | -58.5 | 0 | 0 | 0 | 111.8 | Y93 L108 E111 L112 E115 L130 | Y93-I134 HydrophobicContact CD1-CG2 4.39Å; Y93-I134 HydrophobicContact CE1-CB 4.03Å; Y93-I134 HydrophobicContact CE1-CG1 4.01Å; Y93-I134 HydrophobicContact CE1-CG2 3.98Å; L108-I134 HydrophobicContact CD1-CG2 3.36Å; E111-I134 HydrophobicContact CB-CD1 4.33Å; E111-I134 HydrophobicContact CG-CD1 3.76Å; E111-I134 WeakPolarHBondContact OE1-CA 3.48Å; L112-I134 HydrophobicContact CD2-CD1 3.78Å; L112-I134 HydrophobicContact CD2-CG1 3.77Å; L112-I134 HydrophobicContact CG-CD1 4.08Å; L112-I134 HydrophobicContact CG-CG1 4.42Å; E115-I134 HydrophobicContact CB-CD1 4.32Å; E115-I134 HydrophobicContact CG-CD1 3.82Å; L130-I134 HydrophobicContact CB-CG1 4.48Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.36Å | ||
| 135 | Q | 84.8 | Confident | 73.4 | Confident | 153 Ų | 153 | 75.1 Ų | 75.1 | 72% | 0.715 | 40% | 0.401 | S | S | * | . | trans | -100.6 | -29.5 | 179.7 | -57.2 | -171.8 | 5.7 | 0 | 0 | 113.4 | E111 | E111-Q135 PolarHBondContact OE1-N 3.04Š| ||
| 136 | S | 83.4 | Confident | 71.6 | Confident | 36 Ų | 36 | 81 Ų | 81 | 25% | 0.252 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 140.1 | -179.6 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | E111 Q175 | E111-S136 WeakPolarHBondContact OE2-CB 3.39Å; E111-S136 PolarHBondContact OE2-N 3.41Å; E111-S136 PolarHBondContact OE2-OG 2.8Å; S136-Q175 PolarHBondContact O-OE1 3.39Å |
| 137 | E | 80.8 | Confident | 70.1 | Confident | 120 Ų | 120 | 87.7 Ų | 87.7 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 142.3 | 174 | -66.8 | -173.2 | 174.4 | 0 | 0 | 110.9 | V139 R178 | E137-V139 PolarHBondContact O-N 3.25Å; E137-R178 IonicContact OE1-NH1 3.3Å |
| 138 | A | 81.3 | Confident | 68.3 | Low | 26 Ų | 26 | 92.6 Ų | 92.6 | 22% | 0.215 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 126.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y93 N105 L108 S140 P173 | Y93-A138 WeakPolarHBondContact O-CB 3.28Å; N105-A138 WeakPolarHBondContact OD1-CA 3.4Å; L108-A138 HydrophobicContact CD2-CB 3.86Å; A138-S140 PolarHBondContact O-N 3.25Å; A138-P173 HydrophobicContact CB-CB 4.05Å; A138-P173 HydrophobicContact CB-CG 4.25Å |
| 139 | V | 81.4 | Confident | 67 | Low | 81 Ų | 81 | 94.9 Ų | 94.9 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | trans | -84.2 | 101.8 | 170.7 | -175 | 0 | 0 | 0 | 0 | 108.6 | M104 N105 E137 | M104-V139 HydrophobicContact CB-CB 4.36Å; M104-V139 HydrophobicContact CB-CG1 4.31Å; N105-V139 PolarHBondContact ND2-O 3.17Å; N105-V139 PolarHBondContact OD1-N 2.59Å; E137-V139 PolarHBondContact O-N 3.25Å | ||
| 140 | S | 68.8 | Low | 65.3 | Low | 61 Ų | 61 | 96.5 Ų | 96.5 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | trans | -85.9 | 125.7 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | A138 K142 | A138-S140 PolarHBondContact O-N 3.25Å; S140-K142 PolarHBondContact O-N 2.82Å | ||
| 141 | S | 58.5 | Low | 63.2 | Low | 42 Ų | 42 | 103.7 Ų | 103.7 | 29% | 0.294 | 55% | 0.546 | S | S | . | . | trans | -71.6 | 98.8 | 163.3 | 57.6 | 0 | 0 | 0 | 0 | 108.4 | P143 | S141-P143 WeakPolarHBondContact O-CD 3.47Š| ||
| 142 | K | 55.3 | Low | 61.4 | Low | 164 Ų | 164 | 106.2 Ų | 106.2 | 71% | 0.713 | 57% | 0.567 | S | S | * | * | trans | -61.8 | 116.7 | 162.9 | -69.2 | -175 | 179.1 | -178.2 | 0 | 107.3 | S140 F144 | S140-K142 PolarHBondContact O-N 2.82Å; K142-F144 PolarHBondContact O-N 2.9Å | ||
| 143 | P | 48.5 | Very low | 59.9 | Low | 113 Ų | 113 | 103 Ų | 103 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | trans | -60.8 | 124.7 | 163.2 | 26.2 | -30.8 | 0 | 0 | 0 | 106.4 | S141 S145 | S141-P143 WeakPolarHBondContact O-CD 3.47Å; P143-S145 PolarHBondContact O-N 2.87Å | ||
| 144 | F | 42.3 | Very low | 57.7 | Low | 213 Ų | 213 | 105.8 Ų | 105.8 | 93% | 0.934 | 59% | 0.585 | S | S | * | * | trans | -57.2 | 108.4 | 175.9 | -132.1 | -91.2 | 0 | 0 | 0 | 107.5 | K142 | K142-F144 PolarHBondContact O-N 2.9Š| ||
| 145 | S | 41.6 | Very low | 55.4 | Low | 57 Ų | 57 | 115.7 Ų | 115.7 | 40% | 0.399 | 63% | 0.628 | S | S | . | * | trans | -108.5 | 120.9 | 177.9 | -161.5 | 0 | 0 | 0 | 0 | 107.5 | P143 F147 D148 | P143-S145 PolarHBondContact O-N 2.87Å; S145-F147 PolarHBondContact O-N 2.8Å; S145-D148 WeakPolarHBondContact O-CB 3.4Å; S145-D148 PolarHBondContact O-N 3.19Å | ||
| 146 | L | 47.7 | Very low | 53.3 | Low | 148 Ų | 148 | 112.4 Ų | 112.4 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -56.6 | -18.6 | 174.6 | -102.4 | 145.9 | 0 | 0 | 0 | 112.6 | L149 | L146-L149 HydrophobicContact CD2-CD1 4.21Š|
| 147 | F | 49.7 | Very low | 51 | Low | 172 Ų | 172 | 114.4 Ų | 114.4 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -76 | -15.4 | 174.6 | -65.3 | -78.9 | 0 | 0 | 0 | 114.3 | S145 L149 S150 | S145-F147 PolarHBondContact O-N 2.8Å; F147-L149 PolarHBondContact O-N 3.2Å; F147-S150 PolarHBondContact O-N 2.94Å; F147-S150 PolarHBondContact O-OG 3.22Å; F147-S150 VanDerWaalsContact O-OG 3.08Å |
| 148 | D | 42.1 | Very low | 49.1 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 58% | 0.583 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -75 | -8.2 | 175.1 | -113.6 | -0.3 | 0 | 0 | 0 | 112.3 | S145 S150 | S145-D148 WeakPolarHBondContact O-CB 3.4Å; S145-D148 PolarHBondContact O-N 3.19Å; D148-S150 VanDerWaalsContact C-N 3.33Å |
| 149 | L | 44.9 | Very low | 47.2 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 61% | 0.607 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -82.2 | -5.8 | 174.2 | -68.6 | 169.1 | 0 | 0 | 0 | 113.5 | L146 F147 N151 V152 | L146-L149 HydrophobicContact CD2-CD1 4.21Å; F147-L149 PolarHBondContact O-N 3.2Å; L149-N151 PolarHBondContact O-N 3.45Å; L149-N151 VanDerWaalsContact O-N 3.1Å; L149-V152 PolarHBondContact O-N 2.85Å; L149-V152 VanDerWaalsContact O-N 3.15Å |
| 150 | S | 44.5 | Very low | 45.2 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -72.7 | 2 | 179.4 | 67 | 0 | 0 | 0 | 0 | 114.3 | F147 D148 V152 | F147-S150 PolarHBondContact O-N 2.94Å; F147-S150 PolarHBondContact O-OG 3.22Å; F147-S150 VanDerWaalsContact O-OG 3.08Å; D148-S150 VanDerWaalsContact C-N 3.33Å; S150-V152 PolarHBondContact O-N 2.91Å |
| 151 | N | 40.9 | Very low | 43.9 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -76.1 | -2.5 | 166.5 | -76.8 | -10.9 | 0 | 0 | 0 | 113.1 | L149 G153 | L149-N151 PolarHBondContact O-N 3.45Å; L149-N151 VanDerWaalsContact O-N 3.1Å; N151-G153 PolarHBondContact O-N 2.9Å |
| 152 | V | 42.5 | Very low | 43 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -83.9 | 99.7 | 159.8 | -173.9 | 0 | 0 | 0 | 0 | 107.3 | L149 S150 L154 | L149-V152 PolarHBondContact O-N 2.85Å; L149-V152 VanDerWaalsContact O-N 3.15Å; S150-V152 PolarHBondContact O-N 2.91Å; V152-L154 PolarHBondContact O-N 3.15Å; V152-L154 VanDerWaalsContact O-N 3.08Å |
| 153 | G | 49.2 | Very low | 42.6 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -49.7 | 113.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | N151 | N151-G153 PolarHBondContact O-N 2.9Š| ||
| 154 | L | 36.7 | Very low | 42.5 | Very low | 168 Ų | 168 | 137 Ų | 137 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | trans | -113.3 | 118.8 | 159.9 | -138.7 | 79.3 | 0 | 0 | 0 | 107.5 | V152 | V152-L154 PolarHBondContact O-N 3.15Å; V152-L154 VanDerWaalsContact O-N 3.08Å | ||
| 155 | F | 37.6 | Very low | 42.9 | Very low | 216 Ų | 216 | 128.6 Ų | 128.6 | 95% | 0.947 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -48.9 | 134.3 | -175.8 | -79.7 | -108.3 | 0 | 0 | 0 | 113.3 | ||
| 156 | G | 42.1 | Very low | 43.4 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 88% | 0.876 | 71% | 0.712 | S | S | * | * | trans | 97.7 | 27.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 157 | A | 34.9 | Very low | 43.7 | Very low | 77 Ų | 77 | 127 Ų | 127 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | trans | -124 | 72.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | T159 | A157-T159 HydrophobicContact CB-CG2 4.46Å; A157-T159 PolarHBondContact O-N 3.35Å | ||
| 158 | E | 40.4 | Very low | 43.9 | Very low | 203 Ų | 203 | 121.8 Ų | 121.8 | 95% | 0.949 | 70% | 0.7 | S | S | * | * | trans | -67.7 | 77.2 | 159.9 | -67.5 | -167.1 | 160.2 | 0 | 0 | 109.6 | ||||
| 159 | T | 42 | Very low | 44.5 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | trans | -107.5 | 96.2 | 179.3 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | A157 Q161 | A157-T159 HydrophobicContact CB-CG2 4.46Å; A157-T159 PolarHBondContact O-N 3.35Å; T159-Q161 PolarHBondContact O-N 3.36Å | ||
| 160 | Q | 39.5 | Very low | 45 | Very low | 192 Ų | 192 | 113.4 Ų | 113.4 | 90% | 0.897 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 33.2 | 23.1 | 148.4 | -58.7 | -164.7 | 1.7 | 0 | 0 | 121.2 | N162 | Q160-N162 VanDerWaalsContact C-N 3.27Å; Q160-N162 PolarHBondContact O-N 3.15Å |
| 161 | Q | 41.4 | Very low | 45.8 | Very low | 167 Ų | 167 | 112.4 Ų | 112.4 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -82.3 | -0.7 | -177.6 | -85.8 | 168.8 | -16 | 0 | 0 | 114 | T159 K163 | T159-Q161 PolarHBondContact O-N 3.36Å; Q161-K163 PolarHBondContact O-N 3.18Å; Q161-K163 VanDerWaalsContact O-N 3.15Å |
| 162 | N | 39.8 | Very low | 47 | Very low | 133 Ų | 133 | 108.6 Ų | 108.6 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -80.3 | 9.5 | -174.4 | -138.7 | 8 | 0 | 0 | 0 | 114.7 | Q160 | Q160-N162 VanDerWaalsContact C-N 3.27Å; Q160-N162 PolarHBondContact O-N 3.15Å |
| 163 | K | 45.8 | Very low | 47.8 | Very low | 186 Ų | 186 | 103.4 Ų | 103.4 | 81% | 0.809 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -116.5 | 3.5 | -177.1 | -69 | -171.7 | 179.4 | 179.7 | 0 | 114.7 | Q161 | Q161-K163 PolarHBondContact O-N 3.18Å; Q161-K163 VanDerWaalsContact O-N 3.15Å |
| 164 | V | 47.7 | Very low | 48.5 | Very low | 112 Ų | 112 | 100.7 Ų | 100.7 | 68% | 0.679 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -130.7 | 126.8 | -179.2 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 165 | A | 49.6 | Very low | 49.5 | Very low | 35 Ų | 35 | 93.9 Ų | 93.9 | 29% | 0.289 | 53% | 0.529 | S | S | . | . | trans | -57.7 | 136 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S167 F187 W428 | A165-S167 PolarHBondContact O-N 3.31Å; A165-F187 HydrophobicContact CB-CD1 4.15Å; A165-F187 HydrophobicContact CB-CE1 3.61Å; A165-W428 HydrophobicContact CB-CD2 3.87Å; A165-W428 HydrophobicContact CB-CE3 3.96Å; A165-W428 HydrophobicContact CB-CG 4.2Å; A165-W428 HydrophobicContact CB-CZ3 4.42Å | ||
| 166 | P | 53.4 | Low | 50.1 | Low | 49 Ų | 49 | 87.7 Ų | 87.7 | 32% | 0.318 | 51% | 0.512 | S | S | . | . | trans | -58.6 | 129.1 | 173.8 | 18.1 | -28.4 | 0 | 0 | 0 | 111.2 | S168 A169 | P166-S168 PolarHBondContact O-N 2.96Å; P166-A169 VanDerWaalsContact O-CB 3.26Å; P166-A169 WeakPolarHBondContact O-CB 3.33Å; P166-A169 PolarHBondContact O-N 2.77Å | ||
| 167 | S | 52.1 | Low | 50.3 | Low | 122 Ų | 122 | 86.5 Ų | 86.5 | 85% | 0.853 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -55.5 | -28 | -178 | -169.1 | 0 | 0 | 0 | 0 | 113.3 | A165 A169 | A165-S167 PolarHBondContact O-N 3.31Å; S167-A169 VanDerWaalsContact C-N 3.25Å; S167-A169 PolarHBondContact O-N 2.88Å |
| 168 | S | 54.7 | Low | 50.8 | Low | 63 Ų | 63 | 92.1 Ų | 92.1 | 44% | 0.441 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -73.1 | -7.9 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | P166 A170 T171 R172 | P166-S168 PolarHBondContact O-N 2.96Å; S168-A170 PolarHBondContact O-N 3.15Å; S168-T171 PolarHBondContact O-N 2.87Å; S168-T171 VanDerWaalsContact O-N 3.09Å; S168-T171 PolarHBondContact O-OG1 2.93Å; S168-R172 WeakPolarHBondContact O-CG 3.37Å |
| 169 | A | 54.8 | Low | 50.9 | Low | 7 Ų | 7 | 88.6 Ų | 88.6 | 6% | 0.058 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -59.3 | -29 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P166 S167 T171 F187 Y218 | P166-A169 VanDerWaalsContact O-CB 3.26Å; P166-A169 WeakPolarHBondContact O-CB 3.33Å; P166-A169 PolarHBondContact O-N 2.77Å; S167-A169 VanDerWaalsContact C-N 3.25Å; S167-A169 PolarHBondContact O-N 2.88Å; A169-T171 PolarHBondContact O-N 3.47Å; A169-F187 HydrophobicContact CB-CE1 4.01Å; A169-F187 HydrophobicContact CB-CE2 3.98Å; A169-F187 HydrophobicContact CB-CZ 3.7Å; A169-Y218 PolarHBondContact O-OH 2.91Å |
| 170 | A | 54.9 | Low | 50.9 | Low | 42 Ų | 42 | 91 Ų | 91 | 35% | 0.347 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -71.8 | -12.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S168 | S168-A170 PolarHBondContact O-N 3.15Š|
| 171 | T | 61.5 | Low | 51.3 | Low | 74 Ų | 74 | 85.1 Ų | 85.1 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -124 | 16.8 | -171.8 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | G95 S168 A169 | G95-T171 WeakPolarHBondContact CA-O 3.33Å; G95-T171 CarbonylContact O-C 3.54Å; G95-T171 VanDerWaalsContact O-CA 3.24Å; G95-T171 WeakPolarHBondContact O-CA 2.94Å; S168-T171 PolarHBondContact O-N 2.87Å; S168-T171 VanDerWaalsContact O-N 3.09Å; S168-T171 PolarHBondContact O-OG1 2.93Å; A169-T171 PolarHBondContact O-N 3.47Å |
| 172 | R | 67.3 | Low | 51.9 | Low | 73 Ų | 73 | 79.5 Ų | 79.5 | 28% | 0.275 | 48% | 0.478 | S | S | . | . | trans | -85.7 | 127.3 | -178.5 | -70.4 | -176.5 | -163.6 | 161.5 | 2.7 | 111.6 | S168 E185 Y218 | S168-R172 WeakPolarHBondContact O-CG 3.37Å; R172-E185 IonicContact CZ-OE2 3.11Å; R172-E185 IonicContact NH1-OE2 2.69Å; R172-E185 PolarHBondContact NH1-OE2 3.43Å; R172-E185 IonicContact NH2-OE2 3.33Å; R172-Y218 HydrophobicContact CB-CE1 3.85Å | ||
| 173 | P | 59 | Low | 53.2 | Low | 8 Ų | 8 | 80.5 Ų | 80.5 | 5% | 0.052 | 48% | 0.476 | C | S | . | . | trans | -55.7 | 147.9 | 168.3 | -29.2 | 37.7 | 0 | 0 | 0 | 114 | Y93 A138 | Y93-P173 WeakPolarHBondContact O-CB 3.33Å; A138-P173 HydrophobicContact CB-CB 4.05Å; A138-P173 HydrophobicContact CB-CG 4.25Å | ||
| 174 | I | 62.3 | Low | 54.7 | Low | 13 Ų | 13 | 73.2 Ų | 73.2 | 7% | 0.067 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -33.3 | 173.6 | -66.8 | 174.3 | 0 | 0 | 0 | 112.5 | D92 Q275 G276 | D92-I174 HydrophobicContact CB-CD1 3.43Å; D92-I174 VanDerWaalsContact CB-CD1 3.43Å; D92-I174 HydrophobicContact CB-CG1 4.27Å; D92-I174 WeakPolarHBondContact O-CG1 3.22Å; D92-I174 PolarHBondContact O-N 3.11Å; I174-Q275 HydrophobicContact CG2-CB 3.91Å; I174-G276 VanDerWaalsContact CG1-CA 3.45Å |
| 175 | Q | 57.9 | Low | 56.5 | Low | 25 Ų | 25 | 68 Ų | 68 | 12% | 0.117 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.8 | -171.4 | -82.4 | -176.6 | -30 | 0 | 0 | 115.3 | Y93 S136 S177 | Y93-Q175 HydrophobicContact CD1-CG 4.1Å; Y93-Q175 VanDerWaalsContact CE1-CD 3.49Å; Y93-Q175 HydrophobicContact CE1-CG 4.07Å; S136-Q175 PolarHBondContact O-OE1 3.39Å; Q175-S177 PolarHBondContact O-N 2.96Å |
| 176 | S | 51 | Low | 58.3 | Low | 86 Ų | 86 | 66.4 Ų | 66.4 | 60% | 0.601 | 40% | 0.403 | S | S | * | . | trans | -71.4 | 17.6 | -174.9 | 71.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 177 | S | 45.8 | Very low | 60 | Low | 59 Ų | 59 | 64.5 Ų | 64.5 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | trans | -129.2 | 54.9 | -170.2 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | Q175 | Q175-S177 PolarHBondContact O-N 2.96Š| ||
| 178 | R | 44.8 | Very low | 62 | Low | 195 Ų | 195 | 58.7 Ų | 58.7 | 74% | 0.736 | 35% | 0.349 | S | S | * | . | trans | -82.6 | 6.4 | 148.5 | -74.7 | -174.3 | 178.3 | 173.1 | 0.9 | 112.4 | E137 | E137-R178 IonicContact OE1-NH1 3.3Š| ||
| 179 | D | 42.5 | Very low | 63.9 | Low | 129 Ų | 129 | 56 Ų | 56 | 69% | 0.69 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -84.8 | 125.9 | 168.7 | -93.5 | -26.6 | 0 | 0 | 0 | 111.6 | G181 | D179-G181 PolarHBondContact O-N 3.2Š|
| 180 | P | 42 | Very low | 65.9 | Low | 141 Ų | 141 | 55.7 Ų | 55.7 | 92% | 0.916 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 4 | 176.5 | -21.6 | 31.7 | 0 | 0 | 0 | 116.1 | ||
| 181 | G | 47.9 | Very low | 67.9 | Low | 69 Ų | 69 | 55.1 Ų | 55.1 | 71% | 0.711 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 11.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D179 K183 | D179-G181 PolarHBondContact O-N 3.2Å; G181-K183 PolarHBondContact O-N 2.72Å |
| 182 | G | 56 | Low | 69.6 | Low | 48 Ų | 48 | 51.6 Ų | 51.6 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | trans | -57.2 | 122.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S184 | G182-S184 PolarHBondContact O-N 3.38Š| ||
| 183 | K | 65.9 | Low | 71.1 | Confident | 155 Ų | 155 | 52.8 Ų | 52.8 | 67% | 0.674 | 30% | 0.304 | S | S | * | . | trans | -62.9 | 120.9 | 176.6 | -67 | -178.5 | -179.6 | 178.6 | 0 | 109.4 | G181 E185 | G181-K183 PolarHBondContact O-N 2.72Å; K183-E185 HydrophobicContact CB-CG 3.94Å; K183-E185 WeakPolarHBondContact CD-OE1 3.47Å; K183-E185 PolarHBondContact O-N 2.8Å | ||
| 184 | S | 77.6 | Confident | 72.8 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | trans | -73 | 95.7 | 175.9 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | G182 S425 Q426 | G182-S184 PolarHBondContact O-N 3.38Å; S184-S425 WeakPolarHBondContact O-CA 3.42Å; S184-Q426 PolarHBondContact O-N 3.35Å; S184-Q426 VanDerWaalsContact O-N 3.13Å | ||
| 185 | E | 85 | Confident | 74.4 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.1 | -175.7 | -61.4 | 176.9 | 171.8 | 0 | 0 | 110.4 | R172 K183 F187 Y218 Q426 | R172-E185 IonicContact CZ-OE2 3.11Å; R172-E185 IonicContact NH1-OE2 2.69Å; R172-E185 PolarHBondContact NH1-OE2 3.43Å; R172-E185 IonicContact NH2-OE2 3.33Å; K183-E185 HydrophobicContact CB-CG 3.94Å; K183-E185 WeakPolarHBondContact CD-OE1 3.47Å; K183-E185 PolarHBondContact O-N 2.8Å; E185-F187 HydrophobicContact CB-CE2 3.69Å; E185-F187 HydrophobicContact CB-CZ 3.97Å; E185-F187 WeakPolarHBondContact OE2-CZ 3.42Å; E185-Y218 PolarHBondContact O-N 2.87Å; E185-Q426 WeakPolarHBondContact CA-O 3.38Å; E185-Q426 HydrophobicContact CG-CB 4.26Å |
| 186 | I | 87.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.4 | 167.7 | -65.2 | 173.1 | 0 | 0 | 0 | 109.4 | V188 V215 K216 M219 M225 L415 L417 Q426 W428 | I186-V188 HydrophobicContact CG2-CG2 4.22Å; I186-V215 HydrophobicContact CG2-CG1 4.28Å; I186-K216 WeakPolarHBondContact CA-O 3.45Å; I186-M219 HydrophobicContact CD1-CE 3.22Å; I186-M219 HydrophobicContact CD1-CG 4.13Å; I186-M219 HydrophobicContact CD1-SD 3.59Å; I186-M219 VanDerWaalsContact CD1-SD 3.59Å; I186-M219 HydrophobicContact CG1-CE 4.01Å; I186-M219 HydrophobicContact CG1-CG 3.83Å; I186-M219 HydrophobicContact CG1-SD 3.84Å; I186-M225 HydrophobicContact CG2-SD 4.42Å; I186-L415 HydrophobicContact CG2-CD2 4.21Å; I186-L417 HydrophobicContact CD1-CD1 3.52Å; I186-L417 HydrophobicContact CD1-CD2 3.33Å; I186-L417 HydrophobicContact CD1-CG 4.04Å; I186-Q426 PolarHBondContact N-O 3.02Å; I186-W428 PolarHBondContact O-N 2.92Å |
| 187 | F | 90.4 | Very high | 78.5 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 4% | 0.044 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.7 | 172 | -50.5 | -95.7 | 0 | 0 | 0 | 109.2 | A165 A169 E185 V215 K216 Y218 W428 | A165-F187 HydrophobicContact CB-CD1 4.15Å; A165-F187 HydrophobicContact CB-CE1 3.61Å; A169-F187 HydrophobicContact CB-CE1 4.01Å; A169-F187 HydrophobicContact CB-CE2 3.98Å; A169-F187 HydrophobicContact CB-CZ 3.7Å; E185-F187 HydrophobicContact CB-CE2 3.69Å; E185-F187 HydrophobicContact CB-CZ 3.97Å; E185-F187 WeakPolarHBondContact OE2-CZ 3.42Å; F187-V215 CarbonylContact O-C 3.55Å; F187-V215 WeakPolarHBondContact O-CA 3.49Å; F187-K216 HydrophobicContact CB-CB 4.1Å; F187-K216 HydrophobicContact CD2-CB 4.18Å; F187-K216 PolarHBondContact N-O 2.91Å; F187-K216 PolarHBondContact O-N 2.93Å; F187-Y218 AromaticContact CD2-CD2 3.92Å; F187-Y218 HydrophobicContact CD2-CD2 3.92Å; F187-Y218 AromaticContact CD2-CE2 3.78Å; F187-Y218 HydrophobicContact CD2-CE2 3.78Å; F187-Y218 AromaticContact CE2-CD2 3.71Å; F187-Y218 HydrophobicContact CE2-CD2 3.71Å; F187-Y218 AromaticContact CE2-CE2 3.76Å; F187-Y218 HydrophobicContact CE2-CE2 3.76Å; F187-W428 CarbonylContact C-O 3.52Å; F187-W428 WeakPolarHBondContact CA-O 3.24Å; F187-W428 HydrophobicContact CB-CB 4.45Å; F187-W428 HydrophobicContact CD1-CB 3.42Å; F187-W428 VanDerWaalsContact CD1-CB 3.42Å; F187-W428 AromaticContact CD1-CD1 3.56Å; F187-W428 AromaticContact CD1-CG 3.61Å; F187-W428 HydrophobicContact CD1-CG 3.61Å; F187-W428 HydrophobicContact CE1-CB 3.88Å; F187-W428 AromaticContact CE1-CD1 3.14Å; F187-W428 HydrophobicContact CE1-CD2 4.29Å; F187-W428 AromaticContact CE1-CG 3.5Å; F187-W428 HydrophobicContact CE1-CG 3.5Å; F187-W428 AromaticContact CE1-NE1 3.72Å; F187-W428 HydrophobicContact CG-CB 4.21Å; F187-W428 AromaticContact CZ-CD1 3.68Å; F187-W428 HydrophobicContact CZ-CG 4.44Å |
| 188 | V | 93.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 111.1 | 168.9 | -168.1 | 0 | 0 | 0 | 0 | 107.9 | I186 V213 R214 V215 I227 I412 L415 W428 V429 R430 | I186-V188 HydrophobicContact CG2-CG2 4.22Å; V188-V213 HydrophobicContact CG1-CG1 3.74Å; V188-R214 CarbonylContact C-O 3.57Å; V188-R214 WeakPolarHBondContact CA-O 3.48Å; V188-V215 HydrophobicContact CG1-CG2 4.34Å; V188-V215 HydrophobicContact CG2-CG2 4.38Å; V188-I227 HydrophobicContact CG1-CD1 4.33Å; V188-I412 HydrophobicContact CB-CD1 3.97Å; V188-I412 HydrophobicContact CG1-CD1 3.3Å; V188-L415 HydrophobicContact CG2-CD1 4.13Å; V188-L415 HydrophobicContact CG2-CD2 3.82Å; V188-W428 PolarHBondContact N-O 2.98Å; V188-V429 HydrophobicContact CB-CG2 4.45Å; V188-V429 VanDerWaalsContact O-CA 3.29Å; V188-V429 WeakPolarHBondContact O-CA 3.43Å; V188-R430 PolarHBondContact O-N 2.81Å |
| 189 | D | 94.7 | Very high | 83.3 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123.3 | 179.1 | -70 | -29.3 | 0 | 0 | 0 | 108.7 | I191 V213 R214 K216 R430 | D189-I191 HydrophobicContact CB-CD1 4.01Å; D189-I191 HydrophobicContact CB-CG1 3.93Å; D189-V213 WeakPolarHBondContact O-CA 3.34Å; D189-R214 HydrophobicContact CB-CB 4.35Å; D189-R214 PolarHBondContact N-O 3.37Å; D189-R214 PolarHBondContact O-N 2.94Å; D189-K216 WeakPolarHBondContact OD2-CE 3.46Å; D189-K216 IonicContact OD2-NZ 3.93Å; D189-K216 PolarHBondContact OD2-NZ 2.7Å; D189-R430 CarbonylContact C-O 3.58Å; D189-R430 WeakPolarHBondContact CA-O 3.45Å; D189-R430 VanDerWaalsContact CG-NH2 3.27Å; D189-R430 WeakPolarHBondContact OD1-CB 3.2Å; D189-R430 IonicContact OD1-CZ 2.8Å; D189-R430 IonicContact OD1-NE 3.32Å; D189-R430 PolarHBondContact OD1-NE 3.12Å; D189-R430 IonicContact OD1-NH2 3.48Å; D189-R430 PolarHBondContact OD1-NH2 2.8Å; D189-R430 IonicContact OD2-CZ 3.99Å; D189-R430 IonicContact OD2-NE 3.91Å; D189-R430 IonicContact OD2-NH2 3.8Å; D189-R430 PolarHBondContact OD2-NH2 2.94Å |
| 190 | V | 96.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 107.9 | 164.2 | -176.7 | 0 | 0 | 0 | 0 | 106.8 | Y283 T406 L410 I412 R430 Y431 V432 | V190-Y283 WeakPolarHBondContact CG1-OH 3.31Å; V190-T406 HydrophobicContact CG1-CG2 3.91Å; V190-L410 HydrophobicContact CG1-CD2 3.98Å; V190-I412 HydrophobicContact CG2-CD1 3.74Å; V190-I412 HydrophobicContact CG2-CG1 3.94Å; V190-R430 PolarHBondContact N-O 2.95Å; V190-Y431 HydrophobicContact CB-CD1 3.65Å; V190-Y431 HydrophobicContact CB-CE1 4.08Å; V190-Y431 HydrophobicContact CG1-CD1 4.17Å; V190-Y431 HydrophobicContact CG2-CD1 3.86Å; V190-Y431 HydrophobicContact CG2-CE1 3.75Å; V190-Y431 WeakPolarHBondContact O-CA 3.48Å; V190-V432 PolarHBondContact O-N 3.01Å |
| 191 | I | 96.8 | Very high | 88.1 | Confident | 29 Ų | 29 | 35 Ų | 35 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122 | -175.1 | -56.4 | 170.4 | 0 | 0 | 0 | 107.6 | D189 G211 E212 V432 | D189-I191 HydrophobicContact CB-CD1 4.01Å; D189-I191 HydrophobicContact CB-CG1 3.93Å; I191-G211 CarbonylContact O-C 3.31Å; I191-G211 WeakPolarHBondContact O-CA 3.43Å; I191-E212 PolarHBondContact N-O 2.86Å; I191-E212 PolarHBondContact O-N 3.14Å; I191-V432 WeakPolarHBondContact CA-O 3.4Å; I191-V432 HydrophobicContact CG1-CG1 4.37Å; I191-V432 HydrophobicContact CG2-CG1 4.15Å |
| 192 | E | 97.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.5 | 173.8 | -71.3 | -174.7 | 178.1 | 0 | 0 | 110.9 | I209 E210 Y283 G407 T408 V432 T433 H434 | E192-I209 HydrophobicContact CB-CG2 3.85Å; E192-I209 HydrophobicContact CG-CG2 3.85Å; E192-E210 CarbonylContact C-O 3.54Å; E192-E210 WeakPolarHBondContact CA-O 3.36Å; E192-Y283 HydrophobicContact CG-CE2 4.35Å; E192-Y283 VanDerWaalsContact CG-OH 3.32Å; E192-Y283 WeakPolarHBondContact CG-OH 3.47Å; E192-Y283 PolarHBondContact OE1-OH 3.5Å; E192-G407 WeakPolarHBondContact OE2-CA 3.39Å; E192-G407 PolarHBondContact OE2-N 3.09Å; E192-T408 WeakPolarHBondContact OE1-CB 3.47Å; E192-T408 WeakPolarHBondContact OE1-CG2 3.2Å; E192-T408 PolarHBondContact OE1-N 3.18Å; E192-T408 PolarHBondContact OE1-OG1 2.87Å; E192-T408 PolarHBondContact OE2-N 3.44Å; E192-V432 PolarHBondContact N-O 2.83Å; E192-T433 HydrophobicContact CB-CG2 3.94Å; E192-T433 CarbonylContact O-C 3.54Å; E192-T433 VanDerWaalsContact O-CA 3.31Å; E192-T433 WeakPolarHBondContact O-CA 3.47Å; E192-H434 PolarHBondContact O-N 2.95Å |
| 193 | K | 97 | Very high | 91.8 | Very high | 99 Ų | 99 | 35.7 Ų | 35.7 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.8 | 173.7 | -75.2 | -173.6 | -178.4 | -176.3 | 0 | 108.4 | I209 E210 H434 D436 | K193-I209 WeakPolarHBondContact O-CA 3.16Å; K193-E210 HydrophobicContact CB-CB 4.47Å; K193-E210 PolarHBondContact N-O 3.27Å; K193-E210 PolarHBondContact O-N 2.98Å; K193-H434 WeakPolarHBondContact CA-O 3.41Å; K193-D436 HydrophobicContact CB-CB 4.09Å |
| 194 | M | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.7 | -174.7 | 177.1 | 172.2 | -76.5 | 0 | 0 | 111.3 | V196 I209 L289 P294 W405 T433 H434 D436 S437 Y438 | M194-V196 HydrophobicContact CG-CG2 3.52Å; M194-V196 HydrophobicContact SD-CG2 3.77Å; M194-I209 HydrophobicContact CE-CD1 3.82Å; M194-I209 HydrophobicContact CE-CG1 4.07Å; M194-L289 HydrophobicContact CE-CD1 4.39Å; M194-L289 HydrophobicContact CE-CD2 4.32Å; M194-P294 HydrophobicContact SD-CG 4.07Å; M194-W405 HydrophobicContact CE-CH2 3.81Å; M194-W405 HydrophobicContact CE-CZ3 3.96Å; M194-T433 HydrophobicContact CB-CG2 4.2Å; M194-H434 PolarHBondContact N-O 2.82Å; M194-D436 PolarHBondContact O-N 3.29Å; M194-S437 PolarHBondContact O-N 3.38Å; M194-Y438 HydrophobicContact CG-CD2 4.48Å; M194-Y438 HydrophobicContact SD-CD2 4.32Å; M194-Y438 HydrophobicContact SD-CE2 4.06Å |
| 195 | S | 96.8 | Very high | 93.9 | Very high | 27 Ų | 27 | 35 Ų | 35 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 109.6 | 174.8 | -80.4 | 0 | 0 | 0 | 0 | 110.3 | A207 D208 D436 S437 | S195-A207 CarbonylContact O-C 3.41Å; S195-A207 WeakPolarHBondContact O-CA 3.4Å; S195-D208 PolarHBondContact N-O 3.08Å; S195-D208 PolarHBondContact O-N 2.87Å; S195-D436 PolarHBondContact OG-OD2 2.76Å; S195-S437 CarbonylContact C-O 3.46Å; S195-S437 WeakPolarHBondContact CA-O 3.31Å; S195-S437 PolarHBondContact OG-N 2.84Å |
| 196 | V | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.3 | -171.2 | 166.9 | 0 | 0 | 0 | 0 | 110.6 | M194 I198 L204 K206 A207 P293 S437 Y438 I439 | M194-V196 HydrophobicContact CG-CG2 3.52Å; M194-V196 HydrophobicContact SD-CG2 3.77Å; V196-I198 HydrophobicContact CG1-CD1 4.19Å; V196-I198 HydrophobicContact CG1-CG1 3.75Å; V196-L204 HydrophobicContact CG1-CD1 3.71Å; V196-K206 CarbonylContact C-O 3.57Å; V196-K206 WeakPolarHBondContact CA-O 3.31Å; V196-A207 HydrophobicContact CG2-CB 4.09Å; V196-P293 HydrophobicContact CG1-CB 4.49Å; V196-S437 PolarHBondContact N-O 2.86Å; V196-Y438 HydrophobicContact CB-CD2 3.64Å; V196-Y438 HydrophobicContact CB-CE2 3.63Å; V196-Y438 HydrophobicContact CB-CG 4.25Å; V196-Y438 HydrophobicContact CG1-CD2 4.18Å; V196-Y438 HydrophobicContact CG1-CE1 4.35Å; V196-Y438 HydrophobicContact CG1-CE2 3.75Å; V196-Y438 HydrophobicContact CG2-CD2 4.08Å; V196-Y438 HydrophobicContact CG2-CE2 3.87Å; V196-I439 PolarHBondContact O-N 2.84Å |
| 197 | V | 97 | Very high | 94.7 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.5 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | M205 K206 I439 | V197-M205 HydrophobicContact CB-CB 4.4Å; V197-M205 HydrophobicContact CG1-CB 4.3Å; V197-M205 HydrophobicContact CG1-SD 4.34Å; V197-M205 WeakPolarHBondContact O-CB 3.44Å; V197-M205 PolarHBondContact O-N 3.28Å; V197-K206 HydrophobicContact CB-CB 4.09Å; V197-K206 HydrophobicContact CG2-CB 4.24Å; V197-K206 PolarHBondContact N-O 2.81Å; V197-K206 PolarHBondContact O-N 2.76Å; V197-I439 CarbonylContact C-O 3.51Å; V197-I439 WeakPolarHBondContact CA-O 3.28Å |
| 198 | I | 96.7 | Very high | 95 | Very high | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.3 | 174.9 | -54.3 | -178.2 | 0 | 0 | 0 | 108.3 | V196 L204 Y438 I439 I440 R441 | V196-I198 HydrophobicContact CG1-CD1 4.19Å; V196-I198 HydrophobicContact CG1-CG1 3.75Å; I198-L204 HydrophobicContact CG1-CD1 4.22Å; I198-Y438 HydrophobicContact CD1-CE1 4.23Å; I198-I439 PolarHBondContact N-O 2.78Å; I198-I440 HydrophobicContact CB-CB 4.5Å; I198-I440 HydrophobicContact CB-CG1 4.28Å; I198-I440 HydrophobicContact CB-CG2 4.17Å; I198-I440 HydrophobicContact CD1-CD1 4.49Å; I198-I440 HydrophobicContact CD1-CG1 4.21Å; I198-I440 HydrophobicContact CG1-CG1 4.48Å; I198-I440 HydrophobicContact CG2-CG2 4.33Å; I198-R441 PolarHBondContact O-N 2.65Å |
| 199 | G | 96.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 40 Ų | 40 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | trans | -70.1 | 164.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N201 G202 V203 | G199-N201 PolarHBondContact O-N 3.42Å; G199-G202 WeakPolarHBondContact O-CA 3.34Å; G199-G202 PolarHBondContact O-N 2.82Å; G199-V203 PolarHBondContact N-O 3.31Å | ||
| 200 | S | 91.6 | Very high | 95.2 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 61% | 0.608 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.1 | 178.8 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | G202 R441 | S200-G202 PolarHBondContact O-N 3.26Å; S200-R441 VanDerWaalsContact CA-O 3.28Å; S200-R441 WeakPolarHBondContact CA-O 3.4Å |
| 201 | N | 91.9 | Very high | 95.2 | Very high | 120 Ų | 120 | 44.8 Ų | 44.8 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.6 | 170.3 | 64.1 | -7.6 | 0 | 0 | 0 | 113.7 | G199 V203 | G199-N201 PolarHBondContact O-N 3.42Å; N201-V203 VanDerWaalsContact C-N 3.29Å; N201-V203 VanDerWaalsContact ND2-CG2 3.34Å; N201-V203 WeakPolarHBondContact ND2-CG2 3.3Å; N201-V203 PolarHBondContact O-N 2.87Å; N201-V203 WeakPolarHBondContact OD1-CB 3.35Å; N201-V203 PolarHBondContact OD1-N 2.86Å |
| 202 | G | 89.9 | Confident | 95.2 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 53% | 0.526 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 78 | 6.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G199 S200 | G199-G202 WeakPolarHBondContact O-CA 3.34Å; G199-G202 PolarHBondContact O-N 2.82Å; S200-G202 PolarHBondContact O-N 3.26Å |
| 203 | V | 93.1 | Very high | 95.1 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | trans | -80.2 | 133.3 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 110 | G199 N201 M205 | G199-V203 PolarHBondContact N-O 3.31Å; N201-V203 VanDerWaalsContact C-N 3.29Å; N201-V203 VanDerWaalsContact ND2-CG2 3.34Å; N201-V203 WeakPolarHBondContact ND2-CG2 3.3Å; N201-V203 PolarHBondContact O-N 2.87Å; N201-V203 WeakPolarHBondContact OD1-CB 3.35Å; N201-V203 PolarHBondContact OD1-N 2.86Å; V203-M205 PolarHBondContact O-N 3.04Å | ||
| 204 | L | 93.7 | Very high | 95 | Very high | 68 Ų | 68 | 42.9 Ų | 42.9 | 36% | 0.356 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 115.8 | 172.4 | -175.6 | 61.3 | 0 | 0 | 0 | 109.4 | V196 I198 K206 A207 P293 | V196-L204 HydrophobicContact CG1-CD1 3.71Å; I198-L204 HydrophobicContact CG1-CD1 4.22Å; L204-K206 WeakPolarHBondContact CD1-O 3.47Å; L204-A207 HydrophobicContact CD1-CB 4.15Å; L204-A207 HydrophobicContact CD2-CB 3.98Å; L204-A207 HydrophobicContact CG-CB 4.35Å; L204-P293 HydrophobicContact CD1-CG 3.8Å; L204-P293 HydrophobicContact CD2-CG 3.95Å; L204-P293 HydrophobicContact CG-CG 4.43Å |
| 205 | M | 94.2 | Very high | 94.8 | Very high | 103 Ų | 103 | 43.1 Ų | 43.1 | 51% | 0.507 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -35.6 | 179.3 | -61.4 | -174.2 | 67.9 | 0 | 0 | 112.3 | V197 V203 | V197-M205 HydrophobicContact CB-CB 4.4Å; V197-M205 HydrophobicContact CG1-CB 4.3Å; V197-M205 HydrophobicContact CG1-SD 4.34Å; V197-M205 WeakPolarHBondContact O-CB 3.44Å; V197-M205 PolarHBondContact O-N 3.28Å; V203-M205 PolarHBondContact O-N 3.04Å |
| 206 | K | 94.2 | Very high | 94.4 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 141.2 | -178 | -174.5 | 171.9 | -178.2 | -169.5 | 0 | 110.2 | V196 V197 L204 D208 | V196-K206 CarbonylContact C-O 3.57Å; V196-K206 WeakPolarHBondContact CA-O 3.31Å; V197-K206 HydrophobicContact CB-CB 4.09Å; V197-K206 HydrophobicContact CG2-CB 4.24Å; V197-K206 PolarHBondContact N-O 2.81Å; V197-K206 PolarHBondContact O-N 2.76Å; L204-K206 WeakPolarHBondContact CD1-O 3.47Å; K206-D208 VanDerWaalsContact CE-CG 3.44Å; K206-D208 WeakPolarHBondContact CE-OD2 2.89Å; K206-D208 IonicContact NZ-OD2 3.54Å; K206-D208 PolarHBondContact NZ-OD2 3.19Å |
| 207 | A | 94.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 102.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S195 V196 L204 D287 L289 | S195-A207 CarbonylContact O-C 3.41Å; S195-A207 WeakPolarHBondContact O-CA 3.4Å; V196-A207 HydrophobicContact CG2-CB 4.09Å; L204-A207 HydrophobicContact CD1-CB 4.15Å; L204-A207 HydrophobicContact CD2-CB 3.98Å; L204-A207 HydrophobicContact CG-CB 4.35Å; A207-D287 VanDerWaalsContact O-CA 3.29Å; A207-D287 WeakPolarHBondContact O-CA 3.36Å; A207-D287 PolarHBondContact O-N 3.29Å; A207-L289 HydrophobicContact CB-CD1 3.5Å; A207-L289 HydrophobicContact CB-CD2 4.42Å; A207-L289 HydrophobicContact CB-CG 3.6Å |
| 208 | D | 95.8 | Very high | 93 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 145.3 | 173.7 | -66.6 | -26.8 | 0 | 0 | 0 | 110.4 | S195 K206 L285 S286 | S195-D208 PolarHBondContact N-O 3.08Å; S195-D208 PolarHBondContact O-N 2.87Å; K206-D208 VanDerWaalsContact CE-CG 3.44Å; K206-D208 WeakPolarHBondContact CE-OD2 2.89Å; K206-D208 IonicContact NZ-OD2 3.54Å; K206-D208 PolarHBondContact NZ-OD2 3.19Å; D208-L285 CarbonylContact C-O 3.57Å; D208-L285 VanDerWaalsContact CA-O 3.29Å; D208-L285 WeakPolarHBondContact CA-O 2.92Å; D208-S286 VanDerWaalsContact OD1-CA 3.24Å; D208-S286 WeakPolarHBondContact OD1-CA 3.28Å; D208-S286 VanDerWaalsContact OD1-CB 3.24Å; D208-S286 WeakPolarHBondContact OD1-CB 3.49Å; D208-S286 PolarHBondContact OD1-OG 3.49Å |
| 209 | I | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.8 | 165.5 | -62.3 | 177.1 | 0 | 0 | 0 | 108.8 | E192 K193 M194 R284 L285 L289 G407 T408 | E192-I209 HydrophobicContact CB-CG2 3.85Å; E192-I209 HydrophobicContact CG-CG2 3.85Å; K193-I209 WeakPolarHBondContact O-CA 3.16Å; M194-I209 HydrophobicContact CE-CD1 3.82Å; M194-I209 HydrophobicContact CE-CG1 4.07Å; I209-R284 WeakPolarHBondContact O-CA 3.24Å; I209-L285 HydrophobicContact CB-CB 4.41Å; I209-L285 PolarHBondContact N-O 2.87Å; I209-L285 PolarHBondContact O-N 2.82Å; I209-L289 HydrophobicContact CD1-CD2 3.32Å; I209-L289 HydrophobicContact CG1-CD2 3.76Å; I209-G407 VanDerWaalsContact CD1-C 3.49Å; I209-T408 HydrophobicContact CB-CG2 4.18Å; I209-T408 HydrophobicContact CD1-CG2 4Å; I209-T408 HydrophobicContact CG2-CG2 3.89Å |
| 210 | E | 97.1 | Very high | 90.7 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 48% | 0.481 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119 | 164.8 | -63.7 | -172.1 | 164.7 | 0 | 0 | 108.5 | E192 K193 R284 | E192-E210 CarbonylContact C-O 3.54Å; E192-E210 WeakPolarHBondContact CA-O 3.36Å; K193-E210 HydrophobicContact CB-CB 4.47Å; K193-E210 PolarHBondContact N-O 3.27Å; K193-E210 PolarHBondContact O-N 2.98Å; E210-R284 HydrophobicContact CG-CG 4.33Å; E210-R284 IonicContact OE1-NE 2.67Å |
| 211 | G | 96.5 | Very high | 89.7 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | I191 Q282 Y283 | I191-G211 CarbonylContact O-C 3.31Å; I191-G211 WeakPolarHBondContact O-CA 3.43Å; G211-Q282 CarbonylContact O-C 3.59Å; G211-Q282 WeakPolarHBondContact O-CA 3.4Å; G211-Y283 VanDerWaalsContact C-CE1 3.47Å; G211-Y283 VanDerWaalsContact CA-CZ 3.47Å; G211-Y283 PolarHBondContact N-O 2.81Å; G211-Y283 WeakPolarHBondContact O-CD1 3.44Å; G211-Y283 PolarHBondContact O-N 2.83Å |
| 212 | E | 96.5 | Very high | 88.8 | Confident | 29 Ų | 29 | 40.8 Ų | 40.8 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 135.2 | 176.4 | -171.7 | -169.8 | 139.4 | 0 | 0 | 109.8 | I191 R214 A279 M281 Q282 | I191-E212 PolarHBondContact N-O 2.86Å; I191-E212 PolarHBondContact O-N 3.14Å; E212-R214 VanDerWaalsContact CD-NH2 3.34Å; E212-R214 IonicContact OE1-CZ 2.8Å; E212-R214 IonicContact OE1-NE 3.1Å; E212-R214 PolarHBondContact OE1-NE 2.91Å; E212-R214 IonicContact OE1-NH2 3.22Å; E212-R214 PolarHBondContact OE1-NH2 2.82Å; E212-R214 VanDerWaalsContact OE1-NH2 3.11Å; E212-R214 IonicContact OE2-CZ 3.89Å; E212-R214 IonicContact OE2-NE 3.68Å; E212-R214 IonicContact OE2-NH2 3.42Å; E212-R214 PolarHBondContact OE2-NH2 3.04Å; E212-A279 VanDerWaalsContact CD-CB 3.46Å; E212-A279 HydrophobicContact CG-CB 3.95Å; E212-A279 WeakPolarHBondContact OE1-CA 3.45Å; E212-A279 WeakPolarHBondContact OE1-CB 3.36Å; E212-M281 CarbonylContact C-O 3.57Å; E212-M281 WeakPolarHBondContact CA-O 3.49Å; E212-Q282 HydrophobicContact CB-CG 4.31Å; E212-Q282 HydrophobicContact CG-CG 3.88Å |
| 213 | V | 96.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 116.1 | 162.9 | -174.1 | 0 | 0 | 0 | 0 | 107.2 | V188 D189 V280 M281 Y283 L410 | V188-V213 HydrophobicContact CG1-CG1 3.74Å; D189-V213 WeakPolarHBondContact O-CA 3.34Å; V213-V280 HydrophobicContact CB-CG2 3.96Å; V213-V280 HydrophobicContact CG1-CG2 3.78Å; V213-V280 VanDerWaalsContact O-CG2 3.24Å; V213-V280 WeakPolarHBondContact O-CG2 3.33Å; V213-V280 PolarHBondContact O-N 3.35Å; V213-M281 HydrophobicContact CB-CB 4.15Å; V213-M281 HydrophobicContact CG2-CB 4.27Å; V213-M281 HydrophobicContact CG2-SD 4.32Å; V213-M281 PolarHBondContact N-O 3.3Å; V213-M281 PolarHBondContact O-N 3.39Å; V213-Y283 HydrophobicContact CG2-CE1 4.18Å; V213-L410 HydrophobicContact CG2-CD2 3.98Å |
| 214 | R | 93.5 | Very high | 88.1 | Confident | 59 Ų | 59 | 39.2 Ų | 39.2 | 22% | 0.223 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.5 | -177.3 | -168.7 | 176 | -62.2 | -173.2 | -4.9 | 110.8 | V188 D189 E212 E277 H278 | V188-R214 CarbonylContact C-O 3.57Å; V188-R214 WeakPolarHBondContact CA-O 3.48Å; D189-R214 HydrophobicContact CB-CB 4.35Å; D189-R214 PolarHBondContact N-O 3.37Å; D189-R214 PolarHBondContact O-N 2.94Å; E212-R214 VanDerWaalsContact CD-NH2 3.34Å; E212-R214 IonicContact OE1-CZ 2.8Å; E212-R214 IonicContact OE1-NE 3.1Å; E212-R214 PolarHBondContact OE1-NE 2.91Å; E212-R214 IonicContact OE1-NH2 3.22Å; E212-R214 PolarHBondContact OE1-NH2 2.82Å; E212-R214 VanDerWaalsContact OE1-NH2 3.11Å; E212-R214 IonicContact OE2-CZ 3.89Å; E212-R214 IonicContact OE2-NE 3.68Å; E212-R214 IonicContact OE2-NH2 3.42Å; E212-R214 PolarHBondContact OE2-NH2 3.04Å; R214-E277 VanDerWaalsContact CD-CG 3.44Å; R214-E277 WeakPolarHBondContact CD-OE1 3.46Å; R214-E277 HydrophobicContact CG-CG 3.92Å; R214-E277 IonicContact CZ-OE1 4Å; R214-E277 IonicContact NE-OE1 2.75Å; R214-E277 IonicContact NH1-OE1 2.98Å; R214-E277 PolarHBondContact NH1-OE1 2.8Å; R214-H278 WeakPolarHBondContact CA-O 3.45Å |
| 215 | V | 91.9 | Very high | 88 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.9 | 178.4 | 175.7 | 0 | 0 | 0 | 0 | 109 | I186 F187 V188 C217 M225 I227 E277 H278 V280 | I186-V215 HydrophobicContact CG2-CG1 4.28Å; F187-V215 CarbonylContact O-C 3.55Å; F187-V215 WeakPolarHBondContact O-CA 3.49Å; V188-V215 HydrophobicContact CG1-CG2 4.34Å; V188-V215 HydrophobicContact CG2-CG2 4.38Å; V215-C217 HydrophobicContact CG1-CB 4.48Å; V215-M225 HydrophobicContact CB-CE 4.36Å; V215-M225 HydrophobicContact CG1-CE 3.83Å; V215-M225 HydrophobicContact CG1-SD 4.27Å; V215-M225 HydrophobicContact CG2-CE 3.81Å; V215-I227 HydrophobicContact CG2-CD1 3.91Å; V215-E277 CarbonylContact O-C 3.37Å; V215-E277 WeakPolarHBondContact O-CA 3.44Å; V215-H278 PolarHBondContact N-O 2.89Å; V215-H278 PolarHBondContact O-N 3.29Å; V215-V280 HydrophobicContact CB-CG1 4.03Å; V215-V280 HydrophobicContact CG2-CB 4.45Å; V215-V280 HydrophobicContact CG2-CG1 3.61Å; V215-V280 HydrophobicContact CG2-CG2 3.92Å |
| 216 | K | 87.8 | Confident | 88 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 108.7 | 168.1 | -52.9 | 177.9 | -177.8 | 176.8 | 0 | 108.4 | I186 F187 D189 Y218 G276 E277 | I186-K216 WeakPolarHBondContact CA-O 3.45Å; F187-K216 HydrophobicContact CB-CB 4.1Å; F187-K216 HydrophobicContact CD2-CB 4.18Å; F187-K216 PolarHBondContact N-O 2.91Å; F187-K216 PolarHBondContact O-N 2.93Å; D189-K216 WeakPolarHBondContact OD2-CE 3.46Å; D189-K216 IonicContact OD2-NZ 3.93Å; D189-K216 PolarHBondContact OD2-NZ 2.7Å; K216-Y218 HydrophobicContact CB-CE2 3.86Å; K216-G276 VanDerWaalsContact CA-O 3.3Å; K216-G276 WeakPolarHBondContact CA-O 3.26Å; K216-E277 HydrophobicContact CD-CG 4.44Å; K216-E277 VanDerWaalsContact CE-CD 3.44Å; K216-E277 WeakPolarHBondContact CE-OE1 3.45Å; K216-E277 HydrophobicContact CG-CB 4.11Å; K216-E277 HydrophobicContact CG-CG 3.97Å; K216-E277 IonicContact NZ-OE1 2.72Å |
| 217 | C | 84.8 | Confident | 88 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117.5 | -177.9 | -172.9 | 0 | 0 | 0 | 0 | 110 | V215 P273 S274 G276 | V215-C217 HydrophobicContact CG1-CB 4.48Å; C217-P273 HydrophobicContact CB-CB 4.16Å; C217-S274 VanDerWaalsContact CB-O 3.29Å; C217-S274 WeakPolarHBondContact CB-O 3.34Å; C217-G276 PolarHBondContact N-O 3.13Å; C217-G276 PolarHBondContact O-N 2.93Å |
| 218 | Y | 81.6 | Confident | 88.1 | Confident | 43 Ų | 43 | 29.7 Ų | 29.7 | 17% | 0.169 | 16% | 0.159 | C | C | . | . | trans | -110.5 | 22.8 | 172.8 | -59.6 | -78.6 | 0 | 0 | 0 | 111.5 | A169 R172 E185 F187 K216 | A169-Y218 PolarHBondContact O-OH 2.91Å; R172-Y218 HydrophobicContact CB-CE1 3.85Å; E185-Y218 PolarHBondContact O-N 2.87Å; F187-Y218 AromaticContact CD2-CD2 3.92Å; F187-Y218 HydrophobicContact CD2-CD2 3.92Å; F187-Y218 AromaticContact CD2-CE2 3.78Å; F187-Y218 HydrophobicContact CD2-CE2 3.78Å; F187-Y218 AromaticContact CE2-CD2 3.71Å; F187-Y218 HydrophobicContact CE2-CD2 3.71Å; F187-Y218 AromaticContact CE2-CE2 3.76Å; F187-Y218 HydrophobicContact CE2-CE2 3.76Å; K216-Y218 HydrophobicContact CB-CE2 3.86Å | ||
| 219 | M | 75.6 | Confident | 88 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | trans | -91.2 | 136.3 | -179.6 | -59.5 | -160.5 | -46 | 0 | 0 | 111.2 | I186 S221 C222 Q275 L417 | I186-M219 HydrophobicContact CD1-CE 3.22Å; I186-M219 HydrophobicContact CD1-CG 4.13Å; I186-M219 HydrophobicContact CD1-SD 3.59Å; I186-M219 VanDerWaalsContact CD1-SD 3.59Å; I186-M219 HydrophobicContact CG1-CE 4.01Å; I186-M219 HydrophobicContact CG1-CG 3.83Å; I186-M219 HydrophobicContact CG1-SD 3.84Å; M219-S221 VanDerWaalsContact C-N 3.3Å; M219-S221 PolarHBondContact O-N 2.87Å; M219-C222 HydrophobicContact CE-CB 3.4Å; M219-C222 VanDerWaalsContact CE-CB 3.4Å; M219-C222 WeakPolarHBondContact CE-SG 3.31Å; M219-Q275 PolarHBondContact O-NE2 2.9Å; M219-L417 HydrophobicContact CE-CD1 4.06Å; M219-L417 HydrophobicContact CE-CD2 4.47Å; M219-L417 HydrophobicContact SD-CD1 4.12Å | ||
| 220 | P | 67.8 | Low | 87.8 | Confident | 90 Ų | 90 | 29.8 Ų | 29.8 | 58% | 0.584 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -65.2 | -33.8 | -180 | 22.8 | -30.6 | 0 | 0 | 0 | 112.6 | Q275 | P220-Q275 PolarHBondContact O-NE2 2.91Š|
| 221 | S | 70.1 | Confident | 87.3 | Confident | 67 Ų | 67 | 31.1 Ų | 31.1 | 47% | 0.469 | 17% | 0.166 | S | C | . | . | trans | -143.4 | 122 | 175.6 | 55.8 | 0 | 0 | 0 | 0 | 110.5 | M219 H421 | M219-S221 VanDerWaalsContact C-N 3.3Å; M219-S221 PolarHBondContact O-N 2.87Å; S221-H421 PolarHBondContact O-CE1 2.83Å; S221-H421 PolarHBondContact O-NE2 3.05Å | ||
| 222 | C | 74.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 12% | 0.122 | 19% | 0.188 | C | C | . | . | trans | -135.7 | 109.9 | 167.4 | -166.8 | 0 | 0 | 0 | 0 | 106.8 | M219 E224 P273 | M219-C222 HydrophobicContact CE-CB 3.4Å; M219-C222 VanDerWaalsContact CE-CB 3.4Å; M219-C222 WeakPolarHBondContact CE-SG 3.31Å; C222-E224 PolarHBondContact SG-O 2.95Å; C222-P273 HydrophobicContact CB-CG 3.57Å; C222-P273 VanDerWaalsContact SG-CG 3.51Å | ||
| 223 | S | 79.6 | Confident | 86.4 | Confident | 69 Ų | 69 | 35 Ų | 35 | 48% | 0.483 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -76.8 | -32 | -178.5 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | C272 S418 P419 | S223-C272 PolarHBondContact O-SG 2.99Å; S223-S418 PolarHBondContact N-O 2.89Å; S223-S418 VanDerWaalsContact OG-C 3.3Å; S223-S418 PolarHBondContact OG-O 2.85Å; S223-P419 VanDerWaalsContact OG-CD 3.32Å; S223-P419 WeakPolarHBondContact OG-CD 3.29Å |
| 224 | E | 88.4 | Confident | 85.9 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 143.8 | -179.9 | 177.6 | -176.5 | -93.6 | 0 | 0 | 111.7 | C222 R226 R270 L271 L417 S418 | C222-E224 PolarHBondContact SG-O 2.95Å; E224-R226 IonicContact OE1-NH2 3.64Å; E224-R226 IonicContact OE2-CZ 3.26Å; E224-R226 IonicContact OE2-NH1 2.72Å; E224-R226 PolarHBondContact OE2-NH1 3.45Å; E224-R226 IonicContact OE2-NH2 2.92Å; E224-R226 PolarHBondContact OE2-NH2 2.85Å; E224-R270 HydrophobicContact CG-CG 4.27Å; E224-R270 IonicContact OE1-CZ 3.15Å; E224-R270 IonicContact OE1-NE 3.02Å; E224-R270 PolarHBondContact OE1-NE 3.15Å; E224-R270 IonicContact OE1-NH2 3.42Å; E224-R270 PolarHBondContact OE1-NH2 3.34Å; E224-L271 CarbonylContact C-O 3.6Å; E224-L417 CarbonylContact O-C 3.52Å; E224-S418 PolarHBondContact N-O 3.01Å; E224-S418 PolarHBondContact O-N 2.86Å |
| 225 | M | 91.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.2 | 174.2 | 179.1 | 172.8 | 68.1 | 0 | 0 | 109.3 | I186 V215 I227 R270 L271 P273 L415 R416 L417 | I186-M225 HydrophobicContact CG2-SD 4.42Å; V215-M225 HydrophobicContact CB-CE 4.36Å; V215-M225 HydrophobicContact CG1-CE 3.83Å; V215-M225 HydrophobicContact CG1-SD 4.27Å; V215-M225 HydrophobicContact CG2-CE 3.81Å; M225-I227 HydrophobicContact CE-CD1 3.94Å; M225-I227 HydrophobicContact CE-CG1 4.3Å; M225-I227 HydrophobicContact CG-CG1 4.27Å; M225-I227 HydrophobicContact SD-CG1 4.47Å; M225-R270 WeakPolarHBondContact O-CA 3.07Å; M225-L271 HydrophobicContact CB-CG 4.5Å; M225-L271 HydrophobicContact CE-CD1 3.51Å; M225-L271 HydrophobicContact CE-CD2 3.67Å; M225-L271 HydrophobicContact CE-CG 3.58Å; M225-L271 PolarHBondContact N-O 2.66Å; M225-L271 PolarHBondContact O-N 2.65Å; M225-P273 HydrophobicContact CB-CG 4Å; M225-P273 HydrophobicContact CE-CB 3.94Å; M225-P273 HydrophobicContact CE-CG 4.31Å; M225-P273 HydrophobicContact SD-CB 4.48Å; M225-P273 HydrophobicContact SD-CG 4.38Å; M225-L415 HydrophobicContact CG-CD1 3.65Å; M225-L415 HydrophobicContact SD-CD1 3.69Å; M225-R416 CarbonylContact C-O 3.52Å; M225-R416 WeakPolarHBondContact CA-O 3.44Å; M225-L417 HydrophobicContact CB-CD2 4.02Å; M225-L417 HydrophobicContact CG-CD2 3.71Å; M225-L417 HydrophobicContact SD-CD2 4.03Å |
| 226 | R | 93.6 | Very high | 85.1 | Confident | 66 Ų | 66 | 37.2 Ų | 37.2 | 25% | 0.249 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.9 | 172.7 | -70.4 | -174.6 | 176.2 | 88 | 5.2 | 109.9 | E224 E262 I268 L269 R270 F414 R416 | E224-R226 IonicContact OE1-NH2 3.64Å; E224-R226 IonicContact OE2-CZ 3.26Å; E224-R226 IonicContact OE2-NH1 2.72Å; E224-R226 PolarHBondContact OE2-NH1 3.45Å; E224-R226 IonicContact OE2-NH2 2.92Å; E224-R226 PolarHBondContact OE2-NH2 2.85Å; R226-E262 IonicContact CZ-OE1 3.17Å; R226-E262 IonicContact NE-OE1 3.38Å; R226-E262 PolarHBondContact NE-OE1 2.74Å; R226-E262 IonicContact NE-OE2 2.8Å; R226-E262 PolarHBondContact NE-OE2 3.04Å; R226-E262 IonicContact NH2-OE1 3.62Å; R226-E262 PolarHBondContact NH2-OE1 3.45Å; R226-I268 HydrophobicContact CB-CG2 3.81Å; R226-I268 HydrophobicContact CG-CG2 3.98Å; R226-L269 WeakPolarHBondContact CA-O 3.24Å; R226-R270 HydrophobicContact CG-CG 4.41Å; R226-F414 HydrophobicContact CB-CE2 4.35Å; R226-R416 HydrophobicContact CB-CB 4.29Å; R226-R416 PolarHBondContact N-O 2.83Å; R226-R416 PolarHBondContact O-N 2.84Å |
| 227 | I | 95.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.5 | 174.6 | -52.5 | 176.9 | 0 | 0 | 0 | 107.7 | V188 V215 M225 L229 I268 L269 L271 V280 I412 L415 | V188-I227 HydrophobicContact CG1-CD1 4.33Å; V215-I227 HydrophobicContact CG2-CD1 3.91Å; M225-I227 HydrophobicContact CE-CD1 3.94Å; M225-I227 HydrophobicContact CE-CG1 4.3Å; M225-I227 HydrophobicContact CG-CG1 4.27Å; M225-I227 HydrophobicContact SD-CG1 4.47Å; I227-L229 HydrophobicContact CG2-CD2 4.15Å; I227-I268 CarbonylContact O-C 3.53Å; I227-I268 WeakPolarHBondContact O-CA 3.2Å; I227-L269 HydrophobicContact CB-CB 4.25Å; I227-L269 PolarHBondContact N-O 3.07Å; I227-L269 PolarHBondContact O-N 3.31Å; I227-L271 HydrophobicContact CD1-CD2 4.28Å; I227-L271 HydrophobicContact CG1-CD2 4.48Å; I227-V280 HydrophobicContact CD1-CG2 4.3Å; I227-I412 HydrophobicContact CG2-CD1 4.18Å; I227-I412 HydrophobicContact CG2-CG1 4.37Å; I227-I412 HydrophobicContact CG2-CG2 3.91Å; I227-L415 HydrophobicContact CG1-CD1 3.85Å |
| 228 | G | 95.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I412 R413 F414 | G228-I412 CarbonylContact O-C 3.49Å; G228-R413 PolarHBondContact O-N 3.46Å; G228-F414 PolarHBondContact N-O 2.85Å |
| 229 | L | 94.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -92.5 | 178.6 | 173.9 | -50.1 | 179.7 | 0 | 0 | 0 | 110.9 | I227 E231 F263 R267 L269 M281 L410 R413 | I227-L229 HydrophobicContact CG2-CD2 4.15Å; L229-E231 PolarHBondContact O-N 2.82Å; L229-F263 HydrophobicContact CD1-CE2 4.11Å; L229-R267 HydrophobicContact CB-CB 4.31Å; L229-R267 PolarHBondContact N-O 3.14Å; L229-L269 HydrophobicContact CD1-CD1 4.26Å; L229-L269 HydrophobicContact CD1-CG 4.27Å; L229-L269 HydrophobicContact CD2-CD1 4.49Å; L229-M281 HydrophobicContact CD1-CE 4.23Å; L229-M281 HydrophobicContact CD1-SD 3.77Å; L229-L410 HydrophobicContact CB-CD1 4.43Å; L229-L410 HydrophobicContact CD2-CD1 4.4Å; L229-R413 WeakPolarHBondContact O-CD 3.27Å | ||
| 230 | N | 92.6 | Very high | 80.1 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | trans | -49.2 | 136.1 | 173 | -54.7 | 65 | 0 | 0 | 0 | 111.2 | E232 F233 V247 R267 G409 Q411 | N230-E232 VanDerWaalsContact C-N 3.26Å; N230-E232 PolarHBondContact O-N 2.75Å; N230-F233 HydrophobicContact CB-CB 4.36Å; N230-F233 WeakPolarHBondContact O-CB 3.46Å; N230-F233 PolarHBondContact O-N 3.34Å; N230-F233 VanDerWaalsContact O-N 3.09Å; N230-V247 HydrophobicContact CB-CB 4.46Å; N230-V247 HydrophobicContact CB-CG2 4.13Å; N230-V247 VanDerWaalsContact ND2-CG2 3.35Å; N230-V247 WeakPolarHBondContact ND2-CG2 3.29Å; N230-R267 WeakPolarHBondContact O-CG 3.49Å; N230-G409 PolarHBondContact ND2-O 2.96Å; N230-Q411 PolarHBondContact N-O 2.86Å; N230-Q411 PolarHBondContact OD1-N 2.85Å; N230-Q411 PolarHBondContact OD1-O 3.33Å; N230-Q411 VanDerWaalsContact OD1-O 3.1Å | ||
| 231 | E | 86.3 | Confident | 79.3 | Confident | 131 Ų | 131 | 69.3 Ų | 69.3 | 61% | 0.612 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -38.9 | 178.7 | -66.8 | -174.2 | 154.2 | 0 | 0 | 111.8 | L229 F233 R413 | L229-E231 PolarHBondContact O-N 2.82Å; E231-F233 PolarHBondContact O-N 3.4Å; E231-R413 VanDerWaalsContact CD-CZ 3.47Å; E231-R413 VanDerWaalsContact CD-NH1 3.3Å; E231-R413 VanDerWaalsContact CD-NH2 3.34Å; E231-R413 IonicContact OE1-CZ 3.17Å; E231-R413 IonicContact OE1-NH1 3.37Å; E231-R413 PolarHBondContact OE1-NH1 3.39Å; E231-R413 IonicContact OE1-NH2 2.75Å; E231-R413 PolarHBondContact OE1-NH2 3.48Å |
| 232 | E | 84.6 | Confident | 78.3 | Confident | 114 Ų | 114 | 68.9 Ų | 68.9 | 53% | 0.533 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 17.7 | 178.5 | -57.4 | -175.4 | 169.6 | 0 | 0 | 112.7 | N230 S234 A246 | N230-E232 VanDerWaalsContact C-N 3.26Å; N230-E232 PolarHBondContact O-N 2.75Å; E232-S234 PolarHBondContact O-N 3.28Å; E232-A246 HydrophobicContact CB-CB 3.86Å; E232-A246 WeakPolarHBondContact O-CB 3.4Å |
| 233 | F | 88.8 | Confident | 76.9 | Confident | 1 Ų | 1 | 80.1 Ų | 80.1 | 0% | 0.004 | 40% | 0.4 | C | S | . | . | trans | -61.3 | 132.7 | 173.9 | -177.3 | -93.5 | 0 | 0 | 0 | 110 | N230 E231 V235 V247 V249 F263 R267 M281 L410 | N230-F233 HydrophobicContact CB-CB 4.36Å; N230-F233 WeakPolarHBondContact O-CB 3.46Å; N230-F233 PolarHBondContact O-N 3.34Å; N230-F233 VanDerWaalsContact O-N 3.09Å; E231-F233 PolarHBondContact O-N 3.4Å; F233-V235 HydrophobicContact CD1-CG2 4.24Å; F233-V235 HydrophobicContact CE1-CG2 3.43Å; F233-V235 VanDerWaalsContact CE1-CG2 3.43Å; F233-V235 HydrophobicContact CZ-CG2 4.12Å; F233-V247 CarbonylContact C-O 3.57Å; F233-V247 VanDerWaalsContact CA-O 3.28Å; F233-V247 WeakPolarHBondContact CA-O 3.13Å; F233-V247 HydrophobicContact CD2-CB 4.09Å; F233-V247 HydrophobicContact CD2-CG1 3.69Å; F233-V247 HydrophobicContact CE2-CG1 4Å; F233-V249 HydrophobicContact CE1-CG2 4.19Å; F233-V249 HydrophobicContact CE2-CG1 3.92Å; F233-V249 HydrophobicContact CE2-CG2 4.02Å; F233-V249 HydrophobicContact CZ-CB 4.46Å; F233-V249 HydrophobicContact CZ-CG1 4.16Å; F233-V249 HydrophobicContact CZ-CG2 3.44Å; F233-V249 VanDerWaalsContact CZ-CG2 3.44Å; F233-F263 HydrophobicContact CD1-CE2 4.41Å; F233-F263 AromaticContact CD1-CZ 3.98Å; F233-F263 HydrophobicContact CD1-CZ 3.98Å; F233-F263 HydrophobicContact CE1-CE2 4.4Å; F233-F263 AromaticContact CE1-CZ 3.78Å; F233-F263 HydrophobicContact CE1-CZ 3.78Å; F233-R267 HydrophobicContact CB-CG 4.06Å; F233-R267 PolarHBondContact O-NE 2.88Å; F233-R267 PolarHBondContact O-NH2 2.96Å; F233-R267 VanDerWaalsContact O-NH2 3.11Å; F233-M281 HydrophobicContact CE1-CE 3.89Å; F233-M281 HydrophobicContact CE2-CE 4.1Å; F233-M281 HydrophobicContact CZ-CE 3.37Å; F233-L410 HydrophobicContact CD2-CD1 3.8Å; F233-L410 HydrophobicContact CE2-CD1 3.9Å | ||
| 234 | S | 86.6 | Confident | 75.6 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 22% | 0.217 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 144.8 | -179.7 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | E232 V247 R248 V249 | E232-S234 PolarHBondContact O-N 3.28Å; S234-V247 PolarHBondContact N-O 2.94Å; S234-R248 WeakPolarHBondContact O-CA 3.39Å; S234-V249 PolarHBondContact O-N 3.42Å |
| 235 | V | 87.3 | Confident | 74 | Confident | 61 Ų | 61 | 82 Ų | 82 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.8 | 179.7 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | F233 V249 C252 | F233-V235 HydrophobicContact CD1-CG2 4.24Å; F233-V235 HydrophobicContact CE1-CG2 3.43Å; F233-V235 VanDerWaalsContact CE1-CG2 3.43Å; F233-V235 HydrophobicContact CZ-CG2 4.12Å; V235-V249 CarbonylContact C-O 3.58Å; V235-V249 WeakPolarHBondContact CA-O 3.32Å; V235-V249 HydrophobicContact CB-CG2 4.44Å; V235-V249 HydrophobicContact CG1-CG2 4.4Å; V235-V249 HydrophobicContact CG2-CG2 3.99Å; V235-C252 HydrophobicContact CG2-CB 4.38Å; V235-C252 VanDerWaalsContact CG2-SG 3.52Å |
| 236 | G | 81.9 | Confident | 73 | Confident | 20 Ų | 20 | 84.1 Ų | 84.1 | 21% | 0.206 | 45% | 0.446 | C | S | . | . | S | Bend | trans | 88.6 | -179.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S238 R248 V249 D250 | G236-S238 PolarHBondContact O-N 3.47Å; G236-S238 VanDerWaalsContact O-N 3.12Å; G236-R248 PolarHBondContact O-NE 3.42Å; G236-V249 PolarHBondContact N-O 2.6Å; G236-D250 WeakPolarHBondContact CA-O 3.44Å; G236-D250 PolarHBondContact N-O 3.32Å |
| 237 | K | 65.8 | Low | 72.6 | Confident | 171 Ų | 171 | 81.2 Ų | 81.2 | 74% | 0.743 | 44% | 0.436 | S | S | * | . | trans | -86.8 | 44.6 | -176.1 | -52.9 | -168 | 176.2 | -176.1 | 0 | 113 | Q239 | K237-Q239 PolarHBondContact O-N 3.01Š| ||
| 238 | S | 55.6 | Low | 72.2 | Confident | 78 Ų | 78 | 84 Ų | 84 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | trans | -66.2 | 130.5 | 178.8 | -173 | 0 | 0 | 0 | 0 | 110.7 | G236 L240 | G236-S238 PolarHBondContact O-N 3.47Å; G236-S238 VanDerWaalsContact O-N 3.12Å; S238-L240 PolarHBondContact O-N 3.48Å; S238-L240 VanDerWaalsContact O-N 3.14Å | ||
| 239 | Q | 50.5 | Low | 72.1 | Confident | 189 Ų | 189 | 84 Ų | 84 | 88% | 0.883 | 45% | 0.446 | S | S | * | . | trans | -73.2 | 1.4 | -170.6 | -69 | -166.5 | -11.2 | 0 | 0 | 115.3 | K237 R241 | K237-Q239 PolarHBondContact O-N 3.01Å; Q239-R241 VanDerWaalsContact C-N 3.31Å; Q239-R241 PolarHBondContact O-N 3.33Å | ||
| 240 | L | 50.9 | Low | 71.9 | Confident | 158 Ų | 158 | 85.7 Ų | 85.7 | 83% | 0.827 | 46% | 0.456 | S | S | * | . | trans | -80.7 | 81.2 | 179.6 | -74.4 | 161.4 | 0 | 0 | 0 | 110.2 | S238 G242 | S238-L240 PolarHBondContact O-N 3.48Å; S238-L240 VanDerWaalsContact O-N 3.14Å; L240-G242 PolarHBondContact O-N 2.9Å | ||
| 241 | R | 51.4 | Low | 71.8 | Confident | 224 Ų | 224 | 88.7 Ų | 88.7 | 85% | 0.845 | 47% | 0.469 | S | S | * | . | trans | -68.3 | 82.2 | 161.5 | -72.8 | -168.7 | -177.4 | -168.6 | 0.5 | 108.9 | Q239 | Q239-R241 VanDerWaalsContact C-N 3.31Å; Q239-R241 PolarHBondContact O-N 3.33Å | ||
| 242 | G | 49.9 | Very low | 72.1 | Confident | 59 Ų | 59 | 84.1 Ų | 84.1 | 61% | 0.608 | 45% | 0.451 | S | S | * | . | trans | -64 | 143.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L240 G244 | L240-G242 PolarHBondContact O-N 2.9Å; G242-G244 PolarHBondContact O-N 2.82Å | ||
| 243 | Y | 45.5 | Very low | 72.5 | Confident | 253 Ų | 253 | 81.4 Ų | 81.4 | 99% | 0.992 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -72.2 | 41.8 | 179.1 | -83 | -93.1 | 0 | 0 | 0 | 113.1 | ||
| 244 | G | 52 | Low | 72.7 | Confident | 38 Ų | 38 | 83.9 Ų | 83.9 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -137.7 | 153.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G242 A246 | G242-G244 PolarHBondContact O-N 2.82Å; G244-A246 PolarHBondContact O-N 3.44Å |
| 245 | A | 54.2 | Low | 72.8 | Confident | 101 Ų | 101 | 85.3 Ų | 85.3 | 84% | 0.835 | 46% | 0.458 | S | S | * | . | trans | -72.2 | 67.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V247 | A245-V247 PolarHBondContact O-N 3.19Š| ||
| 246 | A | 70.8 | Confident | 72.7 | Confident | 44 Ų | 44 | 90.2 Ų | 90.2 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | trans | -65 | 122.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | E232 G244 R248 | E232-A246 HydrophobicContact CB-CB 3.86Å; E232-A246 WeakPolarHBondContact O-CB 3.4Å; G244-A246 PolarHBondContact O-N 3.44Å; A246-R248 PolarHBondContact O-N 2.88Å; A246-R248 VanDerWaalsContact O-N 3.09Å | ||
| 247 | V | 85.4 | Confident | 72.8 | Confident | 5 Ų | 5 | 90.9 Ų | 90.9 | 3% | 0.03 | 48% | 0.479 | C | S | . | . | trans | -65.1 | 113.2 | 171.2 | 177.4 | 0 | 0 | 0 | 0 | 107 | N230 F233 S234 A245 G409 L410 | N230-V247 HydrophobicContact CB-CB 4.46Å; N230-V247 HydrophobicContact CB-CG2 4.13Å; N230-V247 VanDerWaalsContact ND2-CG2 3.35Å; N230-V247 WeakPolarHBondContact ND2-CG2 3.29Å; F233-V247 CarbonylContact C-O 3.57Å; F233-V247 VanDerWaalsContact CA-O 3.28Å; F233-V247 WeakPolarHBondContact CA-O 3.13Å; F233-V247 HydrophobicContact CD2-CB 4.09Å; F233-V247 HydrophobicContact CD2-CG1 3.69Å; F233-V247 HydrophobicContact CE2-CG1 4Å; S234-V247 PolarHBondContact N-O 2.94Å; A245-V247 PolarHBondContact O-N 3.19Å; V247-G409 VanDerWaalsContact CG2-C 3.47Å; V247-G409 VanDerWaalsContact CG2-O 3.26Å; V247-G409 WeakPolarHBondContact CG2-O 3.38Å; V247-L410 HydrophobicContact CG1-CB 4.23Å; V247-L410 HydrophobicContact CG1-CD1 4.21Å | ||
| 248 | R | 87.1 | Confident | 74 | Confident | 59 Ų | 59 | 83.5 Ų | 83.5 | 22% | 0.223 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.8 | -179.4 | -178.9 | 171.3 | 160.5 | -130.4 | -24.2 | 109.5 | S234 G236 A246 D250 E288 | S234-R248 WeakPolarHBondContact O-CA 3.39Å; G236-R248 PolarHBondContact O-NE 3.42Å; A246-R248 PolarHBondContact O-N 2.88Å; A246-R248 VanDerWaalsContact O-N 3.09Å; R248-D250 IonicContact NH2-OD1 3.86Å; R248-E288 IonicContact CZ-OE2 2.7Å; R248-E288 IonicContact NH1-OE2 3.52Å; R248-E288 PolarHBondContact NH1-OE2 2.84Å; R248-E288 IonicContact NH2-OE2 3.67Å; R248-E288 PolarHBondContact NH2-OE2 3.24Å |
| 249 | V | 91.4 | Very high | 75.7 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.7 | 172.4 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | F233 S234 V235 G236 Y283 R284 | F233-V249 HydrophobicContact CE1-CG2 4.19Å; F233-V249 HydrophobicContact CE2-CG1 3.92Å; F233-V249 HydrophobicContact CE2-CG2 4.02Å; F233-V249 HydrophobicContact CZ-CB 4.46Å; F233-V249 HydrophobicContact CZ-CG1 4.16Å; F233-V249 HydrophobicContact CZ-CG2 3.44Å; F233-V249 VanDerWaalsContact CZ-CG2 3.44Å; S234-V249 PolarHBondContact O-N 3.42Å; V235-V249 CarbonylContact C-O 3.58Å; V235-V249 WeakPolarHBondContact CA-O 3.32Å; V235-V249 HydrophobicContact CB-CG2 4.44Å; V235-V249 HydrophobicContact CG1-CG2 4.4Å; V235-V249 HydrophobicContact CG2-CG2 3.99Å; G236-V249 PolarHBondContact N-O 2.6Å; V249-Y283 HydrophobicContact CG1-CD2 3.69Å; V249-Y283 HydrophobicContact CG1-CG 4.18Å; V249-R284 WeakPolarHBondContact CB-O 3.14Å |
| 250 | D | 90.4 | Very high | 77.6 | Confident | 36 Ų | 36 | 77.3 Ų | 77.3 | 19% | 0.193 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -75.8 | -40.7 | 179.2 | -68.3 | -54.9 | 0 | 0 | 0 | 111.5 | G236 R248 R284 S286 | G236-D250 WeakPolarHBondContact CA-O 3.44Å; G236-D250 PolarHBondContact N-O 3.32Å; R248-D250 IonicContact NH2-OD1 3.86Å; D250-R284 PolarHBondContact N-O 2.82Å; D250-S286 PolarHBondContact OD2-N 3.4Å |
| 251 | E | 90.6 | Very high | 79.5 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.9 | 179.5 | 57.3 | 175.7 | -125.6 | 0 | 0 | 111.1 | Y283 R284 | E251-Y283 VanDerWaalsContact O-CA 3.28Å; E251-Y283 WeakPolarHBondContact O-CA 3.34Å; E251-R284 HydrophobicContact CG-CB 3.77Å; E251-R284 PolarHBondContact N-O 2.94Å; E251-R284 PolarHBondContact O-N 3.03Å; E251-R284 IonicContact OE1-CZ 2.84Å; E251-R284 IonicContact OE1-NE 3.31Å; E251-R284 IonicContact OE1-NH1 2.64Å; E251-R284 PolarHBondContact OE1-NH1 3.24Å; E251-R284 IonicContact OE1-NH2 3.21Å; E251-R284 PolarHBondContact OE1-NH2 3.26Å; E251-R284 IonicContact OE2-CZ 3.73Å; E251-R284 IonicContact OE2-NH1 3.04Å; E251-R284 PolarHBondContact OE2-NH1 3.5Å |
| 252 | C | 92.7 | Very high | 81.4 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.6 | 169.7 | 64.7 | 0 | 0 | 0 | 0 | 110.4 | V235 F254 M281 Q282 | V235-C252 HydrophobicContact CG2-CB 4.38Å; V235-C252 VanDerWaalsContact CG2-SG 3.52Å; C252-F254 HydrophobicContact CB-CE2 4.44Å; C252-F254 HydrophobicContact CB-CZ 4.2Å; C252-F254 WeakPolarHBondContact SG-CE2 3.25Å; C252-F254 WeakPolarHBondContact SG-CZ 3.48Å; C252-M281 HydrophobicContact CB-CE 3.98Å; C252-Q282 CarbonylContact C-O 3.58Å; C252-Q282 WeakPolarHBondContact CA-O 3.45Å |
| 253 | S | 92.9 | Very high | 83.4 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151 | 169.6 | 63.5 | 0 | 0 | 0 | 0 | 109.5 | M281 Q282 | S253-M281 CarbonylContact O-C 3.59Å; S253-M281 WeakPolarHBondContact O-CA 3.34Å; S253-Q282 PolarHBondContact N-O 3.44Å; S253-Q282 PolarHBondContact O-N 2.8Å; S253-Q282 WeakPolarHBondContact OG-CB 3.37Å |
| 254 | F | 93.4 | Very high | 85.2 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.3 | -177.5 | -58.7 | -77.7 | 0 | 0 | 0 | 110.1 | C252 V258 L260 F263 L269 M281 | C252-F254 HydrophobicContact CB-CE2 4.44Å; C252-F254 HydrophobicContact CB-CZ 4.2Å; C252-F254 WeakPolarHBondContact SG-CE2 3.25Å; C252-F254 WeakPolarHBondContact SG-CZ 3.48Å; F254-V258 HydrophobicContact CB-CB 4.27Å; F254-V258 HydrophobicContact CD1-CG1 4.44Å; F254-L260 HydrophobicContact CB-CD2 4.32Å; F254-L260 HydrophobicContact CD1-CD2 3.96Å; F254-L260 HydrophobicContact CD2-CD1 3.78Å; F254-L260 HydrophobicContact CD2-CD2 3.67Å; F254-L260 HydrophobicContact CD2-CG 4.38Å; F254-L260 HydrophobicContact CE1-CD2 4.19Å; F254-L260 HydrophobicContact CE2-CD1 4.23Å; F254-L260 HydrophobicContact CE2-CD2 3.9Å; F254-L260 HydrophobicContact CG-CD1 4.4Å; F254-L260 HydrophobicContact CG-CD2 3.7Å; F254-L260 HydrophobicContact CZ-CD2 4.16Å; F254-F263 HydrophobicContact CE1-CD2 4.46Å; F254-F263 HydrophobicContact CE1-CE2 4.08Å; F254-F263 HydrophobicContact CE1-CZ 4.18Å; F254-F263 HydrophobicContact CE2-CE1 4.22Å; F254-F263 HydrophobicContact CE2-CZ 4.45Å; F254-F263 HydrophobicContact CZ-CD1 4.16Å; F254-F263 HydrophobicContact CZ-CD2 4.33Å; F254-F263 AromaticContact CZ-CE1 3.67Å; F254-F263 HydrophobicContact CZ-CE1 3.67Å; F254-F263 AromaticContact CZ-CE2 3.85Å; F254-F263 HydrophobicContact CZ-CE2 3.85Å; F254-F263 HydrophobicContact CZ-CG 4.46Å; F254-F263 AromaticContact CZ-CZ 3.5Å; F254-F263 HydrophobicContact CZ-CZ 3.5Å; F254-F263 VanDerWaalsContact CZ-CZ 3.5Å; F254-L269 HydrophobicContact CD1-CD2 3.87Å; F254-L269 HydrophobicContact CE1-CD2 3.48Å; F254-L269 VanDerWaalsContact CE1-CD2 3.48Å; F254-L269 HydrophobicContact CZ-CD2 4.45Å; F254-M281 HydrophobicContact CD1-CB 4.01Å; F254-M281 HydrophobicContact CD1-CG 3.92Å; F254-M281 HydrophobicContact CE1-CB 4.18Å; F254-M281 HydrophobicContact CE1-CE 4.25Å; F254-M281 HydrophobicContact CE1-CG 3.65Å; F254-M281 HydrophobicContact CE1-SD 3.78Å |
| 255 | H | 89.6 | Confident | 86.8 | Confident | 60 Ų | 60 | 60 Ų | 60 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | trans | -67.2 | 149.1 | 169.7 | -173.6 | -103.8 | 0 | 0 | 0 | 110.8 | S257 V258 A279 V280 | H255-S257 WeakPolarHBondContact ND1-CB 3.46Å; H255-S257 PolarHBondContact ND1-N 2.65Å; H255-S257 PolarHBondContact ND1-OG 3.22Å; H255-S257 PolarHBondContact O-N 3.1Å; H255-V258 HydrophobicContact CB-CG2 4.31Å; H255-V258 WeakPolarHBondContact O-CB 3.4Å; H255-V258 PolarHBondContact O-N 2.95Å; H255-A279 VanDerWaalsContact CB-O 3.31Å; H255-A279 WeakPolarHBondContact CB-O 3.49Å; H255-V280 PolarHBondContact N-O 2.57Å | ||
| 256 | Q | 84.4 | Confident | 88.4 | Confident | 165 Ų | 165 | 60.7 Ų | 60.7 | 77% | 0.771 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22.4 | -179.1 | 62.2 | 179.7 | -3.2 | 0 | 0 | 114.5 | V258 | Q256-V258 VanDerWaalsContact C-N 3.25Å; Q256-V258 PolarHBondContact O-N 2.8Å |
| 257 | S | 84.6 | Confident | 89.4 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 24% | 0.238 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8.3 | 177.1 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | H255 L271 | H255-S257 WeakPolarHBondContact ND1-CB 3.46Å; H255-S257 PolarHBondContact ND1-N 2.65Å; H255-S257 PolarHBondContact ND1-OG 3.22Å; H255-S257 PolarHBondContact O-N 3.1Å; S257-L271 WeakPolarHBondContact O-CA 3.49Å; S257-L271 VanDerWaalsContact O-CB 3.29Å; S257-L271 WeakPolarHBondContact O-CB 3.34Å |
| 258 | V | 90.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.2 | -178.6 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | F254 H255 Q256 L260 L269 R270 L271 V280 | F254-V258 HydrophobicContact CB-CB 4.27Å; F254-V258 HydrophobicContact CD1-CG1 4.44Å; H255-V258 HydrophobicContact CB-CG2 4.31Å; H255-V258 WeakPolarHBondContact O-CB 3.4Å; H255-V258 PolarHBondContact O-N 2.95Å; Q256-V258 VanDerWaalsContact C-N 3.25Å; Q256-V258 PolarHBondContact O-N 2.8Å; V258-L260 HydrophobicContact CG1-CD2 3.82Å; V258-L269 HydrophobicContact CG1-CB 4.12Å; V258-L269 HydrophobicContact CG1-CD2 4.12Å; V258-R270 CarbonylContact C-O 3.55Å; V258-R270 WeakPolarHBondContact CA-O 3.48Å; V258-L271 HydrophobicContact CG2-CB 4.37Å; V258-V280 HydrophobicContact CG2-CB 4.2Å; V258-V280 WeakPolarHBondContact CG2-O 3.26Å |
| 259 | Q | 90.6 | Very high | 90.2 | Very high | 78 Ų | 78 | 59 Ų | 59 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.9 | 169.1 | -59.5 | 177.1 | 17.6 | 0 | 0 | 108.7 | D261 R270 | Q259-D261 WeakPolarHBondContact CB-OD1 3.5Å; Q259-R270 HydrophobicContact CB-CB 4.3Å; Q259-R270 PolarHBondContact N-O 2.8Å; Q259-R270 VanDerWaalsContact OE1-CZ 3.26Å |
| 260 | L | 90.6 | Very high | 90.3 | Very high | 60 Ų | 60 | 61.9 Ų | 61.9 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | trans | -99.4 | 7.4 | -173.6 | -59.5 | 176.9 | 0 | 0 | 0 | 113.4 | F254 V258 E262 F263 | F254-L260 HydrophobicContact CB-CD2 4.32Å; F254-L260 HydrophobicContact CD1-CD2 3.96Å; F254-L260 HydrophobicContact CD2-CD1 3.78Å; F254-L260 HydrophobicContact CD2-CD2 3.67Å; F254-L260 HydrophobicContact CD2-CG 4.38Å; F254-L260 HydrophobicContact CE1-CD2 4.19Å; F254-L260 HydrophobicContact CE2-CD1 4.23Å; F254-L260 HydrophobicContact CE2-CD2 3.9Å; F254-L260 HydrophobicContact CG-CD1 4.4Å; F254-L260 HydrophobicContact CG-CD2 3.7Å; F254-L260 HydrophobicContact CZ-CD2 4.16Å; V258-L260 HydrophobicContact CG1-CD2 3.82Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 2.8Å; L260-F263 HydrophobicContact CB-CB 4.24Å; L260-F263 HydrophobicContact CD2-CB 4.06Å; L260-F263 HydrophobicContact CD2-CG 4.24Å; L260-F263 WeakPolarHBondContact O-CB 3.47Å; L260-F263 PolarHBondContact O-N 2.72Å; L260-F263 VanDerWaalsContact O-N 3.13Å | ||
| 261 | D | 91.7 | Very high | 90.4 | Very high | 91 Ų | 91 | 60.3 Ų | 60.3 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -43.9 | 177.9 | 57.3 | -33.6 | 0 | 0 | 0 | 112.3 | Q259 R270 | Q259-D261 WeakPolarHBondContact CB-OD1 3.5Å; D261-R270 IonicContact OD2-NH1 2.59Å; D261-R270 PolarHBondContact OD2-NH1 3.21Å; D261-R270 VanDerWaalsContact OD2-NH1 3.15Å |
| 262 | E | 91.5 | Very high | 90.2 | Very high | 35 Ų | 35 | 59.1 Ų | 59.1 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -11.6 | 177.8 | -60.2 | -176.3 | -150.3 | 0 | 0 | 113.2 | R226 L260 H266 R267 I268 | R226-E262 IonicContact CZ-OE1 3.17Å; R226-E262 IonicContact NE-OE1 3.38Å; R226-E262 PolarHBondContact NE-OE1 2.74Å; R226-E262 IonicContact NE-OE2 2.8Å; R226-E262 PolarHBondContact NE-OE2 3.04Å; R226-E262 IonicContact NH2-OE1 3.62Å; R226-E262 PolarHBondContact NH2-OE1 3.45Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 2.8Å; E262-H266 WeakPolarHBondContact O-CB 3.03Å; E262-H266 PolarHBondContact O-N 3.19Å; E262-R267 PolarHBondContact O-N 2.79Å; E262-I268 HydrophobicContact CB-CB 3.89Å; E262-I268 HydrophobicContact CB-CG2 4.33Å; E262-I268 WeakPolarHBondContact OE2-CD1 3.46Å |
| 263 | F | 90.4 | Very high | 89.6 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 4% | 0.044 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.6 | -43 | -172.6 | -179 | -104 | 0 | 0 | 0 | 112.5 | L229 F233 F254 L260 S265 R267 I268 L269 | L229-F263 HydrophobicContact CD1-CE2 4.11Å; F233-F263 HydrophobicContact CD1-CE2 4.41Å; F233-F263 AromaticContact CD1-CZ 3.98Å; F233-F263 HydrophobicContact CD1-CZ 3.98Å; F233-F263 HydrophobicContact CE1-CE2 4.4Å; F233-F263 AromaticContact CE1-CZ 3.78Å; F233-F263 HydrophobicContact CE1-CZ 3.78Å; F254-F263 HydrophobicContact CE1-CD2 4.46Å; F254-F263 HydrophobicContact CE1-CE2 4.08Å; F254-F263 HydrophobicContact CE1-CZ 4.18Å; F254-F263 HydrophobicContact CE2-CE1 4.22Å; F254-F263 HydrophobicContact CE2-CZ 4.45Å; F254-F263 HydrophobicContact CZ-CD1 4.16Å; F254-F263 HydrophobicContact CZ-CD2 4.33Å; F254-F263 AromaticContact CZ-CE1 3.67Å; F254-F263 HydrophobicContact CZ-CE1 3.67Å; F254-F263 AromaticContact CZ-CE2 3.85Å; F254-F263 HydrophobicContact CZ-CE2 3.85Å; F254-F263 HydrophobicContact CZ-CG 4.46Å; F254-F263 AromaticContact CZ-CZ 3.5Å; F254-F263 HydrophobicContact CZ-CZ 3.5Å; F254-F263 VanDerWaalsContact CZ-CZ 3.5Å; L260-F263 HydrophobicContact CB-CB 4.24Å; L260-F263 HydrophobicContact CD2-CB 4.06Å; L260-F263 HydrophobicContact CD2-CG 4.24Å; L260-F263 WeakPolarHBondContact O-CB 3.47Å; L260-F263 PolarHBondContact O-N 2.72Å; L260-F263 VanDerWaalsContact O-N 3.13Å; F263-S265 VanDerWaalsContact C-N 3.35Å; F263-S265 PolarHBondContact O-N 3.09Å; F263-R267 VanDerWaalsContact O-CA 3.29Å; F263-R267 WeakPolarHBondContact O-CA 3.34Å; F263-R267 WeakPolarHBondContact O-CD 3.32Å; F263-R267 PolarHBondContact O-N 3.47Å; F263-R267 PolarHBondContact O-NH1 2.83Å; F263-I268 WeakPolarHBondContact CA-O 3.18Å; F263-I268 PolarHBondContact N-O 2.86Å; F263-L269 HydrophobicContact CD2-CD2 3.52Å; F263-L269 HydrophobicContact CE2-CD2 3.83Å; F263-L269 HydrophobicContact CG-CD2 4.44Å |
| 264 | H | 83.3 | Confident | 88.8 | Confident | 137 Ų | 137 | 56.2 Ų | 56.2 | 63% | 0.634 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.4 | -31.5 | -176.1 | -71.5 | -72.7 | 0 | 0 | 0 | 114 | R267 | H264-R267 PolarHBondContact O-NH1 3.29Å |
| 265 | S | 85.8 | Confident | 88.1 | Confident | 95 Ų | 95 | 55 Ų | 55 | 66% | 0.664 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -99.6 | -36.3 | -177.5 | -57.8 | 0 | 0 | 0 | 0 | 113 | F263 | F263-S265 VanDerWaalsContact C-N 3.35Å; F263-S265 PolarHBondContact O-N 3.09Å |
| 266 | H | 88.2 | Confident | 87.5 | Confident | 116 Ų | 116 | 52.3 Ų | 52.3 | 54% | 0.537 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -122.2 | -4 | -169.3 | -57.5 | -58.3 | 0 | 0 | 0 | 114.2 | E262 I268 | E262-H266 WeakPolarHBondContact O-CB 3.03Å; E262-H266 PolarHBondContact O-N 3.19Å; H266-I268 HydrophobicContact CB-CB 4.48Å; H266-I268 HydrophobicContact CB-CD1 3.56Å; H266-I268 HydrophobicContact CB-CG1 3.73Å; H266-I268 PolarHBondContact O-N 2.95Å |
| 267 | R | 92.3 | Very high | 87.4 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 20% | 0.2 | 24% | 0.238 | C | C | . | . | trans | 55.3 | 39.3 | -174.6 | -58.6 | -65.2 | -177.1 | -88.6 | -12.2 | 112.3 | L229 N230 F233 E262 F263 H264 | L229-R267 HydrophobicContact CB-CB 4.31Å; L229-R267 PolarHBondContact N-O 3.14Å; N230-R267 WeakPolarHBondContact O-CG 3.49Å; F233-R267 HydrophobicContact CB-CG 4.06Å; F233-R267 PolarHBondContact O-NE 2.88Å; F233-R267 PolarHBondContact O-NH2 2.96Å; F233-R267 VanDerWaalsContact O-NH2 3.11Å; E262-R267 PolarHBondContact O-N 2.79Å; F263-R267 VanDerWaalsContact O-CA 3.29Å; F263-R267 WeakPolarHBondContact O-CA 3.34Å; F263-R267 WeakPolarHBondContact O-CD 3.32Å; F263-R267 PolarHBondContact O-N 3.47Å; F263-R267 PolarHBondContact O-NH1 2.83Å; H264-R267 PolarHBondContact O-NH1 3.29Å | ||
| 268 | I | 94.7 | Very high | 87.3 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.9 | 177.3 | -60.7 | 172.7 | 0 | 0 | 0 | 108.4 | R226 I227 E262 F263 H266 F414 | R226-I268 HydrophobicContact CB-CG2 3.81Å; R226-I268 HydrophobicContact CG-CG2 3.98Å; I227-I268 CarbonylContact O-C 3.53Å; I227-I268 WeakPolarHBondContact O-CA 3.2Å; E262-I268 HydrophobicContact CB-CB 3.89Å; E262-I268 HydrophobicContact CB-CG2 4.33Å; E262-I268 WeakPolarHBondContact OE2-CD1 3.46Å; F263-I268 WeakPolarHBondContact CA-O 3.18Å; F263-I268 PolarHBondContact N-O 2.86Å; H266-I268 HydrophobicContact CB-CB 4.48Å; H266-I268 HydrophobicContact CB-CD1 3.56Å; H266-I268 HydrophobicContact CB-CG1 3.73Å; H266-I268 PolarHBondContact O-N 2.95Å; I268-F414 HydrophobicContact CD1-CZ 3.84Å; I268-F414 HydrophobicContact CG1-CZ 3.9Å |
| 269 | L | 94.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 113.8 | 166.4 | -51.7 | 176.4 | 0 | 0 | 0 | 107.8 | R226 I227 L229 F254 V258 F263 L271 V280 M281 | R226-L269 WeakPolarHBondContact CA-O 3.24Å; I227-L269 HydrophobicContact CB-CB 4.25Å; I227-L269 PolarHBondContact N-O 3.07Å; I227-L269 PolarHBondContact O-N 3.31Å; L229-L269 HydrophobicContact CD1-CD1 4.26Å; L229-L269 HydrophobicContact CD1-CG 4.27Å; L229-L269 HydrophobicContact CD2-CD1 4.49Å; F254-L269 HydrophobicContact CD1-CD2 3.87Å; F254-L269 HydrophobicContact CE1-CD2 3.48Å; F254-L269 VanDerWaalsContact CE1-CD2 3.48Å; F254-L269 HydrophobicContact CZ-CD2 4.45Å; V258-L269 HydrophobicContact CG1-CB 4.12Å; V258-L269 HydrophobicContact CG1-CD2 4.12Å; F263-L269 HydrophobicContact CD2-CD2 3.52Å; F263-L269 HydrophobicContact CE2-CD2 3.83Å; F263-L269 HydrophobicContact CG-CD2 4.44Å; L269-L271 HydrophobicContact CB-CD2 4.34Å; L269-V280 HydrophobicContact CD1-CG2 4.49Å; L269-M281 HydrophobicContact CD1-CB 4.07Å; L269-M281 HydrophobicContact CD1-SD 3.94Å; L269-M281 HydrophobicContact CD2-SD 4.47Å |
| 270 | R | 94 | Very high | 87.5 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.3 | 176.5 | -178.4 | -178.7 | 177.3 | -143.6 | -8.5 | 108.7 | E224 M225 R226 V258 Q259 D261 | E224-R270 HydrophobicContact CG-CG 4.27Å; E224-R270 IonicContact OE1-CZ 3.15Å; E224-R270 IonicContact OE1-NE 3.02Å; E224-R270 PolarHBondContact OE1-NE 3.15Å; E224-R270 IonicContact OE1-NH2 3.42Å; E224-R270 PolarHBondContact OE1-NH2 3.34Å; M225-R270 WeakPolarHBondContact O-CA 3.07Å; R226-R270 HydrophobicContact CG-CG 4.41Å; V258-R270 CarbonylContact C-O 3.55Å; V258-R270 WeakPolarHBondContact CA-O 3.48Å; Q259-R270 HydrophobicContact CB-CB 4.3Å; Q259-R270 PolarHBondContact N-O 2.8Å; Q259-R270 VanDerWaalsContact OE1-CZ 3.26Å; D261-R270 IonicContact OD2-NH1 2.59Å; D261-R270 PolarHBondContact OD2-NH1 3.21Å; D261-R270 VanDerWaalsContact OD2-NH1 3.15Å |
| 271 | L | 91.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 158 | 179.4 | 59.4 | 155.5 | 0 | 0 | 0 | 111.9 | E224 M225 I227 S257 V258 L269 P273 V280 | E224-L271 CarbonylContact C-O 3.6Å; M225-L271 HydrophobicContact CB-CG 4.5Å; M225-L271 HydrophobicContact CE-CD1 3.51Å; M225-L271 HydrophobicContact CE-CD2 3.67Å; M225-L271 HydrophobicContact CE-CG 3.58Å; M225-L271 PolarHBondContact N-O 2.66Å; M225-L271 PolarHBondContact O-N 2.65Å; I227-L271 HydrophobicContact CD1-CD2 4.28Å; I227-L271 HydrophobicContact CG1-CD2 4.48Å; S257-L271 WeakPolarHBondContact O-CA 3.49Å; S257-L271 VanDerWaalsContact O-CB 3.29Å; S257-L271 WeakPolarHBondContact O-CB 3.34Å; V258-L271 HydrophobicContact CG2-CB 4.37Å; L269-L271 HydrophobicContact CB-CD2 4.34Å; L271-P273 WeakPolarHBondContact O-CD 3.02Å; L271-V280 HydrophobicContact CD1-CB 4.31Å; L271-V280 HydrophobicContact CD1-CG1 3.54Å |
| 272 | C | 86.4 | Confident | 87.9 | Confident | 66 Ų | 66 | 40.3 Ų | 40.3 | 45% | 0.446 | 21% | 0.21 | S | C | . | . | trans | -93.8 | 108.2 | 164.9 | -54 | 0 | 0 | 0 | 0 | 106.7 | S223 S274 | S223-C272 PolarHBondContact O-SG 2.99Å; C272-S274 PolarHBondContact O-N 3.09Å | ||
| 273 | P | 79.9 | Confident | 88.1 | Confident | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 122.5 | -175.3 | 28.6 | -30.6 | 0 | 0 | 0 | 110.1 | C217 C222 M225 L271 | C217-P273 HydrophobicContact CB-CB 4.16Å; C222-P273 HydrophobicContact CB-CG 3.57Å; C222-P273 VanDerWaalsContact SG-CG 3.51Å; M225-P273 HydrophobicContact CB-CG 4Å; M225-P273 HydrophobicContact CE-CB 3.94Å; M225-P273 HydrophobicContact CE-CG 4.31Å; M225-P273 HydrophobicContact SD-CB 4.48Å; M225-P273 HydrophobicContact SD-CG 4.38Å; L271-P273 WeakPolarHBondContact O-CD 3.02Å |
| 274 | S | 77.3 | Confident | 88.3 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 152.2 | 163.5 | 44.9 | 0 | 0 | 0 | 0 | 110.6 | D128 C217 C272 H278 | D128-S274 VanDerWaalsContact OD1-CA 3.29Å; D128-S274 WeakPolarHBondContact OD1-CA 3.46Å; D128-S274 WeakPolarHBondContact OD1-CB 3.38Å; D128-S274 WeakPolarHBondContact OD2-CA 3.23Å; D128-S274 WeakPolarHBondContact OD2-CB 3.41Å; C217-S274 VanDerWaalsContact CB-O 3.29Å; C217-S274 WeakPolarHBondContact CB-O 3.34Å; C272-S274 PolarHBondContact O-N 3.09Å; S274-H278 PolarHBondContact OG-CD2 2.98Å; S274-H278 VanDerWaalsContact OG-CG 3.29Å; S274-H278 PolarHBondContact OG-NE2 3.19Å |
| 275 | Q | 77.5 | Confident | 88.8 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -69.9 | 146.3 | 171.5 | -70.4 | -174.4 | 3.5 | 0 | 0 | 109.7 | D128 I174 M219 P220 H278 | D128-Q275 PolarHBondContact OD1-N 2.79Å; I174-Q275 HydrophobicContact CG2-CB 3.91Å; M219-Q275 PolarHBondContact O-NE2 2.9Å; P220-Q275 PolarHBondContact O-NE2 2.91Å; Q275-H278 PolarHBondContact O-NE2 3.07Å |
| 276 | G | 76.4 | Confident | 89.1 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.3 | -160.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I174 K216 C217 | I174-G276 VanDerWaalsContact CG1-CA 3.45Å; K216-G276 VanDerWaalsContact CA-O 3.3Å; K216-G276 WeakPolarHBondContact CA-O 3.26Å; C217-G276 PolarHBondContact N-O 3.13Å; C217-G276 PolarHBondContact O-N 2.93Å |
| 277 | E | 82.8 | Confident | 88.9 | Confident | 28 Ų | 28 | 32.8 Ų | 32.8 | 13% | 0.131 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.2 | -172.1 | 179.2 | 174.8 | -164.3 | 0 | 0 | 110.6 | K91 R214 V215 K216 | K91-E277 IonicContact NZ-OE1 3.32Å; K91-E277 IonicContact NZ-OE2 2.65Å; K91-E277 PolarHBondContact NZ-OE2 2.99Å; R214-E277 VanDerWaalsContact CD-CG 3.44Å; R214-E277 WeakPolarHBondContact CD-OE1 3.46Å; R214-E277 HydrophobicContact CG-CG 3.92Å; R214-E277 IonicContact CZ-OE1 4Å; R214-E277 IonicContact NE-OE1 2.75Å; R214-E277 IonicContact NH1-OE1 2.98Å; R214-E277 PolarHBondContact NH1-OE1 2.8Å; V215-E277 CarbonylContact O-C 3.37Å; V215-E277 WeakPolarHBondContact O-CA 3.44Å; K216-E277 HydrophobicContact CD-CG 4.44Å; K216-E277 VanDerWaalsContact CE-CD 3.44Å; K216-E277 WeakPolarHBondContact CE-OE1 3.45Å; K216-E277 HydrophobicContact CG-CB 4.11Å; K216-E277 HydrophobicContact CG-CG 3.97Å; K216-E277 IonicContact NZ-OE1 2.72Å |
| 278 | H | 82.7 | Confident | 88.4 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 15% | 0.148 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131 | -176.4 | -61.2 | -80.8 | 0 | 0 | 0 | 111.6 | D92 R214 V215 S274 Q275 V280 | D92-H278 IonicContact OD2-CE1 3.39Å; R214-H278 WeakPolarHBondContact CA-O 3.45Å; V215-H278 PolarHBondContact N-O 2.89Å; V215-H278 PolarHBondContact O-N 3.29Å; S274-H278 PolarHBondContact OG-CD2 2.98Å; S274-H278 VanDerWaalsContact OG-CG 3.29Å; S274-H278 PolarHBondContact OG-NE2 3.19Å; Q275-H278 PolarHBondContact O-NE2 3.07Å; H278-V280 PolarHBondContact O-N 3.32Å |
| 279 | A | 90.7 | Very high | 87.9 | Confident | 33 Ų | 33 | 35.8 Ų | 35.8 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 108.5 | 170 | 0 | 0 | 0 | 0 | 0 | 108.6 | E212 H255 | E212-A279 VanDerWaalsContact CD-CB 3.46Å; E212-A279 HydrophobicContact CG-CB 3.95Å; E212-A279 WeakPolarHBondContact OE1-CA 3.45Å; E212-A279 WeakPolarHBondContact OE1-CB 3.36Å; H255-A279 VanDerWaalsContact CB-O 3.31Å; H255-A279 WeakPolarHBondContact CB-O 3.49Å |
| 280 | V | 94.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -28.8 | -175.9 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | V213 V215 I227 H255 V258 L269 L271 H278 | V213-V280 HydrophobicContact CB-CG2 3.96Å; V213-V280 HydrophobicContact CG1-CG2 3.78Å; V213-V280 VanDerWaalsContact O-CG2 3.24Å; V213-V280 WeakPolarHBondContact O-CG2 3.33Å; V213-V280 PolarHBondContact O-N 3.35Å; V215-V280 HydrophobicContact CB-CG1 4.03Å; V215-V280 HydrophobicContact CG2-CB 4.45Å; V215-V280 HydrophobicContact CG2-CG1 3.61Å; V215-V280 HydrophobicContact CG2-CG2 3.92Å; I227-V280 HydrophobicContact CD1-CG2 4.3Å; H255-V280 PolarHBondContact N-O 2.57Å; V258-V280 HydrophobicContact CG2-CB 4.2Å; V258-V280 WeakPolarHBondContact CG2-O 3.26Å; L269-V280 HydrophobicContact CD1-CG2 4.49Å; L271-V280 HydrophobicContact CD1-CB 4.31Å; L271-V280 HydrophobicContact CD1-CG1 3.54Å; H278-V280 PolarHBondContact O-N 3.32Å |
| 281 | M | 95.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 135.8 | 179.5 | 175.6 | -175.2 | 174.4 | 0 | 0 | 109 | E212 V213 L229 F233 C252 S253 F254 L269 Y283 | E212-M281 CarbonylContact C-O 3.57Å; E212-M281 WeakPolarHBondContact CA-O 3.49Å; V213-M281 HydrophobicContact CB-CB 4.15Å; V213-M281 HydrophobicContact CG2-CB 4.27Å; V213-M281 HydrophobicContact CG2-SD 4.32Å; V213-M281 PolarHBondContact N-O 3.3Å; V213-M281 PolarHBondContact O-N 3.39Å; L229-M281 HydrophobicContact CD1-CE 4.23Å; L229-M281 HydrophobicContact CD1-SD 3.77Å; F233-M281 HydrophobicContact CE1-CE 3.89Å; F233-M281 HydrophobicContact CE2-CE 4.1Å; F233-M281 HydrophobicContact CZ-CE 3.37Å; C252-M281 HydrophobicContact CB-CE 3.98Å; S253-M281 CarbonylContact O-C 3.59Å; S253-M281 WeakPolarHBondContact O-CA 3.34Å; F254-M281 HydrophobicContact CD1-CB 4.01Å; F254-M281 HydrophobicContact CD1-CG 3.92Å; F254-M281 HydrophobicContact CE1-CB 4.18Å; F254-M281 HydrophobicContact CE1-CE 4.25Å; F254-M281 HydrophobicContact CE1-CG 3.65Å; F254-M281 HydrophobicContact CE1-SD 3.78Å; L269-M281 HydrophobicContact CD1-CB 4.07Å; L269-M281 HydrophobicContact CD1-SD 3.94Å; L269-M281 HydrophobicContact CD2-SD 4.47Å; M281-Y283 HydrophobicContact CE-CD1 4.13Å; M281-Y283 HydrophobicContact CE-CG 4.5Å; M281-Y283 HydrophobicContact CG-CD1 4.49Å |
| 282 | Q | 96.6 | Very high | 86.9 | Confident | 96 Ų | 96 | 42 Ų | 42 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.6 | 168.1 | -66.6 | 169.9 | -25.5 | 0 | 0 | 108.6 | G211 E212 C252 S253 | G211-Q282 CarbonylContact O-C 3.59Å; G211-Q282 WeakPolarHBondContact O-CA 3.4Å; E212-Q282 HydrophobicContact CB-CG 4.31Å; E212-Q282 HydrophobicContact CG-CG 3.88Å; C252-Q282 CarbonylContact C-O 3.58Å; C252-Q282 WeakPolarHBondContact CA-O 3.45Å; S253-Q282 PolarHBondContact N-O 3.44Å; S253-Q282 PolarHBondContact O-N 2.8Å; S253-Q282 WeakPolarHBondContact OG-CB 3.37Å |
| 283 | Y | 95.6 | Very high | 87.2 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 151.7 | -179.3 | 55.8 | -86.1 | 0 | 0 | 0 | 111 | V190 E192 G211 V213 V249 E251 M281 T408 L410 | V190-Y283 WeakPolarHBondContact CG1-OH 3.31Å; E192-Y283 HydrophobicContact CG-CE2 4.35Å; E192-Y283 VanDerWaalsContact CG-OH 3.32Å; E192-Y283 WeakPolarHBondContact CG-OH 3.47Å; E192-Y283 PolarHBondContact OE1-OH 3.5Å; G211-Y283 VanDerWaalsContact C-CE1 3.47Å; G211-Y283 VanDerWaalsContact CA-CZ 3.47Å; G211-Y283 PolarHBondContact N-O 2.81Å; G211-Y283 WeakPolarHBondContact O-CD1 3.44Å; G211-Y283 PolarHBondContact O-N 2.83Å; V213-Y283 HydrophobicContact CG2-CE1 4.18Å; V249-Y283 HydrophobicContact CG1-CD2 3.69Å; V249-Y283 HydrophobicContact CG1-CG 4.18Å; E251-Y283 VanDerWaalsContact O-CA 3.28Å; E251-Y283 WeakPolarHBondContact O-CA 3.34Å; M281-Y283 HydrophobicContact CE-CD1 4.13Å; M281-Y283 HydrophobicContact CE-CG 4.5Å; M281-Y283 HydrophobicContact CG-CD1 4.49Å; Y283-T408 HydrophobicContact CD2-CG2 4.33Å; Y283-T408 HydrophobicContact CE2-CG2 3.82Å; Y283-L410 HydrophobicContact CD1-CD2 4.31Å; Y283-L410 HydrophobicContact CE1-CD2 3.47Å; Y283-L410 VanDerWaalsContact CE1-CD2 3.47Å; Y283-L410 HydrophobicContact CE2-CD2 4.36Å; Y283-L410 VanDerWaalsContact CZ-CD2 3.49Å; Y283-L410 WeakPolarHBondContact OH-CD2 3.49Å |
| 284 | R | 95 | Very high | 87.9 | Confident | 89 Ų | 89 | 38.7 Ų | 38.7 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.9 | 176.1 | -163.8 | -174.8 | -56.8 | 116.6 | 17.1 | 110.4 | I209 E210 V249 D250 E251 | I209-R284 WeakPolarHBondContact O-CA 3.24Å; E210-R284 HydrophobicContact CG-CG 4.33Å; E210-R284 IonicContact OE1-NE 2.67Å; V249-R284 WeakPolarHBondContact CB-O 3.14Å; D250-R284 PolarHBondContact N-O 2.82Å; E251-R284 HydrophobicContact CG-CB 3.77Å; E251-R284 PolarHBondContact N-O 2.94Å; E251-R284 PolarHBondContact O-N 3.03Å; E251-R284 IonicContact OE1-CZ 2.84Å; E251-R284 IonicContact OE1-NE 3.31Å; E251-R284 IonicContact OE1-NH1 2.64Å; E251-R284 PolarHBondContact OE1-NH1 3.24Å; E251-R284 IonicContact OE1-NH2 3.21Å; E251-R284 PolarHBondContact OE1-NH2 3.26Å; E251-R284 IonicContact OE2-CZ 3.73Å; E251-R284 IonicContact OE2-NH1 3.04Å; E251-R284 PolarHBondContact OE2-NH1 3.5Å |
| 285 | L | 93.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.7 | 167.9 | 172.8 | 67.8 | 0 | 0 | 0 | 108.3 | D208 I209 L289 T408 | D208-L285 CarbonylContact C-O 3.57Å; D208-L285 VanDerWaalsContact CA-O 3.29Å; D208-L285 WeakPolarHBondContact CA-O 2.92Å; I209-L285 HydrophobicContact CB-CB 4.41Å; I209-L285 PolarHBondContact N-O 2.87Å; I209-L285 PolarHBondContact O-N 2.82Å; L285-L289 HydrophobicContact CD2-CD2 4.23Å; L285-T408 HydrophobicContact CB-CG2 4.21Å; L285-T408 HydrophobicContact CD2-CG2 4.01Å |
| 286 | S | 92.5 | Very high | 89.7 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 26% | 0.259 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.9 | 178.3 | -77.3 | 0 | 0 | 0 | 0 | 112 | D208 D250 E288 | D208-S286 VanDerWaalsContact OD1-CA 3.24Å; D208-S286 WeakPolarHBondContact OD1-CA 3.28Å; D208-S286 VanDerWaalsContact OD1-CB 3.24Å; D208-S286 WeakPolarHBondContact OD1-CB 3.49Å; D208-S286 PolarHBondContact OD1-OG 3.49Å; D250-S286 PolarHBondContact OD2-N 3.4Å; S286-E288 PolarHBondContact O-N 2.89Å |
| 287 | D | 83.1 | Confident | 90.7 | Very high | 97 Ų | 97 | 42 Ų | 42 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 61.6 | -37.4 | 176.3 | -61 | -40.8 | 0 | 0 | 0 | 117.3 | A207 L289 | A207-D287 VanDerWaalsContact O-CA 3.29Å; A207-D287 WeakPolarHBondContact O-CA 3.36Å; A207-D287 PolarHBondContact O-N 3.29Å; D287-L289 PolarHBondContact O-N 3.07Å; D287-L289 VanDerWaalsContact O-N 3.17Å |
| 288 | E | 81.9 | Confident | 91.3 | Very high | 105 Ų | 105 | 45.3 Ų | 45.3 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | trans | -91.8 | 64.6 | -172.6 | -64.4 | -173.4 | 169.8 | 0 | 0 | 112.6 | R248 S286 | R248-E288 IonicContact CZ-OE2 2.7Å; R248-E288 IonicContact NH1-OE2 3.52Å; R248-E288 PolarHBondContact NH1-OE2 2.84Å; R248-E288 IonicContact NH2-OE2 3.67Å; R248-E288 PolarHBondContact NH2-OE2 3.24Å; S286-E288 PolarHBondContact O-N 2.89Å | ||
| 289 | L | 85.2 | Confident | 91.9 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | trans | -59.3 | 133.2 | 173.8 | -72.1 | -179.5 | 0 | 0 | 0 | 111.6 | M194 A207 I209 L285 D287 S291 P293 | M194-L289 HydrophobicContact CE-CD1 4.39Å; M194-L289 HydrophobicContact CE-CD2 4.32Å; A207-L289 HydrophobicContact CB-CD1 3.5Å; A207-L289 HydrophobicContact CB-CD2 4.42Å; A207-L289 HydrophobicContact CB-CG 3.6Å; I209-L289 HydrophobicContact CD1-CD2 3.32Å; I209-L289 HydrophobicContact CG1-CD2 3.76Å; L285-L289 HydrophobicContact CD2-CD2 4.23Å; D287-L289 PolarHBondContact O-N 3.07Å; D287-L289 VanDerWaalsContact O-N 3.17Å; L289-S291 VanDerWaalsContact CB-O 3.28Å; L289-S291 WeakPolarHBondContact CB-O 3.28Å; L289-S291 PolarHBondContact O-N 3.18Å; L289-P293 HydrophobicContact CD1-CG 4.26Å | ||
| 290 | P | 84.8 | Confident | 92.1 | Very high | 81 Ų | 81 | 46.3 Ų | 46.3 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -62.1 | -24.5 | 174.4 | -22.2 | 30.7 | 0 | 0 | 0 | 113.7 | G407 | P290-G407 WeakPolarHBondContact CD-O 3.43Š|
| 291 | S | 84.9 | Confident | 92.2 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -139.2 | 161 | -178.1 | 64.6 | 0 | 0 | 0 | 0 | 111.3 | L289 | L289-S291 VanDerWaalsContact CB-O 3.28Å; L289-S291 WeakPolarHBondContact CB-O 3.28Å; L289-S291 PolarHBondContact O-N 3.18Å |
| 292 | A | 88 | Confident | 92.1 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | trans | -60.9 | 150.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 293 | P | 92.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | trans | -54.7 | 149 | 176.1 | -24.2 | 32.1 | 0 | 0 | 0 | 112.6 | V196 L204 L289 F295 Y438 | V196-P293 HydrophobicContact CG1-CB 4.49Å; L204-P293 HydrophobicContact CD1-CG 3.8Å; L204-P293 HydrophobicContact CD2-CG 3.95Å; L204-P293 HydrophobicContact CG-CG 4.43Å; L289-P293 HydrophobicContact CD1-CG 4.26Å; P293-F295 VanDerWaalsContact C-N 3.26Å; P293-F295 PolarHBondContact O-N 3.27Å; P293-Y438 HydrophobicContact CB-CE2 4.41Å; P293-Y438 WeakPolarHBondContact CB-OH 3.45Å | ||
| 294 | P | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -67.7 | -21.3 | -170.7 | 25.9 | -36.2 | 0 | 0 | 0 | 114.4 | M194 C317 D318 L319 F400 L402 Y438 | M194-P294 HydrophobicContact SD-CG 4.07Å; P294-C317 CarbonylContact O-C 3.55Å; P294-D318 PolarHBondContact O-N 3.1Å; P294-L319 HydrophobicContact CB-CD1 4.45Å; P294-L319 HydrophobicContact CB-CD2 3.73Å; P294-L319 HydrophobicContact CB-CG 3.93Å; P294-F400 HydrophobicContact CG-CE2 4.41Å; P294-F400 HydrophobicContact CG-CZ 4.05Å; P294-L402 HydrophobicContact CB-CD1 3.96Å; P294-L402 HydrophobicContact CG-CD1 4.06Å; P294-Y438 HydrophobicContact CG-CE2 4.16Å |
| 295 | F | 97.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.5 | -177.1 | -56.2 | -71.2 | 0 | 0 | 0 | 111.8 | P293 L315 R316 C317 A325 L328 F368 L398 F400 L402 Y438 | P293-F295 VanDerWaalsContact C-N 3.26Å; P293-F295 PolarHBondContact O-N 3.27Å; F295-L315 HydrophobicContact CB-CD1 4.33Å; F295-R316 VanDerWaalsContact CA-O 3.32Å; F295-R316 WeakPolarHBondContact CA-O 3.46Å; F295-C317 HydrophobicContact CD1-CB 4.26Å; F295-C317 HydrophobicContact CE1-CB 4.13Å; F295-A325 HydrophobicContact CE1-CB 4.15Å; F295-A325 HydrophobicContact CZ-CB 3.6Å; F295-L328 HydrophobicContact CD1-CD1 4Å; F295-L328 HydrophobicContact CD2-CD1 4.3Å; F295-L328 HydrophobicContact CE1-CD1 3.47Å; F295-L328 VanDerWaalsContact CE1-CD1 3.47Å; F295-L328 HydrophobicContact CE2-CD1 3.82Å; F295-L328 HydrophobicContact CG-CD1 4.39Å; F295-L328 HydrophobicContact CZ-CD1 3.37Å; F295-F368 HydrophobicContact CD1-CD1 4.23Å; F295-F368 HydrophobicContact CD1-CE1 4.14Å; F295-F368 AromaticContact CE1-CD1 3.85Å; F295-F368 HydrophobicContact CE1-CD1 3.85Å; F295-F368 HydrophobicContact CE1-CE1 4.21Å; F295-L398 HydrophobicContact CB-CD1 3.83Å; F295-L398 HydrophobicContact CD2-CD1 4.28Å; F295-L398 HydrophobicContact CG-CD1 4.19Å; F295-F400 AromaticContact CD2-CD1 3.83Å; F295-F400 HydrophobicContact CD2-CD1 3.83Å; F295-F400 AromaticContact CD2-CE1 3.66Å; F295-F400 HydrophobicContact CD2-CE1 3.66Å; F295-F400 HydrophobicContact CD2-CG 4.42Å; F295-F400 HydrophobicContact CD2-CZ 4.11Å; F295-F400 HydrophobicContact CE2-CB 4.27Å; F295-F400 AromaticContact CE2-CD1 3.46Å; F295-F400 HydrophobicContact CE2-CD1 3.46Å; F295-F400 VanDerWaalsContact CE2-CD1 3.46Å; F295-F400 AromaticContact CE2-CD2 3.86Å; F295-F400 HydrophobicContact CE2-CD2 3.86Å; F295-F400 AromaticContact CE2-CE1 3.59Å; F295-F400 HydrophobicContact CE2-CE1 3.59Å; F295-F400 AromaticContact CE2-CE2 3.99Å; F295-F400 HydrophobicContact CE2-CE2 3.99Å; F295-F400 AromaticContact CE2-CG 3.59Å; F295-F400 HydrophobicContact CE2-CG 3.59Å; F295-F400 AromaticContact CE2-CZ 3.87Å; F295-F400 HydrophobicContact CE2-CZ 3.87Å; F295-F400 HydrophobicContact CZ-CD1 4.46Å; F295-F400 HydrophobicContact CZ-CG 4.31Å; F295-L402 HydrophobicContact CE2-CD2 4.23Å; F295-L402 HydrophobicContact CZ-CD2 4.01Å; F295-Y438 HydrophobicContact CB-CE1 4.36Å; F295-Y438 PolarHBondContact N-OH 2.61Å; F295-Y438 PolarHBondContact O-OH 3.33Å |
| 296 | R | 95.6 | Very high | 90.6 | Very high | 98 Ų | 98 | 63 Ų | 63 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.9 | 167 | -60.6 | -170 | -156.2 | -173.6 | 1.3 | 109.5 | F298 R316 D318 | R296-F298 HydrophobicContact CB-CE2 4.12Å; R296-F298 HydrophobicContact CB-CZ 4.32Å; R296-R316 VanDerWaalsContact CZ-NH2 3.31Å; R296-R316 PolarHBondContact N-O 3.45Å; R296-R316 PolarHBondContact O-N 3.29Å; R296-D318 WeakPolarHBondContact CD-OD2 3.41Å; R296-D318 IonicContact CZ-OD2 2.84Å; R296-D318 VanDerWaalsContact CZ-OD2 3.32Å; R296-D318 IonicContact NE-OD2 3.78Å; R296-D318 PolarHBondContact NE-OD2 2.99Å; R296-D318 IonicContact NH2-OD2 2.77Å; R296-D318 PolarHBondContact NH2-OD2 2.8Å |
| 297 | L | 96.5 | Very high | 90.2 | Very high | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.8 | 177 | -179.2 | 69.8 | 0 | 0 | 0 | 109.4 | P299 L313 L315 V396 I440 I442 | L297-P299 WeakPolarHBondContact O-CD 3.16Å; L297-L313 HydrophobicContact CD1-CB 4.04Å; L297-L313 HydrophobicContact CD1-CD2 4.43Å; L297-L313 HydrophobicContact CD2-CD2 4.49Å; L297-L315 HydrophobicContact CB-CD1 4.04Å; L297-L315 HydrophobicContact CD1-CB 4.24Å; L297-L315 HydrophobicContact CD1-CD1 4.03Å; L297-V396 HydrophobicContact CD2-CB 3.84Å; L297-V396 HydrophobicContact CD2-CG1 4.02Å; L297-V396 HydrophobicContact CD2-CG2 3.66Å; L297-I440 HydrophobicContact CB-CD1 3.46Å; L297-I440 VanDerWaalsContact CB-CD1 3.46Å; L297-I440 HydrophobicContact CB-CG2 4.12Å; L297-I440 HydrophobicContact CD2-CB 4.48Å; L297-I440 HydrophobicContact CD2-CD1 4.45Å; L297-I440 HydrophobicContact CD2-CG2 4.41Å; L297-I442 HydrophobicContact CD2-CG2 3.87Å |
| 298 | F | 96.3 | Very high | 90.6 | Very high | 98 Ų | 98 | 61 Ų | 61 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 93.2 | 172.3 | -56 | -88.1 | 0 | 0 | 0 | 107.3 | R296 K314 R316 | R296-F298 HydrophobicContact CB-CE2 4.12Å; R296-F298 HydrophobicContact CB-CZ 4.32Å; F298-K314 HydrophobicContact CB-CB 4.22Å; F298-K314 PolarHBondContact N-O 2.8Å; F298-K314 PolarHBondContact O-N 3.4Å; F298-R316 HydrophobicContact CE2-CB 4.08Å |
| 299 | P | 95.6 | Very high | 91.2 | Very high | 43 Ų | 43 | 56 Ų | 56 | 28% | 0.279 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 148.5 | -179.6 | 36.9 | -37.8 | 0 | 0 | 0 | 111.7 | L297 Y312 L313 I442 | L297-P299 WeakPolarHBondContact O-CD 3.16Å; P299-Y312 CarbonylContact C-O 3.54Å; P299-Y312 WeakPolarHBondContact CA-O 3.42Å; P299-L313 HydrophobicContact CB-CD2 3.81Å; P299-I442 HydrophobicContact CB-CB 3.92Å; P299-I442 HydrophobicContact CB-CG2 3.76Å; P299-I442 HydrophobicContact CG-CB 3.78Å; P299-I442 HydrophobicContact CG-CG2 3.61Å |
| 300 | S | 95.3 | Very high | 91.8 | Very high | 43 Ų | 43 | 56.1 Ų | 56.1 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.1 | 155.7 | -165.9 | 0 | 0 | 0 | 0 | 108.4 | E302 M311 Y312 | S300-E302 PolarHBondContact OG-OE1 2.75Å; S300-M311 CarbonylContact O-C 3.56Å; S300-M311 WeakPolarHBondContact O-CA 3.23Å; S300-Y312 PolarHBondContact N-O 3.07Å; S300-Y312 PolarHBondContact O-N 3.18Å |
| 301 | V | 95.2 | Very high | 92.3 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 113.9 | -179.4 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | L309 L310 M311 M390 V393 I442 | V301-L309 HydrophobicContact CG1-CD1 3.65Å; V301-L310 WeakPolarHBondContact CA-O 3.42Å; V301-M311 HydrophobicContact CG1-CG 4.35Å; V301-M390 HydrophobicContact CG1-CE 3.72Å; V301-V393 HydrophobicContact CG1-CB 4.5Å; V301-V393 HydrophobicContact CG1-CG1 4.17Å; V301-V393 HydrophobicContact CG1-CG2 4.37Å; V301-V393 HydrophobicContact CG2-CG1 4.18Å; V301-I442 HydrophobicContact CG2-CD1 4.28Å |
| 302 | E | 94.1 | Very high | 92.9 | Very high | 113 Ų | 113 | 54.5 Ų | 54.5 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 164 | -169.8 | -67.9 | 174.5 | -150.4 | 0 | 0 | 111 | S300 L310 | S300-E302 PolarHBondContact OG-OE1 2.75Å; E302-L310 HydrophobicContact CB-CB 4.46Å; E302-L310 PolarHBondContact N-O 3.33Å; E302-L310 PolarHBondContact O-N 3.03Å |
| 303 | R | 92.3 | Very high | 93.3 | Very high | 154 Ų | 154 | 52 Ų | 52 | 58% | 0.581 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.3 | 172.3 | 178.3 | 173.8 | -179.6 | -168.1 | -0.6 | 109.2 | R308 L385 | R303-R308 WeakPolarHBondContact CA-O 3.38Å; R303-L385 HydrophobicContact CB-CD2 4.39Å; R303-L385 HydrophobicContact CG-CD2 3.97Å; R303-L385 PolarHBondContact NH1-O 2.92Å |
| 304 | D | 89.3 | Confident | 93.6 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 23% | 0.225 | 28% | 0.278 | C | S | . | . | trans | -70.9 | 160.2 | 175 | -166 | 6.7 | 0 | 0 | 0 | 111.3 | A306 G307 R308 L310 | D304-A306 PolarHBondContact O-N 3.26Å; D304-G307 WeakPolarHBondContact O-CA 3.39Å; D304-G307 PolarHBondContact O-N 3.39Å; D304-R308 HydrophobicContact CB-CB 4.2Å; D304-R308 PolarHBondContact N-O 2.87Å; D304-R308 IonicContact OD2-CZ 3.33Å; D304-R308 IonicContact OD2-NE 2.76Å; D304-R308 PolarHBondContact OD2-NE 2.66Å; D304-R308 IonicContact OD2-NH2 2.61Å; D304-R308 PolarHBondContact OD2-NH2 2.87Å; D304-L310 HydrophobicContact CB-CD1 3.76Å; D304-L310 HydrophobicContact CB-CD2 4.38Å; D304-L310 HydrophobicContact CB-CG 3.95Å | ||
| 305 | S | 83.9 | Confident | 93.7 | Very high | 126 Ų | 126 | 54.2 Ų | 54.2 | 88% | 0.881 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.7 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | G307 | S305-G307 PolarHBondContact O-N 2.95Š|
| 306 | A | 82.7 | Confident | 93.7 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 60% | 0.603 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -1.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D304 R308 | D304-A306 PolarHBondContact O-N 3.26Å; A306-R308 HydrophobicContact CB-CG 4.4Å |
| 307 | G | 84.1 | Confident | 93.7 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 81.9 | 11.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D304 S305 L385 | D304-G307 WeakPolarHBondContact O-CA 3.39Å; D304-G307 PolarHBondContact O-N 3.39Å; S305-G307 PolarHBondContact O-N 2.95Å; G307-L385 WeakPolarHBondContact O-CD2 3.44Å |
| 308 | R | 91.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 54.9 Ų | 54.9 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | trans | -80.7 | 152.7 | 176.4 | -60.1 | -177.1 | -63.8 | -175 | -2.4 | 111.5 | R303 D304 A306 L380 D381 | R303-R308 WeakPolarHBondContact CA-O 3.38Å; D304-R308 HydrophobicContact CB-CB 4.2Å; D304-R308 PolarHBondContact N-O 2.87Å; D304-R308 IonicContact OD2-CZ 3.33Å; D304-R308 IonicContact OD2-NE 2.76Å; D304-R308 PolarHBondContact OD2-NE 2.66Å; D304-R308 IonicContact OD2-NH2 2.61Å; D304-R308 PolarHBondContact OD2-NH2 2.87Å; A306-R308 HydrophobicContact CB-CG 4.4Å; R308-L380 WeakPolarHBondContact CB-O 3.39Å; R308-D381 WeakPolarHBondContact CD-OD1 3.21Å; R308-D381 VanDerWaalsContact CG-OD1 3.26Å; R308-D381 WeakPolarHBondContact CG-OD1 3.47Å | ||
| 309 | L | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.4 | 170.8 | 171.3 | 65.2 | 0 | 0 | 0 | 109 | V301 M311 P335 K379 L380 V382 L385 M390 V393 | V301-L309 HydrophobicContact CG1-CD1 3.65Å; L309-M311 HydrophobicContact CD1-CG 4.31Å; L309-M311 HydrophobicContact CD2-CG 4.37Å; L309-M311 HydrophobicContact CD2-SD 4.28Å; L309-M311 HydrophobicContact CG-CG 4.1Å; L309-P335 HydrophobicContact CD2-CG 4.01Å; L309-K379 WeakPolarHBondContact O-CA 3.36Å; L309-L380 HydrophobicContact CB-CB 4.21Å; L309-L380 HydrophobicContact CD2-CB 4.49Å; L309-L380 PolarHBondContact N-O 3.34Å; L309-L380 PolarHBondContact O-N 3.03Å; L309-V382 HydrophobicContact CB-CG2 4.21Å; L309-L385 HydrophobicContact CB-CD1 4.44Å; L309-L385 HydrophobicContact CB-CD2 3.96Å; L309-M390 HydrophobicContact CD1-CE 3.87Å; L309-M390 HydrophobicContact CD1-SD 3.58Å; L309-M390 VanDerWaalsContact CD1-SD 3.58Å; L309-V393 HydrophobicContact CD1-CG2 4.27Å; L309-V393 HydrophobicContact CD2-CG2 3.83Å |
| 310 | L | 96.5 | Very high | 93.5 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.8 | 174 | -61 | 179.5 | 0 | 0 | 0 | 109.1 | V301 E302 D304 F378 K379 | V301-L310 WeakPolarHBondContact CA-O 3.42Å; E302-L310 HydrophobicContact CB-CB 4.46Å; E302-L310 PolarHBondContact N-O 3.33Å; E302-L310 PolarHBondContact O-N 3.03Å; D304-L310 HydrophobicContact CB-CD1 3.76Å; D304-L310 HydrophobicContact CB-CD2 4.38Å; D304-L310 HydrophobicContact CB-CG 3.95Å; L310-F378 WeakPolarHBondContact CA-O 3.46Å; L310-K379 HydrophobicContact CD2-CB 3.97Å; L310-K379 HydrophobicContact CD2-CD 4.17Å; L310-K379 HydrophobicContact CD2-CG 3.6Å |
| 311 | M | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 107.4 | 172.1 | -54.4 | -175.5 | -64.4 | 0 | 0 | 108.8 | S300 V301 L309 I332 V334 V361 L377 F378 L380 V393 | S300-M311 CarbonylContact O-C 3.56Å; S300-M311 WeakPolarHBondContact O-CA 3.23Å; V301-M311 HydrophobicContact CG1-CG 4.35Å; L309-M311 HydrophobicContact CD1-CG 4.31Å; L309-M311 HydrophobicContact CD2-CG 4.37Å; L309-M311 HydrophobicContact CD2-SD 4.28Å; L309-M311 HydrophobicContact CG-CG 4.1Å; M311-I332 HydrophobicContact CE-CG2 4.19Å; M311-I332 HydrophobicContact SD-CG2 3.92Å; M311-V334 HydrophobicContact CE-CG1 3.71Å; M311-V334 HydrophobicContact SD-CG1 4.17Å; M311-V361 HydrophobicContact CE-CG2 4.11Å; M311-L377 WeakPolarHBondContact O-CA 3.41Å; M311-F378 HydrophobicContact CB-CB 4.31Å; M311-F378 HydrophobicContact CE-CB 3.93Å; M311-F378 HydrophobicContact CE-CD2 4.16Å; M311-F378 HydrophobicContact CE-CG 4.45Å; M311-F378 PolarHBondContact N-O 2.85Å; M311-F378 PolarHBondContact O-N 3.23Å; M311-L380 HydrophobicContact CE-CD1 3.36Å; M311-V393 HydrophobicContact SD-CG1 3.69Å |
| 312 | Y | 97.2 | Very high | 93.3 | Very high | 106 Ų | 106 | 62.7 Ų | 62.7 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114 | 170.7 | -178.6 | -99.8 | 0 | 0 | 0 | 109.2 | P299 S300 K314 L377 | P299-Y312 CarbonylContact C-O 3.54Å; P299-Y312 WeakPolarHBondContact CA-O 3.42Å; S300-Y312 PolarHBondContact N-O 3.07Å; S300-Y312 PolarHBondContact O-N 3.18Å; Y312-K314 HydrophobicContact CE1-CB 4.09Å; Y312-L377 HydrophobicContact CD2-CB 4.32Å; Y312-L377 HydrophobicContact CD2-CD1 4.5Å |
| 313 | L | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.2 | -176.8 | -61.2 | -170.9 | 0 | 0 | 0 | 109.5 | L297 P299 I332 W363 S375 A376 F378 | L297-L313 HydrophobicContact CD1-CB 4.04Å; L297-L313 HydrophobicContact CD1-CD2 4.43Å; L297-L313 HydrophobicContact CD2-CD2 4.49Å; P299-L313 HydrophobicContact CB-CD2 3.81Å; L313-I332 HydrophobicContact CD1-CD1 3.93Å; L313-I332 HydrophobicContact CD1-CG1 3.82Å; L313-W363 HydrophobicContact CB-CZ3 4.34Å; L313-S375 CarbonylContact O-C 3.57Å; L313-S375 VanDerWaalsContact O-CA 3.28Å; L313-S375 WeakPolarHBondContact O-CA 3.15Å; L313-A376 PolarHBondContact N-O 3.18Å; L313-A376 PolarHBondContact O-N 3.5Å; L313-F378 HydrophobicContact CD1-CD2 4.13Å; L313-F378 HydrophobicContact CD1-CE2 3.87Å |
| 314 | K | 97.5 | Very high | 93.4 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 26% | 0.261 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 109 | 172 | 177.8 | 179.6 | -178 | -176.4 | 0 | 109.7 | F298 Y312 L374 | F298-K314 HydrophobicContact CB-CB 4.22Å; F298-K314 PolarHBondContact N-O 2.8Å; F298-K314 PolarHBondContact O-N 3.4Å; Y312-K314 HydrophobicContact CE1-CB 4.09Å; K314-L374 CarbonylContact C-O 3.58Å; K314-L374 WeakPolarHBondContact CA-O 3.28Å |
| 315 | L | 97.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.5 | 179.7 | -169.1 | 69.3 | 0 | 0 | 0 | 109.5 | F295 L297 L328 W363 I365 F368 Q373 L374 L398 | F295-L315 HydrophobicContact CB-CD1 4.33Å; L297-L315 HydrophobicContact CB-CD1 4.04Å; L297-L315 HydrophobicContact CD1-CB 4.24Å; L297-L315 HydrophobicContact CD1-CD1 4.03Å; L315-L328 HydrophobicContact CD2-CD2 3.92Å; L315-W363 HydrophobicContact CB-CH2 4.04Å; L315-W363 HydrophobicContact CB-CZ3 4.03Å; L315-W363 HydrophobicContact CD2-CZ3 4.4Å; L315-I365 HydrophobicContact CD2-CD1 4.08Å; L315-F368 HydrophobicContact CB-CE1 4.34Å; L315-F368 HydrophobicContact CD2-CD1 4.23Å; L315-F368 HydrophobicContact CD2-CE1 3.67Å; L315-F368 HydrophobicContact CG-CE1 3.8Å; L315-F368 HydrophobicContact CG-CZ 4.49Å; L315-F368 WeakPolarHBondContact O-CZ 3.49Å; L315-Q373 CarbonylContact O-C 3.6Å; L315-Q373 VanDerWaalsContact O-CA 3.32Å; L315-Q373 WeakPolarHBondContact O-CA 3.46Å; L315-L374 PolarHBondContact N-O 3.3Å; L315-L374 PolarHBondContact O-N 3.11Å; L315-L398 HydrophobicContact CD1-CD1 4.08Å |
| 316 | R | 97 | Very high | 94.3 | Very high | 77 Ų | 77 | 47.6 Ų | 47.6 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.1 | 178 | -168.2 | 177.4 | 75.7 | 176.2 | 10.9 | 109.9 | F295 R296 F298 D318 Q373 | F295-R316 VanDerWaalsContact CA-O 3.32Å; F295-R316 WeakPolarHBondContact CA-O 3.46Å; R296-R316 VanDerWaalsContact CZ-NH2 3.31Å; R296-R316 PolarHBondContact N-O 3.45Å; R296-R316 PolarHBondContact O-N 3.29Å; F298-R316 HydrophobicContact CE2-CB 4.08Å; R316-D318 IonicContact CZ-OD1 3.91Å; R316-D318 VanDerWaalsContact CZ-OD1 3.22Å; R316-D318 IonicContact CZ-OD2 2.66Å; R316-D318 IonicContact NE-OD1 4Å; R316-D318 PolarHBondContact NE-OD1 3.49Å; R316-D318 IonicContact NE-OD2 2.69Å; R316-D318 IonicContact NH2-OD1 2.91Å; R316-D318 PolarHBondContact NH2-OD1 3.03Å; R316-D318 VanDerWaalsContact NH2-OD1 3.1Å; R316-D318 IonicContact NH2-OD2 2.75Å; R316-D318 PolarHBondContact NH2-OD2 3.36Å; R316-Q373 HydrophobicContact CG-CB 4.44Å |
| 317 | C | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 108.1 | 174.7 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | P294 F295 L319 F368 C369 G371 T372 | P294-C317 CarbonylContact O-C 3.55Å; F295-C317 HydrophobicContact CD1-CB 4.26Å; F295-C317 HydrophobicContact CE1-CB 4.13Å; C317-L319 VanDerWaalsContact C-N 3.26Å; C317-L319 PolarHBondContact O-N 2.87Å; C317-F368 HydrophobicContact CB-CD1 4.02Å; C317-F368 HydrophobicContact CB-CD2 3.85Å; C317-F368 HydrophobicContact CB-CE1 3.76Å; C317-F368 HydrophobicContact CB-CE2 3.59Å; C317-F368 HydrophobicContact CB-CG 4.06Å; C317-F368 HydrophobicContact CB-CZ 3.54Å; C317-C369 WeakPolarHBondContact CB-O 3.4Å; C317-G371 WeakPolarHBondContact O-CA 3.44Å; C317-G371 PolarHBondContact O-N 2.92Å; C317-T372 PolarHBondContact N-O 3.27Å |
| 318 | D | 95.1 | Very high | 95.4 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | trans | -88.1 | 7.1 | -177.5 | -75.9 | -2.8 | 0 | 0 | 0 | 112.8 | P294 R296 R316 | P294-D318 PolarHBondContact O-N 3.1Å; R296-D318 WeakPolarHBondContact CD-OD2 3.41Å; R296-D318 IonicContact CZ-OD2 2.84Å; R296-D318 VanDerWaalsContact CZ-OD2 3.32Å; R296-D318 IonicContact NE-OD2 3.78Å; R296-D318 PolarHBondContact NE-OD2 2.99Å; R296-D318 IonicContact NH2-OD2 2.77Å; R296-D318 PolarHBondContact NH2-OD2 2.8Å; R316-D318 IonicContact CZ-OD1 3.91Å; R316-D318 VanDerWaalsContact CZ-OD1 3.22Å; R316-D318 IonicContact CZ-OD2 2.66Å; R316-D318 IonicContact NE-OD1 4Å; R316-D318 PolarHBondContact NE-OD1 3.49Å; R316-D318 IonicContact NE-OD2 2.69Å; R316-D318 IonicContact NH2-OD1 2.91Å; R316-D318 PolarHBondContact NH2-OD1 3.03Å; R316-D318 VanDerWaalsContact NH2-OD1 3.1Å; R316-D318 IonicContact NH2-OD2 2.75Å; R316-D318 PolarHBondContact NH2-OD2 3.36Å | ||
| 319 | L | 94.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -64.1 | 155.7 | 171.8 | -66.9 | 173.9 | 0 | 0 | 0 | 111.6 | P294 C317 A325 G370 G371 L402 W405 | P294-L319 HydrophobicContact CB-CD1 4.45Å; P294-L319 HydrophobicContact CB-CD2 3.73Å; P294-L319 HydrophobicContact CB-CG 3.93Å; C317-L319 VanDerWaalsContact C-N 3.26Å; C317-L319 PolarHBondContact O-N 2.87Å; L319-A325 HydrophobicContact CD1-CB 4.29Å; L319-G370 CarbonylContact O-C 3.59Å; L319-G370 VanDerWaalsContact O-CA 3.23Å; L319-G370 WeakPolarHBondContact O-CA 3.29Å; L319-G371 PolarHBondContact O-N 3.13Å; L319-L402 HydrophobicContact CD1-CD1 4.33Å; L319-L402 HydrophobicContact CD1-CD2 3.66Å; L319-L402 HydrophobicContact CD2-CD1 4.22Å; L319-W405 HydrophobicContact CD2-CD2 4.15Å; L319-W405 HydrophobicContact CD2-CG 4.28Å; L319-W405 HydrophobicContact CD2-CZ2 4.28Å |
| 320 | P | 93.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 45.2 Ų | 45.2 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | trans | -54.1 | 144.2 | 172.4 | -25.3 | 34.5 | 0 | 0 | 0 | 111.7 | K322 S323 | P320-K322 PolarHBondContact O-N 3.44Å; P320-S323 WeakPolarHBondContact O-CA 3.45Å; P320-S323 WeakPolarHBondContact O-CB 3.21Å; P320-S323 PolarHBondContact O-N 3.23Å | ||
| 321 | P | 93.4 | Very high | 95.8 | Very high | 109 Ų | 109 | 45.7 Ų | 45.7 | 71% | 0.708 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.6 | -177.3 | -28.2 | 35.4 | 0 | 0 | 0 | 116.2 | S323 G370 | P321-S323 VanDerWaalsContact C-N 3.34Å; P321-G370 WeakPolarHBondContact CA-O 3.44Å |
| 322 | K | 92.4 | Very high | 95.9 | Very high | 205 Ų | 205 | 45.7 Ų | 45.7 | 89% | 0.891 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -12.8 | 175.4 | -64.7 | -178.9 | 179.4 | 177.5 | 0 | 113.2 | P320 | P320-K322 PolarHBondContact O-N 3.44Š|
| 323 | S | 94.1 | Very high | 95.9 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | trans | -97.4 | 153.3 | -179 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | P320 P321 G370 | P320-S323 WeakPolarHBondContact O-CA 3.45Å; P320-S323 WeakPolarHBondContact O-CB 3.21Å; P320-S323 PolarHBondContact O-N 3.23Å; P321-S323 VanDerWaalsContact C-N 3.34Å; S323-G370 PolarHBondContact O-N 2.87Å | ||
| 324 | T | 94.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 42.8 Ų | 42.8 | 27% | 0.27 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 128.2 | -177.8 | -59 | 0 | 0 | 0 | 0 | 108.5 | I326 R367 P403 | T324-I326 HydrophobicContact CG2-CG2 4.47Å; T324-R367 HydrophobicContact CG2-CG 3.32Å; T324-P403 WeakPolarHBondContact O-CD 3.4Å |
| 325 | A | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 143.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F295 L319 R367 F368 L402 | F295-A325 HydrophobicContact CE1-CB 4.15Å; F295-A325 HydrophobicContact CZ-CB 3.6Å; L319-A325 HydrophobicContact CD1-CB 4.29Å; A325-R367 WeakPolarHBondContact O-CA 3.49Å; A325-F368 HydrophobicContact CB-CB 4.35Å; A325-F368 PolarHBondContact N-O 3.14Å; A325-F368 PolarHBondContact O-N 2.72Å; A325-L402 HydrophobicContact CB-CD2 3.44Å; A325-L402 VanDerWaalsContact CB-CD2 3.44Å |
| 326 | I | 96 | Very high | 95.3 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 158.2 | 178.7 | 64.9 | 177.1 | 0 | 0 | 0 | 110.1 | T324 L328 P366 E401 P403 | T324-I326 HydrophobicContact CG2-CG2 4.47Å; I326-L328 PolarHBondContact O-N 2.95Å; I326-L328 VanDerWaalsContact O-N 3.13Å; I326-P366 WeakPolarHBondContact CA-O 3.31Å; I326-E401 HydrophobicContact CD1-CG 4.32Å; I326-E401 HydrophobicContact CG1-CB 3.92Å; I326-E401 HydrophobicContact CG1-CG 4.14Å; I326-E401 PolarHBondContact N-O 3.11Å; I326-E401 PolarHBondContact O-N 3.28Å; I326-E401 VanDerWaalsContact O-N 3.07Å; I326-P403 HydrophobicContact CD1-CG 4.28Å; I326-P403 HydrophobicContact CG1-CG 4.48Å |
| 327 | N | 94 | Very high | 94.9 | Very high | 103 Ų | 103 | 46.2 Ų | 46.2 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.8 | 37.8 | 177.6 | -58.9 | -34.9 | 0 | 0 | 0 | 112.5 | P366 | N327-P366 PolarHBondContact N-O 3.38Å |
| 328 | L | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 135.9 | 179.1 | -174.7 | 146.3 | 0 | 0 | 0 | 109.5 | F295 L315 I326 I365 F368 S399 F400 | F295-L328 HydrophobicContact CD1-CD1 4Å; F295-L328 HydrophobicContact CD2-CD1 4.3Å; F295-L328 HydrophobicContact CE1-CD1 3.47Å; F295-L328 VanDerWaalsContact CE1-CD1 3.47Å; F295-L328 HydrophobicContact CE2-CD1 3.82Å; F295-L328 HydrophobicContact CG-CD1 4.39Å; F295-L328 HydrophobicContact CZ-CD1 3.37Å; L315-L328 HydrophobicContact CD2-CD2 3.92Å; I326-L328 PolarHBondContact O-N 2.95Å; I326-L328 VanDerWaalsContact O-N 3.13Å; L328-I365 HydrophobicContact CB-CB 4.28Å; L328-I365 HydrophobicContact CD2-CB 3.87Å; L328-I365 HydrophobicContact CD2-CD1 3.75Å; L328-I365 HydrophobicContact CD2-CG1 3.94Å; L328-I365 PolarHBondContact N-O 3.32Å; L328-I365 CarbonylContact O-C 3.39Å; L328-I365 WeakPolarHBondContact O-CA 3.41Å; L328-I365 PolarHBondContact O-N 3.25Å; L328-I365 VanDerWaalsContact O-O 3.05Å; L328-F368 HydrophobicContact CD1-CD1 4.18Å; L328-S399 CarbonylContact C-O 3.56Å; L328-S399 WeakPolarHBondContact CA-O 3.45Å; L328-F400 HydrophobicContact CB-CB 4.11Å; L328-F400 HydrophobicContact CD1-CB 3.98Å; L328-F400 HydrophobicContact CG-CB 4.07Å |
| 329 | S | 96.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 140.9 | 169.5 | 61 | 0 | 0 | 0 | 0 | 111.1 | F362 W363 L398 S399 | S329-F362 WeakPolarHBondContact OG-CZ 3.47Å; S329-W363 CarbonylContact C-O 3.59Å; S329-W363 WeakPolarHBondContact CA-O 3.32Å; S329-L398 WeakPolarHBondContact O-CA 3.33Å; S329-S399 PolarHBondContact N-O 3.37Å; S329-S399 PolarHBondContact O-N 3.08Å |
| 330 | A | 97.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I332 W363 V396 G397 L398 | A330-I332 HydrophobicContact CB-CD1 4.02Å; A330-W363 HydrophobicContact CB-CB 4.28Å; A330-W363 HydrophobicContact CB-CE3 4.02Å; A330-W363 PolarHBondContact N-O 3.08Å; A330-W363 PolarHBondContact O-N 3.4Å; A330-V396 HydrophobicContact CB-CG1 4.09Å; A330-G397 CarbonylContact C-O 3.56Å; A330-G397 WeakPolarHBondContact CA-O 3.33Å; A330-L398 HydrophobicContact CB-CD2 3.5Å; A330-L398 VanDerWaalsContact CB-CD2 3.5Å |
| 331 | S | 97.3 | Very high | 94.8 | Very high | 42 Ų | 42 | 49 Ų | 49 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.1 | 174.6 | -61.7 | 0 | 0 | 0 | 0 | 108.2 | V396 G397 | S331-V396 WeakPolarHBondContact O-CA 3.41Å; S331-G397 PolarHBondContact N-O 3.15Å; S331-G397 PolarHBondContact O-N 3.1Å |
| 332 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 106.2 | -178.5 | -53.8 | 97.4 | 0 | 0 | 0 | 108.4 | M311 L313 A330 V334 T360 V361 W363 F378 V396 I442 | M311-I332 HydrophobicContact CE-CG2 4.19Å; M311-I332 HydrophobicContact SD-CG2 3.92Å; L313-I332 HydrophobicContact CD1-CD1 3.93Å; L313-I332 HydrophobicContact CD1-CG1 3.82Å; A330-I332 HydrophobicContact CB-CD1 4.02Å; I332-V334 PolarHBondContact O-N 3.03Å; I332-T360 CarbonylContact O-C 3.53Å; I332-T360 WeakPolarHBondContact O-CA 3.43Å; I332-V361 HydrophobicContact CB-CB 4.39Å; I332-V361 HydrophobicContact CD1-CG1 4.45Å; I332-V361 WeakPolarHBondContact CD1-O 3.32Å; I332-V361 PolarHBondContact N-O 3.47Å; I332-V361 PolarHBondContact O-N 3.33Å; I332-W363 HydrophobicContact CD1-CB 4.34Å; I332-F378 HydrophobicContact CD1-CE2 4.33Å; I332-V396 HydrophobicContact CB-CG2 4.41Å; I332-V396 HydrophobicContact CG1-CB 4.44Å; I332-V396 HydrophobicContact CG1-CG1 4.04Å; I332-V396 HydrophobicContact CG1-CG2 3.75Å; I332-V396 HydrophobicContact CG2-CG2 4.2Å; I332-I442 HydrophobicContact CG2-CD1 4.42Å |
| 333 | P | 97 | Very high | 95 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 137.1 | 169.2 | -24.7 | 34.3 | 0 | 0 | 0 | 110.8 | V393 G394 P395 | P333-V393 WeakPolarHBondContact O-CA 3.27Å; P333-G394 PolarHBondContact O-N 3.02Å; P333-P395 WeakPolarHBondContact CD-O 3.16Å |
| 334 | V | 96.2 | Very high | 95.1 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | trans | -130.4 | 163.3 | -179 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | M311 I332 A338 L354 R359 V361 L380 | M311-V334 HydrophobicContact CE-CG1 3.71Å; M311-V334 HydrophobicContact SD-CG1 4.17Å; I332-V334 PolarHBondContact O-N 3.03Å; V334-A338 HydrophobicContact CG2-CB 4.07Å; V334-L354 HydrophobicContact CG2-CD1 3.79Å; V334-R359 WeakPolarHBondContact CG2-O 3.04Å; V334-R359 PolarHBondContact N-O 3.08Å; V334-V361 HydrophobicContact CG1-CB 4.4Å; V334-V361 HydrophobicContact CG1-CG2 3.71Å; V334-V361 HydrophobicContact CG2-CG2 4.47Å; V334-L380 HydrophobicContact CB-CD2 3.95Å; V334-L380 HydrophobicContact CG1-CD2 3.77Å; V334-L380 HydrophobicContact CG2-CD2 4.06Å | ||
| 335 | P | 94.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | trans | -63.2 | 148.6 | -173.5 | -22.3 | 34.6 | 0 | 0 | 0 | 112.7 | L309 G337 A338 V382 S389 E392 V393 | L309-P335 HydrophobicContact CD2-CG 4.01Å; P335-G337 PolarHBondContact O-N 3.34Å; P335-A338 WeakPolarHBondContact O-CB 3.46Å; P335-A338 PolarHBondContact O-N 2.89Å; P335-V382 HydrophobicContact CB-CG1 4.28Å; P335-S389 VanDerWaalsContact CG-O 3.27Å; P335-S389 WeakPolarHBondContact CG-O 3.28Å; P335-E392 WeakPolarHBondContact CA-OE2 3.36Å; P335-E392 HydrophobicContact CB-CB 4.39Å; P335-V393 HydrophobicContact CG-CG2 4.01Å | ||
| 336 | R | 89 | Confident | 95.1 | Very high | 175 Ų | 175 | 47.4 Ų | 47.4 | 66% | 0.66 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26.2 | -176.6 | -60.7 | -178.9 | -177.8 | -167.4 | -1.2 | 114.5 | A338 E392 | R336-A338 VanDerWaalsContact C-N 3.33Å; R336-E392 WeakPolarHBondContact CG-OE2 3.34Å; R336-E392 PolarHBondContact N-OE2 3.49Å |
| 337 | G | 88.6 | Confident | 94.9 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 34% | 0.34 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P335 V339 P383 | P335-G337 PolarHBondContact O-N 3.34Å; G337-V339 PolarHBondContact O-N 2.91Å; G337-P383 WeakPolarHBondContact O-CD 3.46Å |
| 338 | A | 93.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | trans | -64.5 | 125.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | V334 P335 R336 L354 L356 L380 V382 | V334-A338 HydrophobicContact CG2-CB 4.07Å; P335-A338 WeakPolarHBondContact O-CB 3.46Å; P335-A338 PolarHBondContact O-N 2.89Å; R336-A338 VanDerWaalsContact C-N 3.33Å; A338-L354 HydrophobicContact CB-CD2 4.39Å; A338-L356 VanDerWaalsContact O-CD2 3.24Å; A338-L356 WeakPolarHBondContact O-CD2 3.28Å; A338-L380 HydrophobicContact CB-CD2 3.97Å; A338-V382 HydrophobicContact CB-CG2 4.18Å | ||
| 339 | V | 94.1 | Very high | 94.3 | Very high | 89 Ų | 89 | 53.7 Ų | 53.7 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | trans | -113.2 | -31 | -177.8 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | G337 D381 P383 | G337-V339 PolarHBondContact O-N 2.91Å; V339-D381 HydrophobicContact CG2-CB 3.86Å; V339-D381 WeakPolarHBondContact CG2-O 3.42Å; V339-D381 PolarHBondContact N-O 2.83Å; V339-P383 HydrophobicContact CG1-CG 4.37Å; V339-P383 HydrophobicContact CG2-CG 4.42Å | ||
| 340 | S | 93.9 | Very high | 94.2 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 159.6 | -175.6 | 83.2 | 0 | 0 | 0 | 0 | 110.9 | L380 D381 | S340-L380 WeakPolarHBondContact O-CA 3.42Å; S340-D381 PolarHBondContact O-N 2.76Å; S340-D381 VanDerWaalsContact OG-CB 3.28Å; S340-D381 WeakPolarHBondContact OG-CB 3.36Å; S340-D381 PolarHBondContact OG-OD2 2.78Å |
| 341 | L | 96.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 126.2 | 175 | 172.9 | 68.9 | 0 | 0 | 0 | 109.6 | A352 L354 V361 F378 L380 | L341-A352 HydrophobicContact CD2-CB 4.41Å; L341-L354 HydrophobicContact CB-CB 3.81Å; L341-L354 HydrophobicContact CB-CD2 4.36Å; L341-L354 HydrophobicContact CD2-CB 4.15Å; L341-V361 HydrophobicContact CD1-CG2 4.26Å; L341-V361 HydrophobicContact CD2-CG1 4.04Å; L341-V361 HydrophobicContact CD2-CG2 4.33Å; L341-F378 HydrophobicContact CD1-CB 3.75Å; L341-F378 HydrophobicContact CD1-CD1 3.96Å; L341-F378 HydrophobicContact CD1-CG 4.15Å; L341-L380 HydrophobicContact CD1-CD1 3.82Å; L341-L380 HydrophobicContact CD1-CG 3.94Å |
| 342 | S | 95.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 55 Ų | 55 | 42% | 0.42 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.8 | 161.9 | 172.7 | 0 | 0 | 0 | 0 | 108.8 | K379 | S342-K379 PolarHBondContact N-O 3.05Å; S342-K379 PolarHBondContact O-N 3.37Å |
| 343 | Q | 95 | Very high | 94.1 | Very high | 77 Ų | 77 | 60 Ų | 60 | 36% | 0.36 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.4 | -173.1 | 64.9 | -173.8 | -38.3 | 0 | 0 | 111.8 | L345 A352 L377 F378 | Q343-L345 HydrophobicContact CG-CG 4.5Å; Q343-A352 PolarHBondContact NE2-O 3.4Å; Q343-A352 PolarHBondContact OE1-O 3.01Å; Q343-L377 CarbonylContact C-O 3.59Å; Q343-L377 WeakPolarHBondContact CA-O 3.48Å; Q343-F378 HydrophobicContact CB-CD1 3.96Å; Q343-F378 HydrophobicContact CB-CE1 4.11Å |
| 344 | E | 96.5 | Very high | 94 | Very high | 102 Ų | 102 | 59.7 Ų | 59.7 | 48% | 0.477 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 115.2 | 167.2 | -64.1 | 170.4 | -162.4 | 0 | 0 | 107.9 | A376 L377 K379 | E344-A376 CarbonylContact O-C 3.55Å; E344-A376 WeakPolarHBondContact O-CA 3.17Å; E344-L377 HydrophobicContact CB-CB 4.23Å; E344-L377 PolarHBondContact N-O 2.83Å; E344-L377 PolarHBondContact O-N 2.89Å; E344-K379 WeakPolarHBondContact OE1-CE 3.47Å; E344-K379 IonicContact OE1-NZ 3.97Å; E344-K379 PolarHBondContact OE1-NZ 2.72Å |
| 345 | L | 96.7 | Very high | 94 | Very high | 47 Ų | 47 | 62.1 Ų | 62.1 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143.6 | -171.7 | -59.8 | 177.7 | 0 | 0 | 0 | 110.4 | Q343 S347 Q350 A376 F378 | Q343-L345 HydrophobicContact CG-CG 4.5Å; L345-S347 PolarHBondContact O-N 3.03Å; L345-Q350 HydrophobicContact CB-CB 4.33Å; L345-Q350 HydrophobicContact CD1-CB 3.72Å; L345-Q350 WeakPolarHBondContact CD1-O 3.44Å; L345-Q350 HydrophobicContact CG-CB 4.46Å; L345-A376 HydrophobicContact CD2-CB 3.57Å; L345-F378 HydrophobicContact CD2-CE1 3.99Å; L345-F378 HydrophobicContact CD2-CZ 4.36Å |
| 346 | S | 94.4 | Very high | 93.8 | Very high | 66 Ų | 66 | 67 Ų | 67 | 46% | 0.462 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -73.5 | -10.8 | -178.3 | 71.4 | 0 | 0 | 0 | 0 | 114.3 | Q350 S375 | S346-Q350 PolarHBondContact OG-NE2 2.79Å; S346-S375 VanDerWaalsContact CB-O 3.25Å; S346-S375 WeakPolarHBondContact CB-O 3.48Å; S346-S375 PolarHBondContact N-O 3.39Å; S346-S375 PolarHBondContact OG-N 2.89Å; S346-S375 PolarHBondContact OG-O 3.02Å |
| 347 | S | 91.5 | Very high | 93.8 | Very high | 33 Ų | 33 | 67.6 Ų | 67.6 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -148.2 | 143.1 | -179.5 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | L345 D349 Q350 | L345-S347 PolarHBondContact O-N 3.03Å; S347-D349 VanDerWaalsContact C-N 3.26Å; S347-D349 PolarHBondContact O-N 2.8Å; S347-D349 PolarHBondContact OG-N 3.19Å; S347-Q350 PolarHBondContact O-N 3.05Å |
| 348 | P | 88.2 | Confident | 93.8 | Very high | 125 Ų | 125 | 70.8 Ų | 70.8 | 81% | 0.812 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.8 | -179.3 | 29.6 | -37.1 | 0 | 0 | 0 | 114.1 | Q350 | P348-Q350 PolarHBondContact O-N 3.3Š|
| 349 | D | 90.1 | Very high | 93.8 | Very high | 124 Ų | 124 | 75.8 Ų | 75.8 | 66% | 0.663 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -10.2 | -179.9 | -64.7 | -30.3 | 0 | 0 | 0 | 112.7 | S347 P366 | S347-D349 VanDerWaalsContact C-N 3.26Å; S347-D349 PolarHBondContact O-N 2.8Å; S347-D349 PolarHBondContact OG-N 3.19Å; D349-P366 WeakPolarHBondContact O-CD 3.39Å; D349-P366 WeakPolarHBondContact O-CG 3.38Å |
| 350 | Q | 95.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 72.5 Ų | 72.5 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | trans | -87.4 | 151 | 177.4 | -61.8 | 169.4 | 26.7 | 0 | 0 | 110.4 | L345 S346 S347 P348 W363 K364 I365 | L345-Q350 HydrophobicContact CB-CB 4.33Å; L345-Q350 HydrophobicContact CD1-CB 3.72Å; L345-Q350 WeakPolarHBondContact CD1-O 3.44Å; L345-Q350 HydrophobicContact CG-CB 4.46Å; S346-Q350 PolarHBondContact OG-NE2 2.79Å; S347-Q350 PolarHBondContact O-N 3.05Å; P348-Q350 PolarHBondContact O-N 3.3Å; Q350-W363 VanDerWaalsContact OE1-NE1 3.15Å; Q350-K364 WeakPolarHBondContact CA-O 3.42Å; Q350-I365 HydrophobicContact CG-CG1 4.39Å | ||
| 351 | S | 96.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 42% | 0.42 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.9 | 168.6 | 63 | 0 | 0 | 0 | 0 | 110.3 | W363 K364 | S351-W363 CarbonylContact O-C 3.56Å; S351-K364 PolarHBondContact N-O 3.44Å; S351-K364 VanDerWaalsContact N-O 3.11Å; S351-K364 PolarHBondContact O-N 3.33Å |
| 352 | A | 97.2 | Very high | 94.2 | Very high | 10 Ų | 10 | 71 Ų | 71 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L341 Q343 V361 F362 W363 F378 | L341-A352 HydrophobicContact CD2-CB 4.41Å; Q343-A352 PolarHBondContact NE2-O 3.4Å; Q343-A352 PolarHBondContact OE1-O 3.01Å; A352-V361 HydrophobicContact CB-CG1 4.32Å; A352-F362 WeakPolarHBondContact CA-O 3.19Å; A352-W363 HydrophobicContact CB-CB 4.24Å; A352-F378 HydrophobicContact CB-CD1 4.3Å; A352-F378 HydrophobicContact CB-CE1 3.36Å; A352-F378 HydrophobicContact CB-CZ 3.74Å |
| 353 | E | 96.3 | Very high | 94.3 | Very high | 103 Ų | 103 | 68.2 Ų | 68.2 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.7 | 178.5 | 60.7 | 178.9 | -159.7 | 0 | 0 | 110.5 | Q355 V361 F362 | E353-Q355 HydrophobicContact CG-CG 4.32Å; E353-Q355 PolarHBondContact OE1-NE2 2.88Å; E353-V361 WeakPolarHBondContact O-CA 3.46Å; E353-F362 HydrophobicContact CG-CB 3.94Å; E353-F362 HydrophobicContact CG-CD1 4.45Å; E353-F362 PolarHBondContact N-O 3.08Å; E353-F362 PolarHBondContact O-N 2.94Å |
| 354 | L | 96.6 | Very high | 94.4 | Very high | 35 Ų | 35 | 69.6 Ų | 69.6 | 18% | 0.183 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.6 | 171.9 | 177.2 | 61.8 | 0 | 0 | 0 | 109.1 | V334 A338 L341 L356 V361 L380 | V334-L354 HydrophobicContact CG2-CD1 3.79Å; A338-L354 HydrophobicContact CB-CD2 4.39Å; L341-L354 HydrophobicContact CB-CB 3.81Å; L341-L354 HydrophobicContact CB-CD2 4.36Å; L341-L354 HydrophobicContact CD2-CB 4.15Å; L354-L356 HydrophobicContact CD2-CD2 3.71Å; L354-L356 HydrophobicContact CG-CD2 3.94Å; L354-L356 HydrophobicContact CG-CG 4.48Å; L354-L356 PolarHBondContact O-N 2.86Å; L354-V361 HydrophobicContact CD1-CG2 3.96Å; L354-L380 HydrophobicContact CD1-CD2 4.27Å |
| 355 | Q | 94.8 | Very high | 94.5 | Very high | 56 Ų | 56 | 64.9 Ų | 64.9 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 97 | 174.9 | -63.5 | -176.5 | -10.9 | 0 | 0 | 109.3 | E353 Q357 N358 R359 T360 F362 | E353-Q355 HydrophobicContact CG-CG 4.32Å; E353-Q355 PolarHBondContact OE1-NE2 2.88Å; Q355-Q357 VanDerWaalsContact C-N 3.33Å; Q355-Q357 PolarHBondContact O-N 3.42Å; Q355-N358 HydrophobicContact CB-CB 4.23Å; Q355-N358 CarbonylContact O-C 3.58Å; Q355-N358 PolarHBondContact O-N 3.06Å; Q355-N358 PolarHBondContact OE1-ND2 3.13Å; Q355-R359 WeakPolarHBondContact O-CA 3.43Å; Q355-R359 PolarHBondContact O-N 3.17Å; Q355-T360 PolarHBondContact N-O 3.01Å; Q355-T360 PolarHBondContact O-N 3.21Å; Q355-F362 HydrophobicContact CG-CB 4.46Å |
| 356 | L | 90.9 | Very high | 94.4 | Very high | 105 Ų | 105 | 65.2 Ų | 65.2 | 55% | 0.55 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -36.1 | -176 | -66.2 | 174.8 | 0 | 0 | 0 | 113.3 | A338 L354 N358 R359 | A338-L356 VanDerWaalsContact O-CD2 3.24Å; A338-L356 WeakPolarHBondContact O-CD2 3.28Å; L354-L356 HydrophobicContact CD2-CD2 3.71Å; L354-L356 HydrophobicContact CG-CD2 3.94Å; L354-L356 HydrophobicContact CG-CG 4.48Å; L354-L356 PolarHBondContact O-N 2.86Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 2.77Å; L356-R359 PolarHBondContact O-N 3.02Å |
| 357 | Q | 88.8 | Confident | 94.4 | Very high | 187 Ų | 187 | 70.5 Ų | 70.5 | 87% | 0.874 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -42.8 | 178 | -65.9 | 178.2 | 2 | 0 | 0 | 111.4 | Q355 | Q355-Q357 VanDerWaalsContact C-N 3.33Å; Q355-Q357 PolarHBondContact O-N 3.42Å |
| 358 | N | 89 | Confident | 94.6 | Very high | 101 Ų | 101 | 69 Ų | 69 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3.3 | -178.6 | -60.9 | -16.5 | 0 | 0 | 0 | 112.8 | Q355 L356 T360 | Q355-N358 HydrophobicContact CB-CB 4.23Å; Q355-N358 CarbonylContact O-C 3.58Å; Q355-N358 PolarHBondContact O-N 3.06Å; Q355-N358 PolarHBondContact OE1-ND2 3.13Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 2.77Å; N358-T360 PolarHBondContact O-N 3.04Å; N358-T360 PolarHBondContact O-OG1 2.93Å |
| 359 | R | 93.6 | Very high | 95 | Very high | 116 Ų | 116 | 65.8 Ų | 65.8 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 47.3 | -174.8 | -57.5 | 174.9 | 179.8 | 151.5 | 3.8 | 112.3 | V334 Q355 L356 | V334-R359 WeakPolarHBondContact CG2-O 3.04Å; V334-R359 PolarHBondContact N-O 3.08Å; Q355-R359 WeakPolarHBondContact O-CA 3.43Å; Q355-R359 PolarHBondContact O-N 3.17Å; L356-R359 PolarHBondContact O-N 3.02Å |
| 360 | T | 96.5 | Very high | 95.3 | Very high | 20 Ų | 20 | 60.1 Ų | 60.1 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.9 | -170.6 | -65.5 | 0 | 0 | 0 | 0 | 109.9 | I332 Q355 N358 | I332-T360 CarbonylContact O-C 3.53Å; I332-T360 WeakPolarHBondContact O-CA 3.43Å; Q355-T360 PolarHBondContact N-O 3.01Å; Q355-T360 PolarHBondContact O-N 3.21Å; N358-T360 PolarHBondContact O-N 3.04Å; N358-T360 PolarHBondContact O-OG1 2.93Å |
| 361 | V | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 120.5 | 161.8 | 174 | 0 | 0 | 0 | 0 | 107.7 | M311 I332 V334 L341 A352 E353 L354 F378 L380 | M311-V361 HydrophobicContact CE-CG2 4.11Å; I332-V361 HydrophobicContact CB-CB 4.39Å; I332-V361 HydrophobicContact CD1-CG1 4.45Å; I332-V361 WeakPolarHBondContact CD1-O 3.32Å; I332-V361 PolarHBondContact N-O 3.47Å; I332-V361 PolarHBondContact O-N 3.33Å; V334-V361 HydrophobicContact CG1-CB 4.4Å; V334-V361 HydrophobicContact CG1-CG2 3.71Å; V334-V361 HydrophobicContact CG2-CG2 4.47Å; L341-V361 HydrophobicContact CD1-CG2 4.26Å; L341-V361 HydrophobicContact CD2-CG1 4.04Å; L341-V361 HydrophobicContact CD2-CG2 4.33Å; A352-V361 HydrophobicContact CB-CG1 4.32Å; E353-V361 WeakPolarHBondContact O-CA 3.46Å; L354-V361 HydrophobicContact CD1-CG2 3.96Å; V361-F378 HydrophobicContact CG1-CD1 4.36Å; V361-F378 HydrophobicContact CG1-CD2 4.1Å; V361-F378 HydrophobicContact CG1-CE1 4.35Å; V361-F378 HydrophobicContact CG1-CE2 4.06Å; V361-F378 HydrophobicContact CG1-CG 4.25Å; V361-F378 HydrophobicContact CG1-CZ 4.2Å; V361-L380 HydrophobicContact CG2-CD1 4.36Å; V361-L380 HydrophobicContact CG2-CD2 3.9Å |
| 362 | F | 97.5 | Very high | 95.3 | Very high | 51 Ų | 51 | 62.1 Ų | 62.1 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 107.7 | 178.8 | -171.3 | -96.4 | 0 | 0 | 0 | 109.2 | S329 A352 E353 Q355 K364 | S329-F362 WeakPolarHBondContact OG-CZ 3.47Å; A352-F362 WeakPolarHBondContact CA-O 3.19Å; E353-F362 HydrophobicContact CG-CB 3.94Å; E353-F362 HydrophobicContact CG-CD1 4.45Å; E353-F362 PolarHBondContact N-O 3.08Å; E353-F362 PolarHBondContact O-N 2.94Å; Q355-F362 HydrophobicContact CG-CB 4.46Å; F362-K364 HydrophobicContact CE1-CB 4.27Å |
| 363 | W | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 112.9 | 179.4 | 178.2 | 30.6 | 0 | 0 | 0 | 110.3 | L313 L315 S329 A330 I332 Q350 S351 A352 I365 L374 A376 F378 | L313-W363 HydrophobicContact CB-CZ3 4.34Å; L315-W363 HydrophobicContact CB-CH2 4.04Å; L315-W363 HydrophobicContact CB-CZ3 4.03Å; L315-W363 HydrophobicContact CD2-CZ3 4.4Å; S329-W363 CarbonylContact C-O 3.59Å; S329-W363 WeakPolarHBondContact CA-O 3.32Å; A330-W363 HydrophobicContact CB-CB 4.28Å; A330-W363 HydrophobicContact CB-CE3 4.02Å; A330-W363 PolarHBondContact N-O 3.08Å; A330-W363 PolarHBondContact O-N 3.4Å; I332-W363 HydrophobicContact CD1-CB 4.34Å; Q350-W363 VanDerWaalsContact OE1-NE1 3.15Å; S351-W363 CarbonylContact O-C 3.56Å; A352-W363 HydrophobicContact CB-CB 4.24Å; W363-I365 HydrophobicContact CD2-CD1 3.96Å; W363-I365 HydrophobicContact CD2-CG1 4.21Å; W363-I365 HydrophobicContact CE3-CD1 4.24Å; W363-I365 HydrophobicContact CG-CG1 4.46Å; W363-I365 HydrophobicContact CH2-CD1 3.8Å; W363-I365 HydrophobicContact CZ2-CD1 3.46Å; W363-I365 VanDerWaalsContact CZ2-CD1 3.46Å; W363-I365 HydrophobicContact CZ2-CG1 4.22Å; W363-I365 HydrophobicContact CZ3-CD1 4.17Å; W363-L374 HydrophobicContact CH2-CB 4.47Å; W363-L374 HydrophobicContact CZ2-CB 4.39Å; W363-A376 HydrophobicContact CD2-CB 4.21Å; W363-A376 HydrophobicContact CE3-CB 4.42Å; W363-A376 HydrophobicContact CH2-CB 3.95Å; W363-A376 HydrophobicContact CZ2-CB 3.69Å; W363-A376 HydrophobicContact CZ3-CB 4.3Å; W363-F378 HydrophobicContact CB-CE2 4.38Å; W363-F378 HydrophobicContact CB-CZ 3.88Å; W363-F378 HydrophobicContact CD2-CZ 4.14Å; W363-F378 AromaticContact CG-CZ 3.82Å; W363-F378 HydrophobicContact CG-CZ 3.82Å |
| 364 | K | 97.8 | Very high | 95.4 | Very high | 107 Ų | 107 | 63 Ų | 63 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.2 | -178.2 | -169 | 175.7 | -176.6 | 176.2 | 0 | 111.1 | Q350 S351 F362 | Q350-K364 WeakPolarHBondContact CA-O 3.42Å; S351-K364 PolarHBondContact N-O 3.44Å; S351-K364 VanDerWaalsContact N-O 3.11Å; S351-K364 PolarHBondContact O-N 3.33Å; F362-K364 HydrophobicContact CE1-CB 4.27Å |
| 365 | I | 97.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 92.5 | 177.9 | -49.7 | -171.6 | 0 | 0 | 0 | 107.8 | L315 L328 Q350 W363 R367 F368 L374 | L315-I365 HydrophobicContact CD2-CD1 4.08Å; L328-I365 HydrophobicContact CB-CB 4.28Å; L328-I365 HydrophobicContact CD2-CB 3.87Å; L328-I365 HydrophobicContact CD2-CD1 3.75Å; L328-I365 HydrophobicContact CD2-CG1 3.94Å; L328-I365 PolarHBondContact N-O 3.32Å; L328-I365 CarbonylContact O-C 3.39Å; L328-I365 WeakPolarHBondContact O-CA 3.41Å; L328-I365 PolarHBondContact O-N 3.25Å; L328-I365 VanDerWaalsContact O-O 3.05Å; Q350-I365 HydrophobicContact CG-CG1 4.39Å; W363-I365 HydrophobicContact CD2-CD1 3.96Å; W363-I365 HydrophobicContact CD2-CG1 4.21Å; W363-I365 HydrophobicContact CE3-CD1 4.24Å; W363-I365 HydrophobicContact CG-CG1 4.46Å; W363-I365 HydrophobicContact CH2-CD1 3.8Å; W363-I365 HydrophobicContact CZ2-CD1 3.46Å; W363-I365 VanDerWaalsContact CZ2-CD1 3.46Å; W363-I365 HydrophobicContact CZ2-CG1 4.22Å; W363-I365 HydrophobicContact CZ3-CD1 4.17Å; I365-R367 PolarHBondContact O-N 3.37Å; I365-F368 HydrophobicContact CG2-CB 4.06Å; I365-F368 HydrophobicContact CG2-CG 4.44Å; I365-L374 HydrophobicContact CD1-CD1 4.04Å; I365-L374 HydrophobicContact CG2-CD1 3.59Å |
| 366 | P | 94.5 | Very high | 95.6 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | -34.4 | -174.6 | -26.7 | 35.2 | 0 | 0 | 0 | 113.8 | I326 N327 D349 | I326-P366 WeakPolarHBondContact CA-O 3.31Å; N327-P366 PolarHBondContact N-O 3.38Å; D349-P366 WeakPolarHBondContact O-CD 3.39Å; D349-P366 WeakPolarHBondContact O-CG 3.38Å |
| 367 | R | 94.9 | Very high | 95.9 | Very high | 178 Ų | 178 | 56.3 Ų | 56.3 | 67% | 0.672 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 133.9 | -178.5 | -172.8 | 176.3 | -70.3 | 176.2 | 1.1 | 110.6 | T324 A325 I365 | T324-R367 HydrophobicContact CG2-CG 3.32Å; A325-R367 WeakPolarHBondContact O-CA 3.49Å; I365-R367 PolarHBondContact O-N 3.37Å |
| 368 | F | 96.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 110.2 | 178.2 | -164.1 | -177.9 | 0 | 0 | 0 | 111.4 | F295 L315 C317 A325 L328 I365 T372 L374 | F295-F368 HydrophobicContact CD1-CD1 4.23Å; F295-F368 HydrophobicContact CD1-CE1 4.14Å; F295-F368 AromaticContact CE1-CD1 3.85Å; F295-F368 HydrophobicContact CE1-CD1 3.85Å; F295-F368 HydrophobicContact CE1-CE1 4.21Å; L315-F368 HydrophobicContact CB-CE1 4.34Å; L315-F368 HydrophobicContact CD2-CD1 4.23Å; L315-F368 HydrophobicContact CD2-CE1 3.67Å; L315-F368 HydrophobicContact CG-CE1 3.8Å; L315-F368 HydrophobicContact CG-CZ 4.49Å; L315-F368 WeakPolarHBondContact O-CZ 3.49Å; C317-F368 HydrophobicContact CB-CD1 4.02Å; C317-F368 HydrophobicContact CB-CD2 3.85Å; C317-F368 HydrophobicContact CB-CE1 3.76Å; C317-F368 HydrophobicContact CB-CE2 3.59Å; C317-F368 HydrophobicContact CB-CG 4.06Å; C317-F368 HydrophobicContact CB-CZ 3.54Å; A325-F368 HydrophobicContact CB-CB 4.35Å; A325-F368 PolarHBondContact N-O 3.14Å; A325-F368 PolarHBondContact O-N 2.72Å; L328-F368 HydrophobicContact CD1-CD1 4.18Å; I365-F368 HydrophobicContact CG2-CB 4.06Å; I365-F368 HydrophobicContact CG2-CG 4.44Å; F368-T372 WeakPolarHBondContact CD2-OG1 3.46Å; F368-T372 VanDerWaalsContact CE2-OG1 3.28Å; F368-T372 WeakPolarHBondContact CE2-OG1 3.32Å; F368-L374 HydrophobicContact CD1-CD1 4.39Å; F368-L374 HydrophobicContact CD2-CD1 3.74Å; F368-L374 HydrophobicContact CD2-CG 4.05Å; F368-L374 HydrophobicContact CE1-CD1 4.48Å; F368-L374 HydrophobicContact CE2-CB 4.42Å; F368-L374 HydrophobicContact CE2-CD1 3.83Å; F368-L374 HydrophobicContact CE2-CG 3.66Å; F368-L374 HydrophobicContact CG-CD1 4.04Å; F368-L374 HydrophobicContact CZ-CB 4.34Å; F368-L374 HydrophobicContact CZ-CD1 4.21Å; F368-L374 HydrophobicContact CZ-CG 4.05Å |
| 369 | C | 96.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 38% | 0.378 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 141.1 | -177 | -60.6 | 0 | 0 | 0 | 0 | 112 | C317 T372 | C317-C369 WeakPolarHBondContact CB-O 3.4Å; C369-T372 HydrophobicContact CB-CG2 3.92Å; C369-T372 PolarHBondContact O-N 3.33Å; C369-T372 PolarHBondContact O-OG1 3.41Å |
| 370 | G | 96.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 147 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L319 P321 S323 T372 | L319-G370 CarbonylContact O-C 3.59Å; L319-G370 VanDerWaalsContact O-CA 3.23Å; L319-G370 WeakPolarHBondContact O-CA 3.29Å; P321-G370 WeakPolarHBondContact CA-O 3.44Å; S323-G370 PolarHBondContact O-N 2.87Å; G370-T372 PolarHBondContact O-N 3.07Å |
| 371 | G | 95.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 60% | 0.598 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 5.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | C317 L319 | C317-G371 WeakPolarHBondContact O-CA 3.44Å; C317-G371 PolarHBondContact O-N 2.92Å; L319-G371 PolarHBondContact O-N 3.13Å |
| 372 | T | 96.7 | Very high | 96.5 | Very high | 58 Ų | 58 | 41.8 Ų | 41.8 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | trans | -107.5 | 168.8 | 179.2 | 72.2 | 0 | 0 | 0 | 0 | 112 | C317 F368 C369 G370 | C317-T372 PolarHBondContact N-O 3.27Å; F368-T372 WeakPolarHBondContact CD2-OG1 3.46Å; F368-T372 VanDerWaalsContact CE2-OG1 3.28Å; F368-T372 WeakPolarHBondContact CE2-OG1 3.32Å; C369-T372 HydrophobicContact CB-CG2 3.92Å; C369-T372 PolarHBondContact O-N 3.33Å; C369-T372 PolarHBondContact O-OG1 3.41Å; G370-T372 PolarHBondContact O-N 3.07Å | ||
| 373 | Q | 96.9 | Very high | 96.2 | Very high | 105 Ų | 105 | 44 Ų | 44 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.1 | 177 | 67.3 | -171.2 | 8.4 | 0 | 0 | 109.6 | L315 R316 | L315-Q373 CarbonylContact O-C 3.6Å; L315-Q373 VanDerWaalsContact O-CA 3.32Å; L315-Q373 WeakPolarHBondContact O-CA 3.46Å; R316-Q373 HydrophobicContact CG-CB 4.44Å |
| 374 | L | 97.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 153.7 | 174.6 | -63.3 | 175.4 | 0 | 0 | 0 | 108.8 | K314 L315 W363 I365 F368 | K314-L374 CarbonylContact C-O 3.58Å; K314-L374 WeakPolarHBondContact CA-O 3.28Å; L315-L374 PolarHBondContact N-O 3.3Å; L315-L374 PolarHBondContact O-N 3.11Å; W363-L374 HydrophobicContact CH2-CB 4.47Å; W363-L374 HydrophobicContact CZ2-CB 4.39Å; I365-L374 HydrophobicContact CD1-CD1 4.04Å; I365-L374 HydrophobicContact CG2-CD1 3.59Å; F368-L374 HydrophobicContact CD1-CD1 4.39Å; F368-L374 HydrophobicContact CD2-CD1 3.74Å; F368-L374 HydrophobicContact CD2-CG 4.05Å; F368-L374 HydrophobicContact CE1-CD1 4.48Å; F368-L374 HydrophobicContact CE2-CB 4.42Å; F368-L374 HydrophobicContact CE2-CD1 3.83Å; F368-L374 HydrophobicContact CE2-CG 3.66Å; F368-L374 HydrophobicContact CG-CD1 4.04Å; F368-L374 HydrophobicContact CZ-CB 4.34Å; F368-L374 HydrophobicContact CZ-CD1 4.21Å; F368-L374 HydrophobicContact CZ-CG 4.05Å |
| 375 | S | 97.3 | Very high | 95.3 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 141.9 | -179.5 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | L313 S346 | L313-S375 CarbonylContact O-C 3.57Å; L313-S375 VanDerWaalsContact O-CA 3.28Å; L313-S375 WeakPolarHBondContact O-CA 3.15Å; S346-S375 VanDerWaalsContact CB-O 3.25Å; S346-S375 WeakPolarHBondContact CB-O 3.48Å; S346-S375 PolarHBondContact N-O 3.39Å; S346-S375 PolarHBondContact OG-N 2.89Å; S346-S375 PolarHBondContact OG-O 3.02Å |
| 376 | A | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L313 E344 L345 W363 F378 | L313-A376 PolarHBondContact N-O 3.18Å; L313-A376 PolarHBondContact O-N 3.5Å; E344-A376 CarbonylContact O-C 3.55Å; E344-A376 WeakPolarHBondContact O-CA 3.17Å; L345-A376 HydrophobicContact CD2-CB 3.57Å; W363-A376 HydrophobicContact CD2-CB 4.21Å; W363-A376 HydrophobicContact CE3-CB 4.42Å; W363-A376 HydrophobicContact CH2-CB 3.95Å; W363-A376 HydrophobicContact CZ2-CB 3.69Å; W363-A376 HydrophobicContact CZ3-CB 4.3Å; A376-F378 HydrophobicContact CB-CE1 4.01Å; A376-F378 HydrophobicContact CB-CE2 3.91Å; A376-F378 HydrophobicContact CB-CZ 3.55Å |
| 377 | L | 97.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 18% | 0.183 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.2 | 167.7 | 174.9 | 63.2 | 0 | 0 | 0 | 108.4 | M311 Y312 Q343 E344 K379 | M311-L377 WeakPolarHBondContact O-CA 3.41Å; Y312-L377 HydrophobicContact CD2-CB 4.32Å; Y312-L377 HydrophobicContact CD2-CD1 4.5Å; Q343-L377 CarbonylContact C-O 3.59Å; Q343-L377 WeakPolarHBondContact CA-O 3.48Å; E344-L377 HydrophobicContact CB-CB 4.23Å; E344-L377 PolarHBondContact N-O 2.83Å; E344-L377 PolarHBondContact O-N 2.89Å; L377-K379 VanDerWaalsContact CD2-CE 3.45Å; L377-K379 HydrophobicContact CG-CG 4.3Å |
| 378 | F | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.3 | 175.2 | -58.6 | -50.4 | 0 | 0 | 0 | 109.8 | L310 M311 L313 I332 L341 Q343 L345 A352 V361 W363 A376 L380 | L310-F378 WeakPolarHBondContact CA-O 3.46Å; M311-F378 HydrophobicContact CB-CB 4.31Å; M311-F378 HydrophobicContact CE-CB 3.93Å; M311-F378 HydrophobicContact CE-CD2 4.16Å; M311-F378 HydrophobicContact CE-CG 4.45Å; M311-F378 PolarHBondContact N-O 2.85Å; M311-F378 PolarHBondContact O-N 3.23Å; L313-F378 HydrophobicContact CD1-CD2 4.13Å; L313-F378 HydrophobicContact CD1-CE2 3.87Å; I332-F378 HydrophobicContact CD1-CE2 4.33Å; L341-F378 HydrophobicContact CD1-CB 3.75Å; L341-F378 HydrophobicContact CD1-CD1 3.96Å; L341-F378 HydrophobicContact CD1-CG 4.15Å; Q343-F378 HydrophobicContact CB-CD1 3.96Å; Q343-F378 HydrophobicContact CB-CE1 4.11Å; L345-F378 HydrophobicContact CD2-CE1 3.99Å; L345-F378 HydrophobicContact CD2-CZ 4.36Å; A352-F378 HydrophobicContact CB-CD1 4.3Å; A352-F378 HydrophobicContact CB-CE1 3.36Å; A352-F378 HydrophobicContact CB-CZ 3.74Å; V361-F378 HydrophobicContact CG1-CD1 4.36Å; V361-F378 HydrophobicContact CG1-CD2 4.1Å; V361-F378 HydrophobicContact CG1-CE1 4.35Å; V361-F378 HydrophobicContact CG1-CE2 4.06Å; V361-F378 HydrophobicContact CG1-CG 4.25Å; V361-F378 HydrophobicContact CG1-CZ 4.2Å; W363-F378 HydrophobicContact CB-CE2 4.38Å; W363-F378 HydrophobicContact CB-CZ 3.88Å; W363-F378 HydrophobicContact CD2-CZ 4.14Å; W363-F378 AromaticContact CG-CZ 3.82Å; W363-F378 HydrophobicContact CG-CZ 3.82Å; A376-F378 HydrophobicContact CB-CE1 4.01Å; A376-F378 HydrophobicContact CB-CE2 3.91Å; A376-F378 HydrophobicContact CB-CZ 3.55Å; F378-L380 HydrophobicContact CB-CD1 3.89Å |
| 379 | K | 96.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 43 Ų | 43 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 109.7 | 176.9 | -48.5 | -177.8 | 172.3 | 162.8 | 0 | 107.4 | L309 L310 S342 E344 L377 | L309-K379 WeakPolarHBondContact O-CA 3.36Å; L310-K379 HydrophobicContact CD2-CB 3.97Å; L310-K379 HydrophobicContact CD2-CD 4.17Å; L310-K379 HydrophobicContact CD2-CG 3.6Å; S342-K379 PolarHBondContact N-O 3.05Å; S342-K379 PolarHBondContact O-N 3.37Å; E344-K379 WeakPolarHBondContact OE1-CE 3.47Å; E344-K379 IonicContact OE1-NZ 3.97Å; E344-K379 PolarHBondContact OE1-NZ 2.72Å; L377-K379 VanDerWaalsContact CD2-CE 3.45Å; L377-K379 HydrophobicContact CG-CG 4.3Å |
| 380 | L | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.1 | -178.8 | -70.4 | 88.3 | 0 | 0 | 0 | 110.7 | R308 L309 M311 V334 A338 S340 L341 L354 V361 F378 V382 | R308-L380 WeakPolarHBondContact CB-O 3.39Å; L309-L380 HydrophobicContact CB-CB 4.21Å; L309-L380 HydrophobicContact CD2-CB 4.49Å; L309-L380 PolarHBondContact N-O 3.34Å; L309-L380 PolarHBondContact O-N 3.03Å; M311-L380 HydrophobicContact CE-CD1 3.36Å; V334-L380 HydrophobicContact CB-CD2 3.95Å; V334-L380 HydrophobicContact CG1-CD2 3.77Å; V334-L380 HydrophobicContact CG2-CD2 4.06Å; A338-L380 HydrophobicContact CB-CD2 3.97Å; S340-L380 WeakPolarHBondContact O-CA 3.42Å; L341-L380 HydrophobicContact CD1-CD1 3.82Å; L341-L380 HydrophobicContact CD1-CG 3.94Å; L354-L380 HydrophobicContact CD1-CD2 4.27Å; V361-L380 HydrophobicContact CG2-CD1 4.36Å; V361-L380 HydrophobicContact CG2-CD2 3.9Å; F378-L380 HydrophobicContact CB-CD1 3.89Å; L380-V382 HydrophobicContact CB-CG2 4.24Å |
| 381 | D | 94.6 | Very high | 93.4 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.5 | 167.4 | -62 | -36.1 | 0 | 0 | 0 | 108.5 | R308 V339 S340 | R308-D381 WeakPolarHBondContact CD-OD1 3.21Å; R308-D381 VanDerWaalsContact CG-OD1 3.26Å; R308-D381 WeakPolarHBondContact CG-OD1 3.47Å; V339-D381 HydrophobicContact CG2-CB 3.86Å; V339-D381 WeakPolarHBondContact CG2-O 3.42Å; V339-D381 PolarHBondContact N-O 2.83Å; S340-D381 PolarHBondContact O-N 2.76Å; S340-D381 VanDerWaalsContact OG-CB 3.28Å; S340-D381 WeakPolarHBondContact OG-CB 3.36Å; S340-D381 PolarHBondContact OG-OD2 2.78Å |
| 382 | V | 93.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | trans | -130 | 97 | 178.4 | -176 | 0 | 0 | 0 | 0 | 107.2 | L309 P335 A338 L380 G384 L385 | L309-V382 HydrophobicContact CB-CG2 4.21Å; P335-V382 HydrophobicContact CB-CG1 4.28Å; A338-V382 HydrophobicContact CB-CG2 4.18Å; L380-V382 HydrophobicContact CB-CG2 4.24Å; V382-G384 PolarHBondContact O-N 2.83Å; V382-L385 HydrophobicContact CB-CB 4.18Å; V382-L385 HydrophobicContact CB-CD1 3.98Å; V382-L385 HydrophobicContact CG1-CB 4.31Å; V382-L385 HydrophobicContact CG1-CD1 3.89Å; V382-L385 HydrophobicContact CG2-CD1 4.34Å; V382-L385 WeakPolarHBondContact O-CB 3.32Å; V382-L385 PolarHBondContact O-N 2.91Å; V382-L385 VanDerWaalsContact O-N 3.12Å | ||
| 383 | P | 91 | Very high | 93.1 | Very high | 96 Ų | 96 | 48.4 Ų | 48.4 | 62% | 0.623 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 127.5 | 178.1 | -25.7 | 36.2 | 0 | 0 | 0 | 110.9 | G337 V339 | G337-P383 WeakPolarHBondContact O-CD 3.46Å; V339-P383 HydrophobicContact CG1-CG 4.37Å; V339-P383 HydrophobicContact CG2-CG 4.42Å |
| 384 | G | 87.1 | Confident | 92.9 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 75% | 0.753 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 27.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V382 S386 | V382-G384 PolarHBondContact O-N 2.83Å; G384-S386 PolarHBondContact O-N 3.05Å |
| 385 | L | 90.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | trans | -49.2 | 110.6 | 177.4 | -174 | 66.4 | 0 | 0 | 0 | 111.7 | R303 G307 L309 V382 M390 | R303-L385 HydrophobicContact CB-CD2 4.39Å; R303-L385 HydrophobicContact CG-CD2 3.97Å; R303-L385 PolarHBondContact NH1-O 2.92Å; G307-L385 WeakPolarHBondContact O-CD2 3.44Å; L309-L385 HydrophobicContact CB-CD1 4.44Å; L309-L385 HydrophobicContact CB-CD2 3.96Å; V382-L385 HydrophobicContact CB-CB 4.18Å; V382-L385 HydrophobicContact CB-CD1 3.98Å; V382-L385 HydrophobicContact CG1-CB 4.31Å; V382-L385 HydrophobicContact CG1-CD1 3.89Å; V382-L385 HydrophobicContact CG2-CD1 4.34Å; V382-L385 WeakPolarHBondContact O-CB 3.32Å; V382-L385 PolarHBondContact O-N 2.91Å; V382-L385 VanDerWaalsContact O-N 3.12Å; L385-M390 HydrophobicContact CD1-SD 4.01Å; L385-M390 HydrophobicContact CD2-SD 4.09Å; L385-M390 HydrophobicContact CG-SD 4.24Å | ||
| 386 | S | 90.1 | Very high | 92.9 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 36% | 0.357 | 29% | 0.287 | S | S | . | . | trans | -108.2 | 165.5 | -179.2 | 74.1 | 0 | 0 | 0 | 0 | 111 | G384 A388 S389 M390 | G384-S386 PolarHBondContact O-N 3.05Å; S386-A388 PolarHBondContact O-N 2.86Å; S386-A388 PolarHBondContact OG-N 2.89Å; S386-S389 PolarHBondContact N-OG 2.73Å; S386-S389 WeakPolarHBondContact O-CB 3.42Å; S386-S389 PolarHBondContact O-N 3.11Å; S386-S389 VanDerWaalsContact O-N 3.09Å; S386-S389 PolarHBondContact OG-N 2.8Å; S386-S389 VanDerWaalsContact OG-N 3.11Å; S386-S389 PolarHBondContact OG-OG 2.82Å; S386-M390 PolarHBondContact O-N 3.34Å | ||
| 387 | S | 88.9 | Confident | 92.9 | Very high | 107 Ų | 107 | 45.6 Ų | 45.6 | 75% | 0.748 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.7 | -31.5 | 172.4 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | M390 | S387-M390 PolarHBondContact O-N 2.83Å |
| 388 | A | 89.4 | Confident | 92.9 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 54% | 0.537 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S386 M390 L391 | S386-A388 PolarHBondContact O-N 2.86Å; S386-A388 PolarHBondContact OG-N 2.89Å; A388-M390 VanDerWaalsContact C-N 3.27Å; A388-M390 PolarHBondContact O-N 3.33Å; A388-L391 WeakPolarHBondContact O-CB 3.25Å; A388-L391 PolarHBondContact O-N 3.02Å; A388-L391 VanDerWaalsContact O-N 3.14Å |
| 389 | S | 88.6 | Confident | 92.9 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 16% | 0.161 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 175.7 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | P335 S386 L391 E392 | P335-S389 VanDerWaalsContact CG-O 3.27Å; P335-S389 WeakPolarHBondContact CG-O 3.28Å; S386-S389 PolarHBondContact N-OG 2.73Å; S386-S389 WeakPolarHBondContact O-CB 3.42Å; S386-S389 PolarHBondContact O-N 3.11Å; S386-S389 VanDerWaalsContact O-N 3.09Å; S386-S389 PolarHBondContact OG-N 2.8Å; S386-S389 VanDerWaalsContact OG-N 3.11Å; S386-S389 PolarHBondContact OG-OG 2.82Å; S389-L391 PolarHBondContact O-N 3.23Å; S389-E392 WeakPolarHBondContact O-CB 3.1Å; S389-E392 PolarHBondContact O-N 3.35Å; S389-E392 VanDerWaalsContact O-N 3.07Å |
| 390 | M | 89.1 | Confident | 92.9 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 23% | 0.232 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -28.7 | 177.2 | -62.6 | -70.1 | -73.7 | 0 | 0 | 112.8 | V301 L309 L385 S386 S387 A388 E392 V393 | V301-M390 HydrophobicContact CG1-CE 3.72Å; L309-M390 HydrophobicContact CD1-CE 3.87Å; L309-M390 HydrophobicContact CD1-SD 3.58Å; L309-M390 VanDerWaalsContact CD1-SD 3.58Å; L385-M390 HydrophobicContact CD1-SD 4.01Å; L385-M390 HydrophobicContact CD2-SD 4.09Å; L385-M390 HydrophobicContact CG-SD 4.24Å; S386-M390 PolarHBondContact O-N 3.34Å; S387-M390 PolarHBondContact O-N 2.83Å; A388-M390 VanDerWaalsContact C-N 3.27Å; A388-M390 PolarHBondContact O-N 3.33Å; M390-E392 PolarHBondContact O-N 3.38Å; M390-V393 WeakPolarHBondContact O-CB 3.4Å; M390-V393 PolarHBondContact O-N 3.29Å |
| 391 | L | 90.2 | Very high | 93 | Very high | 152 Ų | 152 | 47.9 Ų | 47.9 | 80% | 0.796 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.8 | 177.5 | -59.5 | 175 | 0 | 0 | 0 | 113.1 | A388 S389 V393 | A388-L391 WeakPolarHBondContact O-CB 3.25Å; A388-L391 PolarHBondContact O-N 3.02Å; A388-L391 VanDerWaalsContact O-N 3.14Å; S389-L391 PolarHBondContact O-N 3.23Å; L391-V393 VanDerWaalsContact C-N 3.28Å |
| 392 | E | 91.2 | Very high | 93.1 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 36% | 0.36 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.1 | 175.3 | -57.2 | -175.6 | 176.2 | 0 | 0 | 112.6 | P335 R336 S389 M390 | P335-E392 WeakPolarHBondContact CA-OE2 3.36Å; P335-E392 HydrophobicContact CB-CB 4.39Å; R336-E392 WeakPolarHBondContact CG-OE2 3.34Å; R336-E392 PolarHBondContact N-OE2 3.49Å; S389-E392 WeakPolarHBondContact O-CB 3.1Å; S389-E392 PolarHBondContact O-N 3.35Å; S389-E392 VanDerWaalsContact O-N 3.07Å; M390-E392 PolarHBondContact O-N 3.38Å |
| 393 | V | 94.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 9% | 0.085 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -78.6 | 127.8 | -179.7 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | V301 L309 M311 P333 P335 M390 L391 I442 | V301-V393 HydrophobicContact CG1-CB 4.5Å; V301-V393 HydrophobicContact CG1-CG1 4.17Å; V301-V393 HydrophobicContact CG1-CG2 4.37Å; V301-V393 HydrophobicContact CG2-CG1 4.18Å; L309-V393 HydrophobicContact CD1-CG2 4.27Å; L309-V393 HydrophobicContact CD2-CG2 3.83Å; M311-V393 HydrophobicContact SD-CG1 3.69Å; P333-V393 WeakPolarHBondContact O-CA 3.27Å; P335-V393 HydrophobicContact CG-CG2 4.01Å; M390-V393 WeakPolarHBondContact O-CB 3.4Å; M390-V393 PolarHBondContact O-N 3.29Å; L391-V393 VanDerWaalsContact C-N 3.28Å; V393-I442 HydrophobicContact CG1-CD1 3.69Å |
| 394 | G | 92.3 | Very high | 93.2 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | trans | 81.3 | -173.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P333 | P333-G394 PolarHBondContact O-N 3.02Š| ||
| 395 | P | 95.6 | Very high | 93.5 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | cis | -67.6 | 159.7 | -6 | 33.2 | -38.1 | 0 | 0 | 0 | 112 | P333 I439 I440 R441 | P333-P395 WeakPolarHBondContact CD-O 3.16Å; P395-I439 HydrophobicContact CB-CG2 3.59Å; P395-I439 HydrophobicContact CG-CG2 3.74Å; P395-I440 WeakPolarHBondContact CB-O 3.47Å; P395-R441 HydrophobicContact CB-CG 4.31Å |
| 396 | V | 97.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123 | 177.4 | 178.6 | 0 | 0 | 0 | 0 | 110 | L297 A330 S331 I332 L398 I439 I440 I442 | L297-V396 HydrophobicContact CD2-CB 3.84Å; L297-V396 HydrophobicContact CD2-CG1 4.02Å; L297-V396 HydrophobicContact CD2-CG2 3.66Å; A330-V396 HydrophobicContact CB-CG1 4.09Å; S331-V396 WeakPolarHBondContact O-CA 3.41Å; I332-V396 HydrophobicContact CB-CG2 4.41Å; I332-V396 HydrophobicContact CG1-CB 4.44Å; I332-V396 HydrophobicContact CG1-CG1 4.04Å; I332-V396 HydrophobicContact CG1-CG2 3.75Å; I332-V396 HydrophobicContact CG2-CG2 4.2Å; V396-L398 HydrophobicContact CG1-CD2 4.05Å; V396-I439 WeakPolarHBondContact O-CA 3.26Å; V396-I440 PolarHBondContact N-O 3.38Å; V396-I440 PolarHBondContact O-N 2.81Å; V396-I442 HydrophobicContact CG2-CD1 3.77Å; V396-I442 HydrophobicContact CG2-CG1 4.35Å; V396-I442 HydrophobicContact CG2-CG2 3.78Å |
| 397 | G | 97.8 | Very high | 93.7 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 134.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | A330 S331 Y438 | A330-G397 CarbonylContact C-O 3.56Å; A330-G397 WeakPolarHBondContact CA-O 3.33Å; S331-G397 PolarHBondContact N-O 3.15Å; S331-G397 PolarHBondContact O-N 3.1Å; G397-Y438 CarbonylContact C-O 3.56Å; G397-Y438 WeakPolarHBondContact CA-O 3.03Å |
| 398 | L | 97.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.6 | 172.1 | -57.1 | -176 | 0 | 0 | 0 | 110.6 | F295 L315 S329 A330 V396 F400 Y438 I440 | F295-L398 HydrophobicContact CB-CD1 3.83Å; F295-L398 HydrophobicContact CD2-CD1 4.28Å; F295-L398 HydrophobicContact CG-CD1 4.19Å; L315-L398 HydrophobicContact CD1-CD1 4.08Å; S329-L398 WeakPolarHBondContact O-CA 3.33Å; A330-L398 HydrophobicContact CB-CD2 3.5Å; A330-L398 VanDerWaalsContact CB-CD2 3.5Å; V396-L398 HydrophobicContact CG1-CD2 4.05Å; L398-F400 HydrophobicContact CB-CD1 4.12Å; L398-F400 HydrophobicContact CB-CE1 4.35Å; L398-Y438 HydrophobicContact CB-CD1 3.89Å; L398-Y438 HydrophobicContact CB-CG 4.25Å; L398-Y438 HydrophobicContact CD1-CD1 3.68Å; L398-Y438 HydrophobicContact CD1-CE1 3.77Å; L398-Y438 HydrophobicContact CG-CD1 3.95Å; L398-Y438 PolarHBondContact N-O 3.47Å; L398-Y438 WeakPolarHBondContact O-CB 3.2Å; L398-I440 HydrophobicContact CD1-CD1 4Å |
| 399 | S | 97.8 | Very high | 93.9 | Very high | 61 Ų | 61 | 40 Ų | 40 | 43% | 0.427 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.1 | 167.1 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | L328 S329 S435 | L328-S399 CarbonylContact C-O 3.56Å; L328-S399 WeakPolarHBondContact CA-O 3.45Å; S329-S399 PolarHBondContact N-O 3.37Å; S329-S399 PolarHBondContact O-N 3.08Å; S399-S435 VanDerWaalsContact CA-OG 3.23Å; S399-S435 WeakPolarHBondContact CA-OG 3.42Å |
| 400 | F | 97.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 165.7 | -177.6 | 57.6 | -101.4 | 0 | 0 | 0 | 113.4 | P294 F295 L328 L398 L402 S435 Y438 | P294-F400 HydrophobicContact CG-CE2 4.41Å; P294-F400 HydrophobicContact CG-CZ 4.05Å; F295-F400 AromaticContact CD2-CD1 3.83Å; F295-F400 HydrophobicContact CD2-CD1 3.83Å; F295-F400 AromaticContact CD2-CE1 3.66Å; F295-F400 HydrophobicContact CD2-CE1 3.66Å; F295-F400 HydrophobicContact CD2-CG 4.42Å; F295-F400 HydrophobicContact CD2-CZ 4.11Å; F295-F400 HydrophobicContact CE2-CB 4.27Å; F295-F400 AromaticContact CE2-CD1 3.46Å; F295-F400 HydrophobicContact CE2-CD1 3.46Å; F295-F400 VanDerWaalsContact CE2-CD1 3.46Å; F295-F400 AromaticContact CE2-CD2 3.86Å; F295-F400 HydrophobicContact CE2-CD2 3.86Å; F295-F400 AromaticContact CE2-CE1 3.59Å; F295-F400 HydrophobicContact CE2-CE1 3.59Å; F295-F400 AromaticContact CE2-CE2 3.99Å; F295-F400 HydrophobicContact CE2-CE2 3.99Å; F295-F400 AromaticContact CE2-CG 3.59Å; F295-F400 HydrophobicContact CE2-CG 3.59Å; F295-F400 AromaticContact CE2-CZ 3.87Å; F295-F400 HydrophobicContact CE2-CZ 3.87Å; F295-F400 HydrophobicContact CZ-CD1 4.46Å; F295-F400 HydrophobicContact CZ-CG 4.31Å; L328-F400 HydrophobicContact CB-CB 4.11Å; L328-F400 HydrophobicContact CD1-CB 3.98Å; L328-F400 HydrophobicContact CG-CB 4.07Å; L398-F400 HydrophobicContact CB-CD1 4.12Å; L398-F400 HydrophobicContact CB-CE1 4.35Å; F400-L402 HydrophobicContact CD2-CD1 4.18Å; F400-L402 HydrophobicContact CD2-CD2 3.78Å; F400-L402 HydrophobicContact CD2-CG 3.65Å; F400-L402 HydrophobicContact CE2-CD1 3.77Å; F400-L402 HydrophobicContact CE2-CD2 4.22Å; F400-L402 HydrophobicContact CE2-CG 3.75Å; F400-S435 PolarHBondContact N-OG 3.35Å; F400-S435 PolarHBondContact O-N 2.98Å; F400-S435 PolarHBondContact O-OG 3.33Å; F400-Y438 HydrophobicContact CE1-CD1 4.47Å; F400-Y438 AromaticContact CE1-CD2 3.58Å; F400-Y438 HydrophobicContact CE1-CD2 3.58Å; F400-Y438 HydrophobicContact CE1-CE2 4.17Å; F400-Y438 AromaticContact CE1-CG 3.75Å; F400-Y438 HydrophobicContact CE1-CG 3.75Å; F400-Y438 AromaticContact CZ-CD2 3.71Å; F400-Y438 HydrophobicContact CZ-CD2 3.71Å; F400-Y438 HydrophobicContact CZ-CE2 4.16Å; F400-Y438 HydrophobicContact CZ-CG 4.34Å |
| 401 | E | 96.9 | Very high | 94.4 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 23% | 0.229 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.9 | 169.7 | 179.5 | -177.8 | 164.1 | 0 | 0 | 110.6 | I326 P403 V432 H434 | I326-E401 HydrophobicContact CD1-CG 4.32Å; I326-E401 HydrophobicContact CG1-CB 3.92Å; I326-E401 HydrophobicContact CG1-CG 4.14Å; I326-E401 PolarHBondContact N-O 3.11Å; I326-E401 PolarHBondContact O-N 3.28Å; I326-E401 VanDerWaalsContact O-N 3.07Å; E401-P403 WeakPolarHBondContact O-CD 3.45Å; E401-V432 HydrophobicContact CG-CG2 3.92Å; E401-H434 IonicContact OE2-CE1 3.85Å |
| 402 | L | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 92.1 | 179.2 | -51.9 | -175 | 0 | 0 | 0 | 109.8 | P294 F295 L319 A325 F400 W405 T433 | P294-L402 HydrophobicContact CB-CD1 3.96Å; P294-L402 HydrophobicContact CG-CD1 4.06Å; F295-L402 HydrophobicContact CE2-CD2 4.23Å; F295-L402 HydrophobicContact CZ-CD2 4.01Å; L319-L402 HydrophobicContact CD1-CD1 4.33Å; L319-L402 HydrophobicContact CD1-CD2 3.66Å; L319-L402 HydrophobicContact CD2-CD1 4.22Å; A325-L402 HydrophobicContact CB-CD2 3.44Å; A325-L402 VanDerWaalsContact CB-CD2 3.44Å; F400-L402 HydrophobicContact CD2-CD1 4.18Å; F400-L402 HydrophobicContact CD2-CD2 3.78Å; F400-L402 HydrophobicContact CD2-CG 3.65Å; F400-L402 HydrophobicContact CE2-CD1 3.77Å; F400-L402 HydrophobicContact CE2-CD2 4.22Å; F400-L402 HydrophobicContact CE2-CG 3.75Å; L402-W405 HydrophobicContact CB-CB 4.15Å; L402-W405 HydrophobicContact CB-CE3 4.23Å; L402-W405 HydrophobicContact CD1-CD2 4.08Å; L402-W405 HydrophobicContact CD1-CE3 3.49Å; L402-W405 VanDerWaalsContact CD1-CE3 3.49Å; L402-W405 HydrophobicContact CD1-CZ3 3.75Å; L402-T433 PolarHBondContact N-O 2.94Å; L402-T433 PolarHBondContact O-N 3.19Å |
| 403 | P | 94.8 | Very high | 94.7 | Very high | 43 Ų | 43 | 38 Ų | 38 | 28% | 0.279 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 144.2 | 176.1 | 29.1 | -35 | 0 | 0 | 0 | 111.2 | T324 I326 E401 W405 | T324-P403 WeakPolarHBondContact O-CD 3.4Å; I326-P403 HydrophobicContact CD1-CG 4.28Å; I326-P403 HydrophobicContact CG1-CG 4.48Å; E401-P403 WeakPolarHBondContact O-CD 3.45Å; P403-W405 PolarHBondContact O-N 2.9Å |
| 404 | K | 91.9 | Very high | 94.6 | Very high | 187 Ų | 187 | 39.8 Ų | 39.8 | 81% | 0.813 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 25.8 | 177.2 | -52.6 | 177.5 | -178.3 | 176.9 | 0 | 113.8 | Y431 | K404-Y431 PolarHBondContact N-O 3.26Š|
| 405 | W | 93.3 | Very high | 94.6 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | trans | -134.9 | 140.9 | -179.7 | -171.2 | 85.9 | 0 | 0 | 0 | 110.7 | M194 L319 L402 P403 G407 T433 | M194-W405 HydrophobicContact CE-CH2 3.81Å; M194-W405 HydrophobicContact CE-CZ3 3.96Å; L319-W405 HydrophobicContact CD2-CD2 4.15Å; L319-W405 HydrophobicContact CD2-CG 4.28Å; L319-W405 HydrophobicContact CD2-CZ2 4.28Å; L402-W405 HydrophobicContact CB-CB 4.15Å; L402-W405 HydrophobicContact CB-CE3 4.23Å; L402-W405 HydrophobicContact CD1-CD2 4.08Å; L402-W405 HydrophobicContact CD1-CE3 3.49Å; L402-W405 VanDerWaalsContact CD1-CE3 3.49Å; L402-W405 HydrophobicContact CD1-CZ3 3.75Å; P403-W405 PolarHBondContact O-N 2.9Å; W405-G407 VanDerWaalsContact CZ3-CA 3.41Å; W405-G407 VanDerWaalsContact CZ3-N 3.27Å; W405-T433 HydrophobicContact CE3-CG2 4.19Å; W405-T433 HydrophobicContact CZ3-CG2 3.95Å; W405-T433 PolarHBondContact O-OG1 2.9Å | ||
| 406 | T | 93.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | trans | -127.6 | 134.2 | 171.3 | 49.3 | 0 | 0 | 0 | 0 | 108.2 | V190 L410 Y431 | V190-T406 HydrophobicContact CG1-CG2 3.91Å; T406-L410 PolarHBondContact OG1-O 3.11Å; T406-Y431 HydrophobicContact CG2-CD1 3.71Å; T406-Y431 HydrophobicContact CG2-CG 4.37Å | ||
| 407 | G | 91.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -76.6 | -28.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E192 I209 P290 W405 G409 | E192-G407 WeakPolarHBondContact OE2-CA 3.39Å; E192-G407 PolarHBondContact OE2-N 3.09Å; I209-G407 VanDerWaalsContact CD1-C 3.49Å; P290-G407 WeakPolarHBondContact CD-O 3.43Å; W405-G407 VanDerWaalsContact CZ3-CA 3.41Å; W405-G407 VanDerWaalsContact CZ3-N 3.27Å; G407-G409 VanDerWaalsContact C-N 3.31Å |
| 408 | T | 92.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -77.6 | -17.6 | 172.9 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | E192 I209 Y283 L285 L410 | E192-T408 WeakPolarHBondContact OE1-CB 3.47Å; E192-T408 WeakPolarHBondContact OE1-CG2 3.2Å; E192-T408 PolarHBondContact OE1-N 3.18Å; E192-T408 PolarHBondContact OE1-OG1 2.87Å; E192-T408 PolarHBondContact OE2-N 3.44Å; I209-T408 HydrophobicContact CB-CG2 4.18Å; I209-T408 HydrophobicContact CD1-CG2 4Å; I209-T408 HydrophobicContact CG2-CG2 3.89Å; Y283-T408 HydrophobicContact CD2-CG2 4.33Å; Y283-T408 HydrophobicContact CE2-CG2 3.82Å; L285-T408 HydrophobicContact CB-CG2 4.21Å; L285-T408 HydrophobicContact CD2-CG2 4.01Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 WeakPolarHBondContact OG1-CB 3.32Å; T408-L410 PolarHBondContact OG1-N 2.81Å |
| 409 | G | 91.6 | Very high | 91.8 | Very high | 26 Ų | 26 | 48.9 Ų | 48.9 | 27% | 0.268 | 24% | 0.243 | S | C | . | . | trans | 77.8 | 9.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N230 V247 G407 Q411 | N230-G409 PolarHBondContact ND2-O 2.96Å; V247-G409 VanDerWaalsContact CG2-C 3.47Å; V247-G409 VanDerWaalsContact CG2-O 3.26Å; V247-G409 WeakPolarHBondContact CG2-O 3.38Å; G407-G409 VanDerWaalsContact C-N 3.31Å; G409-Q411 PolarHBondContact O-N 3.17Å | ||
| 410 | L | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -57.2 | 131.6 | 174.3 | -172.9 | 70.6 | 0 | 0 | 0 | 110.8 | V190 V213 L229 F233 V247 Y283 T406 T408 | V190-L410 HydrophobicContact CG1-CD2 3.98Å; V213-L410 HydrophobicContact CG2-CD2 3.98Å; L229-L410 HydrophobicContact CB-CD1 4.43Å; L229-L410 HydrophobicContact CD2-CD1 4.4Å; F233-L410 HydrophobicContact CD2-CD1 3.8Å; F233-L410 HydrophobicContact CE2-CD1 3.9Å; V247-L410 HydrophobicContact CG1-CB 4.23Å; V247-L410 HydrophobicContact CG1-CD1 4.21Å; Y283-L410 HydrophobicContact CD1-CD2 4.31Å; Y283-L410 HydrophobicContact CE1-CD2 3.47Å; Y283-L410 VanDerWaalsContact CE1-CD2 3.47Å; Y283-L410 HydrophobicContact CE2-CD2 4.36Å; Y283-L410 VanDerWaalsContact CZ-CD2 3.49Å; Y283-L410 WeakPolarHBondContact OH-CD2 3.49Å; T406-L410 PolarHBondContact OG1-O 3.11Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 WeakPolarHBondContact OG1-CB 3.32Å; T408-L410 PolarHBondContact OG1-N 2.81Å | ||
| 411 | Q | 93.6 | Very high | 88.6 | Confident | 116 Ų | 116 | 53.4 Ų | 53.4 | 54% | 0.542 | 27% | 0.265 | S | S | . | . | trans | -136.6 | 138.3 | -179.8 | -69.8 | 178.6 | 2 | 0 | 0 | 110.6 | N230 G409 | N230-Q411 PolarHBondContact N-O 2.86Å; N230-Q411 PolarHBondContact OD1-N 2.85Å; N230-Q411 PolarHBondContact OD1-O 3.33Å; N230-Q411 VanDerWaalsContact OD1-O 3.1Å; G409-Q411 PolarHBondContact O-N 3.17Å | ||
| 412 | I | 94.4 | Very high | 86.6 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | trans | -87.1 | 109.7 | 170 | -57.2 | -173.3 | 0 | 0 | 0 | 108 | V188 V190 I227 G228 V429 Y431 | V188-I412 HydrophobicContact CB-CD1 3.97Å; V188-I412 HydrophobicContact CG1-CD1 3.3Å; V190-I412 HydrophobicContact CG2-CD1 3.74Å; V190-I412 HydrophobicContact CG2-CG1 3.94Å; I227-I412 HydrophobicContact CG2-CD1 4.18Å; I227-I412 HydrophobicContact CG2-CG1 4.37Å; I227-I412 HydrophobicContact CG2-CG2 3.91Å; G228-I412 CarbonylContact O-C 3.49Å; I412-V429 HydrophobicContact CB-CG1 4.2Å; I412-V429 HydrophobicContact CD1-CG1 3.89Å; I412-V429 HydrophobicContact CG1-CG1 4.32Å; I412-V429 HydrophobicContact CG2-CG2 4.45Å; I412-Y431 PolarHBondContact N-OH 3.28Å | ||
| 413 | R | 93.8 | Very high | 84.9 | Confident | 122 Ų | 122 | 59.8 Ų | 59.8 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | trans | -71.9 | -40.9 | 179.1 | -66 | 175.1 | 64.1 | -157.3 | 6.4 | 112.1 | G228 L229 E231 | G228-R413 PolarHBondContact O-N 3.46Å; L229-R413 WeakPolarHBondContact O-CD 3.27Å; E231-R413 VanDerWaalsContact CD-CZ 3.47Å; E231-R413 VanDerWaalsContact CD-NH1 3.3Å; E231-R413 VanDerWaalsContact CD-NH2 3.34Å; E231-R413 IonicContact OE1-CZ 3.17Å; E231-R413 IonicContact OE1-NH1 3.37Å; E231-R413 PolarHBondContact OE1-NH1 3.39Å; E231-R413 IonicContact OE1-NH2 2.75Å; E231-R413 PolarHBondContact OE1-NH2 3.48Å | ||
| 414 | F | 93.3 | Very high | 83.1 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 156.1 | 178.6 | 64.4 | -98.6 | 0 | 0 | 0 | 112.2 | R226 G228 I268 R416 | R226-F414 HydrophobicContact CB-CE2 4.35Å; G228-F414 PolarHBondContact N-O 2.85Å; I268-F414 HydrophobicContact CD1-CZ 3.84Å; I268-F414 HydrophobicContact CG1-CZ 3.9Å; F414-R416 HydrophobicContact CD2-CG 3.85Å; F414-R416 HydrophobicContact CE2-CG 4.27Å |
| 415 | L | 91.8 | Very high | 81.9 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 115.8 | 169.9 | 178.7 | 65.3 | 0 | 0 | 0 | 108.9 | I186 V188 M225 I227 L417 R427 | I186-L415 HydrophobicContact CG2-CD2 4.21Å; V188-L415 HydrophobicContact CG2-CD1 4.13Å; V188-L415 HydrophobicContact CG2-CD2 3.82Å; M225-L415 HydrophobicContact CG-CD1 3.65Å; M225-L415 HydrophobicContact SD-CD1 3.69Å; I227-L415 HydrophobicContact CG1-CD1 3.85Å; L415-L417 HydrophobicContact CD1-CD2 4.47Å; L415-L417 HydrophobicContact CG-CD2 4.49Å; L415-R427 HydrophobicContact CD2-CB 4.09Å; L415-R427 HydrophobicContact CD2-CG 4.15Å; L415-R427 PolarHBondContact O-NH1 2.87Å |
| 416 | R | 90 | Very high | 81.2 | Confident | 155 Ų | 155 | 57.2 Ų | 57.2 | 59% | 0.585 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 139.6 | 177.6 | -68.8 | 177.1 | -177.2 | 178.9 | 1.6 | 110.3 | M225 R226 F414 | M225-R416 CarbonylContact C-O 3.52Å; M225-R416 WeakPolarHBondContact CA-O 3.44Å; R226-R416 HydrophobicContact CB-CB 4.29Å; R226-R416 PolarHBondContact N-O 2.83Å; R226-R416 PolarHBondContact O-N 2.84Å; F414-R416 HydrophobicContact CD2-CG 3.85Å; F414-R416 HydrophobicContact CE2-CG 4.27Å |
| 417 | L | 87.6 | Confident | 80.8 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.3 | -178.4 | -54.6 | 172.9 | 0 | 0 | 0 | 109.1 | I186 M219 E224 M225 L415 R427 | I186-L417 HydrophobicContact CD1-CD1 3.52Å; I186-L417 HydrophobicContact CD1-CD2 3.33Å; I186-L417 HydrophobicContact CD1-CG 4.04Å; M219-L417 HydrophobicContact CE-CD1 4.06Å; M219-L417 HydrophobicContact CE-CD2 4.47Å; M219-L417 HydrophobicContact SD-CD1 4.12Å; E224-L417 CarbonylContact O-C 3.52Å; M225-L417 HydrophobicContact CB-CD2 4.02Å; M225-L417 HydrophobicContact CG-CD2 3.71Å; M225-L417 HydrophobicContact SD-CD2 4.03Å; L415-L417 HydrophobicContact CD1-CD2 4.47Å; L415-L417 HydrophobicContact CG-CD2 4.49Å; L417-R427 HydrophobicContact CD1-CG 4.14Å |
| 418 | S | 82.1 | Confident | 80.7 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 139.4 | 174.4 | -164.4 | 0 | 0 | 0 | 0 | 109.7 | S223 E224 | S223-S418 PolarHBondContact N-O 2.89Å; S223-S418 VanDerWaalsContact OG-C 3.3Å; S223-S418 PolarHBondContact OG-O 2.85Å; E224-S418 PolarHBondContact N-O 3.01Å; E224-S418 PolarHBondContact O-N 2.86Å |
| 419 | P | 70.7 | Confident | 80.7 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 41% | 0.409 | 36% | 0.36 | S | S | . | . | S | Bend | cis | -63.8 | 157.3 | -9.5 | 30.5 | -35.3 | 0 | 0 | 0 | 111.2 | S223 H421 | S223-P419 VanDerWaalsContact OG-CD 3.32Å; S223-P419 WeakPolarHBondContact OG-CD 3.29Å; P419-H421 PolarHBondContact O-N 3.04Å |
| 420 | V | 65.6 | Low | 80.7 | Confident | 120 Ų | 120 | 70.6 Ų | 70.6 | 73% | 0.727 | 37% | 0.367 | S | S | * | . | trans | -67.9 | 101.9 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 421 | H | 62.4 | Low | 80.9 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 19% | 0.19 | 38% | 0.377 | C | S | . | . | trans | -59.3 | 131.8 | 178 | -77.3 | -61.2 | 0 | 0 | 0 | 110.3 | S221 P419 G423 | S221-H421 PolarHBondContact O-CE1 2.83Å; S221-H421 PolarHBondContact O-NE2 3.05Å; P419-H421 PolarHBondContact O-N 3.04Å; H421-G423 PolarHBondContact O-N 3.36Å | ||
| 422 | P | 54.8 | Low | 81 | Confident | 142 Ų | 142 | 67.8 Ų | 67.8 | 92% | 0.922 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -70.6 | -9.4 | 179.3 | 25.8 | -31.7 | 0 | 0 | 0 | 113.3 | ||
| 423 | G | 61.5 | Low | 81.1 | Confident | 41 Ų | 41 | 66.9 Ų | 66.9 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -94.9 | 166.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H421 S425 | H421-G423 PolarHBondContact O-N 3.36Å; G423-S425 PolarHBondContact O-N 2.84Å |
| 424 | P | 55.9 | Low | 81.2 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 81% | 0.812 | 34% | 0.341 | S | S | * | . | trans | -68.8 | 90.3 | 177.3 | 29.3 | -33.9 | 0 | 0 | 0 | 110.5 | Q426 | P424-Q426 PolarHBondContact O-N 3.37Š| ||
| 425 | S | 65.9 | Low | 81.3 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | trans | -72.1 | 114.8 | 166.4 | 52 | 0 | 0 | 0 | 0 | 108.9 | S184 G423 | S184-S425 WeakPolarHBondContact O-CA 3.42Å; G423-S425 PolarHBondContact O-N 2.84Å | ||
| 426 | Q | 78.9 | Confident | 81.4 | Confident | 55 Ų | 55 | 66.7 Ų | 66.7 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128 | 175.9 | -62.7 | -167.9 | -17 | 0 | 0 | 109.6 | S184 E185 I186 P424 | S184-Q426 PolarHBondContact O-N 3.35Å; S184-Q426 VanDerWaalsContact O-N 3.13Å; E185-Q426 WeakPolarHBondContact CA-O 3.38Å; E185-Q426 HydrophobicContact CG-CB 4.26Å; I186-Q426 PolarHBondContact N-O 3.02Å; P424-Q426 PolarHBondContact O-N 3.37Å |
| 427 | R | 85.6 | Confident | 81.6 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 42% | 0.415 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.5 | -178.9 | -63.5 | 178.2 | -158.3 | 172.4 | 8.2 | 108.6 | L415 L417 | L415-R427 HydrophobicContact CD2-CB 4.09Å; L415-R427 HydrophobicContact CD2-CG 4.15Å; L415-R427 PolarHBondContact O-NH1 2.87Å; L417-R427 HydrophobicContact CD1-CG 4.14Å |
| 428 | W | 89.1 | Confident | 82.1 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.3 | -178.1 | -59.1 | 97.2 | 0 | 0 | 0 | 109.3 | A165 I186 F187 V188 | A165-W428 HydrophobicContact CB-CD2 3.87Å; A165-W428 HydrophobicContact CB-CE3 3.96Å; A165-W428 HydrophobicContact CB-CG 4.2Å; A165-W428 HydrophobicContact CB-CZ3 4.42Å; I186-W428 PolarHBondContact O-N 2.92Å; F187-W428 CarbonylContact C-O 3.52Å; F187-W428 WeakPolarHBondContact CA-O 3.24Å; F187-W428 HydrophobicContact CB-CB 4.45Å; F187-W428 HydrophobicContact CD1-CB 3.42Å; F187-W428 VanDerWaalsContact CD1-CB 3.42Å; F187-W428 AromaticContact CD1-CD1 3.56Å; F187-W428 AromaticContact CD1-CG 3.61Å; F187-W428 HydrophobicContact CD1-CG 3.61Å; F187-W428 HydrophobicContact CE1-CB 3.88Å; F187-W428 AromaticContact CE1-CD1 3.14Å; F187-W428 HydrophobicContact CE1-CD2 4.29Å; F187-W428 AromaticContact CE1-CG 3.5Å; F187-W428 HydrophobicContact CE1-CG 3.5Å; F187-W428 AromaticContact CE1-NE1 3.72Å; F187-W428 HydrophobicContact CG-CB 4.21Å; F187-W428 AromaticContact CZ-CD1 3.68Å; F187-W428 HydrophobicContact CZ-CG 4.44Å; V188-W428 PolarHBondContact N-O 2.98Å |
| 429 | V | 91.9 | Very high | 82.8 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.2 | 169.1 | -179.9 | 0 | 0 | 0 | 0 | 108 | V188 I412 Y431 | V188-V429 HydrophobicContact CB-CG2 4.45Å; V188-V429 VanDerWaalsContact O-CA 3.29Å; V188-V429 WeakPolarHBondContact O-CA 3.43Å; I412-V429 HydrophobicContact CB-CG1 4.2Å; I412-V429 HydrophobicContact CD1-CG1 3.89Å; I412-V429 HydrophobicContact CG1-CG1 4.32Å; I412-V429 HydrophobicContact CG2-CG2 4.45Å; V429-Y431 HydrophobicContact CG1-CD2 4.35Å; V429-Y431 HydrophobicContact CG1-CE1 4.4Å; V429-Y431 HydrophobicContact CG1-CE2 3.6Å |
| 430 | R | 93.4 | Very high | 84.1 | Confident | 111 Ų | 111 | 58.5 Ų | 58.5 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.7 | 178.3 | 179.3 | 176 | 67.6 | 143.2 | 5.7 | 109.2 | V188 D189 V190 | V188-R430 PolarHBondContact O-N 2.81Å; D189-R430 CarbonylContact C-O 3.58Å; D189-R430 WeakPolarHBondContact CA-O 3.45Å; D189-R430 VanDerWaalsContact CG-NH2 3.27Å; D189-R430 WeakPolarHBondContact OD1-CB 3.2Å; D189-R430 IonicContact OD1-CZ 2.8Å; D189-R430 IonicContact OD1-NE 3.32Å; D189-R430 PolarHBondContact OD1-NE 3.12Å; D189-R430 IonicContact OD1-NH2 3.48Å; D189-R430 PolarHBondContact OD1-NH2 2.8Å; D189-R430 IonicContact OD2-CZ 3.99Å; D189-R430 IonicContact OD2-NE 3.91Å; D189-R430 IonicContact OD2-NH2 3.8Å; D189-R430 PolarHBondContact OD2-NH2 2.94Å; V190-R430 PolarHBondContact N-O 2.95Å |
| 431 | Y | 95.6 | Very high | 85.5 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 20% | 0.204 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.2 | 172.2 | -55.2 | -91.6 | 0 | 0 | 0 | 107.8 | V190 K404 T406 I412 V429 | V190-Y431 HydrophobicContact CB-CD1 3.65Å; V190-Y431 HydrophobicContact CB-CE1 4.08Å; V190-Y431 HydrophobicContact CG1-CD1 4.17Å; V190-Y431 HydrophobicContact CG2-CD1 3.86Å; V190-Y431 HydrophobicContact CG2-CE1 3.75Å; V190-Y431 WeakPolarHBondContact O-CA 3.48Å; K404-Y431 PolarHBondContact N-O 3.26Å; T406-Y431 HydrophobicContact CG2-CD1 3.71Å; T406-Y431 HydrophobicContact CG2-CG 4.37Å; I412-Y431 PolarHBondContact N-OH 3.28Å; V429-Y431 HydrophobicContact CG1-CD2 4.35Å; V429-Y431 HydrophobicContact CG1-CE1 4.4Å; V429-Y431 HydrophobicContact CG1-CE2 3.6Å |
| 432 | V | 95.8 | Very high | 86.8 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 135 | 175.8 | 105.6 | 0 | 0 | 0 | 0 | 109.1 | V190 I191 E192 E401 H434 | V190-V432 PolarHBondContact O-N 3.01Å; I191-V432 WeakPolarHBondContact CA-O 3.4Å; I191-V432 HydrophobicContact CG1-CG1 4.37Å; I191-V432 HydrophobicContact CG2-CG1 4.15Å; E192-V432 PolarHBondContact N-O 2.83Å; E401-V432 HydrophobicContact CG-CG2 3.92Å; V432-H434 WeakPolarHBondContact CG1-NE2 3.49Å |
| 433 | T | 96.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.2 | 168.7 | -55 | 0 | 0 | 0 | 0 | 109.7 | E192 M194 L402 W405 | E192-T433 HydrophobicContact CB-CG2 3.94Å; E192-T433 CarbonylContact O-C 3.54Å; E192-T433 VanDerWaalsContact O-CA 3.31Å; E192-T433 WeakPolarHBondContact O-CA 3.47Å; M194-T433 HydrophobicContact CB-CG2 4.2Å; L402-T433 PolarHBondContact N-O 2.94Å; L402-T433 PolarHBondContact O-N 3.19Å; W405-T433 HydrophobicContact CE3-CG2 4.19Å; W405-T433 HydrophobicContact CZ3-CG2 3.95Å; W405-T433 PolarHBondContact O-OG1 2.9Å |
| 434 | H | 96 | Very high | 89.9 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 150 | 173.6 | -64.2 | -73.5 | 0 | 0 | 0 | 110.4 | E192 K193 M194 E401 V432 | E192-H434 PolarHBondContact O-N 2.95Å; K193-H434 WeakPolarHBondContact CA-O 3.41Å; M194-H434 PolarHBondContact N-O 2.82Å; E401-H434 IonicContact OE2-CE1 3.85Å; V432-H434 WeakPolarHBondContact CG1-NE2 3.49Å |
| 435 | S | 95.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133.4 | 160.1 | 54.9 | 0 | 0 | 0 | 0 | 110 | S399 F400 | S399-S435 VanDerWaalsContact CA-OG 3.23Å; S399-S435 WeakPolarHBondContact CA-OG 3.42Å; F400-S435 PolarHBondContact N-OG 3.35Å; F400-S435 PolarHBondContact O-N 2.98Å; F400-S435 PolarHBondContact O-OG 3.33Å |
| 436 | D | 93.9 | Very high | 93.3 | Very high | 96 Ų | 96 | 54.2 Ų | 54.2 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -58.3 | 166.1 | -173.8 | 53.1 | 0 | 0 | 0 | 109.7 | K193 M194 S195 | K193-D436 HydrophobicContact CB-CB 4.09Å; M194-D436 PolarHBondContact O-N 3.29Å; S195-D436 PolarHBondContact OG-OD2 2.76Å |
| 437 | S | 94.8 | Very high | 94.2 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 98.1 | 169.9 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | M194 S195 V196 | M194-S437 PolarHBondContact O-N 3.38Å; S195-S437 CarbonylContact C-O 3.46Å; S195-S437 WeakPolarHBondContact CA-O 3.31Å; S195-S437 PolarHBondContact OG-N 2.84Å; V196-S437 PolarHBondContact N-O 2.86Å |
| 438 | Y | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 98.3 | 179.3 | -160 | -73.4 | 0 | 0 | 0 | 110.6 | M194 V196 I198 P293 P294 F295 G397 L398 F400 I440 | M194-Y438 HydrophobicContact CG-CD2 4.48Å; M194-Y438 HydrophobicContact SD-CD2 4.32Å; M194-Y438 HydrophobicContact SD-CE2 4.06Å; V196-Y438 HydrophobicContact CB-CD2 3.64Å; V196-Y438 HydrophobicContact CB-CE2 3.63Å; V196-Y438 HydrophobicContact CB-CG 4.25Å; V196-Y438 HydrophobicContact CG1-CD2 4.18Å; V196-Y438 HydrophobicContact CG1-CE1 4.35Å; V196-Y438 HydrophobicContact CG1-CE2 3.75Å; V196-Y438 HydrophobicContact CG2-CD2 4.08Å; V196-Y438 HydrophobicContact CG2-CE2 3.87Å; I198-Y438 HydrophobicContact CD1-CE1 4.23Å; P293-Y438 HydrophobicContact CB-CE2 4.41Å; P293-Y438 WeakPolarHBondContact CB-OH 3.45Å; P294-Y438 HydrophobicContact CG-CE2 4.16Å; F295-Y438 HydrophobicContact CB-CE1 4.36Å; F295-Y438 PolarHBondContact N-OH 2.61Å; F295-Y438 PolarHBondContact O-OH 3.33Å; G397-Y438 CarbonylContact C-O 3.56Å; G397-Y438 WeakPolarHBondContact CA-O 3.03Å; L398-Y438 HydrophobicContact CB-CD1 3.89Å; L398-Y438 HydrophobicContact CB-CG 4.25Å; L398-Y438 HydrophobicContact CD1-CD1 3.68Å; L398-Y438 HydrophobicContact CD1-CE1 3.77Å; L398-Y438 HydrophobicContact CG-CD1 3.95Å; L398-Y438 PolarHBondContact N-O 3.47Å; L398-Y438 WeakPolarHBondContact O-CB 3.2Å; F400-Y438 HydrophobicContact CE1-CD1 4.47Å; F400-Y438 AromaticContact CE1-CD2 3.58Å; F400-Y438 HydrophobicContact CE1-CD2 3.58Å; F400-Y438 HydrophobicContact CE1-CE2 4.17Å; F400-Y438 AromaticContact CE1-CG 3.75Å; F400-Y438 HydrophobicContact CE1-CG 3.75Å; F400-Y438 AromaticContact CZ-CD2 3.71Å; F400-Y438 HydrophobicContact CZ-CD2 3.71Å; F400-Y438 HydrophobicContact CZ-CE2 4.16Å; F400-Y438 HydrophobicContact CZ-CG 4.34Å; Y438-I440 HydrophobicContact CD1-CG1 4.28Å; Y438-I440 HydrophobicContact CE1-CD1 4Å; Y438-I440 HydrophobicContact CE1-CG1 4Å |
| 439 | I | 97.8 | Very high | 95.1 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.9 | -170.6 | -55.6 | -59.3 | 0 | 0 | 0 | 110.8 | V196 V197 I198 P395 V396 | V196-I439 PolarHBondContact O-N 2.84Å; V197-I439 CarbonylContact C-O 3.51Å; V197-I439 WeakPolarHBondContact CA-O 3.28Å; I198-I439 PolarHBondContact N-O 2.78Å; P395-I439 HydrophobicContact CB-CG2 3.59Å; P395-I439 HydrophobicContact CG-CG2 3.74Å; V396-I439 WeakPolarHBondContact O-CA 3.26Å |
| 440 | I | 97.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115 | 173 | -50.2 | 175.4 | 0 | 0 | 0 | 108.3 | I198 L297 P395 V396 L398 Y438 | I198-I440 HydrophobicContact CB-CB 4.5Å; I198-I440 HydrophobicContact CB-CG1 4.28Å; I198-I440 HydrophobicContact CB-CG2 4.17Å; I198-I440 HydrophobicContact CD1-CD1 4.49Å; I198-I440 HydrophobicContact CD1-CG1 4.21Å; I198-I440 HydrophobicContact CG1-CG1 4.48Å; I198-I440 HydrophobicContact CG2-CG2 4.33Å; L297-I440 HydrophobicContact CB-CD1 3.46Å; L297-I440 VanDerWaalsContact CB-CD1 3.46Å; L297-I440 HydrophobicContact CB-CG2 4.12Å; L297-I440 HydrophobicContact CD2-CB 4.48Å; L297-I440 HydrophobicContact CD2-CD1 4.45Å; L297-I440 HydrophobicContact CD2-CG2 4.41Å; P395-I440 WeakPolarHBondContact CB-O 3.47Å; V396-I440 PolarHBondContact N-O 3.38Å; V396-I440 PolarHBondContact O-N 2.81Å; L398-I440 HydrophobicContact CD1-CD1 4Å; Y438-I440 HydrophobicContact CD1-CG1 4.28Å; Y438-I440 HydrophobicContact CE1-CD1 4Å; Y438-I440 HydrophobicContact CE1-CG1 4Å |
| 441 | R | 95 | Very high | 95.6 | Very high | 126 Ų | 126 | 44.9 Ų | 44.9 | 48% | 0.475 | 22% | 0.222 | S | C | . | . | trans | -70.6 | 138 | 174 | -62.2 | 179.7 | -179 | 174.5 | -0.3 | 108.7 | I198 S200 P395 | I198-R441 PolarHBondContact O-N 2.65Å; S200-R441 VanDerWaalsContact CA-O 3.28Å; S200-R441 WeakPolarHBondContact CA-O 3.4Å; P395-R441 HydrophobicContact CB-CG 4.31Å | ||
| 442 | I | 90.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 33% | 0.328 | 22% | 0.223 | S | C | . | . | trans | -125 | 0 | -177.9 | 63 | 169.6 | 0 | 0 | 0 | 111.1 | L297 P299 V301 I332 V393 V396 | L297-I442 HydrophobicContact CD2-CG2 3.87Å; P299-I442 HydrophobicContact CB-CB 3.92Å; P299-I442 HydrophobicContact CB-CG2 3.76Å; P299-I442 HydrophobicContact CG-CB 3.78Å; P299-I442 HydrophobicContact CG-CG2 3.61Å; V301-I442 HydrophobicContact CG2-CD1 4.28Å; I332-I442 HydrophobicContact CG2-CD1 4.42Å; V393-I442 HydrophobicContact CG1-CD1 3.69Å; V396-I442 HydrophobicContact CG2-CD1 3.77Å; V396-I442 HydrophobicContact CG2-CG1 4.35Å; V396-I442 HydrophobicContact CG2-CG2 3.78Å |
Retrieved 442 of 442 residues in 833.9 ms
(Link to these results)