| 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 | 89.8 | Confident | 85.2 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 51% | 0.507 | 33% | 0.332 | S | S | . | . | 0 | 150.4 | 0 | -179.5 | -179.9 | -171.3 | 0 | 0 | 109 | L3 L60 V63 V89 | M1-L3 HydrophobicContact CE-CD2 3.72Å; M1-L3 HydrophobicContact CG-CD2 4.48Å; M1-L3 HydrophobicContact SD-CD2 4.22Å; M1-L60 PolarHBondContact N-O 2.85Å; M1-L60 PolarHBondContact O-N 2.55Å; M1-V63 HydrophobicContact CB-CG2 3.81Å; M1-V89 HydrophobicContact CE-CB 4.42Å; M1-V89 HydrophobicContact CE-CG1 4.03Å; M1-V89 HydrophobicContact CE-CG2 3.8Å; M1-V89 HydrophobicContact SD-CG1 3.86Å; M1-V89 HydrophobicContact SD-CG2 4.16Å | |||
| 2 | V | 93.3 | Very high | 85.3 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | L49 I58 A59 | V2-L49 HydrophobicContact CG1-CD1 3.6Å; V2-L49 HydrophobicContact CG2-CD1 4.38Å; V2-I58 WeakPolarHBondContact CA-O 3.46Å; V2-A59 HydrophobicContact CG2-CB 4.34Å |
| 3 | L | 93.6 | Very high | 85.7 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 101.2 | 173.4 | -57.6 | 179.6 | 0 | 0 | 0 | 108.5 | M1 C5 W18 S57 I58 Y71 F87 V89 | M1-L3 HydrophobicContact CE-CD2 3.72Å; M1-L3 HydrophobicContact CG-CD2 4.48Å; M1-L3 HydrophobicContact SD-CD2 4.22Å; L3-C5 PolarHBondContact O-N 2.6Å; L3-W18 HydrophobicContact CB-CH2 3.43Å; L3-W18 VanDerWaalsContact CB-CH2 3.43Å; L3-W18 HydrophobicContact CB-CZ2 4.14Å; L3-W18 HydrophobicContact CB-CZ3 3.95Å; L3-W18 HydrophobicContact CD1-CE3 4.45Å; L3-W18 HydrophobicContact CD1-CH2 4.15Å; L3-W18 HydrophobicContact CD1-CZ3 3.78Å; L3-W18 HydrophobicContact CG-CH2 4.43Å; L3-S57 WeakPolarHBondContact O-CA 3.01Å; L3-S57 WeakPolarHBondContact O-CB 3.4Å; L3-I58 HydrophobicContact CB-CG1 4.07Å; L3-I58 HydrophobicContact CD1-CD1 4.24Å; L3-I58 HydrophobicContact CD1-CG1 4.36Å; L3-I58 PolarHBondContact N-O 3.34Å; L3-I58 PolarHBondContact O-N 3.17Å; L3-Y71 HydrophobicContact CD1-CD1 4.12Å; L3-Y71 HydrophobicContact CD1-CD2 4.36Å; L3-Y71 HydrophobicContact CD1-CG 3.98Å; L3-F87 HydrophobicContact CB-CD1 4.39Å; L3-F87 HydrophobicContact CB-CE1 4.48Å; L3-F87 HydrophobicContact CD2-CB 4.25Å; L3-F87 HydrophobicContact CD2-CD1 4.24Å; L3-F87 HydrophobicContact CD2-CG 4.39Å; L3-V89 HydrophobicContact CD2-CG2 4.13Å |
| 4 | A | 92.8 | Very high | 86.1 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | trans | -81.5 | 100.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S57 K85 F87 | A4-S57 WeakPolarHBondContact CA-OG 3.27Å; A4-K85 PolarHBondContact O-NZ 2.74Å; A4-F87 WeakPolarHBondContact O-CE1 3.16Å; A4-F87 WeakPolarHBondContact O-CZ 3.28Å | ||
| 5 | C | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -117.5 | 76.4 | -179.9 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | L3 W18 G56 S57 C73 W83 F87 | L3-C5 PolarHBondContact O-N 2.6Å; C5-W18 HydrophobicContact CB-CH2 3.9Å; C5-W18 HydrophobicContact CB-CZ2 3.39Å; C5-G56 CarbonylContact O-C 3.51Å; C5-G56 WeakPolarHBondContact O-CA 3.26Å; C5-G56 PolarHBondContact O-N 3.5Å; C5-S57 PolarHBondContact N-OG 3.08Å; C5-S57 PolarHBondContact O-N 3.16Å; C5-C73 HydrophobicContact CB-CB 3.82Å; C5-C73 WeakPolarHBondContact CB-SG 3.47Å; C5-C73 WeakPolarHBondContact SG-CB 3.43Å; C5-C73 CovalentContact SG-SG 2.02Å; C5-C73 PolarHBondContact SG-SG 3.48Å; C5-W83 WeakPolarHBondContact SG-CZ3 3.41Å; C5-F87 HydrophobicContact CB-CE2 4.22Å; C5-F87 HydrophobicContact CB-CZ 4.04Å | ||
| 6 | V | 89 | Confident | 87.2 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 38% | 0.376 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -102.8 | 121.5 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | D55 W83 | V6-D55 HydrophobicContact CG2-CB 4.44Å; V6-D55 WeakPolarHBondContact CG2-OD1 3.24Å; V6-W83 WeakPolarHBondContact O-CH2 3.45Å; V6-W83 WeakPolarHBondContact O-CZ3 3.17Å |
| 7 | C | 85.1 | Confident | 87.6 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.034 | 32% | 0.318 | C | S | . | . | trans | -73.4 | 130.4 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | W9 M54 V75 W83 | C7-W9 VanDerWaalsContact SG-CD1 3.51Å; C7-W9 PolarHBondContact SG-NE1 2.92Å; C7-M54 HydrophobicContact CB-CB 4.16Å; C7-M54 HydrophobicContact CB-CE 4.24Å; C7-M54 PolarHBondContact N-O 2.97Å; C7-M54 VanDerWaalsContact N-O 3.17Å; C7-V75 HydrophobicContact CB-CB 4.43Å; C7-V75 HydrophobicContact CB-CG1 4.05Å; C7-W83 HydrophobicContact CB-CD2 4.13Å; C7-W83 HydrophobicContact CB-CE3 3.81Å; C7-W83 HydrophobicContact CB-CG 4.46Å; C7-W83 HydrophobicContact CB-CZ3 4.31Å | ||
| 8 | P | 78.4 | Confident | 88.1 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | trans | -78.1 | -20.1 | -168.7 | 29.4 | -35 | 0 | 0 | 0 | 114.2 | ||||
| 9 | W | 71.9 | Confident | 88.4 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 12% | 0.117 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -100.1 | 153.5 | -175.8 | 51.1 | 67.3 | 0 | 0 | 0 | 113 | C7 T77 Q80 W83 Y168 | C7-W9 VanDerWaalsContact SG-CD1 3.51Å; C7-W9 PolarHBondContact SG-NE1 2.92Å; W9-T77 PolarHBondContact NE1-OG1 2.97Å; W9-Q80 HydrophobicContact CZ2-CB 4.41Å; W9-W83 HydrophobicContact CH2-CB 4.03Å; W9-W83 AromaticContact CH2-CD1 3.34Å; W9-W83 HydrophobicContact CH2-CG 4Å; W9-W83 HydrophobicContact CZ2-CB 3.62Å; W9-W83 AromaticContact CZ2-CD1 3.82Å; W9-W83 HydrophobicContact CZ2-CG 4.02Å; W9-W83 AromaticContact CZ3-CD1 3.78Å; W9-Y168 AromaticContact CE3-CD1 3.95Å; W9-Y168 HydrophobicContact CE3-CD1 3.95Å; W9-Y168 AromaticContact CH2-CD1 3.14Å; W9-Y168 HydrophobicContact CH2-CD1 3.14Å; W9-Y168 AromaticContact CH2-CE1 3.53Å; W9-Y168 HydrophobicContact CH2-CE1 3.53Å; W9-Y168 HydrophobicContact CH2-CG 4.06Å; W9-Y168 AromaticContact CZ2-CD1 3.93Å; W9-Y168 HydrophobicContact CZ2-CD1 3.93Å; W9-Y168 AromaticContact CZ2-CE1 4Å; W9-Y168 HydrophobicContact CZ2-CE1 4Å; W9-Y168 AromaticContact CZ3-CD1 3.21Å; W9-Y168 HydrophobicContact CZ3-CD1 3.21Å; W9-Y168 HydrophobicContact CZ3-CE1 4.08Å; W9-Y168 AromaticContact CZ3-CG 3.84Å; W9-Y168 HydrophobicContact CZ3-CG 3.84Å |
| 10 | D | 72.7 | Confident | 88.7 | Confident | 158 Ų | 158 | 49.2 Ų | 49.2 | 85% | 0.845 | 29% | 0.285 | S | S | * | . | trans | -72 | 135.7 | 172 | -72.3 | -37.2 | 0 | 0 | 0 | 110.9 | ||||
| 11 | G | 79.6 | Confident | 88.6 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | trans | -177.9 | -176.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M54 | G11-M54 VanDerWaalsContact O-SD 3.4Š| ||
| 12 | Q | 86.1 | Confident | 88.2 | Confident | 135 Ų | 135 | 51.8 Ų | 51.8 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.4 | 171.6 | -170.4 | 170.9 | -0.2 | 0 | 0 | 109.6 | S14 T77 F78 | Q12-S14 PolarHBondContact O-N 3.23Å; Q12-T77 WeakPolarHBondContact O-CA 3.41Å; Q12-F78 PolarHBondContact N-O 3.07Å; Q12-F78 PolarHBondContact O-N 2.94Å |
| 13 | L | 90.9 | Very high | 87.7 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 123.8 | 173.6 | -179.2 | 66.4 | 0 | 0 | 0 | 110 | V16 F30 P32 P53 M54 V75 | L13-V16 HydrophobicContact CD1-CG2 3.71Å; L13-V16 HydrophobicContact CD2-CG2 4.05Å; L13-V16 HydrophobicContact CG-CG2 4.4Å; L13-F30 HydrophobicContact CD2-CD1 4.09Å; L13-F30 HydrophobicContact CD2-CE1 3.64Å; L13-P32 HydrophobicContact CB-CG 4.42Å; L13-P32 HydrophobicContact CD2-CG 4.14Å; L13-P32 HydrophobicContact CG-CG 4.18Å; L13-P32 WeakPolarHBondContact O-CG 3.49Å; L13-P53 WeakPolarHBondContact CD2-O 3.43Å; L13-M54 HydrophobicContact CB-SD 3.93Å; L13-V75 HydrophobicContact CD1-CG1 3.41Å; L13-V75 VanDerWaalsContact CD1-CG1 3.41Å |
| 14 | S | 91.3 | Very high | 87.1 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 43% | 0.434 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -44.6 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | Q12 S31 P32 Q76 | Q12-S14 PolarHBondContact O-N 3.23Å; S14-S31 PolarHBondContact O-OG 3.03Å; S14-P32 VanDerWaalsContact O-CD 3.31Å; S14-P32 WeakPolarHBondContact O-CD 3.14Å; S14-Q76 PolarHBondContact N-O 3.09Å |
| 15 | M | 93.8 | Very high | 86.9 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 38% | 0.384 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 150.7 | -176.6 | -171.2 | 175.7 | -69.2 | 0 | 0 | 110.8 | V29 F30 Q76 | M15-V29 HydrophobicContact CG-CG1 3.91Å; M15-V29 HydrophobicContact SD-CG1 3.9Å; M15-F30 CarbonylContact C-O 3.58Å; M15-F30 VanDerWaalsContact CA-O 3.3Å; M15-F30 WeakPolarHBondContact CA-O 3.29Å; M15-F30 WeakPolarHBondContact CG-O 3.29Å; M15-Q76 HydrophobicContact CB-CB 4.1Å; M15-Q76 HydrophobicContact CB-CG 4.12Å; M15-Q76 WeakPolarHBondContact O-CB 3.46Å; M15-Q76 PolarHBondContact O-N 2.97Å |
| 16 | V | 95 | Very high | 87 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.1 | 165.7 | -176 | 0 | 0 | 0 | 0 | 107.9 | L13 V29 F30 F48 S74 V75 | L13-V16 HydrophobicContact CD1-CG2 3.71Å; L13-V16 HydrophobicContact CD2-CG2 4.05Å; L13-V16 HydrophobicContact CG-CG2 4.4Å; V16-V29 CarbonylContact O-C 3.57Å; V16-V29 VanDerWaalsContact O-CA 3.29Å; V16-V29 WeakPolarHBondContact O-CA 3.5Å; V16-F30 HydrophobicContact CB-CB 4.31Å; V16-F30 HydrophobicContact CG2-CD1 4.13Å; V16-F30 PolarHBondContact N-O 2.76Å; V16-F30 PolarHBondContact O-N 2.82Å; V16-F48 HydrophobicContact CB-CE1 4.32Å; V16-F48 HydrophobicContact CG1-CE1 4.03Å; V16-S74 CarbonylContact C-O 3.6Å; V16-S74 VanDerWaalsContact CA-O 3.29Å; V16-S74 WeakPolarHBondContact CA-O 3.31Å; V16-V75 HydrophobicContact CG1-CG2 4.3Å; V16-V75 HydrophobicContact CG2-CG1 4.28Å; V16-V75 HydrophobicContact CG2-CG2 4.39Å |
| 17 | S | 95.1 | Very high | 87.2 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.2 | 170.8 | 63 | 0 | 0 | 0 | 0 | 111.1 | S74 | S17-S74 PolarHBondContact N-O 3.1Å; S17-S74 PolarHBondContact O-N 2.79Å |
| 18 | W | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.4 | 172.6 | -78.8 | 88.7 | 0 | 0 | 0 | 109 | L3 C5 P26 I27 A28 F48 G56 I58 H72 C73 F87 | L3-W18 HydrophobicContact CB-CH2 3.43Å; L3-W18 VanDerWaalsContact CB-CH2 3.43Å; L3-W18 HydrophobicContact CB-CZ2 4.14Å; L3-W18 HydrophobicContact CB-CZ3 3.95Å; L3-W18 HydrophobicContact CD1-CE3 4.45Å; L3-W18 HydrophobicContact CD1-CH2 4.15Å; L3-W18 HydrophobicContact CD1-CZ3 3.78Å; L3-W18 HydrophobicContact CG-CH2 4.43Å; C5-W18 HydrophobicContact CB-CH2 3.9Å; C5-W18 HydrophobicContact CB-CZ2 3.39Å; W18-P26 CarbonylContact O-C 3.5Å; W18-P26 WeakPolarHBondContact O-CA 3.08Å; W18-P26 WeakPolarHBondContact O-CB 3.34Å; W18-I27 HydrophobicContact CB-CD1 4.28Å; W18-I27 HydrophobicContact CB-CG1 3.77Å; W18-I27 WeakPolarHBondContact O-CG1 3.24Å; W18-I27 PolarHBondContact O-N 2.99Å; W18-A28 HydrophobicContact CB-CB 4.25Å; W18-A28 PolarHBondContact N-O 2.75Å; W18-A28 PolarHBondContact O-N 2.79Å; W18-F48 AromaticContact CD1-CE1 3.85Å; W18-F48 AromaticContact NE1-CE1 3.99Å; W18-G56 PolarHBondContact NE1-O 3.27Å; W18-I58 HydrophobicContact CB-CD1 4.47Å; W18-I58 HydrophobicContact CD2-CD1 3.61Å; W18-I58 HydrophobicContact CD2-CG1 4.02Å; W18-I58 HydrophobicContact CE3-CD1 3.93Å; W18-I58 HydrophobicContact CE3-CG1 4.45Å; W18-I58 HydrophobicContact CG-CD1 3.87Å; W18-I58 HydrophobicContact CG-CG2 4.39Å; W18-I58 HydrophobicContact CH2-CG1 4.24Å; W18-I58 HydrophobicContact CZ2-CD1 4.3Å; W18-I58 HydrophobicContact CZ2-CG1 3.79Å; W18-I58 HydrophobicContact CZ3-CD1 4.4Å; W18-H72 WeakPolarHBondContact CA-O 3.45Å; W18-C73 HydrophobicContact CD2-CB 4Å; W18-C73 HydrophobicContact CE3-CB 3.97Å; W18-C73 HydrophobicContact CH2-CB 3.7Å; W18-C73 HydrophobicContact CZ2-CB 3.73Å; W18-C73 HydrophobicContact CZ3-CB 3.82Å; W18-F87 AromaticContact CH2-CD2 3.66Å; W18-F87 HydrophobicContact CH2-CD2 3.66Å; W18-F87 AromaticContact CH2-CE2 3.36Å; W18-F87 HydrophobicContact CH2-CE2 3.36Å; W18-F87 HydrophobicContact CH2-CG 4.45Å; W18-F87 AromaticContact CH2-CZ 3.91Å; W18-F87 HydrophobicContact CH2-CZ 3.91Å; W18-F87 HydrophobicContact CZ2-CE2 4.38Å; W18-F87 AromaticContact CZ3-CD2 3.61Å; W18-F87 HydrophobicContact CZ3-CD2 3.61Å; W18-F87 AromaticContact CZ3-CE2 3.78Å; W18-F87 HydrophobicContact CZ3-CE2 3.78Å; W18-F87 HydrophobicContact CZ3-CG 4.42Å |
| 19 | T | 94.3 | Very high | 88.5 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 153.9 | 173.6 | 52 | 0 | 0 | 0 | 0 | 109.7 | P26 Y71 H72 | T19-P26 HydrophobicContact CG2-CB 4.22Å; T19-Y71 WeakPolarHBondContact O-CA 3.37Å; T19-H72 PolarHBondContact N-O 3.08Å; T19-H72 PolarHBondContact O-N 2.98Å; T19-H72 WeakPolarHBondContact OG1-CB 3.39Å |
| 20 | K | 93.4 | Very high | 89.6 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118 | 177.3 | -175.3 | -171.2 | -179.9 | -177.2 | 0 | 109.4 | D23 I27 Q66 Y71 | K20-D23 WeakPolarHBondContact O-CA 3.42Å; K20-D23 WeakPolarHBondContact O-CB 3.36Å; K20-D23 PolarHBondContact O-N 2.64Å; K20-I27 HydrophobicContact CB-CD1 4.32Å; K20-I27 HydrophobicContact CB-CG2 3.96Å; K20-Q66 PolarHBondContact NZ-O 3.41Å; K20-Y71 HydrophobicContact CB-CD1 4.06Å; K20-Y71 HydrophobicContact CB-CE1 4.02Å; K20-Y71 HydrophobicContact CD-CE1 3.77Å; K20-Y71 HydrophobicContact CD-CE2 4.39Å; K20-Y71 WeakPolarHBondContact CE-OH 3.49Å; K20-Y71 HydrophobicContact CG-CD1 4.12Å; K20-Y71 HydrophobicContact CG-CE1 3.83Å; K20-Y71 HydrophobicContact CG-CE2 4.37Å; K20-Y71 PolarHBondContact NZ-OH 2.87Å |
| 21 | V | 86.8 | Confident | 90.6 | Very high | 79 Ų | 79 | 52.8 Ų | 52.8 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 139.6 | -179.5 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | L70 | V21-L70 HydrophobicContact CB-CB 4.31Å; V21-L70 HydrophobicContact CG2-CB 4.43Å; V21-L70 HydrophobicContact CG2-CD2 4.2Å; V21-L70 HydrophobicContact CG2-CG 4.43Å; V21-L70 PolarHBondContact N-O 2.83Å |
| 22 | P | 82.6 | Confident | 91.1 | Very high | 128 Ų | 128 | 54.4 Ų | 54.4 | 83% | 0.831 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.9 | 1.8 | 8 | 36.7 | -36.9 | 0 | 0 | 0 | 115.3 | K24 | P22-K24 PolarHBondContact O-N 2.94Š|
| 23 | D | 82.4 | Confident | 91.3 | Very high | 86 Ų | 86 | 55.7 Ų | 55.7 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | trans | -70.2 | 131.7 | 178.1 | -162.1 | -11.5 | 0 | 0 | 0 | 109.9 | K20 N25 | K20-D23 WeakPolarHBondContact O-CA 3.42Å; K20-D23 WeakPolarHBondContact O-CB 3.36Å; K20-D23 PolarHBondContact O-N 2.64Å; D23-N25 VanDerWaalsContact C-N 3.35Å; D23-N25 WeakPolarHBondContact OD1-CB 3.35Å; D23-N25 PolarHBondContact OD1-N 2.83Å; D23-N25 PolarHBondContact OD1-ND2 3.38Å | ||
| 24 | K | 80.6 | Confident | 91.3 | Very high | 193 Ų | 193 | 62.9 Ų | 62.9 | 84% | 0.839 | 34% | 0.337 | S | S | * | . | trans | -85 | -15.8 | 176.4 | -67.8 | -174.4 | 178.6 | -176.7 | 0 | 111.8 | P22 | P22-K24 PolarHBondContact O-N 2.94Š| ||
| 25 | N | 88.4 | Confident | 91.4 | Very high | 106 Ų | 106 | 61.5 Ų | 61.5 | 57% | 0.567 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -76.6 | 142 | -179.5 | -62 | -53 | 0 | 0 | 0 | 110.9 | D23 I27 | D23-N25 VanDerWaalsContact C-N 3.35Å; D23-N25 WeakPolarHBondContact OD1-CB 3.35Å; D23-N25 PolarHBondContact OD1-N 2.83Å; D23-N25 PolarHBondContact OD1-ND2 3.38Å; N25-I27 PolarHBondContact O-N 2.82Å |
| 26 | P | 92.6 | Very high | 91.4 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 131.4 | 177.4 | 29.1 | -33.7 | 0 | 0 | 0 | 110.9 | W18 T19 A28 V29 P39 | W18-P26 CarbonylContact O-C 3.5Å; W18-P26 WeakPolarHBondContact O-CA 3.08Å; W18-P26 WeakPolarHBondContact O-CB 3.34Å; T19-P26 HydrophobicContact CG2-CB 4.22Å; P26-A28 VanDerWaalsContact C-N 3.34Å; P26-V29 HydrophobicContact CB-CG2 3.56Å; P26-V29 HydrophobicContact CG-CG2 3.72Å; P26-P39 WeakPolarHBondContact O-CG 3.45Å |
| 27 | I | 94.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -20.4 | 174 | 63.8 | 167.8 | 0 | 0 | 0 | 111.9 | W18 K20 N25 P39 Y42 I46 Y71 | W18-I27 HydrophobicContact CB-CD1 4.28Å; W18-I27 HydrophobicContact CB-CG1 3.77Å; W18-I27 WeakPolarHBondContact O-CG1 3.24Å; W18-I27 PolarHBondContact O-N 2.99Å; K20-I27 HydrophobicContact CB-CD1 4.32Å; K20-I27 HydrophobicContact CB-CG2 3.96Å; N25-I27 PolarHBondContact O-N 2.82Å; I27-P39 WeakPolarHBondContact O-CD 3.48Å; I27-Y42 HydrophobicContact CB-CD2 3.93Å; I27-Y42 HydrophobicContact CB-CE2 3.91Å; I27-Y42 HydrophobicContact CB-CG 4.36Å; I27-Y42 HydrophobicContact CG2-CD2 4.09Å; I27-Y42 HydrophobicContact CG2-CE2 3.56Å; I27-I46 HydrophobicContact CB-CD1 4.33Å; I27-I46 HydrophobicContact CD1-CD1 3.88Å; I27-I46 HydrophobicContact CG1-CD1 4.14Å; I27-Y71 HydrophobicContact CD1-CD1 3.65Å; I27-Y71 HydrophobicContact CD1-CE1 3.63Å |
| 28 | A | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 139.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110 | W18 P26 V38 I46 F48 | W18-A28 HydrophobicContact CB-CB 4.25Å; W18-A28 PolarHBondContact N-O 2.75Å; W18-A28 PolarHBondContact O-N 2.79Å; P26-A28 VanDerWaalsContact C-N 3.34Å; A28-V38 HydrophobicContact CB-CG2 4.08Å; A28-I46 HydrophobicContact CB-CD1 4.3Å; A28-I46 HydrophobicContact CB-CG2 3.91Å; A28-F48 HydrophobicContact CB-CE2 3.81Å; A28-F48 HydrophobicContact CB-CZ 3.84Å |
| 29 | V | 95.9 | Very high | 91.2 | Very high | 30 Ų | 30 | 67.4 Ų | 67.4 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.1 | 174.4 | -176 | 0 | 0 | 0 | 0 | 108.5 | M15 V16 P26 V36 S37 | M15-V29 HydrophobicContact CG-CG1 3.91Å; M15-V29 HydrophobicContact SD-CG1 3.9Å; V16-V29 CarbonylContact O-C 3.57Å; V16-V29 VanDerWaalsContact O-CA 3.29Å; V16-V29 WeakPolarHBondContact O-CA 3.5Å; P26-V29 HydrophobicContact CB-CG2 3.56Å; P26-V29 HydrophobicContact CG-CG2 3.72Å; V29-V36 CarbonylContact O-C 3.48Å; V29-V36 WeakPolarHBondContact O-CA 3.41Å; V29-S37 PolarHBondContact N-O 3.28Å; V29-S37 PolarHBondContact O-N 2.88Å |
| 30 | F | 95 | Very high | 90.9 | Very high | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.2 | 172.4 | 168.3 | -117 | 0 | 0 | 0 | 109.6 | L13 M15 V16 P32 V36 F48 | L13-F30 HydrophobicContact CD2-CD1 4.09Å; L13-F30 HydrophobicContact CD2-CE1 3.64Å; M15-F30 CarbonylContact C-O 3.58Å; M15-F30 VanDerWaalsContact CA-O 3.3Å; M15-F30 WeakPolarHBondContact CA-O 3.29Å; M15-F30 WeakPolarHBondContact CG-O 3.29Å; V16-F30 HydrophobicContact CB-CB 4.31Å; V16-F30 HydrophobicContact CG2-CD1 4.13Å; V16-F30 PolarHBondContact N-O 2.76Å; V16-F30 PolarHBondContact O-N 2.82Å; F30-P32 HydrophobicContact CE1-CG 4.3Å; F30-P32 HydrophobicContact CZ-CG 4.25Å; F30-V36 HydrophobicContact CB-CG2 4.42Å; F30-V36 HydrophobicContact CD2-CG2 3.6Å; F30-V36 HydrophobicContact CE2-CG2 4.36Å; F30-V36 HydrophobicContact CG-CG2 4.39Å; F30-F48 HydrophobicContact CB-CD1 4.08Å; F30-F48 HydrophobicContact CB-CD2 4.08Å; F30-F48 HydrophobicContact CB-CE1 3.78Å; F30-F48 HydrophobicContact CB-CE2 3.76Å; F30-F48 HydrophobicContact CB-CG 4.22Å; F30-F48 HydrophobicContact CB-CZ 3.6Å |
| 31 | S | 92.7 | Very high | 90.7 | Very high | 8 Ų | 8 | 79 Ų | 79 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135 | 168.5 | 173.4 | 0 | 0 | 0 | 0 | 108.7 | S14 E33 F34 G35 | S14-S31 PolarHBondContact O-OG 3.03Å; S31-E33 PolarHBondContact O-N 3.01Å; S31-E33 PolarHBondContact OG-N 3.28Å; S31-F34 PolarHBondContact O-N 2.92Å; S31-F34 PolarHBondContact OG-N 3.08Å; S31-G35 PolarHBondContact N-O 2.63Å; S31-G35 CarbonylContact O-C 3.6Å; S31-G35 VanDerWaalsContact O-CA 3.24Å; S31-G35 WeakPolarHBondContact O-CA 3.37Å; S31-G35 PolarHBondContact O-N 3.31Å |
| 32 | P | 91.1 | Very high | 90.8 | Very high | 70 Ų | 70 | 77.1 Ų | 77.1 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.9 | 173.7 | -27.7 | 38.3 | 0 | 0 | 0 | 113.6 | L13 S14 F30 | L13-P32 HydrophobicContact CB-CG 4.42Å; L13-P32 HydrophobicContact CD2-CG 4.14Å; L13-P32 HydrophobicContact CG-CG 4.18Å; L13-P32 WeakPolarHBondContact O-CG 3.49Å; S14-P32 VanDerWaalsContact O-CD 3.31Å; S14-P32 WeakPolarHBondContact O-CD 3.14Å; F30-P32 HydrophobicContact CE1-CG 4.3Å; F30-P32 HydrophobicContact CZ-CG 4.25Å |
| 33 | E | 89.9 | Confident | 91.1 | Very high | 163 Ų | 163 | 78.7 Ų | 78.7 | 76% | 0.762 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -43 | -179.4 | -62.8 | -175.6 | 173.5 | 0 | 0 | 112.7 | S31 | S31-E33 PolarHBondContact O-N 3.01Å; S31-E33 PolarHBondContact OG-N 3.28Å |
| 34 | F | 91.2 | Very high | 91.4 | Very high | 171 Ų | 171 | 82.7 Ų | 82.7 | 75% | 0.75 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -3.8 | -173.3 | -57.8 | -74.6 | 0 | 0 | 0 | 114.2 | S31 | S31-F34 PolarHBondContact O-N 2.92Å; S31-F34 PolarHBondContact OG-N 3.08Å |
| 35 | G | 92.4 | Very high | 92.1 | Very high | 32 Ų | 32 | 75.8 Ų | 75.8 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.2 | -153.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S31 | S31-G35 PolarHBondContact N-O 2.63Å; S31-G35 CarbonylContact O-C 3.6Å; S31-G35 VanDerWaalsContact O-CA 3.24Å; S31-G35 WeakPolarHBondContact O-CA 3.37Å; S31-G35 PolarHBondContact O-N 3.31Å |
| 36 | V | 94.3 | Very high | 92.4 | Very high | 80 Ų | 80 | 71 Ų | 71 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.3 | -175.2 | 175 | 0 | 0 | 0 | 0 | 110 | V29 F30 V38 F48 | V29-V36 CarbonylContact O-C 3.48Å; V29-V36 WeakPolarHBondContact O-CA 3.41Å; F30-V36 HydrophobicContact CB-CG2 4.42Å; F30-V36 HydrophobicContact CD2-CG2 3.6Å; F30-V36 HydrophobicContact CE2-CG2 4.36Å; F30-V36 HydrophobicContact CG-CG2 4.39Å; V36-V38 HydrophobicContact CG1-CG2 3.73Å; V36-F48 HydrophobicContact CG1-CD2 3.77Å; V36-F48 HydrophobicContact CG1-CE2 3.92Å; V36-F48 HydrophobicContact CG2-CD2 3.96Å |
| 37 | S | 94.4 | Very high | 92.4 | Very high | 80 Ų | 80 | 71.5 Ų | 71.5 | 56% | 0.559 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 118 | 173.4 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | V29 | V29-S37 PolarHBondContact N-O 3.28Å; V29-S37 PolarHBondContact O-N 2.88Å |
| 38 | V | 94.1 | Very high | 92.4 | Very high | 20 Ų | 20 | 72.7 Ų | 72.7 | 12% | 0.121 | 37% | 0.366 | C | S | . | . | trans | -130 | 128.7 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | A28 V36 I46 | A28-V38 HydrophobicContact CB-CG2 4.08Å; V36-V38 HydrophobicContact CG1-CG2 3.73Å; V38-I46 HydrophobicContact CG1-CB 4.46Å | ||
| 39 | P | 92.4 | Very high | 92.2 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | trans | -57.3 | 154.9 | 174.5 | -22.7 | 34.5 | 0 | 0 | 0 | 112.2 | P26 I27 T41 Y42 R43 | P26-P39 WeakPolarHBondContact O-CG 3.45Å; I27-P39 WeakPolarHBondContact O-CD 3.48Å; P39-T41 PolarHBondContact O-N 2.8Å; P39-T41 VanDerWaalsContact O-N 3.1Å; P39-Y42 PolarHBondContact O-N 3.5Å; P39-R43 PolarHBondContact O-N 2.95Å; P39-R43 VanDerWaalsContact O-N 3.07Å | ||
| 40 | Y | 88.8 | Confident | 91.9 | Very high | 201 Ų | 201 | 81.7 Ų | 81.7 | 79% | 0.788 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -34.8 | -176.4 | -175.8 | -96 | 0 | 0 | 0 | 113.3 | Y42 | Y40-Y42 PolarHBondContact O-N 3.49Š|
| 41 | T | 88.5 | Confident | 91.4 | Very high | 99 Ų | 99 | 86.5 Ų | 86.5 | 61% | 0.607 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.7 | 177.5 | 46.3 | 0 | 0 | 0 | 0 | 114.1 | P39 | P39-T41 PolarHBondContact O-N 2.8Å; P39-T41 VanDerWaalsContact O-N 3.1Å |
| 42 | Y | 90.2 | Very high | 91.1 | Very high | 39 Ų | 39 | 89.1 Ų | 89.1 | 15% | 0.153 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -3.4 | -174.3 | -66.7 | -78.2 | 0 | 0 | 0 | 114 | I27 P39 Y40 E44 R45 I46 | I27-Y42 HydrophobicContact CB-CD2 3.93Å; I27-Y42 HydrophobicContact CB-CE2 3.91Å; I27-Y42 HydrophobicContact CB-CG 4.36Å; I27-Y42 HydrophobicContact CG2-CD2 4.09Å; I27-Y42 HydrophobicContact CG2-CE2 3.56Å; P39-Y42 PolarHBondContact O-N 3.5Å; Y40-Y42 PolarHBondContact O-N 3.49Å; Y42-E44 VanDerWaalsContact C-N 3.31Å; Y42-E44 PolarHBondContact O-N 2.86Å; Y42-E44 VanDerWaalsContact O-N 3.17Å; Y42-R45 PolarHBondContact O-N 2.78Å; Y42-I46 HydrophobicContact CD1-CD1 3.75Å; Y42-I46 HydrophobicContact CD1-CG1 4.25Å; Y42-I46 HydrophobicContact CG-CD1 3.9Å; Y42-I46 PolarHBondContact O-N 3.24Å |
| 43 | R | 87.4 | Confident | 90.9 | Very high | 161 Ų | 161 | 91.2 Ų | 91.2 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -35.7 | -168.3 | -179.6 | 176.3 | -80.8 | 176.9 | -7.3 | 115 | P39 | P39-R43 PolarHBondContact O-N 2.95Å; P39-R43 VanDerWaalsContact O-N 3.07Å |
| 44 | E | 90 | Very high | 90.7 | Very high | 171 Ų | 171 | 83.9 Ų | 83.9 | 80% | 0.799 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 0.3 | 178.6 | -63.2 | -176.4 | 176.4 | 0 | 0 | 113 | Y42 | Y42-E44 VanDerWaalsContact C-N 3.31Å; Y42-E44 PolarHBondContact O-N 2.86Å; Y42-E44 VanDerWaalsContact O-N 3.17Å |
| 45 | R | 94.3 | Very high | 90.7 | Very high | 47 Ų | 47 | 75.9 Ų | 75.9 | 18% | 0.177 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -32.9 | -173.5 | -55.3 | -175.3 | 68 | -145.9 | -2.4 | 111.7 | Y42 L60 K61 N62 D67 | Y42-R45 PolarHBondContact O-N 2.78Å; R45-L60 HydrophobicContact CB-CD1 4.02Å; R45-L60 CarbonylContact O-C 3.59Å; R45-L60 VanDerWaalsContact O-CA 3.31Å; R45-L60 WeakPolarHBondContact O-CA 3Å; R45-K61 PolarHBondContact O-N 3.46Å; R45-N62 PolarHBondContact NH2-O 2.75Å; R45-D67 IonicContact CZ-OD1 3.3Å; R45-D67 VanDerWaalsContact CZ-OD1 3.3Å; R45-D67 IonicContact CZ-OD2 3.68Å; R45-D67 IonicContact NH1-OD1 2.83Å; R45-D67 PolarHBondContact NH1-OD1 2.9Å; R45-D67 IonicContact NH1-OD2 3.86Å; R45-D67 IonicContact NH2-OD1 2.94Å; R45-D67 PolarHBondContact NH2-OD1 2.81Å; R45-D67 IonicContact NH2-OD2 2.64Å; R45-D67 PolarHBondContact NH2-OD2 2.83Å |
| 46 | I | 94.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.3 | -175.9 | -64 | -179 | 0 | 0 | 0 | 110.7 | I27 A28 V38 Y42 I58 A59 L60 | I27-I46 HydrophobicContact CB-CD1 4.33Å; I27-I46 HydrophobicContact CD1-CD1 3.88Å; I27-I46 HydrophobicContact CG1-CD1 4.14Å; A28-I46 HydrophobicContact CB-CD1 4.3Å; A28-I46 HydrophobicContact CB-CG2 3.91Å; V38-I46 HydrophobicContact CG1-CB 4.46Å; Y42-I46 HydrophobicContact CD1-CD1 3.75Å; Y42-I46 HydrophobicContact CD1-CG1 4.25Å; Y42-I46 HydrophobicContact CG-CD1 3.9Å; Y42-I46 PolarHBondContact O-N 3.24Å; I46-I58 HydrophobicContact CD1-CD1 4.42Å; I46-I58 HydrophobicContact CG2-CB 3.99Å; I46-I58 HydrophobicContact CG2-CD1 4.21Å; I46-I58 HydrophobicContact CG2-CG2 3.91Å; I46-A59 WeakPolarHBondContact CA-O 3.48Å; I46-L60 HydrophobicContact CD1-CD1 4.41Å; I46-L60 HydrophobicContact CG1-CD1 3.66Å |
| 47 | D | 93.6 | Very high | 90.7 | Very high | 65 Ų | 65 | 70.8 Ų | 70.8 | 35% | 0.348 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.4 | 168.8 | -67.4 | -47 | 0 | 0 | 0 | 110.9 | I58 A59 K61 | D47-I58 CarbonylContact O-C 3.59Å; D47-I58 VanDerWaalsContact O-CA 3.29Å; D47-I58 WeakPolarHBondContact O-CA 3.31Å; D47-A59 PolarHBondContact N-O 3.49Å; D47-A59 PolarHBondContact O-N 2.62Å; D47-K61 WeakPolarHBondContact OD2-CE 3.4Å; D47-K61 IonicContact OD2-NZ 2.6Å; D47-K61 PolarHBondContact OD2-NZ 3.49Å |
| 48 | F | 94.5 | Very high | 90.7 | Very high | 27 Ų | 27 | 67 Ų | 67 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 130.2 | 170.3 | -78.3 | -85.7 | 0 | 0 | 0 | 110.6 | V16 W18 A28 F30 V36 R50 I58 | V16-F48 HydrophobicContact CB-CE1 4.32Å; V16-F48 HydrophobicContact CG1-CE1 4.03Å; W18-F48 AromaticContact CD1-CE1 3.85Å; W18-F48 AromaticContact NE1-CE1 3.99Å; A28-F48 HydrophobicContact CB-CE2 3.81Å; A28-F48 HydrophobicContact CB-CZ 3.84Å; F30-F48 HydrophobicContact CB-CD1 4.08Å; F30-F48 HydrophobicContact CB-CD2 4.08Å; F30-F48 HydrophobicContact CB-CE1 3.78Å; F30-F48 HydrophobicContact CB-CE2 3.76Å; F30-F48 HydrophobicContact CB-CG 4.22Å; F30-F48 HydrophobicContact CB-CZ 3.6Å; V36-F48 HydrophobicContact CG1-CD2 3.77Å; V36-F48 HydrophobicContact CG1-CE2 3.92Å; V36-F48 HydrophobicContact CG2-CD2 3.96Å; F48-R50 HydrophobicContact CB-CG 4Å; F48-I58 HydrophobicContact CD1-CG2 3.6Å; F48-I58 HydrophobicContact CD2-CG2 4.43Å; F48-I58 HydrophobicContact CE1-CG2 3.56Å; F48-I58 HydrophobicContact CE2-CG2 4.41Å; F48-I58 HydrophobicContact CG-CG2 4.06Å; F48-I58 HydrophobicContact CZ-CG2 3.99Å |
| 49 | L | 91.6 | Very high | 90.8 | Very high | 78 Ų | 78 | 66.9 Ų | 66.9 | 41% | 0.408 | 33% | 0.33 | S | S | . | . | trans | -79.6 | -42.9 | -177.3 | -66.4 | -179.7 | 0 | 0 | 0 | 113.1 | V2 T51 S57 A59 | V2-L49 HydrophobicContact CG1-CD1 3.6Å; V2-L49 HydrophobicContact CG2-CD1 4.38Å; L49-T51 VanDerWaalsContact C-N 3.31Å; L49-T51 HydrophobicContact CB-CG2 4.34Å; L49-T51 PolarHBondContact O-N 3.44Å; L49-S57 PolarHBondContact N-O 2.82Å; L49-A59 HydrophobicContact CD2-CB 3.96Å; L49-A59 HydrophobicContact CG-CB 4.36Å | ||
| 50 | R | 88.3 | Confident | 90.9 | Very high | 141 Ų | 141 | 65 Ų | 65 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | trans | 51.6 | 43.8 | 174.3 | -58.8 | 174 | 56.1 | -176.7 | -1.2 | 113.9 | F48 T52 D55 | F48-R50 HydrophobicContact CB-CG 4Å; R50-T52 VanDerWaalsContact C-N 3.32Å; R50-T52 PolarHBondContact O-N 3.44Å; R50-D55 PolarHBondContact N-OD2 3.48Å | ||
| 51 | T | 85.4 | Confident | 91.1 | Very high | 108 Ų | 108 | 60.4 Ų | 60.4 | 66% | 0.663 | 30% | 0.301 | S | S | * | . | trans | -69.4 | -30 | -179.6 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | L49 D55 | L49-T51 VanDerWaalsContact C-N 3.31Å; L49-T51 HydrophobicContact CB-CG2 4.34Å; L49-T51 PolarHBondContact O-N 3.44Å; T51-D55 WeakPolarHBondContact CB-OD2 3.17Å; T51-D55 PolarHBondContact N-OD2 2.77Å; T51-D55 PolarHBondContact OG1-OD2 2.89Å | ||
| 52 | T | 86.8 | Confident | 91.2 | Very high | 62 Ų | 62 | 62 Ų | 62 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -126.3 | 164.4 | 174.5 | 76.2 | 0 | 0 | 0 | 0 | 110.6 | R50 M54 D55 | R50-T52 VanDerWaalsContact C-N 3.32Å; R50-T52 PolarHBondContact O-N 3.44Å; T52-M54 PolarHBondContact O-N 3.46Å; T52-M54 VanDerWaalsContact O-N 3.16Å; T52-D55 VanDerWaalsContact O-CB 3.27Å; T52-D55 WeakPolarHBondContact O-CB 3.42Å; T52-D55 PolarHBondContact O-N 2.62Å; T52-D55 VanDerWaalsContact O-N 3.08Å; T52-D55 WeakPolarHBondContact OG1-CB 3.41Å; T52-D55 PolarHBondContact OG1-N 2.95Å |
| 53 | P | 85.6 | Confident | 91.2 | Very high | 114 Ų | 114 | 63.3 Ų | 63.3 | 74% | 0.74 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -27.8 | 179 | -25 | 34.9 | 0 | 0 | 0 | 114 | L13 | L13-P53 WeakPolarHBondContact CD2-O 3.43Š|
| 54 | M | 86.8 | Confident | 91.3 | Very high | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 17.4 | -178.3 | -59.5 | -59 | -74.7 | 0 | 0 | 112.3 | C7 G11 L13 T52 G56 T77 | C7-M54 HydrophobicContact CB-CB 4.16Å; C7-M54 HydrophobicContact CB-CE 4.24Å; C7-M54 PolarHBondContact N-O 2.97Å; C7-M54 VanDerWaalsContact N-O 3.17Å; G11-M54 VanDerWaalsContact O-SD 3.4Å; L13-M54 HydrophobicContact CB-SD 3.93Å; T52-M54 PolarHBondContact O-N 3.46Å; T52-M54 VanDerWaalsContact O-N 3.16Å; M54-G56 PolarHBondContact O-N 2.77Å; M54-T77 HydrophobicContact CE-CG2 3.22Å |
| 55 | D | 90.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 105 | -179.2 | -174.2 | 11.3 | 0 | 0 | 0 | 111.4 | V6 R50 T51 T52 S57 | V6-D55 HydrophobicContact CG2-CB 4.44Å; V6-D55 WeakPolarHBondContact CG2-OD1 3.24Å; R50-D55 PolarHBondContact N-OD2 3.48Å; T51-D55 WeakPolarHBondContact CB-OD2 3.17Å; T51-D55 PolarHBondContact N-OD2 2.77Å; T51-D55 PolarHBondContact OG1-OD2 2.89Å; T52-D55 VanDerWaalsContact O-CB 3.27Å; T52-D55 WeakPolarHBondContact O-CB 3.42Å; T52-D55 PolarHBondContact O-N 2.62Å; T52-D55 VanDerWaalsContact O-N 3.08Å; T52-D55 WeakPolarHBondContact OG1-CB 3.41Å; T52-D55 PolarHBondContact OG1-N 2.95Å; D55-S57 WeakPolarHBondContact OD1-CA 3.42Å; D55-S57 WeakPolarHBondContact OD1-CB 3.45Å; D55-S57 PolarHBondContact OD1-N 2.97Å; D55-S57 PolarHBondContact OD1-OG 2.97Å |
| 56 | G | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -93.7 | 11.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114 | C5 W18 M54 | C5-G56 CarbonylContact O-C 3.51Å; C5-G56 WeakPolarHBondContact O-CA 3.26Å; C5-G56 PolarHBondContact O-N 3.5Å; W18-G56 PolarHBondContact NE1-O 3.27Å; M54-G56 PolarHBondContact O-N 2.77Å | ||
| 57 | S | 94.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 4% | 0.035 | 33% | 0.328 | C | S | . | . | trans | -65.6 | 141.8 | -175.2 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | L3 A4 C5 L49 D55 | L3-S57 WeakPolarHBondContact O-CA 3.01Å; L3-S57 WeakPolarHBondContact O-CB 3.4Å; A4-S57 WeakPolarHBondContact CA-OG 3.27Å; C5-S57 PolarHBondContact N-OG 3.08Å; C5-S57 PolarHBondContact O-N 3.16Å; L49-S57 PolarHBondContact N-O 2.82Å; D55-S57 WeakPolarHBondContact OD1-CA 3.42Å; D55-S57 WeakPolarHBondContact OD1-CB 3.45Å; D55-S57 PolarHBondContact OD1-N 2.97Å; D55-S57 PolarHBondContact OD1-OG 2.97Å | ||
| 58 | I | 95.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.3 | 176.3 | 60.8 | 171.4 | 0 | 0 | 0 | 111.9 | V2 L3 W18 I46 D47 F48 | V2-I58 WeakPolarHBondContact CA-O 3.46Å; L3-I58 HydrophobicContact CB-CG1 4.07Å; L3-I58 HydrophobicContact CD1-CD1 4.24Å; L3-I58 HydrophobicContact CD1-CG1 4.36Å; L3-I58 PolarHBondContact N-O 3.34Å; L3-I58 PolarHBondContact O-N 3.17Å; W18-I58 HydrophobicContact CB-CD1 4.47Å; W18-I58 HydrophobicContact CD2-CD1 3.61Å; W18-I58 HydrophobicContact CD2-CG1 4.02Å; W18-I58 HydrophobicContact CE3-CD1 3.93Å; W18-I58 HydrophobicContact CE3-CG1 4.45Å; W18-I58 HydrophobicContact CG-CD1 3.87Å; W18-I58 HydrophobicContact CG-CG2 4.39Å; W18-I58 HydrophobicContact CH2-CG1 4.24Å; W18-I58 HydrophobicContact CZ2-CD1 4.3Å; W18-I58 HydrophobicContact CZ2-CG1 3.79Å; W18-I58 HydrophobicContact CZ3-CD1 4.4Å; I46-I58 HydrophobicContact CD1-CD1 4.42Å; I46-I58 HydrophobicContact CG2-CB 3.99Å; I46-I58 HydrophobicContact CG2-CD1 4.21Å; I46-I58 HydrophobicContact CG2-CG2 3.91Å; D47-I58 CarbonylContact O-C 3.59Å; D47-I58 VanDerWaalsContact O-CA 3.29Å; D47-I58 WeakPolarHBondContact O-CA 3.31Å; F48-I58 HydrophobicContact CD1-CG2 3.6Å; F48-I58 HydrophobicContact CD2-CG2 4.43Å; F48-I58 HydrophobicContact CE1-CG2 3.56Å; F48-I58 HydrophobicContact CE2-CG2 4.41Å; F48-I58 HydrophobicContact CG-CG2 4.06Å; F48-I58 HydrophobicContact CZ-CG2 3.99Å |
| 59 | A | 94.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V2 I46 D47 L49 | V2-A59 HydrophobicContact CG2-CB 4.34Å; I46-A59 WeakPolarHBondContact CA-O 3.48Å; D47-A59 PolarHBondContact N-O 3.49Å; D47-A59 PolarHBondContact O-N 2.62Å; L49-A59 HydrophobicContact CD2-CB 3.96Å; L49-A59 HydrophobicContact CG-CB 4.36Å |
| 60 | L | 94.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 61.4 Ų | 61.4 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.6 | 173.6 | -171.2 | 66.7 | 0 | 0 | 0 | 109.8 | M1 R45 I46 V63 D67 | M1-L60 PolarHBondContact N-O 2.85Å; M1-L60 PolarHBondContact O-N 2.55Å; R45-L60 HydrophobicContact CB-CD1 4.02Å; R45-L60 CarbonylContact O-C 3.59Å; R45-L60 VanDerWaalsContact O-CA 3.31Å; R45-L60 WeakPolarHBondContact O-CA 3Å; I46-L60 HydrophobicContact CD1-CD1 4.41Å; I46-L60 HydrophobicContact CG1-CD1 3.66Å; L60-V63 HydrophobicContact CB-CG2 4.29Å; L60-V63 HydrophobicContact CD2-CG2 4.12Å; L60-V63 HydrophobicContact CG-CG2 4.07Å; L60-V63 WeakPolarHBondContact O-CG2 3.48Å; L60-D67 HydrophobicContact CD2-CB 3.89Å |
| 61 | K | 93.6 | Very high | 90.3 | Very high | 106 Ų | 106 | 54.8 Ų | 54.8 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -94.6 | 151.8 | 176.5 | -65.7 | 171.7 | 171.4 | 167.5 | 0 | 110.6 | R45 D47 V63 | R45-K61 PolarHBondContact O-N 3.46Å; D47-K61 WeakPolarHBondContact OD2-CE 3.4Å; D47-K61 IonicContact OD2-NZ 2.6Å; D47-K61 PolarHBondContact OD2-NZ 3.49Å; K61-V63 PolarHBondContact O-N 2.89Å |
| 62 | N | 90.9 | Very high | 90.6 | Very high | 133 Ų | 133 | 52.2 Ų | 52.2 | 71% | 0.711 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 51.1 | 56.6 | -179.5 | -59.2 | -16.5 | 0 | 0 | 0 | 111.5 | R45 | R45-N62 PolarHBondContact NH2-O 2.75Š|
| 63 | V | 90.3 | Very high | 91 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 40% | 0.4 | 26% | 0.263 | S | S | . | . | trans | -69.3 | 135.6 | 179.4 | -174.2 | 0 | 0 | 0 | 0 | 109 | M1 L60 K61 D67 | M1-V63 HydrophobicContact CB-CG2 3.81Å; L60-V63 HydrophobicContact CB-CG2 4.29Å; L60-V63 HydrophobicContact CD2-CG2 4.12Å; L60-V63 HydrophobicContact CG-CG2 4.07Å; L60-V63 WeakPolarHBondContact O-CG2 3.48Å; K61-V63 PolarHBondContact O-N 2.89Å; V63-D67 HydrophobicContact CG1-CB 4.13Å | ||
| 64 | T | 89.1 | Confident | 91.3 | Very high | 69 Ų | 69 | 44.4 Ų | 44.4 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | trans | -134 | 171.5 | -179.1 | 66.1 | 0 | 0 | 0 | 0 | 109.4 | Q66 D67 | T64-Q66 PolarHBondContact O-N 3.23Å; T64-Q66 VanDerWaalsContact O-N 3.08Å; T64-Q66 PolarHBondContact OG1-N 2.92Å; T64-D67 PolarHBondContact N-OD2 2.92Å; T64-D67 WeakPolarHBondContact O-CB 3.46Å; T64-D67 PolarHBondContact O-N 2.84Å; T64-D67 PolarHBondContact OG1-OD2 2.84Å | ||
| 65 | H | 87.9 | Confident | 91.6 | Very high | 134 Ų | 134 | 44 Ų | 44 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -58.9 | -22.7 | 175.4 | -64.7 | -114.1 | 0 | 0 | 0 | 113 | D67 I68 D91 | H65-D67 PolarHBondContact O-N 2.83Å; H65-I68 HydrophobicContact CB-CD1 4.14Å; H65-I68 WeakPolarHBondContact O-CB 3.3Å; H65-I68 WeakPolarHBondContact O-CD1 3.38Å; H65-I68 WeakPolarHBondContact O-CG1 3.48Å; H65-I68 PolarHBondContact O-N 3.26Å; H65-D91 IonicContact CE1-OD2 2.75Å; H65-D91 PolarHBondContact CE1-OD2 3.2Å; H65-D91 IonicContact ND1-OD2 3.49Å; H65-D91 PolarHBondContact ND1-OD2 3.49Å; H65-D91 IonicContact NE2-OD2 3.21Å |
| 66 | Q | 86.6 | Confident | 91.6 | Very high | 165 Ų | 165 | 47.1 Ų | 47.1 | 77% | 0.771 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -69 | -18 | 175.5 | -64.9 | -177.1 | -6 | 0 | 0 | 112.8 | K20 T64 I68 | K20-Q66 PolarHBondContact NZ-O 3.41Å; T64-Q66 PolarHBondContact O-N 3.23Å; T64-Q66 VanDerWaalsContact O-N 3.08Å; T64-Q66 PolarHBondContact OG1-N 2.92Å; Q66-I68 VanDerWaalsContact C-N 3.33Å |
| 67 | D | 89.2 | Confident | 91.4 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -87.8 | -4.5 | 179.7 | -53.3 | -66.9 | 0 | 0 | 0 | 112.9 | R45 L60 V63 T64 H65 Y71 | R45-D67 IonicContact CZ-OD1 3.3Å; R45-D67 VanDerWaalsContact CZ-OD1 3.3Å; R45-D67 IonicContact CZ-OD2 3.68Å; R45-D67 IonicContact NH1-OD1 2.83Å; R45-D67 PolarHBondContact NH1-OD1 2.9Å; R45-D67 IonicContact NH1-OD2 3.86Å; R45-D67 IonicContact NH2-OD1 2.94Å; R45-D67 PolarHBondContact NH2-OD1 2.81Å; R45-D67 IonicContact NH2-OD2 2.64Å; R45-D67 PolarHBondContact NH2-OD2 2.83Å; L60-D67 HydrophobicContact CD2-CB 3.89Å; V63-D67 HydrophobicContact CG1-CB 4.13Å; T64-D67 PolarHBondContact N-OD2 2.92Å; T64-D67 WeakPolarHBondContact O-CB 3.46Å; T64-D67 PolarHBondContact O-N 2.84Å; T64-D67 PolarHBondContact OG1-OD2 2.84Å; H65-D67 PolarHBondContact O-N 2.83Å; D67-Y71 WeakPolarHBondContact CA-OH 3.37Å; D67-Y71 WeakPolarHBondContact O-CE2 3.36Å; D67-Y71 VanDerWaalsContact O-CZ 3.32Å; D67-Y71 PolarHBondContact O-OH 2.94Å |
| 68 | I | 89.1 | Confident | 90.8 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 33% | 0.328 | 27% | 0.274 | S | S | . | . | trans | -60.6 | 141.4 | 169.8 | -64.4 | 170.6 | 0 | 0 | 0 | 109 | H65 Q66 V89 D91 | H65-I68 HydrophobicContact CB-CD1 4.14Å; H65-I68 WeakPolarHBondContact O-CB 3.3Å; H65-I68 WeakPolarHBondContact O-CD1 3.38Å; H65-I68 WeakPolarHBondContact O-CG1 3.48Å; H65-I68 PolarHBondContact O-N 3.26Å; Q66-I68 VanDerWaalsContact C-N 3.33Å; I68-V89 WeakPolarHBondContact CA-O 3.41Å; I68-V89 VanDerWaalsContact CG2-O 3.24Å; I68-V89 WeakPolarHBondContact CG2-O 3.21Å; I68-D91 HydrophobicContact CD1-CB 3.88Å | ||
| 69 | G | 89.9 | Confident | 90.2 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.2 | -173 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y71 V89 | G69-Y71 WeakPolarHBondContact O-CD2 3.29Å; G69-V89 PolarHBondContact N-O 2.64Å; G69-V89 PolarHBondContact O-N 2.88Å |
| 70 | L | 90.1 | Very high | 89.2 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122 | -175.7 | -174 | 66.5 | 0 | 0 | 0 | 111.3 | V21 D86 F87 | V21-L70 HydrophobicContact CB-CB 4.31Å; V21-L70 HydrophobicContact CG2-CB 4.43Å; V21-L70 HydrophobicContact CG2-CD2 4.2Å; V21-L70 HydrophobicContact CG2-CG 4.43Å; V21-L70 PolarHBondContact N-O 2.83Å; L70-D86 HydrophobicContact CD1-CB 4.15Å; L70-F87 WeakPolarHBondContact CA-O 3.45Å |
| 71 | Y | 93.5 | Very high | 88.4 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 137.5 | 175 | -65.3 | -101.9 | 0 | 0 | 0 | 110 | L3 T19 K20 I27 D67 G69 D86 F87 V89 | L3-Y71 HydrophobicContact CD1-CD1 4.12Å; L3-Y71 HydrophobicContact CD1-CD2 4.36Å; L3-Y71 HydrophobicContact CD1-CG 3.98Å; T19-Y71 WeakPolarHBondContact O-CA 3.37Å; K20-Y71 HydrophobicContact CB-CD1 4.06Å; K20-Y71 HydrophobicContact CB-CE1 4.02Å; K20-Y71 HydrophobicContact CD-CE1 3.77Å; K20-Y71 HydrophobicContact CD-CE2 4.39Å; K20-Y71 WeakPolarHBondContact CE-OH 3.49Å; K20-Y71 HydrophobicContact CG-CD1 4.12Å; K20-Y71 HydrophobicContact CG-CE1 3.83Å; K20-Y71 HydrophobicContact CG-CE2 4.37Å; K20-Y71 PolarHBondContact NZ-OH 2.87Å; I27-Y71 HydrophobicContact CD1-CD1 3.65Å; I27-Y71 HydrophobicContact CD1-CE1 3.63Å; D67-Y71 WeakPolarHBondContact CA-OH 3.37Å; D67-Y71 WeakPolarHBondContact O-CE2 3.36Å; D67-Y71 VanDerWaalsContact O-CZ 3.32Å; D67-Y71 PolarHBondContact O-OH 2.94Å; G69-Y71 WeakPolarHBondContact O-CD2 3.29Å; Y71-D86 CarbonylContact O-C 3.52Å; Y71-D86 WeakPolarHBondContact O-CA 3.34Å; Y71-F87 PolarHBondContact N-O 2.85Å; Y71-F87 PolarHBondContact O-N 2.8Å; Y71-V89 HydrophobicContact CD2-CB 4.4Å; Y71-V89 HydrophobicContact CD2-CG2 3.62Å; Y71-V89 HydrophobicContact CE2-CB 4.04Å; Y71-V89 HydrophobicContact CE2-CG2 3.55Å |
| 72 | H | 92 | Very high | 88 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.5 | 177.1 | -176.5 | 86.9 | 0 | 0 | 0 | 109.2 | W18 T19 T84 D86 | W18-H72 WeakPolarHBondContact CA-O 3.45Å; T19-H72 PolarHBondContact N-O 3.08Å; T19-H72 PolarHBondContact O-N 2.98Å; T19-H72 WeakPolarHBondContact OG1-CB 3.39Å; H72-T84 WeakPolarHBondContact NE2-CG2 3.4Å; H72-D86 IonicContact CE1-OD1 3.7Å; H72-D86 IonicContact CG-OD1 3.34Å; H72-D86 IonicContact ND1-OD1 2.69Å; H72-D86 PolarHBondContact ND1-OD1 2.93Å |
| 73 | C | 94 | Very high | 87.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.6 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | C5 W18 T84 K85 F87 | C5-C73 HydrophobicContact CB-CB 3.82Å; C5-C73 WeakPolarHBondContact CB-SG 3.47Å; C5-C73 WeakPolarHBondContact SG-CB 3.43Å; C5-C73 CovalentContact SG-SG 2.02Å; C5-C73 PolarHBondContact SG-SG 3.48Å; W18-C73 HydrophobicContact CD2-CB 4Å; W18-C73 HydrophobicContact CE3-CB 3.97Å; W18-C73 HydrophobicContact CH2-CB 3.7Å; W18-C73 HydrophobicContact CZ2-CB 3.73Å; W18-C73 HydrophobicContact CZ3-CB 3.82Å; C73-T84 CarbonylContact O-C 3.37Å; C73-T84 WeakPolarHBondContact O-CA 3.24Å; C73-K85 WeakPolarHBondContact CB-O 3.46Å; C73-K85 PolarHBondContact N-O 3.15Å; C73-K85 PolarHBondContact O-N 2.75Å; C73-F87 HydrophobicContact CB-CE2 3.98Å |
| 74 | S | 92.4 | Very high | 87.6 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 116.6 | 173.2 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | V16 S17 Q76 W83 | V16-S74 CarbonylContact C-O 3.6Å; V16-S74 VanDerWaalsContact CA-O 3.29Å; V16-S74 WeakPolarHBondContact CA-O 3.31Å; S17-S74 PolarHBondContact N-O 3.1Å; S17-S74 PolarHBondContact O-N 2.79Å; S74-Q76 PolarHBondContact OG-NE2 3.36Å; S74-Q76 VanDerWaalsContact OG-NE2 3.15Å; S74-W83 CarbonylContact C-O 3.52Å |
| 75 | V | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 108.8 | 177.1 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | C7 L13 V16 T77 P82 W83 | C7-V75 HydrophobicContact CB-CB 4.43Å; C7-V75 HydrophobicContact CB-CG1 4.05Å; L13-V75 HydrophobicContact CD1-CG1 3.41Å; L13-V75 VanDerWaalsContact CD1-CG1 3.41Å; V16-V75 HydrophobicContact CG1-CG2 4.3Å; V16-V75 HydrophobicContact CG2-CG1 4.28Å; V16-V75 HydrophobicContact CG2-CG2 4.39Å; V75-T77 HydrophobicContact CG1-CG2 3.86Å; V75-P82 CarbonylContact O-C 3.52Å; V75-P82 WeakPolarHBondContact O-CA 3.49Å; V75-W83 HydrophobicContact CB-CB 4.47Å; V75-W83 HydrophobicContact CB-CE3 4.13Å; V75-W83 HydrophobicContact CG2-CE3 3.81Å; V75-W83 HydrophobicContact CG2-CZ3 4.21Å; V75-W83 PolarHBondContact N-O 2.9Å; V75-W83 PolarHBondContact O-N 2.7Å |
| 76 | Q | 91.1 | Very high | 87.4 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 33% | 0.327 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 116.8 | 177.9 | -59.9 | -65.9 | -31.7 | 0 | 0 | 109.5 | S14 M15 S74 | S14-Q76 PolarHBondContact N-O 3.09Å; M15-Q76 HydrophobicContact CB-CB 4.1Å; M15-Q76 HydrophobicContact CB-CG 4.12Å; M15-Q76 WeakPolarHBondContact O-CB 3.46Å; M15-Q76 PolarHBondContact O-N 2.97Å; S74-Q76 PolarHBondContact OG-NE2 3.36Å; S74-Q76 VanDerWaalsContact OG-NE2 3.15Å |
| 77 | T | 87.9 | Confident | 87.5 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.4 | -176.6 | 79 | 0 | 0 | 0 | 0 | 111.4 | W9 Q12 M54 V75 G81 | W9-T77 PolarHBondContact NE1-OG1 2.97Å; Q12-T77 WeakPolarHBondContact O-CA 3.41Å; M54-T77 HydrophobicContact CE-CG2 3.22Å; V75-T77 HydrophobicContact CG1-CG2 3.86Å; T77-G81 WeakPolarHBondContact CA-O 3.43Å; T77-G81 WeakPolarHBondContact CB-O 2.99Å; T77-G81 PolarHBondContact N-O 3.17Å; T77-G81 CarbonylContact O-C 3.46Å; T77-G81 WeakPolarHBondContact O-CA 3.04Å; T77-G81 PolarHBondContact O-N 2.89Å; T77-G81 PolarHBondContact OG1-O 2.02Å |
| 78 | F | 82.3 | Confident | 87.5 | Confident | 137 Ų | 137 | 52 Ų | 52 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.7 | 171.6 | -176.7 | -92 | 0 | 0 | 0 | 109.9 | Q12 | Q12-F78 PolarHBondContact N-O 3.07Å; Q12-F78 PolarHBondContact O-N 2.94Å |
| 79 | P | 82.3 | Confident | 87.4 | Confident | 94 Ų | 94 | 49.5 Ų | 49.5 | 61% | 0.61 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.5 | -6.6 | 2.4 | 34.4 | -36.2 | 0 | 0 | 0 | 115.2 | G81 | P79-G81 VanDerWaalsContact C-N 3.29Å; P79-G81 PolarHBondContact O-N 2.8Å |
| 80 | Q | 73.9 | Confident | 87.3 | Confident | 89 Ų | 89 | 55 Ų | 55 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -12 | -166.5 | -55.8 | -64.2 | 40 | 0 | 0 | 115.3 | W9 | W9-Q80 HydrophobicContact CZ2-CB 4.41Š|
| 81 | G | 79 | Confident | 86.9 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.8 | -164.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T77 P79 | T77-G81 WeakPolarHBondContact CA-O 3.43Å; T77-G81 WeakPolarHBondContact CB-O 2.99Å; T77-G81 PolarHBondContact N-O 3.17Å; T77-G81 CarbonylContact O-C 3.46Å; T77-G81 WeakPolarHBondContact O-CA 3.04Å; T77-G81 PolarHBondContact O-N 2.89Å; T77-G81 PolarHBondContact OG1-O 2.02Å; P79-G81 VanDerWaalsContact C-N 3.29Å; P79-G81 PolarHBondContact O-N 2.8Å |
| 82 | P | 83.8 | Confident | 85.9 | Confident | 76 Ų | 76 | 62 Ų | 62 | 49% | 0.494 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132 | -177.1 | 28.3 | -32.4 | 0 | 0 | 0 | 112.2 | V75 | V75-P82 CarbonylContact O-C 3.52Å; V75-P82 WeakPolarHBondContact O-CA 3.49Å |
| 83 | W | 84.7 | Confident | 84.8 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 11% | 0.106 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.2 | 165.4 | -177.5 | 74.1 | 0 | 0 | 0 | 109.5 | C5 V6 C7 W9 S74 V75 K85 | C5-W83 WeakPolarHBondContact SG-CZ3 3.41Å; V6-W83 WeakPolarHBondContact O-CH2 3.45Å; V6-W83 WeakPolarHBondContact O-CZ3 3.17Å; C7-W83 HydrophobicContact CB-CD2 4.13Å; C7-W83 HydrophobicContact CB-CE3 3.81Å; C7-W83 HydrophobicContact CB-CG 4.46Å; C7-W83 HydrophobicContact CB-CZ3 4.31Å; W9-W83 HydrophobicContact CH2-CB 4.03Å; W9-W83 AromaticContact CH2-CD1 3.34Å; W9-W83 HydrophobicContact CH2-CG 4Å; W9-W83 HydrophobicContact CZ2-CB 3.62Å; W9-W83 AromaticContact CZ2-CD1 3.82Å; W9-W83 HydrophobicContact CZ2-CG 4.02Å; W9-W83 AromaticContact CZ3-CD1 3.78Å; S74-W83 CarbonylContact C-O 3.52Å; V75-W83 HydrophobicContact CB-CB 4.47Å; V75-W83 HydrophobicContact CB-CE3 4.13Å; V75-W83 HydrophobicContact CG2-CE3 3.81Å; V75-W83 HydrophobicContact CG2-CZ3 4.21Å; V75-W83 PolarHBondContact N-O 2.9Å; V75-W83 PolarHBondContact O-N 2.7Å; W83-K85 HydrophobicContact CH2-CB 3.93Å; W83-K85 HydrophobicContact CH2-CD 3.67Å; W83-K85 HydrophobicContact CH2-CG 4.42Å; W83-K85 HydrophobicContact CZ2-CB 4.26Å; W83-K85 HydrophobicContact CZ2-CD 4.15Å; W83-K85 HydrophobicContact CZ3-CB 4.25Å |
| 84 | T | 87.6 | Confident | 82.8 | Confident | 65 Ų | 65 | 71.2 Ų | 71.2 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.8 | -177.7 | 51.8 | 0 | 0 | 0 | 0 | 112 | H72 C73 | H72-T84 WeakPolarHBondContact NE2-CG2 3.4Å; C73-T84 CarbonylContact O-C 3.37Å; C73-T84 WeakPolarHBondContact O-CA 3.24Å |
| 85 | K | 86 | Confident | 81.1 | Confident | 64 Ų | 64 | 75.4 Ų | 75.4 | 28% | 0.278 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 132.6 | 178.5 | -175.6 | 174.7 | 171.9 | -171.2 | 0 | 111.8 | A4 C73 W83 F87 | A4-K85 PolarHBondContact O-NZ 2.74Å; C73-K85 WeakPolarHBondContact CB-O 3.46Å; C73-K85 PolarHBondContact N-O 3.15Å; C73-K85 PolarHBondContact O-N 2.75Å; W83-K85 HydrophobicContact CH2-CB 3.93Å; W83-K85 HydrophobicContact CH2-CD 3.67Å; W83-K85 HydrophobicContact CH2-CG 4.42Å; W83-K85 HydrophobicContact CZ2-CB 4.26Å; W83-K85 HydrophobicContact CZ2-CD 4.15Å; W83-K85 HydrophobicContact CZ3-CB 4.25Å; K85-F87 HydrophobicContact CB-CE2 4.06Å; K85-F87 HydrophobicContact CB-CZ 4.45Å; K85-F87 HydrophobicContact CD-CE1 4.23Å; K85-F87 HydrophobicContact CD-CE2 3.97Å; K85-F87 HydrophobicContact CD-CZ 3.53Å; K85-F87 VanDerWaalsContact CE-CZ 3.46Å; K85-F87 HydrophobicContact CG-CD2 4.47Å; K85-F87 HydrophobicContact CG-CE2 3.73Å; K85-F87 HydrophobicContact CG-CZ 3.81Å |
| 86 | D | 87.9 | Confident | 79.2 | Confident | 88 Ų | 88 | 80.9 Ų | 80.9 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 147.3 | 178.2 | -68.1 | -37.3 | 0 | 0 | 0 | 112.7 | L70 Y71 H72 | L70-D86 HydrophobicContact CD1-CB 4.15Å; Y71-D86 CarbonylContact O-C 3.52Å; Y71-D86 WeakPolarHBondContact O-CA 3.34Å; H72-D86 IonicContact CE1-OD1 3.7Å; H72-D86 IonicContact CG-OD1 3.34Å; H72-D86 IonicContact ND1-OD1 2.69Å; H72-D86 PolarHBondContact ND1-OD1 2.93Å |
| 87 | F | 87.6 | Confident | 77.2 | Confident | 30 Ų | 30 | 84.6 Ų | 84.6 | 13% | 0.132 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 118.9 | 178.4 | -58.2 | -100.4 | 0 | 0 | 0 | 110.2 | L3 A4 C5 W18 L70 Y71 C73 K85 | L3-F87 HydrophobicContact CB-CD1 4.39Å; L3-F87 HydrophobicContact CB-CE1 4.48Å; L3-F87 HydrophobicContact CD2-CB 4.25Å; L3-F87 HydrophobicContact CD2-CD1 4.24Å; L3-F87 HydrophobicContact CD2-CG 4.39Å; A4-F87 WeakPolarHBondContact O-CE1 3.16Å; A4-F87 WeakPolarHBondContact O-CZ 3.28Å; C5-F87 HydrophobicContact CB-CE2 4.22Å; C5-F87 HydrophobicContact CB-CZ 4.04Å; W18-F87 AromaticContact CH2-CD2 3.66Å; W18-F87 HydrophobicContact CH2-CD2 3.66Å; W18-F87 AromaticContact CH2-CE2 3.36Å; W18-F87 HydrophobicContact CH2-CE2 3.36Å; W18-F87 HydrophobicContact CH2-CG 4.45Å; W18-F87 AromaticContact CH2-CZ 3.91Å; W18-F87 HydrophobicContact CH2-CZ 3.91Å; W18-F87 HydrophobicContact CZ2-CE2 4.38Å; W18-F87 AromaticContact CZ3-CD2 3.61Å; W18-F87 HydrophobicContact CZ3-CD2 3.61Å; W18-F87 AromaticContact CZ3-CE2 3.78Å; W18-F87 HydrophobicContact CZ3-CE2 3.78Å; W18-F87 HydrophobicContact CZ3-CG 4.42Å; L70-F87 WeakPolarHBondContact CA-O 3.45Å; Y71-F87 PolarHBondContact N-O 2.85Å; Y71-F87 PolarHBondContact O-N 2.8Å; C73-F87 HydrophobicContact CB-CE2 3.98Å; K85-F87 HydrophobicContact CB-CE2 4.06Å; K85-F87 HydrophobicContact CB-CZ 4.45Å; K85-F87 HydrophobicContact CD-CE1 4.23Å; K85-F87 HydrophobicContact CD-CE2 3.97Å; K85-F87 HydrophobicContact CD-CZ 3.53Å; K85-F87 VanDerWaalsContact CE-CZ 3.46Å; K85-F87 HydrophobicContact CG-CD2 4.47Å; K85-F87 HydrophobicContact CG-CE2 3.73Å; K85-F87 HydrophobicContact CG-CZ 3.81Å |
| 88 | Q | 89.5 | Confident | 75.2 | Confident | 111 Ų | 111 | 91.9 Ų | 91.9 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.2 | 171.9 | -178.2 | 66.5 | 8.9 | 0 | 0 | 108.8 | E90 | Q88-E90 HydrophobicContact CG-CG 4.02Å; Q88-E90 VanDerWaalsContact CG-OE1 3.24Å; Q88-E90 WeakPolarHBondContact CG-OE1 3.4Å; Q88-E90 PolarHBondContact NE2-OE1 3.02Å; Q88-E90 VanDerWaalsContact NE2-OE1 3.08Å |
| 89 | V | 88.4 | Confident | 73.4 | Confident | 10 Ų | 10 | 91.5 Ų | 91.5 | 6% | 0.061 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.8 | 177.1 | -180 | 0 | 0 | 0 | 0 | 108.5 | M1 L3 I68 G69 Y71 | M1-V89 HydrophobicContact CE-CB 4.42Å; M1-V89 HydrophobicContact CE-CG1 4.03Å; M1-V89 HydrophobicContact CE-CG2 3.8Å; M1-V89 HydrophobicContact SD-CG1 3.86Å; M1-V89 HydrophobicContact SD-CG2 4.16Å; L3-V89 HydrophobicContact CD2-CG2 4.13Å; I68-V89 WeakPolarHBondContact CA-O 3.41Å; I68-V89 VanDerWaalsContact CG2-O 3.24Å; I68-V89 WeakPolarHBondContact CG2-O 3.21Å; G69-V89 PolarHBondContact N-O 2.64Å; G69-V89 PolarHBondContact O-N 2.88Å; Y71-V89 HydrophobicContact CD2-CB 4.4Å; Y71-V89 HydrophobicContact CD2-CG2 3.62Å; Y71-V89 HydrophobicContact CE2-CB 4.04Å; Y71-V89 HydrophobicContact CE2-CG2 3.55Å |
| 90 | E | 86.9 | Confident | 72.1 | Confident | 134 Ų | 134 | 93.7 Ų | 93.7 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | trans | -127.2 | 157.1 | -178.1 | -70.6 | 173.7 | -178.1 | 0 | 0 | 110.7 | Q88 | Q88-E90 HydrophobicContact CG-CG 4.02Å; Q88-E90 VanDerWaalsContact CG-OE1 3.24Å; Q88-E90 WeakPolarHBondContact CG-OE1 3.4Å; Q88-E90 PolarHBondContact NE2-OE1 3.02Å; Q88-E90 VanDerWaalsContact NE2-OE1 3.08Å | ||
| 91 | D | 82.4 | Confident | 71 | Confident | 45 Ų | 45 | 96.4 Ų | 96.4 | 24% | 0.241 | 52% | 0.516 | C | S | . | . | trans | -79.7 | 131.5 | 172.4 | -161.9 | -14.8 | 0 | 0 | 0 | 109.8 | H65 I68 D93 E94 | H65-D91 IonicContact CE1-OD2 2.75Å; H65-D91 PolarHBondContact CE1-OD2 3.2Å; H65-D91 IonicContact ND1-OD2 3.49Å; H65-D91 PolarHBondContact ND1-OD2 3.49Å; H65-D91 IonicContact NE2-OD2 3.21Å; I68-D91 HydrophobicContact CD1-CB 3.88Å; D91-D93 PolarHBondContact OD1-N 2.95Å; D91-E94 HydrophobicContact CB-CB 4.31Å | ||
| 92 | L | 72 | Confident | 69.5 | Low | 166 Ų | 166 | 101 Ų | 101 | 87% | 0.869 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -94.8 | -13.4 | 178.7 | -65.8 | 175.6 | 0 | 0 | 0 | 112.5 | ||
| 93 | D | 68 | Low | 67.3 | Low | 151 Ų | 151 | 105.1 Ų | 105.1 | 81% | 0.807 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -91.9 | -13.2 | -178.5 | -69.5 | -32.7 | 0 | 0 | 0 | 112.4 | D91 P95 | D91-D93 PolarHBondContact OD1-N 2.95Å; D93-P95 VanDerWaalsContact O-CD 3.26Å; D93-P95 WeakPolarHBondContact O-CD 3.47Å |
| 94 | E | 53.4 | Low | 65.2 | Low | 97 Ų | 97 | 108.6 Ų | 108.6 | 45% | 0.453 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -84.6 | 109.7 | 174.5 | -165.1 | 164 | -163.7 | 0 | 0 | 109.3 | D91 | D91-E94 HydrophobicContact CB-CB 4.31Š|
| 95 | P | 54.9 | Low | 63.1 | Low | 100 Ų | 100 | 110.9 Ų | 110.9 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | trans | -57.8 | 141.1 | 166.2 | 26.4 | -31.9 | 0 | 0 | 0 | 107.4 | D93 E97 | D93-P95 VanDerWaalsContact O-CD 3.26Å; D93-P95 WeakPolarHBondContact O-CD 3.47Å; P95-E97 PolarHBondContact O-N 3.22Å | ||
| 96 | P | 52.7 | Low | 60.8 | Low | 114 Ų | 114 | 111.8 Ų | 111.8 | 74% | 0.74 | 61% | 0.607 | S | S | * | * | trans | -51 | 116 | -177.5 | 21.3 | -32.2 | 0 | 0 | 0 | 108.1 | D98 | P96-D98 PolarHBondContact O-N 2.64Š| ||
| 97 | E | 49.2 | Very low | 59 | Low | 149 Ų | 149 | 113.3 Ų | 113.3 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | trans | -60 | 109.4 | 173.7 | -71.1 | -160.2 | 146.3 | 0 | 0 | 105.9 | P95 N99 | P95-E97 PolarHBondContact O-N 3.22Å; E97-N99 PolarHBondContact O-N 3.01Å | ||
| 98 | D | 46.7 | Very low | 57.3 | Low | 161 Ų | 161 | 120 Ų | 120 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | trans | -63.6 | 70.9 | 167.5 | -75.8 | -37.3 | 0 | 0 | 0 | 108 | P96 N100 | P96-D98 PolarHBondContact O-N 2.64Å; D98-N100 VanDerWaalsContact C-N 3.27Å; D98-N100 PolarHBondContact O-N 2.9Å | ||
| 99 | N | 43.8 | Very low | 55.5 | Low | 129 Ų | 129 | 122.5 Ų | 122.5 | 69% | 0.69 | 67% | 0.665 | S | S | * | * | trans | -78.2 | 90.4 | 170.9 | -157.5 | 2.9 | 0 | 0 | 0 | 107.4 | E97 N101 | E97-N99 PolarHBondContact O-N 3.01Å; N99-N101 PolarHBondContact O-N 3.25Å; N99-N101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | N | 56.2 | Low | 54.2 | Low | 139 Ų | 139 | 124.6 Ų | 124.6 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.7 | 112.9 | 167.8 | -135.2 | -10.5 | 0 | 0 | 0 | 109.6 | D98 | D98-N100 VanDerWaalsContact C-N 3.27Å; D98-N100 PolarHBondContact O-N 2.9Å |
| 101 | N | 50.8 | Low | 53.3 | Low | 147 Ų | 147 | 122.9 Ų | 122.9 | 79% | 0.786 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.9 | 43.5 | 176.1 | -50.4 | -35.8 | 0 | 0 | 0 | 119 | N99 | N99-N101 PolarHBondContact O-N 3.25Å; N99-N101 VanDerWaalsContact O-N 3.09Å |
| 102 | T | 46.8 | Very low | 53.2 | Low | 118 Ų | 118 | 123.7 Ų | 123.7 | 72% | 0.724 | 68% | 0.683 | S | S | * | * | trans | -144.1 | 103.6 | 132.1 | -59.7 | 0 | 0 | 0 | 0 | 106.3 | P104 | T102-P104 VanDerWaalsContact O-CD 3.28Å; T102-P104 WeakPolarHBondContact O-CD 3.09Å | ||
| 103 | E | 37.7 | Very low | 53.7 | Low | 162 Ų | 162 | 120.3 Ų | 120.3 | 76% | 0.757 | 67% | 0.666 | S | S | * | * | trans | -45.8 | 116.4 | 167 | -174.2 | 165.9 | 176.1 | 0 | 0 | 107.2 | ||||
| 104 | P | 41.5 | Very low | 54.5 | Low | 101 Ų | 101 | 115.6 Ų | 115.6 | 66% | 0.656 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 130.1 | 165.9 | -18.9 | 29.6 | 0 | 0 | 0 | 105.3 | T102 | T102-P104 VanDerWaalsContact O-CD 3.28Å; T102-P104 WeakPolarHBondContact O-CD 3.09Å |
| 105 | P | 42.4 | Very low | 56.2 | Low | 112 Ų | 112 | 115.8 Ų | 115.8 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 126.4 | 169.4 | 21.7 | -30.2 | 0 | 0 | 0 | 105.4 | ||
| 106 | P | 38.3 | Very low | 57.8 | Low | 84 Ų | 84 | 112.8 Ų | 112.8 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -46.6 | 133.2 | -179.2 | 15.6 | -28.3 | 0 | 0 | 0 | 106.8 | E108 | P106-E108 PolarHBondContact O-N 3.37Š|
| 107 | P | 49.4 | Very low | 59.5 | Low | 119 Ų | 119 | 111.8 Ų | 111.8 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | trans | -46.4 | 115.4 | -176.8 | 18.7 | -31.1 | 0 | 0 | 0 | 106.1 | E109 | P107-E109 VanDerWaalsContact C-N 3.33Å; P107-E109 WeakPolarHBondContact O-CA 3.33Å; P107-E109 PolarHBondContact O-N 2.64Å | ||
| 108 | E | 51.8 | Low | 61.3 | Low | 171 Ų | 171 | 104.9 Ų | 104.9 | 80% | 0.799 | 59% | 0.586 | S | S | * | * | trans | -37.9 | 103.7 | -167 | -82.5 | -176.5 | 162.1 | 0 | 0 | 107.2 | P106 V110 | P106-E108 PolarHBondContact O-N 3.37Å; E108-V110 VanDerWaalsContact C-N 3.28Å; E108-V110 PolarHBondContact O-N 2.8Å | ||
| 109 | E | 51.3 | Low | 63.2 | Low | 164 Ų | 164 | 102.6 Ų | 102.6 | 77% | 0.766 | 57% | 0.57 | S | S | * | * | trans | -64.2 | 106.4 | -177.3 | -82.8 | -169.6 | 166.2 | 0 | 0 | 103.2 | P107 T111 | P107-E109 VanDerWaalsContact C-N 3.33Å; P107-E109 WeakPolarHBondContact O-CA 3.33Å; P107-E109 PolarHBondContact O-N 2.64Å; E109-T111 PolarHBondContact O-N 3.05Å | ||
| 110 | V | 61.5 | Low | 65.3 | Low | 54 Ų | 54 | 99.6 Ų | 99.6 | 33% | 0.327 | 55% | 0.552 | S | S | . | * | trans | -67.5 | 92 | -179.5 | -176.6 | 0 | 0 | 0 | 0 | 105.2 | E108 V112 W150 L196 V211 | E108-V110 VanDerWaalsContact C-N 3.28Å; E108-V110 PolarHBondContact O-N 2.8Å; V110-V112 PolarHBondContact O-N 3.32Å; V110-V112 VanDerWaalsContact O-N 3.08Å; V110-W150 HydrophobicContact CG1-CH2 4.29Å; V110-W150 HydrophobicContact CG1-CZ2 4.18Å; V110-W150 HydrophobicContact CG2-CZ2 4.36Å; V110-L196 HydrophobicContact CB-CD1 4.35Å; V110-L196 HydrophobicContact CG1-CD1 3.99Å; V110-V211 HydrophobicContact CG1-CB 4.21Å; V110-V211 HydrophobicContact CG1-CG1 3.77Å; V110-V211 HydrophobicContact CG1-CG2 3.82Å | ||
| 111 | T | 68 | Low | 66.6 | Low | 97 Ų | 97 | 96.9 Ų | 96.9 | 60% | 0.595 | 54% | 0.544 | S | S | * | . | trans | -66.7 | 110.7 | -179 | 51.1 | 0 | 0 | 0 | 0 | 107.2 | E109 D113 | E109-T111 PolarHBondContact O-N 3.05Å; T111-D113 PolarHBondContact O-N 3.21Å | ||
| 112 | V | 80.4 | Confident | 68.3 | Low | 62 Ų | 62 | 91.6 Ų | 91.6 | 38% | 0.376 | 52% | 0.518 | S | S | . | . | trans | -74.3 | 113.2 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 108 | V110 S114 L196 Q213 | V110-V112 PolarHBondContact O-N 3.32Å; V110-V112 VanDerWaalsContact O-N 3.08Å; V112-S114 VanDerWaalsContact CG1-O 3.25Å; V112-S114 WeakPolarHBondContact CG1-O 3.21Å; V112-L196 HydrophobicContact CG2-CD2 4.02Å; V112-Q213 HydrophobicContact CG1-CB 3.62Å; V112-Q213 HydrophobicContact CG2-CB 4.31Å | ||
| 113 | D | 82.6 | Confident | 70.4 | Confident | 96 Ų | 96 | 91.1 Ų | 91.1 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | trans | -77.5 | -31.8 | 178 | -62.7 | -75.2 | 0 | 0 | 0 | 111.8 | T111 T210 V211 | T111-D113 PolarHBondContact O-N 3.21Å; D113-T210 WeakPolarHBondContact OD2-CA 3.37Å; D113-V211 WeakPolarHBondContact CB-O 2.91Å; D113-V211 PolarHBondContact N-O 3Å; D113-V211 PolarHBondContact OD2-N 3.48Å | ||
| 114 | S | 85.6 | Confident | 72.9 | Confident | 52 Ų | 52 | 84.4 Ų | 84.4 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 145.3 | -178.7 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | V112 V211 V212 Q213 | V112-S114 VanDerWaalsContact CG1-O 3.25Å; V112-S114 WeakPolarHBondContact CG1-O 3.21Å; S114-V211 PolarHBondContact N-O 3.32Å; S114-V212 CarbonylContact O-C 3.5Å; S114-V212 WeakPolarHBondContact O-CA 3.2Å; S114-V212 WeakPolarHBondContact OG-CG2 3.45Å; S114-Q213 PolarHBondContact O-N 3.39Å |
| 115 | E | 88.3 | Confident | 75.3 | Confident | 101 Ų | 101 | 83 Ų | 83 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132 | 174.6 | -171.3 | 178.5 | 177.8 | 0 | 0 | 109.4 | Q213 R215 | E115-Q213 WeakPolarHBondContact CA-O 3.36Å; E115-Q213 HydrophobicContact CG-CB 4.48Å; E115-R215 WeakPolarHBondContact OE1-CD 3.25Å; E115-R215 IonicContact OE1-CZ 3.7Å; E115-R215 IonicContact OE1-NE 3.42Å; E115-R215 PolarHBondContact OE1-NE 2.83Å; E115-R215 IonicContact OE1-NH1 2.82Å; E115-R215 PolarHBondContact OE1-NH1 3.1Å; E115-R215 IonicContact OE1-NH2 2.64Å |
| 116 | V | 89 | Confident | 77.5 | Confident | 37 Ų | 37 | 77.8 Ų | 77.8 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.8 | 179.7 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | L124 V212 Q213 L214 R215 | V116-L124 HydrophobicContact CG1-CD1 3.55Å; V116-L124 HydrophobicContact CG1-CD2 4.03Å; V116-L124 HydrophobicContact CG1-CG 4.38Å; V116-V212 HydrophobicContact CB-CG1 4.3Å; V116-V212 HydrophobicContact CG2-CG1 3.62Å; V116-Q213 PolarHBondContact N-O 3.16Å; V116-L214 HydrophobicContact CB-CD1 4.46Å; V116-L214 HydrophobicContact CG1-CD1 4.26Å; V116-L214 WeakPolarHBondContact O-CA 3.2Å; V116-L214 WeakPolarHBondContact O-CD1 3.12Å; V116-R215 PolarHBondContact O-N 2.94Å |
| 117 | V | 88.8 | Confident | 79.9 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 56% | 0.558 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.9 | 175.9 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | R215 A217 | V117-R215 CarbonylContact C-O 3.59Å; V117-R215 VanDerWaalsContact CA-O 3.26Å; V117-R215 WeakPolarHBondContact CA-O 3.25Å; V117-R215 HydrophobicContact CG2-CB 4.45Å; V117-A217 HydrophobicContact CG1-CB 4.01Å |
| 118 | A | 87.4 | Confident | 81.7 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L124 V189 L214 R215 T216 A217 | A118-L124 HydrophobicContact CB-CB 4.23Å; A118-L124 HydrophobicContact CB-CD1 4.25Å; A118-L124 HydrophobicContact CB-CD2 3.95Å; A118-L124 HydrophobicContact CB-CG 4.35Å; A118-V189 HydrophobicContact CB-CG1 4.21Å; A118-L214 HydrophobicContact CB-CD1 4.12Å; A118-R215 PolarHBondContact N-O 2.85Å; A118-T216 CarbonylContact O-C 3.58Å; A118-T216 VanDerWaalsContact O-CA 3.25Å; A118-T216 WeakPolarHBondContact O-CA 3.26Å; A118-A217 PolarHBondContact O-N 3.14Å |
| 119 | E | 86.5 | Confident | 83.2 | Confident | 112 Ų | 112 | 70.4 Ų | 70.4 | 52% | 0.523 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 142.5 | 170.8 | -64.1 | -175.2 | 173.7 | 0 | 0 | 109.6 | S122 A217 | E119-S122 PolarHBondContact N-OG 3.49Å; E119-S122 VanDerWaalsContact O-CB 3.24Å; E119-S122 WeakPolarHBondContact O-CB 3.29Å; E119-S122 PolarHBondContact O-N 3.49Å; E119-S122 VanDerWaalsContact O-N 3.16Å; E119-S122 PolarHBondContact O-OG 2.86Å; E119-A217 CarbonylContact C-O 3.59Å; E119-A217 WeakPolarHBondContact CA-O 3.26Å |
| 120 | E | 86.2 | Confident | 84.2 | Confident | 67 Ų | 67 | 64 Ų | 64 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 145 | 172.9 | -67.9 | -179.4 | 169.8 | 0 | 0 | 110.5 | S122 V189 A217 | E120-S122 PolarHBondContact O-N 2.82Å; E120-S122 VanDerWaalsContact O-N 3.16Å; E120-V189 CarbonylContact C-O 3.57Å; E120-V189 VanDerWaalsContact CA-O 3.29Å; E120-V189 WeakPolarHBondContact CA-O 2.94Å; E120-A217 PolarHBondContact N-O 2.93Å |
| 121 | S | 84 | Confident | 84.5 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 57% | 0.573 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 6.1 | -174.2 | 70.8 | 0 | 0 | 0 | 0 | 116.2 | D188 V189 | S121-D188 WeakPolarHBondContact CA-OD1 3.2Å; S121-V189 PolarHBondContact N-O 2.75Å |
| 122 | S | 87.7 | Confident | 84.3 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | trans | -83.1 | 168.1 | 172.5 | 75.4 | 0 | 0 | 0 | 0 | 112 | E119 E120 D188 V189 | E119-S122 PolarHBondContact N-OG 3.49Å; E119-S122 VanDerWaalsContact O-CB 3.24Å; E119-S122 WeakPolarHBondContact O-CB 3.29Å; E119-S122 PolarHBondContact O-N 3.49Å; E119-S122 VanDerWaalsContact O-N 3.16Å; E119-S122 PolarHBondContact O-OG 2.86Å; E120-S122 PolarHBondContact O-N 2.82Å; E120-S122 VanDerWaalsContact O-N 3.16Å; S122-D188 PolarHBondContact O-N 3.18Å; S122-V189 WeakPolarHBondContact O-CG2 3.07Å; S122-V189 PolarHBondContact O-N 3.27Å | ||
| 123 | N | 90.4 | Very high | 83.7 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 57% | 0.572 | 39% | 0.394 | S | S | * | . | trans | -96.9 | 130 | 169.5 | -63.9 | -21.4 | 0 | 0 | 0 | 108.7 | L186 T187 | N123-L186 WeakPolarHBondContact CA-O 3.41Å; N123-T187 WeakPolarHBondContact OD1-CA 3.27Å | ||
| 124 | L | 90.1 | Very high | 83.1 | Confident | 21 Ų | 21 | 68.6 Ų | 68.6 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.2 | 179.4 | 176.8 | 67.2 | 0 | 0 | 0 | 110.4 | V116 A118 I126 L186 V189 L214 | V116-L124 HydrophobicContact CG1-CD1 3.55Å; V116-L124 HydrophobicContact CG1-CD2 4.03Å; V116-L124 HydrophobicContact CG1-CG 4.38Å; A118-L124 HydrophobicContact CB-CB 4.23Å; A118-L124 HydrophobicContact CB-CD1 4.25Å; A118-L124 HydrophobicContact CB-CD2 3.95Å; A118-L124 HydrophobicContact CB-CG 4.35Å; L124-I126 HydrophobicContact CD2-CD1 4.25Å; L124-I126 HydrophobicContact CD2-CG1 3.83Å; L124-I126 HydrophobicContact CG-CG1 4.24Å; L124-L186 PolarHBondContact N-O 3.15Å; L124-L186 PolarHBondContact O-N 2.79Å; L124-V189 HydrophobicContact CB-CG2 3.71Å; L124-L214 HydrophobicContact CD2-CD1 3.35Å; L124-L214 HydrophobicContact CD2-CD2 3.94Å; L124-L214 HydrophobicContact CD2-CG 4.3Å |
| 125 | T | 90.9 | Very high | 82.7 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 117 | 166.4 | -54 | 0 | 0 | 0 | 0 | 109.9 | L184 H185 | T125-L184 CarbonylContact C-O 3.52Å; T125-L184 VanDerWaalsContact CA-O 3.26Å; T125-L184 WeakPolarHBondContact CA-O 3.21Å; T125-H185 PolarHBondContact OG1-CD2 2.02Å |
| 126 | I | 89.5 | Confident | 82.4 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115.3 | 172.1 | -58.2 | 177.9 | 0 | 0 | 0 | 107.2 | L124 S183 L184 Y197 V212 L214 | L124-I126 HydrophobicContact CD2-CD1 4.25Å; L124-I126 HydrophobicContact CD2-CG1 3.83Å; L124-I126 HydrophobicContact CG-CG1 4.24Å; I126-S183 CarbonylContact O-C 3.55Å; I126-S183 WeakPolarHBondContact O-CA 3.28Å; I126-L184 HydrophobicContact CB-CB 4.34Å; I126-L184 HydrophobicContact CD1-CD2 4.31Å; I126-L184 PolarHBondContact N-O 2.77Å; I126-L184 PolarHBondContact O-N 2.94Å; I126-Y197 HydrophobicContact CD1-CD1 3.91Å; I126-Y197 HydrophobicContact CD1-CD2 4Å; I126-Y197 HydrophobicContact CD1-CE1 4.06Å; I126-Y197 HydrophobicContact CD1-CE2 4.18Å; I126-Y197 HydrophobicContact CD1-CG 3.88Å; I126-V212 HydrophobicContact CG2-CB 4.21Å; I126-V212 HydrophobicContact CG2-CG1 4.13Å; I126-V212 HydrophobicContact CG2-CG2 4.05Å; I126-L214 HydrophobicContact CD1-CD2 4.35Å |
| 127 | S | 89.3 | Confident | 82 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 49% | 0.49 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123 | 179.6 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 128 | C | 87.5 | Confident | 81.9 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.02 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.6 | 171.7 | -69.7 | 0 | 0 | 0 | 0 | 109.2 | L182 C199 F201 | C128-L182 PolarHBondContact N-O 2.71Å; C128-L182 PolarHBondContact O-N 2.95Å; C128-C199 HydrophobicContact CB-CB 3.51Å; C128-C199 WeakPolarHBondContact CB-SG 3.36Å; C128-C199 WeakPolarHBondContact SG-CB 3.31Å; C128-C199 CovalentContact SG-SG 2.02Å; C128-C199 PolarHBondContact SG-SG 3.25Å; C128-F201 HydrophobicContact CB-CZ 3.85Å |
| 129 | K | 82.8 | Confident | 81.9 | Confident | 147 Ų | 147 | 68.5 Ų | 68.5 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | trans | -113.5 | 138.5 | 178.8 | -64.1 | -175 | -179.2 | -179.3 | 0 | 109.4 | P131 | K129-P131 WeakPolarHBondContact O-CD 3.44Š| ||
| 130 | H | 72.8 | Confident | 82 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | trans | -79 | 122.1 | 176.9 | -174.8 | 64.2 | 0 | 0 | 0 | 110.4 | H132 I136 F201 Q208 | H130-H132 PolarHBondContact CD2-O 3.35Å; H130-H132 PolarHBondContact NE2-O 3.07Å; H130-H132 PolarHBondContact O-N 2.84Å; H130-I136 HydrophobicContact CB-CD1 3.57Å; H130-F201 HydrophobicContact CB-CD1 4.12Å; H130-F201 HydrophobicContact CB-CE1 4.08Å; H130-F201 AromaticContact ND1-CG 3.93Å; H130-Q208 PolarHBondContact CE1-OE1 3.41Å; H130-Q208 PolarHBondContact ND1-OE1 2.93Å | ||
| 131 | P | 67.4 | Low | 82.2 | Confident | 88 Ų | 88 | 61.5 Ų | 61.5 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | trans | -83.6 | 0.6 | -174.6 | 25.8 | -24.8 | 0 | 0 | 0 | 115.2 | K129 | K129-P131 WeakPolarHBondContact O-CD 3.44Š| ||
| 132 | H | 63.9 | Low | 82.5 | Confident | 114 Ų | 114 | 59 Ų | 59 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -127.7 | 166.7 | -170.7 | -68.4 | -73.9 | 0 | 0 | 0 | 115.1 | H130 G134 Q208 | H130-H132 PolarHBondContact CD2-O 3.35Å; H130-H132 PolarHBondContact NE2-O 3.07Å; H130-H132 PolarHBondContact O-N 2.84Å; H132-G134 PolarHBondContact O-N 2.81Å; H132-Q208 PolarHBondContact CD2-NE2 2.91Å; H132-Q208 VanDerWaalsContact CD2-NE2 3.3Å; H132-Q208 PolarHBondContact CD2-OE1 3.28Å; H132-Q208 VanDerWaalsContact CD2-OE1 3.27Å |
| 133 | N | 66.6 | Low | 82.5 | Confident | 171 Ų | 171 | 58.9 Ų | 58.9 | 91% | 0.914 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -84.8 | 106.5 | 173.3 | -81.9 | -15.7 | 0 | 0 | 0 | 109.4 | ||
| 134 | G | 70.4 | Confident | 82.3 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 33% | 0.33 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -167.1 | 160.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | H132 D204 | H132-G134 PolarHBondContact O-N 2.81Å; G134-D204 WeakPolarHBondContact CA-OD1 3.29Å |
| 135 | T | 77.7 | Confident | 81.7 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | trans | -88.7 | 115.5 | 173.2 | -53.6 | 0 | 0 | 0 | 0 | 108.4 | Y137 T203 D204 | T135-Y137 HydrophobicContact CG2-CE1 4.15Å; T135-T203 WeakPolarHBondContact O-CA 3.34Å; T135-D204 PolarHBondContact N-OD1 2.8Å; T135-D204 PolarHBondContact O-N 3.28Å | ||
| 136 | I | 82.2 | Confident | 80.7 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 135.4 | 176.3 | -50.7 | 170.5 | 0 | 0 | 0 | 107.9 | H130 V139 L180 F201 T203 | H130-I136 HydrophobicContact CB-CD1 3.57Å; I136-V139 HydrophobicContact CG2-CG2 3.57Å; I136-L180 VanDerWaalsContact C-CD1 3.49Å; I136-L180 HydrophobicContact CB-CB 4.02Å; I136-L180 HydrophobicContact CB-CD1 3.77Å; I136-L180 HydrophobicContact CD1-CB 4.31Å; I136-L180 HydrophobicContact CG2-CB 3.87Å; I136-L180 HydrophobicContact CG2-CD1 3.9Å; I136-L180 HydrophobicContact CG2-CG 4.46Å; I136-L180 WeakPolarHBondContact O-CD1 3.34Å; I136-F201 HydrophobicContact CD1-CD1 4.19Å; I136-T203 HydrophobicContact CG1-CG2 4.03Å |
| 137 | Y | 80.8 | Confident | 79.6 | Confident | 130 Ų | 130 | 62.1 Ų | 62.1 | 51% | 0.51 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -35.2 | 173.6 | -58.3 | -69.7 | 0 | 0 | 0 | 111.8 | T135 K158 N202 D204 | T135-Y137 HydrophobicContact CG2-CE1 4.15Å; Y137-K158 PolarHBondContact O-N 3.08Å; Y137-K158 VanDerWaalsContact O-N 3.15Å; Y137-N202 PolarHBondContact N-O 2.6Å; Y137-D204 HydrophobicContact CE2-CB 3.96Å |
| 138 | Q | 85.4 | Confident | 78.8 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 143.1 | -176.2 | -176.8 | -178.8 | 27 | 0 | 0 | 110.7 | I140 I155 C156 K157 N202 | Q138-I140 HydrophobicContact CG-CG1 4.17Å; Q138-I155 HydrophobicContact CG-CG2 4.23Å; Q138-C156 CarbonylContact C-O 3.46Å; Q138-C156 WeakPolarHBondContact CA-O 3.38Å; Q138-K157 HydrophobicContact CB-CB 4.47Å; Q138-K157 HydrophobicContact CG-CB 4.22Å; Q138-N202 HydrophobicContact CB-CB 4.24Å; Q138-N202 PolarHBondContact O-N 3.16Å; Q138-N202 PolarHBondContact OE1-ND2 3.05Å |
| 139 | V | 88.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.4 | 170.4 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | I136 I155 C156 L180 L182 T200 F201 | I136-V139 HydrophobicContact CG2-CG2 3.57Å; V139-I155 CarbonylContact O-C 3.57Å; V139-I155 WeakPolarHBondContact O-CA 3.35Å; V139-C156 HydrophobicContact CB-CB 4.37Å; V139-C156 PolarHBondContact N-O 2.85Å; V139-C156 PolarHBondContact O-N 3.27Å; V139-L180 HydrophobicContact CG2-CB 4.22Å; V139-L180 WeakPolarHBondContact CG2-O 3.49Å; V139-L182 HydrophobicContact CB-CD1 4.1Å; V139-L182 HydrophobicContact CG1-CB 3.98Å; V139-L182 HydrophobicContact CG1-CD1 3.75Å; V139-L182 HydrophobicContact CG1-CG 4.49Å; V139-T200 CarbonylContact C-O 3.54Å; V139-T200 WeakPolarHBondContact CA-O 3.25Å; V139-F201 HydrophobicContact CB-CD1 4.28Å; V139-F201 HydrophobicContact CG1-CD1 3.77Å; V139-F201 HydrophobicContact CG1-CE1 3.76Å; V139-F201 HydrophobicContact CG1-CG 4.38Å; V139-F201 HydrophobicContact CG1-CZ 4.37Å; V139-F201 HydrophobicContact CG2-CD1 3.51Å; V139-F201 HydrophobicContact CG2-CE1 3.93Å; V139-F201 HydrophobicContact CG2-CG 4.46Å |
| 140 | I | 88.1 | Confident | 78.3 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.9 | 177.8 | -55.7 | 173.3 | 0 | 0 | 0 | 107.6 | Q138 E142 I152 I155 C199 T200 | Q138-I140 HydrophobicContact CG-CG1 4.17Å; I140-E142 HydrophobicContact CG2-CG 4.08Å; I140-I152 HydrophobicContact CG2-CD1 4.36Å; I140-I152 HydrophobicContact CG2-CG1 4.07Å; I140-I152 HydrophobicContact CG2-CG2 3.99Å; I140-I155 HydrophobicContact CG2-CG1 4.42Å; I140-C199 CarbonylContact O-C 3.5Å; I140-C199 WeakPolarHBondContact O-CA 3.32Å; I140-T200 PolarHBondContact N-O 3.4Å; I140-T200 PolarHBondContact O-N 3.02Å |
| 141 | L | 90.9 | Very high | 78.8 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.4 | 174.3 | 176.8 | 70.7 | 0 | 0 | 0 | 109.4 | I153 G154 L182 L184 R198 C199 | L141-I153 HydrophobicContact CB-CG1 4.29Å; L141-I153 HydrophobicContact CD1-CD1 4.42Å; L141-I153 HydrophobicContact CD2-CD1 3.54Å; L141-I153 HydrophobicContact CD2-CG1 3.77Å; L141-I153 HydrophobicContact CG-CD1 3.65Å; L141-I153 HydrophobicContact CG-CG1 3.61Å; L141-I153 WeakPolarHBondContact O-CG1 3.48Å; L141-I153 PolarHBondContact O-N 2.8Å; L141-G154 PolarHBondContact N-O 2.89Å; L141-G154 PolarHBondContact O-N 2.94Å; L141-L182 HydrophobicContact CB-CD1 3.95Å; L141-L182 HydrophobicContact CB-CD2 3.94Å; L141-L182 HydrophobicContact CD1-CD2 4.42Å; L141-L182 HydrophobicContact CD2-CD2 3.8Å; L141-L182 HydrophobicContact CG-CD2 4.25Å; L141-L184 HydrophobicContact CD2-CB 3.73Å; L141-L184 HydrophobicContact CD2-CD1 4.08Å; L141-L184 HydrophobicContact CD2-CD2 4Å; L141-L184 HydrophobicContact CD2-CG 4.14Å; L141-R198 CarbonylContact C-O 3.59Å; L141-R198 WeakPolarHBondContact CA-O 3.43Å; L141-C199 WeakPolarHBondContact CD1-SG 3.4Å |
| 142 | E | 89.9 | Confident | 79.6 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.8 | -179.8 | -58 | 176.3 | 108.1 | 0 | 0 | 111.1 | I140 W150 V151 I152 Y197 R198 | I140-E142 HydrophobicContact CG2-CG 4.08Å; E142-W150 HydrophobicContact CB-CB 4.25Å; E142-W150 HydrophobicContact CB-CE3 4.03Å; E142-V151 CarbonylContact C-O 3.46Å; E142-V151 WeakPolarHBondContact CA-O 3.48Å; E142-I152 HydrophobicContact CG-CG1 4.09Å; E142-Y197 CarbonylContact O-C 3.6Å; E142-Y197 VanDerWaalsContact O-CA 3.27Å; E142-Y197 WeakPolarHBondContact O-CA 3.41Å; E142-R198 HydrophobicContact CB-CB 4.5Å; E142-R198 PolarHBondContact N-O 2.8Å; E142-R198 PolarHBondContact O-N 3.3Å; E142-R198 IonicContact OE1-NH2 2.72Å; E142-R198 PolarHBondContact OE1-NH2 2.69Å; E142-R198 IonicContact OE2-CZ 2.99Å; E142-R198 IonicContact OE2-NE 3.8Å; E142-R198 PolarHBondContact OE2-NE 3.34Å; E142-R198 IonicContact OE2-NH2 2.77Å; E142-R198 PolarHBondContact OE2-NH2 3.16Å |
| 143 | K | 88.8 | Confident | 80.8 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134 | 172 | -178.3 | -175 | 177.5 | -174.5 | 0 | 109.7 | P145 V151 I153 G192 D193 L196 Y197 | K143-P145 VanDerWaalsContact O-CD 3.29Å; K143-P145 WeakPolarHBondContact O-CD 3.46Å; K143-V151 PolarHBondContact N-O 2.78Å; K143-V151 PolarHBondContact O-N 2.83Å; K143-I153 HydrophobicContact CB-CD1 3.9Å; K143-I153 HydrophobicContact CB-CG1 4.4Å; K143-I153 HydrophobicContact CB-CG2 4.06Å; K143-G192 PolarHBondContact NZ-O 2.83Å; K143-G192 VanDerWaalsContact NZ-O 3.16Å; K143-D193 IonicContact NZ-OD1 2.71Å; K143-D193 PolarHBondContact NZ-OD1 3.38Å; K143-L196 CarbonylContact C-O 3.53Å; K143-L196 WeakPolarHBondContact CA-O 3.47Å; K143-Y197 HydrophobicContact CB-CD1 4.19Å; K143-Y197 HydrophobicContact CB-CE1 4.06Å; K143-Y197 HydrophobicContact CD-CE1 3.87Å; K143-Y197 WeakPolarHBondContact CD-OH 3.46Å; K143-Y197 VanDerWaalsContact CE-OH 3.25Å; K143-Y197 WeakPolarHBondContact CE-OH 3.5Å; K143-Y197 HydrophobicContact CG-CD1 4.28Å; K143-Y197 HydrophobicContact CG-CE1 3.83Å; K143-Y197 HydrophobicContact CG-CE2 4.35Å |
| 144 | M | 85.9 | Confident | 81.8 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 94.5 | 168.2 | 165.3 | 169.5 | -77.1 | 0 | 0 | 108.7 | H146 R148 W150 L196 | M144-H146 PolarHBondContact O-N 3.21Å; M144-R148 VanDerWaalsContact CE-O 3.31Å; M144-R148 WeakPolarHBondContact CE-O 3.33Å; M144-R148 VanDerWaalsContact CG-O 3.28Å; M144-R148 WeakPolarHBondContact CG-O 3.42Å; M144-W150 HydrophobicContact CB-CD2 3.75Å; M144-W150 HydrophobicContact CB-CE3 3.5Å; M144-W150 HydrophobicContact CB-CG 4.47Å; M144-W150 HydrophobicContact CB-CH2 3.91Å; M144-W150 HydrophobicContact CB-CZ2 4.14Å; M144-W150 HydrophobicContact CB-CZ3 3.57Å; M144-W150 HydrophobicContact CE-CD2 3.97Å; M144-W150 VanDerWaalsContact CE-CE2 3.42Å; M144-W150 HydrophobicContact CE-CG 4.07Å; M144-W150 HydrophobicContact CE-CZ2 3.92Å; M144-W150 HydrophobicContact SD-CH2 4.37Å; M144-W150 HydrophobicContact SD-CZ2 3.88Å; M144-L196 HydrophobicContact CB-CB 4.29Å; M144-L196 PolarHBondContact N-O 2.91Å; M144-L196 PolarHBondContact O-N 3.34Å; M144-L196 HydrophobicContact SD-CD1 4.28Å |
| 145 | P | 77.4 | Confident | 82.6 | Confident | 30 Ų | 30 | 53 Ų | 53 | 20% | 0.195 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.2 | 177.1 | 28.8 | -29.6 | 0 | 0 | 0 | 110.3 | K143 G147 R148 | K143-P145 VanDerWaalsContact O-CD 3.29Å; K143-P145 WeakPolarHBondContact O-CD 3.46Å; P145-G147 VanDerWaalsContact C-N 3.33Å; P145-G147 PolarHBondContact O-N 3.3Å; P145-R148 HydrophobicContact CG-CB 4.27Å; P145-R148 WeakPolarHBondContact O-CB 3.27Å; P145-R148 WeakPolarHBondContact O-CG 3.5Å; P145-R148 PolarHBondContact O-N 3.29Å |
| 146 | H | 70.2 | Confident | 83.1 | Confident | 135 Ų | 135 | 49.2 Ų | 49.2 | 63% | 0.625 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 42.2 | 166.8 | -58.6 | 65.4 | 0 | 0 | 0 | 114.5 | M144 R148 | M144-H146 PolarHBondContact O-N 3.21Å; H146-R148 VanDerWaalsContact C-N 3.26Å; H146-R148 PolarHBondContact O-N 2.8Å |
| 147 | G | 66.4 | Low | 83.3 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 72% | 0.722 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 12.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P145 | P145-G147 VanDerWaalsContact C-N 3.33Å; P145-G147 PolarHBondContact O-N 3.3Å |
| 148 | R | 70.9 | Confident | 83.3 | Confident | 177 Ų | 177 | 52.1 Ų | 52.1 | 67% | 0.668 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 163.3 | 170.1 | -66.8 | -178.1 | 177.9 | -118.1 | -0.3 | 110.9 | M144 P145 H146 | M144-R148 VanDerWaalsContact CE-O 3.31Å; M144-R148 WeakPolarHBondContact CE-O 3.33Å; M144-R148 VanDerWaalsContact CG-O 3.28Å; M144-R148 WeakPolarHBondContact CG-O 3.42Å; P145-R148 HydrophobicContact CG-CB 4.27Å; P145-R148 WeakPolarHBondContact O-CB 3.27Å; P145-R148 WeakPolarHBondContact O-CG 3.5Å; P145-R148 PolarHBondContact O-N 3.29Å; H146-R148 VanDerWaalsContact C-N 3.26Å; H146-R148 PolarHBondContact O-N 2.8Å |
| 149 | P | 78.2 | Confident | 83.1 | Confident | 82 Ų | 82 | 52.5 Ų | 52.5 | 53% | 0.532 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 151.9 | 174 | 22.1 | -34.6 | 0 | 0 | 0 | 112.3 | ||
| 150 | W | 81.7 | Confident | 82.4 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 20% | 0.197 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 135.4 | 175.7 | -61.2 | 95.9 | 0 | 0 | 0 | 111 | V110 E142 M144 L196 R198 V211 | V110-W150 HydrophobicContact CG1-CH2 4.29Å; V110-W150 HydrophobicContact CG1-CZ2 4.18Å; V110-W150 HydrophobicContact CG2-CZ2 4.36Å; E142-W150 HydrophobicContact CB-CB 4.25Å; E142-W150 HydrophobicContact CB-CE3 4.03Å; M144-W150 HydrophobicContact CB-CD2 3.75Å; M144-W150 HydrophobicContact CB-CE3 3.5Å; M144-W150 HydrophobicContact CB-CG 4.47Å; M144-W150 HydrophobicContact CB-CH2 3.91Å; M144-W150 HydrophobicContact CB-CZ2 4.14Å; M144-W150 HydrophobicContact CB-CZ3 3.57Å; M144-W150 HydrophobicContact CE-CD2 3.97Å; M144-W150 VanDerWaalsContact CE-CE2 3.42Å; M144-W150 HydrophobicContact CE-CG 4.07Å; M144-W150 HydrophobicContact CE-CZ2 3.92Å; M144-W150 HydrophobicContact SD-CH2 4.37Å; M144-W150 HydrophobicContact SD-CZ2 3.88Å; W150-L196 HydrophobicContact CH2-CB 3.7Å; W150-L196 HydrophobicContact CH2-CD1 4.48Å; W150-L196 HydrophobicContact CZ3-CB 4.05Å; W150-L196 WeakPolarHBondContact CZ3-O 3.21Å; W150-R198 VanDerWaalsContact CD2-CZ 3.44Å; W150-R198 VanDerWaalsContact CE2-CZ 3.41Å; W150-R198 HydrophobicContact CE3-CB 3.77Å; W150-R198 HydrophobicContact CH2-CB 3.73Å; W150-R198 HydrophobicContact CZ3-CB 3.32Å; W150-V211 HydrophobicContact CH2-CG1 4.4Å |
| 151 | V | 83.1 | Confident | 81.5 | Confident | 56 Ų | 56 | 65.2 Ų | 65.2 | 34% | 0.339 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | E142 K143 I153 | E142-V151 CarbonylContact C-O 3.46Å; E142-V151 WeakPolarHBondContact CA-O 3.48Å; K143-V151 PolarHBondContact N-O 2.78Å; K143-V151 PolarHBondContact O-N 2.83Å; V151-I153 PolarHBondContact O-N 2.79Å |
| 152 | I | 85.3 | Confident | 80.8 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 126.3 | 175.4 | -58.3 | 169.4 | 0 | 0 | 0 | 109 | I140 E142 I155 Y168 | I140-I152 HydrophobicContact CG2-CD1 4.36Å; I140-I152 HydrophobicContact CG2-CG1 4.07Å; I140-I152 HydrophobicContact CG2-CG2 3.99Å; E142-I152 HydrophobicContact CG-CG1 4.09Å; I152-I155 HydrophobicContact CG2-CD1 4.18Å; I152-I155 HydrophobicContact CG2-CG1 3.91Å; I152-Y168 HydrophobicContact CG2-CD2 4.1Å |
| 153 | I | 88.1 | Confident | 80.3 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 8% | 0.077 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -9.5 | 179.8 | 54.3 | 164.7 | 0 | 0 | 0 | 112.3 | L141 K143 V151 Y168 S169 L184 Y197 | L141-I153 HydrophobicContact CB-CG1 4.29Å; L141-I153 HydrophobicContact CD1-CD1 4.42Å; L141-I153 HydrophobicContact CD2-CD1 3.54Å; L141-I153 HydrophobicContact CD2-CG1 3.77Å; L141-I153 HydrophobicContact CG-CD1 3.65Å; L141-I153 HydrophobicContact CG-CG1 3.61Å; L141-I153 WeakPolarHBondContact O-CG1 3.48Å; L141-I153 PolarHBondContact O-N 2.8Å; K143-I153 HydrophobicContact CB-CD1 3.9Å; K143-I153 HydrophobicContact CB-CG1 4.4Å; K143-I153 HydrophobicContact CB-CG2 4.06Å; V151-I153 PolarHBondContact O-N 2.79Å; I153-Y168 PolarHBondContact O-N 2.81Å; I153-S169 PolarHBondContact O-N 3.04Å; I153-L184 HydrophobicContact CD1-CD2 4.05Å; I153-Y197 HydrophobicContact CD1-CD1 3.75Å; I153-Y197 HydrophobicContact CD1-CE1 3.81Å |
| 154 | G | 87.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 145.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | L141 E166 | L141-G154 PolarHBondContact N-O 2.89Å; L141-G154 PolarHBondContact O-N 2.94Å; G154-E166 CarbonylContact C-O 3.5Å; G154-E166 WeakPolarHBondContact CA-O 2.98Å |
| 155 | I | 87.9 | Confident | 79.5 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.097 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.3 | 172.4 | -58.7 | 176.8 | 0 | 0 | 0 | 109.9 | Q138 V139 I140 I152 G165 E166 Y168 | Q138-I155 HydrophobicContact CG-CG2 4.23Å; V139-I155 CarbonylContact O-C 3.57Å; V139-I155 WeakPolarHBondContact O-CA 3.35Å; I140-I155 HydrophobicContact CG2-CG1 4.42Å; I152-I155 HydrophobicContact CG2-CD1 4.18Å; I152-I155 HydrophobicContact CG2-CG1 3.91Å; I155-G165 CarbonylContact O-C 3.53Å; I155-G165 VanDerWaalsContact O-CA 3.3Å; I155-G165 WeakPolarHBondContact O-CA 3.41Å; I155-E166 HydrophobicContact CB-CB 4.39Å; I155-E166 PolarHBondContact N-O 2.87Å; I155-E166 PolarHBondContact O-N 3.39Å; I155-Y168 HydrophobicContact CB-CE2 4.22Å; I155-Y168 HydrophobicContact CD1-CE2 3.63Å; I155-Y168 HydrophobicContact CG1-CD2 4.3Å; I155-Y168 HydrophobicContact CG1-CE2 3.73Å |
| 156 | C | 87.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.1 | 167.4 | -64.7 | 0 | 0 | 0 | 0 | 108.8 | Q138 V139 V164 C176 L180 L182 | Q138-C156 CarbonylContact C-O 3.46Å; Q138-C156 WeakPolarHBondContact CA-O 3.38Å; V139-C156 HydrophobicContact CB-CB 4.37Å; V139-C156 PolarHBondContact N-O 2.85Å; V139-C156 PolarHBondContact O-N 3.27Å; C156-V164 WeakPolarHBondContact CA-O 3.24Å; C156-C176 HydrophobicContact CB-CB 3.78Å; C156-C176 WeakPolarHBondContact CB-SG 3.03Å; C156-C176 WeakPolarHBondContact SG-CB 3.5Å; C156-C176 CovalentContact SG-SG 2.02Å; C156-C176 PolarHBondContact SG-SG 3.18Å; C156-L180 HydrophobicContact CB-CD2 4.18Å; C156-L182 HydrophobicContact CB-CD1 4.3Å |
| 157 | K | 85.7 | Confident | 80.1 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 26% | 0.261 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 147.8 | 177.8 | 68.8 | -171.1 | 173.2 | -151.2 | 0 | 111.8 | Q138 V159 V164 E166 | Q138-K157 HydrophobicContact CB-CB 4.47Å; Q138-K157 HydrophobicContact CG-CB 4.22Å; K157-V159 HydrophobicContact CG-CG1 4.49Å; K157-V164 HydrophobicContact CG-CB 4.22Å; K157-V164 PolarHBondContact N-O 3.41Å; K157-V164 PolarHBondContact O-N 2.93Å; K157-E166 IonicContact NZ-OE1 3Å; K157-E166 PolarHBondContact NZ-OE1 3.41Å; K157-E166 IonicContact NZ-OE2 3.43Å |
| 158 | K | 80.9 | Confident | 80.1 | Confident | 147 Ų | 147 | 65.8 Ų | 65.8 | 64% | 0.639 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.2 | 171.8 | -168.4 | 171.8 | -176 | 172.7 | 0 | 109.6 | Y137 L180 | Y137-K158 PolarHBondContact O-N 3.08Å; Y137-K158 VanDerWaalsContact O-N 3.15Å; K158-L180 HydrophobicContact CB-CD1 4.4Å |
| 159 | V | 81.9 | Confident | 80.2 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 164.9 | 175 | -84.8 | 0 | 0 | 0 | 0 | 109.9 | K157 G161 G162 V164 | K157-V159 HydrophobicContact CG-CG1 4.49Å; V159-G161 PolarHBondContact O-N 2.72Å; V159-G162 WeakPolarHBondContact CG2-O 3.49Å; V159-G162 PolarHBondContact N-O 2.97Å; V159-G162 PolarHBondContact O-N 2.93Å; V159-V164 HydrophobicContact CG2-CB 4.08Å; V159-V164 HydrophobicContact CG2-CG2 3.33Å |
| 160 | E | 73.9 | Confident | 79.7 | Confident | 214 Ų | 214 | 63.5 Ų | 63.5 | 100% | 1 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.2 | -176.4 | -69.6 | -178.5 | 159.7 | 0 | 0 | 113.7 | ||
| 161 | G | 69.3 | Low | 79.4 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 89% | 0.887 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116 | V159 | V159-G161 PolarHBondContact O-N 2.72Š|
| 162 | G | 75.6 | Confident | 79.2 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.4 | -162.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V159 | V159-G162 WeakPolarHBondContact CG2-O 3.49Å; V159-G162 PolarHBondContact N-O 2.97Å; V159-G162 PolarHBondContact O-N 2.93Å |
| 163 | L | 80.4 | Confident | 79.3 | Confident | 60 Ų | 60 | 68.8 Ų | 68.8 | 31% | 0.314 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.3 | 177.8 | -167.7 | 73.1 | 0 | 0 | 0 | 109.9 | C176 A177 L180 | L163-C176 HydrophobicContact CD2-CB 3.53Å; L163-C176 WeakPolarHBondContact CD2-O 3.43Å; L163-C176 HydrophobicContact CG-CB 4.09Å; L163-A177 VanDerWaalsContact CD2-O 3.24Å; L163-A177 WeakPolarHBondContact CD2-O 3.47Å; L163-L180 HydrophobicContact CD1-CD2 3.42Å; L163-L180 VanDerWaalsContact CD1-CD2 3.42Å; L163-L180 HydrophobicContact CD1-CG 3.97Å |
| 164 | V | 79.7 | Confident | 79.3 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.8 | 176.9 | 174.1 | 0 | 0 | 0 | 0 | 109.3 | C156 K157 V159 E166 | C156-V164 WeakPolarHBondContact CA-O 3.24Å; K157-V164 HydrophobicContact CG-CB 4.22Å; K157-V164 PolarHBondContact N-O 3.41Å; K157-V164 PolarHBondContact O-N 2.93Å; V159-V164 HydrophobicContact CG2-CB 4.08Å; V159-V164 HydrophobicContact CG2-CG2 3.33Å; V164-E166 HydrophobicContact CG1-CG 4.26Å |
| 165 | G | 78.2 | Confident | 79.3 | Confident | 42 Ų | 42 | 73 Ų | 73 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I155 C176 | I155-G165 CarbonylContact O-C 3.53Å; I155-G165 VanDerWaalsContact O-CA 3.3Å; I155-G165 WeakPolarHBondContact O-CA 3.41Å; G165-C176 VanDerWaalsContact CA-SG 3.51Å |
| 166 | E | 78.5 | Confident | 79.3 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.7 | 175.2 | -69.3 | 166.2 | -175.9 | 0 | 0 | 108.9 | G154 I155 K157 V164 Y168 | G154-E166 CarbonylContact C-O 3.5Å; G154-E166 WeakPolarHBondContact CA-O 2.98Å; I155-E166 HydrophobicContact CB-CB 4.39Å; I155-E166 PolarHBondContact N-O 2.87Å; I155-E166 PolarHBondContact O-N 3.39Å; K157-E166 IonicContact NZ-OE1 3Å; K157-E166 PolarHBondContact NZ-OE1 3.41Å; K157-E166 IonicContact NZ-OE2 3.43Å; V164-E166 HydrophobicContact CG1-CG 4.26Å; E166-Y168 HydrophobicContact CB-CD2 4.31Å; E166-Y168 HydrophobicContact CB-CE2 3.51Å; E166-Y168 PolarHBondContact OE2-OH 2.99Å |
| 167 | D | 81.4 | Confident | 79.1 | Confident | 63 Ų | 63 | 75.5 Ų | 75.5 | 34% | 0.337 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.2 | 179.4 | -70.7 | -15 | 0 | 0 | 0 | 109.6 | V174 | D167-V174 VanDerWaalsContact OD1-CA 3.3Å; D167-V174 WeakPolarHBondContact OD1-CA 3.2Å; D167-V174 WeakPolarHBondContact OD1-CB 3.19Å; D167-V174 WeakPolarHBondContact OD1-CG2 3.3Å; D167-V174 PolarHBondContact OD1-N 3.44Å; D167-V174 PolarHBondContact OD2-N 2.78Å |
| 168 | Y | 65.6 | Low | 78.7 | Confident | 38 Ų | 38 | 80.1 Ų | 80.1 | 15% | 0.149 | 44% | 0.437 | C | S | . | . | trans | -109.5 | 4.6 | 179.9 | -64.4 | -73.5 | 0 | 0 | 0 | 112.7 | W9 I152 I153 I155 E166 | W9-Y168 AromaticContact CE3-CD1 3.95Å; W9-Y168 HydrophobicContact CE3-CD1 3.95Å; W9-Y168 AromaticContact CH2-CD1 3.14Å; W9-Y168 HydrophobicContact CH2-CD1 3.14Å; W9-Y168 AromaticContact CH2-CE1 3.53Å; W9-Y168 HydrophobicContact CH2-CE1 3.53Å; W9-Y168 HydrophobicContact CH2-CG 4.06Å; W9-Y168 AromaticContact CZ2-CD1 3.93Å; W9-Y168 HydrophobicContact CZ2-CD1 3.93Å; W9-Y168 AromaticContact CZ2-CE1 4Å; W9-Y168 HydrophobicContact CZ2-CE1 4Å; W9-Y168 AromaticContact CZ3-CD1 3.21Å; W9-Y168 HydrophobicContact CZ3-CD1 3.21Å; W9-Y168 HydrophobicContact CZ3-CE1 4.08Å; W9-Y168 AromaticContact CZ3-CG 3.84Å; W9-Y168 HydrophobicContact CZ3-CG 3.84Å; I152-Y168 HydrophobicContact CG2-CD2 4.1Å; I153-Y168 PolarHBondContact O-N 2.81Å; I155-Y168 HydrophobicContact CB-CE2 4.22Å; I155-Y168 HydrophobicContact CD1-CE2 3.63Å; I155-Y168 HydrophobicContact CG1-CD2 4.3Å; I155-Y168 HydrophobicContact CG1-CE2 3.73Å; E166-Y168 HydrophobicContact CB-CD2 4.31Å; E166-Y168 HydrophobicContact CB-CE2 3.51Å; E166-Y168 PolarHBondContact OE2-OH 2.99Å | ||
| 169 | S | 73.8 | Confident | 78.4 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | trans | -98.5 | 134.8 | 177.1 | -177 | 0 | 0 | 0 | 0 | 111 | I153 R171 G172 | I153-S169 PolarHBondContact O-N 3.04Å; S169-R171 VanDerWaalsContact C-N 3.25Å; S169-R171 PolarHBondContact O-N 2.77Å; S169-G172 PolarHBondContact OG-N 2.72Å | ||
| 170 | E | 66.4 | Low | 78.1 | Confident | 173 Ų | 173 | 73.3 Ų | 73.3 | 81% | 0.808 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -66 | -28.1 | 177.9 | -64.1 | -173.3 | 175.1 | 0 | 0 | 113.2 | ||
| 171 | R | 76.5 | Confident | 78.5 | Confident | 101 Ų | 101 | 65.8 Ų | 65.8 | 38% | 0.381 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -117.3 | -23 | -176.2 | -67.7 | -168.5 | -69.1 | 125.8 | 3.2 | 114.1 | S169 L186 D188 D193 | S169-R171 VanDerWaalsContact C-N 3.25Å; S169-R171 PolarHBondContact O-N 2.77Å; R171-L186 HydrophobicContact CB-CD1 4.2Å; R171-D188 PolarHBondContact NH1-O 2.83Å; R171-D193 IonicContact CZ-OD1 2.88Å; R171-D193 IonicContact CZ-OD2 3.77Å; R171-D193 IonicContact NH1-OD2 3.28Å; R171-D193 PolarHBondContact NH1-OD2 3.43Å; R171-D193 IonicContact NH2-OD1 3.18Å; R171-D193 PolarHBondContact NH2-OD1 3.29Å; R171-D193 IonicContact NH2-OD2 3.79Å; R171-D193 PolarHBondContact NH2-OD2 3.27Å |
| 172 | G | 79.8 | Confident | 79.4 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S169 H185 | S169-G172 PolarHBondContact OG-N 2.72Å; G172-H185 WeakPolarHBondContact CA-O 3.47Å |
| 173 | R | 86.3 | Confident | 80.1 | Confident | 178 Ų | 178 | 61.8 Ų | 61.8 | 67% | 0.672 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133 | 172.6 | -67.5 | -179.4 | -177.6 | -104.2 | 0.2 | 110.1 | H185 | R173-H185 PolarHBondContact N-O 2.91Å; R173-H185 PolarHBondContact O-N 2.8Å |
| 174 | V | 87.8 | Confident | 80.6 | Confident | 10 Ų | 10 | 59 Ų | 59 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.6 | 178.5 | -171.5 | 0 | 0 | 0 | 0 | 109 | D167 L182 S183 L184 | D167-V174 VanDerWaalsContact OD1-CA 3.3Å; D167-V174 WeakPolarHBondContact OD1-CA 3.2Å; D167-V174 WeakPolarHBondContact OD1-CB 3.19Å; D167-V174 WeakPolarHBondContact OD1-CG2 3.3Å; D167-V174 PolarHBondContact OD1-N 3.44Å; D167-V174 PolarHBondContact OD2-N 2.78Å; V174-L182 HydrophobicContact CG1-CD1 3.92Å; V174-L182 HydrophobicContact CG1-CD2 3.81Å; V174-L182 HydrophobicContact CG1-CG 3.59Å; V174-S183 WeakPolarHBondContact CA-O 3.3Å; V174-L184 HydrophobicContact CG2-CD1 3.97Å |
| 175 | N | 87.2 | Confident | 81.1 | Confident | 94 Ų | 94 | 59.4 Ų | 59.4 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117 | 172.6 | -69.7 | -32.8 | 0 | 0 | 0 | 108.7 | S183 | N175-S183 WeakPolarHBondContact CB-OG 3.27Å; N175-S183 PolarHBondContact N-O 2.8Å; N175-S183 PolarHBondContact O-N 3.01Å; N175-S183 PolarHBondContact O-OG 2.93Å; N175-S183 VanDerWaalsContact O-OG 3.1Å |
| 176 | C | 88.2 | Confident | 81.7 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125.1 | 175.5 | -47.8 | 0 | 0 | 0 | 0 | 109.4 | C156 L163 G165 | C156-C176 HydrophobicContact CB-CB 3.78Å; C156-C176 WeakPolarHBondContact CB-SG 3.03Å; C156-C176 WeakPolarHBondContact SG-CB 3.5Å; C156-C176 CovalentContact SG-SG 2.02Å; C156-C176 PolarHBondContact SG-SG 3.18Å; L163-C176 HydrophobicContact CD2-CB 3.53Å; L163-C176 WeakPolarHBondContact CD2-O 3.43Å; L163-C176 HydrophobicContact CG-CB 4.09Å; G165-C176 VanDerWaalsContact CA-SG 3.51Å |
| 177 | A | 83.8 | Confident | 82.1 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | trans | -83.2 | 164.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L163 S179 L180 D181 | L163-A177 VanDerWaalsContact CD2-O 3.24Å; L163-A177 WeakPolarHBondContact CD2-O 3.47Å; A177-S179 PolarHBondContact O-N 2.79Å; A177-S179 VanDerWaalsContact O-N 3.14Å; A177-L180 WeakPolarHBondContact O-CA 3.06Å; A177-L180 PolarHBondContact O-N 2.77Å; A177-D181 HydrophobicContact CB-CB 4.05Å; A177-D181 PolarHBondContact N-O 2.68Å | ||
| 178 | D | 78 | Confident | 82.3 | Confident | 158 Ų | 158 | 59.3 Ų | 59.3 | 85% | 0.845 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.8 | 175.9 | -66.4 | -33.7 | 0 | 0 | 0 | 113.1 | L180 | D178-L180 PolarHBondContact O-N 2.02Š|
| 179 | S | 73.5 | Confident | 83.4 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -1.4 | 172 | 50.7 | 0 | 0 | 0 | 0 | 114 | A177 D181 | A177-S179 PolarHBondContact O-N 2.79Å; A177-S179 VanDerWaalsContact O-N 3.14Å; S179-D181 PolarHBondContact O-N 2.86Å; S179-D181 VanDerWaalsContact OG-CG 3.22Å; S179-D181 PolarHBondContact OG-N 2.85Å; S179-D181 PolarHBondContact OG-OD2 2.89Å |
| 180 | L | 76.8 | Confident | 84 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | trans | 61.3 | 19.4 | -167 | -70.4 | 153.9 | 0 | 0 | 0 | 113.8 | I136 V139 C156 K158 L163 A177 D178 L182 | I136-L180 VanDerWaalsContact C-CD1 3.49Å; I136-L180 HydrophobicContact CB-CB 4.02Å; I136-L180 HydrophobicContact CB-CD1 3.77Å; I136-L180 HydrophobicContact CD1-CB 4.31Å; I136-L180 HydrophobicContact CG2-CB 3.87Å; I136-L180 HydrophobicContact CG2-CD1 3.9Å; I136-L180 HydrophobicContact CG2-CG 4.46Å; I136-L180 WeakPolarHBondContact O-CD1 3.34Å; V139-L180 HydrophobicContact CG2-CB 4.22Å; V139-L180 WeakPolarHBondContact CG2-O 3.49Å; C156-L180 HydrophobicContact CB-CD2 4.18Å; K158-L180 HydrophobicContact CB-CD1 4.4Å; L163-L180 HydrophobicContact CD1-CD2 3.42Å; L163-L180 VanDerWaalsContact CD1-CD2 3.42Å; L163-L180 HydrophobicContact CD1-CG 3.97Å; A177-L180 WeakPolarHBondContact O-CA 3.06Å; A177-L180 PolarHBondContact O-N 2.77Å; D178-L180 PolarHBondContact O-N 2.02Å; L180-L182 PolarHBondContact O-N 2.92Å | ||
| 181 | D | 82.4 | Confident | 84.7 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | trans | -63.5 | 128.5 | 164.3 | -67.3 | -45 | 0 | 0 | 0 | 109.1 | A177 S179 | A177-D181 HydrophobicContact CB-CB 4.05Å; A177-D181 PolarHBondContact N-O 2.68Å; S179-D181 PolarHBondContact O-N 2.86Å; S179-D181 VanDerWaalsContact OG-CG 3.22Å; S179-D181 PolarHBondContact OG-N 2.85Å; S179-D181 PolarHBondContact OG-OD2 2.89Å | ||
| 182 | L | 88.6 | Confident | 84.9 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.3 | -176.1 | -171.3 | 155.3 | 0 | 0 | 0 | 109 | C128 V139 L141 C156 V174 L180 | C128-L182 PolarHBondContact N-O 2.71Å; C128-L182 PolarHBondContact O-N 2.95Å; V139-L182 HydrophobicContact CB-CD1 4.1Å; V139-L182 HydrophobicContact CG1-CB 3.98Å; V139-L182 HydrophobicContact CG1-CD1 3.75Å; V139-L182 HydrophobicContact CG1-CG 4.49Å; L141-L182 HydrophobicContact CB-CD1 3.95Å; L141-L182 HydrophobicContact CB-CD2 3.94Å; L141-L182 HydrophobicContact CD1-CD2 4.42Å; L141-L182 HydrophobicContact CD2-CD2 3.8Å; L141-L182 HydrophobicContact CG-CD2 4.25Å; C156-L182 HydrophobicContact CB-CD1 4.3Å; V174-L182 HydrophobicContact CG1-CD1 3.92Å; V174-L182 HydrophobicContact CG1-CD2 3.81Å; V174-L182 HydrophobicContact CG1-CG 3.59Å; L180-L182 PolarHBondContact O-N 2.92Å |
| 183 | S | 90.2 | Very high | 85.2 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 25% | 0.245 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 123.1 | 172.9 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | I126 V174 N175 | I126-S183 CarbonylContact O-C 3.55Å; I126-S183 WeakPolarHBondContact O-CA 3.28Å; V174-S183 WeakPolarHBondContact CA-O 3.3Å; N175-S183 WeakPolarHBondContact CB-OG 3.27Å; N175-S183 PolarHBondContact N-O 2.8Å; N175-S183 PolarHBondContact O-N 3.01Å; N175-S183 PolarHBondContact O-OG 2.93Å; N175-S183 VanDerWaalsContact O-OG 3.1Å |
| 184 | L | 90.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.1 | 173.4 | 177.7 | 74.2 | 0 | 0 | 0 | 109 | T125 I126 L141 I153 V174 Y197 | T125-L184 CarbonylContact C-O 3.52Å; T125-L184 VanDerWaalsContact CA-O 3.26Å; T125-L184 WeakPolarHBondContact CA-O 3.21Å; I126-L184 HydrophobicContact CB-CB 4.34Å; I126-L184 HydrophobicContact CD1-CD2 4.31Å; I126-L184 PolarHBondContact N-O 2.77Å; I126-L184 PolarHBondContact O-N 2.94Å; L141-L184 HydrophobicContact CD2-CB 3.73Å; L141-L184 HydrophobicContact CD2-CD1 4.08Å; L141-L184 HydrophobicContact CD2-CD2 4Å; L141-L184 HydrophobicContact CD2-CG 4.14Å; I153-L184 HydrophobicContact CD1-CD2 4.05Å; V174-L184 HydrophobicContact CG2-CD1 3.97Å; L184-Y197 HydrophobicContact CD2-CD1 4.33Å; L184-Y197 HydrophobicContact CD2-CE1 4.08Å |
| 185 | H | 90.8 | Very high | 85.2 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 111.2 | 171.7 | -173.3 | -77.3 | 0 | 0 | 0 | 109.8 | T125 G172 R173 | T125-H185 PolarHBondContact OG1-CD2 2.02Å; G172-H185 WeakPolarHBondContact CA-O 3.47Å; R173-H185 PolarHBondContact N-O 2.91Å; R173-H185 PolarHBondContact O-N 2.8Å |
| 186 | L | 89.4 | Confident | 85.4 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124 | 179.5 | -165.1 | 66 | 0 | 0 | 0 | 109.4 | N123 L124 R171 V189 D193 | N123-L186 WeakPolarHBondContact CA-O 3.41Å; L124-L186 PolarHBondContact N-O 3.15Å; L124-L186 PolarHBondContact O-N 2.79Å; R171-L186 HydrophobicContact CB-CD1 4.2Å; L186-V189 HydrophobicContact CB-CG2 4.39Å; L186-V189 HydrophobicContact CD2-CG2 4.05Å; L186-V189 HydrophobicContact CG-CG2 4.21Å; L186-D193 HydrophobicContact CD2-CB 4.04Å |
| 187 | T | 87.7 | Confident | 85.5 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 36% | 0.356 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -100.6 | 148.3 | 175.4 | 52.1 | 0 | 0 | 0 | 0 | 110.9 | N123 | N123-T187 WeakPolarHBondContact OD1-CA 3.27Š|
| 188 | D | 85.4 | Confident | 85.9 | Confident | 98 Ų | 98 | 40.3 Ų | 40.3 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 54.7 | 59.3 | 176.8 | -169.5 | 35 | 0 | 0 | 0 | 111.6 | S121 S122 R171 A190 | S121-D188 WeakPolarHBondContact CA-OD1 3.2Å; S122-D188 PolarHBondContact O-N 3.18Å; R171-D188 PolarHBondContact NH1-O 2.83Å; D188-A190 PolarHBondContact O-N 2.76Å |
| 189 | V | 88.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | trans | -63 | 130.7 | -176.9 | -178 | 0 | 0 | 0 | 0 | 109.9 | A118 E120 S121 S122 L124 L186 D193 T216 | A118-V189 HydrophobicContact CB-CG1 4.21Å; E120-V189 CarbonylContact C-O 3.57Å; E120-V189 VanDerWaalsContact CA-O 3.29Å; E120-V189 WeakPolarHBondContact CA-O 2.94Å; S121-V189 PolarHBondContact N-O 2.75Å; S122-V189 WeakPolarHBondContact O-CG2 3.07Å; S122-V189 PolarHBondContact O-N 3.27Å; L124-V189 HydrophobicContact CB-CG2 3.71Å; L186-V189 HydrophobicContact CB-CG2 4.39Å; L186-V189 HydrophobicContact CD2-CG2 4.05Å; L186-V189 HydrophobicContact CG-CG2 4.21Å; V189-D193 HydrophobicContact CG1-CB 4.14Å; V189-T216 HydrophobicContact CG1-CG2 3.46Å; V189-T216 VanDerWaalsContact CG1-CG2 3.46Å | ||
| 190 | A | 85.8 | Confident | 87.3 | Confident | 41 Ų | 41 | 30.6 Ų | 30.6 | 34% | 0.339 | 19% | 0.189 | S | C | . | . | trans | -122.1 | 164.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D188 G192 D193 T216 | D188-A190 PolarHBondContact O-N 2.76Å; A190-G192 PolarHBondContact O-N 2.73Å; A190-D193 PolarHBondContact N-OD2 2.93Å; A190-D193 WeakPolarHBondContact O-CA 3.37Å; A190-D193 VanDerWaalsContact O-CB 3.24Å; A190-D193 WeakPolarHBondContact O-CB 3.33Å; A190-D193 PolarHBondContact O-N 2.86Å; A190-T216 WeakPolarHBondContact O-CG2 2.92Å | ||
| 191 | S | 81.4 | Confident | 87.8 | Confident | 67 Ų | 67 | 30.3 Ų | 30.3 | 47% | 0.469 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -58.7 | -22.3 | 178.3 | 51.6 | 0 | 0 | 0 | 0 | 114.9 | D193 D194 T216 | S191-D193 PolarHBondContact O-N 2.76Å; S191-D194 WeakPolarHBondContact O-CB 3.33Å; S191-D194 PolarHBondContact O-N 2.92Å; S191-T216 WeakPolarHBondContact CA-OG1 3.25Å |
| 192 | G | 81.4 | Confident | 88 | Confident | 45 Ų | 45 | 29.9 Ų | 29.9 | 46% | 0.464 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -69 | -11 | 170 | 0 | 0 | 0 | 0 | 0 | 114.8 | K143 A190 D194 | K143-G192 PolarHBondContact NZ-O 2.83Å; K143-G192 VanDerWaalsContact NZ-O 3.16Å; A190-G192 PolarHBondContact O-N 2.73Å; G192-D194 VanDerWaalsContact C-N 3.35Å |
| 193 | D | 85.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -84.5 | -12.2 | 176.5 | -64.8 | -43.4 | 0 | 0 | 0 | 113.8 | K143 R171 L186 V189 A190 S191 Y197 L214 | K143-D193 IonicContact NZ-OD1 2.71Å; K143-D193 PolarHBondContact NZ-OD1 3.38Å; R171-D193 IonicContact CZ-OD1 2.88Å; R171-D193 IonicContact CZ-OD2 3.77Å; R171-D193 IonicContact NH1-OD2 3.28Å; R171-D193 PolarHBondContact NH1-OD2 3.43Å; R171-D193 IonicContact NH2-OD1 3.18Å; R171-D193 PolarHBondContact NH2-OD1 3.29Å; R171-D193 IonicContact NH2-OD2 3.79Å; R171-D193 PolarHBondContact NH2-OD2 3.27Å; L186-D193 HydrophobicContact CD2-CB 4.04Å; V189-D193 HydrophobicContact CG1-CB 4.14Å; A190-D193 PolarHBondContact N-OD2 2.93Å; A190-D193 WeakPolarHBondContact O-CA 3.37Å; A190-D193 VanDerWaalsContact O-CB 3.24Å; A190-D193 WeakPolarHBondContact O-CB 3.33Å; A190-D193 PolarHBondContact O-N 2.86Å; S191-D193 PolarHBondContact O-N 2.76Å; D193-Y197 WeakPolarHBondContact O-CE2 3.48Å; D193-Y197 PolarHBondContact O-OH 2.97Å; D193-L214 HydrophobicContact CB-CD2 4.14Å |
| 194 | D | 86.3 | Confident | 87.3 | Confident | 47 Ų | 47 | 33.1 Ų | 33.1 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | trans | -56.3 | 136.5 | 174.1 | -70.9 | 0.9 | 0 | 0 | 0 | 111.2 | S191 G192 T216 | S191-D194 WeakPolarHBondContact O-CB 3.33Å; S191-D194 PolarHBondContact O-N 2.92Å; G192-D194 VanDerWaalsContact C-N 3.35Å; D194-T216 VanDerWaalsContact CG-OG1 3.25Å; D194-T216 VanDerWaalsContact OD1-CB 3.27Å; D194-T216 WeakPolarHBondContact OD1-CB 3.35Å; D194-T216 WeakPolarHBondContact OD1-CG2 3.48Å; D194-T216 PolarHBondContact OD1-N 3.44Å; D194-T216 PolarHBondContact OD1-OG1 2.93Å; D194-T216 PolarHBondContact OD2-OG1 2.82Å | ||
| 195 | G | 88.1 | Confident | 86.7 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.2 | -169.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L214 | G195-L214 PolarHBondContact N-O 3.33Å; G195-L214 PolarHBondContact O-N 2.79Å |
| 196 | L | 90.7 | Very high | 86.1 | Confident | 33 Ų | 33 | 37.2 Ų | 37.2 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 133.7 | 177.2 | -60.2 | 173.3 | 0 | 0 | 0 | 109 | V110 V112 K143 M144 W150 V211 Q213 | V110-L196 HydrophobicContact CB-CD1 4.35Å; V110-L196 HydrophobicContact CG1-CD1 3.99Å; V112-L196 HydrophobicContact CG2-CD2 4.02Å; K143-L196 CarbonylContact C-O 3.53Å; K143-L196 WeakPolarHBondContact CA-O 3.47Å; M144-L196 HydrophobicContact CB-CB 4.29Å; M144-L196 PolarHBondContact N-O 2.91Å; M144-L196 PolarHBondContact O-N 3.34Å; M144-L196 HydrophobicContact SD-CD1 4.28Å; W150-L196 HydrophobicContact CH2-CB 3.7Å; W150-L196 HydrophobicContact CH2-CD1 4.48Å; W150-L196 HydrophobicContact CZ3-CB 4.05Å; W150-L196 WeakPolarHBondContact CZ3-O 3.21Å; L196-V211 HydrophobicContact CB-CG1 4.13Å; L196-V211 HydrophobicContact CD2-CG1 4.2Å; L196-Q213 HydrophobicContact CD2-CB 3.78Å; L196-Q213 HydrophobicContact CD2-CG 3.99Å |
| 197 | Y | 91.3 | Very high | 85.9 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.2 | 175.7 | -68.9 | -102.1 | 0 | 0 | 0 | 107.4 | I126 E142 K143 I153 L184 D193 V211 V212 L214 | I126-Y197 HydrophobicContact CD1-CD1 3.91Å; I126-Y197 HydrophobicContact CD1-CD2 4Å; I126-Y197 HydrophobicContact CD1-CE1 4.06Å; I126-Y197 HydrophobicContact CD1-CE2 4.18Å; I126-Y197 HydrophobicContact CD1-CG 3.88Å; E142-Y197 CarbonylContact O-C 3.6Å; E142-Y197 VanDerWaalsContact O-CA 3.27Å; E142-Y197 WeakPolarHBondContact O-CA 3.41Å; K143-Y197 HydrophobicContact CB-CD1 4.19Å; K143-Y197 HydrophobicContact CB-CE1 4.06Å; K143-Y197 HydrophobicContact CD-CE1 3.87Å; K143-Y197 WeakPolarHBondContact CD-OH 3.46Å; K143-Y197 VanDerWaalsContact CE-OH 3.25Å; K143-Y197 WeakPolarHBondContact CE-OH 3.5Å; K143-Y197 HydrophobicContact CG-CD1 4.28Å; K143-Y197 HydrophobicContact CG-CE1 3.83Å; K143-Y197 HydrophobicContact CG-CE2 4.35Å; I153-Y197 HydrophobicContact CD1-CD1 3.75Å; I153-Y197 HydrophobicContact CD1-CE1 3.81Å; L184-Y197 HydrophobicContact CD2-CD1 4.33Å; L184-Y197 HydrophobicContact CD2-CE1 4.08Å; D193-Y197 WeakPolarHBondContact O-CE2 3.48Å; D193-Y197 PolarHBondContact O-OH 2.97Å; Y197-V211 CarbonylContact O-C 3.49Å; Y197-V211 WeakPolarHBondContact O-CA 3.39Å; Y197-V212 PolarHBondContact N-O 3.09Å; Y197-V212 PolarHBondContact O-N 3.03Å; Y197-L214 HydrophobicContact CD2-CB 3.93Å; Y197-L214 HydrophobicContact CE2-CB 3.6Å; Y197-L214 HydrophobicContact CE2-CD2 3.8Å; Y197-L214 HydrophobicContact CE2-CG 4.33Å |
| 198 | R | 91.6 | Very high | 85.7 | Confident | 43 Ų | 43 | 41.9 Ų | 41.9 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.2 | -178.4 | 179.3 | 171.1 | 65.7 | -165.2 | 2.6 | 109.8 | L141 E142 W150 T210 V211 | L141-R198 CarbonylContact C-O 3.59Å; L141-R198 WeakPolarHBondContact CA-O 3.43Å; E142-R198 HydrophobicContact CB-CB 4.5Å; E142-R198 PolarHBondContact N-O 2.8Å; E142-R198 PolarHBondContact O-N 3.3Å; E142-R198 IonicContact OE1-NH2 2.72Å; E142-R198 PolarHBondContact OE1-NH2 2.69Å; E142-R198 IonicContact OE2-CZ 2.99Å; E142-R198 IonicContact OE2-NE 3.8Å; E142-R198 PolarHBondContact OE2-NE 3.34Å; E142-R198 IonicContact OE2-NH2 2.77Å; E142-R198 PolarHBondContact OE2-NH2 3.16Å; W150-R198 VanDerWaalsContact CD2-CZ 3.44Å; W150-R198 VanDerWaalsContact CE2-CZ 3.41Å; W150-R198 HydrophobicContact CE3-CB 3.77Å; W150-R198 HydrophobicContact CH2-CB 3.73Å; W150-R198 HydrophobicContact CZ3-CB 3.32Å; R198-T210 WeakPolarHBondContact CA-O 3.27Å; R198-V211 HydrophobicContact CB-CG2 4.28Å; R198-V211 HydrophobicContact CG-CG2 4.12Å |
| 199 | C | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.6 | 172 | -75.6 | 0 | 0 | 0 | 0 | 109.1 | C128 I140 L141 F201 T209 T210 | C128-C199 HydrophobicContact CB-CB 3.51Å; C128-C199 WeakPolarHBondContact CB-SG 3.36Å; C128-C199 WeakPolarHBondContact SG-CB 3.31Å; C128-C199 CovalentContact SG-SG 2.02Å; C128-C199 PolarHBondContact SG-SG 3.25Å; I140-C199 CarbonylContact O-C 3.5Å; I140-C199 WeakPolarHBondContact O-CA 3.32Å; L141-C199 WeakPolarHBondContact CD1-SG 3.4Å; C199-F201 HydrophobicContact CB-CE2 3.88Å; C199-F201 HydrophobicContact CB-CZ 4.18Å; C199-T209 CarbonylContact O-C 3.46Å; C199-T209 VanDerWaalsContact O-CA 3.27Å; C199-T209 WeakPolarHBondContact O-CA 3.4Å; C199-T210 WeakPolarHBondContact CB-OG1 3.44Å; C199-T210 PolarHBondContact N-O 3.21Å; C199-T210 PolarHBondContact O-N 3.47Å |
| 200 | T | 89.9 | Confident | 85.8 | Confident | 18 Ų | 18 | 42 Ų | 42 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 111.5 | -179.5 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | V139 I140 V207 Q208 T209 | V139-T200 CarbonylContact C-O 3.54Å; V139-T200 WeakPolarHBondContact CA-O 3.25Å; I140-T200 PolarHBondContact N-O 3.4Å; I140-T200 PolarHBondContact O-N 3.02Å; T200-V207 HydrophobicContact CG2-CG1 3.45Å; T200-V207 VanDerWaalsContact CG2-CG1 3.45Å; T200-Q208 CarbonylContact C-O 3.54Å; T200-Q208 WeakPolarHBondContact CA-O 3.39Å; T200-T209 HydrophobicContact CG2-CG2 4.13Å |
| 201 | F | 88.1 | Confident | 86 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 117.4 | 178.7 | -58.5 | -91 | 0 | 0 | 0 | 109.5 | C128 H130 I136 V139 C199 T203 V207 Q208 T210 | C128-F201 HydrophobicContact CB-CZ 3.85Å; H130-F201 HydrophobicContact CB-CD1 4.12Å; H130-F201 HydrophobicContact CB-CE1 4.08Å; H130-F201 AromaticContact ND1-CG 3.93Å; I136-F201 HydrophobicContact CD1-CD1 4.19Å; V139-F201 HydrophobicContact CB-CD1 4.28Å; V139-F201 HydrophobicContact CG1-CD1 3.77Å; V139-F201 HydrophobicContact CG1-CE1 3.76Å; V139-F201 HydrophobicContact CG1-CG 4.38Å; V139-F201 HydrophobicContact CG1-CZ 4.37Å; V139-F201 HydrophobicContact CG2-CD1 3.51Å; V139-F201 HydrophobicContact CG2-CE1 3.93Å; V139-F201 HydrophobicContact CG2-CG 4.46Å; C199-F201 HydrophobicContact CB-CE2 3.88Å; C199-F201 HydrophobicContact CB-CZ 4.18Å; F201-T203 HydrophobicContact CB-CG2 4.4Å; F201-V207 WeakPolarHBondContact O-CA 3.24Å; F201-Q208 PolarHBondContact N-O 2.88Å; F201-Q208 PolarHBondContact O-N 3.27Å; F201-T210 HydrophobicContact CE2-CG2 4Å |
| 202 | N | 85.9 | Confident | 86.5 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.8 | 171.3 | -71 | -20.9 | 0 | 0 | 0 | 108.9 | Y137 Q138 | Y137-N202 PolarHBondContact N-O 2.6Å; Q138-N202 HydrophobicContact CB-CB 4.24Å; Q138-N202 PolarHBondContact O-N 3.16Å; Q138-N202 PolarHBondContact OE1-ND2 3.05Å |
| 203 | T | 84.1 | Confident | 86.9 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 172.4 | 179.3 | 73.4 | 0 | 0 | 0 | 0 | 111.5 | T135 I136 F201 V205 G206 | T135-T203 WeakPolarHBondContact O-CA 3.34Å; I136-T203 HydrophobicContact CG1-CG2 4.03Å; F201-T203 HydrophobicContact CB-CG2 4.4Å; T203-V205 PolarHBondContact O-N 3.16Å; T203-V205 PolarHBondContact OG1-N 2.86Å; T203-G206 PolarHBondContact N-O 2.79Å; T203-G206 PolarHBondContact O-N 3.06Å; T203-G206 PolarHBondContact OG1-N 2.82Å; T203-G206 PolarHBondContact OG1-O 2.91Å |
| 204 | D | 80.7 | Confident | 87.2 | Confident | 90 Ų | 90 | 37.4 Ų | 37.4 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -63.1 | -26.4 | 172.1 | 57 | -35.4 | 0 | 0 | 0 | 113.6 | G134 T135 Y137 | G134-D204 WeakPolarHBondContact CA-OD1 3.29Å; T135-D204 PolarHBondContact N-OD1 2.8Å; T135-D204 PolarHBondContact O-N 3.28Å; Y137-D204 HydrophobicContact CE2-CB 3.96Å |
| 205 | V | 78 | Confident | 87.3 | Confident | 115 Ų | 115 | 40.7 Ų | 40.7 | 70% | 0.697 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -90.3 | -15.6 | -178.9 | -170.5 | 0 | 0 | 0 | 0 | 112 | T203 | T203-V205 PolarHBondContact O-N 3.16Å; T203-V205 PolarHBondContact OG1-N 2.86Å |
| 206 | G | 78.3 | Confident | 87.2 | Confident | 33 Ų | 33 | 41 Ų | 41 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | trans | 146.3 | -163.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | T203 | T203-G206 PolarHBondContact N-O 2.79Å; T203-G206 PolarHBondContact O-N 3.06Å; T203-G206 PolarHBondContact OG1-N 2.82Å; T203-G206 PolarHBondContact OG1-O 2.91Å | ||
| 207 | V | 84.8 | Confident | 86.9 | Confident | 100 Ų | 100 | 40.7 Ų | 40.7 | 61% | 0.606 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.2 | 175.3 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | T200 F201 | T200-V207 HydrophobicContact CG2-CG1 3.45Å; T200-V207 VanDerWaalsContact CG2-CG1 3.45Å; F201-V207 WeakPolarHBondContact O-CA 3.24Å |
| 208 | Q | 83.1 | Confident | 86.2 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.4 | 173.1 | -69.5 | -167.9 | -13.7 | 0 | 0 | 110.5 | H130 H132 T200 F201 | H130-Q208 PolarHBondContact CE1-OE1 3.41Å; H130-Q208 PolarHBondContact ND1-OE1 2.93Å; H132-Q208 PolarHBondContact CD2-NE2 2.91Å; H132-Q208 VanDerWaalsContact CD2-NE2 3.3Å; H132-Q208 PolarHBondContact CD2-OE1 3.28Å; H132-Q208 VanDerWaalsContact CD2-OE1 3.27Å; T200-Q208 CarbonylContact C-O 3.54Å; T200-Q208 WeakPolarHBondContact CA-O 3.39Å; F201-Q208 PolarHBondContact N-O 2.88Å; F201-Q208 PolarHBondContact O-N 3.27Å |
| 209 | T | 88.1 | Confident | 85.2 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.8 | -178.7 | 53 | 0 | 0 | 0 | 0 | 110.5 | C199 T200 | C199-T209 CarbonylContact O-C 3.46Å; C199-T209 VanDerWaalsContact O-CA 3.27Å; C199-T209 WeakPolarHBondContact O-CA 3.4Å; T200-T209 HydrophobicContact CG2-CG2 4.13Å |
| 210 | T | 88.9 | Confident | 84.1 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.7 | 169.1 | 62.4 | 0 | 0 | 0 | 0 | 109.7 | D113 R198 C199 F201 | D113-T210 WeakPolarHBondContact OD2-CA 3.37Å; R198-T210 WeakPolarHBondContact CA-O 3.27Å; C199-T210 WeakPolarHBondContact CB-OG1 3.44Å; C199-T210 PolarHBondContact N-O 3.21Å; C199-T210 PolarHBondContact O-N 3.47Å; F201-T210 HydrophobicContact CE2-CG2 4Å |
| 211 | V | 89.6 | Confident | 82.7 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129 | -177.9 | -174 | 0 | 0 | 0 | 0 | 111 | V110 D113 S114 W150 L196 Y197 R198 | V110-V211 HydrophobicContact CG1-CB 4.21Å; V110-V211 HydrophobicContact CG1-CG1 3.77Å; V110-V211 HydrophobicContact CG1-CG2 3.82Å; D113-V211 WeakPolarHBondContact CB-O 2.91Å; D113-V211 PolarHBondContact N-O 3Å; D113-V211 PolarHBondContact OD2-N 3.48Å; S114-V211 PolarHBondContact N-O 3.32Å; W150-V211 HydrophobicContact CH2-CG1 4.4Å; L196-V211 HydrophobicContact CB-CG1 4.13Å; L196-V211 HydrophobicContact CD2-CG1 4.2Å; Y197-V211 CarbonylContact O-C 3.49Å; Y197-V211 WeakPolarHBondContact O-CA 3.39Å; R198-V211 HydrophobicContact CB-CG2 4.28Å; R198-V211 HydrophobicContact CG-CG2 4.12Å |
| 212 | V | 90.9 | Very high | 81.3 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.1 | 175.9 | -170.5 | 0 | 0 | 0 | 0 | 108.9 | S114 V116 I126 Y197 | S114-V212 CarbonylContact O-C 3.5Å; S114-V212 WeakPolarHBondContact O-CA 3.2Å; S114-V212 WeakPolarHBondContact OG-CG2 3.45Å; V116-V212 HydrophobicContact CB-CG1 4.3Å; V116-V212 HydrophobicContact CG2-CG1 3.62Å; I126-V212 HydrophobicContact CG2-CB 4.21Å; I126-V212 HydrophobicContact CG2-CG1 4.13Å; I126-V212 HydrophobicContact CG2-CG2 4.05Å; Y197-V212 PolarHBondContact N-O 3.09Å; Y197-V212 PolarHBondContact O-N 3.03Å |
| 213 | Q | 91.1 | Very high | 80.4 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 23% | 0.229 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.7 | 170.6 | -179 | 168.2 | 14.6 | 0 | 0 | 109.9 | V112 S114 E115 V116 L196 R215 | V112-Q213 HydrophobicContact CG1-CB 3.62Å; V112-Q213 HydrophobicContact CG2-CB 4.31Å; S114-Q213 PolarHBondContact O-N 3.39Å; E115-Q213 WeakPolarHBondContact CA-O 3.36Å; E115-Q213 HydrophobicContact CG-CB 4.48Å; V116-Q213 PolarHBondContact N-O 3.16Å; L196-Q213 HydrophobicContact CD2-CB 3.78Å; L196-Q213 HydrophobicContact CD2-CG 3.99Å; Q213-R215 HydrophobicContact CG-CG 4.38Å |
| 214 | L | 90.6 | Very high | 79.7 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.4 | 172.2 | 178.7 | 57.2 | 0 | 0 | 0 | 110.2 | V116 A118 L124 I126 D193 G195 Y197 | V116-L214 HydrophobicContact CB-CD1 4.46Å; V116-L214 HydrophobicContact CG1-CD1 4.26Å; V116-L214 WeakPolarHBondContact O-CA 3.2Å; V116-L214 WeakPolarHBondContact O-CD1 3.12Å; A118-L214 HydrophobicContact CB-CD1 4.12Å; L124-L214 HydrophobicContact CD2-CD1 3.35Å; L124-L214 HydrophobicContact CD2-CD2 3.94Å; L124-L214 HydrophobicContact CD2-CG 4.3Å; I126-L214 HydrophobicContact CD1-CD2 4.35Å; D193-L214 HydrophobicContact CB-CD2 4.14Å; G195-L214 PolarHBondContact N-O 3.33Å; G195-L214 PolarHBondContact O-N 2.79Å; Y197-L214 HydrophobicContact CD2-CB 3.93Å; Y197-L214 HydrophobicContact CE2-CB 3.6Å; Y197-L214 HydrophobicContact CE2-CD2 3.8Å; Y197-L214 HydrophobicContact CE2-CG 4.33Å |
| 215 | R | 88.4 | Confident | 79.2 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 43% | 0.434 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.7 | 168 | -61.4 | -172.2 | -179.7 | 160.7 | -1.6 | 110.5 | E115 V116 V117 A118 Q213 | E115-R215 WeakPolarHBondContact OE1-CD 3.25Å; E115-R215 IonicContact OE1-CZ 3.7Å; E115-R215 IonicContact OE1-NE 3.42Å; E115-R215 PolarHBondContact OE1-NE 2.83Å; E115-R215 IonicContact OE1-NH1 2.82Å; E115-R215 PolarHBondContact OE1-NH1 3.1Å; E115-R215 IonicContact OE1-NH2 2.64Å; V116-R215 PolarHBondContact O-N 2.94Å; V117-R215 CarbonylContact C-O 3.59Å; V117-R215 VanDerWaalsContact CA-O 3.26Å; V117-R215 WeakPolarHBondContact CA-O 3.25Å; V117-R215 HydrophobicContact CG2-CB 4.45Å; A118-R215 PolarHBondContact N-O 2.85Å; Q213-R215 HydrophobicContact CG-CG 4.38Å |
| 216 | T | 87.3 | Confident | 79.1 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 142 | 172.2 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | A118 V189 A190 S191 D194 | A118-T216 CarbonylContact O-C 3.58Å; A118-T216 VanDerWaalsContact O-CA 3.25Å; A118-T216 WeakPolarHBondContact O-CA 3.26Å; V189-T216 HydrophobicContact CG1-CG2 3.46Å; V189-T216 VanDerWaalsContact CG1-CG2 3.46Å; A190-T216 WeakPolarHBondContact O-CG2 2.92Å; S191-T216 WeakPolarHBondContact CA-OG1 3.25Å; D194-T216 VanDerWaalsContact CG-OG1 3.25Å; D194-T216 VanDerWaalsContact OD1-CB 3.27Å; D194-T216 WeakPolarHBondContact OD1-CB 3.35Å; D194-T216 WeakPolarHBondContact OD1-CG2 3.48Å; D194-T216 PolarHBondContact OD1-N 3.44Å; D194-T216 PolarHBondContact OD1-OG1 2.93Å; D194-T216 PolarHBondContact OD2-OG1 2.82Å |
| 217 | A | 83.3 | Confident | 79.2 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 138.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V117 A118 E119 E120 | V117-A217 HydrophobicContact CG1-CB 4.01Å; A118-A217 PolarHBondContact O-N 3.14Å; E119-A217 CarbonylContact C-O 3.59Å; E119-A217 WeakPolarHBondContact CA-O 3.26Å; E120-A217 PolarHBondContact N-O 2.93Å |
| 218 | P | 77.6 | Confident | 79.1 | Confident | 59 Ų | 59 | 66.4 Ų | 66.4 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | trans | -61.2 | 149.2 | 176.5 | 25.8 | -33.7 | 0 | 0 | 0 | 110.6 | G220 G221 | P218-G220 PolarHBondContact O-N 2.84Å; P218-G221 PolarHBondContact O-N 2.83Å; P218-G221 VanDerWaalsContact O-N 3.13Å | ||
| 219 | P | 70.5 | Confident | 79.3 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 53% | 0.526 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 127.4 | -175.1 | 24.3 | -29.8 | 0 | 0 | 0 | 110 | ||
| 220 | G | 67.2 | Low | 79.2 | Confident | 49 Ų | 49 | 71.8 Ų | 71.8 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 8.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | P218 F222 | P218-G220 PolarHBondContact O-N 2.84Å; G220-F222 WeakPolarHBondContact O-CD2 3.35Å; G220-F222 WeakPolarHBondContact O-CE2 3.37Å; G220-F222 PolarHBondContact O-N 3.3Å |
| 221 | G | 59.7 | Low | 79.2 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 63% | 0.629 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 66.4 | 9.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P218 | P218-G221 PolarHBondContact O-N 2.83Å; P218-G221 VanDerWaalsContact O-N 3.13Å |
| 222 | F | 60.1 | Low | 79.3 | Confident | 170 Ų | 170 | 81 Ų | 81 | 75% | 0.746 | 43% | 0.431 | S | S | * | . | trans | -89.5 | 110.3 | 177.6 | -74.2 | -79.2 | 0 | 0 | 0 | 110 | G220 L224 | G220-F222 WeakPolarHBondContact O-CD2 3.35Å; G220-F222 WeakPolarHBondContact O-CE2 3.37Å; G220-F222 PolarHBondContact O-N 3.3Å; F222-L224 PolarHBondContact O-N 3.35Å | ||
| 223 | S | 66.4 | Low | 79.2 | Confident | 41 Ų | 41 | 85.6 Ų | 85.6 | 29% | 0.287 | 45% | 0.454 | S | S | . | . | trans | -72.6 | 125.2 | 165.9 | 68.4 | 0 | 0 | 0 | 0 | 109.1 | S225 L226 Y227 | S223-S225 PolarHBondContact O-N 3.49Å; S223-S225 VanDerWaalsContact O-N 3.09Å; S223-L226 PolarHBondContact O-N 3.42Å; S223-L226 VanDerWaalsContact OG-CB 3.25Å; S223-L226 WeakPolarHBondContact OG-CB 3.24Å; S223-L226 WeakPolarHBondContact OG-CD1 3.46Å; S223-L226 WeakPolarHBondContact OG-CG 3.39Å; S223-L226 PolarHBondContact OG-N 2.71Å; S223-Y227 PolarHBondContact O-N 3.36Å; S223-Y227 VanDerWaalsContact O-N 3.16Å | ||
| 224 | L | 68.2 | Low | 79.2 | Confident | 138 Ų | 138 | 85.2 Ų | 85.2 | 72% | 0.723 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -52 | -31.6 | 173.7 | -112.6 | 152.3 | 0 | 0 | 0 | 111.4 | F222 M228 | F222-L224 PolarHBondContact O-N 3.35Å; L224-M228 WeakPolarHBondContact O-CB 3.41Å; L224-M228 WeakPolarHBondContact O-CG 3.37Å; L224-M228 PolarHBondContact O-N 3.45Å |
| 225 | S | 71.7 | Confident | 79.3 | Confident | 89 Ų | 89 | 88.1 Ų | 88.1 | 62% | 0.622 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.5 | -41 | 177 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | S223 M228 L229 | S223-S225 PolarHBondContact O-N 3.49Å; S223-S225 VanDerWaalsContact O-N 3.09Å; S225-M228 PolarHBondContact O-N 3.31Å; S225-L229 WeakPolarHBondContact O-CB 3.45Å; S225-L229 PolarHBondContact O-N 3.26Å |
| 226 | L | 76.3 | Confident | 79.5 | Confident | 88 Ų | 88 | 84.7 Ų | 84.7 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 175.6 | -77.6 | 170.1 | 0 | 0 | 0 | 110.9 | S223 L229 Y230 | S223-L226 PolarHBondContact O-N 3.42Å; S223-L226 VanDerWaalsContact OG-CB 3.25Å; S223-L226 WeakPolarHBondContact OG-CB 3.24Å; S223-L226 WeakPolarHBondContact OG-CD1 3.46Å; S223-L226 WeakPolarHBondContact OG-CG 3.39Å; S223-L226 PolarHBondContact OG-N 2.71Å; L226-L229 HydrophobicContact CD2-CD2 4.44Å; L226-L229 WeakPolarHBondContact O-CB 3.39Å; L226-L229 PolarHBondContact O-N 3.13Å; L226-Y230 HydrophobicContact CB-CE2 4.43Å; L226-Y230 WeakPolarHBondContact O-CD2 3.4Å; L226-Y230 PolarHBondContact O-N 3.42Å |
| 227 | Y | 80 | Confident | 79.8 | Confident | 150 Ų | 150 | 86.2 Ų | 86.2 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.8 | -48 | 176 | -179.3 | -100.9 | 0 | 0 | 0 | 111.7 | S223 L229 Y230 V231 | S223-Y227 PolarHBondContact O-N 3.36Å; S223-Y227 VanDerWaalsContact O-N 3.16Å; Y227-L229 VanDerWaalsContact C-N 3.32Å; Y227-L229 PolarHBondContact O-N 3.49Å; Y227-Y230 PolarHBondContact O-N 2.87Å; Y227-V231 HydrophobicContact CD1-CG2 4.27Å; Y227-V231 HydrophobicContact CE1-CG2 3.9Å; Y227-V231 WeakPolarHBondContact O-CG2 3.34Å; Y227-V231 PolarHBondContact O-N 3.36Å |
| 228 | M | 81.8 | Confident | 80.3 | Confident | 80 Ų | 80 | 87.5 Ų | 87.5 | 39% | 0.394 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 176.4 | -68.5 | -64.6 | -86.9 | 0 | 0 | 111.6 | L224 S225 Y230 V231 Y232 | L224-M228 WeakPolarHBondContact O-CB 3.41Å; L224-M228 WeakPolarHBondContact O-CG 3.37Å; L224-M228 PolarHBondContact O-N 3.45Å; S225-M228 PolarHBondContact O-N 3.31Å; M228-Y230 PolarHBondContact O-N 3.01Å; M228-V231 PolarHBondContact O-N 3.49Å; M228-Y232 HydrophobicContact CB-CD2 4.45Å; M228-Y232 HydrophobicContact CB-CE2 4.03Å; M228-Y232 WeakPolarHBondContact O-CD2 3.45Å; M228-Y232 PolarHBondContact O-N 3.23Å |
| 229 | L | 86.7 | Confident | 81 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 174.1 | 179.9 | 67 | 0 | 0 | 0 | 112.2 | S225 L226 Y227 V231 Y232 I233 | S225-L229 WeakPolarHBondContact O-CB 3.45Å; S225-L229 PolarHBondContact O-N 3.26Å; L226-L229 HydrophobicContact CD2-CD2 4.44Å; L226-L229 WeakPolarHBondContact O-CB 3.39Å; L226-L229 PolarHBondContact O-N 3.13Å; Y227-L229 VanDerWaalsContact C-N 3.32Å; Y227-L229 PolarHBondContact O-N 3.49Å; L229-V231 VanDerWaalsContact C-N 3.32Å; L229-V231 PolarHBondContact O-N 2.81Å; L229-Y232 PolarHBondContact O-N 3.48Å; L229-I233 HydrophobicContact CD1-CD1 4.22Å; L229-I233 HydrophobicContact CG-CD1 4Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.49Å; L229-I233 PolarHBondContact O-N 3.3Å |
| 230 | Y | 86.8 | Confident | 82.1 | Confident | 161 Ų | 161 | 87.7 Ų | 87.7 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -38 | 176.2 | -75 | -64 | 0 | 0 | 0 | 112.4 | L226 Y227 M228 I233 G234 | L226-Y230 HydrophobicContact CB-CE2 4.43Å; L226-Y230 WeakPolarHBondContact O-CD2 3.4Å; L226-Y230 PolarHBondContact O-N 3.42Å; Y227-Y230 PolarHBondContact O-N 2.87Å; M228-Y230 PolarHBondContact O-N 3.01Å; Y230-I233 PolarHBondContact O-N 3.28Å; Y230-G234 PolarHBondContact O-N 3.46Å |
| 231 | V | 88.3 | Confident | 83.5 | Confident | 68 Ų | 68 | 90.1 Ų | 90.1 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | Y227 M228 L229 G234 A235 | Y227-V231 HydrophobicContact CD1-CG2 4.27Å; Y227-V231 HydrophobicContact CE1-CG2 3.9Å; Y227-V231 WeakPolarHBondContact O-CG2 3.34Å; Y227-V231 PolarHBondContact O-N 3.36Å; M228-V231 PolarHBondContact O-N 3.49Å; L229-V231 VanDerWaalsContact C-N 3.32Å; L229-V231 PolarHBondContact O-N 2.81Å; V231-G234 PolarHBondContact O-N 2.92Å; V231-A235 WeakPolarHBondContact O-CB 3.39Å; V231-A235 PolarHBondContact O-N 3.26Å |
| 232 | Y | 91.4 | Very high | 85.1 | Confident | 155 Ų | 155 | 92.9 Ų | 92.9 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | 176.4 | -69.8 | -58.1 | 0 | 0 | 0 | 112.6 | M228 L229 G236 | M228-Y232 HydrophobicContact CB-CD2 4.45Å; M228-Y232 HydrophobicContact CB-CE2 4.03Å; M228-Y232 WeakPolarHBondContact O-CD2 3.45Å; M228-Y232 PolarHBondContact O-N 3.23Å; L229-Y232 PolarHBondContact O-N 3.48Å; Y232-G236 PolarHBondContact O-N 2.9Å |
| 233 | I | 90.4 | Very high | 86.7 | Confident | 102 Ų | 102 | 90.9 Ų | 90.9 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176 | -66.2 | 167.3 | 0 | 0 | 0 | 110.5 | L229 Y230 G236 A237 | L229-I233 HydrophobicContact CD1-CD1 4.22Å; L229-I233 HydrophobicContact CG-CD1 4Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.49Å; L229-I233 PolarHBondContact O-N 3.3Å; Y230-I233 PolarHBondContact O-N 3.28Å; I233-G236 PolarHBondContact O-N 2.91Å; I233-A237 WeakPolarHBondContact O-CB 3.32Å; I233-A237 PolarHBondContact O-N 3.35Å |
| 234 | G | 91 | Very high | 88 | Confident | 41 Ų | 41 | 92.9 Ų | 92.9 | 42% | 0.423 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y230 V231 A237 A238 | Y230-G234 PolarHBondContact O-N 3.46Å; V231-G234 PolarHBondContact O-N 2.92Å; G234-A237 PolarHBondContact O-N 2.7Å; G234-A238 WeakPolarHBondContact O-CB 3.39Å; G234-A238 PolarHBondContact O-N 3.37Å |
| 235 | A | 91.8 | Very high | 89.2 | Confident | 64 Ų | 64 | 89 Ų | 89 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V231 A238 G239 | V231-A235 WeakPolarHBondContact O-CB 3.39Å; V231-A235 PolarHBondContact O-N 3.26Å; A235-A238 PolarHBondContact O-N 3.47Å; A235-G239 PolarHBondContact O-N 3.39Å |
| 236 | G | 93.1 | Very high | 90.2 | Very high | 43 Ų | 43 | 91.5 Ų | 91.5 | 44% | 0.443 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y232 I233 G239 L240 | Y232-G236 PolarHBondContact O-N 2.9Å; I233-G236 PolarHBondContact O-N 2.91Å; G236-G239 PolarHBondContact O-N 2.94Å; G236-L240 WeakPolarHBondContact O-CB 3.47Å; G236-L240 PolarHBondContact O-N 3.34Å |
| 237 | A | 93.8 | Very high | 91 | Very high | 55 Ų | 55 | 91 Ų | 91 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I233 G234 L240 V241 | I233-A237 WeakPolarHBondContact O-CB 3.32Å; I233-A237 PolarHBondContact O-N 3.35Å; G234-A237 PolarHBondContact O-N 2.7Å; A237-L240 PolarHBondContact O-N 3.45Å; A237-V241 WeakPolarHBondContact O-CG2 3Å; A237-V241 PolarHBondContact O-N 3.47Å |
| 238 | A | 93.2 | Very high | 91.6 | Very high | 54 Ų | 54 | 87.9 Ų | 87.9 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | G234 A235 L240 V241 L242 | G234-A238 WeakPolarHBondContact O-CB 3.39Å; G234-A238 PolarHBondContact O-N 3.37Å; A235-A238 PolarHBondContact O-N 3.47Å; A238-L240 PolarHBondContact O-N 3.03Å; A238-V241 PolarHBondContact O-N 3.32Å; A238-L242 WeakPolarHBondContact O-CG 3.44Å; A238-L242 PolarHBondContact O-N 2.99Å |
| 239 | G | 92.8 | Very high | 92.2 | Very high | 38 Ų | 38 | 89 Ų | 89 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A235 G236 L242 F243 | A235-G239 PolarHBondContact O-N 3.39Å; G236-G239 PolarHBondContact O-N 2.94Å; G239-L242 PolarHBondContact O-N 3.02Å; G239-F243 WeakPolarHBondContact O-CB 3.27Å; G239-F243 PolarHBondContact O-N 3.43Å |
| 240 | L | 94.3 | Very high | 92.3 | Very high | 106 Ų | 106 | 86.1 Ų | 86.1 | 56% | 0.555 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 177.3 | -120.8 | 160.9 | 0 | 0 | 0 | 112.1 | G236 A237 A238 F243 I244 | G236-L240 WeakPolarHBondContact O-CB 3.47Å; G236-L240 PolarHBondContact O-N 3.34Å; A237-L240 PolarHBondContact O-N 3.45Å; A238-L240 PolarHBondContact O-N 3.03Å; L240-F243 PolarHBondContact O-N 2.98Å; L240-I244 HydrophobicContact CD2-CD1 3.83Å; L240-I244 HydrophobicContact CD2-CG1 4.28Å; L240-I244 VanDerWaalsContact O-CG1 3.27Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 3.22Å |
| 241 | V | 94.8 | Very high | 92.5 | Very high | 99 Ų | 99 | 83.7 Ų | 83.7 | 60% | 0.6 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | A237 A238 I244 S245 | A237-V241 WeakPolarHBondContact O-CG2 3Å; A237-V241 PolarHBondContact O-N 3.47Å; A238-V241 PolarHBondContact O-N 3.32Å; V241-I244 PolarHBondContact O-N 2.88Å; V241-S245 WeakPolarHBondContact O-CB 3.4Å; V241-S245 PolarHBondContact O-N 2.97Å |
| 242 | L | 94.1 | Very high | 92.5 | Very high | 119 Ų | 119 | 89.5 Ų | 89.5 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 176.6 | -71.3 | 175.8 | 0 | 0 | 0 | 111.6 | A238 G239 S245 F246 | A238-L242 WeakPolarHBondContact O-CG 3.44Å; A238-L242 PolarHBondContact O-N 2.99Å; G239-L242 PolarHBondContact O-N 3.02Å; L242-S245 PolarHBondContact O-N 3.43Å; L242-S245 PolarHBondContact O-OG 3.37Å; L242-F246 WeakPolarHBondContact O-CB 3.31Å; L242-F246 PolarHBondContact O-N 2.91Å |
| 243 | F | 93.4 | Very high | 92.2 | Very high | 128 Ų | 128 | 87.2 Ų | 87.2 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 177.6 | -174.9 | -106.6 | 0 | 0 | 0 | 112.3 | G239 L240 S245 F246 L247 | G239-F243 WeakPolarHBondContact O-CB 3.27Å; G239-F243 PolarHBondContact O-N 3.43Å; L240-F243 PolarHBondContact O-N 2.98Å; F243-S245 VanDerWaalsContact C-N 3.33Å; F243-S245 PolarHBondContact O-N 3.45Å; F243-F246 PolarHBondContact O-N 3.01Å; F243-L247 HydrophobicContact CD1-CD1 3.8Å; F243-L247 HydrophobicContact CD1-CG 4.32Å; F243-L247 HydrophobicContact CE1-CD1 3.4Å; F243-L247 HydrophobicContact CE1-CG 4.04Å; F243-L247 HydrophobicContact CZ-CD1 3.95Å; F243-L247 HydrophobicContact CZ-CD2 4.31Å; F243-L247 HydrophobicContact CZ-CG 4.19Å; F243-L247 WeakPolarHBondContact O-CG 3.49Å; F243-L247 PolarHBondContact O-N 3.3Å |
| 244 | I | 93.9 | Very high | 91.8 | Very high | 83 Ų | 83 | 90.9 Ų | 90.9 | 43% | 0.426 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.5 | -68 | 166.7 | 0 | 0 | 0 | 110.5 | L240 V241 F246 L247 I248 | L240-I244 HydrophobicContact CD2-CD1 3.83Å; L240-I244 HydrophobicContact CD2-CG1 4.28Å; L240-I244 VanDerWaalsContact O-CG1 3.27Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 3.22Å; V241-I244 PolarHBondContact O-N 2.88Å; I244-F246 VanDerWaalsContact C-N 3.33Å; I244-F246 PolarHBondContact O-N 2.96Å; I244-L247 PolarHBondContact O-N 2.89Å; I244-I248 HydrophobicContact CG2-CD1 3.8Å; I244-I248 HydrophobicContact CG2-CG1 4.4Å; I244-I248 VanDerWaalsContact O-CG1 3.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.33Å; I244-I248 PolarHBondContact O-N 3.11Å |
| 245 | S | 93.2 | Very high | 91.4 | Very high | 56 Ų | 56 | 94.9 Ų | 94.9 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 177.4 | 82 | 0 | 0 | 0 | 0 | 111.7 | V241 L242 F243 I248 L249 | V241-S245 WeakPolarHBondContact O-CB 3.4Å; V241-S245 PolarHBondContact O-N 2.97Å; L242-S245 PolarHBondContact O-N 3.43Å; L242-S245 PolarHBondContact O-OG 3.37Å; F243-S245 VanDerWaalsContact C-N 3.33Å; F243-S245 PolarHBondContact O-N 3.45Å; S245-I248 PolarHBondContact O-N 2.93Å; S245-L249 WeakPolarHBondContact O-CB 3.47Å; S245-L249 PolarHBondContact O-N 3.14Å |
| 246 | F | 93.9 | Very high | 90.9 | Very high | 142 Ų | 142 | 97.9 Ų | 97.9 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -43 | 177.2 | -177 | -98.5 | 0 | 0 | 0 | 111.7 | L242 F243 I244 I248 L249 A250 | L242-F246 WeakPolarHBondContact O-CB 3.31Å; L242-F246 PolarHBondContact O-N 2.91Å; F243-F246 PolarHBondContact O-N 3.01Å; I244-F246 VanDerWaalsContact C-N 3.33Å; I244-F246 PolarHBondContact O-N 2.96Å; F246-I248 PolarHBondContact O-N 2.67Å; F246-L249 PolarHBondContact O-N 3.01Å; F246-A250 VanDerWaalsContact O-CB 3.32Å; F246-A250 WeakPolarHBondContact O-CB 3.02Å; F246-A250 PolarHBondContact O-N 3.36Å |
| 247 | L | 92.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 102 Ų | 102 | 41% | 0.408 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 174.3 | -74.6 | 178.8 | 0 | 0 | 0 | 111.7 | F243 I244 L249 A250 L251 | F243-L247 HydrophobicContact CD1-CD1 3.8Å; F243-L247 HydrophobicContact CD1-CG 4.32Å; F243-L247 HydrophobicContact CE1-CD1 3.4Å; F243-L247 HydrophobicContact CE1-CG 4.04Å; F243-L247 HydrophobicContact CZ-CD1 3.95Å; F243-L247 HydrophobicContact CZ-CD2 4.31Å; F243-L247 HydrophobicContact CZ-CG 4.19Å; F243-L247 WeakPolarHBondContact O-CG 3.49Å; F243-L247 PolarHBondContact O-N 3.3Å; I244-L247 PolarHBondContact O-N 2.89Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 2.99Å; L247-A250 PolarHBondContact O-N 3.43Å; L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 2.83Å |
| 248 | I | 93.1 | Very high | 89.3 | Confident | 84 Ų | 84 | 108.4 Ų | 108.4 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.3 | -68 | 166.1 | 0 | 0 | 0 | 110.3 | I244 S245 F246 L251 R252 | I244-I248 HydrophobicContact CG2-CD1 3.8Å; I244-I248 HydrophobicContact CG2-CG1 4.4Å; I244-I248 VanDerWaalsContact O-CG1 3.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.33Å; I244-I248 PolarHBondContact O-N 3.11Å; S245-I248 PolarHBondContact O-N 2.93Å; F246-I248 PolarHBondContact O-N 2.67Å; I248-L251 PolarHBondContact O-N 3.36Å; I248-R252 WeakPolarHBondContact O-CG 3.26Å; I248-R252 PolarHBondContact O-N 2.93Å |
| 249 | L | 92.6 | Very high | 88.1 | Confident | 104 Ų | 104 | 113.4 Ų | 113.4 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 179.8 | -136.7 | 137.1 | 0 | 0 | 0 | 111.2 | S245 F246 L247 L251 R252 L253 | S245-L249 WeakPolarHBondContact O-CB 3.47Å; S245-L249 PolarHBondContact O-N 3.14Å; F246-L249 PolarHBondContact O-N 3.01Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 2.99Å; L249-L251 PolarHBondContact O-N 3.33Å; L249-R252 PolarHBondContact O-N 3.03Å; L249-L253 HydrophobicContact CD2-CD1 4.05Å; L249-L253 HydrophobicContact CD2-CG 4.47Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 3.48Å |
| 250 | A | 90 | Very high | 86.8 | Confident | 28 Ų | 28 | 116.3 Ų | 116.3 | 23% | 0.231 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F246 L247 L253 R254 | F246-A250 VanDerWaalsContact O-CB 3.32Å; F246-A250 WeakPolarHBondContact O-CB 3.02Å; F246-A250 PolarHBondContact O-N 3.36Å; L247-A250 PolarHBondContact O-N 3.43Å; A250-L253 PolarHBondContact O-N 2.87Å; A250-R254 WeakPolarHBondContact O-CB 3.36Å; A250-R254 WeakPolarHBondContact O-CG 3.37Å; A250-R254 PolarHBondContact O-N 3.21Å |
| 251 | L | 89.7 | Confident | 85.2 | Confident | 111 Ų | 111 | 116 Ų | 116 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -39.4 | 175.3 | -71.8 | 174.5 | 0 | 0 | 0 | 111.9 | L247 I248 L249 R254 K255 | L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 2.83Å; I248-L251 PolarHBondContact O-N 3.36Å; L249-L251 PolarHBondContact O-N 3.33Å; L251-R254 PolarHBondContact O-N 3.3Å; L251-K255 WeakPolarHBondContact O-CB 3.38Å; L251-K255 PolarHBondContact O-N 3.23Å |
| 252 | R | 88.9 | Confident | 83.5 | Confident | 190 Ų | 190 | 119.2 Ų | 119.2 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 174.2 | -73.9 | -161.3 | -165.5 | -143.8 | 8.2 | 111.8 | I248 L249 K255 K256 | I248-R252 WeakPolarHBondContact O-CG 3.26Å; I248-R252 PolarHBondContact O-N 2.93Å; L249-R252 PolarHBondContact O-N 3.03Å; R252-K255 PolarHBondContact O-N 3.43Å; R252-K256 WeakPolarHBondContact O-CB 3.37Å; R252-K256 PolarHBondContact O-N 3.47Å |
| 253 | L | 84.9 | Confident | 81.8 | Confident | 106 Ų | 106 | 123 Ų | 123 | 56% | 0.555 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -43.6 | 176.5 | -70.5 | 173.4 | 0 | 0 | 0 | 111.6 | L249 A250 K255 K256 K257 | L249-L253 HydrophobicContact CD2-CD1 4.05Å; L249-L253 HydrophobicContact CD2-CG 4.47Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 3.48Å; A250-L253 PolarHBondContact O-N 2.87Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 2.89Å; L253-K256 PolarHBondContact O-N 3.39Å; L253-K257 PolarHBondContact O-N 2.9Å |
| 254 | R | 83.1 | Confident | 80 | Confident | 179 Ų | 179 | 121.9 Ų | 121.9 | 68% | 0.675 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.4 | -41.2 | 173 | -74.7 | -179.4 | -179.2 | -167.9 | 1.7 | 112 | A250 L251 R258 | A250-R254 WeakPolarHBondContact O-CB 3.36Å; A250-R254 WeakPolarHBondContact O-CG 3.37Å; A250-R254 PolarHBondContact O-N 3.21Å; L251-R254 PolarHBondContact O-N 3.3Å; R254-R258 PolarHBondContact O-N 3.43Å |
| 255 | K | 81.8 | Confident | 78.2 | Confident | 126 Ų | 126 | 126.4 Ų | 126.4 | 55% | 0.548 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.4 | -37.3 | 176.2 | -167.1 | 174.7 | -175.9 | 174.7 | 0 | 111.7 | L251 R252 L253 R259 | L251-K255 WeakPolarHBondContact O-CB 3.38Å; L251-K255 PolarHBondContact O-N 3.23Å; R252-K255 PolarHBondContact O-N 3.43Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 2.89Å; K255-R259 VanDerWaalsContact O-CG 3.27Å; K255-R259 WeakPolarHBondContact O-CG 3.4Å; K255-R259 PolarHBondContact O-N 3.34Å; K255-R259 VanDerWaalsContact O-N 3.09Å |
| 256 | K | 82.1 | Confident | 76.2 | Confident | 126 Ų | 126 | 129.4 Ų | 129.4 | 55% | 0.548 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.6 | -49.5 | 174.3 | -173.5 | -178.3 | 174.8 | -172.3 | 0 | 111.1 | R252 L253 R258 R259 E260 | R252-K256 WeakPolarHBondContact O-CB 3.37Å; R252-K256 PolarHBondContact O-N 3.47Å; L253-K256 PolarHBondContact O-N 3.39Å; K256-R258 PolarHBondContact O-N 3.45Å; K256-R259 WeakPolarHBondContact O-CA 3.44Å; K256-R259 WeakPolarHBondContact O-CB 3.37Å; K256-R259 PolarHBondContact O-N 2.94Å; K256-E260 VanDerWaalsContact CE-OE1 3.26Å; K256-E260 WeakPolarHBondContact CE-OE1 3.41Å; K256-E260 PolarHBondContact O-N 3.06Å |
| 257 | K | 78.7 | Confident | 74 | Confident | 130 Ų | 130 | 128.5 Ų | 128.5 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.1 | -44.3 | 176.4 | -171.7 | 177.7 | 177.9 | 179.9 | 0 | 112.3 | L253 R259 E260 E261 | L253-K257 PolarHBondContact O-N 2.9Å; K257-R259 VanDerWaalsContact C-N 3.28Å; K257-R259 PolarHBondContact O-N 3.36Å; K257-E260 PolarHBondContact O-N 3.43Å; K257-E260 VanDerWaalsContact O-N 3.14Å; K257-E261 WeakPolarHBondContact CE-OE1 3.27Å; K257-E261 PolarHBondContact O-N 3.02Å |
| 258 | R | 73.9 | Confident | 72 | Confident | 190 Ų | 190 | 130.2 Ų | 130.2 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.5 | -34.8 | 173.4 | -94.4 | -154.1 | -78.9 | -168.2 | -5.9 | 113.3 | R254 K256 Y262 | R254-R258 PolarHBondContact O-N 3.43Å; K256-R258 PolarHBondContact O-N 3.45Å; R258-Y262 WeakPolarHBondContact O-CB 3.33Å; R258-Y262 PolarHBondContact O-N 3.09Å |
| 259 | R | 67.5 | Low | 69.9 | Low | 158 Ų | 158 | 132.5 Ų | 132.5 | 60% | 0.596 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70 | -36.1 | 175.4 | -74.3 | 170.5 | 175.7 | -168 | -3.7 | 111.9 | K255 K256 K257 Y262 R263 | K255-R259 VanDerWaalsContact O-CG 3.27Å; K255-R259 WeakPolarHBondContact O-CG 3.4Å; K255-R259 PolarHBondContact O-N 3.34Å; K255-R259 VanDerWaalsContact O-N 3.09Å; K256-R259 WeakPolarHBondContact O-CA 3.44Å; K256-R259 WeakPolarHBondContact O-CB 3.37Å; K256-R259 PolarHBondContact O-N 2.94Å; K257-R259 VanDerWaalsContact C-N 3.28Å; K257-R259 PolarHBondContact O-N 3.36Å; R259-Y262 PolarHBondContact O-N 2.91Å; R259-R263 PolarHBondContact O-N 3.43Å |
| 260 | E | 65.9 | Low | 67.8 | Low | 100 Ų | 100 | 136.5 Ų | 136.5 | 47% | 0.467 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.1 | -45.7 | 174.6 | -72.9 | 166.1 | -176.4 | 0 | 0 | 111 | K256 K257 Y262 R263 V264 | K256-E260 VanDerWaalsContact CE-OE1 3.26Å; K256-E260 WeakPolarHBondContact CE-OE1 3.41Å; K256-E260 PolarHBondContact O-N 3.06Å; K257-E260 PolarHBondContact O-N 3.43Å; K257-E260 VanDerWaalsContact O-N 3.14Å; E260-Y262 VanDerWaalsContact C-N 3.31Å; E260-Y262 PolarHBondContact O-N 3.23Å; E260-R263 PolarHBondContact O-N 3.45Å; E260-R263 VanDerWaalsContact O-N 3.11Å; E260-V264 WeakPolarHBondContact O-CG2 3.37Å; E260-V264 PolarHBondContact O-N 2.92Å |
| 261 | E | 61.5 | Low | 65.7 | Low | 100 Ų | 100 | 146 Ų | 146 | 47% | 0.467 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -60.2 | -37.9 | 173.6 | -72.5 | 171 | -172.5 | 0 | 0 | 112.5 | K257 K265 | K257-E261 WeakPolarHBondContact CE-OE1 3.27Å; K257-E261 PolarHBondContact O-N 3.02Å; E261-K265 WeakPolarHBondContact O-CG 3.27Å; E261-K265 PolarHBondContact O-N 3.05Å |
| 262 | Y | 57.8 | Low | 63.7 | Low | 166 Ų | 166 | 148.8 Ų | 148.8 | 65% | 0.651 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.7 | -35.9 | 174.2 | -162.7 | -93.1 | 0 | 0 | 0 | 112.5 | R258 R259 E260 K265 L266 | R258-Y262 WeakPolarHBondContact O-CB 3.33Å; R258-Y262 PolarHBondContact O-N 3.09Å; R259-Y262 PolarHBondContact O-N 2.91Å; E260-Y262 VanDerWaalsContact C-N 3.31Å; E260-Y262 PolarHBondContact O-N 3.23Å; Y262-K265 PolarHBondContact O-N 3.42Å; Y262-L266 HydrophobicContact CD1-CD1 3.92Å; Y262-L266 HydrophobicContact CE1-CD1 3.67Å; Y262-L266 WeakPolarHBondContact O-CD1 3.21Å; Y262-L266 PolarHBondContact O-N 2.98Å |
| 263 | R | 58.1 | Low | 61.5 | Low | 198 Ų | 198 | 145.4 Ų | 145.4 | 75% | 0.747 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.8 | -38.1 | 175 | -86.5 | -173 | 174.2 | 172 | -2.7 | 112.7 | R259 E260 K265 L266 | R259-R263 PolarHBondContact O-N 3.43Å; E260-R263 PolarHBondContact O-N 3.45Å; E260-R263 VanDerWaalsContact O-N 3.11Å; R263-K265 VanDerWaalsContact C-N 3.26Å; R263-K265 PolarHBondContact O-N 2.9Å; R263-L266 PolarHBondContact O-N 2.87Å |
| 264 | V | 56 | Low | 59.5 | Low | 104 Ų | 104 | 147.6 Ų | 147.6 | 63% | 0.63 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -62.8 | -35.7 | 174.7 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | E260 L266 H267 | E260-V264 WeakPolarHBondContact O-CG2 3.37Å; E260-V264 PolarHBondContact O-N 2.92Å; V264-L266 PolarHBondContact O-N 3.35Å; V264-H267 PolarHBondContact O-N 3.01Å |
| 265 | K | 56.1 | Low | 57.8 | Low | 178 Ų | 178 | 146.4 Ų | 146.4 | 77% | 0.774 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -12.9 | 172.7 | -71.8 | 177.5 | -179.6 | -178.1 | 0 | 115 | E261 Y262 R263 | E261-K265 WeakPolarHBondContact O-CG 3.27Å; E261-K265 PolarHBondContact O-N 3.05Å; Y262-K265 PolarHBondContact O-N 3.42Å; R263-K265 VanDerWaalsContact C-N 3.26Å; R263-K265 PolarHBondContact O-N 2.9Å |
| 266 | L | 52.3 | Low | 56.3 | Low | 120 Ų | 120 | 150.7 Ų | 150.7 | 63% | 0.628 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 3.3 | 177.1 | -99.2 | 89.2 | 0 | 0 | 0 | 113.6 | Y262 R263 V264 | Y262-L266 HydrophobicContact CD1-CD1 3.92Å; Y262-L266 HydrophobicContact CE1-CD1 3.67Å; Y262-L266 WeakPolarHBondContact O-CD1 3.21Å; Y262-L266 PolarHBondContact O-N 2.98Å; R263-L266 PolarHBondContact O-N 2.87Å; V264-L266 PolarHBondContact O-N 3.35Å |
| 267 | H | 47.3 | Very low | 54.4 | Low | 123 Ų | 123 | 152.9 Ų | 152.9 | 57% | 0.569 | 71% | 0.71 | S | S | * | * | trans | -60.5 | 130.1 | 177.4 | -106 | -89.7 | 0 | 0 | 0 | 111 | V264 T269 | V264-H267 PolarHBondContact O-N 3.01Å; H267-T269 PolarHBondContact O-N 2.96Å | ||
| 268 | P | 49.9 | Very low | 53.2 | Low | 113 Ų | 113 | 154.4 Ų | 154.4 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -71.4 | 1.4 | -171 | 24.5 | -30.1 | 0 | 0 | 0 | 114.9 | ||
| 269 | T | 49 | Very low | 51.8 | Low | 133 Ų | 133 | 151.1 Ų | 151.1 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -84.6 | -3.4 | -177.9 | 34.9 | 0 | 0 | 0 | 0 | 114.7 | H267 | H267-T269 PolarHBondContact O-N 2.96Š|
| 270 | Q | 49 | Very low | 50.7 | Low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -126 | 34.2 | 179.9 | -147.7 | 175.2 | 14.9 | 0 | 0 | 113.7 | ||
| 271 | R | 45.9 | Very low | 49.7 | Very low | 227 Ų | 227 | 152.7 Ų | 152.7 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | trans | -85.9 | 115.6 | 163 | -103.6 | -177.4 | 179 | 174.3 | -0.3 | 109.3 | ||||
| 272 | Q | 48 | Very low | 48.7 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 141.2 | 156 | -85 | 177.1 | -35.5 | 0 | 0 | 109 | N274 | Q272-N274 PolarHBondContact O-N 3.14Š|
| 273 | P | 42.1 | Very low | 48 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 118.8 | 173.6 | 26.7 | -27.8 | 0 | 0 | 0 | 108.8 | I275 | P273-I275 PolarHBondContact O-N 3.48Š|
| 274 | N | 43.4 | Very low | 47.4 | Very low | 153 Ų | 153 | 153.6 Ų | 153.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120.6 | 175.1 | -80.3 | -29.7 | 0 | 0 | 0 | 109.8 | Q272 Y276 | Q272-N274 PolarHBondContact O-N 3.14Å; N274-Y276 PolarHBondContact O-N 3.26Å; N274-Y276 VanDerWaalsContact O-N 3.14Å |
| 275 | I | 47.5 | Very low | 46.7 | Very low | 153 Ų | 153 | 156.4 Ų | 156.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -74 | 86.5 | 177.2 | -63.2 | 162.2 | 0 | 0 | 0 | 109 | P273 | P273-I275 PolarHBondContact O-N 3.48Š| ||
| 276 | Y | 49.3 | Very low | 45.9 | Very low | 217 Ų | 217 | 153.7 Ų | 153.7 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -151.5 | 48.9 | 159.1 | -83.9 | -76.6 | 0 | 0 | 0 | 109.6 | N274 | N274-Y276 PolarHBondContact O-N 3.26Å; N274-Y276 VanDerWaalsContact O-N 3.14Å | ||
| 277 | E | 43.7 | Very low | 45.4 | Very low | 172 Ų | 172 | 157.1 Ų | 157.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -93.2 | 138.3 | 146.9 | -92.6 | 175.9 | 157.6 | 0 | 0 | 106.3 | ||||
| 278 | N | 53.2 | Low | 44.8 | Very low | 161 Ų | 161 | 161.3 Ų | 161.3 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | 97.2 | 70 | -176.3 | -46.8 | -45.9 | 0 | 0 | 0 | 115.3 | ||||
| 279 | V | 44.5 | Very low | 44.4 | Very low | 121 Ų | 121 | 161.6 Ų | 161.6 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | trans | -126.8 | 127.9 | 146.5 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 280 | P | 44.2 | Very low | 44 | Very low | 115 Ų | 115 | 165 Ų | 165 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | trans | -70.4 | 141.9 | -172.6 | -11.7 | 26.8 | 0 | 0 | 0 | 112.2 | C282 | P280-C282 PolarHBondContact O-N 3.43Š| ||
| 281 | L | 44.7 | Very low | 43.6 | Very low | 177 Ų | 177 | 165 Ų | 165 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | trans | -59.1 | 124.4 | 167.5 | -83.6 | 127.6 | 0 | 0 | 0 | 111 | ||||
| 282 | C | 41.4 | Very low | 43.2 | Very low | 119 Ų | 119 | 160.8 Ų | 160.8 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -116.6 | 149.5 | 162.6 | -85.1 | 0 | 0 | 0 | 0 | 110.7 | P280 | P280-C282 PolarHBondContact O-N 3.43Š| ||
| 283 | P | 43.1 | Very low | 43 | Very low | 118 Ų | 118 | 161.5 Ų | 161.5 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | trans | -81.9 | 154.3 | -148.3 | 29.6 | -34 | 0 | 0 | 0 | 115.6 | I285 | P283-I285 PolarHBondContact O-N 3.27Š| ||
| 284 | R | 44 | Very low | 42.9 | Very low | 246 Ų | 246 | 161 Ų | 161 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | trans | -58 | 109.7 | 178.1 | -147.6 | -179.7 | -155.8 | 174.5 | 5.3 | 111.1 | ||||
| 285 | I | 43.1 | Very low | 42.8 | Very low | 163 Ų | 163 | 162.6 Ų | 162.6 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | trans | -101.9 | 128.5 | 164.5 | -65.4 | 177.3 | 0 | 0 | 0 | 109.2 | P283 | P283-I285 PolarHBondContact O-N 3.27Š| ||
| 286 | V | 38.3 | Very low | 43.2 | Very low | 121 Ų | 121 | 159.4 Ų | 159.4 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -78.2 | 134.2 | -171.3 | 173.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 287 | K | 42.3 | Very low | 43 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 11.7 | 127.4 | 158.9 | -69.6 | 177.9 | 175.1 | 176.9 | 0 | 119.1 | ||||
| 288 | K | 35 | Very low | 42.9 | Very low | 211 Ų | 211 | 158.8 Ų | 158.8 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | -140.1 | 132.2 | 128.7 | -75 | -167.3 | 177.8 | 174.7 | 0 | 110.9 | |||||
| 289 | S | 39.8 | Very low | 42.7 | Very low | 118 Ų | 118 | 155.3 Ų | 155.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -70.7 | 139.1 | 172.5 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 290 | K | 41.3 | Very low | 42.2 | Very low | 206 Ų | 206 | 157.6 Ų | 157.6 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | trans | -137.8 | 132.8 | 155.9 | -85.3 | -168.5 | 175.8 | 177.7 | 0 | 110.5 | ||||
| 291 | Q | 40.3 | Very low | 42.6 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -54.3 | 139.9 | -168.9 | -77.4 | 160.6 | -40.4 | 0 | 0 | 114.6 | K293 | Q291-K293 PolarHBondContact O-N 3.42Š| ||
| 292 | T | 38.5 | Very low | 42.3 | Very low | 138 Ų | 138 | 157 Ų | 157 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | -37.2 | 120 | 153.9 | -34.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 293 | K | 42.4 | Very low | 42.3 | Very low | 185 Ų | 185 | 156.4 Ų | 156.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -113 | 112.2 | 154.8 | -80.9 | -173.2 | 176.2 | -177.2 | 0 | 107.5 | Q291 | Q291-K293 PolarHBondContact O-N 3.42Š| ||
| 294 | S | 41.7 | Very low | 42.1 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 129.7 | 171.6 | 53.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 295 | F | 41.3 | Very low | 42 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 125.8 | 161.4 | -68.8 | -80.9 | 0 | 0 | 0 | 107.4 | ||
| 296 | P | 54.9 | Low | 41.7 | Very low | 87 Ų | 87 | 152 Ų | 152 | 57% | 0.565 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74 | 133.8 | 177.4 | 28.1 | -31.2 | 0 | 0 | 0 | 110.9 | Y298 | P296-Y298 HydrophobicContact CG-CE2 4.03Š|
| 297 | I | 45.4 | Very low | 41.9 | Very low | 168 Ų | 168 | 154.4 Ų | 154.4 | 86% | 0.862 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -86 | 116.6 | 169.1 | -60.7 | 171.5 | 0 | 0 | 0 | 106.7 | ||
| 298 | Y | 41.9 | Very low | 41.8 | Very low | 207 Ų | 207 | 154.3 Ų | 154.3 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 127.1 | 175.6 | -64.7 | -88.5 | 0 | 0 | 0 | 109.9 | P296 | P296-Y298 HydrophobicContact CG-CE2 4.03Š|
| 299 | A | 49.1 | Very low | 41.7 | Very low | 88 Ų | 88 | 150.9 Ų | 150.9 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -117.7 | 135.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 300 | N | 34.6 | Very low | 41.5 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -92.3 | 117.1 | -179.7 | -150.7 | 4.3 | 0 | 0 | 0 | 108.6 | ||||
| 301 | L | 51.8 | Low | 41.2 | Very low | 154 Ų | 154 | 157.2 Ų | 157.2 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | trans | -115.1 | 123 | 177.9 | -81.7 | 156.8 | 0 | 0 | 0 | 109.3 | ||||
| 302 | P | 38.4 | Very low | 41 | Very low | 124 Ų | 124 | 157.2 Ų | 157.2 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | trans | -72.1 | 131.9 | 174.9 | 26.3 | -29.6 | 0 | 0 | 0 | 111.2 | G304 | P302-G304 PolarHBondContact O-N 3.42Š| ||
| 303 | A | 40.8 | Very low | 41.2 | Very low | 108 Ų | 108 | 156.7 Ų | 156.7 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -74.2 | 115.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 304 | G | 39.8 | Very low | 41 | Very low | 78 Ų | 78 | 157.4 Ų | 157.4 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 118.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | P302 | P302-G304 PolarHBondContact O-N 3.42Š|
| 305 | R | 41 | Very low | 40.8 | Very low | 246 Ų | 246 | 159.9 Ų | 159.9 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 138.7 | -177.9 | -80 | 174.6 | 169.5 | 167.6 | -4 | 113.2 | ||
| 306 | S | 37.4 | Very low | 40.9 | Very low | 111 Ų | 111 | 160.2 Ų | 160.2 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130.4 | 171.7 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 307 | L | 42 | Very low | 40 | Very low | 170 Ų | 170 | 166.3 Ų | 166.3 | 89% | 0.89 | 86% | 0.86 | S | S | * | * | trans | -114 | 114.1 | 161 | -105.4 | 141.7 | 0 | 0 | 0 | 108.3 | ||||
| 308 | Q | 39.6 | Very low | 39.7 | Very low | 191 Ų | 191 | 169.2 Ų | 169.2 | 89% | 0.893 | 86% | 0.86 | S | S | * | * | trans | -68.1 | 131.7 | 179.1 | -76 | -179.6 | -13.2 | 0 | 0 | 111.1 | ||||
| 309 | T | 33.8 | Very low | 39.6 | Very low | 139 Ų | 139 | 169.2 Ų | 169.2 | 85% | 0.853 | 86% | 0.864 | S | S | * | * | trans | -81.2 | 125.4 | 170.6 | -2.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 310 | K | 35.8 | Very low | 38.9 | Very low | 210 Ų | 210 | 168.2 Ų | 168.2 | 91% | 0.913 | 86% | 0.863 | S | S | * | * | trans | -113.9 | 114.5 | 160.4 | -137.1 | 178.3 | -173.2 | -178.9 | 0 | 108 | ||||
| 311 | R | 34 | Very low | 39.2 | Very low | 246 Ų | 246 | 165 Ų | 165 | 93% | 0.928 | 86% | 0.859 | S | S | * | * | trans | -76 | 137.2 | 175.3 | -79 | 177.7 | 173.7 | 173.6 | -2.2 | 110 | ||||
| 312 | Q | 36 | Very low | 38.5 | Very low | 188 Ų | 188 | 169.8 Ų | 169.8 | 88% | 0.879 | 89% | 0.885 | S | S | * | * | trans | -128.5 | 141.1 | 155.8 | -117.7 | -177.2 | -4 | 0 | 0 | 108.2 | ||||
| 313 | P | 44.4 | Very low | 38.5 | Very low | 126 Ų | 126 | 172.1 Ų | 172.1 | 82% | 0.818 | 89% | 0.889 | S | S | * | * | trans | -90.7 | 138.6 | -175.3 | 33.3 | -27.1 | 0 | 0 | 0 | 111.1 | ||||
| 314 | Q | 37 | Very low | 38.4 | Very low | 201 Ų | 201 | 175.4 Ų | 175.4 | 94% | 0.939 | 89% | 0.888 | S | S | * | * | trans | -105.7 | 115.8 | 167.6 | -110.7 | -176.6 | -8 | 0 | 0 | 109.8 | ||||
| 315 | D | 37 | Very low | 38.3 | Very low | 159 Ų | 159 | 180.8 Ų | 180.8 | 85% | 0.85 | 89% | 0.893 | S | S | * | * | trans | -88.7 | 147.4 | 175.5 | -156.8 | -3.8 | 0 | 0 | 0 | 110.5 | ||||
| 316 | K | 43.5 | Very low | 38.1 | Very low | 193 Ų | 193 | 177 Ų | 177 | 84% | 0.839 | 89% | 0.891 | S | S | * | * | trans | -74.4 | 142.3 | 177.9 | -80.4 | 171.6 | 172.1 | 171.7 | 0 | 110.1 | ||||
| 317 | K | 37.1 | Very low | 38.2 | Very low | 216 Ų | 216 | 181.1 Ų | 181.1 | 94% | 0.939 | 90% | 0.898 | S | S | * | * | trans | -161.7 | 147.5 | 139.7 | -112.2 | 165.1 | -170.4 | 179.2 | 0 | 113.8 | ||||
| 318 | R | 39.3 | Very low | 37.9 | Very low | 229 Ų | 229 | 181.9 Ų | 181.9 | 86% | 0.864 | 90% | 0.899 | S | S | * | * | trans | -119 | 157.4 | -176.5 | -172.9 | -176.6 | -173.7 | -169.5 | 3.2 | 107.5 | ||||
| 319 | K | 39.5 | Very low | 37.8 | Very low | 206 Ų | 206 | 181.2 Ų | 181.2 | 90% | 0.896 | 90% | 0.899 | S | S | * | * | trans | 86.8 | 144.3 | 173.5 | -55.7 | -179.3 | 175.1 | -174.5 | 0 | 114.3 | ||||
| 320 | G | 34.5 | Very low | 38.1 | Very low | 67 Ų | 67 | 184.5 Ų | 184.5 | 69% | 0.691 | 90% | 0.903 | S | S | * | * | cis | -169.6 | 151.9 | -0.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 321 | A | 39.8 | Very low | 38.3 | Very low | 102 Ų | 102 | 182.3 Ų | 182.3 | 84% | 0.843 | 90% | 0.902 | S | S | * | * | 50.6 | 102.7 | 115.9 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 322 | L | 37.6 | Very low | 38.7 | Very low | 255 Ų | 255 | 176.5 Ų | 176.5 | 100% | 1.335 | 90% | 0.899 | S | S | * | * | -155.7 | 0 | 116.6 | -128.5 | 107.3 | 0 | 0 | 0 | 108.8 |
Retrieved 322 of 322 residues in 65.9 ms
(Link to these results)