| 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 | 81.3 | Confident | 81.3 | Confident | 91 Ų | 91 | 51.9 Ų | 51.9 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | 0 | 120.8 | 0 | -66 | 169.5 | -70.1 | 0 | 0 | 107.9 | D6 L7 A10 V22 D23 | M1-D6 HydrophobicContact CB-CB 3.93Å; M1-D6 HydrophobicContact CG-CB 4.34Å; M1-L7 HydrophobicContact CB-CD2 4.1Å; M1-L7 HydrophobicContact CB-CG 4.26Å; M1-L7 HydrophobicContact CE-CD2 3.65Å; M1-L7 HydrophobicContact SD-CD2 3.66Å; M1-L7 HydrophobicContact SD-CG 4.42Å; M1-A10 HydrophobicContact CG-CB 4.33Å; M1-A10 HydrophobicContact SD-CB 3.37Å; M1-A10 WeakPolarHBondContact SD-CB 3.37Å; M1-V22 WeakPolarHBondContact O-CA 3.07Å; M1-D23 PolarHBondContact N-OD2 2.97Å; M1-D23 PolarHBondContact O-N 3.49Å | |||
| 2 | R | 82.1 | Confident | 79.7 | Confident | 134 Ų | 134 | 50.3 Ų | 50.3 | 51% | 0.506 | 28% | 0.281 | S | S | . | . | trans | -96.6 | -17.3 | -165 | -61.9 | -170.3 | -175.8 | -157.4 | -0.5 | 115 | D6 Y109 Y116 | R2-D6 PolarHBondContact N-OD2 3.06Å; R2-Y109 PolarHBondContact O-OH 3.11Å; R2-Y116 HydrophobicContact CB-CD1 4.39Å; R2-Y116 HydrophobicContact CB-CE1 4.21Å | ||
| 3 | D | 81.1 | Confident | 78 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.043 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -153.9 | 178.6 | 177.2 | 61.2 | 34 | 0 | 0 | 0 | 110.9 | C5 D6 L7 Q74 R117 | D3-C5 PolarHBondContact O-N 3.49Å; D3-C5 WeakPolarHBondContact OD1-CA 3.22Å; D3-C5 VanDerWaalsContact OD1-CB 3.31Å; D3-C5 WeakPolarHBondContact OD1-CB 3.5Å; D3-C5 PolarHBondContact OD1-N 2.86Å; D3-D6 PolarHBondContact O-N 2.78Å; D3-D6 PolarHBondContact OD1-N 2.75Å; D3-L7 PolarHBondContact O-N 2.8Å; D3-L7 VanDerWaalsContact O-N 3.14Å; D3-Q74 VanDerWaalsContact CB-OE1 3.27Å; D3-R117 IonicContact OD1-CZ 3.87Å; D3-R117 IonicContact OD1-NH2 2.78Å; D3-R117 PolarHBondContact OD1-NH2 3.33Å; D3-R117 IonicContact OD2-CZ 3.12Å; D3-R117 IonicContact OD2-NE 2.74Å; D3-R117 PolarHBondContact OD2-NE 3.16Å; D3-R117 IonicContact OD2-NH2 2.73Å; D3-R117 PolarHBondContact OD2-NH2 3.3Å |
| 4 | C | 84.3 | Confident | 76.6 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -29.8 | 179.6 | -60.6 | 0 | 0 | 0 | 0 | 113.6 | L7 Q8 C45 F47 T72 Q74 | C4-L7 PolarHBondContact O-N 3.08Å; C4-Q8 PolarHBondContact O-N 3.17Å; C4-C45 VanDerWaalsContact CA-SG 3.58Å; C4-C45 HydrophobicContact CB-CB 3.61Å; C4-C45 WeakPolarHBondContact CB-SG 3.34Å; C4-C45 WeakPolarHBondContact SG-CA 3.32Å; C4-C45 WeakPolarHBondContact SG-CB 3.5Å; C4-C45 CovalentContact SG-SG 2.03Å; C4-C45 PolarHBondContact SG-SG 3.08Å; C4-F47 HydrophobicContact CB-CE1 4.5Å; C4-T72 HydrophobicContact CB-CG2 3.21Å; C4-Q74 HydrophobicContact CB-CB 4.14Å |
| 5 | C | 83.2 | Confident | 75.3 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | D3 L7 Q8 K9 P252 | D3-C5 PolarHBondContact O-N 3.49Å; D3-C5 WeakPolarHBondContact OD1-CA 3.22Å; D3-C5 VanDerWaalsContact OD1-CB 3.31Å; D3-C5 WeakPolarHBondContact OD1-CB 3.5Å; D3-C5 PolarHBondContact OD1-N 2.86Å; C5-L7 VanDerWaalsContact C-N 3.3Å; C5-L7 PolarHBondContact O-N 2.91Å; C5-Q8 PolarHBondContact O-N 3.22Å; C5-K9 WeakPolarHBondContact O-CG 3.24Å; C5-K9 PolarHBondContact O-N 2.85Å; C5-P252 HydrophobicContact CB-CG 3.9Å |
| 6 | D | 83.4 | Confident | 74.8 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 15% | 0.15 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 174.4 | -68.1 | -8.6 | 0 | 0 | 0 | 111.3 | M1 R2 D3 K9 A10 R117 | M1-D6 HydrophobicContact CB-CB 3.93Å; M1-D6 HydrophobicContact CG-CB 4.34Å; R2-D6 PolarHBondContact N-OD2 3.06Å; D3-D6 PolarHBondContact O-N 2.78Å; D3-D6 PolarHBondContact OD1-N 2.75Å; D6-K9 PolarHBondContact O-N 3.18Å; D6-A10 WeakPolarHBondContact O-CB 3.18Å; D6-A10 PolarHBondContact O-N 3.07Å; D6-R117 IonicContact OD1-CZ 3.68Å; D6-R117 IonicContact OD1-NH1 3.81Å; D6-R117 IonicContact OD1-NH2 2.76Å; D6-R117 PolarHBondContact OD1-NH2 3.36Å; D6-R117 IonicContact OD2-NH2 3.72Å |
| 7 | L | 82.4 | Confident | 74.9 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 174.7 | -73.8 | 167.9 | 0 | 0 | 0 | 111.9 | M1 D3 C4 C5 K9 A10 G11 A12 H20 V22 | M1-L7 HydrophobicContact CB-CD2 4.1Å; M1-L7 HydrophobicContact CB-CG 4.26Å; M1-L7 HydrophobicContact CE-CD2 3.65Å; M1-L7 HydrophobicContact SD-CD2 3.66Å; M1-L7 HydrophobicContact SD-CG 4.42Å; D3-L7 PolarHBondContact O-N 2.8Å; D3-L7 VanDerWaalsContact O-N 3.14Å; C4-L7 PolarHBondContact O-N 3.08Å; C5-L7 VanDerWaalsContact C-N 3.3Å; C5-L7 PolarHBondContact O-N 2.91Å; L7-K9 PolarHBondContact O-N 2.86Å; L7-A10 PolarHBondContact O-N 2.7Å; L7-G11 PolarHBondContact O-N 3.47Å; L7-A12 HydrophobicContact CB-CB 4.45Å; L7-A12 HydrophobicContact CD2-CB 4.34Å; L7-A12 PolarHBondContact O-N 2.85Å; L7-H20 HydrophobicContact CD1-CB 3.48Å; L7-H20 VanDerWaalsContact CD1-CB 3.48Å; L7-V22 HydrophobicContact CD1-CG1 3.56Å; L7-V22 HydrophobicContact CG-CG1 4.19Å |
| 8 | Q | 78.9 | Confident | 75.1 | Confident | 40 Ų | 40 | 60.9 Ų | 60.9 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 177.8 | -171.7 | 174.4 | 43.2 | 0 | 0 | 111.6 | C4 C5 A10 G11 V14 F47 T72 Y255 | C4-Q8 PolarHBondContact O-N 3.17Å; C5-Q8 PolarHBondContact O-N 3.22Å; Q8-A10 VanDerWaalsContact C-N 3.26Å; Q8-A10 PolarHBondContact O-N 3.45Å; Q8-G11 PolarHBondContact O-N 3.46Å; Q8-G11 VanDerWaalsContact O-N 3.11Å; Q8-V14 HydrophobicContact CG-CG1 3.79Å; Q8-F47 HydrophobicContact CB-CD1 4.26Å; Q8-F47 HydrophobicContact CB-CE1 3.92Å; Q8-F47 HydrophobicContact CG-CD1 4.42Å; Q8-T72 WeakPolarHBondContact CB-OG1 3.27Å; Q8-T72 PolarHBondContact NE2-OG1 3.02Å; Q8-T72 PolarHBondContact OE1-OG1 3.24Å; Q8-Y255 VanDerWaalsContact OE1-CZ 3.29Å; Q8-Y255 PolarHBondContact OE1-OH 2.76Å |
| 9 | K | 81.2 | Confident | 75.5 | Confident | 139 Ų | 139 | 61.3 Ų | 61.3 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.3 | -29 | 178.9 | -73.7 | -179.1 | 177.2 | -175.7 | 0 | 113.2 | C5 D6 L7 G11 | C5-K9 WeakPolarHBondContact O-CG 3.24Å; C5-K9 PolarHBondContact O-N 2.85Å; D6-K9 PolarHBondContact O-N 3.18Å; L7-K9 PolarHBondContact O-N 2.86Å; K9-G11 PolarHBondContact O-N 2.73Å |
| 10 | A | 82.3 | Confident | 75.8 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 D6 L7 Q8 | M1-A10 HydrophobicContact CG-CB 4.33Å; M1-A10 HydrophobicContact SD-CB 3.37Å; M1-A10 WeakPolarHBondContact SD-CB 3.37Å; D6-A10 WeakPolarHBondContact O-CB 3.18Å; D6-A10 PolarHBondContact O-N 3.07Å; L7-A10 PolarHBondContact O-N 2.7Å; Q8-A10 VanDerWaalsContact C-N 3.26Å; Q8-A10 PolarHBondContact O-N 3.45Å |
| 11 | G | 74.6 | Confident | 76.2 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 58% | 0.577 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 18.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L7 Q8 K9 Q13 | L7-G11 PolarHBondContact O-N 3.47Å; Q8-G11 PolarHBondContact O-N 3.46Å; Q8-G11 VanDerWaalsContact O-N 3.11Å; K9-G11 PolarHBondContact O-N 2.73Å; G11-Q13 PolarHBondContact O-N 2.75Å; G11-Q13 VanDerWaalsContact O-N 3.15Å |
| 12 | A | 62 | Low | 76.3 | Confident | 32 Ų | 32 | 61 Ų | 61 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | trans | -61.9 | 115.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L7 V14 | L7-A12 HydrophobicContact CB-CB 4.45Å; L7-A12 HydrophobicContact CD2-CB 4.34Å; L7-A12 PolarHBondContact O-N 2.85Å; A12-V14 VanDerWaalsContact O-CA 3.29Å; A12-V14 WeakPolarHBondContact O-CA 3.33Å; A12-V14 WeakPolarHBondContact O-CG2 3.23Å; A12-V14 PolarHBondContact O-N 3.07Å | ||
| 13 | Q | 57.4 | Low | 76.4 | Confident | 172 Ų | 172 | 58 Ų | 58 | 80% | 0.804 | 32% | 0.318 | S | S | * | . | trans | -14.9 | 87.5 | -176.6 | -68.8 | -125.8 | -43.7 | 0 | 0 | 114 | G11 S15 | G11-Q13 PolarHBondContact O-N 2.75Å; G11-Q13 VanDerWaalsContact O-N 3.15Å; Q13-S15 PolarHBondContact O-N 3.4Å | ||
| 14 | V | 58.5 | Low | 76.3 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 33% | 0.333 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 13.3 | -159.2 | -170 | 0 | 0 | 0 | 0 | 112.1 | Q8 A12 F47 | Q8-V14 HydrophobicContact CG-CG1 3.79Å; A12-V14 VanDerWaalsContact O-CA 3.29Å; A12-V14 WeakPolarHBondContact O-CA 3.33Å; A12-V14 WeakPolarHBondContact O-CG2 3.23Å; A12-V14 PolarHBondContact O-N 3.07Å; V14-F47 HydrophobicContact CG1-CB 4.21Å; V14-F47 HydrophobicContact CG1-CD1 4.14Å; V14-F47 HydrophobicContact CG1-CG 4.15Å |
| 15 | S | 56.6 | Low | 75.9 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 63% | 0.629 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -1.3 | -162.9 | 65.4 | 0 | 0 | 0 | 0 | 115.9 | Q13 | Q13-S15 PolarHBondContact O-N 3.4Š|
| 16 | V | 67.9 | Low | 75.2 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 54% | 0.539 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -141.8 | 137.7 | -175.3 | -160.3 | 0 | 0 | 0 | 0 | 111 | ||
| 17 | R | 76.5 | Confident | 74.2 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 27% | 0.268 | 36% | 0.364 | S | S | . | . | trans | -62.9 | 136.2 | 163.8 | -62.9 | 179.9 | 169.3 | 146 | 7.4 | 110.4 | Y44 C45 D46 E48 T49 | R17-Y44 HydrophobicContact CB-CE1 4.02Å; R17-Y44 WeakPolarHBondContact CB-OH 3.27Å; R17-C45 WeakPolarHBondContact CA-O 3.41Å; R17-D46 IonicContact CZ-OD1 3.4Å; R17-D46 IonicContact CZ-OD2 2.89Å; R17-D46 VanDerWaalsContact NE-CG 3.33Å; R17-D46 IonicContact NE-OD1 3.25Å; R17-D46 PolarHBondContact NE-OD1 2.79Å; R17-D46 IonicContact NE-OD2 3.73Å; R17-D46 PolarHBondContact NE-OD2 3.46Å; R17-D46 IonicContact NH2-OD1 3.07Å; R17-D46 IonicContact NH2-OD2 2.79Å; R17-E48 HydrophobicContact CG-CB 4.4Å; R17-E48 HydrophobicContact CG-CG 4.06Å; R17-E48 IonicContact CZ-OE2 3.49Å; R17-E48 IonicContact NE-OE2 3.14Å; R17-E48 PolarHBondContact NE-OE2 2.75Å; R17-E48 IonicContact NH1-OE2 3.55Å; R17-E48 IonicContact NH2-OE2 2.83Å; R17-T49 PolarHBondContact NH2-OG1 2.83Å | ||
| 18 | G | 79 | Confident | 73.1 | Confident | 17 Ų | 17 | 74 Ų | 74 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | -176.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H20 Y44 C45 | G18-H20 PolarHBondContact O-CD2 2.84Å; G18-H20 VanDerWaalsContact O-CD2 3.26Å; G18-Y44 CarbonylContact O-C 3.51Å; G18-Y44 WeakPolarHBondContact O-CA 3.42Å; G18-C45 PolarHBondContact N-O 2.89Å; G18-C45 PolarHBondContact O-N 2.99Å |
| 19 | F | 81.3 | Confident | 72 | Confident | 67 Ų | 67 | 80.4 Ų | 80.4 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.8 | 174.7 | -72.6 | -87.5 | 0 | 0 | 0 | 111.2 | H42 V43 Y44 D100 F103 | F19-H42 HydrophobicContact CD1-CB 4.21Å; F19-V43 CarbonylContact C-O 3.57Å; F19-V43 WeakPolarHBondContact CA-O 3.33Å; F19-Y44 AromaticContact CD2-CD2 3.8Å; F19-Y44 HydrophobicContact CD2-CD2 3.8Å; F19-Y44 HydrophobicContact CD2-CE2 4.44Å; F19-Y44 HydrophobicContact CE1-CD2 4.36Å; F19-Y44 AromaticContact CE2-CD2 3.52Å; F19-Y44 HydrophobicContact CE2-CD2 3.52Å; F19-Y44 HydrophobicContact CE2-CE2 4.19Å; F19-Y44 HydrophobicContact CG-CD2 4.3Å; F19-Y44 AromaticContact CZ-CD2 3.85Å; F19-Y44 HydrophobicContact CZ-CD2 3.85Å; F19-D100 WeakPolarHBondContact CD2-OD1 3.44Å; F19-D100 HydrophobicContact CE2-CB 3.74Å; F19-D100 WeakPolarHBondContact CE2-OD1 3.44Å; F19-D100 HydrophobicContact CZ-CB 4.49Å; F19-F103 HydrophobicContact CZ-CD1 4.37Å; F19-F103 HydrophobicContact CZ-CE1 4.28Å |
| 20 | H | 81.5 | Confident | 70.6 | Confident | 46 Ų | 46 | 77.1 Ų | 77.1 | 21% | 0.213 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149.7 | 174.8 | -63.9 | -95.2 | 0 | 0 | 0 | 110.3 | L7 G18 H42 V43 F47 | L7-H20 HydrophobicContact CD1-CB 3.48Å; L7-H20 VanDerWaalsContact CD1-CB 3.48Å; G18-H20 PolarHBondContact O-CD2 2.84Å; G18-H20 VanDerWaalsContact O-CD2 3.26Å; H20-H42 CarbonylContact O-C 3.41Å; H20-H42 WeakPolarHBondContact O-CA 3.37Å; H20-V43 PolarHBondContact N-O 3.18Å; H20-V43 PolarHBondContact O-N 2.8Å; H20-F47 AromaticContact CD2-CE2 3.94Å; H20-F47 AromaticContact CE1-CE2 3.99Å; H20-F47 AromaticContact NE2-CE2 3.52Å |
| 21 | R | 84.4 | Confident | 69.1 | Low | 161 Ų | 161 | 77.8 Ų | 77.8 | 61% | 0.608 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 127.9 | 175.8 | -172.7 | 175.8 | 177.3 | 173.5 | -0.3 | 110 | S40 R41 | R21-S40 PolarHBondContact NE-OG 3.18Å; R21-S40 PolarHBondContact NH2-OG 3.41Å; R21-R41 WeakPolarHBondContact CA-O 3.33Å |
| 22 | V | 83 | Confident | 67.8 | Low | 1 Ų | 1 | 85.2 Ų | 85.2 | 1% | 0.006 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 152.6 | 174.7 | -66 | 0 | 0 | 0 | 0 | 110.6 | M1 L7 V24 S40 R41 V43 Y109 | M1-V22 WeakPolarHBondContact O-CA 3.07Å; L7-V22 HydrophobicContact CD1-CG1 3.56Å; L7-V22 HydrophobicContact CG-CG1 4.19Å; V22-V24 HydrophobicContact CG2-CG1 4.33Å; V22-S40 CarbonylContact O-C 3.38Å; V22-S40 WeakPolarHBondContact O-CA 3.25Å; V22-S40 WeakPolarHBondContact O-CB 3.28Å; V22-R41 HydrophobicContact CG2-CB 4.41Å; V22-R41 WeakPolarHBondContact CG2-O 3.36Å; V22-R41 PolarHBondContact N-O 3.5Å; V22-R41 PolarHBondContact O-N 2.97Å; V22-V43 HydrophobicContact CB-CG2 4.37Å; V22-V43 HydrophobicContact CG1-CG2 3.59Å; V22-V43 HydrophobicContact CG2-CB 4.41Å; V22-V43 HydrophobicContact CG2-CG1 3.64Å; V22-V43 HydrophobicContact CG2-CG2 3.83Å; V22-Y109 HydrophobicContact CG2-CE2 4.26Å; V22-Y109 WeakPolarHBondContact CG2-OH 3.36Å |
| 23 | D | 84.3 | Confident | 67.5 | Low | 72 Ų | 72 | 92.2 Ų | 92.2 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 132 | 176.4 | -55.8 | -47.2 | 0 | 0 | 0 | 109.9 | M1 | M1-D23 PolarHBondContact N-OD2 2.97Å; M1-D23 PolarHBondContact O-N 3.49Å |
| 24 | V | 79.9 | Confident | 67.1 | Low | 30 Ų | 30 | 86.5 Ų | 86.5 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 158 | -179.9 | -52.9 | 0 | 0 | 0 | 0 | 110.4 | V22 C39 R41 Y109 | V22-V24 HydrophobicContact CG2-CG1 4.33Å; V24-C39 HydrophobicContact CG2-CB 3.58Å; V24-C39 PolarHBondContact N-O 2.95Å; V24-R41 HydrophobicContact CG1-CB 3.69Å; V24-Y109 HydrophobicContact CB-CD2 4.36Å; V24-Y109 HydrophobicContact CG1-CD2 3.54Å; V24-Y109 HydrophobicContact CG1-CE2 3.42Å; V24-Y109 VanDerWaalsContact CG1-CE2 3.42Å |
| 25 | H | 75 | Confident | 66.6 | Low | 130 Ų | 130 | 92.2 Ų | 92.2 | 60% | 0.602 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 132.3 | 172.9 | -167.8 | 63.6 | 0 | 0 | 0 | 109.2 | Q112 | H25-Q112 PolarHBondContact O-NE2 2.86Š|
| 26 | C | 70.1 | Confident | 66.3 | Low | 7 Ų | 7 | 95.1 Ų | 95.1 | 5% | 0.047 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -69 | 134.4 | 174.9 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | C39 | C26-C39 WeakPolarHBondContact CA-SG 3.41Å; C26-C39 HydrophobicContact CB-CB 4.07Å; C26-C39 WeakPolarHBondContact CB-SG 3.27Å; C26-C39 WeakPolarHBondContact SG-CB 3.47Å; C26-C39 PolarHBondContact SG-N 2.89Å; C26-C39 CovalentContact SG-SG 2.03Å; C26-C39 PolarHBondContact SG-SG 2.93Å |
| 27 | P | 61 | Low | 65.7 | Low | 54 Ų | 54 | 96.5 Ų | 96.5 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 139.7 | 164.3 | -20 | 31.9 | 0 | 0 | 0 | 109.8 | E29 T30 | P27-E29 PolarHBondContact O-N 2.78Å; P27-T30 PolarHBondContact O-N 2.76Å; P27-T30 PolarHBondContact O-OG1 2.86Å |
| 28 | E | 59.8 | Low | 64.9 | Low | 159 Ų | 159 | 99.9 Ų | 99.9 | 74% | 0.743 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -55.4 | -25.8 | -175.9 | -68 | -179.5 | 166.5 | 0 | 0 | 113.2 | T30 N31 | E28-T30 VanDerWaalsContact C-N 3.32Å; E28-T30 PolarHBondContact O-N 2.93Å; E28-N31 PolarHBondContact O-N 2.73Å |
| 29 | E | 55.6 | Low | 64.6 | Low | 175 Ų | 175 | 100.6 Ų | 100.6 | 82% | 0.818 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -69.3 | -20.6 | 178.6 | -65.6 | 178.7 | 177.4 | 0 | 0 | 114.3 | P27 | P27-E29 PolarHBondContact O-N 2.78Š|
| 30 | T | 52.3 | Low | 64.6 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -94.1 | -6.9 | 179.4 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | P27 E28 Y32 | P27-T30 PolarHBondContact O-N 2.76Å; P27-T30 PolarHBondContact O-OG1 2.86Å; E28-T30 VanDerWaalsContact C-N 3.32Å; E28-T30 PolarHBondContact O-N 2.93Å; T30-Y32 VanDerWaalsContact C-N 3.3Å; T30-Y32 PolarHBondContact O-N 2.74Å |
| 31 | N | 50.3 | Low | 64.6 | Low | 80 Ų | 80 | 100.3 Ų | 100.3 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -13.8 | -176.8 | -91.9 | -21.2 | 0 | 0 | 0 | 114.4 | E28 | E28-N31 PolarHBondContact O-N 2.73Š|
| 32 | Y | 48.4 | Very low | 64.5 | Low | 213 Ų | 213 | 98.6 Ų | 98.6 | 84% | 0.835 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -16.7 | -174.5 | -73.4 | -80 | 0 | 0 | 0 | 115 | T30 | T30-Y32 VanDerWaalsContact C-N 3.3Å; T30-Y32 PolarHBondContact O-N 2.74Å |
| 33 | L | 54.7 | Low | 64.3 | Low | 178 Ų | 178 | 98.6 Ų | 98.6 | 93% | 0.932 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -8.1 | -171.2 | -74.5 | 165.1 | 0 | 0 | 0 | 114.6 | ||
| 34 | S | 48.8 | Very low | 64.3 | Low | 52 Ų | 52 | 97.2 Ų | 97.2 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | trans | -140.6 | 123.3 | 173.2 | 77.6 | 0 | 0 | 0 | 0 | 109.4 | K36 | S34-K36 PolarHBondContact O-N 3.42Š| ||
| 35 | N | 49.4 | Very low | 64.3 | Low | 176 Ų | 176 | 95.8 Ų | 95.8 | 94% | 0.941 | 48% | 0.478 | S | S | * | . | trans | -62.5 | 26.7 | 164.3 | -88.3 | -15.7 | 0 | 0 | 0 | 112.4 | V37 | N35-V37 PolarHBondContact O-N 3.19Š| ||
| 36 | K | 49.8 | Very low | 64.4 | Low | 151 Ų | 151 | 89.6 Ų | 89.6 | 66% | 0.657 | 45% | 0.449 | S | S | * | . | trans | -93.2 | 97.9 | 172.4 | -73.2 | -176.3 | 175.3 | 177.1 | 0 | 108.1 | S34 H38 | S34-K36 PolarHBondContact O-N 3.42Å; K36-H38 PolarHBondContact O-N 3.2Å | ||
| 37 | V | 53.9 | Low | 64.6 | Low | 118 Ų | 118 | 90.1 Ų | 90.1 | 72% | 0.715 | 45% | 0.451 | S | S | * | . | trans | -65.2 | 0.3 | 171.1 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | N35 | N35-V37 PolarHBondContact O-N 3.19Š| ||
| 38 | H | 60.5 | Low | 65.1 | Low | 142 Ų | 142 | 91.3 Ų | 91.3 | 66% | 0.657 | 45% | 0.452 | S | S | * | . | trans | -124.2 | 101.1 | -172 | -59.8 | -64.1 | 0 | 0 | 0 | 111.2 | K36 | K36-H38 PolarHBondContact O-N 3.2Š| ||
| 39 | C | 72 | Confident | 65.3 | Low | 32 Ų | 32 | 83.8 Ų | 83.8 | 22% | 0.216 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 149.8 | 161.3 | -70.8 | 0 | 0 | 0 | 0 | 109.2 | V24 C26 | V24-C39 HydrophobicContact CG2-CB 3.58Å; V24-C39 PolarHBondContact N-O 2.95Å; C26-C39 WeakPolarHBondContact CA-SG 3.41Å; C26-C39 HydrophobicContact CB-CB 4.07Å; C26-C39 WeakPolarHBondContact CB-SG 3.27Å; C26-C39 WeakPolarHBondContact SG-CB 3.47Å; C26-C39 PolarHBondContact SG-N 2.89Å; C26-C39 CovalentContact SG-SG 2.03Å; C26-C39 PolarHBondContact SG-SG 2.93Å |
| 40 | S | 81.9 | Confident | 65.6 | Low | 47 Ų | 47 | 75.7 Ų | 75.7 | 33% | 0.329 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 152.6 | 178.2 | 61 | 0 | 0 | 0 | 0 | 111.7 | R21 V22 | R21-S40 PolarHBondContact NE-OG 3.18Å; R21-S40 PolarHBondContact NH2-OG 3.41Å; V22-S40 CarbonylContact O-C 3.38Å; V22-S40 WeakPolarHBondContact O-CA 3.25Å; V22-S40 WeakPolarHBondContact O-CB 3.28Å |
| 41 | R | 81 | Confident | 65.5 | Low | 59 Ų | 59 | 75 Ų | 75 | 22% | 0.223 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 150 | -179.7 | -168 | 175.8 | -175.5 | 107.3 | 20.4 | 110.6 | R21 V22 V24 M95 I105 | R21-R41 WeakPolarHBondContact CA-O 3.33Å; V22-R41 HydrophobicContact CG2-CB 4.41Å; V22-R41 WeakPolarHBondContact CG2-O 3.36Å; V22-R41 PolarHBondContact N-O 3.5Å; V22-R41 PolarHBondContact O-N 2.97Å; V24-R41 HydrophobicContact CG1-CB 3.69Å; R41-M95 PolarHBondContact NH1-O 3.01Å; R41-M95 PolarHBondContact NH2-O 2.93Å; R41-I105 PolarHBondContact NE-O 3.17Å; R41-I105 PolarHBondContact NH1-O 3.22Å; R41-I105 PolarHBondContact NH2-O 2.79Å |
| 42 | H | 82.4 | Confident | 65.2 | Low | 126 Ų | 126 | 73 Ų | 73 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.9 | 167.7 | -69.5 | 97.7 | 0 | 0 | 0 | 109.8 | F19 H20 | F19-H42 HydrophobicContact CD1-CB 4.21Å; H20-H42 CarbonylContact O-C 3.41Å; H20-H42 WeakPolarHBondContact O-CA 3.37Å |
| 43 | V | 80.3 | Confident | 64.4 | Low | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.7 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | F19 H20 V22 Q74 I105 Y109 | F19-V43 CarbonylContact C-O 3.57Å; F19-V43 WeakPolarHBondContact CA-O 3.33Å; H20-V43 PolarHBondContact N-O 3.18Å; H20-V43 PolarHBondContact O-N 2.8Å; V22-V43 HydrophobicContact CB-CG2 4.37Å; V22-V43 HydrophobicContact CG1-CG2 3.59Å; V22-V43 HydrophobicContact CG2-CB 4.41Å; V22-V43 HydrophobicContact CG2-CG1 3.64Å; V22-V43 HydrophobicContact CG2-CG2 3.83Å; V43-Q74 HydrophobicContact CB-CG 4.24Å; V43-Q74 HydrophobicContact CG2-CG 4.49Å; V43-I105 HydrophobicContact CB-CD1 4.35Å; V43-I105 HydrophobicContact CG1-CD1 3.94Å; V43-I105 HydrophobicContact CG1-CG1 4.49Å; V43-Y109 HydrophobicContact CG1-CD1 4.4Å; V43-Y109 HydrophobicContact CG1-CE1 3.49Å; V43-Y109 VanDerWaalsContact CG1-CE1 3.49Å |
| 44 | Y | 83 | Confident | 63.6 | Low | 43 Ų | 43 | 63 Ų | 63 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121 | 177.2 | -166.3 | -81 | 0 | 0 | 0 | 110.1 | R17 G18 F19 V75 | R17-Y44 HydrophobicContact CB-CE1 4.02Å; R17-Y44 WeakPolarHBondContact CB-OH 3.27Å; G18-Y44 CarbonylContact O-C 3.51Å; G18-Y44 WeakPolarHBondContact O-CA 3.42Å; F19-Y44 AromaticContact CD2-CD2 3.8Å; F19-Y44 HydrophobicContact CD2-CD2 3.8Å; F19-Y44 HydrophobicContact CD2-CE2 4.44Å; F19-Y44 HydrophobicContact CE1-CD2 4.36Å; F19-Y44 AromaticContact CE2-CD2 3.52Å; F19-Y44 HydrophobicContact CE2-CD2 3.52Å; F19-Y44 HydrophobicContact CE2-CE2 4.19Å; F19-Y44 HydrophobicContact CG-CD2 4.3Å; F19-Y44 AromaticContact CZ-CD2 3.85Å; F19-Y44 HydrophobicContact CZ-CD2 3.85Å; Y44-V75 HydrophobicContact CD1-CB 4.2Å; Y44-V75 HydrophobicContact CD1-CG2 3.67Å; Y44-V75 HydrophobicContact CE1-CG2 4.37Å; Y44-V75 PolarHBondContact O-N 2.53Å |
| 45 | C | 81 | Confident | 62.6 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.6 | 179.4 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | C4 R17 G18 F47 | C4-C45 VanDerWaalsContact CA-SG 3.58Å; C4-C45 HydrophobicContact CB-CB 3.61Å; C4-C45 WeakPolarHBondContact CB-SG 3.34Å; C4-C45 WeakPolarHBondContact SG-CA 3.32Å; C4-C45 WeakPolarHBondContact SG-CB 3.5Å; C4-C45 CovalentContact SG-SG 2.03Å; C4-C45 PolarHBondContact SG-SG 3.08Å; R17-C45 WeakPolarHBondContact CA-O 3.41Å; G18-C45 PolarHBondContact N-O 2.89Å; G18-C45 PolarHBondContact O-N 2.99Å; C45-F47 HydrophobicContact CB-CD2 4.15Å; C45-F47 HydrophobicContact CB-CE1 4.02Å; C45-F47 HydrophobicContact CB-CE2 3.49Å; C45-F47 VanDerWaalsContact CB-CE2 3.49Å; C45-F47 HydrophobicContact CB-CZ 3.4Å; C45-F47 VanDerWaalsContact CB-CZ 3.4Å |
| 46 | D | 75.8 | Confident | 62 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 100.7 | 170.4 | -172.2 | -7.6 | 0 | 0 | 0 | 108.9 | R17 E48 T49 L73 R247 | R17-D46 IonicContact CZ-OD1 3.4Å; R17-D46 IonicContact CZ-OD2 2.89Å; R17-D46 VanDerWaalsContact NE-CG 3.33Å; R17-D46 IonicContact NE-OD1 3.25Å; R17-D46 PolarHBondContact NE-OD1 2.79Å; R17-D46 IonicContact NE-OD2 3.73Å; R17-D46 PolarHBondContact NE-OD2 3.46Å; R17-D46 IonicContact NH2-OD1 3.07Å; R17-D46 IonicContact NH2-OD2 2.79Å; D46-E48 PolarHBondContact OD1-N 3.35Å; D46-E48 VanDerWaalsContact OD1-N 3.09Å; D46-T49 VanDerWaalsContact CG-OG1 3.26Å; D46-T49 PolarHBondContact OD1-N 2.98Å; D46-T49 PolarHBondContact OD1-OG1 3.21Å; D46-T49 VanDerWaalsContact OD2-CB 3.26Å; D46-T49 WeakPolarHBondContact OD2-CB 3.37Å; D46-T49 PolarHBondContact OD2-OG1 3.06Å; D46-L73 HydrophobicContact CB-CB 4.27Å; D46-L73 PolarHBondContact N-O 3.3Å; D46-L73 PolarHBondContact O-N 3.17Å; D46-R247 IonicContact OD2-CZ 3.52Å; D46-R247 IonicContact OD2-NH1 3.64Å; D46-R247 PolarHBondContact OD2-NH1 3.43Å; D46-R247 IonicContact OD2-NH2 3.71Å |
| 47 | F | 75.3 | Confident | 61 | Low | 18 Ų | 18 | 57.7 Ų | 57.7 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -91.3 | -6.4 | 177.2 | -59.1 | -63.9 | 0 | 0 | 0 | 113.1 | C4 Q8 V14 H20 C45 T72 | C4-F47 HydrophobicContact CB-CE1 4.5Å; Q8-F47 HydrophobicContact CB-CD1 4.26Å; Q8-F47 HydrophobicContact CB-CE1 3.92Å; Q8-F47 HydrophobicContact CG-CD1 4.42Å; V14-F47 HydrophobicContact CG1-CB 4.21Å; V14-F47 HydrophobicContact CG1-CD1 4.14Å; V14-F47 HydrophobicContact CG1-CG 4.15Å; H20-F47 AromaticContact CD2-CE2 3.94Å; H20-F47 AromaticContact CE1-CE2 3.99Å; H20-F47 AromaticContact NE2-CE2 3.52Å; C45-F47 HydrophobicContact CB-CD2 4.15Å; C45-F47 HydrophobicContact CB-CE1 4.02Å; C45-F47 HydrophobicContact CB-CE2 3.49Å; C45-F47 VanDerWaalsContact CB-CE2 3.49Å; C45-F47 HydrophobicContact CB-CZ 3.4Å; C45-F47 VanDerWaalsContact CB-CZ 3.4Å; F47-T72 HydrophobicContact CD1-CG2 3.5Å; F47-T72 WeakPolarHBondContact CD1-OG1 2.84Å; F47-T72 HydrophobicContact CE1-CG2 3.39Å; F47-T72 WeakPolarHBondContact CE1-OG1 3.01Å; F47-T72 HydrophobicContact CZ-CG2 4.43Å |
| 48 | E | 71.3 | Confident | 59.9 | Low | 78 Ų | 78 | 58.8 Ų | 58.8 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -97.3 | -40.5 | -174.4 | -66.8 | 175.1 | -172.6 | 0 | 0 | 111.9 | R17 D46 D50 G51 G52 | R17-E48 HydrophobicContact CG-CB 4.4Å; R17-E48 HydrophobicContact CG-CG 4.06Å; R17-E48 IonicContact CZ-OE2 3.49Å; R17-E48 IonicContact NE-OE2 3.14Å; R17-E48 PolarHBondContact NE-OE2 2.75Å; R17-E48 IonicContact NH1-OE2 3.55Å; R17-E48 IonicContact NH2-OE2 2.83Å; D46-E48 PolarHBondContact OD1-N 3.35Å; D46-E48 VanDerWaalsContact OD1-N 3.09Å; E48-D50 PolarHBondContact O-N 3.21Å; E48-G51 PolarHBondContact O-N 3.32Å; E48-G52 PolarHBondContact O-N 2.84Å |
| 49 | T | 64.5 | Low | 58.8 | Low | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 133.7 | 177.3 | -67.7 | 0 | 0 | 0 | 0 | 109.8 | R17 D46 G51 V65 L73 R247 | R17-T49 PolarHBondContact NH2-OG1 2.83Å; D46-T49 VanDerWaalsContact CG-OG1 3.26Å; D46-T49 PolarHBondContact OD1-N 2.98Å; D46-T49 PolarHBondContact OD1-OG1 3.21Å; D46-T49 VanDerWaalsContact OD2-CB 3.26Å; D46-T49 WeakPolarHBondContact OD2-CB 3.37Å; D46-T49 PolarHBondContact OD2-OG1 3.06Å; T49-G51 VanDerWaalsContact C-N 3.25Å; T49-G51 PolarHBondContact O-N 3.09Å; T49-V65 HydrophobicContact CG2-CG1 3.24Å; T49-L73 HydrophobicContact CG2-CD1 3.4Å; T49-L73 VanDerWaalsContact CG2-CD1 3.4Å; T49-R247 PolarHBondContact OG1-NH2 2.83Å; T49-R247 VanDerWaalsContact OG1-NH2 3.09Å |
| 50 | D | 60.4 | Low | 57.2 | Low | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 9.7 | 175.2 | -129.1 | 5.6 | 0 | 0 | 0 | 114.8 | E48 A68 R69 T70 R251 | E48-D50 PolarHBondContact O-N 3.21Å; D50-A68 WeakPolarHBondContact OD1-CA 3.3Å; D50-R69 WeakPolarHBondContact CB-O 3.46Å; D50-R69 VanDerWaalsContact CG-C 3.46Å; D50-R69 CarbonylContact O-C 3.45Å; D50-R69 PolarHBondContact O-N 2.87Å; D50-R69 WeakPolarHBondContact OD1-CA 3.47Å; D50-R69 PolarHBondContact OD1-N 2.66Å; D50-R69 WeakPolarHBondContact OD2-CB 3.21Å; D50-T70 WeakPolarHBondContact O-CA 3.43Å; D50-T70 PolarHBondContact O-N 3.46Å; D50-R251 IonicContact OD2-CZ 3.85Å; D50-R251 IonicContact OD2-NH1 3.35Å; D50-R251 PolarHBondContact OD2-NH1 2.92Å; D50-R251 IonicContact OD2-NH2 2.83Å; D50-R251 PolarHBondContact OD2-NH2 2.76Å |
| 51 | G | 51.8 | Low | 55.4 | Low | 55 Ų | 55 | 74.8 Ų | 74.8 | 57% | 0.567 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.4 | 13.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E48 T49 | E48-G51 PolarHBondContact O-N 3.32Å; T49-G51 VanDerWaalsContact C-N 3.25Å; T49-G51 PolarHBondContact O-N 3.09Å |
| 52 | G | 43.5 | Very low | 53.6 | Low | 38 Ų | 38 | 78.9 Ų | 78.9 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -138.9 | 158 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | E48 W54 | E48-G52 PolarHBondContact O-N 2.84Å; G52-W54 PolarHBondContact O-NE1 2.75Å |
| 53 | G | 31.7 | Very low | 51.9 | Low | 88 Ų | 88 | 75.2 Ų | 75.2 | 91% | 0.907 | 42% | 0.415 | S | S | * | . | trans | -101.7 | 97.9 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 54 | W | 38.1 | Very low | 50.3 | Low | 94 Ų | 94 | 79.5 Ų | 79.5 | 36% | 0.356 | 44% | 0.437 | S | S | . | . | trans | -66.7 | 139.9 | -170.7 | -48.6 | 89.9 | 0 | 0 | 0 | 116.5 | G52 V65 | G52-W54 PolarHBondContact O-NE1 2.75Å; W54-V65 HydrophobicContact CE3-CB 4.38Å; W54-V65 HydrophobicContact CH2-CB 3.28Å; W54-V65 HydrophobicContact CH2-CG1 3.61Å; W54-V65 HydrophobicContact CH2-CG2 3.61Å; W54-V65 HydrophobicContact CZ2-CB 3.57Å; W54-V65 HydrophobicContact CZ2-CG1 3.57Å; W54-V65 HydrophobicContact CZ2-CG2 4.39Å; W54-V65 HydrophobicContact CZ3-CB 3.72Å; W54-V65 HydrophobicContact CZ3-CG2 3.85Å | ||
| 55 | T | 27.2 | Very low | 48.6 | Very low | 145 Ų | 145 | 77.8 Ų | 77.8 | 89% | 0.89 | 43% | 0.431 | S | S | * | . | trans | -149.9 | 126.1 | 142.4 | -60.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 56 | V | 36.2 | Very low | 46.6 | Very low | 68 Ų | 68 | 82.4 Ų | 82.4 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | trans | -101.9 | 115.2 | -174.6 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | K62 | V56-K62 HydrophobicContact CG1-CB 4.08Å; V56-K62 HydrophobicContact CG1-CD 4.14Å | ||
| 57 | G | 29.5 | Very low | 44.7 | Very low | 53 Ų | 53 | 84.6 Ų | 84.6 | 55% | 0.546 | 48% | 0.477 | S | S | . | . | trans | -93.3 | 126.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 58 | N | 31 | Very low | 42.7 | Very low | 141 Ų | 141 | 87.9 Ų | 87.9 | 75% | 0.754 | 51% | 0.508 | S | S | * | . | S | Bend | trans | 18.5 | 136.2 | 165.8 | -83 | 9.5 | 0 | 0 | 0 | 123.6 | ||
| 59 | E | 36.2 | Very low | 41.5 | Very low | 159 Ų | 159 | 90.8 Ų | 90.8 | 74% | 0.743 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 86.1 | 86.8 | 145.4 | -68.3 | 174.2 | -134.1 | 0 | 0 | 118.4 | ||
| 60 | K | 39.4 | Very low | 40.6 | Very low | 196 Ų | 196 | 94.4 Ų | 94.4 | 85% | 0.852 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 103.4 | -26.3 | 140.5 | -64.9 | -173.4 | 178.1 | 178.9 | 0 | 119.8 | ||
| 61 | R | 44 | Very low | 40.3 | Very low | 202 Ų | 202 | 94.5 Ų | 94.5 | 76% | 0.762 | 54% | 0.54 | S | S | * | . | trans | -157.7 | 85.9 | 173.3 | -63.5 | -173.4 | -177.1 | 168.6 | -0 | 112.3 | ||||
| 62 | K | 42.6 | Very low | 41 | Very low | 145 Ų | 145 | 92 Ų | 92 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | trans | -140.6 | 127.2 | 171.7 | -92.1 | -178.9 | -179.6 | 169.7 | 0 | 111.7 | V56 I64 I130 | V56-K62 HydrophobicContact CG1-CB 4.08Å; V56-K62 HydrophobicContact CG1-CD 4.14Å; K62-I64 PolarHBondContact O-N 3.21Å; K62-I130 VanDerWaalsContact C-CD1 3.49Å | ||
| 63 | L | 47.7 | Very low | 42.6 | Very low | 49 Ų | 49 | 90.2 Ų | 90.2 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | trans | -61.4 | 106.5 | 172.3 | -96.5 | 95.5 | 0 | 0 | 0 | 107.8 | V65 E128 I130 A245 R247 | L63-V65 HydrophobicContact CB-CG2 4.43Å; L63-E128 HydrophobicContact CD2-CB 3.88Å; L63-I130 HydrophobicContact CB-CD1 4.26Å; L63-I130 HydrophobicContact CD1-CD1 3.8Å; L63-I130 HydrophobicContact CD1-CG1 4.07Å; L63-I130 HydrophobicContact CG-CD1 3.85Å; L63-I130 HydrophobicContact CG-CG1 3.87Å; L63-A245 HydrophobicContact CD1-CB 4.04Å; L63-R247 HydrophobicContact CD2-CG 3.9Å | ||
| 64 | I | 45.4 | Very low | 45.1 | Very low | 91 Ų | 91 | 86.2 Ų | 86.2 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | trans | -64.6 | 136.1 | 155.8 | -62.8 | 170 | 0 | 0 | 0 | 105.2 | K62 I66 L136 | K62-I64 PolarHBondContact O-N 3.21Å; I64-I66 HydrophobicContact CG2-CG1 4.37Å; I64-L136 HydrophobicContact CB-CD2 4.01Å; I64-L136 HydrophobicContact CG2-CD2 4.04Å; I64-L136 WeakPolarHBondContact O-CD1 3.49Å; I64-L136 WeakPolarHBondContact O-CD2 3.02Å | ||
| 65 | V | 47.2 | Very low | 47.5 | Very low | 8 Ų | 8 | 81.7 Ų | 81.7 | 5% | 0.048 | 44% | 0.436 | C | S | . | . | trans | -122 | 113.2 | 179.1 | 176.1 | 0 | 0 | 0 | 0 | 106.2 | T49 W54 L63 | T49-V65 HydrophobicContact CG2-CG1 3.24Å; W54-V65 HydrophobicContact CE3-CB 4.38Å; W54-V65 HydrophobicContact CH2-CB 3.28Å; W54-V65 HydrophobicContact CH2-CG1 3.61Å; W54-V65 HydrophobicContact CH2-CG2 3.61Å; W54-V65 HydrophobicContact CZ2-CB 3.57Å; W54-V65 HydrophobicContact CZ2-CG1 3.57Å; W54-V65 HydrophobicContact CZ2-CG2 4.39Å; W54-V65 HydrophobicContact CZ3-CB 3.72Å; W54-V65 HydrophobicContact CZ3-CG2 3.85Å; L63-V65 HydrophobicContact CB-CG2 4.43Å | ||
| 66 | I | 39.1 | Very low | 50.6 | Low | 97 Ų | 97 | 74.8 Ų | 74.8 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | trans | -86.4 | 118.8 | -173.7 | -61.2 | 168.6 | 0 | 0 | 0 | 110.3 | I64 R126 L136 | I64-I66 HydrophobicContact CG2-CG1 4.37Å; I66-R126 PolarHBondContact O-NH2 2.67Å; I66-R126 VanDerWaalsContact O-NH2 3.16Å; I66-L136 HydrophobicContact CD1-CD2 3.54Å; I66-L136 HydrophobicContact CG1-CD2 3.53Å | ||
| 67 | G | 37.1 | Very low | 53.5 | Low | 45 Ų | 45 | 71.6 Ų | 71.6 | 46% | 0.464 | 37% | 0.374 | S | S | . | . | trans | 85.7 | 128.6 | 138.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 68 | A | 33.7 | Very low | 56.5 | Low | 88 Ų | 88 | 70.3 Ų | 70.3 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | trans | -75.2 | 131.4 | -170 | 0 | 0 | 0 | 0 | 0 | 118 | D50 | D50-A68 WeakPolarHBondContact OD1-CA 3.3Š| ||
| 69 | R | 45.6 | Very low | 59.5 | Low | 138 Ų | 138 | 63.7 Ų | 63.7 | 52% | 0.521 | 32% | 0.318 | S | S | . | . | trans | -156 | 101.9 | 164.3 | -58.3 | -178.6 | 174.4 | -149.1 | -3.4 | 104.3 | D50 G71 R161 R251 | D50-R69 WeakPolarHBondContact CB-O 3.46Å; D50-R69 VanDerWaalsContact CG-C 3.46Å; D50-R69 CarbonylContact O-C 3.45Å; D50-R69 PolarHBondContact O-N 2.87Å; D50-R69 WeakPolarHBondContact OD1-CA 3.47Å; D50-R69 PolarHBondContact OD1-N 2.66Å; D50-R69 WeakPolarHBondContact OD2-CB 3.21Å; R69-G71 PolarHBondContact O-N 3.02Å; R69-G71 VanDerWaalsContact O-N 3.09Å; R69-R161 VanDerWaalsContact NH1-NH2 3.12Å; R69-R251 PolarHBondContact O-NH1 2.66Å | ||
| 70 | T | 45.7 | Very low | 61.9 | Low | 78 Ų | 78 | 62.7 Ų | 62.7 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | trans | -35.8 | 121 | 175.7 | 41.3 | 0 | 0 | 0 | 0 | 110.6 | D50 Y255 | D50-T70 WeakPolarHBondContact O-CA 3.43Å; D50-T70 PolarHBondContact O-N 3.46Å; T70-Y255 WeakPolarHBondContact O-CD1 3.14Å; T70-Y255 WeakPolarHBondContact O-CE1 3.45Å | ||
| 71 | G | 53.4 | Low | 64.1 | Low | 6 Ų | 6 | 57.5 Ų | 57.5 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | trans | 174.9 | 121.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | R69 L73 Y255 | R69-G71 PolarHBondContact O-N 3.02Å; R69-G71 VanDerWaalsContact O-N 3.09Å; G71-L73 PolarHBondContact O-N 2.84Å; G71-Y255 VanDerWaalsContact CA-CE1 3.44Å | ||
| 72 | T | 67.3 | Low | 66.1 | Low | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 127.6 | 170 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | C4 Q8 F47 R251 | C4-T72 HydrophobicContact CB-CG2 3.21Å; Q8-T72 WeakPolarHBondContact CB-OG1 3.27Å; Q8-T72 PolarHBondContact NE2-OG1 3.02Å; Q8-T72 PolarHBondContact OE1-OG1 3.24Å; F47-T72 HydrophobicContact CD1-CG2 3.5Å; F47-T72 WeakPolarHBondContact CD1-OG1 2.84Å; F47-T72 HydrophobicContact CE1-CG2 3.39Å; F47-T72 WeakPolarHBondContact CE1-OG1 3.01Å; F47-T72 HydrophobicContact CZ-CG2 4.43Å; T72-R251 WeakPolarHBondContact O-CB 3.39Å |
| 73 | L | 76.3 | Confident | 68.2 | Low | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.5 | 172.5 | -68.7 | 168 | 0 | 0 | 0 | 110 | D46 T49 G71 M249 R251 | D46-L73 HydrophobicContact CB-CB 4.27Å; D46-L73 PolarHBondContact N-O 3.3Å; D46-L73 PolarHBondContact O-N 3.17Å; T49-L73 HydrophobicContact CG2-CD1 3.4Å; T49-L73 VanDerWaalsContact CG2-CD1 3.4Å; G71-L73 PolarHBondContact O-N 2.84Å; L73-M249 HydrophobicContact CB-CB 4.16Å; L73-M249 HydrophobicContact CB-CG 4.46Å; L73-M249 HydrophobicContact CB-SD 4.08Å; L73-M249 HydrophobicContact CD1-CE 4.01Å; L73-M249 HydrophobicContact CD1-SD 3.75Å; L73-M249 HydrophobicContact CD2-CB 4.13Å; L73-M249 HydrophobicContact CG-SD 4.45Å; L73-R251 HydrophobicContact CD2-CB 4.02Å; L73-R251 HydrophobicContact CD2-CG 3.97Å |
| 74 | Q | 83.7 | Confident | 70.3 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.3 | 167.2 | -175.6 | 177.3 | -75.6 | 0 | 0 | 108.7 | D3 C4 V43 I76 I105 Y109 I113 M249 V250 | D3-Q74 VanDerWaalsContact CB-OE1 3.27Å; C4-Q74 HydrophobicContact CB-CB 4.14Å; V43-Q74 HydrophobicContact CB-CG 4.24Å; V43-Q74 HydrophobicContact CG2-CG 4.49Å; Q74-I76 PolarHBondContact O-N 2.92Å; Q74-I105 HydrophobicContact CG-CD1 4.33Å; Q74-Y109 PolarHBondContact NE2-OH 3.41Å; Q74-Y109 PolarHBondContact OE1-OH 3.47Å; Q74-Y109 VanDerWaalsContact OE1-OH 3.08Å; Q74-I113 VanDerWaalsContact NE2-CD1 3.27Å; Q74-M249 CarbonylContact O-C 3.54Å; Q74-M249 VanDerWaalsContact O-CA 3.24Å; Q74-M249 WeakPolarHBondContact O-CA 3.41Å; Q74-V250 HydrophobicContact CB-CG2 4.14Å; Q74-V250 PolarHBondContact N-O 3.28Å; Q74-V250 PolarHBondContact O-N 2.84Å |
| 75 | V | 88.4 | Confident | 72.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 124.5 | 176.6 | -175 | 0 | 0 | 0 | 0 | 108.4 | Y44 Q77 Q78 F103 R247 M249 | Y44-V75 HydrophobicContact CD1-CB 4.2Å; Y44-V75 HydrophobicContact CD1-CG2 3.67Å; Y44-V75 HydrophobicContact CE1-CG2 4.37Å; Y44-V75 PolarHBondContact O-N 2.53Å; V75-Q77 VanDerWaalsContact CG1-O 3.26Å; V75-Q77 WeakPolarHBondContact CG1-O 3.34Å; V75-Q78 HydrophobicContact CG1-CB 4.25Å; V75-F103 HydrophobicContact CB-CZ 3.86Å; V75-F103 HydrophobicContact CG1-CE1 4.22Å; V75-F103 HydrophobicContact CG1-CE2 4.25Å; V75-F103 HydrophobicContact CG1-CZ 3.51Å; V75-F103 WeakPolarHBondContact O-CE2 3.35Å; V75-R247 HydrophobicContact CG1-CB 4.38Å; V75-M249 HydrophobicContact CB-CG 4.33Å; V75-M249 HydrophobicContact CG1-CG 4.49Å; V75-M249 HydrophobicContact CG2-CG 3.9Å; V75-M249 HydrophobicContact CG2-SD 4.25Å |
| 76 | I | 93.5 | Very high | 74.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -17.9 | -177.9 | 60.7 | 162.6 | 0 | 0 | 0 | 113.2 | Q74 I105 L110 I113 L125 F144 M248 V250 | Q74-I76 PolarHBondContact O-N 2.92Å; I76-I105 HydrophobicContact CB-CB 4.25Å; I76-I105 HydrophobicContact CB-CD1 4.43Å; I76-I105 HydrophobicContact CB-CG2 3.68Å; I76-I105 HydrophobicContact CG2-CD1 3.99Å; I76-I105 HydrophobicContact CG2-CG2 3.99Å; I76-I105 VanDerWaalsContact O-CB 3.26Å; I76-I105 WeakPolarHBondContact O-CB 3.24Å; I76-I105 WeakPolarHBondContact O-CG2 3.33Å; I76-I105 PolarHBondContact O-N 2.68Å; I76-L110 HydrophobicContact CB-CD2 3.82Å; I76-L110 HydrophobicContact CD1-CD2 3.72Å; I76-L110 HydrophobicContact CG1-CD2 4.37Å; I76-L110 HydrophobicContact CG2-CD2 3.67Å; I76-I113 HydrophobicContact CG2-CD1 4.48Å; I76-L125 HydrophobicContact CD1-CD1 3.98Å; I76-F144 HydrophobicContact CD1-CZ 4.25Å; I76-M248 HydrophobicContact CD1-CB 4.05Å; I76-M248 HydrophobicContact CD1-CE 4.35Å; I76-M248 HydrophobicContact CG1-CB 3.67Å; I76-M248 VanDerWaalsContact CG1-O 3.26Å; I76-M248 WeakPolarHBondContact CG1-O 3.19Å; I76-M248 PolarHBondContact N-O 3.14Å; I76-V250 HydrophobicContact CD1-CG1 3.93Å; I76-V250 HydrophobicContact CG1-CG1 4.49Å; I76-V250 HydrophobicContact CG2-CG1 4.27Å; I76-V250 HydrophobicContact CG2-CG2 3.8Å |
| 77 | Q | 95.8 | Very high | 77.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 142.5 | 174.3 | -173.8 | -94.1 | 32.4 | 0 | 0 | 108.4 | V75 R79 F86 F103 W104 L212 N213 R247 M248 | V75-Q77 VanDerWaalsContact CG1-O 3.26Å; V75-Q77 WeakPolarHBondContact CG1-O 3.34Å; Q77-R79 VanDerWaalsContact NE2-CG 3.29Å; Q77-F86 HydrophobicContact CG-CE1 4.16Å; Q77-F103 VanDerWaalsContact CA-O 3.29Å; Q77-F103 WeakPolarHBondContact CA-O 3.37Å; Q77-W104 HydrophobicContact CB-CE3 3.62Å; Q77-W104 HydrophobicContact CB-CZ3 3.72Å; Q77-W104 HydrophobicContact CG-CE3 3.5Å; Q77-W104 VanDerWaalsContact CG-CE3 3.5Å; Q77-W104 HydrophobicContact CG-CZ3 3.77Å; Q77-L212 PolarHBondContact NE2-O 2.99Å; Q77-N213 PolarHBondContact NE2-OD1 2.91Å; Q77-N213 VanDerWaalsContact NE2-OD1 3.08Å; Q77-R247 VanDerWaalsContact O-CA 3.29Å; Q77-R247 WeakPolarHBondContact O-CA 3.37Å; Q77-M248 HydrophobicContact CB-CB 3.92Å; Q77-M248 HydrophobicContact CB-CG 3.97Å; Q77-M248 HydrophobicContact CB-SD 3.94Å; Q77-M248 HydrophobicContact CG-SD 4.31Å; Q77-M248 PolarHBondContact N-O 3.07Å; Q77-M248 PolarHBondContact O-N 3.37Å |
| 78 | Q | 93 | Very high | 80 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 134.9 | 171.3 | -168.9 | 169.4 | -59.9 | 0 | 0 | 111.1 | V75 Q101 E102 F103 S246 | V75-Q78 HydrophobicContact CG1-CB 4.25Å; Q78-Q101 WeakPolarHBondContact CG-O 3.37Å; Q78-Q101 PolarHBondContact NE2-O 2.93Å; Q78-E102 VanDerWaalsContact O-CA 3.22Å; Q78-E102 WeakPolarHBondContact O-CA 3.31Å; Q78-F103 HydrophobicContact CB-CD1 3.97Å; Q78-F103 HydrophobicContact CB-CE1 3.7Å; Q78-F103 HydrophobicContact CB-CZ 4.32Å; Q78-F103 PolarHBondContact N-O 3.24Å; Q78-F103 PolarHBondContact O-N 3.36Å; Q78-F103 VanDerWaalsContact O-N 3.14Å; Q78-S246 WeakPolarHBondContact CA-O 3.18Å |
| 79 | R | 93.4 | Very high | 82.9 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.1 | 169.2 | -47.8 | -62.1 | -59.6 | -82.1 | 5 | 108.3 | Q77 F86 L212 A214 N216 I232 A245 S246 | Q77-R79 VanDerWaalsContact NE2-CG 3.29Å; R79-F86 VanDerWaalsContact CD-CE1 3.48Å; R79-F86 VanDerWaalsContact CD-CE2 3.41Å; R79-F86 VanDerWaalsContact NE-CE2 3.3Å; R79-L212 WeakPolarHBondContact CG-O 3.31Å; R79-L212 PolarHBondContact NH1-O 3.18Å; R79-A214 PolarHBondContact NH1-O 3.27Å; R79-A214 PolarHBondContact NH2-O 3.07Å; R79-N216 PolarHBondContact NH2-ND2 3.03Å; R79-N216 VanDerWaalsContact NH2-ND2 3.18Å; R79-I232 HydrophobicContact CB-CD1 3.95Å; R79-I232 HydrophobicContact CG-CD1 3.99Å; R79-I232 VanDerWaalsContact CZ-CD1 3.46Å; R79-I232 VanDerWaalsContact NH1-CD1 3.32Å; R79-A245 CarbonylContact O-C 3.58Å; R79-A245 WeakPolarHBondContact O-CA 3.06Å; R79-S246 WeakPolarHBondContact CG-OG 3.27Å; R79-S246 PolarHBondContact N-O 2.98Å; R79-S246 PolarHBondContact O-N 2.96Å; R79-S246 VanDerWaalsContact O-O 3.04Å |
| 80 | R | 87.8 | Confident | 85.3 | Confident | 138 Ų | 138 | 36.8 Ų | 36.8 | 52% | 0.521 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -144.5 | -49 | -171.9 | -173.6 | -179.1 | -179.5 | -176.8 | 0.4 | 114.1 | E102 | R80-E102 HydrophobicContact CB-CG 4.41Å; R80-E102 PolarHBondContact N-OE1 3.48Å |
| 81 | D | 84.9 | Confident | 87.8 | Confident | 86 Ų | 86 | 37.7 Ų | 37.7 | 46% | 0.46 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -137.5 | -3.7 | -166.1 | 62.7 | 7.3 | 0 | 0 | 0 | 114 | S83 E102 | D81-S83 VanDerWaalsContact C-N 3.29Å; D81-S83 WeakPolarHBondContact OD1-CB 3.44Å; D81-S83 PolarHBondContact OD1-N 3Å; D81-S83 PolarHBondContact OD1-OG 3.19Å; D81-E102 PolarHBondContact N-OE1 3.42Å |
| 82 | G | 86 | Confident | 89.9 | Confident | 36 Ų | 36 | 38.8 Ų | 38.8 | 37% | 0.371 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 71.9 | 17.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | M84 E102 N216 | G82-M84 PolarHBondContact O-N 3.2Å; G82-E102 WeakPolarHBondContact CA-OE1 3.45Å; G82-E102 WeakPolarHBondContact CA-OE2 3.41Å; G82-E102 VanDerWaalsContact N-CD 3.29Å; G82-E102 PolarHBondContact N-OE1 3.45Å; G82-E102 PolarHBondContact N-OE2 3.06Å; G82-N216 WeakPolarHBondContact CA-ND2 3.34Å |
| 83 | S | 87.5 | Confident | 91.3 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 43% | 0.434 | 20% | 0.199 | S | C | . | . | trans | -66.8 | -15.2 | 175.8 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | D81 E102 | D81-S83 VanDerWaalsContact C-N 3.29Å; D81-S83 WeakPolarHBondContact OD1-CB 3.44Å; D81-S83 PolarHBondContact OD1-N 3Å; D81-S83 PolarHBondContact OD1-OG 3.19Å; S83-E102 PolarHBondContact N-OE2 3.2Å | ||
| 84 | M | 91.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 20% | 0.202 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -119.1 | 132.6 | 179.4 | -171.7 | 61.2 | -169.6 | 0 | 0 | 112.4 | G82 F86 F97 E102 | G82-M84 PolarHBondContact O-N 3.2Å; M84-F86 HydrophobicContact CB-CD2 4.33Å; M84-F86 HydrophobicContact CB-CE2 4.06Å; M84-F86 HydrophobicContact CG-CD2 4.25Å; M84-F86 HydrophobicContact CG-CE2 4.07Å; M84-F86 PolarHBondContact O-N 3.17Å; M84-F97 HydrophobicContact CE-CB 4.15Å; M84-F97 HydrophobicContact CE-CD2 3.49Å; M84-F97 VanDerWaalsContact CE-CD2 3.49Å; M84-F97 HydrophobicContact CE-CE2 4.29Å; M84-F97 HydrophobicContact CE-CG 4.16Å; M84-F97 HydrophobicContact CG-CD2 4.1Å; M84-F97 HydrophobicContact CG-CE2 4.28Å; M84-E102 HydrophobicContact CB-CB 3.72Å; M84-E102 PolarHBondContact N-OE2 3.26Å |
| 85 | D | 91.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 35% | 0.348 | 23% | 0.229 | S | C | . | . | trans | -77.6 | 117.7 | 170.9 | -167.3 | -8.4 | 0 | 0 | 0 | 110 | R87 Q88 | D85-R87 WeakPolarHBondContact OD1-CB 3.13Å; D85-R87 VanDerWaalsContact OD1-CG 3.27Å; D85-R87 WeakPolarHBondContact OD1-CG 3.02Å; D85-R87 PolarHBondContact OD1-N 3.34Å; D85-R87 IonicContact OD1-NE 3.63Å; D85-R87 PolarHBondContact OD1-NE 2.78Å; D85-R87 IonicContact OD2-CZ 3.76Å; D85-R87 IonicContact OD2-NE 2.67Å; D85-R87 PolarHBondContact OD2-NE 2.79Å; D85-R87 IonicContact OD2-NH2 3.69Å; D85-R87 PolarHBondContact OD2-NH2 3.27Å; D85-Q88 VanDerWaalsContact O-CG 3.3Å; D85-Q88 WeakPolarHBondContact O-CG 3.44Å; D85-Q88 PolarHBondContact O-NE2 3.34Å | ||
| 86 | F | 94.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | trans | -88.3 | 0.2 | 176.8 | -87.6 | -116.6 | 0 | 0 | 0 | 113.4 | Q77 R79 M84 Q88 Y93 F97 E102 W104 N213 | Q77-F86 HydrophobicContact CG-CE1 4.16Å; R79-F86 VanDerWaalsContact CD-CE1 3.48Å; R79-F86 VanDerWaalsContact CD-CE2 3.41Å; R79-F86 VanDerWaalsContact NE-CE2 3.3Å; M84-F86 HydrophobicContact CB-CD2 4.33Å; M84-F86 HydrophobicContact CB-CE2 4.06Å; M84-F86 HydrophobicContact CG-CD2 4.25Å; M84-F86 HydrophobicContact CG-CE2 4.07Å; M84-F86 PolarHBondContact O-N 3.17Å; F86-Q88 PolarHBondContact O-N 3.39Å; F86-Y93 WeakPolarHBondContact O-CE2 3.49Å; F86-Y93 PolarHBondContact O-OH 2.79Å; F86-F97 HydrophobicContact CD1-CE2 4.07Å; F86-F97 AromaticContact CD1-CZ 3.93Å; F86-F97 HydrophobicContact CD1-CZ 3.93Å; F86-F97 HydrophobicContact CD2-CE2 4.05Å; F86-F97 HydrophobicContact CE1-CE2 4.09Å; F86-F97 HydrophobicContact CE1-CZ 4.13Å; F86-F97 HydrophobicContact CE2-CE2 4.06Å; F86-F97 HydrophobicContact CG-CE2 4.05Å; F86-F97 HydrophobicContact CG-CZ 4.2Å; F86-F97 HydrophobicContact CZ-CE2 4.08Å; F86-E102 HydrophobicContact CE2-CB 4.16Å; F86-W104 HydrophobicContact CE1-CB 4.42Å; F86-N213 WeakPolarHBondContact CB-O 3.23Å; F86-N213 HydrophobicContact CD1-CB 4.13Å | ||
| 87 | R | 93 | Very high | 93.2 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | trans | -72.7 | 63.2 | 168.3 | -61.2 | -178.9 | -61 | 165.8 | 5.5 | 110.9 | D85 Q197 P215 | D85-R87 WeakPolarHBondContact OD1-CB 3.13Å; D85-R87 VanDerWaalsContact OD1-CG 3.27Å; D85-R87 WeakPolarHBondContact OD1-CG 3.02Å; D85-R87 PolarHBondContact OD1-N 3.34Å; D85-R87 IonicContact OD1-NE 3.63Å; D85-R87 PolarHBondContact OD1-NE 2.78Å; D85-R87 IonicContact OD2-CZ 3.76Å; D85-R87 IonicContact OD2-NE 2.67Å; D85-R87 PolarHBondContact OD2-NE 2.79Å; D85-R87 IonicContact OD2-NH2 3.69Å; D85-R87 PolarHBondContact OD2-NH2 3.27Å; R87-Q197 HydrophobicContact CG-CB 4.08Å; R87-Q197 WeakPolarHBondContact CG-O 3.47Å; R87-P215 HydrophobicContact CG-CB 3.79Å; R87-P215 HydrophobicContact CG-CG 3.36Å | ||
| 88 | Q | 94.6 | Very high | 93 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | trans | -104.5 | 147.8 | -174.5 | -63.9 | -65.6 | -28.8 | 0 | 0 | 110.9 | D85 F86 S92 Y93 F97 Y180 | D85-Q88 VanDerWaalsContact O-CG 3.3Å; D85-Q88 WeakPolarHBondContact O-CG 3.44Å; D85-Q88 PolarHBondContact O-NE2 3.34Å; F86-Q88 PolarHBondContact O-N 3.39Å; Q88-S92 PolarHBondContact OE1-OG 3.08Å; Q88-Y93 HydrophobicContact CB-CD2 3.81Å; Q88-Y93 HydrophobicContact CB-CE2 3.54Å; Q88-Y93 WeakPolarHBondContact O-CD2 3.28Å; Q88-Y93 WeakPolarHBondContact O-CE2 3.48Å; Q88-F97 HydrophobicContact CB-CD1 4.02Å; Q88-F97 HydrophobicContact CB-CE1 3.64Å; Q88-F97 HydrophobicContact CB-CZ 3.95Å; Q88-F97 HydrophobicContact CG-CD1 3.87Å; Q88-F97 HydrophobicContact CG-CD2 3.95Å; Q88-F97 HydrophobicContact CG-CE1 3.66Å; Q88-F97 HydrophobicContact CG-CE2 3.74Å; Q88-F97 HydrophobicContact CG-CG 4Å; Q88-F97 HydrophobicContact CG-CZ 3.59Å; Q88-Y180 WeakPolarHBondContact O-CD1 3.26Å; Q88-Y180 WeakPolarHBondContact O-CE1 3.35Å | ||
| 89 | N | 95.5 | Very high | 92.7 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | trans | -75.9 | 174.8 | -178.6 | 67.8 | 33.9 | 0 | 0 | 0 | 112.1 | N91 S92 Y93 Y180 D181 | N89-N91 VanDerWaalsContact C-N 3.29Å; N89-N91 PolarHBondContact O-N 2.82Å; N89-N91 PolarHBondContact OD1-N 3.21Å; N89-S92 PolarHBondContact O-N 3.02Å; N89-S92 PolarHBondContact OD1-N 2.73Å; N89-S92 PolarHBondContact OD1-OG 3.46Å; N89-Y93 PolarHBondContact O-N 3.43Å; N89-Y180 HydrophobicContact CB-CE1 4.16Å; N89-D181 VanDerWaalsContact CA-OD1 3.31Å; N89-D181 WeakPolarHBondContact CA-OD1 3.4Å; N89-D181 WeakPolarHBondContact CB-OD2 3.43Å | ||
| 90 | W | 96.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 5% | 0.053 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.7 | -45.5 | 178.9 | -178.5 | -99.1 | 0 | 0 | 0 | 112.9 | S92 Y93 K94 E149 N152 Y153 F177 T179 D181 R182 | W90-S92 PolarHBondContact O-N 3.5Å; W90-Y93 PolarHBondContact O-N 2.98Å; W90-K94 WeakPolarHBondContact O-CB 3.34Å; W90-K94 PolarHBondContact O-N 3.33Å; W90-E149 HydrophobicContact CZ2-CG 4.04Å; W90-E149 PolarHBondContact NE1-OE1 2.99Å; W90-N152 HydrophobicContact CH2-CB 3.99Å; W90-Y153 AromaticContact CH2-CD2 3.63Å; W90-Y153 HydrophobicContact CH2-CD2 3.63Å; W90-Y153 HydrophobicContact CH2-CE2 4.13Å; W90-Y153 AromaticContact CZ2-CD2 3.56Å; W90-Y153 HydrophobicContact CZ2-CD2 3.56Å; W90-Y153 AromaticContact CZ2-CE2 3.57Å; W90-Y153 HydrophobicContact CZ2-CE2 3.57Å; W90-F177 HydrophobicContact CZ3-CB 4.39Å; W90-F177 HydrophobicContact CZ3-CD1 4.13Å; W90-F177 WeakPolarHBondContact CZ3-O 3.31Å; W90-T179 HydrophobicContact CE3-CG2 4.07Å; W90-T179 PolarHBondContact N-OG1 2.85Å; W90-D181 PolarHBondContact N-OD1 2.79Å; W90-D181 PolarHBondContact N-OD2 2.88Å; W90-D181 VanDerWaalsContact N-OD2 3.16Å; W90-R182 HydrophobicContact CB-CB 4.15Å; W90-R182 HydrophobicContact CD2-CB 4.33Å; W90-R182 VanDerWaalsContact CD2-CD 3.49Å; W90-R182 HydrophobicContact CD2-CG 4.39Å; W90-R182 HydrophobicContact CE3-CB 3.98Å; W90-R182 HydrophobicContact CE3-CG 4.16Å; W90-R182 HydrophobicContact CG-CB 4.41Å |
| 91 | N | 96.8 | Very high | 92 | Very high | 98 Ų | 98 | 52.3 Ų | 52.3 | 52% | 0.524 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | -176 | -169.3 | 57.8 | 0 | 0 | 0 | 111.8 | N89 K94 M95 | N89-N91 VanDerWaalsContact C-N 3.29Å; N89-N91 PolarHBondContact O-N 2.82Å; N89-N91 PolarHBondContact OD1-N 3.21Å; N91-K94 WeakPolarHBondContact O-CB 3.46Å; N91-K94 PolarHBondContact O-N 3.45Å; N91-M95 WeakPolarHBondContact O-CB 3.46Å; N91-M95 WeakPolarHBondContact O-CG 3.39Å; N91-M95 PolarHBondContact O-N 3.07Å |
| 92 | S | 97.1 | Very high | 92.3 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 172.4 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | Q88 N89 W90 K94 M95 G96 | Q88-S92 PolarHBondContact OE1-OG 3.08Å; N89-S92 PolarHBondContact O-N 3.02Å; N89-S92 PolarHBondContact OD1-N 2.73Å; N89-S92 PolarHBondContact OD1-OG 3.46Å; W90-S92 PolarHBondContact O-N 3.5Å; S92-K94 VanDerWaalsContact C-N 3.34Å; S92-K94 PolarHBondContact O-N 2.88Å; S92-M95 PolarHBondContact O-N 2.97Å; S92-G96 CarbonylContact O-C 3.48Å; S92-G96 VanDerWaalsContact O-CA 3.22Å; S92-G96 WeakPolarHBondContact O-CA 3.22Å; S92-G96 PolarHBondContact O-N 2.66Å |
| 93 | Y | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68 | -31.2 | 176.7 | -88.3 | -78.7 | 0 | 0 | 0 | 113.4 | F86 Q88 N89 W90 F97 W104 G106 N107 F177 T179 A199 | F86-Y93 WeakPolarHBondContact O-CE2 3.49Å; F86-Y93 PolarHBondContact O-OH 2.79Å; Q88-Y93 HydrophobicContact CB-CD2 3.81Å; Q88-Y93 HydrophobicContact CB-CE2 3.54Å; Q88-Y93 WeakPolarHBondContact O-CD2 3.28Å; Q88-Y93 WeakPolarHBondContact O-CE2 3.48Å; N89-Y93 PolarHBondContact O-N 3.43Å; W90-Y93 PolarHBondContact O-N 2.98Å; Y93-F97 AromaticContact CD1-CE1 3.79Å; Y93-F97 HydrophobicContact CD1-CE1 3.79Å; Y93-F97 HydrophobicContact CD1-CZ 4.36Å; Y93-F97 AromaticContact CD2-CE1 3.99Å; Y93-F97 HydrophobicContact CD2-CE1 3.99Å; Y93-F97 AromaticContact CE1-CE1 3.64Å; Y93-F97 HydrophobicContact CE1-CE1 3.64Å; Y93-F97 AromaticContact CE1-CZ 3.74Å; Y93-F97 HydrophobicContact CE1-CZ 3.74Å; Y93-F97 AromaticContact CE2-CE1 3.87Å; Y93-F97 HydrophobicContact CE2-CE1 3.87Å; Y93-F97 HydrophobicContact CE2-CZ 4.09Å; Y93-F97 AromaticContact CG-CE1 3.94Å; Y93-F97 HydrophobicContact CG-CE1 3.94Å; Y93-F97 AromaticContact CZ-CE1 3.67Å; Y93-F97 AromaticContact CZ-CZ 3.57Å; Y93-W104 AromaticContact CD1-CD1 3.5Å; Y93-W104 HydrophobicContact CD1-CD2 4.08Å; Y93-W104 AromaticContact CD1-CE2 3.98Å; Y93-W104 AromaticContact CD1-CG 3.81Å; Y93-W104 HydrophobicContact CD1-CG 3.81Å; Y93-W104 AromaticContact CD1-NE1 3.62Å; Y93-W104 HydrophobicContact CE1-CB 4.33Å; Y93-W104 HydrophobicContact CE1-CD2 4.07Å; Y93-W104 AromaticContact CE1-CG 3.92Å; Y93-W104 HydrophobicContact CE1-CG 3.92Å; Y93-W104 PolarHBondContact O-NE1 3.15Å; Y93-G106 CarbonylContact O-C 3.59Å; Y93-G106 VanDerWaalsContact O-CA 3.3Å; Y93-G106 WeakPolarHBondContact O-CA 3.5Å; Y93-N107 VanDerWaalsContact O-CG 3.26Å; Y93-N107 PolarHBondContact O-N 2.88Å; Y93-N107 PolarHBondContact O-OD1 2.5Å; Y93-F177 AromaticContact CD1-CE1 3.73Å; Y93-F177 HydrophobicContact CD1-CE1 3.73Å; Y93-F177 AromaticContact CD1-CZ 3.59Å; Y93-F177 HydrophobicContact CD1-CZ 3.59Å; Y93-F177 HydrophobicContact CD2-CE1 4.48Å; Y93-F177 HydrophobicContact CE1-CE1 4.45Å; Y93-F177 HydrophobicContact CE1-CZ 4.01Å; Y93-F177 AromaticContact CG-CE1 3.76Å; Y93-F177 HydrophobicContact CG-CE1 3.76Å; Y93-F177 HydrophobicContact CG-CZ 4.12Å; Y93-T179 HydrophobicContact CD2-CG2 3.59Å; Y93-T179 HydrophobicContact CE2-CG2 4.38Å; Y93-T179 HydrophobicContact CG-CG2 4.04Å; Y93-A199 HydrophobicContact CD1-CB 4.06Å; Y93-A199 HydrophobicContact CD2-CB 3.53Å; Y93-A199 HydrophobicContact CE1-CB 3.73Å; Y93-A199 HydrophobicContact CE2-CB 3.12Å; Y93-A199 HydrophobicContact CG-CB 3.98Å |
| 94 | K | 96.5 | Very high | 93.1 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -53.4 | 171.9 | 166.3 | 172.4 | 178.4 | 176.8 | 0 | 111.2 | W90 N91 S92 G106 N107 E108 E149 Y153 | W90-K94 WeakPolarHBondContact O-CB 3.34Å; W90-K94 PolarHBondContact O-N 3.33Å; N91-K94 WeakPolarHBondContact O-CB 3.46Å; N91-K94 PolarHBondContact O-N 3.45Å; S92-K94 VanDerWaalsContact C-N 3.34Å; S92-K94 PolarHBondContact O-N 2.88Å; K94-G106 CarbonylContact O-C 3.52Å; K94-G106 WeakPolarHBondContact O-CA 3.33Å; K94-N107 PolarHBondContact O-N 3.41Å; K94-N107 VanDerWaalsContact O-N 3.14Å; K94-E108 HydrophobicContact CG-CB 4.4Å; K94-E108 PolarHBondContact O-N 3.35Å; K94-E108 VanDerWaalsContact O-N 3.14Å; K94-E149 VanDerWaalsContact CE-OE2 3.27Å; K94-E149 WeakPolarHBondContact CE-OE2 3.26Å; K94-E149 IonicContact NZ-OE1 2.84Å; K94-E149 IonicContact NZ-OE2 3.23Å; K94-E149 PolarHBondContact NZ-OE2 3.19Å; K94-Y153 HydrophobicContact CB-CE2 4.42Å; K94-Y153 WeakPolarHBondContact CG-OH 3.41Å |
| 95 | M | 95.2 | Very high | 93.2 | Very high | 92 Ų | 92 | 42.7 Ų | 42.7 | 45% | 0.453 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -84 | -18.2 | -173.5 | -63.8 | -55.6 | -68.9 | 0 | 0 | 113.4 | R41 N91 S92 | R41-M95 PolarHBondContact NH1-O 3.01Å; R41-M95 PolarHBondContact NH2-O 2.93Å; N91-M95 WeakPolarHBondContact O-CB 3.46Å; N91-M95 WeakPolarHBondContact O-CG 3.39Å; N91-M95 PolarHBondContact O-N 3.07Å; S92-M95 PolarHBondContact O-N 2.97Å |
| 96 | G | 94.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 19% | 0.186 | 21% | 0.209 | C | C | . | . | trans | 81.9 | 158.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S92 W104 G106 | S92-G96 CarbonylContact O-C 3.48Å; S92-G96 VanDerWaalsContact O-CA 3.22Å; S92-G96 WeakPolarHBondContact O-CA 3.22Å; S92-G96 PolarHBondContact O-N 2.66Å; G96-W104 CarbonylContact C-O 3.53Å; G96-W104 WeakPolarHBondContact CA-O 3.29Å; G96-G106 VanDerWaalsContact CA-CA 3.43Å; G96-G106 VanDerWaalsContact N-CA 3.34Å | ||
| 97 | F | 95.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 13% | 0.127 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 167.4 | -175.9 | 60.3 | -95.9 | 0 | 0 | 0 | 110.5 | M84 F86 Q88 Y93 F103 W104 | M84-F97 HydrophobicContact CE-CB 4.15Å; M84-F97 HydrophobicContact CE-CD2 3.49Å; M84-F97 VanDerWaalsContact CE-CD2 3.49Å; M84-F97 HydrophobicContact CE-CE2 4.29Å; M84-F97 HydrophobicContact CE-CG 4.16Å; M84-F97 HydrophobicContact CG-CD2 4.1Å; M84-F97 HydrophobicContact CG-CE2 4.28Å; F86-F97 HydrophobicContact CD1-CE2 4.07Å; F86-F97 AromaticContact CD1-CZ 3.93Å; F86-F97 HydrophobicContact CD1-CZ 3.93Å; F86-F97 HydrophobicContact CD2-CE2 4.05Å; F86-F97 HydrophobicContact CE1-CE2 4.09Å; F86-F97 HydrophobicContact CE1-CZ 4.13Å; F86-F97 HydrophobicContact CE2-CE2 4.06Å; F86-F97 HydrophobicContact CG-CE2 4.05Å; F86-F97 HydrophobicContact CG-CZ 4.2Å; F86-F97 HydrophobicContact CZ-CE2 4.08Å; Q88-F97 HydrophobicContact CB-CD1 4.02Å; Q88-F97 HydrophobicContact CB-CE1 3.64Å; Q88-F97 HydrophobicContact CB-CZ 3.95Å; Q88-F97 HydrophobicContact CG-CD1 3.87Å; Q88-F97 HydrophobicContact CG-CD2 3.95Å; Q88-F97 HydrophobicContact CG-CE1 3.66Å; Q88-F97 HydrophobicContact CG-CE2 3.74Å; Q88-F97 HydrophobicContact CG-CG 4Å; Q88-F97 HydrophobicContact CG-CZ 3.59Å; Y93-F97 AromaticContact CD1-CE1 3.79Å; Y93-F97 HydrophobicContact CD1-CE1 3.79Å; Y93-F97 HydrophobicContact CD1-CZ 4.36Å; Y93-F97 AromaticContact CD2-CE1 3.99Å; Y93-F97 HydrophobicContact CD2-CE1 3.99Å; Y93-F97 AromaticContact CE1-CE1 3.64Å; Y93-F97 HydrophobicContact CE1-CE1 3.64Å; Y93-F97 AromaticContact CE1-CZ 3.74Å; Y93-F97 HydrophobicContact CE1-CZ 3.74Å; Y93-F97 AromaticContact CE2-CE1 3.87Å; Y93-F97 HydrophobicContact CE2-CE1 3.87Å; Y93-F97 HydrophobicContact CE2-CZ 4.09Å; Y93-F97 AromaticContact CG-CE1 3.94Å; Y93-F97 HydrophobicContact CG-CE1 3.94Å; Y93-F97 AromaticContact CZ-CE1 3.67Å; Y93-F97 AromaticContact CZ-CZ 3.57Å; F97-F103 CarbonylContact O-C 2.91Å; F97-F103 VanDerWaalsContact O-CA 3.29Å; F97-F103 WeakPolarHBondContact O-CA 3.48Å; F97-F103 VanDerWaalsContact O-CB 3.3Å; F97-F103 WeakPolarHBondContact O-CB 3.4Å; F97-W104 HydrophobicContact CD1-CB 4.11Å; F97-W104 HydrophobicContact CE1-CB 3.63Å; F97-W104 HydrophobicContact CE1-CG 4.23Å; F97-W104 HydrophobicContact CE2-CB 4.1Å; F97-W104 HydrophobicContact CZ-CB 3.63Å; F97-W104 HydrophobicContact CZ-CG 4.49Å; F97-W104 PolarHBondContact N-O 2.91Å; F97-W104 PolarHBondContact O-N 3.23Å |
| 98 | G | 91.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 36 Ų | 36 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 121 | -164.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E102 | G98-E102 CarbonylContact C-O 3.6Å; G98-E102 WeakPolarHBondContact CA-O 3.49Å |
| 99 | N | 87.3 | Confident | 93.6 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 34% | 0.337 | 19% | 0.188 | S | C | . | . | trans | -136.7 | -167.9 | -176.8 | 65.2 | 35.7 | 0 | 0 | 0 | 110.4 | Q101 E102 | N99-Q101 PolarHBondContact O-N 3.18Å; N99-Q101 WeakPolarHBondContact OD1-CA 3.42Å; N99-Q101 WeakPolarHBondContact OD1-CB 3.31Å; N99-Q101 PolarHBondContact OD1-N 2.71Å; N99-E102 PolarHBondContact N-O 3Å; N99-E102 PolarHBondContact OD1-N 2.97Å; N99-E102 PolarHBondContact OD1-O 3.14Å | ||
| 100 | D | 80.6 | Confident | 93.6 | Very high | 104 Ų | 104 | 31.7 Ų | 31.7 | 56% | 0.556 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -69.7 | -13.5 | -177.2 | -61.4 | -12.9 | 0 | 0 | 0 | 114.9 | F19 | F19-D100 WeakPolarHBondContact CD2-OD1 3.44Å; F19-D100 HydrophobicContact CE2-CB 3.74Å; F19-D100 WeakPolarHBondContact CE2-OD1 3.44Å; F19-D100 HydrophobicContact CZ-CB 4.49Å |
| 101 | Q | 84.7 | Confident | 93.6 | Very high | 67 Ų | 67 | 31.9 Ų | 31.9 | 31% | 0.313 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -102.5 | -43 | -179.2 | -57.8 | -54.3 | -33.4 | 0 | 0 | 112.6 | Q78 N99 | Q78-Q101 WeakPolarHBondContact CG-O 3.37Å; Q78-Q101 PolarHBondContact NE2-O 2.93Å; N99-Q101 PolarHBondContact O-N 3.18Å; N99-Q101 WeakPolarHBondContact OD1-CA 3.42Å; N99-Q101 WeakPolarHBondContact OD1-CB 3.31Å; N99-Q101 PolarHBondContact OD1-N 2.71Å |
| 102 | E | 91.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -139.4 | 128 | -177.4 | -60.4 | -161.7 | 143.6 | 0 | 0 | 111.4 | Q78 R80 D81 G82 S83 M84 F86 G98 N99 | Q78-E102 VanDerWaalsContact O-CA 3.22Å; Q78-E102 WeakPolarHBondContact O-CA 3.31Å; R80-E102 HydrophobicContact CB-CG 4.41Å; R80-E102 PolarHBondContact N-OE1 3.48Å; D81-E102 PolarHBondContact N-OE1 3.42Å; G82-E102 WeakPolarHBondContact CA-OE1 3.45Å; G82-E102 WeakPolarHBondContact CA-OE2 3.41Å; G82-E102 VanDerWaalsContact N-CD 3.29Å; G82-E102 PolarHBondContact N-OE1 3.45Å; G82-E102 PolarHBondContact N-OE2 3.06Å; S83-E102 PolarHBondContact N-OE2 3.2Å; M84-E102 HydrophobicContact CB-CB 3.72Å; M84-E102 PolarHBondContact N-OE2 3.26Å; F86-E102 HydrophobicContact CE2-CB 4.16Å; G98-E102 CarbonylContact C-O 3.6Å; G98-E102 WeakPolarHBondContact CA-O 3.49Å; N99-E102 PolarHBondContact N-O 3Å; N99-E102 PolarHBondContact OD1-N 2.97Å; N99-E102 PolarHBondContact OD1-O 3.14Å |
| 103 | F | 94.2 | Very high | 93.1 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 6% | 0.057 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 161.7 | -176.3 | 65.8 | -89 | 0 | 0 | 0 | 113.6 | F19 V75 Q77 Q78 F97 | F19-F103 HydrophobicContact CZ-CD1 4.37Å; F19-F103 HydrophobicContact CZ-CE1 4.28Å; V75-F103 HydrophobicContact CB-CZ 3.86Å; V75-F103 HydrophobicContact CG1-CE1 4.22Å; V75-F103 HydrophobicContact CG1-CE2 4.25Å; V75-F103 HydrophobicContact CG1-CZ 3.51Å; V75-F103 WeakPolarHBondContact O-CE2 3.35Å; Q77-F103 VanDerWaalsContact CA-O 3.29Å; Q77-F103 WeakPolarHBondContact CA-O 3.37Å; Q78-F103 HydrophobicContact CB-CD1 3.97Å; Q78-F103 HydrophobicContact CB-CE1 3.7Å; Q78-F103 HydrophobicContact CB-CZ 4.32Å; Q78-F103 PolarHBondContact N-O 3.24Å; Q78-F103 PolarHBondContact O-N 3.36Å; Q78-F103 VanDerWaalsContact O-N 3.14Å; F97-F103 CarbonylContact O-C 2.91Å; F97-F103 VanDerWaalsContact O-CA 3.29Å; F97-F103 WeakPolarHBondContact O-CA 3.48Å; F97-F103 VanDerWaalsContact O-CB 3.3Å; F97-F103 WeakPolarHBondContact O-CB 3.4Å |
| 104 | W | 96 | Very high | 92.9 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.9 | 162.7 | -178.3 | -104.7 | 0 | 0 | 0 | 109.3 | Q77 F86 Y93 G96 F97 G106 N107 L110 F177 W201 N213 M248 | Q77-W104 HydrophobicContact CB-CE3 3.62Å; Q77-W104 HydrophobicContact CB-CZ3 3.72Å; Q77-W104 HydrophobicContact CG-CE3 3.5Å; Q77-W104 VanDerWaalsContact CG-CE3 3.5Å; Q77-W104 HydrophobicContact CG-CZ3 3.77Å; F86-W104 HydrophobicContact CE1-CB 4.42Å; Y93-W104 AromaticContact CD1-CD1 3.5Å; Y93-W104 HydrophobicContact CD1-CD2 4.08Å; Y93-W104 AromaticContact CD1-CE2 3.98Å; Y93-W104 AromaticContact CD1-CG 3.81Å; Y93-W104 HydrophobicContact CD1-CG 3.81Å; Y93-W104 AromaticContact CD1-NE1 3.62Å; Y93-W104 HydrophobicContact CE1-CB 4.33Å; Y93-W104 HydrophobicContact CE1-CD2 4.07Å; Y93-W104 AromaticContact CE1-CG 3.92Å; Y93-W104 HydrophobicContact CE1-CG 3.92Å; Y93-W104 PolarHBondContact O-NE1 3.15Å; G96-W104 CarbonylContact C-O 3.53Å; G96-W104 WeakPolarHBondContact CA-O 3.29Å; F97-W104 HydrophobicContact CD1-CB 4.11Å; F97-W104 HydrophobicContact CE1-CB 3.63Å; F97-W104 HydrophobicContact CE1-CG 4.23Å; F97-W104 HydrophobicContact CE2-CB 4.1Å; F97-W104 HydrophobicContact CZ-CB 3.63Å; F97-W104 HydrophobicContact CZ-CG 4.49Å; F97-W104 PolarHBondContact N-O 2.91Å; F97-W104 PolarHBondContact O-N 3.23Å; W104-G106 PolarHBondContact O-N 2.94Å; W104-G106 VanDerWaalsContact O-N 3.16Å; W104-N107 VanDerWaalsContact CE2-OD1 3.32Å; W104-N107 VanDerWaalsContact CZ2-OD1 3.25Å; W104-N107 WeakPolarHBondContact CZ2-OD1 3.19Å; W104-N107 PolarHBondContact NE1-OD1 3.35Å; W104-L110 HydrophobicContact CH2-CD1 4.09Å; W104-L110 HydrophobicContact CZ2-CD1 3.49Å; W104-L110 VanDerWaalsContact CZ2-CD1 3.49Å; W104-F177 HydrophobicContact CH2-CE2 4.41Å; W104-F177 HydrophobicContact CZ2-CE2 4.11Å; W104-F177 HydrophobicContact CZ2-CZ 4.26Å; W104-W201 AromaticContact CH2-CH2 3.96Å; W104-W201 HydrophobicContact CH2-CH2 3.96Å; W104-W201 HydrophobicContact CH2-CZ3 4.2Å; W104-W201 HydrophobicContact CZ2-CH2 4.3Å; W104-N213 WeakPolarHBondContact CZ3-ND2 3.45Å; W104-M248 HydrophobicContact CZ3-SD 4.1Å |
| 105 | I | 94.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | trans | -73.1 | -9.1 | -171.6 | -152 | 173 | 0 | 0 | 0 | 114.5 | R41 V43 Q74 I76 Y109 L110 | R41-I105 PolarHBondContact NE-O 3.17Å; R41-I105 PolarHBondContact NH1-O 3.22Å; R41-I105 PolarHBondContact NH2-O 2.79Å; V43-I105 HydrophobicContact CB-CD1 4.35Å; V43-I105 HydrophobicContact CG1-CD1 3.94Å; V43-I105 HydrophobicContact CG1-CG1 4.49Å; Q74-I105 HydrophobicContact CG-CD1 4.33Å; I76-I105 HydrophobicContact CB-CB 4.25Å; I76-I105 HydrophobicContact CB-CD1 4.43Å; I76-I105 HydrophobicContact CB-CG2 3.68Å; I76-I105 HydrophobicContact CG2-CD1 3.99Å; I76-I105 HydrophobicContact CG2-CG2 3.99Å; I76-I105 VanDerWaalsContact O-CB 3.26Å; I76-I105 WeakPolarHBondContact O-CB 3.24Å; I76-I105 WeakPolarHBondContact O-CG2 3.33Å; I76-I105 PolarHBondContact O-N 2.68Å; I105-Y109 HydrophobicContact CD1-CD1 3.53Å; I105-Y109 HydrophobicContact CD1-CE1 3.41Å; I105-Y109 VanDerWaalsContact CD1-CE1 3.41Å; I105-Y109 HydrophobicContact CG1-CD1 3.66Å; I105-Y109 HydrophobicContact CG1-CE1 4.02Å; I105-Y109 HydrophobicContact CG2-CD1 4.34Å; I105-L110 HydrophobicContact CG2-CD1 4.21Å; I105-L110 HydrophobicContact CG2-CD2 3.64Å; I105-L110 HydrophobicContact CG2-CG 3.6Å | ||
| 106 | G | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | 91.8 | 129.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y93 K94 G96 W104 E108 Y109 L110 | Y93-G106 CarbonylContact O-C 3.59Å; Y93-G106 VanDerWaalsContact O-CA 3.3Å; Y93-G106 WeakPolarHBondContact O-CA 3.5Å; K94-G106 CarbonylContact O-C 3.52Å; K94-G106 WeakPolarHBondContact O-CA 3.33Å; G96-G106 VanDerWaalsContact CA-CA 3.43Å; G96-G106 VanDerWaalsContact N-CA 3.34Å; W104-G106 PolarHBondContact O-N 2.94Å; W104-G106 VanDerWaalsContact O-N 3.16Å; G106-E108 VanDerWaalsContact C-N 3.29Å; G106-E108 PolarHBondContact O-N 2.98Å; G106-Y109 PolarHBondContact O-N 3.11Å; G106-L110 PolarHBondContact O-N 3.29Å | ||
| 107 | N | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -32.5 | -175.4 | -64.7 | -16.6 | 0 | 0 | 0 | 112.7 | Y93 K94 W104 Y109 L110 H111 Y153 F177 | Y93-N107 VanDerWaalsContact O-CG 3.26Å; Y93-N107 PolarHBondContact O-N 2.88Å; Y93-N107 PolarHBondContact O-OD1 2.5Å; K94-N107 PolarHBondContact O-N 3.41Å; K94-N107 VanDerWaalsContact O-N 3.14Å; W104-N107 VanDerWaalsContact CE2-OD1 3.32Å; W104-N107 VanDerWaalsContact CZ2-OD1 3.25Å; W104-N107 WeakPolarHBondContact CZ2-OD1 3.19Å; W104-N107 PolarHBondContact NE1-OD1 3.35Å; N107-Y109 VanDerWaalsContact C-N 3.34Å; N107-L110 WeakPolarHBondContact O-CB 3.25Å; N107-L110 PolarHBondContact O-N 2.81Å; N107-H111 PolarHBondContact O-N 3.1Å; N107-Y153 HydrophobicContact CB-CD1 3.67Å; N107-Y153 HydrophobicContact CB-CD2 3.48Å; N107-Y153 VanDerWaalsContact CB-CD2 3.48Å; N107-Y153 HydrophobicContact CB-CE1 3.76Å; N107-Y153 HydrophobicContact CB-CE2 3.54Å; N107-Y153 HydrophobicContact CB-CG 3.54Å; N107-Y153 WeakPolarHBondContact O-CE1 3.4Å; N107-F177 VanDerWaalsContact ND2-CD1 3.26Å; N107-F177 WeakPolarHBondContact ND2-CD1 3.3Å; N107-F177 WeakPolarHBondContact ND2-CE1 3.47Å |
| 108 | E | 95.5 | Very high | 92 | Very high | 39 Ų | 39 | 30 Ų | 30 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 177.5 | -170.6 | 53.6 | -144.7 | 0 | 0 | 111 | K94 G106 H111 Q112 Y153 | K94-E108 HydrophobicContact CG-CB 4.4Å; K94-E108 PolarHBondContact O-N 3.35Å; K94-E108 VanDerWaalsContact O-N 3.14Å; G106-E108 VanDerWaalsContact C-N 3.29Å; G106-E108 PolarHBondContact O-N 2.98Å; E108-H111 WeakPolarHBondContact O-CB 3.38Å; E108-H111 PolarHBondContact O-N 3.05Å; E108-Q112 WeakPolarHBondContact O-CG 3.45Å; E108-Q112 PolarHBondContact O-N 2.82Å; E108-Y153 PolarHBondContact OE2-OH 3.15Å |
| 109 | Y | 93 | Very high | 91.7 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.5 | -39 | 176.2 | -177.8 | -112.1 | 0 | 0 | 0 | 111.8 | R2 V22 V24 V43 Q74 I105 G106 N107 H111 Q112 I113 | R2-Y109 PolarHBondContact O-OH 3.11Å; V22-Y109 HydrophobicContact CG2-CE2 4.26Å; V22-Y109 WeakPolarHBondContact CG2-OH 3.36Å; V24-Y109 HydrophobicContact CB-CD2 4.36Å; V24-Y109 HydrophobicContact CG1-CD2 3.54Å; V24-Y109 HydrophobicContact CG1-CE2 3.42Å; V24-Y109 VanDerWaalsContact CG1-CE2 3.42Å; V43-Y109 HydrophobicContact CG1-CD1 4.4Å; V43-Y109 HydrophobicContact CG1-CE1 3.49Å; V43-Y109 VanDerWaalsContact CG1-CE1 3.49Å; Q74-Y109 PolarHBondContact NE2-OH 3.41Å; Q74-Y109 PolarHBondContact OE1-OH 3.47Å; Q74-Y109 VanDerWaalsContact OE1-OH 3.08Å; I105-Y109 HydrophobicContact CD1-CD1 3.53Å; I105-Y109 HydrophobicContact CD1-CE1 3.41Å; I105-Y109 VanDerWaalsContact CD1-CE1 3.41Å; I105-Y109 HydrophobicContact CG1-CD1 3.66Å; I105-Y109 HydrophobicContact CG1-CE1 4.02Å; I105-Y109 HydrophobicContact CG2-CD1 4.34Å; G106-Y109 PolarHBondContact O-N 3.11Å; N107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-H111 VanDerWaalsContact C-N 3.31Å; Y109-H111 PolarHBondContact O-N 3.04Å; Y109-Q112 PolarHBondContact O-N 3.42Å; Y109-I113 HydrophobicContact CD1-CD1 4.49Å; Y109-I113 HydrophobicContact CD1-CG2 4.34Å; Y109-I113 HydrophobicContact CD2-CG2 4.06Å; Y109-I113 HydrophobicContact CE1-CD1 4.22Å; Y109-I113 HydrophobicContact CE1-CG2 3.84Å; Y109-I113 HydrophobicContact CE2-CG2 3.46Å; Y109-I113 VanDerWaalsContact CE2-CG2 3.46Å; Y109-I113 HydrophobicContact CG-CG2 4.46Å; Y109-I113 WeakPolarHBondContact O-CG1 3.46Å; Y109-I113 PolarHBondContact O-N 2.81Å; Y109-I113 WeakPolarHBondContact OH-CG2 3.3Å |
| 110 | L | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 171.9 | -74.9 | 177.7 | 0 | 0 | 0 | 112.6 | I76 W104 I105 G106 N107 I113 S114 F144 V146 | I76-L110 HydrophobicContact CB-CD2 3.82Å; I76-L110 HydrophobicContact CD1-CD2 3.72Å; I76-L110 HydrophobicContact CG1-CD2 4.37Å; I76-L110 HydrophobicContact CG2-CD2 3.67Å; W104-L110 HydrophobicContact CH2-CD1 4.09Å; W104-L110 HydrophobicContact CZ2-CD1 3.49Å; W104-L110 VanDerWaalsContact CZ2-CD1 3.49Å; I105-L110 HydrophobicContact CG2-CD1 4.21Å; I105-L110 HydrophobicContact CG2-CD2 3.64Å; I105-L110 HydrophobicContact CG2-CG 3.6Å; G106-L110 PolarHBondContact O-N 3.29Å; N107-L110 WeakPolarHBondContact O-CB 3.25Å; N107-L110 PolarHBondContact O-N 2.81Å; L110-I113 HydrophobicContact CD2-CD1 4.16Å; L110-I113 WeakPolarHBondContact O-CG1 3.5Å; L110-S114 VanDerWaalsContact O-CB 3.25Å; L110-S114 WeakPolarHBondContact O-CB 3.39Å; L110-S114 PolarHBondContact O-N 2.66Å; L110-S114 PolarHBondContact O-OG 2.77Å; L110-F144 HydrophobicContact CD2-CE1 4.33Å; L110-F144 HydrophobicContact CD2-CZ 4.49Å; L110-V146 HydrophobicContact CB-CG2 4.35Å |
| 111 | H | 95.6 | Very high | 91.5 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -50.6 | 174.7 | 172.6 | 53.6 | 0 | 0 | 0 | 110.9 | N107 E108 Y109 I113 S114 L115 V146 S147 P148 Y153 | N107-H111 PolarHBondContact O-N 3.1Å; E108-H111 WeakPolarHBondContact O-CB 3.38Å; E108-H111 PolarHBondContact O-N 3.05Å; Y109-H111 VanDerWaalsContact C-N 3.31Å; Y109-H111 PolarHBondContact O-N 3.04Å; H111-I113 PolarHBondContact O-N 3.36Å; H111-S114 PolarHBondContact O-N 3.09Å; H111-S114 PolarHBondContact O-OG 3.39Å; H111-L115 VanDerWaalsContact O-CB 3.27Å; H111-L115 WeakPolarHBondContact O-CB 3.4Å; H111-L115 PolarHBondContact O-N 3.05Å; H111-V146 PolarHBondContact ND1-O 3.47Å; H111-S147 VanDerWaalsContact ND1-C 3.29Å; H111-S147 PolarHBondContact ND1-O 2.95Å; H111-P148 VanDerWaalsContact CE1-CD 3.5Å; H111-P148 WeakPolarHBondContact CE1-CD 3.48Å; H111-Y153 HydrophobicContact CB-CD1 4.38Å; H111-Y153 HydrophobicContact CB-CE1 4.33Å |
| 112 | Q | 93.3 | Very high | 91.7 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 17% | 0.168 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.3 | -48.7 | -177.7 | -70.5 | -179.5 | 17.1 | 0 | 0 | 112.7 | H25 E108 Y109 Y116 | H25-Q112 PolarHBondContact O-NE2 2.86Å; E108-Q112 WeakPolarHBondContact O-CG 3.45Å; E108-Q112 PolarHBondContact O-N 2.82Å; Y109-Q112 PolarHBondContact O-N 3.42Å; Q112-Y116 VanDerWaalsContact O-CB 3.28Å; Q112-Y116 WeakPolarHBondContact O-CB 3.46Å; Q112-Y116 PolarHBondContact O-N 2.62Å |
| 113 | I | 91 | Very high | 91.6 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | -179.2 | 66.2 | -177.4 | 0 | 0 | 0 | 111.7 | Q74 I76 Y109 L110 H111 Y116 R117 L123 V250 | Q74-I113 VanDerWaalsContact NE2-CD1 3.27Å; I76-I113 HydrophobicContact CG2-CD1 4.48Å; Y109-I113 HydrophobicContact CD1-CD1 4.49Å; Y109-I113 HydrophobicContact CD1-CG2 4.34Å; Y109-I113 HydrophobicContact CD2-CG2 4.06Å; Y109-I113 HydrophobicContact CE1-CD1 4.22Å; Y109-I113 HydrophobicContact CE1-CG2 3.84Å; Y109-I113 HydrophobicContact CE2-CG2 3.46Å; Y109-I113 VanDerWaalsContact CE2-CG2 3.46Å; Y109-I113 HydrophobicContact CG-CG2 4.46Å; Y109-I113 WeakPolarHBondContact O-CG1 3.46Å; Y109-I113 PolarHBondContact O-N 2.81Å; Y109-I113 WeakPolarHBondContact OH-CG2 3.3Å; L110-I113 HydrophobicContact CD2-CD1 4.16Å; L110-I113 WeakPolarHBondContact O-CG1 3.5Å; H111-I113 PolarHBondContact O-N 3.36Å; I113-Y116 PolarHBondContact O-N 2.93Å; I113-R117 WeakPolarHBondContact O-CB 3.48Å; I113-R117 WeakPolarHBondContact O-CG 3.39Å; I113-R117 PolarHBondContact O-N 2.87Å; I113-L123 HydrophobicContact CG1-CD1 4.26Å; I113-V250 HydrophobicContact CD1-CG2 3.96Å |
| 114 | S | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.3 | -37.6 | -179 | 66.4 | 0 | 0 | 0 | 0 | 112.5 | L110 H111 R117 L118 V146 | L110-S114 VanDerWaalsContact O-CB 3.25Å; L110-S114 WeakPolarHBondContact O-CB 3.39Å; L110-S114 PolarHBondContact O-N 2.66Å; L110-S114 PolarHBondContact O-OG 2.77Å; H111-S114 PolarHBondContact O-N 3.09Å; H111-S114 PolarHBondContact O-OG 3.39Å; S114-R117 PolarHBondContact O-N 2.98Å; S114-L118 VanDerWaalsContact O-CB 3.22Å; S114-L118 WeakPolarHBondContact O-CB 3.35Å; S114-L118 PolarHBondContact O-N 3.04Å; S114-V146 PolarHBondContact OG-N 2.81Å |
| 115 | L | 94.2 | Very high | 91.3 | Very high | 49 Ų | 49 | 32.6 Ų | 32.6 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 171.3 | -179.5 | 63.5 | 0 | 0 | 0 | 111.7 | H111 R117 L118 Y145 | H111-L115 VanDerWaalsContact O-CB 3.27Å; H111-L115 WeakPolarHBondContact O-CB 3.4Å; H111-L115 PolarHBondContact O-N 3.05Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 2.78Å; L115-L118 PolarHBondContact O-N 3.18Å; L115-Y145 HydrophobicContact CB-CE2 4.22Å; L115-Y145 HydrophobicContact CD1-CE2 4.21Å |
| 116 | Y | 89.9 | Confident | 91.3 | Very high | 60 Ų | 60 | 33 Ų | 33 | 24% | 0.235 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 177.3 | 171.9 | -115.8 | 0 | 0 | 0 | 111 | R2 Q112 I113 R119 N120 | R2-Y116 HydrophobicContact CB-CD1 4.39Å; R2-Y116 HydrophobicContact CB-CE1 4.21Å; Q112-Y116 VanDerWaalsContact O-CB 3.28Å; Q112-Y116 WeakPolarHBondContact O-CB 3.46Å; Q112-Y116 PolarHBondContact O-N 2.62Å; I113-Y116 PolarHBondContact O-N 2.93Å; Y116-R119 PolarHBondContact O-N 3.32Å; Y116-N120 WeakPolarHBondContact CE2-ND2 2.94Å; Y116-N120 PolarHBondContact O-ND2 3.04Å |
| 117 | R | 88 | Confident | 91.2 | Very high | 12 Ų | 12 | 33 Ų | 33 | 5% | 0.045 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -77.1 | -31.6 | -177.2 | -70.2 | -66 | -175.9 | -167.6 | 1.5 | 113.1 | D3 D6 I113 S114 L115 R119 N120 A121 G122 L123 | D3-R117 IonicContact OD1-CZ 3.87Å; D3-R117 IonicContact OD1-NH2 2.78Å; D3-R117 PolarHBondContact OD1-NH2 3.33Å; D3-R117 IonicContact OD2-CZ 3.12Å; D3-R117 IonicContact OD2-NE 2.74Å; D3-R117 PolarHBondContact OD2-NE 3.16Å; D3-R117 IonicContact OD2-NH2 2.73Å; D3-R117 PolarHBondContact OD2-NH2 3.3Å; D6-R117 IonicContact OD1-CZ 3.68Å; D6-R117 IonicContact OD1-NH1 3.81Å; D6-R117 IonicContact OD1-NH2 2.76Å; D6-R117 PolarHBondContact OD1-NH2 3.36Å; D6-R117 IonicContact OD2-NH2 3.72Å; I113-R117 WeakPolarHBondContact O-CB 3.48Å; I113-R117 WeakPolarHBondContact O-CG 3.39Å; I113-R117 PolarHBondContact O-N 2.87Å; S114-R117 PolarHBondContact O-N 2.98Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 2.78Å; R117-R119 PolarHBondContact O-N 3.1Å; R117-R119 VanDerWaalsContact O-N 3.11Å; R117-N120 PolarHBondContact O-N 3.29Å; R117-A121 PolarHBondContact O-N 2.76Å; R117-G122 PolarHBondContact O-N 2.7Å; R117-L123 HydrophobicContact CB-CD1 4.21Å; R117-L123 HydrophobicContact CB-CD2 3.9Å; R117-L123 HydrophobicContact CB-CG 3.55Å; R117-L123 HydrophobicContact CG-CD1 4.41Å; R117-L123 HydrophobicContact CG-CD2 3.69Å; R117-L123 HydrophobicContact CG-CG 3.89Å |
| 118 | L | 89.6 | Confident | 90.9 | Very high | 106 Ų | 106 | 33 Ų | 33 | 56% | 0.555 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -53 | -33.6 | 173.3 | -175.9 | 65.6 | 0 | 0 | 0 | 112.2 | S114 L115 Y145 | S114-L118 VanDerWaalsContact O-CB 3.22Å; S114-L118 WeakPolarHBondContact O-CB 3.35Å; S114-L118 PolarHBondContact O-N 3.04Å; L115-L118 PolarHBondContact O-N 3.18Å; L118-Y145 HydrophobicContact CD2-CD2 3.91Å; L118-Y145 HydrophobicContact CD2-CE2 4.09Å; L118-Y145 HydrophobicContact CD2-CG 4.49Å |
| 119 | R | 85.7 | Confident | 90.8 | Very high | 193 Ų | 193 | 31.2 Ų | 31.2 | 73% | 0.728 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.3 | 179.2 | -62.8 | 179.8 | -178 | -175.4 | 0.9 | 115 | Y116 R117 | Y116-R119 PolarHBondContact O-N 3.32Å; R117-R119 PolarHBondContact O-N 3.1Å; R117-R119 VanDerWaalsContact O-N 3.11Å |
| 120 | N | 80.7 | Confident | 90.7 | Very high | 103 Ų | 103 | 31.6 Ų | 31.6 | 55% | 0.551 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | -32.1 | -169.5 | -70.3 | -68.8 | 0 | 0 | 0 | 114.2 | Y116 R117 | Y116-N120 WeakPolarHBondContact CE2-ND2 2.94Å; Y116-N120 PolarHBondContact O-ND2 3.04Å; R117-N120 PolarHBondContact O-N 3.29Å |
| 121 | A | 82.4 | Confident | 90.4 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -160.6 | -17.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | R117 P252 L253 S254 | R117-A121 PolarHBondContact O-N 2.76Å; A121-P252 HydrophobicContact CB-CB 4.21Å; A121-L253 WeakPolarHBondContact O-CB 3.4Å; A121-S254 VanDerWaalsContact CB-OG 3.23Å; A121-S254 WeakPolarHBondContact CB-OG 2.89Å |
| 122 | G | 88.6 | Confident | 90 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | trans | 75.2 | 158 | -161.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R117 P252 L253 | R117-G122 PolarHBondContact O-N 2.7Å; G122-P252 WeakPolarHBondContact O-CA 3.27Å; G122-L253 PolarHBondContact O-N 3.38Å; G122-L253 VanDerWaalsContact O-N 3.08Å | ||
| 123 | L | 89.8 | Confident | 89.7 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 145.9 | 169.6 | -79.9 | 176.8 | 0 | 0 | 0 | 111 | I113 R117 G143 F144 V250 R251 | I113-L123 HydrophobicContact CG1-CD1 4.26Å; R117-L123 HydrophobicContact CB-CD1 4.21Å; R117-L123 HydrophobicContact CB-CD2 3.9Å; R117-L123 HydrophobicContact CB-CG 3.55Å; R117-L123 HydrophobicContact CG-CD1 4.41Å; R117-L123 HydrophobicContact CG-CD2 3.69Å; R117-L123 HydrophobicContact CG-CG 3.89Å; L123-G143 CarbonylContact O-C 3.57Å; L123-G143 VanDerWaalsContact O-CA 3.24Å; L123-G143 WeakPolarHBondContact O-CA 3.34Å; L123-G143 PolarHBondContact O-N 3.45Å; L123-F144 HydrophobicContact CB-CB 4.12Å; L123-F144 HydrophobicContact CB-CD1 4.39Å; L123-F144 HydrophobicContact CD1-CD1 4.14Å; L123-F144 PolarHBondContact O-N 3.2Å; L123-V250 HydrophobicContact CD1-CB 4.46Å; L123-V250 HydrophobicContact CD2-CB 4.3Å; L123-R251 CarbonylContact C-O 3.53Å; L123-R251 WeakPolarHBondContact CA-O 3.03Å; L123-R251 VanDerWaalsContact CD2-C 3.47Å; L123-R251 WeakPolarHBondContact CD2-O 3.02Å |
| 124 | Q | 91 | Very high | 89.5 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.3 | 161.4 | -166.2 | -172.7 | -19.1 | 0 | 0 | 108.8 | E140 W141 I142 V250 R251 L253 | Q124-E140 PolarHBondContact NE2-OE1 3.46Å; Q124-E140 PolarHBondContact NE2-OE2 2.79Å; Q124-W141 CarbonylContact C-O 3.27Å; Q124-W141 VanDerWaalsContact CA-O 3.3Å; Q124-W141 WeakPolarHBondContact CA-O 2.97Å; Q124-W141 WeakPolarHBondContact CG-O 3.03Å; Q124-I142 HydrophobicContact CG-CG1 4.38Å; Q124-V250 WeakPolarHBondContact O-CA 3.36Å; Q124-R251 HydrophobicContact CB-CG 4.14Å; Q124-R251 PolarHBondContact N-O 3.5Å; Q124-R251 PolarHBondContact O-N 2.83Å; Q124-R251 VanDerWaalsContact O-N 3.08Å; Q124-L253 HydrophobicContact CB-CD2 3.77Å; Q124-L253 HydrophobicContact CG-CD2 4.4Å |
| 125 | L | 93.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 138.6 | 163.5 | 174.8 | 68.8 | 0 | 0 | 0 | 108.9 | I76 I127 E140 W141 F144 L157 L169 M248 M249 V250 | I76-L125 HydrophobicContact CD1-CD1 3.98Å; L125-I127 HydrophobicContact CD2-CD1 4.35Å; L125-I127 HydrophobicContact CD2-CG1 4.4Å; L125-I127 HydrophobicContact CG-CG1 4.32Å; L125-E140 CarbonylContact O-C 3.52Å; L125-E140 VanDerWaalsContact O-CA 3.27Å; L125-E140 WeakPolarHBondContact O-CA 3.41Å; L125-W141 HydrophobicContact CB-CB 4.39Å; L125-W141 HydrophobicContact CB-CE3 4.47Å; L125-W141 HydrophobicContact CD2-CD2 4.48Å; L125-W141 HydrophobicContact CD2-CE3 3.89Å; L125-W141 HydrophobicContact CD2-CZ3 4.43Å; L125-W141 HydrophobicContact CG-CE3 4.14Å; L125-W141 PolarHBondContact N-O 2.88Å; L125-W141 PolarHBondContact O-N 2.92Å; L125-F144 HydrophobicContact CB-CB 3.9Å; L125-F144 HydrophobicContact CB-CD2 3.83Å; L125-F144 HydrophobicContact CB-CG 3.91Å; L125-F144 HydrophobicContact CD1-CE2 4.43Å; L125-F144 HydrophobicContact CD2-CD2 3.87Å; L125-F144 HydrophobicContact CD2-CE2 4.02Å; L125-F144 HydrophobicContact CG-CD2 4.29Å; L125-L157 HydrophobicContact CD2-CD2 4.15Å; L125-L169 HydrophobicContact CD2-CD1 4.07Å; L125-M248 HydrophobicContact CD1-CB 4.33Å; L125-M248 HydrophobicContact CD1-CE 4.06Å; L125-M248 HydrophobicContact CD2-CE 4.26Å; L125-M249 CarbonylContact C-O 3.59Å; L125-M249 WeakPolarHBondContact CA-O 3.43Å; L125-V250 HydrophobicContact CD1-CG1 4.08Å |
| 126 | R | 92.9 | Very high | 89.1 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.7 | 169.6 | 177 | 173.3 | 179.3 | 106.9 | -7.9 | 108.8 | I66 E128 D139 E140 M248 M249 | I66-R126 PolarHBondContact O-NH2 2.67Å; I66-R126 VanDerWaalsContact O-NH2 3.16Å; R126-E128 HydrophobicContact CG-CG 4.23Å; R126-E128 IonicContact CZ-OE1 3.11Å; R126-E128 IonicContact NE-OE1 3.17Å; R126-E128 PolarHBondContact NE-OE1 3.05Å; R126-E128 IonicContact NH2-OE1 2.66Å; R126-E128 PolarHBondContact NH2-OE1 2.03Å; R126-D139 CarbonylContact C-O 3.49Å; R126-D139 WeakPolarHBondContact CA-O 3.47Å; R126-E140 HydrophobicContact CB-CG 4.17Å; R126-E140 HydrophobicContact CG-CG 4Å; R126-E140 IonicContact CZ-OE1 2.74Å; R126-E140 IonicContact NH1-OE1 3.85Å; R126-E140 PolarHBondContact NH1-OE1 2.85Å; R126-M248 CarbonylContact O-C 3.58Å; R126-M249 HydrophobicContact CG-CE 4.01Å; R126-M249 PolarHBondContact N-O 2.84Å; R126-M249 PolarHBondContact O-N 3.25Å |
| 127 | I | 94.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.8 | 173 | -63.1 | -175.2 | 0 | 0 | 0 | 107.1 | L125 L129 V138 D139 W141 L169 L212 W234 R247 M248 | L125-I127 HydrophobicContact CD2-CD1 4.35Å; L125-I127 HydrophobicContact CD2-CG1 4.4Å; L125-I127 HydrophobicContact CG-CG1 4.32Å; I127-L129 HydrophobicContact CG2-CD2 4.37Å; I127-V138 WeakPolarHBondContact O-CA 3.08Å; I127-D139 PolarHBondContact N-O 3.03Å; I127-D139 PolarHBondContact O-N 3.33Å; I127-W141 HydrophobicContact CB-CZ3 4.16Å; I127-W141 HydrophobicContact CD1-CH2 3.98Å; I127-W141 HydrophobicContact CD1-CZ3 3.66Å; I127-W141 HydrophobicContact CG1-CZ3 3.78Å; I127-L169 HydrophobicContact CD1-CD1 4.12Å; I127-L212 HydrophobicContact CD1-CD1 4.12Å; I127-L212 HydrophobicContact CG2-CD1 3.62Å; I127-W234 HydrophobicContact CD1-CH2 3.65Å; I127-W234 HydrophobicContact CD1-CZ2 4.01Å; I127-W234 HydrophobicContact CD1-CZ3 4.48Å; I127-R247 WeakPolarHBondContact CA-O 3.43Å; I127-M248 HydrophobicContact CD1-CE 4.17Å; I127-M248 HydrophobicContact CD1-CG 4.37Å; I127-M248 HydrophobicContact CG1-CG 4.09Å |
| 128 | E | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.1 | 169 | -61.2 | -175.3 | 175 | 0 | 0 | 109.1 | L63 R126 H137 V138 S246 R247 M249 | L63-E128 HydrophobicContact CD2-CB 3.88Å; R126-E128 HydrophobicContact CG-CG 4.23Å; R126-E128 IonicContact CZ-OE1 3.11Å; R126-E128 IonicContact NE-OE1 3.17Å; R126-E128 PolarHBondContact NE-OE1 3.05Å; R126-E128 IonicContact NH2-OE1 2.66Å; R126-E128 PolarHBondContact NH2-OE1 2.03Å; E128-H137 WeakPolarHBondContact CA-O 3.43Å; E128-V138 HydrophobicContact CG-CG1 4.41Å; E128-V138 HydrophobicContact CG-CG2 4.21Å; E128-S246 CarbonylContact O-C 3.57Å; E128-S246 VanDerWaalsContact O-CA 3.27Å; E128-S246 WeakPolarHBondContact O-CA 3.48Å; E128-R247 HydrophobicContact CB-CG 3.98Å; E128-R247 PolarHBondContact N-O 2.81Å; E128-R247 PolarHBondContact O-N 2.73Å; E128-R247 IonicContact OE1-NH2 3.55Å; E128-R247 IonicContact OE2-CZ 3.73Å; E128-R247 IonicContact OE2-NE 2.68Å; E128-R247 PolarHBondContact OE2-NE 2.82Å; E128-R247 IonicContact OE2-NH2 3.66Å; E128-R247 PolarHBondContact OE2-NH2 3.29Å; E128-M249 HydrophobicContact CB-CE 4.42Å; E128-M249 HydrophobicContact CG-CE 3.73Å |
| 129 | L | 92.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154.1 | 177.9 | 65.2 | 87.4 | 0 | 0 | 0 | 111.8 | I127 L136 H137 L212 W234 V243 A245 | I127-L129 HydrophobicContact CG2-CD2 4.37Å; L129-L136 WeakPolarHBondContact O-CA 3.26Å; L129-H137 HydrophobicContact CD1-CB 3.76Å; L129-H137 HydrophobicContact CG-CB 3.99Å; L129-H137 PolarHBondContact N-O 3.37Å; L129-H137 PolarHBondContact O-N 3.02Å; L129-L212 HydrophobicContact CD2-CD2 4.28Å; L129-W234 HydrophobicContact CD2-CB 3.63Å; L129-W234 HydrophobicContact CD2-CD2 3.81Å; L129-W234 HydrophobicContact CD2-CG 3.37Å; L129-V243 HydrophobicContact CB-CG1 3.95Å; L129-V243 HydrophobicContact CD1-CG2 4.18Å; L129-V243 HydrophobicContact CD2-CG2 4.25Å; L129-A245 CarbonylContact C-O 3.54Å; L129-A245 WeakPolarHBondContact CA-O 3.5Å; L129-A245 WeakPolarHBondContact CB-O 3.5Å |
| 130 | I | 90.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.5 | 169.1 | -51 | 177.5 | 0 | 0 | 0 | 107 | K62 L63 Q135 A244 A245 | K62-I130 VanDerWaalsContact C-CD1 3.49Å; L63-I130 HydrophobicContact CB-CD1 4.26Å; L63-I130 HydrophobicContact CD1-CD1 3.8Å; L63-I130 HydrophobicContact CD1-CG1 4.07Å; L63-I130 HydrophobicContact CG-CD1 3.85Å; L63-I130 HydrophobicContact CG-CG1 3.87Å; I130-Q135 WeakPolarHBondContact CA-O 3.41Å; I130-A244 PolarHBondContact O-N 2.79Å; I130-A245 PolarHBondContact N-O 3.1Å; I130-A245 PolarHBondContact O-N 2.99Å |
| 131 | D | 89.1 | Confident | 90.5 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 173 | 172.4 | 66.1 | 23.3 | 0 | 0 | 0 | 112.3 | D133 G134 Q135 H137 V241 R242 | D131-D133 PolarHBondContact O-N 2.81Å; D131-D133 VanDerWaalsContact O-N 3.15Å; D131-D133 WeakPolarHBondContact OD1-CA 3.25Å; D131-D133 WeakPolarHBondContact OD1-CB 3.41Å; D131-D133 PolarHBondContact OD1-N 3.32Å; D131-G134 PolarHBondContact O-N 3.28Å; D131-G134 PolarHBondContact OD1-N 3.5Å; D131-G134 VanDerWaalsContact OD1-N 3.11Å; D131-Q135 PolarHBondContact N-O 3.14Å; D131-Q135 WeakPolarHBondContact OD1-CB 3.49Å; D131-Q135 PolarHBondContact OD1-N 3.49Å; D131-Q135 WeakPolarHBondContact OD2-CB 3.47Å; D131-H137 IonicContact OD2-CD2 3.17Å; D131-H137 IonicContact OD2-CE1 4Å; D131-H137 IonicContact OD2-NE2 2.81Å; D131-H137 PolarHBondContact OD2-NE2 2.91Å; D131-V241 HydrophobicContact CB-CB 3.99Å; D131-V241 HydrophobicContact CB-CG2 3.59Å; D131-R242 CarbonylContact C-O 3.54Å; D131-R242 VanDerWaalsContact CA-O 3.32Å; D131-R242 WeakPolarHBondContact CA-O 3.47Å |
| 132 | A | 85.9 | Confident | 91 | Very high | 63 Ų | 63 | 23 Ų | 23 | 52% | 0.521 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | G134 R242 | A132-G134 VanDerWaalsContact C-N 3.29Å; A132-R242 HydrophobicContact CB-CB 4.2Å; A132-R242 PolarHBondContact N-O 3.5Å |
| 133 | D | 87.2 | Confident | 91.2 | Very high | 129 Ų | 129 | 23.7 Ų | 23.7 | 69% | 0.69 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 1.9 | 177.6 | -57.8 | -43.2 | 0 | 0 | 0 | 112.6 | D131 Q135 | D131-D133 PolarHBondContact O-N 2.81Å; D131-D133 VanDerWaalsContact O-N 3.15Å; D131-D133 WeakPolarHBondContact OD1-CA 3.25Å; D131-D133 WeakPolarHBondContact OD1-CB 3.41Å; D131-D133 PolarHBondContact OD1-N 3.32Å; D133-Q135 HydrophobicContact CB-CG 4.41Å |
| 134 | G | 86.9 | Confident | 91.4 | Very high | 52 Ų | 52 | 23.7 Ų | 23.7 | 54% | 0.536 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 82.3 | 9.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D131 A132 | D131-G134 PolarHBondContact O-N 3.28Å; D131-G134 PolarHBondContact OD1-N 3.5Å; D131-G134 VanDerWaalsContact OD1-N 3.11Å; A132-G134 VanDerWaalsContact C-N 3.29Å |
| 135 | Q | 89.9 | Confident | 91.7 | Very high | 69 Ų | 69 | 25.3 Ų | 25.3 | 32% | 0.322 | 16% | 0.156 | S | C | . | . | trans | -84 | 135.8 | 179.2 | -50.1 | -176 | 55.1 | 0 | 0 | 111.2 | I130 D131 D133 H137 | I130-Q135 WeakPolarHBondContact CA-O 3.41Å; D131-Q135 PolarHBondContact N-O 3.14Å; D131-Q135 WeakPolarHBondContact OD1-CB 3.49Å; D131-Q135 PolarHBondContact OD1-N 3.49Å; D131-Q135 WeakPolarHBondContact OD2-CB 3.47Å; D133-Q135 HydrophobicContact CB-CG 4.41Å; Q135-H137 PolarHBondContact O-CD2 2.9Å; Q135-H137 VanDerWaalsContact O-CD2 3.3Å | ||
| 136 | L | 89.7 | Confident | 91.9 | Very high | 30 Ų | 30 | 25.3 Ų | 25.3 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.7 | 175.1 | 178.9 | 74.9 | 0 | 0 | 0 | 111.2 | I64 I66 L129 V138 | I64-L136 HydrophobicContact CB-CD2 4.01Å; I64-L136 HydrophobicContact CG2-CD2 4.04Å; I64-L136 WeakPolarHBondContact O-CD1 3.49Å; I64-L136 WeakPolarHBondContact O-CD2 3.02Å; I66-L136 HydrophobicContact CD1-CD2 3.54Å; I66-L136 HydrophobicContact CG1-CD2 3.53Å; L129-L136 WeakPolarHBondContact O-CA 3.26Å; L136-V138 HydrophobicContact CD1-CG2 4.37Å; L136-V138 HydrophobicContact CD2-CG2 3.92Å; L136-V138 HydrophobicContact CG-CG2 3.98Å |
| 137 | H | 90.7 | Very high | 92 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.1 | 169.3 | -53.4 | -91 | 0 | 0 | 0 | 109.9 | E128 L129 D131 Q135 T163 T236 | E128-H137 WeakPolarHBondContact CA-O 3.43Å; L129-H137 HydrophobicContact CD1-CB 3.76Å; L129-H137 HydrophobicContact CG-CB 3.99Å; L129-H137 PolarHBondContact N-O 3.37Å; L129-H137 PolarHBondContact O-N 3.02Å; D131-H137 IonicContact OD2-CD2 3.17Å; D131-H137 IonicContact OD2-CE1 4Å; D131-H137 IonicContact OD2-NE2 2.81Å; D131-H137 PolarHBondContact OD2-NE2 2.91Å; Q135-H137 PolarHBondContact O-CD2 2.9Å; Q135-H137 VanDerWaalsContact O-CD2 3.3Å; H137-T163 WeakPolarHBondContact CA-OG1 3.45Å; H137-T236 VanDerWaalsContact CE1-CB 3.46Å; H137-T236 WeakPolarHBondContact CE1-CB 3.22Å; H137-T236 WeakPolarHBondContact CE1-CG2 3.42Å; H137-T236 WeakPolarHBondContact ND1-CG2 3.01Å |
| 138 | V | 91.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 118.4 | -176.2 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | I127 E128 L136 G162 T163 | I127-V138 WeakPolarHBondContact O-CA 3.08Å; E128-V138 HydrophobicContact CG-CG1 4.41Å; E128-V138 HydrophobicContact CG-CG2 4.21Å; L136-V138 HydrophobicContact CD1-CG2 4.37Å; L136-V138 HydrophobicContact CD2-CG2 3.92Å; L136-V138 HydrophobicContact CG-CG2 3.98Å; V138-G162 CarbonylContact O-C 3.21Å; V138-G162 WeakPolarHBondContact O-CA 3.5Å; V138-T163 HydrophobicContact CB-CG2 4.34Å; V138-T163 PolarHBondContact N-OG1 3.48Å; V138-T163 PolarHBondContact O-N 2.85Å; V138-T163 PolarHBondContact O-OG1 2.86Å |
| 139 | D | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140.7 | 179.3 | -68.2 | -35.9 | 0 | 0 | 0 | 110.6 | R126 I127 W141 Y160 G162 T163 S164 W234 | R126-D139 CarbonylContact C-O 3.49Å; R126-D139 WeakPolarHBondContact CA-O 3.47Å; I127-D139 PolarHBondContact N-O 3.03Å; I127-D139 PolarHBondContact O-N 3.33Å; D139-W141 HydrophobicContact CB-CH2 3.44Å; D139-W141 VanDerWaalsContact CB-CH2 3.44Å; D139-W141 HydrophobicContact CB-CZ2 4.4Å; D139-W141 HydrophobicContact CB-CZ3 3.62Å; D139-Y160 HydrophobicContact CB-CE2 3.92Å; D139-Y160 PolarHBondContact OD1-OH 3.27Å; D139-G162 WeakPolarHBondContact OD1-CA 3.26Å; D139-T163 PolarHBondContact OD1-N 3.26Å; D139-S164 WeakPolarHBondContact OD1-CB 3.46Å; D139-S164 PolarHBondContact OD1-N 2.86Å; D139-S164 PolarHBondContact OD1-OG 2.8Å; D139-S164 VanDerWaalsContact OD2-CB 3.3Å; D139-S164 WeakPolarHBondContact OD2-CB 3.14Å; D139-S164 PolarHBondContact OD2-OG 3.09Å; D139-W234 PolarHBondContact OD2-NE1 2.84Å |
| 140 | E | 93.5 | Very high | 92.4 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142 | -173.1 | -62.6 | -172 | 132 | 0 | 0 | 111.9 | Q124 L125 R126 Y160 R161 | Q124-E140 PolarHBondContact NE2-OE1 3.46Å; Q124-E140 PolarHBondContact NE2-OE2 2.79Å; L125-E140 CarbonylContact O-C 3.52Å; L125-E140 VanDerWaalsContact O-CA 3.27Å; L125-E140 WeakPolarHBondContact O-CA 3.41Å; R126-E140 HydrophobicContact CB-CG 4.17Å; R126-E140 HydrophobicContact CG-CG 4Å; R126-E140 IonicContact CZ-OE1 2.74Å; R126-E140 IonicContact NH1-OE1 3.85Å; R126-E140 PolarHBondContact NH1-OE1 2.85Å; E140-Y160 CarbonylContact O-C 3.53Å; E140-Y160 WeakPolarHBondContact O-CA 3.39Å; E140-R161 WeakPolarHBondContact CA-O 3.26Å; E140-R161 HydrophobicContact CB-CG 3.94Å; E140-R161 PolarHBondContact N-O 3.08Å; E140-R161 PolarHBondContact O-N 3.07Å; E140-R161 VanDerWaalsContact O-O 3.08Å; E140-R161 IonicContact OE2-CZ 3.14Å; E140-R161 IonicContact OE2-NE 2.7Å; E140-R161 PolarHBondContact OE2-NE 2.86Å; E140-R161 IonicContact OE2-NH2 2.73Å; E140-R161 PolarHBondContact OE2-NH2 3.35Å |
| 141 | W | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.7 | 173.9 | -65 | -99.7 | 0 | 0 | 0 | 110.2 | Q124 L125 I127 D139 L157 I159 Y160 D167 L169 W234 | Q124-W141 CarbonylContact C-O 3.27Å; Q124-W141 VanDerWaalsContact CA-O 3.3Å; Q124-W141 WeakPolarHBondContact CA-O 2.97Å; Q124-W141 WeakPolarHBondContact CG-O 3.03Å; L125-W141 HydrophobicContact CB-CB 4.39Å; L125-W141 HydrophobicContact CB-CE3 4.47Å; L125-W141 HydrophobicContact CD2-CD2 4.48Å; L125-W141 HydrophobicContact CD2-CE3 3.89Å; L125-W141 HydrophobicContact CD2-CZ3 4.43Å; L125-W141 HydrophobicContact CG-CE3 4.14Å; L125-W141 PolarHBondContact N-O 2.88Å; L125-W141 PolarHBondContact O-N 2.92Å; I127-W141 HydrophobicContact CB-CZ3 4.16Å; I127-W141 HydrophobicContact CD1-CH2 3.98Å; I127-W141 HydrophobicContact CD1-CZ3 3.66Å; I127-W141 HydrophobicContact CG1-CZ3 3.78Å; D139-W141 HydrophobicContact CB-CH2 3.44Å; D139-W141 VanDerWaalsContact CB-CH2 3.44Å; D139-W141 HydrophobicContact CB-CZ2 4.4Å; D139-W141 HydrophobicContact CB-CZ3 3.62Å; W141-L157 HydrophobicContact CB-CD2 3.79Å; W141-L157 HydrophobicContact CG-CB 4.41Å; W141-L157 HydrophobicContact CG-CD1 4.22Å; W141-L157 HydrophobicContact CG-CD2 3.86Å; W141-L157 HydrophobicContact CG-CG 4.4Å; W141-I159 CarbonylContact C-O 3.6Å; W141-I159 WeakPolarHBondContact CA-O 3.47Å; W141-Y160 HydrophobicContact CD2-CD2 4.27Å; W141-Y160 AromaticContact CE2-CD2 3.59Å; W141-Y160 HydrophobicContact CH2-CD2 4.3Å; W141-Y160 HydrophobicContact CH2-CE2 4.29Å; W141-Y160 AromaticContact CZ2-CD2 3.63Å; W141-Y160 HydrophobicContact CZ2-CD2 3.63Å; W141-Y160 AromaticContact CZ2-CE2 3.93Å; W141-Y160 HydrophobicContact CZ2-CE2 3.93Å; W141-Y160 AromaticContact NE1-CD2 3.69Å; W141-D167 WeakPolarHBondContact CZ2-OD1 3.35Å; W141-D167 VanDerWaalsContact NE1-CG 3.35Å; W141-D167 PolarHBondContact NE1-OD1 3.23Å; W141-D167 PolarHBondContact NE1-OD2 2.89Å; W141-L169 HydrophobicContact CD2-CD1 4.28Å; W141-L169 HydrophobicContact CE3-CD1 4.36Å; W141-L169 HydrophobicContact CH2-CD1 3.97Å; W141-L169 HydrophobicContact CH2-CG 4.18Å; W141-L169 HydrophobicContact CZ2-CB 3.95Å; W141-L169 HydrophobicContact CZ2-CD1 3.82Å; W141-L169 HydrophobicContact CZ2-CG 3.78Å; W141-L169 HydrophobicContact CZ3-CD1 4.23Å; W141-W234 HydrophobicContact CH2-CH2 4.49Å; W141-W234 AromaticContact CH2-CZ2 3.98Å; W141-W234 HydrophobicContact CH2-CZ2 3.98Å |
| 142 | I | 92.5 | Very high | 92.8 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 112.2 | 173 | -64.5 | 174.1 | 0 | 0 | 0 | 107.8 | Q124 G158 I159 L253 | Q124-I142 HydrophobicContact CG-CG1 4.38Å; I142-G158 CarbonylContact O-C 3.59Å; I142-G158 WeakPolarHBondContact O-CA 3.04Å; I142-I159 HydrophobicContact CB-CB 4.39Å; I142-I159 PolarHBondContact N-O 2.03Å; I142-I159 PolarHBondContact O-N 3.41Å; I142-L253 HydrophobicContact CB-CD2 4.37Å; I142-L253 HydrophobicContact CG1-CD2 4.37Å; I142-L253 HydrophobicContact CG2-CD1 3.86Å; I142-L253 HydrophobicContact CG2-CD2 3.73Å; I142-L253 HydrophobicContact CG2-CG 4.48Å |
| 143 | G | 92.8 | Very high | 93.3 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.3 | 75.4 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L123 L157 G158 | L123-G143 CarbonylContact O-C 3.57Å; L123-G143 VanDerWaalsContact O-CA 3.24Å; L123-G143 WeakPolarHBondContact O-CA 3.34Å; L123-G143 PolarHBondContact O-N 3.45Å; G143-L157 CarbonylContact O-C 3.52Å; G143-L157 VanDerWaalsContact O-C 3.27Å; G143-L157 WeakPolarHBondContact O-CA 3.29Å; G143-G158 PolarHBondContact O-N 2.56Å |
| 144 | F | 94.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 2% | 0.022 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.3 | 176.5 | 174.3 | -105 | 0 | 0 | 0 | 110.8 | I76 L110 L123 L125 V146 L155 L157 V250 | I76-F144 HydrophobicContact CD1-CZ 4.25Å; L110-F144 HydrophobicContact CD2-CE1 4.33Å; L110-F144 HydrophobicContact CD2-CZ 4.49Å; L123-F144 HydrophobicContact CB-CB 4.12Å; L123-F144 HydrophobicContact CB-CD1 4.39Å; L123-F144 HydrophobicContact CD1-CD1 4.14Å; L123-F144 PolarHBondContact O-N 3.2Å; L125-F144 HydrophobicContact CB-CB 3.9Å; L125-F144 HydrophobicContact CB-CD2 3.83Å; L125-F144 HydrophobicContact CB-CG 3.91Å; L125-F144 HydrophobicContact CD1-CE2 4.43Å; L125-F144 HydrophobicContact CD2-CD2 3.87Å; L125-F144 HydrophobicContact CD2-CE2 4.02Å; L125-F144 HydrophobicContact CG-CD2 4.29Å; F144-V146 HydrophobicContact CE1-CG2 4.15Å; F144-V146 HydrophobicContact CE2-CG2 4.17Å; F144-V146 HydrophobicContact CZ-CG2 3.65Å; F144-L155 HydrophobicContact CD2-CD1 4.04Å; F144-L155 HydrophobicContact CE2-CD1 3.67Å; F144-L157 HydrophobicContact CD2-CD2 3.76Å; F144-V250 HydrophobicContact CD1-CG1 3.76Å; F144-V250 HydrophobicContact CE1-CG1 3.82Å |
| 145 | Y | 97.1 | Very high | 94.2 | Very high | 41 Ų | 41 | 35 Ų | 35 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 142.1 | 175.9 | 174.1 | -94.2 | 0 | 0 | 0 | 112.3 | L115 L118 L156 | L115-Y145 HydrophobicContact CB-CE2 4.22Å; L115-Y145 HydrophobicContact CD1-CE2 4.21Å; L118-Y145 HydrophobicContact CD2-CD2 3.91Å; L118-Y145 HydrophobicContact CD2-CE2 4.09Å; L118-Y145 HydrophobicContact CD2-CG 4.49Å; Y145-L156 HydrophobicContact CD1-CB 4.24Å; Y145-L156 HydrophobicContact CD1-CD1 3.81Å; Y145-L156 HydrophobicContact CD1-CG 4.18Å; Y145-L156 HydrophobicContact CE1-CD1 4.36Å; Y145-L156 PolarHBondContact N-O 2.74Å; Y145-L156 PolarHBondContact O-N 2.82Å |
| 146 | V | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.2 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | L110 H111 S114 F144 Y153 L154 W201 | L110-V146 HydrophobicContact CB-CG2 4.35Å; H111-V146 PolarHBondContact ND1-O 3.47Å; S114-V146 PolarHBondContact OG-N 2.81Å; F144-V146 HydrophobicContact CE1-CG2 4.15Å; F144-V146 HydrophobicContact CE2-CG2 4.17Å; F144-V146 HydrophobicContact CZ-CG2 3.65Å; V146-Y153 HydrophobicContact CG1-CD1 4.01Å; V146-Y153 HydrophobicContact CG1-CG 4.3Å; V146-L154 WeakPolarHBondContact CA-O 3.41Å; V146-W201 HydrophobicContact CG2-CZ2 3.95Å |
| 147 | S | 96.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 34 Ų | 34 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | trans | -67.1 | 166.7 | 179.2 | 82.2 | 0 | 0 | 0 | 0 | 112 | H111 F151 Y153 L154 | H111-S147 VanDerWaalsContact ND1-C 3.29Å; H111-S147 PolarHBondContact ND1-O 2.95Å; S147-F151 VanDerWaalsContact OG-CB 3.31Å; S147-F151 WeakPolarHBondContact OG-CB 3.42Å; S147-F151 PolarHBondContact OG-O 3.47Å; S147-Y153 WeakPolarHBondContact O-CA 3.38Å; S147-Y153 VanDerWaalsContact O-CD1 3.28Å; S147-Y153 WeakPolarHBondContact O-CD1 3.03Å; S147-Y153 WeakPolarHBondContact OG-CA 3.4Å; S147-Y153 PolarHBondContact OG-N 2.03Å; S147-L154 PolarHBondContact N-O 3.14Å; S147-L154 WeakPolarHBondContact OG-CB 3.21Å; S147-L154 PolarHBondContact OG-N 2.83Å | ||
| 148 | P | 96.1 | Very high | 94.9 | Very high | 39 Ų | 39 | 35 Ų | 35 | 25% | 0.253 | 18% | 0.182 | S | C | . | . | trans | -67.4 | 169.4 | 172 | 27.7 | -34 | 0 | 0 | 0 | 111.9 | H111 K150 F151 Y153 | H111-P148 VanDerWaalsContact CE1-CD 3.5Å; H111-P148 WeakPolarHBondContact CE1-CD 3.48Å; P148-K150 PolarHBondContact O-N 2.78Å; P148-F151 HydrophobicContact CG-CD2 3.84Å; P148-F151 HydrophobicContact CG-CE2 4.36Å; P148-F151 PolarHBondContact O-N 3.36Å; P148-Y153 PolarHBondContact O-N 2.86Å | ||
| 149 | E | 95.4 | Very high | 95 | Very high | 49 Ų | 49 | 40.2 Ų | 40.2 | 23% | 0.229 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -55.5 | -34.2 | 179.4 | -168.1 | 176.4 | -169.8 | 0 | 0 | 113.3 | W90 K94 F151 N152 Y153 R182 | W90-E149 HydrophobicContact CZ2-CG 4.04Å; W90-E149 PolarHBondContact NE1-OE1 2.99Å; K94-E149 VanDerWaalsContact CE-OE2 3.27Å; K94-E149 WeakPolarHBondContact CE-OE2 3.26Å; K94-E149 IonicContact NZ-OE1 2.84Å; K94-E149 IonicContact NZ-OE2 3.23Å; K94-E149 PolarHBondContact NZ-OE2 3.19Å; E149-F151 PolarHBondContact O-N 2.79Å; E149-N152 WeakPolarHBondContact O-CA 3.24Å; E149-N152 PolarHBondContact O-N 3.36Å; E149-Y153 HydrophobicContact CB-CE1 4.1Å; E149-Y153 HydrophobicContact CB-CE2 4.07Å; E149-Y153 HydrophobicContact CG-CE2 3.89Å; E149-R182 IonicContact OE1-NH1 2.66Å |
| 150 | K | 94.4 | Very high | 95.1 | Very high | 179 Ų | 179 | 42.7 Ų | 42.7 | 78% | 0.778 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -53.8 | -27.6 | 176.2 | -179 | 176.9 | 178 | 178.2 | 0 | 113.1 | P148 | P148-K150 PolarHBondContact O-N 2.78Š|
| 151 | F | 94.2 | Very high | 95.1 | Very high | 126 Ų | 126 | 45.6 Ų | 45.6 | 55% | 0.553 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -110.6 | 24.7 | 176.7 | -59.1 | -71.5 | 0 | 0 | 0 | 111.9 | S147 P148 E149 Y153 L154 | S147-F151 VanDerWaalsContact OG-CB 3.31Å; S147-F151 WeakPolarHBondContact OG-CB 3.42Å; S147-F151 PolarHBondContact OG-O 3.47Å; P148-F151 HydrophobicContact CG-CD2 3.84Å; P148-F151 HydrophobicContact CG-CE2 4.36Å; P148-F151 PolarHBondContact O-N 3.36Å; E149-F151 PolarHBondContact O-N 2.79Å; F151-Y153 VanDerWaalsContact C-N 3.28Å; F151-Y153 PolarHBondContact O-N 2.97Å; F151-L154 PolarHBondContact O-N 3.07Å |
| 152 | N | 94.7 | Very high | 95 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 17% | 0.166 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42.8 | 179 | -63.5 | -34.3 | 0 | 0 | 0 | 113.1 | W90 E149 L154 P176 F177 R182 | W90-N152 HydrophobicContact CH2-CB 3.99Å; E149-N152 WeakPolarHBondContact O-CA 3.24Å; E149-N152 PolarHBondContact O-N 3.36Å; N152-L154 VanDerWaalsContact C-N 3.25Å; N152-L154 PolarHBondContact O-N 2.96Å; N152-L154 VanDerWaalsContact O-N 3.17Å; N152-P176 HydrophobicContact CB-CB 3.62Å; N152-F177 WeakPolarHBondContact O-CB 3.45Å; N152-F177 PolarHBondContact O-N 2.85Å; N152-R182 PolarHBondContact OD1-NH2 3.16Å |
| 153 | Y | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 40.5 | 176.5 | -56.8 | -66.9 | 0 | 0 | 0 | 114.1 | W90 K94 N107 E108 H111 V146 S147 P148 E149 F151 L155 W201 | W90-Y153 AromaticContact CH2-CD2 3.63Å; W90-Y153 HydrophobicContact CH2-CD2 3.63Å; W90-Y153 HydrophobicContact CH2-CE2 4.13Å; W90-Y153 AromaticContact CZ2-CD2 3.56Å; W90-Y153 HydrophobicContact CZ2-CD2 3.56Å; W90-Y153 AromaticContact CZ2-CE2 3.57Å; W90-Y153 HydrophobicContact CZ2-CE2 3.57Å; K94-Y153 HydrophobicContact CB-CE2 4.42Å; K94-Y153 WeakPolarHBondContact CG-OH 3.41Å; N107-Y153 HydrophobicContact CB-CD1 3.67Å; N107-Y153 HydrophobicContact CB-CD2 3.48Å; N107-Y153 VanDerWaalsContact CB-CD2 3.48Å; N107-Y153 HydrophobicContact CB-CE1 3.76Å; N107-Y153 HydrophobicContact CB-CE2 3.54Å; N107-Y153 HydrophobicContact CB-CG 3.54Å; N107-Y153 WeakPolarHBondContact O-CE1 3.4Å; E108-Y153 PolarHBondContact OE2-OH 3.15Å; H111-Y153 HydrophobicContact CB-CD1 4.38Å; H111-Y153 HydrophobicContact CB-CE1 4.33Å; V146-Y153 HydrophobicContact CG1-CD1 4.01Å; V146-Y153 HydrophobicContact CG1-CG 4.3Å; S147-Y153 WeakPolarHBondContact O-CA 3.38Å; S147-Y153 VanDerWaalsContact O-CD1 3.28Å; S147-Y153 WeakPolarHBondContact O-CD1 3.03Å; S147-Y153 WeakPolarHBondContact OG-CA 3.4Å; S147-Y153 PolarHBondContact OG-N 2.03Å; P148-Y153 PolarHBondContact O-N 2.86Å; E149-Y153 HydrophobicContact CB-CE1 4.1Å; E149-Y153 HydrophobicContact CB-CE2 4.07Å; E149-Y153 HydrophobicContact CG-CE2 3.89Å; F151-Y153 VanDerWaalsContact C-N 3.28Å; F151-Y153 PolarHBondContact O-N 2.97Å; Y153-L155 PolarHBondContact O-N 2.96Å; Y153-W201 PolarHBondContact O-NE1 2.93Å |
| 154 | L | 95.3 | Very high | 94.8 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | trans | -52.4 | 132.5 | 179.4 | 179.8 | 154.9 | 0 | 0 | 0 | 112.5 | V146 S147 F151 N152 L156 G174 R175 | V146-L154 WeakPolarHBondContact CA-O 3.41Å; S147-L154 PolarHBondContact N-O 3.14Å; S147-L154 WeakPolarHBondContact OG-CB 3.21Å; S147-L154 PolarHBondContact OG-N 2.83Å; F151-L154 PolarHBondContact O-N 3.07Å; N152-L154 VanDerWaalsContact C-N 3.25Å; N152-L154 PolarHBondContact O-N 2.96Å; N152-L154 VanDerWaalsContact O-N 3.17Å; L154-L156 HydrophobicContact CD2-CD2 3.58Å; L154-L156 HydrophobicContact CD2-CG 3.77Å; L154-G174 WeakPolarHBondContact CD1-O 3.33Å; L154-R175 VanDerWaalsContact CA-O 3.29Å; L154-R175 WeakPolarHBondContact CA-O 3.43Å | ||
| 155 | L | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124.6 | -178.8 | 180 | 63.1 | 0 | 0 | 0 | 112.1 | F144 Y153 L157 N172 G174 R175 W201 | F144-L155 HydrophobicContact CD2-CD1 4.04Å; F144-L155 HydrophobicContact CE2-CD1 3.67Å; Y153-L155 PolarHBondContact O-N 2.96Å; L155-L157 HydrophobicContact CD1-CD1 4.47Å; L155-L157 HydrophobicContact CD1-CD2 4.02Å; L155-L157 HydrophobicContact CD1-CG 3.97Å; L155-L157 HydrophobicContact CD2-CD1 3.78Å; L155-L157 HydrophobicContact CD2-CG 4.11Å; L155-L157 HydrophobicContact CG-CD1 4.13Å; L155-L157 HydrophobicContact CG-CD2 4.49Å; L155-L157 HydrophobicContact CG-CG 3.9Å; L155-N172 HydrophobicContact CD2-CB 4.24Å; L155-G174 WeakPolarHBondContact O-CA 3.22Å; L155-G174 PolarHBondContact O-N 3.46Å; L155-R175 PolarHBondContact N-O 3.43Å; L155-R175 VanDerWaalsContact N-O 3.08Å; L155-W201 HydrophobicContact CB-CB 4.21Å; L155-W201 VanDerWaalsContact CB-CD1 3.41Å; L155-W201 HydrophobicContact CB-CD2 3.77Å; L155-W201 HydrophobicContact CB-CG 3.52Å; L155-W201 HydrophobicContact CD1-CD2 4.36Å; L155-W201 HydrophobicContact CD1-CH2 4.47Å; L155-W201 HydrophobicContact CD1-CZ2 4.23Å; L155-W201 HydrophobicContact CD2-CB 4.11Å; L155-W201 HydrophobicContact CD2-CD2 3.75Å; L155-W201 HydrophobicContact CD2-CE3 3.88Å; L155-W201 HydrophobicContact CD2-CG 3.88Å; L155-W201 HydrophobicContact CG-CD2 4.18Å; L155-W201 HydrophobicContact CG-CG 4.29Å |
| 156 | L | 96.7 | Very high | 94.1 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 40% | 0.398 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.5 | 164.4 | -61.8 | -179.5 | 0 | 0 | 0 | 109.5 | Y145 L154 | Y145-L156 HydrophobicContact CD1-CB 4.24Å; Y145-L156 HydrophobicContact CD1-CD1 3.81Å; Y145-L156 HydrophobicContact CD1-CG 4.18Å; Y145-L156 HydrophobicContact CE1-CD1 4.36Å; Y145-L156 PolarHBondContact N-O 2.74Å; Y145-L156 PolarHBondContact O-N 2.82Å; L154-L156 HydrophobicContact CD2-CD2 3.58Å; L154-L156 HydrophobicContact CD2-CG 3.77Å |
| 157 | L | 95.4 | Very high | 94 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.7 | 177.8 | -68.2 | 170.8 | 0 | 0 | 0 | 109.4 | L125 W141 G143 F144 L155 L169 R173 | L125-L157 HydrophobicContact CD2-CD2 4.15Å; W141-L157 HydrophobicContact CB-CD2 3.79Å; W141-L157 HydrophobicContact CG-CB 4.41Å; W141-L157 HydrophobicContact CG-CD1 4.22Å; W141-L157 HydrophobicContact CG-CD2 3.86Å; W141-L157 HydrophobicContact CG-CG 4.4Å; G143-L157 CarbonylContact O-C 3.52Å; G143-L157 VanDerWaalsContact O-C 3.27Å; G143-L157 WeakPolarHBondContact O-CA 3.29Å; F144-L157 HydrophobicContact CD2-CD2 3.76Å; L155-L157 HydrophobicContact CD1-CD1 4.47Å; L155-L157 HydrophobicContact CD1-CD2 4.02Å; L155-L157 HydrophobicContact CD1-CG 3.97Å; L155-L157 HydrophobicContact CD2-CD1 3.78Å; L155-L157 HydrophobicContact CD2-CG 4.11Å; L155-L157 HydrophobicContact CG-CD1 4.13Å; L155-L157 HydrophobicContact CG-CD2 4.49Å; L155-L157 HydrophobicContact CG-CG 3.9Å; L157-L169 HydrophobicContact CD1-CB 3.32Å; L157-L169 HydrophobicContact CD1-CD1 3.72Å; L157-L169 HydrophobicContact CD1-CG 4.16Å; L157-R173 PolarHBondContact O-NE 3.46Å; L157-R173 PolarHBondContact O-NH1 2.81Å; L157-R173 PolarHBondContact O-NH2 3.36Å |
| 158 | G | 94.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -122.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I142 G143 | I142-G158 CarbonylContact O-C 3.59Å; I142-G158 WeakPolarHBondContact O-CA 3.04Å; G143-G158 PolarHBondContact O-N 2.56Å |
| 159 | I | 94.4 | Very high | 93.7 | Very high | 122 Ų | 122 | 54.6 Ų | 54.6 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.9 | -170 | -57.8 | 169.9 | 0 | 0 | 0 | 109.9 | W141 I142 | W141-I159 CarbonylContact C-O 3.6Å; W141-I159 WeakPolarHBondContact CA-O 3.47Å; I142-I159 HydrophobicContact CB-CB 4.39Å; I142-I159 PolarHBondContact N-O 2.03Å; I142-I159 PolarHBondContact O-N 3.41Å |
| 160 | Y | 95.7 | Very high | 93.6 | Very high | 52 Ų | 52 | 57.4 Ų | 57.4 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 143 | 173.6 | 167.2 | -102.2 | 0 | 0 | 0 | 112.3 | D139 E140 W141 S164 V166 D167 | D139-Y160 HydrophobicContact CB-CE2 3.92Å; D139-Y160 PolarHBondContact OD1-OH 3.27Å; E140-Y160 CarbonylContact O-C 3.53Å; E140-Y160 WeakPolarHBondContact O-CA 3.39Å; W141-Y160 HydrophobicContact CD2-CD2 4.27Å; W141-Y160 AromaticContact CE2-CD2 3.59Å; W141-Y160 HydrophobicContact CH2-CD2 4.3Å; W141-Y160 HydrophobicContact CH2-CE2 4.29Å; W141-Y160 AromaticContact CZ2-CD2 3.63Å; W141-Y160 HydrophobicContact CZ2-CD2 3.63Å; W141-Y160 AromaticContact CZ2-CE2 3.93Å; W141-Y160 HydrophobicContact CZ2-CE2 3.93Å; W141-Y160 AromaticContact NE1-CD2 3.69Å; Y160-S164 WeakPolarHBondContact OH-CB 3.33Å; Y160-S164 PolarHBondContact OH-N 2.77Å; Y160-S164 PolarHBondContact OH-O 2.66Å; Y160-V166 PolarHBondContact OH-O 3.32Å; Y160-D167 WeakPolarHBondContact CB-OD2 3.39Å; Y160-D167 HydrophobicContact CD1-CB 3.73Å; Y160-D167 HydrophobicContact CD2-CB 4.07Å; Y160-D167 HydrophobicContact CE1-CB 4.28Å; Y160-D167 HydrophobicContact CG-CB 3.61Å |
| 161 | R | 93.6 | Very high | 93.4 | Very high | 76 Ų | 76 | 54 Ų | 54 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 144.9 | 162.1 | 66.6 | -175.5 | -170.7 | -157.4 | -3.3 | 109.1 | R69 E140 | R69-R161 VanDerWaalsContact NH1-NH2 3.12Å; E140-R161 WeakPolarHBondContact CA-O 3.26Å; E140-R161 HydrophobicContact CB-CG 3.94Å; E140-R161 PolarHBondContact N-O 3.08Å; E140-R161 PolarHBondContact O-N 3.07Å; E140-R161 VanDerWaalsContact O-O 3.08Å; E140-R161 IonicContact OE2-CZ 3.14Å; E140-R161 IonicContact OE2-NE 2.7Å; E140-R161 PolarHBondContact OE2-NE 2.86Å; E140-R161 IonicContact OE2-NH2 2.73Å; E140-R161 PolarHBondContact OE2-NH2 3.35Å |
| 162 | G | 91 | Very high | 93.3 | Very high | 44 Ų | 44 | 48 Ų | 48 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.8 | -176.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V138 D139 | V138-G162 CarbonylContact O-C 3.21Å; V138-G162 WeakPolarHBondContact O-CA 3.5Å; D139-G162 WeakPolarHBondContact OD1-CA 3.26Å |
| 163 | T | 90.1 | Very high | 93.2 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -85.6 | -18.6 | 177.7 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | H137 V138 D139 | H137-T163 WeakPolarHBondContact CA-OG1 3.45Å; V138-T163 HydrophobicContact CB-CG2 4.34Å; V138-T163 PolarHBondContact N-OG1 3.48Å; V138-T163 PolarHBondContact O-N 2.85Å; V138-T163 PolarHBondContact O-OG1 2.86Å; D139-T163 PolarHBondContact OD1-N 3.26Å |
| 164 | S | 90.7 | Very high | 93 | Very high | 8 Ų | 8 | 54 Ų | 54 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -71.4 | 146.6 | 177.4 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | D139 Y160 V166 N168 W234 R235 | D139-S164 WeakPolarHBondContact OD1-CB 3.46Å; D139-S164 PolarHBondContact OD1-N 2.86Å; D139-S164 PolarHBondContact OD1-OG 2.8Å; D139-S164 VanDerWaalsContact OD2-CB 3.3Å; D139-S164 WeakPolarHBondContact OD2-CB 3.14Å; D139-S164 PolarHBondContact OD2-OG 3.09Å; Y160-S164 WeakPolarHBondContact OH-CB 3.33Å; Y160-S164 PolarHBondContact OH-N 2.77Å; Y160-S164 PolarHBondContact OH-O 2.66Å; S164-V166 PolarHBondContact O-N 3.38Å; S164-N168 WeakPolarHBondContact CB-ND2 3.07Å; S164-N168 PolarHBondContact OG-ND2 3.3Å; S164-W234 PolarHBondContact OG-NE1 3.42Å; S164-R235 WeakPolarHBondContact CB-O 3.32Å; S164-R235 PolarHBondContact OG-O 3.45Å |
| 165 | K | 88.2 | Confident | 92.9 | Very high | 167 Ų | 167 | 55.3 Ų | 55.3 | 73% | 0.726 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -62.8 | -25 | -179.6 | 176.6 | 176.5 | -176.9 | 179 | 0 | 113.2 | K237 | K165-K237 HydrophobicContact CB-CB 4.33Š|
| 166 | V | 90.3 | Very high | 92.7 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -138.7 | 159.1 | -178.7 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | Y160 S164 N168 R235 | Y160-V166 PolarHBondContact OH-O 3.32Å; S164-V166 PolarHBondContact O-N 3.38Å; V166-N168 PolarHBondContact O-N 2.79Å; V166-N168 PolarHBondContact O-ND2 2.92Å; V166-R235 HydrophobicContact CG2-CG 4.49Å |
| 167 | D | 94 | Very high | 92.7 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | trans | -67.6 | 100.5 | 165.6 | 179.4 | -5.5 | 0 | 0 | 0 | 109.5 | W141 Y160 L169 L170 | W141-D167 WeakPolarHBondContact CZ2-OD1 3.35Å; W141-D167 VanDerWaalsContact NE1-CG 3.35Å; W141-D167 PolarHBondContact NE1-OD1 3.23Å; W141-D167 PolarHBondContact NE1-OD2 2.89Å; Y160-D167 WeakPolarHBondContact CB-OD2 3.39Å; Y160-D167 HydrophobicContact CD1-CB 3.73Å; Y160-D167 HydrophobicContact CD2-CB 4.07Å; Y160-D167 HydrophobicContact CE1-CB 4.28Å; Y160-D167 HydrophobicContact CG-CB 3.61Å; D167-L169 PolarHBondContact O-N 2.99Å; D167-L169 PolarHBondContact OD1-N 3.09Å; D167-L170 HydrophobicContact CB-CB 3.97Å; D167-L170 VanDerWaalsContact O-CB 3.32Å; D167-L170 WeakPolarHBondContact O-CB 3.43Å; D167-L170 PolarHBondContact O-N 3.02Å; D167-L170 PolarHBondContact OD1-N 2.74Å | ||
| 168 | N | 92.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.7 | -178.9 | -84.5 | -85 | 0 | 0 | 0 | 113.5 | S164 V166 N172 E209 W234 R235 | S164-N168 WeakPolarHBondContact CB-ND2 3.07Å; S164-N168 PolarHBondContact OG-ND2 3.3Å; V166-N168 PolarHBondContact O-N 2.79Å; V166-N168 PolarHBondContact O-ND2 2.92Å; N168-N172 PolarHBondContact O-OD1 3.29Å; N168-E209 HydrophobicContact CB-CB 4.28Å; N168-E209 WeakPolarHBondContact OD1-CB 3.46Å; N168-E209 PolarHBondContact OD1-O 3Å; N168-E209 VanDerWaalsContact OD1-O 3.1Å; N168-W234 HydrophobicContact CB-CD2 4.28Å; N168-W234 HydrophobicContact CB-CH2 3.73Å; N168-W234 HydrophobicContact CB-CZ2 3.27Å; N168-W234 HydrophobicContact CB-CZ3 4.4Å; N168-W234 VanDerWaalsContact CG-CE2 3.42Å; N168-W234 PolarHBondContact ND2-NE1 3.19Å; N168-R235 PolarHBondContact ND2-O 2.98Å; N168-R235 WeakPolarHBondContact OD1-CA 3.47Å; N168-R235 VanDerWaalsContact OD1-CB 3.25Å; N168-R235 WeakPolarHBondContact OD1-CB 3.48Å; N168-R235 PolarHBondContact OD1-N 3.36Å; N168-R235 PolarHBondContact OD1-O 3.01Å |
| 169 | L | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 1.6 | -177 | -63.8 | -179.7 | 0 | 0 | 0 | 113.1 | L125 I127 W141 L157 D167 R171 N172 R173 W200 W234 | L125-L169 HydrophobicContact CD2-CD1 4.07Å; I127-L169 HydrophobicContact CD1-CD1 4.12Å; W141-L169 HydrophobicContact CD2-CD1 4.28Å; W141-L169 HydrophobicContact CE3-CD1 4.36Å; W141-L169 HydrophobicContact CH2-CD1 3.97Å; W141-L169 HydrophobicContact CH2-CG 4.18Å; W141-L169 HydrophobicContact CZ2-CB 3.95Å; W141-L169 HydrophobicContact CZ2-CD1 3.82Å; W141-L169 HydrophobicContact CZ2-CG 3.78Å; W141-L169 HydrophobicContact CZ3-CD1 4.23Å; L157-L169 HydrophobicContact CD1-CB 3.32Å; L157-L169 HydrophobicContact CD1-CD1 3.72Å; L157-L169 HydrophobicContact CD1-CG 4.16Å; D167-L169 PolarHBondContact O-N 2.99Å; D167-L169 PolarHBondContact OD1-N 3.09Å; L169-R171 PolarHBondContact O-N 2.85Å; L169-N172 WeakPolarHBondContact CA-OD1 3.18Å; L169-N172 HydrophobicContact CB-CB 4.5Å; L169-N172 HydrophobicContact CD2-CB 4.21Å; L169-N172 CarbonylContact O-C 3.51Å; L169-N172 WeakPolarHBondContact O-CA 3.33Å; L169-N172 WeakPolarHBondContact O-CB 3.3Å; L169-N172 PolarHBondContact O-N 3.09Å; L169-R173 PolarHBondContact O-N 2.58Å; L169-W200 HydrophobicContact CD2-CZ2 3.78Å; L169-W234 HydrophobicContact CD2-CH2 4.03Å; L169-W234 HydrophobicContact CG-CH2 4.1Å |
| 170 | L | 93 | Very high | 92.4 | Very high | 107 Ų | 107 | 50.8 Ų | 50.8 | 56% | 0.56 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -39.5 | -179.1 | -176.2 | 62.2 | 0 | 0 | 0 | 112.3 | D167 N172 | D167-L170 HydrophobicContact CB-CB 3.97Å; D167-L170 VanDerWaalsContact O-CB 3.32Å; D167-L170 WeakPolarHBondContact O-CB 3.43Å; D167-L170 PolarHBondContact O-N 3.02Å; D167-L170 PolarHBondContact OD1-N 2.74Å; L170-N172 VanDerWaalsContact C-N 3.34Å |
| 171 | R | 91 | Very high | 92.3 | Very high | 107 Ų | 107 | 52.3 Ų | 52.3 | 40% | 0.404 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -21.5 | 177.9 | -73 | -174.3 | -179.2 | 154.7 | 9.3 | 113.7 | L169 R175 L207 E209 | L169-R171 PolarHBondContact O-N 2.85Å; R171-R175 WeakPolarHBondContact O-CG 3.23Å; R171-L207 VanDerWaalsContact CD-O 3.27Å; R171-L207 WeakPolarHBondContact CD-O 3.11Å; R171-L207 PolarHBondContact NH1-O 2.97Å; R171-E209 IonicContact CZ-OE1 3.15Å; R171-E209 IonicContact NE-OE1 3.97Å; R171-E209 IonicContact NH1-OE1 3.21Å; R171-E209 PolarHBondContact NH1-OE1 3.43Å; R171-E209 IonicContact NH2-OE1 3.42Å; R171-E209 PolarHBondContact NH2-OE1 3.15Å |
| 172 | N | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -20.7 | 178.8 | -52.5 | 97.4 | 0 | 0 | 0 | 111.5 | L155 N168 L169 L170 G174 R175 W201 | L155-N172 HydrophobicContact CD2-CB 4.24Å; N168-N172 PolarHBondContact O-OD1 3.29Å; L169-N172 WeakPolarHBondContact CA-OD1 3.18Å; L169-N172 HydrophobicContact CB-CB 4.5Å; L169-N172 HydrophobicContact CD2-CB 4.21Å; L169-N172 CarbonylContact O-C 3.51Å; L169-N172 WeakPolarHBondContact O-CA 3.33Å; L169-N172 WeakPolarHBondContact O-CB 3.3Å; L169-N172 PolarHBondContact O-N 3.09Å; L170-N172 VanDerWaalsContact C-N 3.34Å; N172-G174 PolarHBondContact O-N 3.49Å; N172-R175 VanDerWaalsContact O-CB 3.22Å; N172-R175 WeakPolarHBondContact O-CB 3.43Å; N172-R175 WeakPolarHBondContact O-CG 3.29Å; N172-R175 PolarHBondContact O-N 3.27Å; N172-W201 HydrophobicContact CB-CB 3.97Å; N172-W201 VanDerWaalsContact CB-O 3.31Å; N172-W201 WeakPolarHBondContact CB-O 3.36Å; N172-W201 PolarHBondContact ND2-O 3.06Å |
| 173 | R | 92.9 | Very high | 91.8 | Very high | 125 Ų | 125 | 51.2 Ų | 51.2 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 131.7 | 173.6 | -175.8 | 178.4 | 175.6 | 164.6 | 2.8 | 111 | L157 L169 R175 | L157-R173 PolarHBondContact O-NE 3.46Å; L157-R173 PolarHBondContact O-NH1 2.81Å; L157-R173 PolarHBondContact O-NH2 3.36Å; L169-R173 PolarHBondContact O-N 2.58Å; R173-R175 VanDerWaalsContact C-N 3.25Å; R173-R175 PolarHBondContact O-N 2.91Å |
| 174 | G | 92.4 | Very high | 90.8 | Very high | 33 Ų | 33 | 55 Ų | 55 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 8.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L154 L155 N172 | L154-G174 WeakPolarHBondContact CD1-O 3.33Å; L155-G174 WeakPolarHBondContact O-CA 3.22Å; L155-G174 PolarHBondContact O-N 3.46Å; N172-G174 PolarHBondContact O-N 3.49Å |
| 175 | R | 92.1 | Very high | 89.6 | Confident | 74 Ų | 74 | 56 Ų | 56 | 28% | 0.279 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -97 | 143.5 | 179.6 | -55.6 | -55.5 | 179.3 | -176.1 | -1.5 | 111.3 | L154 L155 R171 N172 R173 W201 | L154-R175 VanDerWaalsContact CA-O 3.29Å; L154-R175 WeakPolarHBondContact CA-O 3.43Å; L155-R175 PolarHBondContact N-O 3.43Å; L155-R175 VanDerWaalsContact N-O 3.08Å; R171-R175 WeakPolarHBondContact O-CG 3.23Å; N172-R175 VanDerWaalsContact O-CB 3.22Å; N172-R175 WeakPolarHBondContact O-CB 3.43Å; N172-R175 WeakPolarHBondContact O-CG 3.29Å; N172-R175 PolarHBondContact O-N 3.27Å; R173-R175 VanDerWaalsContact C-N 3.25Å; R173-R175 PolarHBondContact O-N 2.91Å; R175-W201 HydrophobicContact CB-CB 4.42Å; R175-W201 VanDerWaalsContact O-CD1 3.28Å |
| 176 | P | 93.5 | Very high | 88.4 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 29% | 0.286 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 152.3 | 168.4 | 30.8 | -34.9 | 0 | 0 | 0 | 109.9 | N152 | N152-P176 HydrophobicContact CB-CB 3.62Š|
| 177 | F | 95.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 140.7 | 165.1 | -160.1 | -98 | 0 | 0 | 0 | 108.8 | W90 Y93 W104 N107 N152 T179 A199 W201 | W90-F177 HydrophobicContact CZ3-CB 4.39Å; W90-F177 HydrophobicContact CZ3-CD1 4.13Å; W90-F177 WeakPolarHBondContact CZ3-O 3.31Å; Y93-F177 AromaticContact CD1-CE1 3.73Å; Y93-F177 HydrophobicContact CD1-CE1 3.73Å; Y93-F177 AromaticContact CD1-CZ 3.59Å; Y93-F177 HydrophobicContact CD1-CZ 3.59Å; Y93-F177 HydrophobicContact CD2-CE1 4.48Å; Y93-F177 HydrophobicContact CE1-CE1 4.45Å; Y93-F177 HydrophobicContact CE1-CZ 4.01Å; Y93-F177 AromaticContact CG-CE1 3.76Å; Y93-F177 HydrophobicContact CG-CE1 3.76Å; Y93-F177 HydrophobicContact CG-CZ 4.12Å; W104-F177 HydrophobicContact CH2-CE2 4.41Å; W104-F177 HydrophobicContact CZ2-CE2 4.11Å; W104-F177 HydrophobicContact CZ2-CZ 4.26Å; N107-F177 VanDerWaalsContact ND2-CD1 3.26Å; N107-F177 WeakPolarHBondContact ND2-CD1 3.3Å; N107-F177 WeakPolarHBondContact ND2-CE1 3.47Å; N152-F177 WeakPolarHBondContact O-CB 3.45Å; N152-F177 PolarHBondContact O-N 2.85Å; F177-T179 HydrophobicContact CD1-CG2 4.37Å; F177-T179 HydrophobicContact CE1-CG2 4.01Å; F177-A199 HydrophobicContact CE1-CB 3.69Å; F177-A199 HydrophobicContact CZ-CB 3.76Å; F177-W201 AromaticContact CD2-CD1 4Å; F177-W201 AromaticContact CD2-CD2 3.78Å; F177-W201 HydrophobicContact CD2-CD2 3.78Å; F177-W201 AromaticContact CD2-CE2 3.57Å; F177-W201 HydrophobicContact CD2-CE3 4.28Å; F177-W201 HydrophobicContact CD2-CG 4.11Å; F177-W201 HydrophobicContact CD2-CH2 4.44Å; F177-W201 AromaticContact CD2-CZ2 3.95Å; F177-W201 HydrophobicContact CD2-CZ2 3.95Å; F177-W201 AromaticContact CD2-NE1 3.68Å; F177-W201 HydrophobicContact CE2-CD2 4.33Å; F177-W201 HydrophobicContact CE2-CE3 4.38Å; F177-W201 HydrophobicContact CE2-CH2 4.42Å; F177-W201 HydrophobicContact CE2-CZ2 4.36Å; F177-W201 HydrophobicContact CE2-CZ3 4.42Å |
| 178 | A | 94.1 | Very high | 86 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -130 | 146.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | R182 D183 A193 A199 W200 V202 | A178-R182 WeakPolarHBondContact CA-O 3.29Å; A178-D183 HydrophobicContact CB-CB 4.39Å; A178-A193 HydrophobicContact CB-CB 3.73Å; A178-A199 CarbonylContact O-C 3.57Å; A178-A199 WeakPolarHBondContact O-CA 3.15Å; A178-A199 WeakPolarHBondContact O-CB 3.49Å; A178-W200 PolarHBondContact N-O 3.14Å; A178-W200 PolarHBondContact O-N 2.87Å; A178-W200 VanDerWaalsContact O-N 3.1Å; A178-V202 HydrophobicContact CB-CG2 4.49Å |
| 179 | T | 94.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -121.3 | 170 | 169.2 | 53.6 | 0 | 0 | 0 | 0 | 108.9 | W90 Y93 F177 D181 R182 D183 A193 A199 | W90-T179 HydrophobicContact CE3-CG2 4.07Å; W90-T179 PolarHBondContact N-OG1 2.85Å; Y93-T179 HydrophobicContact CD2-CG2 3.59Å; Y93-T179 HydrophobicContact CE2-CG2 4.38Å; Y93-T179 HydrophobicContact CG-CG2 4.04Å; F177-T179 HydrophobicContact CD1-CG2 4.37Å; F177-T179 HydrophobicContact CE1-CG2 4.01Å; T179-D181 VanDerWaalsContact CB-OD1 3.23Å; T179-D181 WeakPolarHBondContact CB-OD1 3.38Å; T179-D181 PolarHBondContact O-N 2.72Å; T179-D181 PolarHBondContact OG1-OD1 3.36Å; T179-R182 PolarHBondContact N-O 3.02Å; T179-R182 VanDerWaalsContact N-O 3.15Å; T179-R182 CarbonylContact O-C 3.56Å; T179-R182 PolarHBondContact O-N 3.1Å; T179-R182 VanDerWaalsContact O-N 3.09Å; T179-R182 PolarHBondContact OG1-N 3.37Å; T179-D183 PolarHBondContact O-N 2.84Å; T179-A193 WeakPolarHBondContact O-CB 3.35Å; T179-A199 HydrophobicContact CG2-CB 3.72Å |
| 180 | Y | 90.5 | Very high | 84.5 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.9 | -180 | 73.7 | -99.1 | 0 | 0 | 0 | 113.4 | Q88 N89 A194 T198 | Q88-Y180 WeakPolarHBondContact O-CD1 3.26Å; Q88-Y180 WeakPolarHBondContact O-CE1 3.35Å; N89-Y180 HydrophobicContact CB-CE1 4.16Å; Y180-A194 WeakPolarHBondContact O-CB 3.42Å; Y180-T198 PolarHBondContact N-O 3.43Å |
| 181 | D | 92.7 | Very high | 84.2 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -13.5 | 179.2 | 64.8 | -43.6 | 0 | 0 | 0 | 113.4 | N89 W90 T179 | N89-D181 VanDerWaalsContact CA-OD1 3.31Å; N89-D181 WeakPolarHBondContact CA-OD1 3.4Å; N89-D181 WeakPolarHBondContact CB-OD2 3.43Å; W90-D181 PolarHBondContact N-OD1 2.79Å; W90-D181 PolarHBondContact N-OD2 2.88Å; W90-D181 VanDerWaalsContact N-OD2 3.16Å; T179-D181 VanDerWaalsContact CB-OD1 3.23Å; T179-D181 WeakPolarHBondContact CB-OD1 3.38Å; T179-D181 PolarHBondContact O-N 2.72Å; T179-D181 PolarHBondContact OG1-OD1 3.36Å |
| 182 | R | 91.1 | Very high | 84 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -139.4 | 77.5 | 179.3 | -167.1 | 170.5 | 171.7 | 174.9 | -4.9 | 111.1 | W90 E149 N152 A178 T179 | W90-R182 HydrophobicContact CB-CB 4.15Å; W90-R182 HydrophobicContact CD2-CB 4.33Å; W90-R182 VanDerWaalsContact CD2-CD 3.49Å; W90-R182 HydrophobicContact CD2-CG 4.39Å; W90-R182 HydrophobicContact CE3-CB 3.98Å; W90-R182 HydrophobicContact CE3-CG 4.16Å; W90-R182 HydrophobicContact CG-CB 4.41Å; E149-R182 IonicContact OE1-NH1 2.66Å; N152-R182 PolarHBondContact OD1-NH2 3.16Å; A178-R182 WeakPolarHBondContact CA-O 3.29Å; T179-R182 PolarHBondContact N-O 3.02Å; T179-R182 VanDerWaalsContact N-O 3.15Å; T179-R182 CarbonylContact O-C 3.56Å; T179-R182 PolarHBondContact O-N 3.1Å; T179-R182 VanDerWaalsContact O-N 3.09Å; T179-R182 PolarHBondContact OG1-N 3.37Å |
| 183 | D | 83 | Confident | 83.9 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | trans | -112.7 | 86.2 | 173.7 | -165.9 | -13.3 | 0 | 0 | 0 | 110.5 | A178 T179 G185 K191 C192 A193 | A178-D183 HydrophobicContact CB-CB 4.39Å; T179-D183 PolarHBondContact O-N 2.84Å; D183-G185 PolarHBondContact O-N 3.41Å; D183-G185 PolarHBondContact OD1-N 3.03Å; D183-K191 HydrophobicContact CB-CB 4.07Å; D183-K191 HydrophobicContact CB-CG 4.31Å; D183-K191 WeakPolarHBondContact OD2-CA 3.29Å; D183-C192 PolarHBondContact OD2-N 2.61Å; D183-A193 HydrophobicContact CB-CB 4.16Å; D183-A193 WeakPolarHBondContact OD2-CB 3.48Å; D183-A193 PolarHBondContact OD2-N 3.24Å | ||
| 184 | Q | 70.7 | Confident | 83.7 | Confident | 133 Ų | 133 | 58.5 Ų | 58.5 | 62% | 0.621 | 32% | 0.32 | S | S | * | . | trans | -100.6 | 55.3 | 178.5 | -66.3 | -178.5 | -20.1 | 0 | 0 | 110.2 | ||||
| 185 | G | 65.1 | Low | 83.3 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | trans | -61.3 | 168.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D183 F187 | D183-G185 PolarHBondContact O-N 3.41Å; D183-G185 PolarHBondContact OD1-N 3.03Å; G185-F187 PolarHBondContact O-N 2.74Å | ||
| 186 | V | 63.2 | Low | 83 | Confident | 108 Ų | 108 | 64.8 Ų | 64.8 | 66% | 0.655 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -59.9 | -27.6 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | P204 | V186-P204 HydrophobicContact CB-CB 4.37Å; V186-P204 HydrophobicContact CB-CG 4.4Å; V186-P204 HydrophobicContact CG2-CG 4.06Å |
| 187 | F | 65.9 | Low | 82.8 | Confident | 92 Ų | 92 | 66 Ų | 66 | 40% | 0.404 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -105.1 | 117.3 | 180 | -59.6 | -68.5 | 0 | 0 | 0 | 109.7 | G185 N189 I190 P204 R205 | G185-F187 PolarHBondContact O-N 2.74Å; F187-N189 PolarHBondContact O-N 2.77Å; F187-N189 VanDerWaalsContact O-N 3.1Å; F187-I190 HydrophobicContact CB-CB 4.2Å; F187-I190 HydrophobicContact CB-CD1 4.25Å; F187-I190 HydrophobicContact CB-CG1 4.41Å; F187-I190 HydrophobicContact CD2-CD1 4.4Å; F187-I190 HydrophobicContact CG-CD1 4.41Å; F187-I190 PolarHBondContact O-N 2.67Å; F187-P204 HydrophobicContact CD2-CB 3.66Å; F187-P204 HydrophobicContact CE2-CB 3.7Å; F187-R205 HydrophobicContact CE2-CG 4.16Å |
| 188 | A | 67.8 | Low | 82.5 | Confident | 99 Ų | 99 | 66 Ų | 66 | 82% | 0.818 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 189 | N | 76.7 | Confident | 82.5 | Confident | 138 Ų | 138 | 65.7 Ų | 65.7 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -7.7 | -174.9 | 63.9 | -34.1 | 0 | 0 | 0 | 114.5 | F187 | F187-N189 PolarHBondContact O-N 2.77Å; F187-N189 VanDerWaalsContact O-N 3.1Å |
| 190 | I | 79.1 | Confident | 82.5 | Confident | 62 Ų | 62 | 65.7 Ų | 65.7 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | trans | -114.8 | 107 | 179.7 | -61.5 | 166.6 | 0 | 0 | 0 | 108.4 | F187 P204 C206 | F187-I190 HydrophobicContact CB-CB 4.2Å; F187-I190 HydrophobicContact CB-CD1 4.25Å; F187-I190 HydrophobicContact CB-CG1 4.41Å; F187-I190 HydrophobicContact CD2-CD1 4.4Å; F187-I190 HydrophobicContact CG-CD1 4.41Å; F187-I190 PolarHBondContact O-N 2.67Å; I190-P204 WeakPolarHBondContact CG2-O 3.33Å; I190-C206 VanDerWaalsContact CG2-SG 3.58Å | ||
| 191 | K | 84.8 | Confident | 82.7 | Confident | 121 Ų | 121 | 62 Ų | 62 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | trans | -112.5 | 79.6 | 176.6 | -62.8 | -175.4 | 179.8 | 179.9 | 0 | 110.1 | D183 A194 Y195 | D183-K191 HydrophobicContact CB-CB 4.07Å; D183-K191 HydrophobicContact CB-CG 4.31Å; D183-K191 WeakPolarHBondContact OD2-CA 3.29Å; K191-A194 HydrophobicContact CB-CB 3.73Å; K191-A194 PolarHBondContact O-N 3.01Å; K191-Y195 WeakPolarHBondContact O-CB 3.26Å; K191-Y195 PolarHBondContact O-N 2.87Å | ||
| 192 | C | 87.9 | Confident | 82.4 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.3 | -47.8 | -178.2 | -56.5 | 0 | 0 | 0 | 0 | 113.4 | D183 A194 Y195 W196 V202 C206 | D183-C192 PolarHBondContact OD2-N 2.61Å; C192-A194 VanDerWaalsContact C-N 3.29Å; C192-A194 PolarHBondContact O-N 2.74Å; C192-Y195 PolarHBondContact O-N 2.89Å; C192-W196 WeakPolarHBondContact O-CB 3.22Å; C192-W196 PolarHBondContact O-N 3.49Å; C192-V202 HydrophobicContact CB-CB 4.37Å; C192-V202 HydrophobicContact CB-CG1 3.33Å; C192-C206 VanDerWaalsContact CA-SG 3.51Å; C192-C206 HydrophobicContact CB-CB 3.82Å; C192-C206 WeakPolarHBondContact CB-SG 3.49Å; C192-C206 WeakPolarHBondContact SG-CA 3.32Å; C192-C206 WeakPolarHBondContact SG-CB 3.43Å; C192-C206 PolarHBondContact SG-N 2.85Å; C192-C206 CovalentContact SG-SG 2.03Å; C192-C206 PolarHBondContact SG-SG 2.84Å |
| 193 | A | 89.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -38.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A178 T179 D183 Q197 T198 V202 | A178-A193 HydrophobicContact CB-CB 3.73Å; T179-A193 WeakPolarHBondContact O-CB 3.35Å; D183-A193 HydrophobicContact CB-CB 4.16Å; D183-A193 WeakPolarHBondContact OD2-CB 3.48Å; D183-A193 PolarHBondContact OD2-N 3.24Å; A193-Q197 CarbonylContact O-C 3.57Å; A193-Q197 VanDerWaalsContact O-CA 3.3Å; A193-Q197 WeakPolarHBondContact O-CA 3.35Å; A193-Q197 PolarHBondContact O-N 3.05Å; A193-T198 HydrophobicContact CB-CG2 4.49Å; A193-T198 PolarHBondContact O-N 2.96Å; A193-V202 HydrophobicContact CB-CG2 4.19Å |
| 194 | A | 87.9 | Confident | 82.1 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 21% | 0.207 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y180 K191 C192 Q197 | Y180-A194 WeakPolarHBondContact O-CB 3.42Å; K191-A194 HydrophobicContact CB-CB 3.73Å; K191-A194 PolarHBondContact O-N 3.01Å; C192-A194 VanDerWaalsContact C-N 3.29Å; C192-A194 PolarHBondContact O-N 2.74Å; A194-Q197 PolarHBondContact O-N 2.91Å; A194-Q197 PolarHBondContact O-NE2 2.84Å |
| 195 | Y | 85.3 | Confident | 82.8 | Confident | 164 Ų | 164 | 56.9 Ų | 56.9 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.3 | -48 | 179.6 | -177.5 | -96.2 | 0 | 0 | 0 | 112.1 | K191 C192 Q197 | K191-Y195 WeakPolarHBondContact O-CB 3.26Å; K191-Y195 PolarHBondContact O-N 2.87Å; C192-Y195 PolarHBondContact O-N 2.89Å; Y195-Q197 VanDerWaalsContact C-N 3.26Å; Y195-Q197 PolarHBondContact O-N 2.88Å |
| 196 | W | 85 | Confident | 83.7 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 28% | 0.284 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -81.4 | -2 | -179.6 | -61.2 | 116.7 | 0 | 0 | 0 | 114 | C192 T198 H228 | C192-W196 WeakPolarHBondContact O-CB 3.22Å; C192-W196 PolarHBondContact O-N 3.49Å; W196-T198 HydrophobicContact CB-CG2 3.79Å; W196-T198 PolarHBondContact O-N 3.05Å; W196-T198 VanDerWaalsContact O-N 3.1Å; W196-H228 HydrophobicContact CH2-CB 3.66Å; W196-H228 AromaticContact CH2-CD2 3.51Å; W196-H228 AromaticContact CH2-CG 3.35Å; W196-H228 AromaticContact CH2-ND1 3.82Å; W196-H228 AromaticContact CH2-NE2 4Å; W196-H228 HydrophobicContact CZ3-CB 3.94Å |
| 197 | Q | 88.6 | Confident | 84.7 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 33.8 | -174.1 | -61.2 | -71.9 | -53.8 | 0 | 0 | 112.4 | R87 A193 A194 Y195 P215 | R87-Q197 HydrophobicContact CG-CB 4.08Å; R87-Q197 WeakPolarHBondContact CG-O 3.47Å; A193-Q197 CarbonylContact O-C 3.57Å; A193-Q197 VanDerWaalsContact O-CA 3.3Å; A193-Q197 WeakPolarHBondContact O-CA 3.35Å; A193-Q197 PolarHBondContact O-N 3.05Å; A194-Q197 PolarHBondContact O-N 2.91Å; A194-Q197 PolarHBondContact O-NE2 2.84Å; Y195-Q197 VanDerWaalsContact C-N 3.26Å; Y195-Q197 PolarHBondContact O-N 2.88Å; Q197-P215 HydrophobicContact CB-CG 4.31Å; Q197-P215 WeakPolarHBondContact O-CG 3.35Å |
| 198 | T | 90.9 | Very high | 85.5 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | trans | -108.6 | 173.9 | -173.8 | -169 | 0 | 0 | 0 | 0 | 111.1 | Y180 A193 W196 V202 D211 A214 | Y180-T198 PolarHBondContact N-O 3.43Å; A193-T198 HydrophobicContact CB-CG2 4.49Å; A193-T198 PolarHBondContact O-N 2.96Å; W196-T198 HydrophobicContact CB-CG2 3.79Å; W196-T198 PolarHBondContact O-N 3.05Å; W196-T198 VanDerWaalsContact O-N 3.1Å; T198-V202 HydrophobicContact CG2-CG2 4.46Å; T198-D211 VanDerWaalsContact CB-OD2 3.29Å; T198-D211 WeakPolarHBondContact CB-OD2 3.46Å; T198-D211 VanDerWaalsContact CG2-OD2 3.23Å; T198-D211 WeakPolarHBondContact CG2-OD2 3.27Å; T198-D211 VanDerWaalsContact OG1-CG 3.25Å; T198-D211 PolarHBondContact OG1-OD1 2.96Å; T198-D211 PolarHBondContact OG1-OD2 2.86Å; T198-A214 PolarHBondContact OG1-N 2.97Å | ||
| 199 | A | 93.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -136.3 | 120.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y93 F177 A178 T179 N213 | Y93-A199 HydrophobicContact CD1-CB 4.06Å; Y93-A199 HydrophobicContact CD2-CB 3.53Å; Y93-A199 HydrophobicContact CE1-CB 3.73Å; Y93-A199 HydrophobicContact CE2-CB 3.12Å; Y93-A199 HydrophobicContact CG-CB 3.98Å; F177-A199 HydrophobicContact CE1-CB 3.69Å; F177-A199 HydrophobicContact CZ-CB 3.76Å; A178-A199 CarbonylContact O-C 3.57Å; A178-A199 WeakPolarHBondContact O-CA 3.15Å; A178-A199 WeakPolarHBondContact O-CB 3.49Å; T179-A199 HydrophobicContact CG2-CB 3.72Å; A199-N213 WeakPolarHBondContact O-CB 3.32Å; A199-N213 PolarHBondContact O-ND2 3.08Å | ||
| 200 | W | 94.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -160.3 | 175.6 | -175.2 | -157.7 | -126.6 | 0 | 0 | 0 | 110.6 | L169 A178 V202 G210 L212 N213 W234 M248 | L169-W200 HydrophobicContact CD2-CZ2 3.78Å; A178-W200 PolarHBondContact N-O 3.14Å; A178-W200 PolarHBondContact O-N 2.87Å; A178-W200 VanDerWaalsContact O-N 3.1Å; W200-V202 HydrophobicContact CB-CG2 3.86Å; W200-V202 PolarHBondContact O-N 3.26Å; W200-G210 PolarHBondContact NE1-O 3.11Å; W200-L212 HydrophobicContact CH2-CB 4.07Å; W200-L212 HydrophobicContact CH2-CD1 4.48Å; W200-L212 HydrophobicContact CH2-CG 4.33Å; W200-L212 HydrophobicContact CZ3-CB 4.37Å; W200-N213 HydrophobicContact CE3-CB 4.19Å; W200-W234 HydrophobicContact CZ2-CZ3 4.29Å; W200-M248 HydrophobicContact CH2-CE 3.93Å; W200-M248 HydrophobicContact CH2-SD 3.67Å; W200-M248 HydrophobicContact CZ3-CE 4.43Å; W200-M248 HydrophobicContact CZ3-SD 3.94Å |
| 201 | W | 94 | Very high | 87.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -78.1 | 64.1 | 166.5 | -65.7 | -76.2 | 0 | 0 | 0 | 110.5 | W104 V146 Y153 L155 N172 R175 F177 M248 | W104-W201 AromaticContact CH2-CH2 3.96Å; W104-W201 HydrophobicContact CH2-CH2 3.96Å; W104-W201 HydrophobicContact CH2-CZ3 4.2Å; W104-W201 HydrophobicContact CZ2-CH2 4.3Å; V146-W201 HydrophobicContact CG2-CZ2 3.95Å; Y153-W201 PolarHBondContact O-NE1 2.93Å; L155-W201 HydrophobicContact CB-CB 4.21Å; L155-W201 VanDerWaalsContact CB-CD1 3.41Å; L155-W201 HydrophobicContact CB-CD2 3.77Å; L155-W201 HydrophobicContact CB-CG 3.52Å; L155-W201 HydrophobicContact CD1-CD2 4.36Å; L155-W201 HydrophobicContact CD1-CH2 4.47Å; L155-W201 HydrophobicContact CD1-CZ2 4.23Å; L155-W201 HydrophobicContact CD2-CB 4.11Å; L155-W201 HydrophobicContact CD2-CD2 3.75Å; L155-W201 HydrophobicContact CD2-CE3 3.88Å; L155-W201 HydrophobicContact CD2-CG 3.88Å; L155-W201 HydrophobicContact CG-CD2 4.18Å; L155-W201 HydrophobicContact CG-CG 4.29Å; N172-W201 HydrophobicContact CB-CB 3.97Å; N172-W201 VanDerWaalsContact CB-O 3.31Å; N172-W201 WeakPolarHBondContact CB-O 3.36Å; N172-W201 PolarHBondContact ND2-O 3.06Å; R175-W201 HydrophobicContact CB-CB 4.42Å; R175-W201 VanDerWaalsContact O-CD1 3.28Å; F177-W201 AromaticContact CD2-CD1 4Å; F177-W201 AromaticContact CD2-CD2 3.78Å; F177-W201 HydrophobicContact CD2-CD2 3.78Å; F177-W201 AromaticContact CD2-CE2 3.57Å; F177-W201 HydrophobicContact CD2-CE3 4.28Å; F177-W201 HydrophobicContact CD2-CG 4.11Å; F177-W201 HydrophobicContact CD2-CH2 4.44Å; F177-W201 AromaticContact CD2-CZ2 3.95Å; F177-W201 HydrophobicContact CD2-CZ2 3.95Å; F177-W201 AromaticContact CD2-NE1 3.68Å; F177-W201 HydrophobicContact CE2-CD2 4.33Å; F177-W201 HydrophobicContact CE2-CE3 4.38Å; F177-W201 HydrophobicContact CE2-CH2 4.42Å; F177-W201 HydrophobicContact CE2-CZ2 4.36Å; F177-W201 HydrophobicContact CE2-CZ3 4.42Å; W201-M248 HydrophobicContact CZ3-CE 4.49Å |
| 202 | V | 86.2 | Confident | 88.3 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | trans | -66 | 139 | -163.3 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | A178 C192 A193 T198 W200 | A178-V202 HydrophobicContact CB-CG2 4.49Å; C192-V202 HydrophobicContact CB-CB 4.37Å; C192-V202 HydrophobicContact CB-CG1 3.33Å; A193-V202 HydrophobicContact CB-CG2 4.19Å; T198-V202 HydrophobicContact CG2-CG2 4.46Å; W200-V202 HydrophobicContact CB-CG2 3.86Å; W200-V202 PolarHBondContact O-N 3.26Å | ||
| 203 | H | 86.6 | Confident | 88.7 | Confident | 17 Ų | 17 | 33.5 Ų | 33.5 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | trans | -69.2 | 136.8 | 171.8 | -175.6 | -87.7 | 0 | 0 | 0 | 110.3 | R205 C206 | H203-R205 PolarHBondContact ND1-N 3.41Å; H203-R205 VanDerWaalsContact ND1-N 3.18Å; H203-R205 PolarHBondContact O-N 2.94Å; H203-C206 WeakPolarHBondContact O-CA 3.46Å; H203-C206 PolarHBondContact O-N 2.84Å | ||
| 204 | P | 81.8 | Confident | 88.9 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 10% | 0.104 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.9 | -174.7 | -28.3 | 35 | 0 | 0 | 0 | 116.7 | V186 F187 I190 | V186-P204 HydrophobicContact CB-CB 4.37Å; V186-P204 HydrophobicContact CB-CG 4.4Å; V186-P204 HydrophobicContact CG2-CG 4.06Å; F187-P204 HydrophobicContact CD2-CB 3.66Å; F187-P204 HydrophobicContact CE2-CB 3.7Å; I190-P204 WeakPolarHBondContact CG2-O 3.33Å |
| 205 | R | 84.4 | Confident | 88.8 | Confident | 159 Ų | 159 | 33 Ų | 33 | 60% | 0.6 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 14.2 | 175.6 | -62.2 | -172.6 | -69 | -175.7 | -4.2 | 113.6 | F187 H203 L207 | F187-R205 HydrophobicContact CE2-CG 4.16Å; H203-R205 PolarHBondContact ND1-N 3.41Å; H203-R205 VanDerWaalsContact ND1-N 3.18Å; H203-R205 PolarHBondContact O-N 2.94Å; R205-L207 HydrophobicContact CB-CD1 4.08Å; R205-L207 HydrophobicContact CB-CG 4Å; R205-L207 WeakPolarHBondContact O-CG 3.32Å; R205-L207 PolarHBondContact O-N 2.83Å |
| 206 | C | 85.1 | Confident | 88.6 | Confident | 42 Ų | 42 | 28.8 Ų | 28.8 | 28% | 0.284 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 59.6 | 25.4 | -176.1 | -40.5 | 0 | 0 | 0 | 0 | 114.4 | I190 C192 H203 S208 | I190-C206 VanDerWaalsContact CG2-SG 3.58Å; C192-C206 VanDerWaalsContact CA-SG 3.51Å; C192-C206 HydrophobicContact CB-CB 3.82Å; C192-C206 WeakPolarHBondContact CB-SG 3.49Å; C192-C206 WeakPolarHBondContact SG-CA 3.32Å; C192-C206 WeakPolarHBondContact SG-CB 3.43Å; C192-C206 PolarHBondContact SG-N 2.85Å; C192-C206 CovalentContact SG-SG 2.03Å; C192-C206 PolarHBondContact SG-SG 2.84Å; H203-C206 WeakPolarHBondContact O-CA 3.46Å; H203-C206 PolarHBondContact O-N 2.84Å; C206-S208 PolarHBondContact O-N 3.36Å |
| 207 | L | 84.3 | Confident | 87.8 | Confident | 75 Ų | 75 | 29.9 Ų | 29.9 | 39% | 0.393 | 14% | 0.144 | S | C | . | . | trans | -97.4 | 54.2 | -176.6 | -59.6 | 178.8 | 0 | 0 | 0 | 112.2 | R171 R205 | R171-L207 VanDerWaalsContact CD-O 3.27Å; R171-L207 WeakPolarHBondContact CD-O 3.11Å; R171-L207 PolarHBondContact NH1-O 2.97Å; R205-L207 HydrophobicContact CB-CD1 4.08Å; R205-L207 HydrophobicContact CB-CG 4Å; R205-L207 WeakPolarHBondContact O-CG 3.32Å; R205-L207 PolarHBondContact O-N 2.83Å | ||
| 208 | S | 83 | Confident | 86.2 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | trans | -76.6 | 140.1 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | C206 | C206-S208 PolarHBondContact O-N 3.36Š| ||
| 209 | E | 88.2 | Confident | 84.3 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -87.7 | -15.3 | 175.1 | -57.3 | -62.5 | 175.5 | 0 | 0 | 112.6 | N168 R171 F233 W234 R235 | N168-E209 HydrophobicContact CB-CB 4.28Å; N168-E209 WeakPolarHBondContact OD1-CB 3.46Å; N168-E209 PolarHBondContact OD1-O 3Å; N168-E209 VanDerWaalsContact OD1-O 3.1Å; R171-E209 IonicContact CZ-OE1 3.15Å; R171-E209 IonicContact NE-OE1 3.97Å; R171-E209 IonicContact NH1-OE1 3.21Å; R171-E209 PolarHBondContact NH1-OE1 3.43Å; R171-E209 IonicContact NH2-OE1 3.42Å; R171-E209 PolarHBondContact NH2-OE1 3.15Å; E209-F233 WeakPolarHBondContact O-CE2 3.29Å; E209-W234 CarbonylContact O-C 3.54Å; E209-R235 HydrophobicContact CB-CB 4.27Å; E209-R235 PolarHBondContact O-N 3.05Å; E209-R235 IonicContact OE2-CZ 3.41Å; E209-R235 IonicContact OE2-NE 2.77Å; E209-R235 PolarHBondContact OE2-NE 3.15Å; E209-R235 IonicContact OE2-NH2 2.66Å; E209-R235 PolarHBondContact OE2-NH2 2.91Å |
| 210 | G | 91.3 | Very high | 82 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -157.2 | 152.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | W200 F233 W234 | W200-G210 PolarHBondContact NE1-O 3.11Å; G210-F233 VanDerWaalsContact CA-O 3.24Å; G210-F233 WeakPolarHBondContact CA-O 3.3Å; G210-W234 VanDerWaalsContact CA-CE3 3.48Å | ||
| 211 | D | 92.7 | Very high | 79.7 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -144.9 | 104.4 | 172 | -170.2 | -15.9 | 0 | 0 | 0 | 108.9 | T198 N213 A214 I232 F233 | T198-D211 VanDerWaalsContact CB-OD2 3.29Å; T198-D211 WeakPolarHBondContact CB-OD2 3.46Å; T198-D211 VanDerWaalsContact CG2-OD2 3.23Å; T198-D211 WeakPolarHBondContact CG2-OD2 3.27Å; T198-D211 VanDerWaalsContact OG1-CG 3.25Å; T198-D211 PolarHBondContact OG1-OD1 2.96Å; T198-D211 PolarHBondContact OG1-OD2 2.86Å; D211-N213 VanDerWaalsContact C-N 3.3Å; D211-N213 PolarHBondContact OD1-N 3.16Å; D211-A214 HydrophobicContact CB-CB 4.19Å; D211-A214 PolarHBondContact OD1-N 2.85Å; D211-I232 WeakPolarHBondContact O-CG2 3.44Å; D211-F233 HydrophobicContact CB-CD1 4.17Å; D211-F233 HydrophobicContact CB-CE1 3.49Å; D211-F233 VanDerWaalsContact CB-CE1 3.49Å; D211-F233 HydrophobicContact CB-CZ 3.9Å; D211-F233 PolarHBondContact N-O 2.81Å; D211-F233 PolarHBondContact O-N 3.1Å |
| 212 | L | 95 | Very high | 77.3 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -83.7 | -10.7 | -178.5 | -60.7 | -178.3 | 0 | 0 | 0 | 112.9 | Q77 R79 I127 L129 W200 I232 W234 V243 M248 | Q77-L212 PolarHBondContact NE2-O 2.99Å; R79-L212 WeakPolarHBondContact CG-O 3.31Å; R79-L212 PolarHBondContact NH1-O 3.18Å; I127-L212 HydrophobicContact CD1-CD1 4.12Å; I127-L212 HydrophobicContact CG2-CD1 3.62Å; L129-L212 HydrophobicContact CD2-CD2 4.28Å; W200-L212 HydrophobicContact CH2-CB 4.07Å; W200-L212 HydrophobicContact CH2-CD1 4.48Å; W200-L212 HydrophobicContact CH2-CG 4.33Å; W200-L212 HydrophobicContact CZ3-CB 4.37Å; L212-I232 HydrophobicContact CD2-CG2 3.98Å; L212-W234 HydrophobicContact CD1-CE3 4.36Å; L212-W234 HydrophobicContact CD1-CZ3 4.07Å; L212-W234 HydrophobicContact CD2-CD2 4.46Å; L212-W234 HydrophobicContact CD2-CE3 3.71Å; L212-W234 HydrophobicContact CD2-CZ3 4.18Å; L212-W234 HydrophobicContact CG-CE3 3.86Å; L212-W234 HydrophobicContact CG-CZ3 3.79Å; L212-V243 HydrophobicContact CD2-CG1 4.45Å; L212-V243 HydrophobicContact CD2-CG2 4.33Å; L212-M248 HydrophobicContact CD1-CG 3.91Å; L212-M248 HydrophobicContact CD1-SD 4.24Å |
| 213 | N | 95.5 | Very high | 75.6 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -105.2 | 0.8 | -179.9 | -72.3 | -8.9 | 0 | 0 | 0 | 112.3 | Q77 F86 W104 A199 W200 D211 | Q77-N213 PolarHBondContact NE2-OD1 2.91Å; Q77-N213 VanDerWaalsContact NE2-OD1 3.08Å; F86-N213 WeakPolarHBondContact CB-O 3.23Å; F86-N213 HydrophobicContact CD1-CB 4.13Å; W104-N213 WeakPolarHBondContact CZ3-ND2 3.45Å; A199-N213 WeakPolarHBondContact O-CB 3.32Å; A199-N213 PolarHBondContact O-ND2 3.08Å; W200-N213 HydrophobicContact CE3-CB 4.19Å; D211-N213 VanDerWaalsContact C-N 3.3Å; D211-N213 PolarHBondContact OD1-N 3.16Å |
| 214 | A | 92.6 | Very high | 73.7 | Confident | 8 Ų | 8 | 74 Ų | 74 | 7% | 0.066 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -53.7 | 145.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R79 T198 D211 G231 | R79-A214 PolarHBondContact NH1-O 3.27Å; R79-A214 PolarHBondContact NH2-O 3.07Å; T198-A214 PolarHBondContact OG1-N 2.97Å; D211-A214 HydrophobicContact CB-CB 4.19Å; D211-A214 PolarHBondContact OD1-N 2.85Å; A214-G231 WeakPolarHBondContact CB-O 3.43Å |
| 215 | P | 87.1 | Confident | 71.8 | Confident | 5 Ų | 5 | 81.9 Ų | 81.9 | 3% | 0.032 | 40% | 0.4 | C | S | . | . | trans | -60.9 | 148.8 | 177.6 | -20.3 | 33.5 | 0 | 0 | 0 | 110.7 | R87 Q197 Y217 G231 | R87-P215 HydrophobicContact CG-CB 3.79Å; R87-P215 HydrophobicContact CG-CG 3.36Å; Q197-P215 HydrophobicContact CB-CG 4.31Å; Q197-P215 WeakPolarHBondContact O-CG 3.35Å; P215-Y217 HydrophobicContact CB-CD2 4.13Å; P215-Y217 HydrophobicContact CB-CE2 3.69Å; P215-Y217 HydrophobicContact CG-CE2 3.87Å; P215-Y217 PolarHBondContact O-N 3.3Å; P215-G231 WeakPolarHBondContact O-CA 3.43Å | ||
| 216 | N | 81 | Confident | 69.8 | Low | 76 Ų | 76 | 76.9 Ų | 76.9 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | trans | -75.5 | 105.8 | 167.5 | -71.8 | -38.4 | 0 | 0 | 0 | 107.8 | R79 G82 I232 | R79-N216 PolarHBondContact NH2-ND2 3.03Å; R79-N216 VanDerWaalsContact NH2-ND2 3.18Å; G82-N216 WeakPolarHBondContact CA-ND2 3.34Å; N216-I232 WeakPolarHBondContact OD1-CD1 3.42Å; N216-I232 WeakPolarHBondContact OD1-CG1 3.34Å | ||
| 217 | Y | 67 | Low | 67.9 | Low | 98 Ų | 98 | 81 Ų | 81 | 38% | 0.384 | 42% | 0.416 | S | S | . | . | trans | -87.6 | 125.2 | 167.3 | -71.8 | -85.4 | 0 | 0 | 0 | 107.6 | P215 E230 | P215-Y217 HydrophobicContact CB-CD2 4.13Å; P215-Y217 HydrophobicContact CB-CE2 3.69Å; P215-Y217 HydrophobicContact CG-CE2 3.87Å; P215-Y217 PolarHBondContact O-N 3.3Å; Y217-E230 HydrophobicContact CD2-CB 4.3Å; Y217-E230 HydrophobicContact CG-CB 4.27Å | ||
| 218 | D | 56.2 | Low | 66.4 | Low | 141 Ų | 141 | 81.4 Ų | 81.4 | 75% | 0.754 | 42% | 0.416 | S | S | * | . | trans | -57.2 | 143.9 | 179.2 | -114.7 | -30 | 0 | 0 | 0 | 110.4 | Q220 | D218-Q220 PolarHBondContact O-N 3.34Š| ||
| 219 | Q | 51.5 | Low | 65.1 | Low | 172 Ų | 172 | 83 Ų | 83 | 80% | 0.804 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 18.8 | -175.6 | -64.8 | -177.6 | -47.5 | 0 | 0 | 114.7 | ||
| 220 | Q | 44.3 | Very low | 64.2 | Low | 180 Ų | 180 | 84.9 Ų | 84.9 | 84% | 0.841 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 4.7 | -174.9 | -76.4 | -165.9 | -15 | 0 | 0 | 115 | D218 D222 | D218-Q220 PolarHBondContact O-N 3.34Å; Q220-D222 PolarHBondContact O-N 3.24Å |
| 221 | L | 45.3 | Very low | 63.8 | Low | 98 Ų | 98 | 85.4 Ų | 85.4 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -83.9 | 105 | 166.9 | -75.3 | 159.9 | 0 | 0 | 0 | 108.2 | D223 E230 | L221-D223 PolarHBondContact O-N 2.75Å; L221-E230 WeakPolarHBondContact CD1-OE2 3.47Å |
| 222 | D | 43.9 | Very low | 63.8 | Low | 147 Ų | 147 | 85.3 Ų | 85.3 | 79% | 0.786 | 44% | 0.436 | S | S | * | . | trans | -44.7 | 117.5 | 179.1 | -147.4 | -8 | 0 | 0 | 0 | 109.6 | Q220 Q224 | Q220-D222 PolarHBondContact O-N 3.24Å; D222-Q224 PolarHBondContact O-N 3.49Å | ||
| 223 | D | 50.9 | Low | 63.6 | Low | 112 Ų | 112 | 86 Ų | 86 | 60% | 0.599 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 18.4 | -162.7 | -92.7 | -33 | 0 | 0 | 0 | 114.3 | L221 R242 | L221-D223 PolarHBondContact O-N 2.75Å; D223-R242 IonicContact OD1-CZ 3.16Å; D223-R242 IonicContact OD1-NH1 2.7Å; D223-R242 PolarHBondContact OD1-NH1 2.9Å; D223-R242 VanDerWaalsContact OD1-NH1 3.14Å; D223-R242 IonicContact OD1-NH2 2.76Å; D223-R242 PolarHBondContact OD1-NH2 3.22Å; D223-R242 IonicContact OD2-NH1 3.57Å |
| 224 | Q | 47.6 | Very low | 63.5 | Low | 180 Ų | 180 | 86 Ų | 86 | 84% | 0.841 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -13.3 | -171.2 | -61.5 | -149.2 | -17 | 0 | 0 | 116.1 | D222 | D222-Q224 PolarHBondContact O-N 3.49Š|
| 225 | E | 41.1 | Very low | 63.5 | Low | 182 Ų | 182 | 89.5 Ų | 89.5 | 85% | 0.85 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -133.4 | -2 | -178.8 | -74.9 | -168.6 | 150.7 | 0 | 0 | 116.4 | V227 | E225-V227 PolarHBondContact O-N 3.44Š|
| 226 | A | 42.1 | Very low | 63.7 | Low | 55 Ų | 55 | 89.3 Ų | 89.3 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | trans | -75.1 | 98.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | H228 | A226-H228 PolarHBondContact O-N 3.23Š| ||
| 227 | V | 45.6 | Very low | 64.1 | Low | 127 Ų | 127 | 91.3 Ų | 91.3 | 77% | 0.77 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -58.2 | -10 | 171.1 | -178.1 | 0 | 0 | 0 | 0 | 112 | E225 | E225-V227 PolarHBondContact O-N 3.44Š|
| 228 | H | 53.1 | Low | 65.1 | Low | 84 Ų | 84 | 93.1 Ų | 93.1 | 39% | 0.389 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -131.9 | 135.2 | -176.2 | -59.4 | -65.1 | 0 | 0 | 0 | 110.5 | W196 A226 E230 | W196-H228 HydrophobicContact CH2-CB 3.66Å; W196-H228 AromaticContact CH2-CD2 3.51Å; W196-H228 AromaticContact CH2-CG 3.35Å; W196-H228 AromaticContact CH2-ND1 3.82Å; W196-H228 AromaticContact CH2-NE2 4Å; W196-H228 HydrophobicContact CZ3-CB 3.94Å; A226-H228 PolarHBondContact O-N 3.23Å; H228-E230 PolarHBondContact O-N 3.02Å |
| 229 | I | 56.1 | Low | 66.7 | Low | 47 Ų | 47 | 87.6 Ų | 87.6 | 24% | 0.241 | 44% | 0.438 | C | S | . | . | trans | -64.7 | 106 | 169.3 | -58.8 | -176.5 | 0 | 0 | 0 | 107.1 | F233 R240 R242 | I229-F233 HydrophobicContact CG2-CB 4.08Å; I229-R240 HydrophobicContact CD1-CB 3.85Å; I229-R240 HydrophobicContact CD1-CG 3.59Å; I229-R242 HydrophobicContact CG2-CG 3.59Å | ||
| 230 | E | 68.5 | Low | 68.5 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 29% | 0.29 | 42% | 0.416 | S | S | . | . | trans | -72.7 | 138.2 | 167.8 | -63.3 | 179.1 | 162.7 | 0 | 0 | 109.2 | Y217 L221 H228 | Y217-E230 HydrophobicContact CD2-CB 4.3Å; Y217-E230 HydrophobicContact CG-CB 4.27Å; L221-E230 WeakPolarHBondContact CD1-OE2 3.47Å; H228-E230 PolarHBondContact O-N 3.02Å | ||
| 231 | G | 83.5 | Confident | 70.7 | Confident | 11 Ų | 11 | 75.9 Ų | 75.9 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | S | Bend | trans | 101.9 | -173.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A214 P215 | A214-G231 WeakPolarHBondContact CB-O 3.43Å; P215-G231 WeakPolarHBondContact O-CA 3.43Å |
| 232 | I | 91.5 | Very high | 72.8 | Confident | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -69.2 | 129.1 | 177 | -46.5 | 175.9 | 0 | 0 | 0 | 109 | R79 D211 L212 N216 R242 V243 | R79-I232 HydrophobicContact CB-CD1 3.95Å; R79-I232 HydrophobicContact CG-CD1 3.99Å; R79-I232 VanDerWaalsContact CZ-CD1 3.46Å; R79-I232 VanDerWaalsContact NH1-CD1 3.32Å; D211-I232 WeakPolarHBondContact O-CG2 3.44Å; L212-I232 HydrophobicContact CD2-CG2 3.98Å; N216-I232 WeakPolarHBondContact OD1-CD1 3.42Å; N216-I232 WeakPolarHBondContact OD1-CG1 3.34Å; I232-R242 WeakPolarHBondContact O-CA 3.37Å; I232-V243 HydrophobicContact CB-CB 3.97Å; I232-V243 HydrophobicContact CG2-CB 3.65Å; I232-V243 HydrophobicContact CG2-CG1 3.99Å; I232-V243 HydrophobicContact CG2-CG2 4.22Å; I232-V243 PolarHBondContact O-N 3.39Å |
| 233 | F | 92 | Very high | 75.1 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 158.5 | -177.6 | 73.6 | -88.2 | 0 | 0 | 0 | 112.9 | E209 G210 D211 I229 R240 V241 | E209-F233 WeakPolarHBondContact O-CE2 3.29Å; G210-F233 VanDerWaalsContact CA-O 3.24Å; G210-F233 WeakPolarHBondContact CA-O 3.3Å; D211-F233 HydrophobicContact CB-CD1 4.17Å; D211-F233 HydrophobicContact CB-CE1 3.49Å; D211-F233 VanDerWaalsContact CB-CE1 3.49Å; D211-F233 HydrophobicContact CB-CZ 3.9Å; D211-F233 PolarHBondContact N-O 2.81Å; D211-F233 PolarHBondContact O-N 3.1Å; I229-F233 HydrophobicContact CG2-CB 4.08Å; F233-R240 HydrophobicContact CB-CG 4.4Å; F233-R240 HydrophobicContact CD2-CG 3.74Å; F233-R240 HydrophobicContact CE2-CG 4.5Å; F233-R240 HydrophobicContact CG-CG 4.41Å; F233-R240 VanDerWaalsContact CG-NE 3.33Å; F233-V241 VanDerWaalsContact CA-O 3.22Å; F233-V241 WeakPolarHBondContact CA-O 3.3Å; F233-V241 WeakPolarHBondContact CB-O 3.19Å |
| 234 | W | 92.8 | Very high | 77 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 148.8 | 175.8 | -156.7 | -107.5 | 0 | 0 | 0 | 111 | I127 L129 D139 W141 S164 N168 L169 W200 E209 G210 L212 R240 V241 V243 | I127-W234 HydrophobicContact CD1-CH2 3.65Å; I127-W234 HydrophobicContact CD1-CZ2 4.01Å; I127-W234 HydrophobicContact CD1-CZ3 4.48Å; L129-W234 HydrophobicContact CD2-CB 3.63Å; L129-W234 HydrophobicContact CD2-CD2 3.81Å; L129-W234 HydrophobicContact CD2-CG 3.37Å; D139-W234 PolarHBondContact OD2-NE1 2.84Å; W141-W234 HydrophobicContact CH2-CH2 4.49Å; W141-W234 AromaticContact CH2-CZ2 3.98Å; W141-W234 HydrophobicContact CH2-CZ2 3.98Å; S164-W234 PolarHBondContact OG-NE1 3.42Å; N168-W234 HydrophobicContact CB-CD2 4.28Å; N168-W234 HydrophobicContact CB-CH2 3.73Å; N168-W234 HydrophobicContact CB-CZ2 3.27Å; N168-W234 HydrophobicContact CB-CZ3 4.4Å; N168-W234 VanDerWaalsContact CG-CE2 3.42Å; N168-W234 PolarHBondContact ND2-NE1 3.19Å; L169-W234 HydrophobicContact CD2-CH2 4.03Å; L169-W234 HydrophobicContact CG-CH2 4.1Å; W200-W234 HydrophobicContact CZ2-CZ3 4.29Å; E209-W234 CarbonylContact O-C 3.54Å; G210-W234 VanDerWaalsContact CA-CE3 3.48Å; L212-W234 HydrophobicContact CD1-CE3 4.36Å; L212-W234 HydrophobicContact CD1-CZ3 4.07Å; L212-W234 HydrophobicContact CD2-CD2 4.46Å; L212-W234 HydrophobicContact CD2-CE3 3.71Å; L212-W234 HydrophobicContact CD2-CZ3 4.18Å; L212-W234 HydrophobicContact CG-CE3 3.86Å; L212-W234 HydrophobicContact CG-CZ3 3.79Å; W234-R240 WeakPolarHBondContact O-CA 3.2Å; W234-V241 PolarHBondContact N-O 2.81Å; W234-V241 PolarHBondContact O-N 2.87Å; W234-V243 HydrophobicContact CB-CG2 3.82Å |
| 235 | R | 92.8 | Very high | 79.1 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 31% | 0.306 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119 | 171.6 | -173.3 | 178.5 | -62 | -81.5 | -1.2 | 110.5 | S164 V166 N168 E209 G239 | S164-R235 WeakPolarHBondContact CB-O 3.32Å; S164-R235 PolarHBondContact OG-O 3.45Å; V166-R235 HydrophobicContact CG2-CG 4.49Å; N168-R235 PolarHBondContact ND2-O 2.98Å; N168-R235 WeakPolarHBondContact OD1-CA 3.47Å; N168-R235 VanDerWaalsContact OD1-CB 3.25Å; N168-R235 WeakPolarHBondContact OD1-CB 3.48Å; N168-R235 PolarHBondContact OD1-N 3.36Å; N168-R235 PolarHBondContact OD1-O 3.01Å; E209-R235 HydrophobicContact CB-CB 4.27Å; E209-R235 PolarHBondContact O-N 3.05Å; E209-R235 IonicContact OE2-CZ 3.41Å; E209-R235 IonicContact OE2-NE 2.77Å; E209-R235 PolarHBondContact OE2-NE 3.15Å; E209-R235 IonicContact OE2-NH2 2.66Å; E209-R235 PolarHBondContact OE2-NH2 2.91Å; R235-G239 CarbonylContact C-O 3.58Å; R235-G239 WeakPolarHBondContact CA-O 3.34Å |
| 236 | T | 90.7 | Very high | 81.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -174 | 177.3 | 74.8 | 0 | 0 | 0 | 0 | 110.1 | H137 Y238 G239 V241 | H137-T236 VanDerWaalsContact CE1-CB 3.46Å; H137-T236 WeakPolarHBondContact CE1-CB 3.22Å; H137-T236 WeakPolarHBondContact CE1-CG2 3.42Å; H137-T236 WeakPolarHBondContact ND1-CG2 3.01Å; T236-Y238 PolarHBondContact O-N 2.99Å; T236-Y238 PolarHBondContact OG1-N 3.25Å; T236-Y238 VanDerWaalsContact OG1-N 3.1Å; T236-G239 PolarHBondContact N-O 3.18Å; T236-G239 PolarHBondContact O-N 3.45Å; T236-G239 PolarHBondContact OG1-O 3.14Å; T236-V241 HydrophobicContact CG2-CG1 4.19Å; T236-V241 HydrophobicContact CG2-CG2 3.54Å |
| 237 | K | 89.2 | Confident | 84 | Confident | 118 Ų | 118 | 47.9 Ų | 47.9 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.8 | 169.9 | 59.2 | 173.3 | 164.3 | 160.7 | 0 | 114.4 | K165 | K165-K237 HydrophobicContact CB-CB 4.33Š|
| 238 | Y | 87.8 | Confident | 86.3 | Confident | 135 Ų | 135 | 41.8 Ų | 41.8 | 53% | 0.529 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3.3 | -179.7 | -54 | -68 | 0 | 0 | 0 | 113.5 | T236 | T236-Y238 PolarHBondContact O-N 2.99Å; T236-Y238 PolarHBondContact OG1-N 3.25Å; T236-Y238 VanDerWaalsContact OG1-N 3.1Å |
| 239 | G | 90 | Very high | 88.2 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 26% | 0.258 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.6 | -163.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R235 T236 | R235-G239 CarbonylContact C-O 3.58Å; R235-G239 WeakPolarHBondContact CA-O 3.34Å; T236-G239 PolarHBondContact N-O 3.18Å; T236-G239 PolarHBondContact O-N 3.45Å; T236-G239 PolarHBondContact OG1-O 3.14Å |
| 240 | R | 90 | Very high | 89.9 | Confident | 87 Ų | 87 | 35.8 Ų | 35.8 | 33% | 0.328 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 123.2 | 176.1 | -163.1 | -175.2 | 166.9 | 161.1 | -5.2 | 107.9 | I229 F233 W234 | I229-R240 HydrophobicContact CD1-CB 3.85Å; I229-R240 HydrophobicContact CD1-CG 3.59Å; F233-R240 HydrophobicContact CB-CG 4.4Å; F233-R240 HydrophobicContact CD2-CG 3.74Å; F233-R240 HydrophobicContact CE2-CG 4.5Å; F233-R240 HydrophobicContact CG-CG 4.41Å; F233-R240 VanDerWaalsContact CG-NE 3.33Å; W234-R240 WeakPolarHBondContact O-CA 3.2Å |
| 241 | V | 89.5 | Confident | 90.7 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 12% | 0.121 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 152.1 | -177.2 | -56 | 0 | 0 | 0 | 0 | 110.6 | D131 F233 W234 T236 | D131-V241 HydrophobicContact CB-CB 3.99Å; D131-V241 HydrophobicContact CB-CG2 3.59Å; F233-V241 VanDerWaalsContact CA-O 3.22Å; F233-V241 WeakPolarHBondContact CA-O 3.3Å; F233-V241 WeakPolarHBondContact CB-O 3.19Å; W234-V241 PolarHBondContact N-O 2.81Å; W234-V241 PolarHBondContact O-N 2.87Å; T236-V241 HydrophobicContact CG2-CG1 4.19Å; T236-V241 HydrophobicContact CG2-CG2 3.54Å |
| 242 | R | 91 | Very high | 90.9 | Very high | 90 Ų | 90 | 33.3 Ų | 33.3 | 34% | 0.34 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 139.4 | 164.8 | -74.1 | 178.8 | 173.7 | 139.8 | -1.2 | 108.9 | D131 A132 D223 I229 I232 | D131-R242 CarbonylContact C-O 3.54Å; D131-R242 VanDerWaalsContact CA-O 3.32Å; D131-R242 WeakPolarHBondContact CA-O 3.47Å; A132-R242 HydrophobicContact CB-CB 4.2Å; A132-R242 PolarHBondContact N-O 3.5Å; D223-R242 IonicContact OD1-CZ 3.16Å; D223-R242 IonicContact OD1-NH1 2.7Å; D223-R242 PolarHBondContact OD1-NH1 2.9Å; D223-R242 VanDerWaalsContact OD1-NH1 3.14Å; D223-R242 IonicContact OD1-NH2 2.76Å; D223-R242 PolarHBondContact OD1-NH2 3.22Å; D223-R242 IonicContact OD2-NH1 3.57Å; I229-R242 HydrophobicContact CG2-CG 3.59Å; I232-R242 WeakPolarHBondContact O-CA 3.37Å |
| 243 | V | 91.3 | Very high | 90.4 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.3 | -179 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | L129 L212 I232 W234 A245 | L129-V243 HydrophobicContact CB-CG1 3.95Å; L129-V243 HydrophobicContact CD1-CG2 4.18Å; L129-V243 HydrophobicContact CD2-CG2 4.25Å; L212-V243 HydrophobicContact CD2-CG1 4.45Å; L212-V243 HydrophobicContact CD2-CG2 4.33Å; I232-V243 HydrophobicContact CB-CB 3.97Å; I232-V243 HydrophobicContact CG2-CB 3.65Å; I232-V243 HydrophobicContact CG2-CG1 3.99Å; I232-V243 HydrophobicContact CG2-CG2 4.22Å; I232-V243 PolarHBondContact O-N 3.39Å; W234-V243 HydrophobicContact CB-CG2 3.82Å; V243-A245 VanDerWaalsContact CG1-O 3.32Å; V243-A245 WeakPolarHBondContact CG1-O 3.09Å |
| 244 | A | 90 | Very high | 89.3 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 42% | 0.421 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -35.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I130 | I130-A244 PolarHBondContact O-N 2.79Å |
| 245 | A | 92 | Very high | 87.6 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 147.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L63 R79 L129 I130 V243 | L63-A245 HydrophobicContact CD1-CB 4.04Å; R79-A245 CarbonylContact O-C 3.58Å; R79-A245 WeakPolarHBondContact O-CA 3.06Å; L129-A245 CarbonylContact C-O 3.54Å; L129-A245 WeakPolarHBondContact CA-O 3.5Å; L129-A245 WeakPolarHBondContact CB-O 3.5Å; I130-A245 PolarHBondContact N-O 3.1Å; I130-A245 PolarHBondContact O-N 2.99Å; V243-A245 VanDerWaalsContact CG1-O 3.32Å; V243-A245 WeakPolarHBondContact CG1-O 3.09Å |
| 246 | S | 93.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 157.1 | 175.3 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | Q78 R79 E128 | Q78-S246 WeakPolarHBondContact CA-O 3.18Å; R79-S246 WeakPolarHBondContact CG-OG 3.27Å; R79-S246 PolarHBondContact N-O 2.98Å; R79-S246 PolarHBondContact O-N 2.96Å; R79-S246 VanDerWaalsContact O-O 3.04Å; E128-S246 CarbonylContact O-C 3.57Å; E128-S246 VanDerWaalsContact O-CA 3.27Å; E128-S246 WeakPolarHBondContact O-CA 3.48Å |
| 247 | R | 92.7 | Very high | 85.1 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 139.4 | 167.2 | 59 | -176.7 | -173.8 | 158.9 | 9.1 | 110.2 | D46 T49 L63 V75 Q77 I127 E128 M249 | D46-R247 IonicContact OD2-CZ 3.52Å; D46-R247 IonicContact OD2-NH1 3.64Å; D46-R247 PolarHBondContact OD2-NH1 3.43Å; D46-R247 IonicContact OD2-NH2 3.71Å; T49-R247 PolarHBondContact OG1-NH2 2.83Å; T49-R247 VanDerWaalsContact OG1-NH2 3.09Å; L63-R247 HydrophobicContact CD2-CG 3.9Å; V75-R247 HydrophobicContact CG1-CB 4.38Å; Q77-R247 VanDerWaalsContact O-CA 3.29Å; Q77-R247 WeakPolarHBondContact O-CA 3.37Å; I127-R247 WeakPolarHBondContact CA-O 3.43Å; E128-R247 HydrophobicContact CB-CG 3.98Å; E128-R247 PolarHBondContact N-O 2.81Å; E128-R247 PolarHBondContact O-N 2.73Å; E128-R247 IonicContact OE1-NH2 3.55Å; E128-R247 IonicContact OE2-CZ 3.73Å; E128-R247 IonicContact OE2-NE 2.68Å; E128-R247 PolarHBondContact OE2-NE 2.82Å; E128-R247 IonicContact OE2-NH2 3.66Å; E128-R247 PolarHBondContact OE2-NH2 3.29Å; R247-M249 HydrophobicContact CG-CE 3.95Å; R247-M249 HydrophobicContact CG-CG 4.46Å; R247-M249 HydrophobicContact CG-SD 4.14Å; R247-M249 VanDerWaalsContact CZ-SD 3.57Å |
| 248 | M | 94.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.1 | 168.9 | -55.5 | 177.2 | 64 | 0 | 0 | 108.4 | I76 Q77 W104 L125 R126 I127 W200 W201 L212 | I76-M248 HydrophobicContact CD1-CB 4.05Å; I76-M248 HydrophobicContact CD1-CE 4.35Å; I76-M248 HydrophobicContact CG1-CB 3.67Å; I76-M248 VanDerWaalsContact CG1-O 3.26Å; I76-M248 WeakPolarHBondContact CG1-O 3.19Å; I76-M248 PolarHBondContact N-O 3.14Å; Q77-M248 HydrophobicContact CB-CB 3.92Å; Q77-M248 HydrophobicContact CB-CG 3.97Å; Q77-M248 HydrophobicContact CB-SD 3.94Å; Q77-M248 HydrophobicContact CG-SD 4.31Å; Q77-M248 PolarHBondContact N-O 3.07Å; Q77-M248 PolarHBondContact O-N 3.37Å; W104-M248 HydrophobicContact CZ3-SD 4.1Å; L125-M248 HydrophobicContact CD1-CB 4.33Å; L125-M248 HydrophobicContact CD1-CE 4.06Å; L125-M248 HydrophobicContact CD2-CE 4.26Å; R126-M248 CarbonylContact O-C 3.58Å; I127-M248 HydrophobicContact CD1-CE 4.17Å; I127-M248 HydrophobicContact CD1-CG 4.37Å; I127-M248 HydrophobicContact CG1-CG 4.09Å; W200-M248 HydrophobicContact CH2-CE 3.93Å; W200-M248 HydrophobicContact CH2-SD 3.67Å; W200-M248 HydrophobicContact CZ3-CE 4.43Å; W200-M248 HydrophobicContact CZ3-SD 3.94Å; W201-M248 HydrophobicContact CZ3-CE 4.49Å; L212-M248 HydrophobicContact CD1-CG 3.91Å; L212-M248 HydrophobicContact CD1-SD 4.24Å |
| 249 | M | 92.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.1 | -172.5 | -63 | 174.6 | -67.4 | 0 | 0 | 111 | L73 Q74 V75 L125 R126 E128 R247 | L73-M249 HydrophobicContact CB-CB 4.16Å; L73-M249 HydrophobicContact CB-CG 4.46Å; L73-M249 HydrophobicContact CB-SD 4.08Å; L73-M249 HydrophobicContact CD1-CE 4.01Å; L73-M249 HydrophobicContact CD1-SD 3.75Å; L73-M249 HydrophobicContact CD2-CB 4.13Å; L73-M249 HydrophobicContact CG-SD 4.45Å; Q74-M249 CarbonylContact O-C 3.54Å; Q74-M249 VanDerWaalsContact O-CA 3.24Å; Q74-M249 WeakPolarHBondContact O-CA 3.41Å; V75-M249 HydrophobicContact CB-CG 4.33Å; V75-M249 HydrophobicContact CG1-CG 4.49Å; V75-M249 HydrophobicContact CG2-CG 3.9Å; V75-M249 HydrophobicContact CG2-SD 4.25Å; L125-M249 CarbonylContact C-O 3.59Å; L125-M249 WeakPolarHBondContact CA-O 3.43Å; R126-M249 HydrophobicContact CG-CE 4.01Å; R126-M249 PolarHBondContact N-O 2.84Å; R126-M249 PolarHBondContact O-N 3.25Å; E128-M249 HydrophobicContact CB-CE 4.42Å; E128-M249 HydrophobicContact CG-CE 3.73Å; R247-M249 HydrophobicContact CG-CE 3.95Å; R247-M249 HydrophobicContact CG-CG 4.46Å; R247-M249 HydrophobicContact CG-SD 4.14Å; R247-M249 VanDerWaalsContact CZ-SD 3.57Å |
| 250 | V | 91.3 | Very high | 84.4 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 149.2 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | Q74 I76 I113 L123 Q124 L125 F144 | Q74-V250 HydrophobicContact CB-CG2 4.14Å; Q74-V250 PolarHBondContact N-O 3.28Å; Q74-V250 PolarHBondContact O-N 2.84Å; I76-V250 HydrophobicContact CD1-CG1 3.93Å; I76-V250 HydrophobicContact CG1-CG1 4.49Å; I76-V250 HydrophobicContact CG2-CG1 4.27Å; I76-V250 HydrophobicContact CG2-CG2 3.8Å; I113-V250 HydrophobicContact CD1-CG2 3.96Å; L123-V250 HydrophobicContact CD1-CB 4.46Å; L123-V250 HydrophobicContact CD2-CB 4.3Å; Q124-V250 WeakPolarHBondContact O-CA 3.36Å; L125-V250 HydrophobicContact CD1-CG1 4.08Å; F144-V250 HydrophobicContact CD1-CG1 3.76Å; F144-V250 HydrophobicContact CE1-CG1 3.82Å |
| 251 | R | 86.6 | Confident | 84.1 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 6% | 0.06 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 157.4 | 169.9 | 63 | 170.9 | 177.1 | -162.1 | -13.1 | 112.4 | D50 R69 T72 L73 L123 Q124 | D50-R251 IonicContact OD2-CZ 3.85Å; D50-R251 IonicContact OD2-NH1 3.35Å; D50-R251 PolarHBondContact OD2-NH1 2.92Å; D50-R251 IonicContact OD2-NH2 2.83Å; D50-R251 PolarHBondContact OD2-NH2 2.76Å; R69-R251 PolarHBondContact O-NH1 2.66Å; T72-R251 WeakPolarHBondContact O-CB 3.39Å; L73-R251 HydrophobicContact CD2-CB 4.02Å; L73-R251 HydrophobicContact CD2-CG 3.97Å; L123-R251 CarbonylContact C-O 3.53Å; L123-R251 WeakPolarHBondContact CA-O 3.03Å; L123-R251 VanDerWaalsContact CD2-C 3.47Å; L123-R251 WeakPolarHBondContact CD2-O 3.02Å; Q124-R251 HydrophobicContact CB-CG 4.14Å; Q124-R251 PolarHBondContact N-O 3.5Å; Q124-R251 PolarHBondContact O-N 2.83Å; Q124-R251 VanDerWaalsContact O-N 3.08Å |
| 252 | P | 87.1 | Confident | 83.7 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 146.2 | 171.1 | -20 | 34.6 | 0 | 0 | 0 | 112.4 | C5 A121 G122 | C5-P252 HydrophobicContact CB-CG 3.9Å; A121-P252 HydrophobicContact CB-CB 4.21Å; G122-P252 WeakPolarHBondContact O-CA 3.27Å |
| 253 | L | 80.8 | Confident | 83.2 | Confident | 68 Ų | 68 | 43 Ų | 43 | 36% | 0.356 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -30.1 | 177 | -61.4 | 171.6 | 0 | 0 | 0 | 113.5 | A121 G122 Q124 I142 Y255 | A121-L253 WeakPolarHBondContact O-CB 3.4Å; G122-L253 PolarHBondContact O-N 3.38Å; G122-L253 VanDerWaalsContact O-N 3.08Å; Q124-L253 HydrophobicContact CB-CD2 3.77Å; Q124-L253 HydrophobicContact CG-CD2 4.4Å; I142-L253 HydrophobicContact CB-CD2 4.37Å; I142-L253 HydrophobicContact CG1-CD2 4.37Å; I142-L253 HydrophobicContact CG2-CD1 3.86Å; I142-L253 HydrophobicContact CG2-CD2 3.73Å; I142-L253 HydrophobicContact CG2-CG 4.48Å; L253-Y255 PolarHBondContact O-N 3.31Å |
| 254 | S | 69.5 | Low | 82.6 | Confident | 71 Ų | 71 | 45.4 Ų | 45.4 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 13.3 | -176.8 | 72.6 | 0 | 0 | 0 | 0 | 113.5 | A121 R256 | A121-S254 VanDerWaalsContact CB-OG 3.23Å; A121-S254 WeakPolarHBondContact CB-OG 2.89Å; S254-R256 PolarHBondContact O-N 3.18Å |
| 255 | Y | 56.7 | Low | 82 | Confident | 61 Ų | 61 | 44.9 Ų | 44.9 | 24% | 0.239 | 20% | 0.204 | C | C | . | . | trans | -79.7 | 100.5 | 173.5 | -160.8 | -72 | 0 | 0 | 0 | 107.8 | Q8 T70 G71 L253 | Q8-Y255 VanDerWaalsContact OE1-CZ 3.29Å; Q8-Y255 PolarHBondContact OE1-OH 2.76Å; T70-Y255 WeakPolarHBondContact O-CD1 3.14Å; T70-Y255 WeakPolarHBondContact O-CE1 3.45Å; G71-Y255 VanDerWaalsContact CA-CE1 3.44Å; L253-Y255 PolarHBondContact O-N 3.31Å | ||
| 256 | R | 46.5 | Very low | 81.1 | Confident | 281 Ų | 281 | 48 Ų | 48 | 100% | 1.06 | 21% | 0.214 | S | C | * | . | trans | -115.5 | 0 | 167 | -72.4 | -173.6 | -176 | -178.8 | 1.8 | 107.6 | S254 | S254-R256 PolarHBondContact O-N 3.18Š|
Retrieved 256 of 256 residues in 422.5 ms
(Link to these results)