| 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 | 68.9 | Low | 81.8 | Confident | 156 Ų | 156 | 84.7 Ų | 84.7 | 77% | 0.768 | 43% | 0.429 | S | S | * | . | 0 | 153.4 | 0 | -65.2 | -178.4 | -67.1 | 0 | 0 | 107.7 | I9 | M1-I9 HydrophobicContact CB-CB 4.39Å; M1-I9 HydrophobicContact CB-CD1 4.25Å; M1-I9 PolarHBondContact O-N 3.38Å | |||
| 2 | R | 76.1 | Confident | 82.5 | Confident | 130 Ų | 130 | 81.1 Ų | 81.1 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -115.5 | 150.2 | 172.5 | -67 | -175 | 179 | -119 | 8.2 | 110.5 | D6 D7 L8 | R2-D6 WeakPolarHBondContact CD-O 3.42Å; R2-D6 WeakPolarHBondContact CD-OD1 3.45Å; R2-D6 IonicContact CZ-OD2 2.97Å; R2-D6 IonicContact NE-OD1 3.67Å; R2-D6 PolarHBondContact NH1-O 2.99Å; R2-D6 IonicContact NH1-OD1 2.73Å; R2-D6 IonicContact NH1-OD2 3.28Å; R2-D6 PolarHBondContact NH1-OD2 2.6Å; R2-D7 CarbonylContact C-O 3.54Å; R2-D7 WeakPolarHBondContact CA-O 3.27Å; R2-L8 HydrophobicContact CG-CD2 3.94Å; R2-L8 HydrophobicContact CG-CG 4.41Å |
| 3 | D | 82.4 | Confident | 83 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 19% | 0.193 | 40% | 0.403 | C | S | . | . | trans | -89.3 | -173.7 | 174.4 | 73.4 | 9.8 | 0 | 0 | 0 | 111.9 | N5 D6 D7 I9 S30 | D3-N5 PolarHBondContact O-N 3.43Å; D3-N5 WeakPolarHBondContact OD1-CA 3.47Å; D3-N5 WeakPolarHBondContact OD1-CB 3.38Å; D3-N5 PolarHBondContact OD1-N 3.12Å; D3-D6 PolarHBondContact O-N 3.08Å; D3-D6 PolarHBondContact OD1-N 3.43Å; D3-D7 PolarHBondContact N-O 3.16Å; D3-D7 WeakPolarHBondContact OD1-CB 3.09Å; D3-D7 PolarHBondContact OD1-N 3.2Å; D3-I9 HydrophobicContact CB-CD1 3.89Å; D3-I9 HydrophobicContact CB-CG1 3.95Å; D3-S30 WeakPolarHBondContact OD2-CB 3.47Å; D3-S30 PolarHBondContact OD2-OG 2.7Å | ||
| 4 | D | 81 | Confident | 83.4 | Confident | 175 Ų | 175 | 90.1 Ų | 90.1 | 94% | 0.936 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.7 | -178.8 | -64.4 | -23.3 | 0 | 0 | 0 | 113.6 | D6 | D4-D6 VanDerWaalsContact C-N 3.33Š|
| 5 | N | 82.5 | Confident | 83.7 | Confident | 126 Ų | 126 | 88.6 Ų | 88.6 | 67% | 0.674 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 6.3 | 174.7 | -59.6 | -50.4 | 0 | 0 | 0 | 112.6 | D3 D7 | D3-N5 PolarHBondContact O-N 3.43Å; D3-N5 WeakPolarHBondContact OD1-CA 3.47Å; D3-N5 WeakPolarHBondContact OD1-CB 3.38Å; D3-N5 PolarHBondContact OD1-N 3.12Å; N5-D7 PolarHBondContact O-N 2.88Å |
| 6 | D | 78.9 | Confident | 83.8 | Confident | 99 Ų | 99 | 83.3 Ų | 83.3 | 53% | 0.529 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 65.2 | 14 | -170 | -157.3 | 55.6 | 0 | 0 | 0 | 113.1 | R2 D3 D4 | R2-D6 WeakPolarHBondContact CD-O 3.42Å; R2-D6 WeakPolarHBondContact CD-OD1 3.45Å; R2-D6 IonicContact CZ-OD2 2.97Å; R2-D6 IonicContact NE-OD1 3.67Å; R2-D6 PolarHBondContact NH1-O 2.99Å; R2-D6 IonicContact NH1-OD1 2.73Å; R2-D6 IonicContact NH1-OD2 3.28Å; R2-D6 PolarHBondContact NH1-OD2 2.6Å; D3-D6 PolarHBondContact O-N 3.08Å; D3-D6 PolarHBondContact OD1-N 3.43Å; D4-D6 VanDerWaalsContact C-N 3.33Å |
| 7 | D | 82.8 | Confident | 83.9 | Confident | 43 Ų | 43 | 79.5 Ų | 79.5 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 146.9 | 176.7 | -71.4 | -18.5 | 0 | 0 | 0 | 110.1 | R2 D3 N5 P32 | R2-D7 CarbonylContact C-O 3.54Å; R2-D7 WeakPolarHBondContact CA-O 3.27Å; D3-D7 PolarHBondContact N-O 3.16Å; D3-D7 WeakPolarHBondContact OD1-CB 3.09Å; D3-D7 PolarHBondContact OD1-N 3.2Å; N5-D7 PolarHBondContact O-N 2.88Å; D7-P32 WeakPolarHBondContact OD1-CA 3.49Å |
| 8 | L | 83.1 | Confident | 83.9 | Confident | 46 Ų | 46 | 78.3 Ų | 78.3 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 134.3 | 177.6 | -77.9 | 162.3 | 0 | 0 | 0 | 110.9 | R2 C31 Q34 | R2-L8 HydrophobicContact CG-CD2 3.94Å; R2-L8 HydrophobicContact CG-CG 4.41Å; L8-C31 PolarHBondContact N-O 3.22Å; L8-C31 PolarHBondContact O-N 3.41Å; L8-Q34 VanDerWaalsContact CD1-CA 3.41Å; L8-Q34 HydrophobicContact CD1-CB 3.85Å; L8-Q34 HydrophobicContact CD1-CG 3.97Å |
| 9 | I | 87.1 | Confident | 84 | Confident | 50 Ų | 50 | 82.6 Ų | 82.6 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.7 | 178.4 | -52.1 | 176.7 | 0 | 0 | 0 | 109 | M1 D3 C11 C28 | M1-I9 HydrophobicContact CB-CB 4.39Å; M1-I9 HydrophobicContact CB-CD1 4.25Å; M1-I9 PolarHBondContact O-N 3.38Å; D3-I9 HydrophobicContact CB-CD1 3.89Å; D3-I9 HydrophobicContact CB-CG1 3.95Å; I9-C11 VanDerWaalsContact CG2-SG 3.58Å; I9-C28 HydrophobicContact CG2-CB 3.62Å |
| 10 | F | 88.1 | Confident | 84 | Confident | 35 Ų | 35 | 82.7 Ų | 82.7 | 15% | 0.154 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.1 | 170.8 | -169.7 | -93.8 | 0 | 0 | 0 | 109.6 | W12 C28 V29 Y38 I47 M49 L62 | F10-W12 AromaticContact CD1-CE3 3.86Å; F10-W12 HydrophobicContact CD1-CE3 3.86Å; F10-W12 HydrophobicContact CD1-CZ3 4.18Å; F10-W12 HydrophobicContact CE1-CE3 4.18Å; F10-C28 CarbonylContact O-C 3.56Å; F10-C28 WeakPolarHBondContact O-CA 3.25Å; F10-V29 HydrophobicContact CB-CG1 4.2Å; F10-V29 PolarHBondContact N-O 3.3Å; F10-V29 PolarHBondContact O-N 3.33Å; F10-Y38 AromaticContact CE2-CD1 3.98Å; F10-Y38 HydrophobicContact CE2-CD1 3.98Å; F10-Y38 HydrophobicContact CE2-CD2 4.43Å; F10-Y38 HydrophobicContact CE2-CE1 4.18Å; F10-Y38 HydrophobicContact CE2-CG 4.12Å; F10-Y38 HydrophobicContact CZ-CD1 4.49Å; F10-Y38 HydrophobicContact CZ-CD2 4.14Å; F10-Y38 HydrophobicContact CZ-CE2 4.33Å; F10-Y38 HydrophobicContact CZ-CG 4.23Å; F10-I47 HydrophobicContact CE1-CD1 4.41Å; F10-M49 HydrophobicContact CB-CE 4.09Å; F10-M49 HydrophobicContact CD1-CE 4.26Å; F10-M49 HydrophobicContact CD1-SD 4.48Å; F10-M49 HydrophobicContact CD2-CE 3.61Å; F10-M49 HydrophobicContact CE2-CE 4.06Å; F10-M49 HydrophobicContact CG-CE 3.72Å; F10-L62 HydrophobicContact CD1-CD2 3.46Å; F10-L62 VanDerWaalsContact CD1-CD2 3.46Å; F10-L62 HydrophobicContact CE1-CD2 3.5Å; F10-L62 VanDerWaalsContact CE1-CD2 3.5Å |
| 11 | C | 89.3 | Confident | 83.7 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 24% | 0.243 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146.5 | -177 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | I9 M26 T27 C28 | I9-C11 VanDerWaalsContact CG2-SG 3.58Å; C11-M26 HydrophobicContact CB-CG 3.89Å; C11-M26 HydrophobicContact CB-SD 4.05Å; C11-T27 CarbonylContact C-O 3.56Å; C11-T27 WeakPolarHBondContact CA-O 3.47Å; C11-C28 HydrophobicContact CB-CB 4.12Å; C11-C28 WeakPolarHBondContact CB-SG 3.21Å; C11-C28 WeakPolarHBondContact SG-CB 3.34Å; C11-C28 CovalentContact SG-SG 2.05Å; C11-C28 PolarHBondContact SG-SG 2.98Å |
| 12 | W | 90.1 | Very high | 84.5 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 16% | 0.155 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 161.3 | 173.9 | 64.7 | 97.6 | 0 | 0 | 0 | 110.6 | F10 T27 V29 L62 P64 P69 | F10-W12 AromaticContact CD1-CE3 3.86Å; F10-W12 HydrophobicContact CD1-CE3 3.86Å; F10-W12 HydrophobicContact CD1-CZ3 4.18Å; F10-W12 HydrophobicContact CE1-CE3 4.18Å; W12-T27 HydrophobicContact CH2-CG2 3.86Å; W12-T27 HydrophobicContact CZ2-CG2 3.38Å; W12-T27 PolarHBondContact N-O 3.19Å; W12-T27 PolarHBondContact O-N 3.13Å; W12-V29 HydrophobicContact CH2-CB 4.29Å; W12-V29 HydrophobicContact CH2-CG1 4.4Å; W12-V29 HydrophobicContact CZ3-CB 4.18Å; W12-V29 HydrophobicContact CZ3-CG1 3.95Å; W12-L62 HydrophobicContact CE3-CD2 4.13Å; W12-L62 HydrophobicContact CH2-CD1 3.97Å; W12-L62 HydrophobicContact CH2-CD2 4.43Å; W12-L62 HydrophobicContact CZ3-CD1 4.15Å; W12-L62 HydrophobicContact CZ3-CD2 3.91Å; W12-P64 HydrophobicContact CD2-CB 4.08Å; W12-P64 VanDerWaalsContact CE2-CB 3.44Å; W12-P64 HydrophobicContact CG-CB 4.39Å; W12-P64 HydrophobicContact CZ2-CB 3.7Å; W12-P64 PolarHBondContact NE1-O 3.1Å; W12-P69 HydrophobicContact CH2-CB 3.52Å; W12-P69 HydrophobicContact CH2-CG 3.87Å; W12-P69 HydrophobicContact CZ2-CB 3.52Å; W12-P69 HydrophobicContact CZ2-CG 3.54Å |
| 13 | R | 89.4 | Confident | 85 | Confident | 97 Ų | 97 | 77.3 Ų | 77.3 | 37% | 0.366 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 156.1 | 174.9 | 64.5 | -175.3 | 179.4 | 172.8 | 0.7 | 110.3 | L15 Y23 D25 | R13-L15 PolarHBondContact O-N 3.2Å; R13-Y23 VanDerWaalsContact NE-CD1 3.32Å; R13-Y23 VanDerWaalsContact NH2-CE1 3.28Å; R13-D25 WeakPolarHBondContact CB-O 3.22Å |
| 14 | R | 87.8 | Confident | 85.2 | Confident | 191 Ų | 191 | 77 Ų | 77 | 72% | 0.721 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 129.7 | 172 | -172.5 | 173.5 | 176.7 | 173 | -1.4 | 109.7 | G24 | R14-G24 PolarHBondContact O-N 3.09Š|
| 15 | L | 88.2 | Confident | 85.7 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 154.4 | 175 | -62.7 | -176.9 | 0 | 0 | 0 | 111.5 | R13 Y23 L300 L313 | R13-L15 PolarHBondContact O-N 3.2Å; L15-Y23 HydrophobicContact CD2-CE1 4.23Å; L15-L300 HydrophobicContact CB-CD2 4.04Å; L15-L300 HydrophobicContact CD1-CD2 4.1Å; L15-L313 HydrophobicContact CD1-CD1 4.29Å; L15-L313 HydrophobicContact CD2-CD1 4.49Å; L15-L313 HydrophobicContact CD2-CD2 4Å |
| 16 | P | 85.3 | Confident | 86.1 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.019 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -56 | 160 | 172.1 | -26.8 | 36.8 | 0 | 0 | 0 | 113.7 | N20 Y23 I311 | P16-N20 WeakPolarHBondContact CA-O 3.31Å; P16-Y23 HydrophobicContact CG-CD1 4.07Å; P16-Y23 HydrophobicContact CG-CD2 4.29Å; P16-Y23 HydrophobicContact CG-CE1 3.9Å; P16-Y23 HydrophobicContact CG-CE2 4.12Å; P16-Y23 HydrophobicContact CG-CG 4.26Å; P16-I311 HydrophobicContact CB-CD1 3.79Å; P16-I311 HydrophobicContact CB-CG2 4.2Å; P16-I311 HydrophobicContact CG-CG2 4.15Å |
| 17 | T | 85.6 | Confident | 86.7 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | trans | -132.6 | 171.9 | -179.4 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | E19 N20 | T17-E19 VanDerWaalsContact C-N 3.26Å; T17-E19 PolarHBondContact O-N 2.79Å; T17-N20 PolarHBondContact N-O 3.48Å; T17-N20 CarbonylContact O-C 3.33Å; T17-N20 PolarHBondContact O-N 3.39Å; T17-N20 VanDerWaalsContact O-O 3.05Å; T17-N20 PolarHBondContact OG1-N 3.2Å; T17-N20 VanDerWaalsContact OG1-N 3.1Å; T17-N20 PolarHBondContact OG1-O 2.69Å | ||
| 18 | F | 83.5 | Confident | 87.2 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 25% | 0.254 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -57.6 | -40.4 | 173.4 | -86.9 | -76 | 0 | 0 | 0 | 112.4 | L302 S304 R307 M309 | F18-L302 HydrophobicContact CD2-CB 3.88Å; F18-L302 HydrophobicContact CD2-CD1 4.09Å; F18-L302 HydrophobicContact CE2-CB 3.22Å; F18-L302 HydrophobicContact CE2-CD1 4.28Å; F18-L302 HydrophobicContact CE2-CG 4.35Å; F18-L302 HydrophobicContact CZ-CB 3.64Å; F18-L302 WeakPolarHBondContact CZ-O 3.36Å; F18-S304 VanDerWaalsContact CE2-CB 3.43Å; F18-R307 HydrophobicContact CE1-CB 4.22Å; F18-R307 WeakPolarHBondContact CZ-O 3.37Å; F18-M309 HydrophobicContact CD1-CE 3.45Å; F18-M309 VanDerWaalsContact CD1-CE 3.45Å; F18-M309 HydrophobicContact CD1-CG 3.97Å; F18-M309 HydrophobicContact CD1-SD 3.48Å; F18-M309 WeakPolarHBondContact CD1-SD 3.36Å; F18-M309 HydrophobicContact CE1-CB 3.98Å; F18-M309 HydrophobicContact CE1-CE 3.64Å; F18-M309 HydrophobicContact CE1-CG 3.38Å; F18-M309 HydrophobicContact CE1-SD 3.58Å; F18-M309 VanDerWaalsContact CE1-SD 3.58Å; F18-M309 HydrophobicContact CE2-CG 4.39Å; F18-M309 HydrophobicContact CG-CE 4.42Å; F18-M309 HydrophobicContact CG-SD 4.02Å; F18-M309 HydrophobicContact CZ-CB 4.38Å; F18-M309 HydrophobicContact CZ-CG 3.61Å; F18-M309 HydrophobicContact CZ-SD 4.19Å |
| 19 | E | 85.9 | Confident | 87.6 | Confident | 160 Ų | 160 | 73.2 Ų | 73.2 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -84 | -24.1 | -176.1 | -54.7 | 81.8 | -173.3 | 0 | 0 | 112.8 | T17 | T17-E19 VanDerWaalsContact C-N 3.26Å; T17-E19 PolarHBondContact O-N 2.79Å |
| 20 | N | 84.6 | Confident | 87.7 | Confident | 83 Ų | 83 | 73.2 Ų | 73.2 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | trans | -138.1 | 110.8 | -179.3 | -176.2 | 9.1 | 0 | 0 | 0 | 111.6 | P16 T17 S22 | P16-N20 WeakPolarHBondContact CA-O 3.31Å; T17-N20 PolarHBondContact N-O 3.48Å; T17-N20 CarbonylContact O-C 3.33Å; T17-N20 PolarHBondContact O-N 3.39Å; T17-N20 VanDerWaalsContact O-O 3.05Å; T17-N20 PolarHBondContact OG1-N 3.2Å; T17-N20 VanDerWaalsContact OG1-N 3.1Å; T17-N20 PolarHBondContact OG1-O 2.69Å; N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 PolarHBondContact ND2-OG 2.69Å; N20-S22 VanDerWaalsContact ND2-OG 3.16Å; N20-S22 PolarHBondContact O-N 3.36Å; N20-S22 WeakPolarHBondContact OD1-CB 3.46Å; N20-S22 PolarHBondContact OD1-N 2.76Å; N20-S22 PolarHBondContact OD1-OG 3.38Å | ||
| 21 | N | 76.8 | Confident | 87.8 | Confident | 121 Ų | 121 | 71.6 Ų | 71.6 | 65% | 0.647 | 37% | 0.369 | S | S | * | . | trans | -85.3 | 4.9 | -179.7 | -160.9 | 20.7 | 0 | 0 | 0 | 113.9 | ||||
| 22 | S | 85.3 | Confident | 87.6 | Confident | 65 Ų | 65 | 73.1 Ų | 73.1 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -87.3 | 141.9 | 176.5 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | N20 | N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 PolarHBondContact ND2-OG 2.69Å; N20-S22 VanDerWaalsContact ND2-OG 3.16Å; N20-S22 PolarHBondContact O-N 3.36Å; N20-S22 WeakPolarHBondContact OD1-CB 3.46Å; N20-S22 PolarHBondContact OD1-N 2.76Å; N20-S22 PolarHBondContact OD1-OG 3.38Å |
| 23 | Y | 86.7 | Confident | 87.4 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 28% | 0.275 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 141.9 | 163.5 | -70.7 | -83.5 | 0 | 0 | 0 | 109.8 | R13 L15 P16 F312 L313 | R13-Y23 VanDerWaalsContact NE-CD1 3.32Å; R13-Y23 VanDerWaalsContact NH2-CE1 3.28Å; L15-Y23 HydrophobicContact CD2-CE1 4.23Å; P16-Y23 HydrophobicContact CG-CD1 4.07Å; P16-Y23 HydrophobicContact CG-CD2 4.29Å; P16-Y23 HydrophobicContact CG-CE1 3.9Å; P16-Y23 HydrophobicContact CG-CE2 4.12Å; P16-Y23 HydrophobicContact CG-CG 4.26Å; Y23-F312 PolarHBondContact OH-O 2.83Å; Y23-L313 HydrophobicContact CE1-CD2 4.25Å; Y23-L313 WeakPolarHBondContact OH-CA 3.21Å |
| 24 | G | 88 | Confident | 87 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 164.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R14 | R14-G24 PolarHBondContact O-N 3.09Š|
| 25 | D | 90.1 | Very high | 86.8 | Confident | 150 Ų | 150 | 67 Ų | 67 | 80% | 0.802 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 147.1 | 172.8 | -63.6 | -37.4 | 0 | 0 | 0 | 110.8 | R13 | R13-D25 WeakPolarHBondContact CB-O 3.22Š|
| 26 | M | 91.4 | Very high | 86.5 | Confident | 117 Ų | 117 | 72 Ų | 72 | 58% | 0.576 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.4 | 177.6 | -170 | 140.9 | 57.7 | 0 | 0 | 109.6 | C11 | C11-M26 HydrophobicContact CB-CG 3.89Å; C11-M26 HydrophobicContact CB-SD 4.05Å |
| 27 | T | 92.6 | Very high | 86.6 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 32% | 0.319 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139 | 176.1 | -53.7 | 0 | 0 | 0 | 0 | 108.3 | C11 W12 P69 | C11-T27 CarbonylContact C-O 3.56Å; C11-T27 WeakPolarHBondContact CA-O 3.47Å; W12-T27 HydrophobicContact CH2-CG2 3.86Å; W12-T27 HydrophobicContact CZ2-CG2 3.38Å; W12-T27 PolarHBondContact N-O 3.19Å; W12-T27 PolarHBondContact O-N 3.13Å; T27-P69 HydrophobicContact CG2-CG 3.51Å |
| 28 | C | 91.4 | Very high | 86.9 | Confident | 64 Ų | 64 | 79.7 Ų | 79.7 | 43% | 0.432 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154.8 | -178 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | I9 F10 C11 | I9-C28 HydrophobicContact CG2-CB 3.62Å; F10-C28 CarbonylContact O-C 3.56Å; F10-C28 WeakPolarHBondContact O-CA 3.25Å; C11-C28 HydrophobicContact CB-CB 4.12Å; C11-C28 WeakPolarHBondContact CB-SG 3.21Å; C11-C28 WeakPolarHBondContact SG-CB 3.34Å; C11-C28 CovalentContact SG-SG 2.05Å; C11-C28 PolarHBondContact SG-SG 2.98Å |
| 29 | V | 91.6 | Very high | 87.2 | Confident | 27 Ų | 27 | 79.7 Ų | 79.7 | 16% | 0.164 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143.4 | 171.4 | 74.5 | 0 | 0 | 0 | 0 | 109.5 | F10 W12 L62 L71 | F10-V29 HydrophobicContact CB-CG1 4.2Å; F10-V29 PolarHBondContact N-O 3.3Å; F10-V29 PolarHBondContact O-N 3.33Å; W12-V29 HydrophobicContact CH2-CB 4.29Å; W12-V29 HydrophobicContact CH2-CG1 4.4Å; W12-V29 HydrophobicContact CZ3-CB 4.18Å; W12-V29 HydrophobicContact CZ3-CG1 3.95Å; V29-L62 HydrophobicContact CG1-CD1 3.97Å; V29-L71 HydrophobicContact CG1-CB 4.36Å; V29-L71 HydrophobicContact CG1-CD2 4.23Å; V29-L71 HydrophobicContact CG2-CB 3.86Å; V29-L71 HydrophobicContact CG2-CD2 4.41Å |
| 30 | S | 91 | Very high | 87.4 | Confident | 50 Ų | 50 | 77.4 Ų | 77.4 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.7 | 172.1 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | D3 L71 | D3-S30 WeakPolarHBondContact OD2-CB 3.47Å; D3-S30 PolarHBondContact OD2-OG 2.7Å; S30-L71 WeakPolarHBondContact O-CD2 3.26Å |
| 31 | C | 88.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123.3 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | L8 D33 I35 L71 | L8-C31 PolarHBondContact N-O 3.22Å; L8-C31 PolarHBondContact O-N 3.41Å; C31-D33 PolarHBondContact O-N 3.16Å; C31-D33 VanDerWaalsContact O-N 3.13Å; C31-I35 VanDerWaalsContact SG-CD1 3.56Å; C31-L71 HydrophobicContact CB-CD2 3.85Å |
| 32 | P | 86.9 | Confident | 88.2 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -73.8 | -2.8 | -177.6 | 31.7 | -37 | 0 | 0 | 0 | 113.5 | D7 W60 | D7-P32 WeakPolarHBondContact OD1-CA 3.49Å; P32-W60 HydrophobicContact CG-CH2 3.61Å; P32-W60 HydrophobicContact CG-CZ2 3.78Å |
| 33 | D | 85.1 | Confident | 88.3 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.112 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -114.1 | 148.8 | -179 | -76 | -47.2 | 0 | 0 | 0 | 112.2 | C31 I35 A51 R58 W60 | C31-D33 PolarHBondContact O-N 3.16Å; C31-D33 VanDerWaalsContact O-N 3.13Å; D33-I35 PolarHBondContact O-N 3.45Å; D33-I35 VanDerWaalsContact O-N 3.07Å; D33-A51 HydrophobicContact CB-CB 3.52Å; D33-R58 IonicContact OD1-CZ 2.74Å; D33-R58 IonicContact OD1-NE 3.29Å; D33-R58 IonicContact OD1-NH1 3.16Å; D33-R58 PolarHBondContact OD1-NH1 3.42Å; D33-R58 WeakPolarHBondContact OD2-CD 3.17Å; D33-R58 IonicContact OD2-NE 3.77Å; D33-R58 IonicContact OD2-NH1 2.75Å; D33-R58 PolarHBondContact OD2-NH1 2.94Å; D33-W60 VanDerWaalsContact OD2-CE2 3.24Å; D33-W60 WeakPolarHBondContact OD2-CZ2 3.17Å; D33-W60 PolarHBondContact OD2-NE1 3.45Å |
| 34 | Q | 80.4 | Confident | 88.1 | Confident | 143 Ų | 143 | 71.9 Ų | 71.9 | 67% | 0.668 | 37% | 0.367 | S | S | * | . | trans | -70.6 | 102.7 | 162.5 | -169.4 | 173.5 | -1.8 | 0 | 0 | 110.6 | L8 W36 A51 | L8-Q34 VanDerWaalsContact CD1-CA 3.41Å; L8-Q34 HydrophobicContact CD1-CB 3.85Å; L8-Q34 HydrophobicContact CD1-CG 3.97Å; Q34-W36 PolarHBondContact O-N 3.13Å; Q34-A51 WeakPolarHBondContact O-CA 3.31Å; Q34-A51 VanDerWaalsContact O-CB 3.24Å; Q34-A51 WeakPolarHBondContact O-CB 3.25Å | ||
| 35 | I | 84.9 | Confident | 88.2 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 20% | 0.195 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 119.7 | 174.1 | -56.4 | -58.1 | 0 | 0 | 0 | 108.4 | C31 D33 D37 M49 A51 | C31-I35 VanDerWaalsContact SG-CD1 3.56Å; D33-I35 PolarHBondContact O-N 3.45Å; D33-I35 VanDerWaalsContact O-N 3.07Å; I35-D37 VanDerWaalsContact CG2-O 3.31Å; I35-D37 WeakPolarHBondContact CG2-O 3.28Å; I35-M49 HydrophobicContact CB-CE 4.43Å; I35-M49 HydrophobicContact CD1-CB 4.02Å; I35-M49 HydrophobicContact CD1-CE 3.9Å; I35-M49 HydrophobicContact CG1-CE 3.59Å; I35-M49 HydrophobicContact CG2-CB 4.14Å; I35-M49 HydrophobicContact CG2-CE 4.19Å; I35-A51 HydrophobicContact CD1-CB 4.42Å |
| 36 | W | 82.1 | Confident | 88.3 | Confident | 172 Ų | 172 | 71.7 Ų | 71.7 | 65% | 0.652 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | -40.1 | 175.6 | -175.9 | -91.1 | 0 | 0 | 0 | 110.3 | Q34 Y50 K52 | Q34-W36 PolarHBondContact O-N 3.13Å; W36-Y50 HydrophobicContact CB-CD2 4.14Å; W36-Y50 HydrophobicContact CB-CE2 3.9Å; W36-Y50 AromaticContact CD1-CE2 3.45Å; W36-Y50 VanDerWaalsContact CD1-CE2 3.45Å; W36-Y50 AromaticContact CD1-CZ 3.73Å; W36-Y50 AromaticContact CG-CE2 3.96Å; W36-Y50 HydrophobicContact CG-CE2 3.96Å; W36-Y50 PolarHBondContact N-O 3.25Å; W36-K52 HydrophobicContact CB-CB 4.24Å; W36-K52 HydrophobicContact CG-CB 4.32Å |
| 37 | D | 87.1 | Confident | 88.4 | Confident | 61 Ų | 61 | 66.3 Ų | 66.3 | 33% | 0.326 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 162.9 | -174.8 | -177.8 | 21.1 | 0 | 0 | 0 | 110.7 | I35 Y50 | I35-D37 VanDerWaalsContact CG2-O 3.31Å; I35-D37 WeakPolarHBondContact CG2-O 3.28Å; D37-Y50 HydrophobicContact CB-CD1 4.23Å; D37-Y50 HydrophobicContact CB-CE1 3.44Å; D37-Y50 VanDerWaalsContact CB-CE1 3.44Å; D37-Y50 HydrophobicContact CB-CE2 4.25Å; D37-Y50 VanDerWaalsContact CB-CZ 3.43Å; D37-Y50 VanDerWaalsContact CB-OH 3.29Å; D37-Y50 WeakPolarHBondContact CB-OH 3.46Å; D37-Y50 PolarHBondContact N-O 2.84Å; D37-Y50 PolarHBondContact O-N 3.11Å; D37-Y50 WeakPolarHBondContact OD2-CE1 3.36Å; D37-Y50 PolarHBondContact OD2-OH 3.08Å |
| 38 | Y | 90.8 | Very high | 88.5 | Confident | 123 Ų | 123 | 63.9 Ų | 63.9 | 48% | 0.482 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 147.3 | -176.3 | 64.2 | -87.2 | 0 | 0 | 0 | 112 | F10 I47 I48 | F10-Y38 AromaticContact CE2-CD1 3.98Å; F10-Y38 HydrophobicContact CE2-CD1 3.98Å; F10-Y38 HydrophobicContact CE2-CD2 4.43Å; F10-Y38 HydrophobicContact CE2-CE1 4.18Å; F10-Y38 HydrophobicContact CE2-CG 4.12Å; F10-Y38 HydrophobicContact CZ-CD1 4.49Å; F10-Y38 HydrophobicContact CZ-CD2 4.14Å; F10-Y38 HydrophobicContact CZ-CE2 4.33Å; F10-Y38 HydrophobicContact CZ-CG 4.23Å; Y38-I47 HydrophobicContact CD2-CG2 4.24Å; Y38-I48 CarbonylContact C-O 3.57Å; Y38-I48 VanDerWaalsContact CA-O 3.22Å; Y38-I48 WeakPolarHBondContact CA-O 3.49Å |
| 39 | L | 90.4 | Very high | 88.5 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142.9 | -176.4 | -59.5 | 162.3 | 0 | 0 | 0 | 110.7 | I47 I48 L85 L87 | L39-I47 CarbonylContact O-C 3.55Å; L39-I47 WeakPolarHBondContact O-CA 3.29Å; L39-I48 HydrophobicContact CB-CG2 3.89Å; L39-I48 PolarHBondContact N-O 3.33Å; L39-I48 WeakPolarHBondContact O-CG2 3.26Å; L39-I48 PolarHBondContact O-N 3.48Å; L39-L85 HydrophobicContact CD1-CD2 3.58Å; L39-L87 HydrophobicContact CB-CD1 3.89Å; L39-L87 HydrophobicContact CD1-CD1 4.36Å; L39-L87 HydrophobicContact CD1-CG 4.36Å |
| 40 | W | 90 | Very high | 88.4 | Confident | 113 Ų | 113 | 61 Ų | 61 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 131.4 | 168.2 | -78.1 | 92.6 | 0 | 0 | 0 | 110.3 | I47 P64 F65 L87 | W40-I47 HydrophobicContact CD2-CD1 4.32Å; W40-I47 HydrophobicContact CD2-CG1 3.72Å; W40-I47 HydrophobicContact CE3-CG1 3.75Å; W40-I47 HydrophobicContact CG-CG1 4.36Å; W40-I47 HydrophobicContact CH2-CD1 3.9Å; W40-I47 HydrophobicContact CH2-CG1 3.98Å; W40-I47 HydrophobicContact CZ2-CD1 3.65Å; W40-I47 HydrophobicContact CZ2-CG1 3.94Å; W40-I47 HydrophobicContact CZ3-CD1 4.32Å; W40-I47 HydrophobicContact CZ3-CG1 3.87Å; W40-P64 HydrophobicContact CH2-CG 3.81Å; W40-P64 HydrophobicContact CZ3-CG 4.1Å; W40-F65 AromaticContact CH2-CE2 3.82Å; W40-F65 HydrophobicContact CH2-CE2 3.82Å; W40-F65 AromaticContact CH2-CZ 3.94Å; W40-F65 HydrophobicContact CH2-CZ 3.94Å; W40-F65 AromaticContact CZ3-CE2 3.83Å; W40-F65 HydrophobicContact CZ3-CE2 3.83Å; W40-F65 HydrophobicContact CZ3-CZ 4.38Å; W40-L87 WeakPolarHBondContact O-CD1 3.37Å |
| 41 | L | 91.5 | Very high | 88 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | trans | -70.8 | 155.6 | 167.6 | -62.1 | -170.4 | 0 | 0 | 0 | 110.4 | D43 N44 S46 I48 L61 L87 V95 V114 | L41-D43 PolarHBondContact O-N 3.15Å; L41-D43 VanDerWaalsContact O-N 3.09Å; L41-N44 PolarHBondContact O-N 3.46Å; L41-S46 PolarHBondContact N-O 2.88Å; L41-I48 HydrophobicContact CD2-CB 4.05Å; L41-I48 HydrophobicContact CD2-CG2 3.85Å; L41-L61 HydrophobicContact CD1-CD1 3.93Å; L41-L87 HydrophobicContact CD2-CD2 3.72Å; L41-V95 HydrophobicContact CD2-CG1 4.07Å; L41-V114 HydrophobicContact CD1-CG1 4.44Å; L41-V114 HydrophobicContact CD1-CG2 3.75Å | ||
| 42 | H | 87.4 | Confident | 87.3 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -2.4 | -180 | -70.5 | -62.5 | 0 | 0 | 0 | 114.1 | N44 S88 I89 P92 | H42-N44 PolarHBondContact O-N 3.07Å; H42-S88 PolarHBondContact CD2-O 3.19Å; H42-I89 HydrophobicContact CB-CG2 4.43Å; H42-I89 PolarHBondContact CD2-N 2.88Å; H42-I89 VanDerWaalsContact CD2-N 3.3Å; H42-I89 WeakPolarHBondContact CE1-CG2 3.4Å; H42-I89 WeakPolarHBondContact ND1-CG2 3.4Å; H42-I89 WeakPolarHBondContact NE2-CG2 3.11Å; H42-P92 HydrophobicContact CB-CB 4.33Å |
| 43 | D | 85.8 | Confident | 86.3 | Confident | 43 Ų | 43 | 61.8 Ų | 61.8 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.9 | 167 | 68.5 | 6.9 | 0 | 0 | 0 | 113 | L41 R45 S46 | L41-D43 PolarHBondContact O-N 3.15Å; L41-D43 VanDerWaalsContact O-N 3.09Å; D43-R45 PolarHBondContact O-N 3.21Å; D43-R45 PolarHBondContact OD1-N 3.13Å; D43-S46 PolarHBondContact OD1-N 3.5Å; D43-S46 WeakPolarHBondContact OD2-CB 3.42Å; D43-S46 PolarHBondContact OD2-OG 3.44Å |
| 44 | N | 83.8 | Confident | 85 | Confident | 114 Ų | 114 | 69.1 Ų | 69.1 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 56.2 | 25.2 | -175.5 | -56.3 | -62.1 | 0 | 0 | 0 | 113.9 | L41 H42 | L41-N44 PolarHBondContact O-N 3.46Å; H42-N44 PolarHBondContact O-N 3.07Å |
| 45 | R | 88.9 | Confident | 84.6 | Confident | 172 Ų | 172 | 66.7 Ų | 66.7 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -127.9 | -37.6 | -177.3 | -71.8 | -177.8 | 177.1 | -165.6 | -1.5 | 112.1 | D43 P64 F65 | D43-R45 PolarHBondContact O-N 3.21Å; D43-R45 PolarHBondContact OD1-N 3.13Å; R45-P64 WeakPolarHBondContact O-CD 3.19Å; R45-P64 WeakPolarHBondContact O-CG 3.38Å; R45-F65 WeakPolarHBondContact O-CD2 3.37Å |
| 46 | S | 93.1 | Very high | 84.5 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | trans | -109.9 | 148.1 | -170.3 | -38 | 0 | 0 | 0 | 0 | 111.2 | L41 D43 L62 E63 | L41-S46 PolarHBondContact N-O 2.88Å; D43-S46 PolarHBondContact OD1-N 3.5Å; D43-S46 WeakPolarHBondContact OD2-CB 3.42Å; D43-S46 PolarHBondContact OD2-OG 3.44Å; S46-L62 WeakPolarHBondContact CA-O 3.44Å; S46-E63 PolarHBondContact OG-OE1 3.11Å; S46-E63 PolarHBondContact OG-OE2 3.14Å | ||
| 47 | I | 93.8 | Very high | 84.7 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.2 | 173.8 | -59.1 | 168.9 | 0 | 0 | 0 | 107.7 | F10 Y38 L39 W40 M49 L62 P64 | F10-I47 HydrophobicContact CE1-CD1 4.41Å; Y38-I47 HydrophobicContact CD2-CG2 4.24Å; L39-I47 CarbonylContact O-C 3.55Å; L39-I47 WeakPolarHBondContact O-CA 3.29Å; W40-I47 HydrophobicContact CD2-CD1 4.32Å; W40-I47 HydrophobicContact CD2-CG1 3.72Å; W40-I47 HydrophobicContact CE3-CG1 3.75Å; W40-I47 HydrophobicContact CG-CG1 4.36Å; W40-I47 HydrophobicContact CH2-CD1 3.9Å; W40-I47 HydrophobicContact CH2-CG1 3.98Å; W40-I47 HydrophobicContact CZ2-CD1 3.65Å; W40-I47 HydrophobicContact CZ2-CG1 3.94Å; W40-I47 HydrophobicContact CZ3-CD1 4.32Å; W40-I47 HydrophobicContact CZ3-CG1 3.87Å; I47-M49 HydrophobicContact CG2-CG 3.85Å; I47-L62 HydrophobicContact CB-CB 4.18Å; I47-L62 HydrophobicContact CD1-CD2 4.14Å; I47-L62 PolarHBondContact N-O 3.11Å; I47-L62 PolarHBondContact O-N 2.76Å; I47-P64 HydrophobicContact CD1-CG 4.13Å; I47-P64 HydrophobicContact CG1-CG 4.43Å |
| 48 | I | 93.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.4 | 167.9 | -169.5 | 164.3 | 0 | 0 | 0 | 108.6 | Y38 L39 L41 I59 W60 L85 L87 V95 V114 | Y38-I48 CarbonylContact C-O 3.57Å; Y38-I48 VanDerWaalsContact CA-O 3.22Å; Y38-I48 WeakPolarHBondContact CA-O 3.49Å; L39-I48 HydrophobicContact CB-CG2 3.89Å; L39-I48 PolarHBondContact N-O 3.33Å; L39-I48 WeakPolarHBondContact O-CG2 3.26Å; L39-I48 PolarHBondContact O-N 3.48Å; L41-I48 HydrophobicContact CD2-CB 4.05Å; L41-I48 HydrophobicContact CD2-CG2 3.85Å; I48-I59 HydrophobicContact CD1-CG2 3.63Å; I48-I59 HydrophobicContact CG1-CG2 3.63Å; I48-W60 WeakPolarHBondContact CA-O 3.49Å; I48-L85 HydrophobicContact CD1-CD1 3.99Å; I48-L87 HydrophobicContact CG2-CD2 4.33Å; I48-V95 HydrophobicContact CD1-CB 4.37Å; I48-V95 HydrophobicContact CD1-CG1 3.84Å; I48-V95 HydrophobicContact CD1-CG2 3.86Å; I48-V114 HydrophobicContact CD1-CG1 4.11Å |
| 49 | M | 92.3 | Very high | 85 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 137.3 | 179.9 | -54.4 | 166.8 | 60 | 0 | 0 | 107.4 | F10 I35 I47 I59 W60 L62 L71 | F10-M49 HydrophobicContact CB-CE 4.09Å; F10-M49 HydrophobicContact CD1-CE 4.26Å; F10-M49 HydrophobicContact CD1-SD 4.48Å; F10-M49 HydrophobicContact CD2-CE 3.61Å; F10-M49 HydrophobicContact CE2-CE 4.06Å; F10-M49 HydrophobicContact CG-CE 3.72Å; I35-M49 HydrophobicContact CB-CE 4.43Å; I35-M49 HydrophobicContact CD1-CB 4.02Å; I35-M49 HydrophobicContact CD1-CE 3.9Å; I35-M49 HydrophobicContact CG1-CE 3.59Å; I35-M49 HydrophobicContact CG2-CB 4.14Å; I35-M49 HydrophobicContact CG2-CE 4.19Å; I47-M49 HydrophobicContact CG2-CG 3.85Å; M49-I59 WeakPolarHBondContact O-CA 3.41Å; M49-W60 HydrophobicContact CB-CB 4.24Å; M49-W60 PolarHBondContact N-O 2.97Å; M49-W60 PolarHBondContact O-N 3.32Å; M49-L62 HydrophobicContact SD-CB 3.72Å; M49-L62 HydrophobicContact SD-CD2 3.86Å; M49-L62 HydrophobicContact SD-CG 4.43Å; M49-L71 HydrophobicContact SD-CD1 3.97Å |
| 50 | Y | 89.5 | Confident | 85.2 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 140.7 | 175.4 | 71.1 | -91.6 | 0 | 0 | 0 | 112.2 | W36 D37 R58 M82 L85 | W36-Y50 HydrophobicContact CB-CD2 4.14Å; W36-Y50 HydrophobicContact CB-CE2 3.9Å; W36-Y50 AromaticContact CD1-CE2 3.45Å; W36-Y50 VanDerWaalsContact CD1-CE2 3.45Å; W36-Y50 AromaticContact CD1-CZ 3.73Å; W36-Y50 AromaticContact CG-CE2 3.96Å; W36-Y50 HydrophobicContact CG-CE2 3.96Å; W36-Y50 PolarHBondContact N-O 3.25Å; D37-Y50 HydrophobicContact CB-CD1 4.23Å; D37-Y50 HydrophobicContact CB-CE1 3.44Å; D37-Y50 VanDerWaalsContact CB-CE1 3.44Å; D37-Y50 HydrophobicContact CB-CE2 4.25Å; D37-Y50 VanDerWaalsContact CB-CZ 3.43Å; D37-Y50 VanDerWaalsContact CB-OH 3.29Å; D37-Y50 WeakPolarHBondContact CB-OH 3.46Å; D37-Y50 PolarHBondContact N-O 2.84Å; D37-Y50 PolarHBondContact O-N 3.11Å; D37-Y50 WeakPolarHBondContact OD2-CE1 3.36Å; D37-Y50 PolarHBondContact OD2-OH 3.08Å; Y50-R58 CarbonylContact C-O 3.53Å; Y50-R58 VanDerWaalsContact CA-O 3.32Å; Y50-R58 WeakPolarHBondContact CA-O 3.15Å; Y50-M82 HydrophobicContact CD1-CE 4.13Å; Y50-M82 HydrophobicContact CD2-CE 3.2Å; Y50-M82 HydrophobicContact CE1-CE 4.45Å; Y50-M82 HydrophobicContact CE2-CE 3.61Å; Y50-M82 HydrophobicContact CG-CE 3.49Å; Y50-M82 VanDerWaalsContact CG-CE 3.49Å; Y50-L85 HydrophobicContact CD1-CD1 4.28Å |
| 51 | A | 83.6 | Confident | 85.4 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | D33 Q34 I35 V57 R58 | D33-A51 HydrophobicContact CB-CB 3.52Å; Q34-A51 WeakPolarHBondContact O-CA 3.31Å; Q34-A51 VanDerWaalsContact O-CB 3.24Å; Q34-A51 WeakPolarHBondContact O-CB 3.25Å; I35-A51 HydrophobicContact CD1-CB 4.42Å; A51-V57 WeakPolarHBondContact O-CA 3.31Å; A51-R58 HydrophobicContact CB-CB 4.41Å; A51-R58 PolarHBondContact N-O 3.42Å; A51-R58 PolarHBondContact O-N 3.37Å |
| 52 | K | 72.9 | Confident | 85.5 | Confident | 99 Ų | 99 | 45.3 Ų | 45.3 | 43% | 0.43 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 85.1 | 174.9 | -171.7 | 174.2 | 176.8 | 171.7 | 0 | 108.4 | W36 M82 | W36-K52 HydrophobicContact CB-CB 4.24Å; W36-K52 HydrophobicContact CG-CB 4.32Å; K52-M82 PolarHBondContact NZ-O 3.38Å |
| 53 | G | 65.1 | Low | 85.9 | Confident | 34 Ų | 34 | 45 Ų | 45 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | trans | -85 | 155.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S55 A56 | G53-S55 PolarHBondContact O-N 2.93Å; G53-A56 WeakPolarHBondContact CA-O 3.34Å; G53-A56 PolarHBondContact N-O 3.24Å; G53-A56 PolarHBondContact O-N 2.97Å | ||
| 54 | Y | 58.6 | Low | 86.2 | Confident | 175 Ų | 175 | 43.3 Ų | 43.3 | 69% | 0.686 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -55.5 | -36.8 | 172 | -83.4 | -81 | 0 | 0 | 0 | 112.3 | R102 M534 | Y54-R102 PolarHBondContact O-NH1 3.04Å; Y54-R102 PolarHBondContact O-NH2 2.96Å; Y54-M534 HydrophobicContact CE1-CE 4.26Å |
| 55 | S | 71.3 | Confident | 86.5 | Confident | 91 Ų | 91 | 44.6 Ų | 44.6 | 64% | 0.636 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -90.1 | -31.2 | -177.2 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | G53 S78 R102 | G53-S55 PolarHBondContact O-N 2.93Å; S55-S78 WeakPolarHBondContact O-CA 3.17Å; S55-R102 VanDerWaalsContact C-NH2 3.32Å; S55-R102 PolarHBondContact O-NH2 2.95Å |
| 56 | A | 83.4 | Confident | 86.7 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | trans | -155.4 | 150.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | G53 F77 | G53-A56 WeakPolarHBondContact CA-O 3.34Å; G53-A56 PolarHBondContact N-O 3.24Å; G53-A56 PolarHBondContact O-N 2.97Å; A56-F77 CarbonylContact C-O 3.58Å; A56-F77 WeakPolarHBondContact CA-O 3.22Å; A56-F77 WeakPolarHBondContact CB-O 3.41Å | ||
| 57 | V | 86 | Confident | 86.5 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129 | 162.9 | 177.5 | 0 | 0 | 0 | 0 | 107.9 | A51 S76 F77 M82 | A51-V57 WeakPolarHBondContact O-CA 3.31Å; V57-S76 CarbonylContact O-C 3.56Å; V57-S76 WeakPolarHBondContact O-CA 3.48Å; V57-F77 HydrophobicContact CB-CB 4.45Å; V57-F77 HydrophobicContact CB-CD2 4.18Å; V57-F77 HydrophobicContact CG1-CD2 4.26Å; V57-F77 PolarHBondContact N-O 3.38Å; V57-F77 PolarHBondContact O-N 3.36Å; V57-M82 HydrophobicContact CG1-CB 3.9Å; V57-M82 HydrophobicContact CG1-CE 4.06Å; V57-M82 HydrophobicContact CG1-SD 3.98Å; V57-M82 HydrophobicContact CG2-CB 4.01Å |
| 58 | R | 91.6 | Very high | 86.4 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 28% | 0.279 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 140.4 | 177.6 | -65.9 | 169.6 | -176.7 | 178.5 | 2.4 | 109.9 | D33 Y50 A51 I75 | D33-R58 IonicContact OD1-CZ 2.74Å; D33-R58 IonicContact OD1-NE 3.29Å; D33-R58 IonicContact OD1-NH1 3.16Å; D33-R58 PolarHBondContact OD1-NH1 3.42Å; D33-R58 WeakPolarHBondContact OD2-CD 3.17Å; D33-R58 IonicContact OD2-NE 3.77Å; D33-R58 IonicContact OD2-NH1 2.75Å; D33-R58 PolarHBondContact OD2-NH1 2.94Å; Y50-R58 CarbonylContact C-O 3.53Å; Y50-R58 VanDerWaalsContact CA-O 3.32Å; Y50-R58 WeakPolarHBondContact CA-O 3.15Å; A51-R58 HydrophobicContact CB-CB 4.41Å; A51-R58 PolarHBondContact N-O 3.42Å; A51-R58 PolarHBondContact O-N 3.37Å; R58-I75 WeakPolarHBondContact CA-O 3.42Å |
| 59 | I | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.7 | 177.1 | -59.6 | 178.3 | 0 | 0 | 0 | 108.3 | I48 M49 I74 I75 F77 M82 L97 L112 | I48-I59 HydrophobicContact CD1-CG2 3.63Å; I48-I59 HydrophobicContact CG1-CG2 3.63Å; M49-I59 WeakPolarHBondContact O-CA 3.41Å; I59-I74 HydrophobicContact CG2-CD1 3.88Å; I59-I74 HydrophobicContact CG2-CG1 4.43Å; I59-I74 PolarHBondContact O-N 3.49Å; I59-I75 HydrophobicContact CB-CG2 3.96Å; I59-I75 HydrophobicContact CD1-CG2 4.06Å; I59-I75 HydrophobicContact CG1-CG2 4.2Å; I59-I75 PolarHBondContact N-O 2.99Å; I59-I75 PolarHBondContact O-N 3.13Å; I59-F77 HydrophobicContact CD1-CE2 4.41Å; I59-M82 HydrophobicContact CD1-SD 4.34Å; I59-L97 HydrophobicContact CD1-CD1 3.51Å; I59-L97 HydrophobicContact CD1-CD2 3.91Å; I59-L97 HydrophobicContact CD1-CG 4.37Å; I59-L112 HydrophobicContact CD1-CD2 3.82Å; I59-L112 HydrophobicContact CG2-CD2 4.3Å |
| 60 | W | 93.6 | Very high | 86.4 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.2 | -178.5 | -59.3 | 85.6 | 0 | 0 | 0 | 109.9 | P32 D33 I48 M49 L71 K72 M73 | P32-W60 HydrophobicContact CG-CH2 3.61Å; P32-W60 HydrophobicContact CG-CZ2 3.78Å; D33-W60 VanDerWaalsContact OD2-CE2 3.24Å; D33-W60 WeakPolarHBondContact OD2-CZ2 3.17Å; D33-W60 PolarHBondContact OD2-NE1 3.45Å; I48-W60 WeakPolarHBondContact CA-O 3.49Å; M49-W60 HydrophobicContact CB-CB 4.24Å; M49-W60 PolarHBondContact N-O 2.97Å; M49-W60 PolarHBondContact O-N 3.32Å; W60-L71 HydrophobicContact CB-CD1 4.04Å; W60-L71 HydrophobicContact CE3-CD1 4.37Å; W60-L71 HydrophobicContact CE3-CD2 4.16Å; W60-L71 HydrophobicContact CE3-CG 3.89Å; W60-L71 HydrophobicContact CZ3-CD2 4.46Å; W60-L71 HydrophobicContact CZ3-CG 4.44Å; W60-K72 CarbonylContact C-O 3.5Å; W60-K72 VanDerWaalsContact CA-O 3.3Å; W60-K72 WeakPolarHBondContact CA-O 3.19Å; W60-M73 HydrophobicContact CD2-CB 4.03Å; W60-M73 HydrophobicContact CD2-CG 4.27Å; W60-M73 HydrophobicContact CE3-CB 3.7Å; W60-M73 HydrophobicContact CE3-CG 4.43Å; W60-M73 VanDerWaalsContact CE3-N 3.28Å; W60-M73 HydrophobicContact CH2-CB 3.95Å; W60-M73 HydrophobicContact CH2-CE 3.49Å; W60-M73 VanDerWaalsContact CH2-CE 3.49Å; W60-M73 HydrophobicContact CH2-CG 4.44Å; W60-M73 HydrophobicContact CZ2-CB 4.25Å; W60-M73 HydrophobicContact CZ2-CE 3.3Å; W60-M73 HydrophobicContact CZ2-CG 4.27Å; W60-M73 HydrophobicContact CZ3-CB 3.67Å; W60-M73 HydrophobicContact CZ3-CE 4.37Å |
| 61 | L | 94.7 | Very high | 86.6 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.3 | 168.8 | -166.4 | 66.1 | 0 | 0 | 0 | 107.9 | L41 L71 K72 I74 V114 | L41-L61 HydrophobicContact CD1-CD1 3.93Å; L61-L71 WeakPolarHBondContact O-CA 3.41Å; L61-K72 PolarHBondContact N-O 3.45Å; L61-K72 PolarHBondContact O-N 3.11Å; L61-I74 HydrophobicContact CB-CD1 3.79Å; L61-I74 HydrophobicContact CB-CG1 3.84Å; L61-I74 HydrophobicContact CD1-CD1 4.43Å; L61-V114 HydrophobicContact CD1-CB 4.45Å; L61-V114 HydrophobicContact CD1-CG2 4.48Å |
| 62 | L | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.7 | 171 | 173.2 | 60.7 | 0 | 0 | 0 | 108.8 | F10 W12 V29 S46 I47 M49 P64 E70 L71 | F10-L62 HydrophobicContact CD1-CD2 3.46Å; F10-L62 VanDerWaalsContact CD1-CD2 3.46Å; F10-L62 HydrophobicContact CE1-CD2 3.5Å; F10-L62 VanDerWaalsContact CE1-CD2 3.5Å; W12-L62 HydrophobicContact CE3-CD2 4.13Å; W12-L62 HydrophobicContact CH2-CD1 3.97Å; W12-L62 HydrophobicContact CH2-CD2 4.43Å; W12-L62 HydrophobicContact CZ3-CD1 4.15Å; W12-L62 HydrophobicContact CZ3-CD2 3.91Å; V29-L62 HydrophobicContact CG1-CD1 3.97Å; S46-L62 WeakPolarHBondContact CA-O 3.44Å; I47-L62 HydrophobicContact CB-CB 4.18Å; I47-L62 HydrophobicContact CD1-CD2 4.14Å; I47-L62 PolarHBondContact N-O 3.11Å; I47-L62 PolarHBondContact O-N 2.76Å; M49-L62 HydrophobicContact SD-CB 3.72Å; M49-L62 HydrophobicContact SD-CD2 3.86Å; M49-L62 HydrophobicContact SD-CG 4.43Å; L62-P64 VanDerWaalsContact C-CD 3.45Å; L62-P64 WeakPolarHBondContact O-CD 3.35Å; L62-E70 WeakPolarHBondContact CA-O 3.47Å; L62-L71 HydrophobicContact CB-CD1 3.86Å; L62-L71 HydrophobicContact CD1-CB 4.36Å; L62-L71 HydrophobicContact CD1-CD1 4.32Å |
| 63 | E | 94.8 | Very high | 88 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 80.5 | 173.4 | -65.7 | -70.8 | 176.5 | 0 | 0 | 108.5 | S46 F65 A66 E70 | S46-E63 PolarHBondContact OG-OE1 3.11Å; S46-E63 PolarHBondContact OG-OE2 3.14Å; E63-F65 PolarHBondContact O-N 3.25Å; E63-F65 VanDerWaalsContact O-N 3.12Å; E63-A66 HydrophobicContact CB-CB 4.11Å; E63-A66 PolarHBondContact O-N 2.94Å; E63-E70 HydrophobicContact CB-CB 4.25Å; E63-E70 PolarHBondContact N-O 2.95Å; E63-E70 PolarHBondContact O-N 3.32Å |
| 64 | P | 92.6 | Very high | 89.4 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 5% | 0.045 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.5 | -171.4 | 27.2 | -36.9 | 0 | 0 | 0 | 114.3 | W12 W40 R45 I47 L62 | W12-P64 HydrophobicContact CD2-CB 4.08Å; W12-P64 VanDerWaalsContact CE2-CB 3.44Å; W12-P64 HydrophobicContact CG-CB 4.39Å; W12-P64 HydrophobicContact CZ2-CB 3.7Å; W12-P64 PolarHBondContact NE1-O 3.1Å; W40-P64 HydrophobicContact CH2-CG 3.81Å; W40-P64 HydrophobicContact CZ3-CG 4.1Å; R45-P64 WeakPolarHBondContact O-CD 3.19Å; R45-P64 WeakPolarHBondContact O-CG 3.38Å; I47-P64 HydrophobicContact CD1-CG 4.13Å; I47-P64 HydrophobicContact CG1-CG 4.43Å; L62-P64 VanDerWaalsContact C-CD 3.45Å; L62-P64 WeakPolarHBondContact O-CD 3.35Å |
| 65 | F | 90.5 | Very high | 91 | Very high | 141 Ų | 141 | 54.1 Ų | 54.1 | 62% | 0.618 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -1.9 | -178.7 | -54.8 | -66.3 | 0 | 0 | 0 | 113.8 | W40 R45 E63 | W40-F65 AromaticContact CH2-CE2 3.82Å; W40-F65 HydrophobicContact CH2-CE2 3.82Å; W40-F65 AromaticContact CH2-CZ 3.94Å; W40-F65 HydrophobicContact CH2-CZ 3.94Å; W40-F65 AromaticContact CZ3-CE2 3.83Å; W40-F65 HydrophobicContact CZ3-CE2 3.83Å; W40-F65 HydrophobicContact CZ3-CZ 4.38Å; R45-F65 WeakPolarHBondContact O-CD2 3.37Å; E63-F65 PolarHBondContact O-N 3.25Å; E63-F65 VanDerWaalsContact O-N 3.12Å |
| 66 | A | 91.6 | Very high | 92 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -65 | 156.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | E63 P68 P69 E70 | E63-A66 HydrophobicContact CB-CB 4.11Å; E63-A66 PolarHBondContact O-N 2.94Å; A66-P68 CarbonylContact C-O 3.01Å; A66-P68 VanDerWaalsContact CB-O 3.28Å; A66-P68 WeakPolarHBondContact CB-O 3.4Å; A66-P68 CarbonylContact O-C 3.57Å; A66-P69 WeakPolarHBondContact O-CA 3.47Å; A66-P69 VanDerWaalsContact O-N 3.08Å; A66-E70 HydrophobicContact CB-CB 4.41Å |
| 67 | N | 89.1 | Confident | 92.1 | Very high | 167 Ų | 167 | 53 Ų | 53 | 89% | 0.893 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -126 | 102 | 176.7 | -171.5 | 18.1 | 0 | 0 | 0 | 110.3 | ||
| 68 | P | 91.5 | Very high | 92.1 | Very high | 103 Ų | 103 | 57 Ų | 57 | 67% | 0.669 | 30% | 0.302 | S | S | * | . | S | Bend | cis | -70.3 | 163.8 | -1.7 | 32.5 | -36.6 | 0 | 0 | 0 | 112.3 | A66 E70 | A66-P68 CarbonylContact C-O 3.01Å; A66-P68 VanDerWaalsContact CB-O 3.28Å; A66-P68 WeakPolarHBondContact CB-O 3.4Å; A66-P68 CarbonylContact O-C 3.57Å; P68-E70 PolarHBondContact O-N 3.19Å |
| 69 | P | 92.3 | Very high | 91.8 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | trans | -54.2 | 139.9 | 170.7 | -23.4 | 31.7 | 0 | 0 | 0 | 111.5 | W12 T27 A66 | W12-P69 HydrophobicContact CH2-CB 3.52Å; W12-P69 HydrophobicContact CH2-CG 3.87Å; W12-P69 HydrophobicContact CZ2-CB 3.52Å; W12-P69 HydrophobicContact CZ2-CG 3.54Å; T27-P69 HydrophobicContact CG2-CG 3.51Å; A66-P69 WeakPolarHBondContact O-CA 3.47Å; A66-P69 VanDerWaalsContact O-N 3.08Å | ||
| 70 | E | 93.3 | Very high | 91.4 | Very high | 110 Ų | 110 | 58.7 Ų | 58.7 | 51% | 0.514 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.3 | -176.5 | -169.9 | -178.4 | 166.6 | 0 | 0 | 110.3 | L62 E63 A66 P68 | L62-E70 WeakPolarHBondContact CA-O 3.47Å; E63-E70 HydrophobicContact CB-CB 4.25Å; E63-E70 PolarHBondContact N-O 2.95Å; E63-E70 PolarHBondContact O-N 3.32Å; A66-E70 HydrophobicContact CB-CB 4.41Å; P68-E70 PolarHBondContact O-N 3.19Å |
| 71 | L | 94 | Very high | 91 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.3 | 170.2 | -178.2 | 71.1 | 0 | 0 | 0 | 108.9 | V29 S30 C31 M49 W60 L61 L62 | V29-L71 HydrophobicContact CG1-CB 4.36Å; V29-L71 HydrophobicContact CG1-CD2 4.23Å; V29-L71 HydrophobicContact CG2-CB 3.86Å; V29-L71 HydrophobicContact CG2-CD2 4.41Å; S30-L71 WeakPolarHBondContact O-CD2 3.26Å; C31-L71 HydrophobicContact CB-CD2 3.85Å; M49-L71 HydrophobicContact SD-CD1 3.97Å; W60-L71 HydrophobicContact CB-CD1 4.04Å; W60-L71 HydrophobicContact CE3-CD1 4.37Å; W60-L71 HydrophobicContact CE3-CD2 4.16Å; W60-L71 HydrophobicContact CE3-CG 3.89Å; W60-L71 HydrophobicContact CZ3-CD2 4.46Å; W60-L71 HydrophobicContact CZ3-CG 4.44Å; L61-L71 WeakPolarHBondContact O-CA 3.41Å; L62-L71 HydrophobicContact CB-CD1 3.86Å; L62-L71 HydrophobicContact CD1-CB 4.36Å; L62-L71 HydrophobicContact CD1-CD1 4.32Å |
| 72 | K | 94 | Very high | 90.5 | Very high | 111 Ų | 111 | 59 Ų | 59 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.3 | -176 | -179.3 | -179.5 | 176.8 | -175.3 | 0 | 111.5 | W60 L61 I74 | W60-K72 CarbonylContact C-O 3.5Å; W60-K72 VanDerWaalsContact CA-O 3.3Å; W60-K72 WeakPolarHBondContact CA-O 3.19Å; L61-K72 PolarHBondContact N-O 3.45Å; L61-K72 PolarHBondContact O-N 3.11Å; K72-I74 PolarHBondContact O-N 2.93Å |
| 73 | M | 93.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 62 Ų | 62 | 37% | 0.365 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 120 | 168.5 | -166.7 | -169.1 | -66.4 | 0 | 0 | 109.1 | W60 | W60-M73 HydrophobicContact CD2-CB 4.03Å; W60-M73 HydrophobicContact CD2-CG 4.27Å; W60-M73 HydrophobicContact CE3-CB 3.7Å; W60-M73 HydrophobicContact CE3-CG 4.43Å; W60-M73 VanDerWaalsContact CE3-N 3.28Å; W60-M73 HydrophobicContact CH2-CB 3.95Å; W60-M73 HydrophobicContact CH2-CE 3.49Å; W60-M73 VanDerWaalsContact CH2-CE 3.49Å; W60-M73 HydrophobicContact CH2-CG 4.44Å; W60-M73 HydrophobicContact CZ2-CB 4.25Å; W60-M73 HydrophobicContact CZ2-CE 3.3Å; W60-M73 HydrophobicContact CZ2-CG 4.27Å; W60-M73 HydrophobicContact CZ3-CB 3.67Å; W60-M73 HydrophobicContact CZ3-CE 4.37Å |
| 74 | I | 94.2 | Very high | 89.1 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.087 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -48.1 | 177.9 | -48.5 | 179.5 | 0 | 0 | 0 | 109.8 | I59 L61 K72 L112 V114 A117 | I59-I74 HydrophobicContact CG2-CD1 3.88Å; I59-I74 HydrophobicContact CG2-CG1 4.43Å; I59-I74 PolarHBondContact O-N 3.49Å; L61-I74 HydrophobicContact CB-CD1 3.79Å; L61-I74 HydrophobicContact CB-CG1 3.84Å; L61-I74 HydrophobicContact CD1-CD1 4.43Å; K72-I74 PolarHBondContact O-N 2.93Å; I74-L112 HydrophobicContact CG2-CD1 4.15Å; I74-L112 HydrophobicContact CG2-CD2 4.15Å; I74-L112 HydrophobicContact CG2-CG 4.45Å; I74-V114 HydrophobicContact CD1-CB 3.8Å; I74-V114 HydrophobicContact CD1-CG1 4.02Å; I74-A117 HydrophobicContact CG2-CB 3.83Å; I74-A117 WeakPolarHBondContact O-CB 3.35Å |
| 75 | I | 92.1 | Very high | 88.8 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 16% | 0.164 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 152.5 | -174.3 | -165.1 | 154.6 | 0 | 0 | 0 | 111.6 | R58 I59 F77 L112 L119 | R58-I75 WeakPolarHBondContact CA-O 3.42Å; I59-I75 HydrophobicContact CB-CG2 3.96Å; I59-I75 HydrophobicContact CD1-CG2 4.06Å; I59-I75 HydrophobicContact CG1-CG2 4.2Å; I59-I75 PolarHBondContact N-O 2.99Å; I59-I75 PolarHBondContact O-N 3.13Å; I75-F77 HydrophobicContact CB-CE2 4.5Å; I75-F77 HydrophobicContact CB-CZ 4.25Å; I75-F77 HydrophobicContact CD1-CD1 4.39Å; I75-F77 HydrophobicContact CD1-CE1 3.38Å; I75-F77 HydrophobicContact CD1-CE2 4.39Å; I75-F77 HydrophobicContact CD1-CZ 3.39Å; I75-F77 HydrophobicContact CG1-CD1 4.26Å; I75-F77 HydrophobicContact CG1-CE1 3.62Å; I75-F77 HydrophobicContact CG1-CE2 4.14Å; I75-F77 HydrophobicContact CG1-CZ 3.57Å; I75-F77 HydrophobicContact CG2-CD2 4.49Å; I75-F77 HydrophobicContact CG2-CE2 3.61Å; I75-F77 HydrophobicContact CG2-CZ 3.67Å; I75-L112 HydrophobicContact CG2-CD1 4.47Å; I75-L112 HydrophobicContact CG2-CD2 3.88Å; I75-L119 HydrophobicContact CD1-CB 4.34Å; I75-L119 HydrophobicContact CD1-CD2 4.3Å |
| 76 | S | 92.4 | Very high | 88.8 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 128.2 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 110 | V57 | V57-S76 CarbonylContact O-C 3.56Å; V57-S76 WeakPolarHBondContact O-CA 3.48Å |
| 77 | F | 85.8 | Confident | 88.7 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 8% | 0.075 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 109 | -180 | -48.9 | -75.3 | 0 | 0 | 0 | 110.4 | A56 V57 I59 I75 Y80 L97 L99 L119 | A56-F77 CarbonylContact C-O 3.58Å; A56-F77 WeakPolarHBondContact CA-O 3.22Å; A56-F77 WeakPolarHBondContact CB-O 3.41Å; V57-F77 HydrophobicContact CB-CB 4.45Å; V57-F77 HydrophobicContact CB-CD2 4.18Å; V57-F77 HydrophobicContact CG1-CD2 4.26Å; V57-F77 PolarHBondContact N-O 3.38Å; V57-F77 PolarHBondContact O-N 3.36Å; I59-F77 HydrophobicContact CD1-CE2 4.41Å; I75-F77 HydrophobicContact CB-CE2 4.5Å; I75-F77 HydrophobicContact CB-CZ 4.25Å; I75-F77 HydrophobicContact CD1-CD1 4.39Å; I75-F77 HydrophobicContact CD1-CE1 3.38Å; I75-F77 HydrophobicContact CD1-CE2 4.39Å; I75-F77 HydrophobicContact CD1-CZ 3.39Å; I75-F77 HydrophobicContact CG1-CD1 4.26Å; I75-F77 HydrophobicContact CG1-CE1 3.62Å; I75-F77 HydrophobicContact CG1-CE2 4.14Å; I75-F77 HydrophobicContact CG1-CZ 3.57Å; I75-F77 HydrophobicContact CG2-CD2 4.49Å; I75-F77 HydrophobicContact CG2-CE2 3.61Å; I75-F77 HydrophobicContact CG2-CZ 3.67Å; F77-Y80 HydrophobicContact CB-CD2 4.3Å; F77-Y80 HydrophobicContact CD1-CD2 4.27Å; F77-L97 HydrophobicContact CE2-CD1 4.49Å; F77-L99 HydrophobicContact CE1-CD1 4.34Å; F77-L99 HydrophobicContact CE2-CD1 4.44Å; F77-L99 HydrophobicContact CE2-CD2 4.48Å; F77-L99 HydrophobicContact CZ-CD1 4.07Å; F77-L119 HydrophobicContact CE1-CD2 3.6Å; F77-L119 HydrophobicContact CZ-CD2 3.76Å |
| 78 | S | 86.1 | Confident | 88.7 | Confident | 84 Ų | 84 | 52.4 Ų | 52.4 | 59% | 0.587 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -82.4 | -29.6 | 170 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | S55 R102 | S55-S78 WeakPolarHBondContact O-CA 3.17Å; S78-R102 VanDerWaalsContact O-CD 3.24Å; S78-R102 WeakPolarHBondContact O-CD 3.08Å; S78-R102 PolarHBondContact O-NE 2.89Å |
| 79 | S | 83.9 | Confident | 88.3 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -93.5 | 0.5 | -173.3 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | R101 R102 | S79-R101 CarbonylContact O-C 3.58Å; S79-R101 WeakPolarHBondContact O-CA 3.1Å; S79-R102 PolarHBondContact O-N 2.89Å |
| 80 | Y | 85.8 | Confident | 88 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.1 | -177.6 | -68.7 | -96.8 | 0 | 0 | 0 | 112.5 | F77 L99 S100 R101 | F77-Y80 HydrophobicContact CB-CD2 4.3Å; F77-Y80 HydrophobicContact CD1-CD2 4.27Å; Y80-L99 HydrophobicContact CD1-CB 3.86Å; Y80-L99 HydrophobicContact CE1-CB 4.44Å; Y80-S100 CarbonylContact C-O 3.55Å; Y80-S100 WeakPolarHBondContact CA-O 2.96Å; Y80-S100 WeakPolarHBondContact CD1-O 3.13Å; Y80-R101 HydrophobicContact CD1-CG 4Å; Y80-R101 HydrophobicContact CE1-CB 4.44Å; Y80-R101 HydrophobicContact CE1-CG 3.44Å; Y80-R101 VanDerWaalsContact CE1-CG 3.44Å; Y80-R101 HydrophobicContact CE2-CG 4.41Å; Y80-R101 PolarHBondContact OH-NE 2.8Å |
| 81 | L | 83.6 | Confident | 87.9 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 148 | 159.9 | -61.8 | 176 | 0 | 0 | 0 | 108.5 | L99 S100 R102 Y107 | L81-L99 WeakPolarHBondContact O-CA 3.41Å; L81-S100 PolarHBondContact N-O 2.92Å; L81-S100 PolarHBondContact O-N 3.25Å; L81-R102 HydrophobicContact CD2-CG 4.26Å; L81-R102 HydrophobicContact CG-CG 4.07Å; L81-Y107 HydrophobicContact CB-CE1 4.48Å |
| 82 | M | 85.8 | Confident | 87.7 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.9 | 173.3 | -173.5 | 176.9 | 79.1 | 0 | 0 | 109.2 | Y50 K52 V57 I59 L97 F98 L99 | Y50-M82 HydrophobicContact CD1-CE 4.13Å; Y50-M82 HydrophobicContact CD2-CE 3.2Å; Y50-M82 HydrophobicContact CE1-CE 4.45Å; Y50-M82 HydrophobicContact CE2-CE 3.61Å; Y50-M82 HydrophobicContact CG-CE 3.49Å; Y50-M82 VanDerWaalsContact CG-CE 3.49Å; K52-M82 PolarHBondContact NZ-O 3.38Å; V57-M82 HydrophobicContact CG1-CB 3.9Å; V57-M82 HydrophobicContact CG1-CE 4.06Å; V57-M82 HydrophobicContact CG1-SD 3.98Å; V57-M82 HydrophobicContact CG2-CB 4.01Å; I59-M82 HydrophobicContact CD1-SD 4.34Å; M82-L97 HydrophobicContact SD-CD2 3.95Å; M82-F98 WeakPolarHBondContact CA-O 3.2Å; M82-L99 HydrophobicContact CB-CD2 3.98Å; M82-L99 HydrophobicContact CG-CD2 4.01Å |
| 83 | S | 81.1 | Confident | 87.6 | Confident | 63 Ų | 63 | 47.2 Ų | 47.2 | 44% | 0.441 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -37.4 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | F98 Y107 | S83-F98 PolarHBondContact N-O 3.06Å; S83-F98 VanDerWaalsContact N-O 3.14Å; S83-F98 VanDerWaalsContact OG-CB 3.25Å; S83-F98 WeakPolarHBondContact OG-CB 3.3Å; S83-Y107 VanDerWaalsContact CB-CE1 3.44Å; S83-Y107 VanDerWaalsContact OG-CD1 3.22Å; S83-Y107 WeakPolarHBondContact OG-CD1 3.4Å; S83-Y107 WeakPolarHBondContact OG-CE1 3.17Å |
| 84 | F | 78.9 | Confident | 87.6 | Confident | 120 Ų | 120 | 45.7 Ų | 45.7 | 53% | 0.526 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 145.9 | -171.1 | -169 | -110.5 | 0 | 0 | 0 | 111.3 | F98 | F84-F98 HydrophobicContact CB-CB 4.22Å; F84-F98 HydrophobicContact CB-CD2 4.21Å; F84-F98 HydrophobicContact CB-CG 4.39Å; F84-F98 HydrophobicContact CD1-CD2 4.16Å; F84-F98 HydrophobicContact CD1-CE2 4.31Å; F84-F98 PolarHBondContact O-N 2.81Å |
| 85 | L | 86.1 | Confident | 87.6 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.4 | 171.9 | -177.4 | 161.2 | 0 | 0 | 0 | 108.2 | L39 I48 Y50 L87 V95 L96 L97 | L39-L85 HydrophobicContact CD1-CD2 3.58Å; I48-L85 HydrophobicContact CD1-CD1 3.99Å; Y50-L85 HydrophobicContact CD1-CD1 4.28Å; L85-L87 HydrophobicContact CD2-CD2 3.71Å; L85-L87 HydrophobicContact CD2-CG 4.18Å; L85-V95 HydrophobicContact CD2-CB 4.41Å; L85-V95 HydrophobicContact CG-CB 4.45Å; L85-L96 CarbonylContact C-O 3.49Å; L85-L96 VanDerWaalsContact CA-O 3.27Å; L85-L96 WeakPolarHBondContact CA-O 3.31Å; L85-L97 HydrophobicContact CB-CD2 4.1Å; L85-L97 HydrophobicContact CD1-CD2 3.74Å; L85-L97 HydrophobicContact CG-CD2 3.74Å |
| 86 | S | 89.1 | Confident | 87.8 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 141.9 | 173.7 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | L96 | S86-L96 PolarHBondContact N-O 2.03Å; S86-L96 PolarHBondContact O-N 3.05Å |
| 87 | L | 90.4 | Very high | 87.8 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 156.8 | 175.3 | -58.7 | -175.4 | 0 | 0 | 0 | 110.3 | L39 W40 L41 I48 L85 V95 | L39-L87 HydrophobicContact CB-CD1 3.89Å; L39-L87 HydrophobicContact CD1-CD1 4.36Å; L39-L87 HydrophobicContact CD1-CG 4.36Å; W40-L87 WeakPolarHBondContact O-CD1 3.37Å; L41-L87 HydrophobicContact CD2-CD2 3.72Å; I48-L87 HydrophobicContact CG2-CD2 4.33Å; L85-L87 HydrophobicContact CD2-CD2 3.71Å; L85-L87 HydrophobicContact CD2-CG 4.18Å; L87-V95 HydrophobicContact CD2-CB 4.27Å; L87-V95 HydrophobicContact CD2-CG1 3.41Å; L87-V95 VanDerWaalsContact CD2-CG1 3.41Å |
| 88 | S | 88.6 | Confident | 88.2 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | -132.6 | 124.7 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | H42 W90 R91 D135 | H42-S88 PolarHBondContact CD2-O 3.19Å; S88-W90 PolarHBondContact O-N 3.5Å; S88-W90 PolarHBondContact OG-N 3.36Å; S88-W90 VanDerWaalsContact OG-N 3.07Å; S88-R91 CarbonylContact O-C 3.56Å; S88-R91 PolarHBondContact O-N 2.98Å; S88-R91 PolarHBondContact OG-N 3.42Å; S88-D135 WeakPolarHBondContact CB-O 3.32Å; S88-D135 PolarHBondContact OG-O 3.39Å | ||
| 89 | I | 83.7 | Confident | 88.4 | Confident | 29 Ų | 29 | 37 Ų | 37 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.7 | 169.9 | 55.9 | 163.8 | 0 | 0 | 0 | 112.4 | H42 Y234 | H42-I89 HydrophobicContact CB-CG2 4.43Å; H42-I89 PolarHBondContact CD2-N 2.88Å; H42-I89 VanDerWaalsContact CD2-N 3.3Å; H42-I89 WeakPolarHBondContact CE1-CG2 3.4Å; H42-I89 WeakPolarHBondContact ND1-CG2 3.4Å; H42-I89 WeakPolarHBondContact NE2-CG2 3.11Å; I89-Y234 HydrophobicContact CB-CD1 4.13Å; I89-Y234 HydrophobicContact CB-CE1 3.7Å; I89-Y234 HydrophobicContact CD1-CD1 3.2Å; I89-Y234 HydrophobicContact CD1-CE1 3.7Å; I89-Y234 HydrophobicContact CD1-CG 3.76Å; I89-Y234 HydrophobicContact CG1-CD1 4.24Å; I89-Y234 HydrophobicContact CG1-CE1 4.29Å; I89-Y234 HydrophobicContact CG2-CD1 4.04Å; I89-Y234 HydrophobicContact CG2-CE1 3.3Å; I89-Y234 WeakPolarHBondContact CG2-OH 3.44Å |
| 90 | W | 86.9 | Confident | 88.6 | Confident | 96 Ų | 96 | 34 Ų | 34 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -14 | -178.7 | -57.1 | 107.3 | 0 | 0 | 0 | 112 | S88 R136 R187 | S88-W90 PolarHBondContact O-N 3.5Å; S88-W90 PolarHBondContact OG-N 3.36Å; S88-W90 VanDerWaalsContact OG-N 3.07Å; W90-R136 HydrophobicContact CB-CG 4.13Å; W90-R136 HydrophobicContact CG-CG 4.12Å; W90-R187 VanDerWaalsContact CH2-CZ 3.49Å; W90-R187 HydrophobicContact CZ2-CG 4.08Å |
| 91 | R | 90.6 | Very high | 88.7 | Confident | 65 Ų | 65 | 38.8 Ų | 38.8 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -136.4 | 63 | -177.2 | -51.4 | -178.9 | 66 | 154.6 | 3.1 | 109 | S88 D93 E94 R136 F137 | S88-R91 CarbonylContact O-C 3.56Å; S88-R91 PolarHBondContact O-N 2.98Å; S88-R91 PolarHBondContact OG-N 3.42Å; R91-D93 PolarHBondContact O-N 3.19Å; R91-D93 VanDerWaalsContact O-N 3.1Å; R91-E94 HydrophobicContact CB-CB 4.05Å; R91-E94 WeakPolarHBondContact CB-OE2 3.35Å; R91-E94 IonicContact CZ-OE2 3.29Å; R91-E94 IonicContact NE-OE2 3.84Å; R91-E94 PolarHBondContact NE-OE2 3.26Å; R91-E94 IonicContact NH2-OE1 3.79Å; R91-E94 PolarHBondContact NH2-OE1 3.02Å; R91-E94 IonicContact NH2-OE2 3Å; R91-E94 PolarHBondContact NH2-OE2 2.96Å; R91-E94 PolarHBondContact O-N 3.48Å; R91-R136 WeakPolarHBondContact CD-O 3.21Å; R91-R136 PolarHBondContact NH1-O 2.85Å; R91-R136 VanDerWaalsContact NH1-O 3.15Å; R91-F137 HydrophobicContact CB-CE2 4.19Å |
| 92 | P | 90.1 | Very high | 88.5 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.9 | -166.4 | 25.4 | -36.1 | 0 | 0 | 0 | 114.4 | H42 E94 | H42-P92 HydrophobicContact CB-CB 4.33Å; P92-E94 VanDerWaalsContact C-N 3.35Å |
| 93 | D | 91.3 | Very high | 88.1 | Confident | 46 Ų | 46 | 43.8 Ų | 43.8 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 6.7 | 178.6 | -63.5 | -20.1 | 0 | 0 | 0 | 112.8 | R91 N113 V114 K115 | R91-D93 PolarHBondContact O-N 3.19Å; R91-D93 VanDerWaalsContact O-N 3.1Å; D93-N113 CarbonylContact O-C 3.41Å; D93-N113 WeakPolarHBondContact O-CA 3.27Å; D93-V114 WeakPolarHBondContact O-CG2 3.47Å; D93-V114 PolarHBondContact O-N 2.87Å; D93-K115 HydrophobicContact CB-CD 4.28Å; D93-K115 WeakPolarHBondContact OD1-CE 3.37Å; D93-K115 IonicContact OD1-NZ 3.27Å; D93-K115 PolarHBondContact OD1-NZ 2.88Å; D93-K115 WeakPolarHBondContact OD2-CD 3.31Å; D93-K115 WeakPolarHBondContact OD2-CE 3.23Å; D93-K115 IonicContact OD2-NZ 3.81Å; D93-K115 PolarHBondContact OD2-NZ 2.75Å |
| 94 | E | 93.5 | Very high | 88 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.9 | -172.1 | -65.2 | 176.2 | 126.6 | 0 | 0 | 111.3 | R91 P92 I111 L112 N113 F137 | R91-E94 HydrophobicContact CB-CB 4.05Å; R91-E94 WeakPolarHBondContact CB-OE2 3.35Å; R91-E94 IonicContact CZ-OE2 3.29Å; R91-E94 IonicContact NE-OE2 3.84Å; R91-E94 PolarHBondContact NE-OE2 3.26Å; R91-E94 IonicContact NH2-OE1 3.79Å; R91-E94 PolarHBondContact NH2-OE1 3.02Å; R91-E94 IonicContact NH2-OE2 3Å; R91-E94 PolarHBondContact NH2-OE2 2.96Å; R91-E94 PolarHBondContact O-N 3.48Å; P92-E94 VanDerWaalsContact C-N 3.35Å; E94-I111 HydrophobicContact CB-CG2 3.82Å; E94-I111 HydrophobicContact CG-CG2 4.08Å; E94-L112 CarbonylContact C-O 3.53Å; E94-L112 VanDerWaalsContact CA-O 3.28Å; E94-L112 WeakPolarHBondContact CA-O 3.49Å; E94-N113 HydrophobicContact CG-CB 4.18Å; E94-F137 HydrophobicContact CB-CE2 4.13Å |
| 95 | V | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.9 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | L41 I48 L85 L87 L97 I111 L112 V114 | L41-V95 HydrophobicContact CD2-CG1 4.07Å; I48-V95 HydrophobicContact CD1-CB 4.37Å; I48-V95 HydrophobicContact CD1-CG1 3.84Å; I48-V95 HydrophobicContact CD1-CG2 3.86Å; L85-V95 HydrophobicContact CD2-CB 4.41Å; L85-V95 HydrophobicContact CG-CB 4.45Å; L87-V95 HydrophobicContact CD2-CB 4.27Å; L87-V95 HydrophobicContact CD2-CG1 3.41Å; L87-V95 VanDerWaalsContact CD2-CG1 3.41Å; V95-L97 HydrophobicContact CG2-CD2 3.97Å; V95-L97 HydrophobicContact CG2-CG 4.25Å; V95-I111 WeakPolarHBondContact O-CA 3.49Å; V95-L112 HydrophobicContact CG2-CB 3.82Å; V95-L112 HydrophobicContact CG2-CD2 4.17Å; V95-L112 HydrophobicContact CG2-CG 4.31Å; V95-L112 PolarHBondContact N-O 3.44Å; V95-L112 PolarHBondContact O-N 2.72Å; V95-V114 HydrophobicContact CG1-CG1 4.05Å; V95-V114 HydrophobicContact CG2-CG1 4.29Å |
| 96 | L | 95.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.3 | 175.8 | 178.1 | 67.6 | 0 | 0 | 0 | 109.4 | L85 S86 F98 P109 H110 I111 V122 M133 F137 | L85-L96 CarbonylContact C-O 3.49Å; L85-L96 VanDerWaalsContact CA-O 3.27Å; L85-L96 WeakPolarHBondContact CA-O 3.31Å; S86-L96 PolarHBondContact N-O 2.03Å; S86-L96 PolarHBondContact O-N 3.05Å; L96-F98 HydrophobicContact CD2-CE2 3.86Å; L96-F98 HydrophobicContact CG-CD2 4.43Å; L96-F98 HydrophobicContact CG-CE2 4.09Å; L96-P109 HydrophobicContact CD1-CB 3.8Å; L96-H110 CarbonylContact C-O 3.59Å; L96-H110 WeakPolarHBondContact CA-O 3.43Å; L96-I111 HydrophobicContact CD1-CG1 4.26Å; L96-V122 HydrophobicContact CD1-CG2 4.29Å; L96-M133 HydrophobicContact CD1-CE 4.31Å; L96-M133 HydrophobicContact CD2-CB 3.89Å; L96-M133 HydrophobicContact CD2-CE 4.14Å; L96-M133 HydrophobicContact CD2-CG 3.91Å; L96-F137 HydrophobicContact CB-CD1 3.5Å; L96-F137 VanDerWaalsContact CB-CD1 3.5Å; L96-F137 HydrophobicContact CB-CD2 4.23Å; L96-F137 HydrophobicContact CB-CE1 3.49Å; L96-F137 VanDerWaalsContact CB-CE1 3.49Å; L96-F137 HydrophobicContact CB-CE2 4.24Å; L96-F137 HydrophobicContact CB-CG 3.87Å; L96-F137 HydrophobicContact CB-CZ 3.87Å; L96-F137 HydrophobicContact CD1-CB 4.3Å; L96-F137 HydrophobicContact CD1-CG 4.46Å; L96-F137 HydrophobicContact CD2-CB 4.44Å; L96-F137 HydrophobicContact CD2-CD1 3.8Å; L96-F137 HydrophobicContact CD2-CE1 4.4Å; L96-F137 HydrophobicContact CD2-CG 4.35Å; L96-F137 HydrophobicContact CG-CD1 4.18Å; L96-F137 HydrophobicContact CG-CG 4.47Å |
| 97 | L | 94.1 | Very high | 88 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.5 | 179.3 | -53.9 | 179.1 | 0 | 0 | 0 | 109.8 | I59 F77 M82 L85 V95 L99 P109 H110 L112 L119 | I59-L97 HydrophobicContact CD1-CD1 3.51Å; I59-L97 HydrophobicContact CD1-CD2 3.91Å; I59-L97 HydrophobicContact CD1-CG 4.37Å; F77-L97 HydrophobicContact CE2-CD1 4.49Å; M82-L97 HydrophobicContact SD-CD2 3.95Å; L85-L97 HydrophobicContact CB-CD2 4.1Å; L85-L97 HydrophobicContact CD1-CD2 3.74Å; L85-L97 HydrophobicContact CG-CD2 3.74Å; V95-L97 HydrophobicContact CG2-CD2 3.97Å; V95-L97 HydrophobicContact CG2-CG 4.25Å; L97-L99 HydrophobicContact CB-CD1 4.47Å; L97-L99 HydrophobicContact CB-CD2 4.09Å; L97-L99 HydrophobicContact CB-CG 4.03Å; L97-P109 CarbonylContact O-C 3.58Å; L97-P109 WeakPolarHBondContact O-CA 3.09Å; L97-H110 PolarHBondContact N-O 3.12Å; L97-H110 PolarHBondContact O-N 3.03Å; L97-L112 HydrophobicContact CD1-CB 3.84Å; L97-L112 HydrophobicContact CD1-CD2 4Å; L97-L112 HydrophobicContact CG-CB 4.36Å; L97-L119 HydrophobicContact CD1-CD1 4.15Å |
| 98 | F | 92.8 | Very high | 88.2 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 10% | 0.101 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 109.7 | 168 | -81.4 | -111.4 | 0 | 0 | 0 | 109.2 | M82 S83 F84 L96 Y107 P109 L131 M133 | M82-F98 WeakPolarHBondContact CA-O 3.2Å; S83-F98 PolarHBondContact N-O 3.06Å; S83-F98 VanDerWaalsContact N-O 3.14Å; S83-F98 VanDerWaalsContact OG-CB 3.25Å; S83-F98 WeakPolarHBondContact OG-CB 3.3Å; F84-F98 HydrophobicContact CB-CB 4.22Å; F84-F98 HydrophobicContact CB-CD2 4.21Å; F84-F98 HydrophobicContact CB-CG 4.39Å; F84-F98 HydrophobicContact CD1-CD2 4.16Å; F84-F98 HydrophobicContact CD1-CE2 4.31Å; F84-F98 PolarHBondContact O-N 2.81Å; L96-F98 HydrophobicContact CD2-CE2 3.86Å; L96-F98 HydrophobicContact CG-CD2 4.43Å; L96-F98 HydrophobicContact CG-CE2 4.09Å; F98-Y107 HydrophobicContact CB-CD1 4.36Å; F98-P109 HydrophobicContact CE2-CB 4.43Å; F98-P109 HydrophobicContact CZ-CB 4.33Å; F98-L131 HydrophobicContact CE1-CB 3.92Å; F98-L131 HydrophobicContact CE1-CD1 3.89Å; F98-L131 HydrophobicContact CE1-CG 4.28Å; F98-L131 HydrophobicContact CZ-CB 4.27Å; F98-M133 HydrophobicContact CE2-CG 4.29Å; F98-M133 HydrophobicContact CZ-CG 3.84Å |
| 99 | L | 91.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.5 | -174.3 | -57.6 | 179.9 | 0 | 0 | 0 | 110.6 | F77 Y80 L81 M82 L97 E108 H110 L119 | F77-L99 HydrophobicContact CE1-CD1 4.34Å; F77-L99 HydrophobicContact CE2-CD1 4.44Å; F77-L99 HydrophobicContact CE2-CD2 4.48Å; F77-L99 HydrophobicContact CZ-CD1 4.07Å; Y80-L99 HydrophobicContact CD1-CB 3.86Å; Y80-L99 HydrophobicContact CE1-CB 4.44Å; L81-L99 WeakPolarHBondContact O-CA 3.41Å; M82-L99 HydrophobicContact CB-CD2 3.98Å; M82-L99 HydrophobicContact CG-CD2 4.01Å; L97-L99 HydrophobicContact CB-CD1 4.47Å; L97-L99 HydrophobicContact CB-CD2 4.09Å; L97-L99 HydrophobicContact CB-CG 4.03Å; L99-E108 PolarHBondContact N-O 2.88Å; L99-E108 PolarHBondContact O-N 2.96Å; L99-H110 HydrophobicContact CD1-CB 4.16Å; L99-L119 HydrophobicContact CD1-CD2 4.01Å |
| 100 | S | 88.1 | Confident | 89 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139 | 167.8 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | Y80 L81 R104 I106 | Y80-S100 CarbonylContact C-O 3.55Å; Y80-S100 WeakPolarHBondContact CA-O 2.96Å; Y80-S100 WeakPolarHBondContact CD1-O 3.13Å; L81-S100 PolarHBondContact N-O 2.92Å; L81-S100 PolarHBondContact O-N 3.25Å; S100-R104 PolarHBondContact OG-O 2.8Å; S100-I106 WeakPolarHBondContact CB-O 3.25Å; S100-I106 PolarHBondContact OG-O 3.23Å |
| 101 | R | 86.6 | Confident | 89.5 | Confident | 147 Ų | 147 | 38.6 Ų | 38.6 | 56% | 0.555 | 18% | 0.184 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 139.2 | 168.7 | -74.1 | -175.9 | 174.4 | 179.7 | -1 | 108.8 | S79 Y80 G103 R104 | S79-R101 CarbonylContact O-C 3.58Å; S79-R101 WeakPolarHBondContact O-CA 3.1Å; Y80-R101 HydrophobicContact CD1-CG 4Å; Y80-R101 HydrophobicContact CE1-CB 4.44Å; Y80-R101 HydrophobicContact CE1-CG 3.44Å; Y80-R101 VanDerWaalsContact CE1-CG 3.44Å; Y80-R101 HydrophobicContact CE2-CG 4.41Å; Y80-R101 PolarHBondContact OH-NE 2.8Å; R101-G103 PolarHBondContact O-N 2.81Å; R101-R104 HydrophobicContact CB-CB 4.4Å; R101-R104 HydrophobicContact CB-CG 4.41Å; R101-R104 WeakPolarHBondContact O-CA 3.4Å; R101-R104 WeakPolarHBondContact O-CB 3.12Å; R101-R104 PolarHBondContact O-N 3.45Å |
| 102 | R | 79.4 | Confident | 89.7 | Confident | 93 Ų | 93 | 35.5 Ų | 35.5 | 35% | 0.351 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133 | 175 | -73.3 | -176.8 | -175.9 | -93.4 | -0.8 | 110.1 | Y54 S55 S78 S79 L81 R104 | Y54-R102 PolarHBondContact O-NH1 3.04Å; Y54-R102 PolarHBondContact O-NH2 2.96Å; S55-R102 VanDerWaalsContact C-NH2 3.32Å; S55-R102 PolarHBondContact O-NH2 2.95Å; S78-R102 VanDerWaalsContact O-CD 3.24Å; S78-R102 WeakPolarHBondContact O-CD 3.08Å; S78-R102 PolarHBondContact O-NE 2.89Å; S79-R102 PolarHBondContact O-N 2.89Å; L81-R102 HydrophobicContact CD2-CG 4.26Å; L81-R102 HydrophobicContact CG-CG 4.07Å; R102-R104 VanDerWaalsContact C-N 3.26Å; R102-R104 PolarHBondContact O-N 2.9Å |
| 103 | G | 77.1 | Confident | 89.9 | Confident | 56 Ų | 56 | 34.5 Ų | 34.5 | 58% | 0.577 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -6.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R101 | R101-G103 PolarHBondContact O-N 2.81Š|
| 104 | R | 79.6 | Confident | 90 | Very high | 124 Ų | 124 | 32.6 Ų | 32.6 | 47% | 0.468 | 15% | 0.154 | S | C | . | . | trans | -97.4 | 149.5 | 165.5 | -76.6 | -171.6 | 149.9 | -151.3 | -8.3 | 111 | S100 R101 R102 | S100-R104 PolarHBondContact OG-O 2.8Å; R101-R104 HydrophobicContact CB-CB 4.4Å; R101-R104 HydrophobicContact CB-CG 4.41Å; R101-R104 WeakPolarHBondContact O-CA 3.4Å; R101-R104 WeakPolarHBondContact O-CB 3.12Å; R101-R104 PolarHBondContact O-N 3.45Å; R102-R104 VanDerWaalsContact C-N 3.26Å; R102-R104 PolarHBondContact O-N 2.9Å | ||
| 105 | V | 76.6 | Confident | 89.8 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 16% | 0.164 | 17% | 0.17 | C | C | . | . | trans | -97.3 | -5.9 | -176.2 | 170.2 | 0 | 0 | 0 | 0 | 112.3 | R485 L489 | V105-R485 WeakPolarHBondContact CG1-O 3.42Å; V105-R485 HydrophobicContact CG2-CB 3.5Å; V105-R485 VanDerWaalsContact CG2-CB 3.5Å; V105-R485 WeakPolarHBondContact CG2-O 3.28Å; V105-L489 HydrophobicContact CG1-CD1 4.02Å; V105-L489 HydrophobicContact CG1-CG 3.88Å | ||
| 106 | I | 87.2 | Confident | 89.7 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 16% | 0.164 | 20% | 0.197 | C | C | . | . | trans | -110.8 | 118.3 | -168.3 | -61.7 | 156.7 | 0 | 0 | 0 | 109.4 | S100 N125 E126 L489 | S100-I106 WeakPolarHBondContact CB-O 3.25Å; S100-I106 PolarHBondContact OG-O 3.23Å; I106-N125 HydrophobicContact CG2-CB 3.58Å; I106-N125 WeakPolarHBondContact CG2-ND2 3.35Å; I106-N125 VanDerWaalsContact CG2-O 3.22Å; I106-N125 WeakPolarHBondContact CG2-O 3.41Å; I106-E126 WeakPolarHBondContact CD1-O 3.34Å; I106-L489 HydrophobicContact CG1-CD1 3.97Å | ||
| 107 | Y | 90.7 | Very high | 89.6 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | trans | -86.1 | 135.4 | 174.7 | -70.2 | -90.8 | 0 | 0 | 0 | 111.1 | L81 S83 F98 N125 | L81-Y107 HydrophobicContact CB-CE1 4.48Å; S83-Y107 VanDerWaalsContact CB-CE1 3.44Å; S83-Y107 VanDerWaalsContact OG-CD1 3.22Å; S83-Y107 WeakPolarHBondContact OG-CD1 3.4Å; S83-Y107 WeakPolarHBondContact OG-CE1 3.17Å; F98-Y107 HydrophobicContact CB-CD1 4.36Å; Y107-N125 WeakPolarHBondContact O-CB 3.47Å; Y107-N125 PolarHBondContact O-ND2 2.86Å; Y107-N125 VanDerWaalsContact O-ND2 3.08Å | ||
| 108 | E | 93.6 | Very high | 89.7 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132 | 178.3 | -65.8 | -174.9 | 165.6 | 0 | 0 | 109.8 | L99 H110 R121 K124 N125 | L99-E108 PolarHBondContact N-O 2.88Å; L99-E108 PolarHBondContact O-N 2.96Å; E108-H110 PolarHBondContact O-ND1 2.79Å; E108-H110 IonicContact OE2-CE1 3.73Å; E108-R121 IonicContact OE1-NH1 2.71Å; E108-R121 WeakPolarHBondContact OE2-CD 3.27Å; E108-R121 IonicContact OE2-NH1 2.59Å; E108-R121 PolarHBondContact OE2-NH1 2.95Å; E108-K124 WeakPolarHBondContact OE1-CG 3.33Å; E108-N125 HydrophobicContact CG-CB 4.19Å |
| 109 | P | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 130.5 | 177.7 | 28.1 | -31.8 | 0 | 0 | 0 | 110.7 | L96 L97 F98 V122 F123 L131 M133 | L96-P109 HydrophobicContact CD1-CB 3.8Å; L97-P109 CarbonylContact O-C 3.58Å; L97-P109 WeakPolarHBondContact O-CA 3.09Å; F98-P109 HydrophobicContact CE2-CB 4.43Å; F98-P109 HydrophobicContact CZ-CB 4.33Å; P109-V122 HydrophobicContact CB-CB 4.26Å; P109-V122 HydrophobicContact CG-CB 4.16Å; P109-V122 PolarHBondContact O-N 2.89Å; P109-F123 WeakPolarHBondContact CD-O 3.47Å; P109-F123 HydrophobicContact CG-CB 3.75Å; P109-L131 VanDerWaalsContact CD-CD1 3.48Å; P109-L131 HydrophobicContact CG-CD1 3.94Å; P109-M133 HydrophobicContact CB-CE 4.28Å; P109-M133 HydrophobicContact CB-SD 4.49Å; P109-M133 HydrophobicContact CG-SD 4.47Å |
| 110 | H | 95.3 | Very high | 90 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.3 | 177.1 | -67 | 72.5 | 0 | 0 | 0 | 110.2 | L96 L97 L99 E108 L119 E120 | L96-H110 CarbonylContact C-O 3.59Å; L96-H110 WeakPolarHBondContact CA-O 3.43Å; L97-H110 PolarHBondContact N-O 3.12Å; L97-H110 PolarHBondContact O-N 3.03Å; L99-H110 HydrophobicContact CD1-CB 4.16Å; E108-H110 PolarHBondContact O-ND1 2.79Å; E108-H110 IonicContact OE2-CE1 3.73Å; H110-L119 HydrophobicContact CB-CD1 3.74Å; H110-L119 HydrophobicContact CB-CG 4.17Å; H110-E120 CarbonylContact C-O 3.54Å; H110-E120 WeakPolarHBondContact CA-O 3.05Å |
| 111 | I | 95.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.062 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.9 | 172.5 | -66.9 | 163.3 | 0 | 0 | 0 | 108 | E94 V95 L96 L119 E120 V122 F137 | E94-I111 HydrophobicContact CB-CG2 3.82Å; E94-I111 HydrophobicContact CG-CG2 4.08Å; V95-I111 WeakPolarHBondContact O-CA 3.49Å; L96-I111 HydrophobicContact CD1-CG1 4.26Å; I111-L119 CarbonylContact O-C 3.51Å; I111-L119 WeakPolarHBondContact O-CA 3.31Å; I111-E120 PolarHBondContact N-O 3.32Å; I111-E120 PolarHBondContact O-N 2.94Å; I111-V122 HydrophobicContact CB-CG2 4.39Å; I111-V122 HydrophobicContact CD1-CG2 3.39Å; I111-V122 HydrophobicContact CG1-CG2 3.44Å; I111-V122 VanDerWaalsContact CG1-CG2 3.44Å; I111-F137 HydrophobicContact CD1-CB 3.81Å; I111-F137 HydrophobicContact CD1-CD2 4Å; I111-F137 HydrophobicContact CD1-CG 4.4Å; I111-F137 HydrophobicContact CG1-CB 4.09Å; I111-F137 HydrophobicContact CG1-CD2 3.82Å; I111-F137 HydrophobicContact CG1-CG 4.31Å; I111-F137 HydrophobicContact CG2-CD2 4.43Å |
| 112 | L | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121 | 171.1 | 173.4 | 64.8 | 0 | 0 | 0 | 108.7 | I59 I74 I75 E94 V95 L97 K118 L119 | I59-L112 HydrophobicContact CD1-CD2 3.82Å; I59-L112 HydrophobicContact CG2-CD2 4.3Å; I74-L112 HydrophobicContact CG2-CD1 4.15Å; I74-L112 HydrophobicContact CG2-CD2 4.15Å; I74-L112 HydrophobicContact CG2-CG 4.45Å; I75-L112 HydrophobicContact CG2-CD1 4.47Å; I75-L112 HydrophobicContact CG2-CD2 3.88Å; E94-L112 CarbonylContact C-O 3.53Å; E94-L112 VanDerWaalsContact CA-O 3.28Å; E94-L112 WeakPolarHBondContact CA-O 3.49Å; V95-L112 HydrophobicContact CG2-CB 3.82Å; V95-L112 HydrophobicContact CG2-CD2 4.17Å; V95-L112 HydrophobicContact CG2-CG 4.31Å; V95-L112 PolarHBondContact N-O 3.44Å; V95-L112 PolarHBondContact O-N 2.72Å; L97-L112 HydrophobicContact CD1-CB 3.84Å; L97-L112 HydrophobicContact CD1-CD2 4Å; L97-L112 HydrophobicContact CG-CB 4.36Å; L112-K118 WeakPolarHBondContact CA-O 3.27Å; L112-L119 HydrophobicContact CB-CD1 3.81Å; L112-L119 HydrophobicContact CD1-CB 4.47Å; L112-L119 HydrophobicContact CD1-CD1 4.34Å |
| 113 | N | 95.1 | Very high | 91.3 | Very high | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 115.1 | 165.9 | -178.4 | -73.5 | 0 | 0 | 0 | 109.2 | D93 E94 K115 T116 A117 K118 | D93-N113 CarbonylContact O-C 3.41Å; D93-N113 WeakPolarHBondContact O-CA 3.27Å; E94-N113 HydrophobicContact CG-CB 4.18Å; N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 2.83Å; N113-K115 PolarHBondContact OD1-N 2.98Å; N113-T116 WeakPolarHBondContact CB-OG1 3.31Å; N113-T116 PolarHBondContact O-N 3.43Å; N113-T116 WeakPolarHBondContact OD1-CB 3.24Å; N113-T116 WeakPolarHBondContact OD1-CG2 3.45Å; N113-T116 PolarHBondContact OD1-N 3.4Å; N113-T116 PolarHBondContact OD1-OG1 3.04Å; N113-A117 VanDerWaalsContact O-CA 3.28Å; N113-A117 WeakPolarHBondContact O-CA 3.45Å; N113-A117 PolarHBondContact O-N 3.32Å; N113-K118 HydrophobicContact CB-CB 4.45Å; N113-K118 PolarHBondContact N-O 2.83Å |
| 114 | V | 92.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -25.4 | -170.4 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | L41 I48 L61 I74 D93 V95 | L41-V114 HydrophobicContact CD1-CG1 4.44Å; L41-V114 HydrophobicContact CD1-CG2 3.75Å; I48-V114 HydrophobicContact CD1-CG1 4.11Å; L61-V114 HydrophobicContact CD1-CB 4.45Å; L61-V114 HydrophobicContact CD1-CG2 4.48Å; I74-V114 HydrophobicContact CD1-CB 3.8Å; I74-V114 HydrophobicContact CD1-CG1 4.02Å; D93-V114 WeakPolarHBondContact O-CG2 3.47Å; D93-V114 PolarHBondContact O-N 2.87Å; V95-V114 HydrophobicContact CG1-CG1 4.05Å; V95-V114 HydrophobicContact CG2-CG1 4.29Å |
| 115 | K | 88.8 | Confident | 92.7 | Very high | 120 Ų | 120 | 45.4 Ų | 45.4 | 52% | 0.522 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -40.1 | -179.7 | -66.3 | -177.5 | 177.1 | 164 | 0 | 112.4 | D93 N113 | D93-K115 HydrophobicContact CB-CD 4.28Å; D93-K115 WeakPolarHBondContact OD1-CE 3.37Å; D93-K115 IonicContact OD1-NZ 3.27Å; D93-K115 PolarHBondContact OD1-NZ 2.88Å; D93-K115 WeakPolarHBondContact OD2-CD 3.31Å; D93-K115 WeakPolarHBondContact OD2-CE 3.23Å; D93-K115 IonicContact OD2-NZ 3.81Å; D93-K115 PolarHBondContact OD2-NZ 2.75Å; N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 2.83Å; N113-K115 PolarHBondContact OD1-N 2.98Å |
| 116 | T | 93.4 | Very high | 93.2 | Very high | 94 Ų | 94 | 50.1 Ų | 50.1 | 58% | 0.577 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | -9.5 | -175.4 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | N113 K118 | N113-T116 WeakPolarHBondContact CB-OG1 3.31Å; N113-T116 PolarHBondContact O-N 3.43Å; N113-T116 WeakPolarHBondContact OD1-CB 3.24Å; N113-T116 WeakPolarHBondContact OD1-CG2 3.45Å; N113-T116 PolarHBondContact OD1-N 3.4Å; N113-T116 PolarHBondContact OD1-OG1 3.04Å; T116-K118 PolarHBondContact O-N 3.13Å; T116-K118 VanDerWaalsContact O-N 3.14Å; T116-K118 WeakPolarHBondContact OG1-CB 3.48Å; T116-K118 PolarHBondContact OG1-N 3.43Å |
| 117 | A | 93 | Very high | 93.2 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | trans | 57.4 | 15.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I74 N113 L119 | I74-A117 HydrophobicContact CG2-CB 3.83Å; I74-A117 WeakPolarHBondContact O-CB 3.35Å; N113-A117 VanDerWaalsContact O-CA 3.28Å; N113-A117 WeakPolarHBondContact O-CA 3.45Å; N113-A117 PolarHBondContact O-N 3.32Å; A117-L119 PolarHBondContact O-N 3.12Å | ||
| 118 | K | 95.8 | Very high | 93.4 | Very high | 121 Ų | 121 | 51.1 Ų | 51.1 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | trans | -72.6 | 125.5 | 177.3 | -166.7 | -171.8 | -166.9 | -168 | 0 | 109.7 | L112 N113 T116 E120 | L112-K118 WeakPolarHBondContact CA-O 3.27Å; N113-K118 HydrophobicContact CB-CB 4.45Å; N113-K118 PolarHBondContact N-O 2.83Å; T116-K118 PolarHBondContact O-N 3.13Å; T116-K118 VanDerWaalsContact O-N 3.14Å; T116-K118 WeakPolarHBondContact OG1-CB 3.48Å; T116-K118 PolarHBondContact OG1-N 3.43Å; K118-E120 HydrophobicContact CD-CG 4.25Å; K118-E120 WeakPolarHBondContact CE-OE1 3.44Å; K118-E120 HydrophobicContact CG-CG 4.27Å; K118-E120 IonicContact NZ-OE1 2.78Å; K118-E120 PolarHBondContact NZ-OE1 3.24Å | ||
| 119 | L | 94.7 | Very high | 93.2 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.1 | 176 | -173.1 | 74.7 | 0 | 0 | 0 | 110.3 | I75 F77 L97 L99 H110 I111 L112 A117 | I75-L119 HydrophobicContact CD1-CB 4.34Å; I75-L119 HydrophobicContact CD1-CD2 4.3Å; F77-L119 HydrophobicContact CE1-CD2 3.6Å; F77-L119 HydrophobicContact CZ-CD2 3.76Å; L97-L119 HydrophobicContact CD1-CD1 4.15Å; L99-L119 HydrophobicContact CD1-CD2 4.01Å; H110-L119 HydrophobicContact CB-CD1 3.74Å; H110-L119 HydrophobicContact CB-CG 4.17Å; I111-L119 CarbonylContact O-C 3.51Å; I111-L119 WeakPolarHBondContact O-CA 3.31Å; L112-L119 HydrophobicContact CB-CD1 3.81Å; L112-L119 HydrophobicContact CD1-CB 4.47Å; L112-L119 HydrophobicContact CD1-CD1 4.34Å; A117-L119 PolarHBondContact O-N 3.12Å |
| 120 | E | 95.1 | Very high | 93 | Very high | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.2 | -179.4 | -63.5 | -171 | 154.8 | 0 | 0 | 111.3 | H110 I111 K118 | H110-E120 CarbonylContact C-O 3.54Å; H110-E120 WeakPolarHBondContact CA-O 3.05Å; I111-E120 PolarHBondContact N-O 3.32Å; I111-E120 PolarHBondContact O-N 2.94Å; K118-E120 HydrophobicContact CD-CG 4.25Å; K118-E120 WeakPolarHBondContact CE-OE1 3.44Å; K118-E120 HydrophobicContact CG-CG 4.27Å; K118-E120 IonicContact NZ-OE1 2.78Å; K118-E120 PolarHBondContact NZ-OE1 3.24Å |
| 121 | R | 94.2 | Very high | 93 | Very high | 104 Ų | 104 | 55 Ų | 55 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130 | 174.6 | -173.8 | 174.1 | 61 | -169.4 | -4.9 | 110.5 | E108 F123 L162 | E108-R121 IonicContact OE1-NH1 2.71Å; E108-R121 WeakPolarHBondContact OE2-CD 3.27Å; E108-R121 IonicContact OE2-NH1 2.59Å; E108-R121 PolarHBondContact OE2-NH1 2.95Å; R121-F123 WeakPolarHBondContact CG-O 3.31Å; R121-L162 VanDerWaalsContact O-CD2 3.22Å; R121-L162 WeakPolarHBondContact O-CD2 3.4Å |
| 122 | V | 94.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 9% | 0.085 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -86 | -39.1 | 177.2 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | L96 P109 I111 M133 L162 | L96-V122 HydrophobicContact CD1-CG2 4.29Å; P109-V122 HydrophobicContact CB-CB 4.26Å; P109-V122 HydrophobicContact CG-CB 4.16Å; P109-V122 PolarHBondContact O-N 2.89Å; I111-V122 HydrophobicContact CB-CG2 4.39Å; I111-V122 HydrophobicContact CD1-CG2 3.39Å; I111-V122 HydrophobicContact CG1-CG2 3.44Å; I111-V122 VanDerWaalsContact CG1-CG2 3.44Å; V122-M133 HydrophobicContact CG1-CE 4Å; V122-L162 WeakPolarHBondContact O-CD2 3.34Å |
| 123 | F | 94.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | trans | -150.4 | 138 | -177.7 | 174.7 | -116.1 | 0 | 0 | 0 | 110.3 | P109 R121 N125 F128 L131 L139 Y164 F166 | P109-F123 WeakPolarHBondContact CD-O 3.47Å; P109-F123 HydrophobicContact CG-CB 3.75Å; R121-F123 WeakPolarHBondContact CG-O 3.31Å; F123-N125 HydrophobicContact CD1-CB 4.03Å; F123-N125 HydrophobicContact CE1-CB 3.79Å; F123-F128 HydrophobicContact CE1-CD2 4.12Å; F123-F128 HydrophobicContact CZ-CD2 4.14Å; F123-F128 HydrophobicContact CZ-CE2 4.13Å; F123-L131 HydrophobicContact CD1-CD1 4.08Å; F123-L131 HydrophobicContact CD1-CD2 4.09Å; F123-L131 HydrophobicContact CE1-CD2 3.88Å; F123-L139 HydrophobicContact CB-CD2 4.33Å; F123-L139 HydrophobicContact CD1-CD2 3.9Å; F123-L139 HydrophobicContact CD2-CD2 4.03Å; F123-L139 HydrophobicContact CE1-CD2 4.2Å; F123-L139 HydrophobicContact CE2-CD2 4.35Å; F123-L139 HydrophobicContact CG-CD2 3.82Å; F123-L139 HydrophobicContact CZ-CD2 4.42Å; F123-Y164 AromaticContact CD2-CD2 3.71Å; F123-Y164 HydrophobicContact CD2-CD2 3.71Å; F123-Y164 HydrophobicContact CD2-CE2 4.06Å; F123-Y164 HydrophobicContact CE2-CD2 4.19Å; F123-F166 HydrophobicContact CE2-CE2 4.34Å; F123-F166 AromaticContact CE2-CZ 3.65Å; F123-F166 HydrophobicContact CE2-CZ 3.65Å; F123-F166 HydrophobicContact CZ-CE1 4.47Å; F123-F166 HydrophobicContact CZ-CE2 4.26Å; F123-F166 AromaticContact CZ-CZ 3.55Å; F123-F166 HydrophobicContact CZ-CZ 3.55Å | ||
| 124 | K | 93 | Very high | 92.7 | Very high | 99 Ų | 99 | 54.5 Ų | 54.5 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | trans | -90.8 | 100.6 | 171.5 | -175.3 | -168.8 | 176.1 | -148.6 | 0 | 107.9 | E108 E126 | E108-K124 WeakPolarHBondContact OE1-CG 3.33Å; K124-E126 WeakPolarHBondContact CE-OE1 3.16Å; K124-E126 IonicContact NZ-OE1 3.27Å; K124-E126 PolarHBondContact NZ-OE1 3.24Å | ||
| 125 | N | 92.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | trans | -79 | 127.5 | 177 | -172.7 | 7.8 | 0 | 0 | 0 | 110 | I106 Y107 E108 F123 N127 F128 L131 | I106-N125 HydrophobicContact CG2-CB 3.58Å; I106-N125 WeakPolarHBondContact CG2-ND2 3.35Å; I106-N125 VanDerWaalsContact CG2-O 3.22Å; I106-N125 WeakPolarHBondContact CG2-O 3.41Å; Y107-N125 WeakPolarHBondContact O-CB 3.47Å; Y107-N125 PolarHBondContact O-ND2 2.86Å; Y107-N125 VanDerWaalsContact O-ND2 3.08Å; E108-N125 HydrophobicContact CG-CB 4.19Å; F123-N125 HydrophobicContact CD1-CB 4.03Å; F123-N125 HydrophobicContact CE1-CB 3.79Å; N125-N127 PolarHBondContact OD1-N 3.47Å; N125-F128 PolarHBondContact ND2-O 2.95Å; N125-F128 WeakPolarHBondContact OD1-CB 3.37Å; N125-F128 PolarHBondContact OD1-N 2.93Å; N125-L131 HydrophobicContact CB-CD1 4.23Å | ||
| 126 | E | 86.6 | Confident | 92.6 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 59% | 0.593 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -108.8 | -26.6 | -178.7 | -60.8 | -164.4 | 155.4 | 0 | 0 | 113 | I106 K124 | I106-E126 WeakPolarHBondContact CD1-O 3.34Å; K124-E126 WeakPolarHBondContact CE-OE1 3.16Å; K124-E126 IonicContact NZ-OE1 3.27Å; K124-E126 PolarHBondContact NZ-OE1 3.24Å |
| 127 | N | 88.7 | Confident | 92.5 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -163.2 | 2.6 | -171.8 | 65.5 | -18 | 0 | 0 | 0 | 115.5 | N125 | N125-N127 PolarHBondContact OD1-N 3.47Š|
| 128 | F | 93.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 53 Ų | 53 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | trans | -83.5 | 133.2 | -179.5 | -62.3 | -67.7 | 0 | 0 | 0 | 110.6 | F123 N125 L131 V142 A143 N144 Y154 F166 | F123-F128 HydrophobicContact CE1-CD2 4.12Å; F123-F128 HydrophobicContact CZ-CD2 4.14Å; F123-F128 HydrophobicContact CZ-CE2 4.13Å; N125-F128 PolarHBondContact ND2-O 2.95Å; N125-F128 WeakPolarHBondContact OD1-CB 3.37Å; N125-F128 PolarHBondContact OD1-N 2.93Å; F128-L131 HydrophobicContact CB-CD2 3.87Å; F128-L131 HydrophobicContact CD2-CD2 4.47Å; F128-V142 HydrophobicContact CB-CB 4.11Å; F128-V142 HydrophobicContact CD1-CB 3.66Å; F128-V142 HydrophobicContact CD1-CG2 3.56Å; F128-V142 HydrophobicContact CD2-CB 3.92Å; F128-V142 HydrophobicContact CD2-CG1 4.05Å; F128-V142 HydrophobicContact CD2-CG2 4.06Å; F128-V142 HydrophobicContact CE1-CB 4Å; F128-V142 HydrophobicContact CE1-CG2 3.35Å; F128-V142 HydrophobicContact CE2-CB 4.24Å; F128-V142 HydrophobicContact CE2-CG1 4.37Å; F128-V142 HydrophobicContact CE2-CG2 3.86Å; F128-V142 HydrophobicContact CG-CB 3.62Å; F128-V142 HydrophobicContact CG-CG1 4.19Å; F128-V142 HydrophobicContact CG-CG2 3.92Å; F128-V142 HydrophobicContact CZ-CB 4.28Å; F128-V142 HydrophobicContact CZ-CG2 3.51Å; F128-A143 CarbonylContact C-O 3.52Å; F128-A143 VanDerWaalsContact CA-O 3.31Å; F128-A143 WeakPolarHBondContact CA-O 3.28Å; F128-A143 WeakPolarHBondContact CB-O 3.09Å; F128-N144 HydrophobicContact CD1-CB 4.31Å; F128-Y154 HydrophobicContact CE1-CD2 4.14Å; F128-Y154 HydrophobicContact CE1-CE2 4.42Å; F128-F166 HydrophobicContact CE2-CD2 4.18Å; F128-F166 HydrophobicContact CE2-CE1 4.14Å; F128-F166 AromaticContact CE2-CE2 3.76Å; F128-F166 HydrophobicContact CE2-CE2 3.76Å; F128-F166 AromaticContact CE2-CZ 3.74Å; F128-F166 HydrophobicContact CE2-CZ 3.74Å; F128-F166 HydrophobicContact CZ-CD1 4.31Å; F128-F166 AromaticContact CZ-CD2 3.95Å; F128-F166 HydrophobicContact CZ-CD2 3.95Å; F128-F166 HydrophobicContact CZ-CE1 4.37Å; F128-F166 HydrophobicContact CZ-CE2 4.02Å; F128-F166 HydrophobicContact CZ-CG 4.09Å; F128-F166 HydrophobicContact CZ-CZ 4.23Å | ||
| 129 | S | 90.4 | Very high | 92.4 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -76.3 | -27.3 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | A143 | S129-A143 PolarHBondContact N-O 3.18Å; S129-A143 PolarHBondContact OG-O 3.07Å; S129-A143 VanDerWaalsContact OG-O 3.14Å |
| 130 | S | 91.8 | Very high | 92.4 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 38% | 0.378 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 144.5 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | V142 A143 | S130-V142 WeakPolarHBondContact O-CA 3.33Å; S130-A143 PolarHBondContact N-O 2.91Å; S130-A143 PolarHBondContact O-N 2.88Å |
| 131 | L | 94.7 | Very high | 92.4 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.3 | 174 | -49.5 | 175.5 | 0 | 0 | 0 | 108.2 | F98 P109 F123 N125 F128 L139 V142 | F98-L131 HydrophobicContact CE1-CB 3.92Å; F98-L131 HydrophobicContact CE1-CD1 3.89Å; F98-L131 HydrophobicContact CE1-CG 4.28Å; F98-L131 HydrophobicContact CZ-CB 4.27Å; P109-L131 VanDerWaalsContact CD-CD1 3.48Å; P109-L131 HydrophobicContact CG-CD1 3.94Å; F123-L131 HydrophobicContact CD1-CD1 4.08Å; F123-L131 HydrophobicContact CD1-CD2 4.09Å; F123-L131 HydrophobicContact CE1-CD2 3.88Å; N125-L131 HydrophobicContact CB-CD1 4.23Å; F128-L131 HydrophobicContact CB-CD2 3.87Å; F128-L131 HydrophobicContact CD2-CD2 4.47Å; L131-L139 HydrophobicContact CB-CD1 3.84Å; L131-L139 HydrophobicContact CD2-CD1 4.26Å; L131-V142 HydrophobicContact CD2-CB 4.22Å; L131-V142 HydrophobicContact CD2-CG1 3.51Å |
| 132 | I | 94.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.5 | -180 | -61.4 | 95.1 | 0 | 0 | 0 | 108.2 | L140 M141 F182 W194 | I132-L140 PolarHBondContact O-N 2.85Å; I132-M141 HydrophobicContact CB-CB 4.11Å; I132-M141 HydrophobicContact CD1-CB 3.92Å; I132-M141 HydrophobicContact CG1-CB 4.49Å; I132-M141 PolarHBondContact N-O 3.19Å; I132-M141 PolarHBondContact O-N 2.62Å; I132-F182 HydrophobicContact CG2-CB 4.26Å; I132-F182 HydrophobicContact CG2-CD1 4.41Å; I132-F182 HydrophobicContact CG2-CD2 3.34Å; I132-F182 HydrophobicContact CG2-CE2 3.64Å; I132-F182 HydrophobicContact CG2-CG 3.75Å; I132-F182 HydrophobicContact CG2-CZ 4.3Å; I132-W194 HydrophobicContact CD1-CH2 4.37Å; I132-W194 HydrophobicContact CG1-CH2 3.98Å; I132-W194 HydrophobicContact CG1-CZ3 4.43Å; I132-W194 HydrophobicContact CG2-CH2 4.28Å |
| 133 | M | 94 | Very high | 92.5 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 143 | -172.1 | -57.2 | -68.9 | -63.3 | 0 | 0 | 109.4 | L96 F98 P109 V122 F137 R138 L139 | L96-M133 HydrophobicContact CD1-CE 4.31Å; L96-M133 HydrophobicContact CD2-CB 3.89Å; L96-M133 HydrophobicContact CD2-CE 4.14Å; L96-M133 HydrophobicContact CD2-CG 3.91Å; F98-M133 HydrophobicContact CE2-CG 4.29Å; F98-M133 HydrophobicContact CZ-CG 3.84Å; P109-M133 HydrophobicContact CB-CE 4.28Å; P109-M133 HydrophobicContact CB-SD 4.49Å; P109-M133 HydrophobicContact CG-SD 4.47Å; V122-M133 HydrophobicContact CG1-CE 4Å; M133-F137 VanDerWaalsContact CE-C 3.46Å; M133-F137 WeakPolarHBondContact CE-O 3.31Å; M133-R138 WeakPolarHBondContact CA-O 3.38Å; M133-L139 HydrophobicContact CE-CB 4.48Å; M133-L139 VanDerWaalsContact SD-CA 3.54Å; M133-L139 HydrophobicContact SD-CB 3.84Å; M133-L139 HydrophobicContact SD-CD1 3.47Å; M133-L139 WeakPolarHBondContact SD-CD1 3.47Å; M133-L139 HydrophobicContact SD-CG 4.29Å |
| 134 | D | 91.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -83.5 | 172.9 | 171 | 76 | 3 | 0 | 0 | 0 | 112.7 | R136 F137 R138 L140 S185 S189 | D134-R136 PolarHBondContact O-N 2.89Å; D134-R136 VanDerWaalsContact OD1-C 3.23Å; D134-R136 VanDerWaalsContact OD1-CA 3.28Å; D134-R136 WeakPolarHBondContact OD1-CA 3.38Å; D134-R136 WeakPolarHBondContact OD1-CB 3.35Å; D134-R136 PolarHBondContact OD1-N 3.49Å; D134-F137 WeakPolarHBondContact O-CA 3.41Å; D134-F137 PolarHBondContact O-N 2.94Å; D134-F137 PolarHBondContact OD1-N 3.36Å; D134-R138 PolarHBondContact N-O 3.03Å; D134-R138 WeakPolarHBondContact OD1-CB 3.37Å; D134-R138 PolarHBondContact OD1-N 3.49Å; D134-R138 IonicContact OD1-NE 2.98Å; D134-R138 IonicContact OD2-CZ 3.74Å; D134-R138 IonicContact OD2-NE 3.3Å; D134-R138 PolarHBondContact OD2-NE 3.47Å; D134-R138 IonicContact OD2-NH2 2.97Å; D134-R138 PolarHBondContact OD2-NH2 2.98Å; D134-L140 HydrophobicContact CB-CD1 3.85Å; D134-L140 HydrophobicContact CB-CD2 4.09Å; D134-L140 HydrophobicContact CB-CG 3.97Å; D134-S185 WeakPolarHBondContact CB-OG 3.3Å; D134-S189 PolarHBondContact OD2-OG 2.79Å | ||
| 135 | D | 87.8 | Confident | 92.7 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 21% | 0.214 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 1 | 177.4 | -59.5 | -32.7 | 0 | 0 | 0 | 113.7 | S88 | S88-D135 WeakPolarHBondContact CB-O 3.32Å; S88-D135 PolarHBondContact OG-O 3.39Å |
| 136 | R | 90.1 | Very high | 92.8 | Very high | 89 Ų | 89 | 35 Ų | 35 | 34% | 0.336 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 9.7 | 170.6 | -61.6 | -173.7 | -176.9 | 175.2 | 7.7 | 111.9 | W90 R91 D134 R138 R187 | W90-R136 HydrophobicContact CB-CG 4.13Å; W90-R136 HydrophobicContact CG-CG 4.12Å; R91-R136 WeakPolarHBondContact CD-O 3.21Å; R91-R136 PolarHBondContact NH1-O 2.85Å; R91-R136 VanDerWaalsContact NH1-O 3.15Å; D134-R136 PolarHBondContact O-N 2.89Å; D134-R136 VanDerWaalsContact OD1-C 3.23Å; D134-R136 VanDerWaalsContact OD1-CA 3.28Å; D134-R136 WeakPolarHBondContact OD1-CA 3.38Å; D134-R136 WeakPolarHBondContact OD1-CB 3.35Å; D134-R136 PolarHBondContact OD1-N 3.49Å; R136-R138 VanDerWaalsContact C-N 3.31Å; R136-R138 HydrophobicContact CB-CG 4.41Å; R136-R187 PolarHBondContact NH2-O 3.46Å |
| 137 | F | 93.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 62.9 | 33.9 | -178.1 | -48.6 | -33.2 | 0 | 0 | 0 | 113.4 | R91 E94 L96 I111 M133 D134 | R91-F137 HydrophobicContact CB-CE2 4.19Å; E94-F137 HydrophobicContact CB-CE2 4.13Å; L96-F137 HydrophobicContact CB-CD1 3.5Å; L96-F137 VanDerWaalsContact CB-CD1 3.5Å; L96-F137 HydrophobicContact CB-CD2 4.23Å; L96-F137 HydrophobicContact CB-CE1 3.49Å; L96-F137 VanDerWaalsContact CB-CE1 3.49Å; L96-F137 HydrophobicContact CB-CE2 4.24Å; L96-F137 HydrophobicContact CB-CG 3.87Å; L96-F137 HydrophobicContact CB-CZ 3.87Å; L96-F137 HydrophobicContact CD1-CB 4.3Å; L96-F137 HydrophobicContact CD1-CG 4.46Å; L96-F137 HydrophobicContact CD2-CB 4.44Å; L96-F137 HydrophobicContact CD2-CD1 3.8Å; L96-F137 HydrophobicContact CD2-CE1 4.4Å; L96-F137 HydrophobicContact CD2-CG 4.35Å; L96-F137 HydrophobicContact CG-CD1 4.18Å; L96-F137 HydrophobicContact CG-CG 4.47Å; I111-F137 HydrophobicContact CD1-CB 3.81Å; I111-F137 HydrophobicContact CD1-CD2 4Å; I111-F137 HydrophobicContact CD1-CG 4.4Å; I111-F137 HydrophobicContact CG1-CB 4.09Å; I111-F137 HydrophobicContact CG1-CD2 3.82Å; I111-F137 HydrophobicContact CG1-CG 4.31Å; I111-F137 HydrophobicContact CG2-CD2 4.43Å; M133-F137 VanDerWaalsContact CE-C 3.46Å; M133-F137 WeakPolarHBondContact CE-O 3.31Å; D134-F137 WeakPolarHBondContact O-CA 3.41Å; D134-F137 PolarHBondContact O-N 2.94Å; D134-F137 PolarHBondContact OD1-N 3.36Å |
| 138 | R | 91.5 | Very high | 93.4 | Very high | 99 Ų | 99 | 36.7 Ų | 36.7 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | trans | -95.9 | 136.7 | 170.8 | -57.8 | 179.4 | -67.5 | 176.1 | -0.6 | 109.8 | M133 D134 R136 L140 S189 | M133-R138 WeakPolarHBondContact CA-O 3.38Å; D134-R138 PolarHBondContact N-O 3.03Å; D134-R138 WeakPolarHBondContact OD1-CB 3.37Å; D134-R138 PolarHBondContact OD1-N 3.49Å; D134-R138 IonicContact OD1-NE 2.98Å; D134-R138 IonicContact OD2-CZ 3.74Å; D134-R138 IonicContact OD2-NE 3.3Å; D134-R138 PolarHBondContact OD2-NE 3.47Å; D134-R138 IonicContact OD2-NH2 2.97Å; D134-R138 PolarHBondContact OD2-NH2 2.98Å; R136-R138 VanDerWaalsContact C-N 3.31Å; R136-R138 HydrophobicContact CB-CG 4.41Å; R138-L140 PolarHBondContact O-N 3.11Å; R138-S189 PolarHBondContact NH2-OG 3.33Å | ||
| 139 | L | 94.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 119 | 173.2 | -173.4 | 66.9 | 0 | 0 | 0 | 110.1 | F123 L131 M133 V142 A156 Y164 F166 | F123-L139 HydrophobicContact CB-CD2 4.33Å; F123-L139 HydrophobicContact CD1-CD2 3.9Å; F123-L139 HydrophobicContact CD2-CD2 4.03Å; F123-L139 HydrophobicContact CE1-CD2 4.2Å; F123-L139 HydrophobicContact CE2-CD2 4.35Å; F123-L139 HydrophobicContact CG-CD2 3.82Å; F123-L139 HydrophobicContact CZ-CD2 4.42Å; L131-L139 HydrophobicContact CB-CD1 3.84Å; L131-L139 HydrophobicContact CD2-CD1 4.26Å; M133-L139 HydrophobicContact CE-CB 4.48Å; M133-L139 VanDerWaalsContact SD-CA 3.54Å; M133-L139 HydrophobicContact SD-CB 3.84Å; M133-L139 HydrophobicContact SD-CD1 3.47Å; M133-L139 WeakPolarHBondContact SD-CD1 3.47Å; M133-L139 HydrophobicContact SD-CG 4.29Å; L139-V142 HydrophobicContact CD1-CG1 3.9Å; L139-V142 HydrophobicContact CD2-CG1 3.86Å; L139-V142 HydrophobicContact CG-CG1 4.16Å; L139-A156 HydrophobicContact CB-CB 4.35Å; L139-A156 HydrophobicContact CD2-CB 3.84Å; L139-A156 HydrophobicContact CG-CB 3.71Å; L139-Y164 HydrophobicContact CB-CE1 3.88Å; L139-Y164 HydrophobicContact CD2-CD1 4.29Å; L139-Y164 HydrophobicContact CD2-CD2 4.46Å; L139-Y164 HydrophobicContact CD2-CE1 4.31Å; L139-Y164 HydrophobicContact CD2-CE2 4.49Å; L139-Y164 HydrophobicContact CD2-CG 4.37Å; L139-F166 HydrophobicContact CD2-CE1 4.19Å |
| 140 | L | 94.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -48.4 | 178.2 | -62.2 | -175.4 | 0 | 0 | 0 | 111.8 | I132 D134 R138 A156 F182 I192 | I132-L140 PolarHBondContact O-N 2.85Å; D134-L140 HydrophobicContact CB-CD1 3.85Å; D134-L140 HydrophobicContact CB-CD2 4.09Å; D134-L140 HydrophobicContact CB-CG 3.97Å; R138-L140 PolarHBondContact O-N 3.11Å; L140-A156 PolarHBondContact O-N 3.4Å; L140-F182 HydrophobicContact CD1-CE2 4.46Å; L140-I192 HydrophobicContact CB-CD1 4.27Å; L140-I192 HydrophobicContact CD1-CD1 3.98Å; L140-I192 HydrophobicContact CD1-CG1 4.11Å |
| 141 | M | 95.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 159.6 | -176.1 | -66.3 | 179.6 | 76.4 | 0 | 0 | 111.1 | I132 Y153 Y154 V169 I192 W194 L210 | I132-M141 HydrophobicContact CB-CB 4.11Å; I132-M141 HydrophobicContact CD1-CB 3.92Å; I132-M141 HydrophobicContact CG1-CB 4.49Å; I132-M141 PolarHBondContact N-O 3.19Å; I132-M141 PolarHBondContact O-N 2.62Å; M141-Y153 HydrophobicContact CE-CD1 4.28Å; M141-Y153 HydrophobicContact CE-CG 4.48Å; M141-Y154 CarbonylContact C-O 3.54Å; M141-Y154 WeakPolarHBondContact CA-O 3Å; M141-Y154 WeakPolarHBondContact CB-O 3.43Å; M141-V169 HydrophobicContact CE-CB 4.32Å; M141-V169 HydrophobicContact CE-CG1 4.4Å; M141-V169 HydrophobicContact CE-CG2 4.14Å; M141-I192 HydrophobicContact CG-CD1 4.13Å; M141-I192 HydrophobicContact SD-CD1 3.61Å; M141-W194 HydrophobicContact SD-CH2 4.36Å; M141-W194 HydrophobicContact SD-CZ2 3.75Å; M141-L210 HydrophobicContact SD-CD2 4.25Å |
| 142 | V | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.7 | 173.3 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | F128 S130 L131 L139 Y154 F166 | F128-V142 HydrophobicContact CB-CB 4.11Å; F128-V142 HydrophobicContact CD1-CB 3.66Å; F128-V142 HydrophobicContact CD1-CG2 3.56Å; F128-V142 HydrophobicContact CD2-CB 3.92Å; F128-V142 HydrophobicContact CD2-CG1 4.05Å; F128-V142 HydrophobicContact CD2-CG2 4.06Å; F128-V142 HydrophobicContact CE1-CB 4Å; F128-V142 HydrophobicContact CE1-CG2 3.35Å; F128-V142 HydrophobicContact CE2-CB 4.24Å; F128-V142 HydrophobicContact CE2-CG1 4.37Å; F128-V142 HydrophobicContact CE2-CG2 3.86Å; F128-V142 HydrophobicContact CG-CB 3.62Å; F128-V142 HydrophobicContact CG-CG1 4.19Å; F128-V142 HydrophobicContact CG-CG2 3.92Å; F128-V142 HydrophobicContact CZ-CB 4.28Å; F128-V142 HydrophobicContact CZ-CG2 3.51Å; S130-V142 WeakPolarHBondContact O-CA 3.33Å; L131-V142 HydrophobicContact CD2-CB 4.22Å; L131-V142 HydrophobicContact CD2-CG1 3.51Å; L139-V142 HydrophobicContact CD1-CG1 3.9Å; L139-V142 HydrophobicContact CD2-CG1 3.86Å; L139-V142 HydrophobicContact CG-CG1 4.16Å; V142-Y154 HydrophobicContact CG2-CD2 4.25Å; V142-Y154 HydrophobicContact CG2-CG 4.44Å; V142-Y154 PolarHBondContact N-O 3.13Å; V142-Y154 PolarHBondContact O-N 2.79Å; V142-F166 HydrophobicContact CB-CE1 4.39Å; V142-F166 HydrophobicContact CG1-CD1 4.38Å; V142-F166 HydrophobicContact CG1-CE1 3.76Å; V142-F166 HydrophobicContact CG2-CD1 3.45Å; V142-F166 VanDerWaalsContact CG2-CD1 3.45Å; V142-F166 HydrophobicContact CG2-CE1 3.66Å; V142-F166 HydrophobicContact CG2-CG 4.24Å |
| 143 | A | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F128 S129 S130 T151 N152 Y153 | F128-A143 CarbonylContact C-O 3.52Å; F128-A143 VanDerWaalsContact CA-O 3.31Å; F128-A143 WeakPolarHBondContact CA-O 3.28Å; F128-A143 WeakPolarHBondContact CB-O 3.09Å; S129-A143 PolarHBondContact N-O 3.18Å; S129-A143 PolarHBondContact OG-O 3.07Å; S129-A143 VanDerWaalsContact OG-O 3.14Å; S130-A143 PolarHBondContact N-O 2.91Å; S130-A143 PolarHBondContact O-N 2.88Å; A143-T151 HydrophobicContact CB-CG2 3.9Å; A143-N152 VanDerWaalsContact CA-O 3.22Å; A143-N152 WeakPolarHBondContact CA-O 3.33Å; A143-Y153 HydrophobicContact CB-CD1 3.79Å; A143-Y153 HydrophobicContact CB-CE1 3.71Å; A143-Y153 HydrophobicContact CB-CG 4.31Å |
| 144 | N | 95.2 | Very high | 94.4 | Very high | 35 Ų | 35 | 37.4 Ų | 37.4 | 19% | 0.187 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 152.8 | 166 | 67.6 | -4.1 | 0 | 0 | 0 | 110 | F128 T151 N152 | F128-N144 HydrophobicContact CD1-CB 4.31Å; N144-T151 CarbonylContact O-C 3.6Å; N144-T151 VanDerWaalsContact O-CA 3.31Å; N144-T151 WeakPolarHBondContact O-CA 3.43Å; N144-N152 PolarHBondContact N-O 2.93Å; N144-N152 PolarHBondContact O-N 2.85Å; N144-N152 VanDerWaalsContact OD1-CB 3.3Å; N144-N152 WeakPolarHBondContact OD1-CB 3.49Å; N144-N152 PolarHBondContact OD1-ND2 2.88Å; N144-N152 PolarHBondContact OD1-O 3.49Å |
| 145 | V | 95.5 | Very high | 94.5 | Very high | 31 Ų | 31 | 40 Ų | 40 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.5 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 108 | M150 T151 L489 A490 V493 | V145-M150 CarbonylContact C-O 3.43Å; V145-M150 WeakPolarHBondContact CA-O 3.3Å; V145-T151 HydrophobicContact CG2-CG2 4.41Å; V145-L489 VanDerWaalsContact CB-O 3.3Å; V145-L489 WeakPolarHBondContact CB-O 3.32Å; V145-L489 WeakPolarHBondContact CG2-O 3.5Å; V145-A490 HydrophobicContact CG2-CB 4.39Å; V145-V493 HydrophobicContact CG1-CG2 3.75Å |
| 146 | S | 95.1 | Very high | 94.8 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 25% | 0.245 | 18% | 0.184 | C | C | . | . | trans | -79.9 | 167.5 | 173 | 48 | 0 | 0 | 0 | 0 | 111.4 | D148 G149 M150 | S146-D148 WeakPolarHBondContact CB-OD1 3.47Å; S146-D148 PolarHBondContact O-N 3.21Å; S146-D148 PolarHBondContact OG-OD1 2.79Å; S146-G149 PolarHBondContact O-N 2.99Å; S146-M150 PolarHBondContact N-O 2.8Å; S146-M150 WeakPolarHBondContact OG-CB 3.3Å; S146-M150 PolarHBondContact OG-N 3.18Å; S146-M150 PolarHBondContact OG-O 2.83Å | ||
| 147 | E | 92.8 | Very high | 94.9 | Very high | 145 Ų | 145 | 36.7 Ų | 36.7 | 68% | 0.678 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.9 | -176.1 | -169.5 | 176.7 | 172 | 0 | 0 | 113.4 | G149 G492 K495 | E147-G149 VanDerWaalsContact C-N 3.26Å; E147-G149 PolarHBondContact O-N 3.42Å; E147-G492 WeakPolarHBondContact O-CA 3.47Å; E147-K495 WeakPolarHBondContact O-CE 3.29Å; E147-K495 PolarHBondContact O-NZ 2.98Å; E147-K495 IonicContact OE1-NZ 2.88Å; E147-K495 PolarHBondContact OE1-NZ 3.31Å |
| 148 | D | 94 | Very high | 94.7 | Very high | 102 Ų | 102 | 42.1 Ų | 42.1 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 1.4 | 175.9 | 65.8 | -10.4 | 0 | 0 | 0 | 114 | S146 M150 V496 | S146-D148 WeakPolarHBondContact CB-OD1 3.47Å; S146-D148 PolarHBondContact O-N 3.21Å; S146-D148 PolarHBondContact OG-OD1 2.79Å; D148-M150 PolarHBondContact OD1-N 3.11Å; D148-V496 WeakPolarHBondContact O-CG2 3.34Å |
| 149 | G | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 83.1 | 7.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S146 E147 G492 | S146-G149 PolarHBondContact O-N 2.99Å; E147-G149 VanDerWaalsContact C-N 3.26Å; E147-G149 PolarHBondContact O-N 3.42Å; G149-G492 WeakPolarHBondContact CA-O 3.42Å |
| 150 | M | 97.7 | Very high | 94.5 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | trans | -70.7 | 150.2 | 165.6 | -58.9 | -73.9 | -165 | 0 | 0 | 110.2 | V145 S146 D148 T171 P173 | V145-M150 CarbonylContact C-O 3.43Å; V145-M150 WeakPolarHBondContact CA-O 3.3Å; S146-M150 PolarHBondContact N-O 2.8Å; S146-M150 WeakPolarHBondContact OG-CB 3.3Å; S146-M150 PolarHBondContact OG-N 3.18Å; S146-M150 PolarHBondContact OG-O 2.83Å; D148-M150 PolarHBondContact OD1-N 3.11Å; M150-T171 HydrophobicContact CB-CG2 3.67Å; M150-T171 HydrophobicContact CG-CG2 4.24Å; M150-T171 HydrophobicContact SD-CG2 4.4Å; M150-P173 WeakPolarHBondContact SD-CA 3.5Å; M150-P173 HydrophobicContact SD-CB 3.82Å | ||
| 151 | T | 97.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.7 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | A143 N144 V145 Y153 T171 L172 A177 | A143-T151 HydrophobicContact CB-CG2 3.9Å; N144-T151 CarbonylContact O-C 3.6Å; N144-T151 VanDerWaalsContact O-CA 3.31Å; N144-T151 WeakPolarHBondContact O-CA 3.43Å; V145-T151 HydrophobicContact CG2-CG2 4.41Å; T151-Y153 HydrophobicContact CG2-CD2 4.14Å; T151-Y153 HydrophobicContact CG2-CE2 3.44Å; T151-Y153 VanDerWaalsContact CG2-CE2 3.44Å; T151-T171 CarbonylContact O-C 3.12Å; T151-T171 WeakPolarHBondContact O-CA 3.37Å; T151-L172 PolarHBondContact N-O 3.34Å; T151-L172 PolarHBondContact O-N 2.79Å; T151-A177 HydrophobicContact CG2-CB 4.47Å; T151-A177 WeakPolarHBondContact OG1-CB 3.43Å |
| 152 | N | 97.4 | Very high | 93.5 | Very high | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.5 | 177.1 | -44.4 | -76.3 | 0 | 0 | 0 | 109.8 | A143 N144 Y154 F168 T171 | A143-N152 VanDerWaalsContact CA-O 3.22Å; A143-N152 WeakPolarHBondContact CA-O 3.33Å; N144-N152 PolarHBondContact N-O 2.93Å; N144-N152 PolarHBondContact O-N 2.85Å; N144-N152 VanDerWaalsContact OD1-CB 3.3Å; N144-N152 WeakPolarHBondContact OD1-CB 3.49Å; N144-N152 PolarHBondContact OD1-ND2 2.88Å; N144-N152 PolarHBondContact OD1-O 3.49Å; N152-Y154 HydrophobicContact CB-CE2 3.74Å; N152-F168 HydrophobicContact CB-CE2 4.2Å; N152-T171 VanDerWaalsContact OD1-CG2 3.3Å; N152-T171 WeakPolarHBondContact OD1-CG2 3.46Å; N152-T171 PolarHBondContact OD1-OG1 3.37Å |
| 153 | Y | 95.6 | Very high | 93.2 | Very high | 19 Ų | 19 | 66.8 Ų | 66.8 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.6 | 179.4 | -71.6 | -94.6 | 0 | 0 | 0 | 110.1 | M141 A143 T151 V169 K170 L172 L180 | M141-Y153 HydrophobicContact CE-CD1 4.28Å; M141-Y153 HydrophobicContact CE-CG 4.48Å; A143-Y153 HydrophobicContact CB-CD1 3.79Å; A143-Y153 HydrophobicContact CB-CE1 3.71Å; A143-Y153 HydrophobicContact CB-CG 4.31Å; T151-Y153 HydrophobicContact CG2-CD2 4.14Å; T151-Y153 HydrophobicContact CG2-CE2 3.44Å; T151-Y153 VanDerWaalsContact CG2-CE2 3.44Å; Y153-V169 PolarHBondContact O-N 2.88Å; Y153-K170 HydrophobicContact CD2-CG 4.34Å; Y153-K170 PolarHBondContact N-O 3.19Å; Y153-K170 PolarHBondContact O-N 3.12Å; Y153-L172 HydrophobicContact CD2-CD1 4.25Å; Y153-L172 HydrophobicContact CD2-CG 4.38Å; Y153-L172 HydrophobicContact CE2-CB 4.36Å; Y153-L172 HydrophobicContact CE2-CD1 3.75Å; Y153-L172 HydrophobicContact CE2-CG 4.16Å; Y153-L180 HydrophobicContact CE1-CD2 3.74Å; Y153-L180 HydrophobicContact CE2-CD2 4.12Å; Y153-L180 VanDerWaalsContact CZ-CD2 3.5Å; Y153-L180 WeakPolarHBondContact OH-CD2 3.38Å |
| 154 | Y | 95.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 68.6 Ų | 68.6 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.4 | 178.4 | -50.6 | -100.3 | 0 | 0 | 0 | 110.2 | F128 M141 V142 N152 F166 L167 F168 | F128-Y154 HydrophobicContact CE1-CD2 4.14Å; F128-Y154 HydrophobicContact CE1-CE2 4.42Å; M141-Y154 CarbonylContact C-O 3.54Å; M141-Y154 WeakPolarHBondContact CA-O 3Å; M141-Y154 WeakPolarHBondContact CB-O 3.43Å; V142-Y154 HydrophobicContact CG2-CD2 4.25Å; V142-Y154 HydrophobicContact CG2-CG 4.44Å; V142-Y154 PolarHBondContact N-O 3.13Å; V142-Y154 PolarHBondContact O-N 2.79Å; N152-Y154 HydrophobicContact CB-CE2 3.74Å; Y154-F166 HydrophobicContact CD1-CB 4.45Å; Y154-F166 HydrophobicContact CG-CB 4.41Å; Y154-L167 CarbonylContact C-O 3.58Å; Y154-L167 WeakPolarHBondContact CA-O 3.42Å; Y154-F168 HydrophobicContact CD1-CB 4.05Å; Y154-F168 HydrophobicContact CD1-CD2 4.44Å; Y154-F168 HydrophobicContact CE1-CB 4.08Å; Y154-F168 HydrophobicContact CE1-CD2 4Å |
| 155 | K | 93.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 70.9 Ų | 70.9 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.4 | 168.9 | -176.8 | -180 | 179.4 | -177.7 | 0 | 109.6 | I157 F166 L167 V169 L210 | K155-I157 HydrophobicContact CG-CG1 4.45Å; K155-F166 WeakPolarHBondContact O-CA 3.28Å; K155-L167 PolarHBondContact N-O 3.04Å; K155-L167 PolarHBondContact O-N 3.23Å; K155-V169 HydrophobicContact CB-CG2 3.83Å; K155-L210 PolarHBondContact NZ-O 2.79Å |
| 156 | A | 94.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 72.3 Ų | 72.3 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L139 L140 Y164 F166 | L139-A156 HydrophobicContact CB-CB 4.35Å; L139-A156 HydrophobicContact CD2-CB 3.84Å; L139-A156 HydrophobicContact CG-CB 3.71Å; L140-A156 PolarHBondContact O-N 3.4Å; A156-Y164 HydrophobicContact CB-CD1 3.87Å; A156-Y164 HydrophobicContact CB-CE1 4.4Å; A156-F166 HydrophobicContact CB-CD1 4.08Å; A156-F166 HydrophobicContact CB-CE1 3.83Å |
| 157 | I | 92.1 | Very high | 93.1 | Very high | 51 Ų | 51 | 74.3 Ų | 74.3 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 111.1 | 177.6 | -59.3 | -178.5 | 0 | 0 | 0 | 108.6 | K155 K159 Y164 E165 L167 | K155-I157 HydrophobicContact CG-CG1 4.45Å; I157-K159 HydrophobicContact CG2-CD 4.45Å; I157-K159 PolarHBondContact O-N 2.69Å; I157-Y164 CarbonylContact O-C 3.51Å; I157-Y164 WeakPolarHBondContact O-CA 3.47Å; I157-E165 PolarHBondContact N-O 3.45Å; I157-E165 PolarHBondContact O-N 3.24Å; I157-L167 HydrophobicContact CD1-CD1 3.35Å; I157-L167 HydrophobicContact CD1-CG 3.87Å |
| 158 | M | 90.1 | Very high | 93.2 | Very high | 117 Ų | 117 | 73 Ų | 73 | 58% | 0.576 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 118.5 | 176.5 | -168.5 | 172.1 | 63.2 | 0 | 0 | 110.1 | S160 R163 Y164 | M158-S160 VanDerWaalsContact CG-O 3.29Å; M158-S160 WeakPolarHBondContact CG-O 3.01Å; M158-R163 WeakPolarHBondContact CA-O 3.46Å; M158-Y164 HydrophobicContact CB-CD1 4.06Å; M158-Y164 HydrophobicContact CB-CE1 3.73Å; M158-Y164 HydrophobicContact CG-CE1 4.24Å |
| 159 | K | 91.9 | Very high | 93.1 | Very high | 131 Ų | 131 | 70.6 Ų | 70.6 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -36.4 | 177.6 | -64.8 | -64 | -178.5 | 172.4 | 0 | 112.3 | I157 R163 E165 | I157-K159 HydrophobicContact CG2-CD 4.45Å; I157-K159 PolarHBondContact O-N 2.69Å; K159-R163 PolarHBondContact N-O 2.94Å; K159-E165 WeakPolarHBondContact CE-OE2 3.45Å; K159-E165 HydrophobicContact CG-CB 4.08Å; K159-E165 IonicContact NZ-OE2 2.63Å; K159-E165 PolarHBondContact NZ-OE2 2.69Å |
| 160 | S | 88.9 | Confident | 93.1 | Very high | 60 Ų | 60 | 72 Ų | 72 | 42% | 0.42 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 177.8 | 172.9 | 64.8 | 0 | 0 | 0 | 0 | 109.3 | M158 L162 R163 | M158-S160 VanDerWaalsContact CG-O 3.29Å; M158-S160 WeakPolarHBondContact CG-O 3.01Å; S160-L162 PolarHBondContact O-N 3.33Å; S160-L162 VanDerWaalsContact O-N 3.09Å; S160-R163 PolarHBondContact N-O 3.15Å; S160-R163 PolarHBondContact O-N 3.48Å |
| 161 | M | 85.7 | Confident | 93.1 | Very high | 170 Ų | 170 | 71.4 Ų | 71.4 | 84% | 0.837 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 118.7 | -179.6 | -173.2 | -176.1 | -70.7 | 0 | 0 | 110.9 | R163 | M161-R163 PolarHBondContact O-N 3.04Å; M161-R163 VanDerWaalsContact O-N 3.15Å |
| 162 | L | 82.6 | Confident | 93.1 | Very high | 94 Ų | 94 | 71.3 Ų | 71.3 | 49% | 0.492 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 13.3 | -178.7 | -51.8 | 175.5 | 0 | 0 | 0 | 115.9 | R121 V122 S160 | R121-L162 VanDerWaalsContact O-CD2 3.22Å; R121-L162 WeakPolarHBondContact O-CD2 3.4Å; V122-L162 WeakPolarHBondContact O-CD2 3.34Å; S160-L162 PolarHBondContact O-N 3.33Å; S160-L162 VanDerWaalsContact O-N 3.09Å |
| 163 | R | 90.2 | Very high | 93.1 | Very high | 184 Ų | 184 | 72.4 Ų | 72.4 | 69% | 0.694 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.6 | 174.6 | -68.3 | -165.2 | -179.9 | -164.8 | 0.5 | 111.2 | M158 K159 S160 M161 | M158-R163 WeakPolarHBondContact CA-O 3.46Å; K159-R163 PolarHBondContact N-O 2.94Å; S160-R163 PolarHBondContact N-O 3.15Å; S160-R163 PolarHBondContact O-N 3.48Å; M161-R163 PolarHBondContact O-N 3.04Å; M161-R163 VanDerWaalsContact O-N 3.15Å |
| 164 | Y | 93.9 | Very high | 93.1 | Very high | 40 Ų | 40 | 71.7 Ų | 71.7 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 141.4 | -179.3 | -68.3 | -93.1 | 0 | 0 | 0 | 111.1 | F123 L139 A156 I157 M158 | F123-Y164 AromaticContact CD2-CD2 3.71Å; F123-Y164 HydrophobicContact CD2-CD2 3.71Å; F123-Y164 HydrophobicContact CD2-CE2 4.06Å; F123-Y164 HydrophobicContact CE2-CD2 4.19Å; L139-Y164 HydrophobicContact CB-CE1 3.88Å; L139-Y164 HydrophobicContact CD2-CD1 4.29Å; L139-Y164 HydrophobicContact CD2-CD2 4.46Å; L139-Y164 HydrophobicContact CD2-CE1 4.31Å; L139-Y164 HydrophobicContact CD2-CE2 4.49Å; L139-Y164 HydrophobicContact CD2-CG 4.37Å; A156-Y164 HydrophobicContact CB-CD1 3.87Å; A156-Y164 HydrophobicContact CB-CE1 4.4Å; I157-Y164 CarbonylContact O-C 3.51Å; I157-Y164 WeakPolarHBondContact O-CA 3.47Å; M158-Y164 HydrophobicContact CB-CD1 4.06Å; M158-Y164 HydrophobicContact CB-CE1 3.73Å; M158-Y164 HydrophobicContact CG-CE1 4.24Å |
| 165 | E | 94.9 | Very high | 93.2 | Very high | 82 Ų | 82 | 72 Ų | 72 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 143.1 | 157.9 | 179.7 | 180 | -146.3 | 0 | 0 | 108.4 | I157 K159 L167 | I157-E165 PolarHBondContact N-O 3.45Å; I157-E165 PolarHBondContact O-N 3.24Å; K159-E165 WeakPolarHBondContact CE-OE2 3.45Å; K159-E165 HydrophobicContact CG-CB 4.08Å; K159-E165 IonicContact NZ-OE2 2.63Å; K159-E165 PolarHBondContact NZ-OE2 2.69Å; E165-L167 HydrophobicContact CG-CD2 4.31Å |
| 166 | F | 95.5 | Very high | 93.4 | Very high | 62 Ų | 62 | 69.9 Ų | 69.9 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.6 | 179 | -61.3 | -69.8 | 0 | 0 | 0 | 109.9 | F123 F128 L139 V142 Y154 K155 A156 | F123-F166 HydrophobicContact CE2-CE2 4.34Å; F123-F166 AromaticContact CE2-CZ 3.65Å; F123-F166 HydrophobicContact CE2-CZ 3.65Å; F123-F166 HydrophobicContact CZ-CE1 4.47Å; F123-F166 HydrophobicContact CZ-CE2 4.26Å; F123-F166 AromaticContact CZ-CZ 3.55Å; F123-F166 HydrophobicContact CZ-CZ 3.55Å; F128-F166 HydrophobicContact CE2-CD2 4.18Å; F128-F166 HydrophobicContact CE2-CE1 4.14Å; F128-F166 AromaticContact CE2-CE2 3.76Å; F128-F166 HydrophobicContact CE2-CE2 3.76Å; F128-F166 AromaticContact CE2-CZ 3.74Å; F128-F166 HydrophobicContact CE2-CZ 3.74Å; F128-F166 HydrophobicContact CZ-CD1 4.31Å; F128-F166 AromaticContact CZ-CD2 3.95Å; F128-F166 HydrophobicContact CZ-CD2 3.95Å; F128-F166 HydrophobicContact CZ-CE1 4.37Å; F128-F166 HydrophobicContact CZ-CE2 4.02Å; F128-F166 HydrophobicContact CZ-CG 4.09Å; F128-F166 HydrophobicContact CZ-CZ 4.23Å; L139-F166 HydrophobicContact CD2-CE1 4.19Å; V142-F166 HydrophobicContact CB-CE1 4.39Å; V142-F166 HydrophobicContact CG1-CD1 4.38Å; V142-F166 HydrophobicContact CG1-CE1 3.76Å; V142-F166 HydrophobicContact CG2-CD1 3.45Å; V142-F166 VanDerWaalsContact CG2-CD1 3.45Å; V142-F166 HydrophobicContact CG2-CE1 3.66Å; V142-F166 HydrophobicContact CG2-CG 4.24Å; Y154-F166 HydrophobicContact CD1-CB 4.45Å; Y154-F166 HydrophobicContact CG-CB 4.41Å; K155-F166 WeakPolarHBondContact O-CA 3.28Å; A156-F166 HydrophobicContact CB-CD1 4.08Å; A156-F166 HydrophobicContact CB-CE1 3.83Å |
| 167 | L | 94.4 | Very high | 93.5 | Very high | 77 Ų | 77 | 70 Ų | 70 | 40% | 0.403 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.2 | 175.6 | -62.9 | -175.3 | 0 | 0 | 0 | 109.5 | Y154 K155 I157 E165 V169 | Y154-L167 CarbonylContact C-O 3.58Å; Y154-L167 WeakPolarHBondContact CA-O 3.42Å; K155-L167 PolarHBondContact N-O 3.04Å; K155-L167 PolarHBondContact O-N 3.23Å; I157-L167 HydrophobicContact CD1-CD1 3.35Å; I157-L167 HydrophobicContact CD1-CG 3.87Å; E165-L167 HydrophobicContact CG-CD2 4.31Å; L167-V169 PolarHBondContact O-N 3.03Å |
| 168 | F | 95.2 | Very high | 93.6 | Very high | 118 Ų | 118 | 70.7 Ų | 70.7 | 52% | 0.518 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 136.6 | 175.3 | 176 | -97.9 | 0 | 0 | 0 | 111.1 | N152 Y154 T171 | N152-F168 HydrophobicContact CB-CE2 4.2Å; Y154-F168 HydrophobicContact CD1-CB 4.05Å; Y154-F168 HydrophobicContact CD1-CD2 4.44Å; Y154-F168 HydrophobicContact CE1-CB 4.08Å; Y154-F168 HydrophobicContact CE1-CD2 4Å; F168-T171 VanDerWaalsContact CE2-OG1 3.3Å; F168-T171 WeakPolarHBondContact CE2-OG1 3.38Å; F168-T171 WeakPolarHBondContact CZ-OG1 3.35Å |
| 169 | V | 93 | Very high | 93.9 | Very high | 51 Ų | 51 | 65.7 Ų | 65.7 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -61.2 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | M141 Y153 K155 L167 | M141-V169 HydrophobicContact CE-CB 4.32Å; M141-V169 HydrophobicContact CE-CG1 4.4Å; M141-V169 HydrophobicContact CE-CG2 4.14Å; Y153-V169 PolarHBondContact O-N 2.88Å; K155-V169 HydrophobicContact CB-CG2 3.83Å; L167-V169 PolarHBondContact O-N 3.03Å |
| 170 | K | 94.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 163.3 | -174.9 | 67.8 | -177.7 | 98.8 | 179.1 | 0 | 111.9 | Y153 L172 E198 E208 | Y153-K170 HydrophobicContact CD2-CG 4.34Å; Y153-K170 PolarHBondContact N-O 3.19Å; Y153-K170 PolarHBondContact O-N 3.12Å; K170-L172 HydrophobicContact CD-CD1 4.37Å; K170-L172 HydrophobicContact CD-CD2 4.12Å; K170-L172 HydrophobicContact CD-CG 4.25Å; K170-L172 HydrophobicContact CG-CG 4.39Å; K170-E198 IonicContact NZ-OE1 2.7Å; K170-E198 IonicContact NZ-OE2 2.7Å; K170-E198 PolarHBondContact NZ-OE2 3.18Å; K170-E198 VanDerWaalsContact NZ-OE2 3.17Å; K170-E208 VanDerWaalsContact CE-OE1 3.29Å; K170-E208 WeakPolarHBondContact CE-OE1 3.46Å; K170-E208 IonicContact NZ-OE1 3.38Å; K170-E208 PolarHBondContact NZ-OE1 3.1Å; K170-E208 IonicContact NZ-OE2 3.82Å; K170-E208 PolarHBondContact NZ-OE2 3.4Å |
| 171 | T | 97.3 | Very high | 94.4 | Very high | 60 Ų | 60 | 62.7 Ų | 62.7 | 37% | 0.368 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.5 | 170.6 | -60.2 | 0 | 0 | 0 | 0 | 108.7 | M150 T151 N152 F168 | M150-T171 HydrophobicContact CB-CG2 3.67Å; M150-T171 HydrophobicContact CG-CG2 4.24Å; M150-T171 HydrophobicContact SD-CG2 4.4Å; T151-T171 CarbonylContact O-C 3.12Å; T151-T171 WeakPolarHBondContact O-CA 3.37Å; N152-T171 VanDerWaalsContact OD1-CG2 3.3Å; N152-T171 WeakPolarHBondContact OD1-CG2 3.46Å; N152-T171 PolarHBondContact OD1-OG1 3.37Å; F168-T171 VanDerWaalsContact CE2-OG1 3.3Å; F168-T171 WeakPolarHBondContact CE2-OG1 3.38Å; F168-T171 WeakPolarHBondContact CZ-OG1 3.35Å |
| 172 | L | 97.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137 | -179.9 | -62.7 | -179.8 | 0 | 0 | 0 | 111 | T151 Y153 K170 V176 A177 L180 E198 | T151-L172 PolarHBondContact N-O 3.34Å; T151-L172 PolarHBondContact O-N 2.79Å; Y153-L172 HydrophobicContact CD2-CD1 4.25Å; Y153-L172 HydrophobicContact CD2-CG 4.38Å; Y153-L172 HydrophobicContact CE2-CB 4.36Å; Y153-L172 HydrophobicContact CE2-CD1 3.75Å; Y153-L172 HydrophobicContact CE2-CG 4.16Å; K170-L172 HydrophobicContact CD-CD1 4.37Å; K170-L172 HydrophobicContact CD-CD2 4.12Å; K170-L172 HydrophobicContact CD-CG 4.25Å; K170-L172 HydrophobicContact CG-CG 4.39Å; L172-V176 HydrophobicContact CB-CB 4.45Å; L172-V176 HydrophobicContact CD1-CG1 4.16Å; L172-V176 HydrophobicContact CD2-CG1 4.12Å; L172-A177 HydrophobicContact CB-CB 4.12Å; L172-L180 HydrophobicContact CD1-CD2 3.93Å; L172-E198 HydrophobicContact CD2-CG 3.98Å |
| 173 | P | 97.7 | Very high | 95.4 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 32% | 0.318 | 26% | 0.259 | S | S | . | . | trans | -68.8 | 156.8 | 171.4 | 30.8 | -35.2 | 0 | 0 | 0 | 111.1 | M150 K175 V176 A177 | M150-P173 WeakPolarHBondContact SD-CA 3.5Å; M150-P173 HydrophobicContact SD-CB 3.82Å; P173-K175 VanDerWaalsContact C-N 3.26Å; P173-K175 HydrophobicContact CG-CG 4.47Å; P173-K175 PolarHBondContact O-N 3Å; P173-K175 VanDerWaalsContact O-N 3.1Å; P173-V176 HydrophobicContact CG-CB 4.3Å; P173-V176 HydrophobicContact CG-CG2 3.9Å; P173-V176 PolarHBondContact O-N 2.91Å; P173-A177 PolarHBondContact O-N 3.31Å | ||
| 174 | A | 97.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -48 | -43.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V176 A177 M178 F412 V493 V496 | A174-V176 PolarHBondContact O-N 2.82Å; A174-A177 PolarHBondContact O-N 3.14Å; A174-M178 VanDerWaalsContact O-CB 3.27Å; A174-M178 WeakPolarHBondContact O-CB 3.32Å; A174-M178 WeakPolarHBondContact O-CG 3.36Å; A174-M178 PolarHBondContact O-N 3.03Å; A174-F412 HydrophobicContact CB-CE2 4.4Å; A174-V493 HydrophobicContact CB-CG1 4.36Å; A174-V493 HydrophobicContact CB-CG2 4.2Å; A174-V496 HydrophobicContact CB-CB 4.23Å; A174-V496 HydrophobicContact CB-CG1 4Å; A174-V496 HydrophobicContact CB-CG2 4.4Å |
| 175 | K | 96.7 | Very high | 95.5 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 26% | 0.261 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -24.3 | -179.9 | 67.8 | 174.5 | 179.3 | 170.5 | 0 | 115 | P173 T179 K405 E406 A409 F412 | P173-K175 VanDerWaalsContact C-N 3.26Å; P173-K175 HydrophobicContact CG-CG 4.47Å; P173-K175 PolarHBondContact O-N 3Å; P173-K175 VanDerWaalsContact O-N 3.1Å; K175-T179 PolarHBondContact O-OG1 2.93Å; K175-K405 HydrophobicContact CD-CD 4.48Å; K175-K405 WeakPolarHBondContact O-CB 3.2Å; K175-E406 VanDerWaalsContact NZ-CD 3.26Å; K175-E406 IonicContact NZ-OE1 3.13Å; K175-E406 PolarHBondContact NZ-OE1 2.99Å; K175-E406 IonicContact NZ-OE2 2.65Å; K175-E406 PolarHBondContact NZ-OE2 2.8Å; K175-A409 HydrophobicContact CB-CB 3.79Å; K175-A409 HydrophobicContact CD-CB 3.72Å; K175-A409 HydrophobicContact CG-CB 4.42Å; K175-F412 HydrophobicContact CB-CE2 3.82Å; K175-F412 HydrophobicContact CB-CZ 4.29Å |
| 176 | V | 97.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -97.1 | -39.3 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | L172 P173 A174 M178 T179 L180 E198 K405 | L172-V176 HydrophobicContact CB-CB 4.45Å; L172-V176 HydrophobicContact CD1-CG1 4.16Å; L172-V176 HydrophobicContact CD2-CG1 4.12Å; P173-V176 HydrophobicContact CG-CB 4.3Å; P173-V176 HydrophobicContact CG-CG2 3.9Å; P173-V176 PolarHBondContact O-N 2.91Å; A174-V176 PolarHBondContact O-N 2.82Å; V176-M178 VanDerWaalsContact C-N 3.32Å; V176-M178 PolarHBondContact O-N 2.89Å; V176-T179 PolarHBondContact O-N 3.24Å; V176-T179 PolarHBondContact O-OG1 3.48Å; V176-L180 PolarHBondContact O-N 2.94Å; V176-E198 HydrophobicContact CG1-CB 3.8Å; V176-E198 HydrophobicContact CG1-CG 4.3Å; V176-K405 HydrophobicContact CG2-CD 3.86Å |
| 177 | A | 96.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -35 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T151 L172 P173 A174 T179 L180 | T151-A177 HydrophobicContact CG2-CB 4.47Å; T151-A177 WeakPolarHBondContact OG1-CB 3.43Å; L172-A177 HydrophobicContact CB-CB 4.12Å; P173-A177 PolarHBondContact O-N 3.31Å; A174-A177 PolarHBondContact O-N 3.14Å; A177-T179 PolarHBondContact O-N 3.47Å; A177-L180 PolarHBondContact O-N 2.86Å |
| 178 | M | 94.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 44.9 Ų | 44.9 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -15.8 | 178 | -73.3 | 178.3 | 65.8 | 0 | 0 | 114.1 | A174 V176 N371 L408 F412 V493 R497 | A174-M178 VanDerWaalsContact O-CB 3.27Å; A174-M178 WeakPolarHBondContact O-CB 3.32Å; A174-M178 WeakPolarHBondContact O-CG 3.36Å; A174-M178 PolarHBondContact O-N 3.03Å; V176-M178 VanDerWaalsContact C-N 3.32Å; V176-M178 PolarHBondContact O-N 2.89Å; M178-N371 HydrophobicContact CE-CB 3.99Å; M178-L408 HydrophobicContact CB-CD2 4.21Å; M178-F412 HydrophobicContact SD-CE1 4.24Å; M178-F412 HydrophobicContact SD-CZ 3.85Å; M178-V493 HydrophobicContact CG-CG1 3.96Å; M178-V493 HydrophobicContact SD-CG1 3.65Å; M178-R497 HydrophobicContact CE-CG 4.46Å; M178-R497 HydrophobicContact SD-CG 4.16Å |
| 179 | T | 95.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 4 | -179.8 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | K175 V176 A177 S197 I203 L408 | K175-T179 PolarHBondContact O-OG1 2.93Å; V176-T179 PolarHBondContact O-N 3.24Å; V176-T179 PolarHBondContact O-OG1 3.48Å; A177-T179 PolarHBondContact O-N 3.47Å; T179-S197 PolarHBondContact OG1-OG 2.89Å; T179-I203 HydrophobicContact CG2-CD1 3.97Å; T179-I203 HydrophobicContact CG2-CG1 4.28Å; T179-L408 HydrophobicContact CG2-CD2 3.59Å |
| 180 | L | 96.2 | Very high | 94.1 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | trans | -87.2 | 121.7 | 175 | -170.5 | 74.6 | 0 | 0 | 0 | 109.8 | Y153 L172 V176 A177 W194 K195 S196 | Y153-L180 HydrophobicContact CE1-CD2 3.74Å; Y153-L180 HydrophobicContact CE2-CD2 4.12Å; Y153-L180 VanDerWaalsContact CZ-CD2 3.5Å; Y153-L180 WeakPolarHBondContact OH-CD2 3.38Å; L172-L180 HydrophobicContact CD1-CD2 3.93Å; V176-L180 PolarHBondContact O-N 2.94Å; A177-L180 PolarHBondContact O-N 2.86Å; L180-W194 HydrophobicContact CD1-CB 4.01Å; L180-W194 HydrophobicContact CD1-CD2 4.06Å; L180-W194 HydrophobicContact CD1-CE3 4.01Å; L180-W194 HydrophobicContact CD1-CG 4.09Å; L180-W194 HydrophobicContact CD2-CE3 4.18Å; L180-W194 HydrophobicContact CD2-CZ3 4.2Å; L180-W194 HydrophobicContact CG-CD2 4.37Å; L180-W194 HydrophobicContact CG-CE3 3.85Å; L180-W194 HydrophobicContact CG-CZ3 4.24Å; L180-K195 CarbonylContact C-O 3.57Å; L180-K195 WeakPolarHBondContact CA-O 3.43Å; L180-S196 WeakPolarHBondContact CD1-OG 3.29Å | ||
| 181 | E | 95.7 | Very high | 94.1 | Very high | 102 Ų | 102 | 42.6 Ų | 42.6 | 48% | 0.477 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.7 | 179.4 | -179.4 | -172.4 | 144.6 | 0 | 0 | 110.5 | V183 W194 K195 | E181-V183 PolarHBondContact O-N 2.88Å; E181-W194 CarbonylContact O-C 3.48Å; E181-W194 WeakPolarHBondContact O-CA 3.22Å; E181-K195 HydrophobicContact CB-CB 4.09Å; E181-K195 PolarHBondContact N-O 3.23Å; E181-K195 PolarHBondContact O-N 2.95Å; E181-K195 WeakPolarHBondContact OE1-CE 3.21Å; E181-K195 IonicContact OE1-NZ 3.13Å; E181-K195 PolarHBondContact OE1-NZ 2.92Å; E181-K195 WeakPolarHBondContact OE2-CE 3.22Å; E181-K195 IonicContact OE2-NZ 3.24Å; E181-K195 PolarHBondContact OE2-NZ 3.13Å |
| 182 | F | 94.9 | Very high | 94 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 125.2 | 174.6 | 174.1 | -100.4 | 0 | 0 | 0 | 109.7 | I132 L140 I192 W194 | I132-F182 HydrophobicContact CG2-CB 4.26Å; I132-F182 HydrophobicContact CG2-CD1 4.41Å; I132-F182 HydrophobicContact CG2-CD2 3.34Å; I132-F182 HydrophobicContact CG2-CE2 3.64Å; I132-F182 HydrophobicContact CG2-CG 3.75Å; I132-F182 HydrophobicContact CG2-CZ 4.3Å; L140-F182 HydrophobicContact CD1-CE2 4.46Å; F182-I192 HydrophobicContact CD2-CG2 3.58Å; F182-I192 HydrophobicContact CE2-CG2 3.68Å; F182-W194 HydrophobicContact CB-CE3 4.06Å; F182-W194 HydrophobicContact CB-CH2 4.4Å; F182-W194 HydrophobicContact CB-CZ3 3.64Å; F182-W194 HydrophobicContact CD2-CH2 4.38Å; F182-W194 HydrophobicContact CD2-CZ3 4.28Å; F182-W194 HydrophobicContact CG-CZ3 4.48Å |
| 183 | V | 94.7 | Very high | 93.9 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -61.8 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | E181 Y193 K195 L205 I229 F231 F238 | E181-V183 PolarHBondContact O-N 2.88Å; V183-Y193 WeakPolarHBondContact CB-O 3.34Å; V183-Y193 PolarHBondContact N-O 2.84Å; V183-K195 HydrophobicContact CG2-CB 4.36Å; V183-K195 HydrophobicContact CG2-CG 4.06Å; V183-L205 HydrophobicContact CG2-CD1 4.17Å; V183-I229 HydrophobicContact CG1-CD1 4.27Å; V183-I229 HydrophobicContact CG2-CD1 3.99Å; V183-F231 HydrophobicContact CG1-CD1 4.13Å; V183-F231 HydrophobicContact CG1-CE1 3.75Å; V183-F231 HydrophobicContact CG1-CZ 4.19Å; V183-F238 HydrophobicContact CG1-CE1 3.94Å; V183-F238 HydrophobicContact CG1-CZ 4.5Å |
| 184 | V | 93.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 163.5 | -178.3 | 67.4 | 0 | 0 | 0 | 0 | 109.8 | Y193 F231 A236 F238 | V184-Y193 HydrophobicContact CG1-CD2 3.81Å; V184-Y193 HydrophobicContact CG1-CG 4.26Å; V184-Y193 PolarHBondContact O-N 3.46Å; V184-F231 HydrophobicContact CB-CD2 4.42Å; V184-F231 HydrophobicContact CB-CE2 3.74Å; V184-F231 HydrophobicContact CB-CZ 4.12Å; V184-F231 HydrophobicContact CG1-CD2 4.21Å; V184-F231 HydrophobicContact CG1-CE2 4.02Å; V184-F231 HydrophobicContact CG2-CE2 3.88Å; V184-A236 HydrophobicContact CG1-CB 3.79Å; V184-A236 HydrophobicContact CG2-CB 4.28Å; V184-F238 HydrophobicContact CG1-CE1 4.42Å; V184-F238 HydrophobicContact CG1-CZ 3.98Å |
| 185 | S | 92.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 154.2 | 169.3 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | D134 R191 | D134-S185 WeakPolarHBondContact CB-OG 3.3Å; S185-R191 WeakPolarHBondContact CA-O 3.5Å |
| 186 | S | 91.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | trans | -61.7 | 155.9 | 169.3 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | D188 S189 T190 R191 | S186-D188 VanDerWaalsContact CB-OD1 3.3Å; S186-D188 WeakPolarHBondContact CB-OD1 3.48Å; S186-D188 PolarHBondContact O-N 3.21Å; S186-D188 VanDerWaalsContact O-N 3.15Å; S186-D188 PolarHBondContact OG-OD1 3.1Å; S186-S189 VanDerWaalsContact O-CA 3.31Å; S186-S189 WeakPolarHBondContact O-CA 3.17Å; S186-S189 PolarHBondContact O-N 3.1Å; S186-T190 PolarHBondContact OG-N 2.92Å; S186-R191 PolarHBondContact N-O 3.48Å; S186-R191 PolarHBondContact OG-N 3.4Å | ||
| 187 | R | 85.6 | Confident | 93.9 | Very high | 155 Ų | 155 | 35.8 Ų | 35.8 | 59% | 0.585 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -31.4 | -177.3 | -175.6 | 178.3 | -179.7 | -167.8 | -0.5 | 114.5 | W90 R136 S189 | W90-R187 VanDerWaalsContact CH2-CZ 3.49Å; W90-R187 HydrophobicContact CZ2-CG 4.08Å; R136-R187 PolarHBondContact NH2-O 3.46Å; R187-S189 VanDerWaalsContact C-N 3.33Å |
| 188 | D | 88.2 | Confident | 93.9 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 47% | 0.471 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -3.2 | 175.6 | 64 | -11.4 | 0 | 0 | 0 | 112.9 | S186 T190 | S186-D188 VanDerWaalsContact CB-OD1 3.3Å; S186-D188 WeakPolarHBondContact CB-OD1 3.48Å; S186-D188 PolarHBondContact O-N 3.21Å; S186-D188 VanDerWaalsContact O-N 3.15Å; S186-D188 PolarHBondContact OG-OD1 3.1Å; D188-T190 HydrophobicContact CB-CG2 4.18Å; D188-T190 PolarHBondContact O-N 3.31Å; D188-T190 PolarHBondContact OD1-N 2.95Å; D188-T190 PolarHBondContact OD1-OG1 3.42Å; D188-T190 VanDerWaalsContact OD2-CG2 3.26Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.35Å; D188-T190 PolarHBondContact OD2-OG1 3.33Å |
| 189 | S | 88.4 | Confident | 93.8 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 52.6 | 37.5 | -175.8 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | D134 R138 S186 R187 | D134-S189 PolarHBondContact OD2-OG 2.79Å; R138-S189 PolarHBondContact NH2-OG 3.33Å; S186-S189 VanDerWaalsContact O-CA 3.31Å; S186-S189 WeakPolarHBondContact O-CA 3.17Å; S186-S189 PolarHBondContact O-N 3.1Å; R187-S189 VanDerWaalsContact C-N 3.33Å |
| 190 | T | 90 | Very high | 93.8 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 34% | 0.337 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -94.3 | -15.3 | 171.8 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | S186 D188 L210 | S186-T190 PolarHBondContact OG-N 2.92Å; D188-T190 HydrophobicContact CB-CG2 4.18Å; D188-T190 PolarHBondContact O-N 3.31Å; D188-T190 PolarHBondContact OD1-N 2.95Å; D188-T190 PolarHBondContact OD1-OG1 3.42Å; D188-T190 VanDerWaalsContact OD2-CG2 3.26Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.35Å; D188-T190 PolarHBondContact OD2-OG1 3.33Å; T190-L210 WeakPolarHBondContact O-CB 3.34Å; T190-L210 PolarHBondContact O-N 2.86Å |
| 191 | R | 93.1 | Very high | 93.8 | Very high | 76 Ų | 76 | 41.8 Ų | 41.8 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.1 | 178.9 | -55.9 | 179.6 | -77.5 | -77.4 | 8.1 | 111.4 | S185 S186 Y193 E207 E208 | S185-R191 WeakPolarHBondContact CA-O 3.5Å; S186-R191 PolarHBondContact N-O 3.48Å; S186-R191 PolarHBondContact OG-N 3.4Å; R191-Y193 HydrophobicContact CB-CE2 4.41Å; R191-Y193 PolarHBondContact NE-OH 3.15Å; R191-E207 HydrophobicContact CB-CG 4.4Å; R191-E207 WeakPolarHBondContact CD-OE1 3.37Å; R191-E207 IonicContact NE-OE1 3.67Å; R191-E208 CarbonylContact C-O 3.12Å; R191-E208 VanDerWaalsContact CA-O 3.3Å; R191-E208 WeakPolarHBondContact CA-O 3.06Å |
| 192 | I | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.8 | 169.5 | -61.5 | -177.3 | 0 | 0 | 0 | 108.7 | L140 M141 F182 W194 E208 L210 | L140-I192 HydrophobicContact CB-CD1 4.27Å; L140-I192 HydrophobicContact CD1-CD1 3.98Å; L140-I192 HydrophobicContact CD1-CG1 4.11Å; M141-I192 HydrophobicContact CG-CD1 4.13Å; M141-I192 HydrophobicContact SD-CD1 3.61Å; F182-I192 HydrophobicContact CD2-CG2 3.58Å; F182-I192 HydrophobicContact CE2-CG2 3.68Å; I192-W194 HydrophobicContact CB-CZ2 4.34Å; I192-W194 HydrophobicContact CD1-CZ2 4.04Å; I192-W194 HydrophobicContact CG2-CD2 3.81Å; I192-W194 HydrophobicContact CG2-CE3 4.47Å; I192-W194 HydrophobicContact CG2-CG 4.21Å; I192-W194 HydrophobicContact CG2-CH2 4.24Å; I192-W194 HydrophobicContact CG2-CZ2 3.54Å; I192-E208 PolarHBondContact N-O 3.04Å; I192-E208 PolarHBondContact O-N 3.43Å; I192-L210 HydrophobicContact CD1-CD1 3.99Å; I192-L210 HydrophobicContact CD1-CD2 3.71Å; I192-L210 HydrophobicContact CD1-CG 4.17Å; I192-L210 HydrophobicContact CG1-CD1 3.92Å; I192-L210 HydrophobicContact CG1-CD2 4.06Å; I192-L210 HydrophobicContact CG1-CG 4.04Å |
| 193 | Y | 96.3 | Very high | 94 | Very high | 18 Ų | 18 | 37.6 Ų | 37.6 | 7% | 0.071 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.7 | 172.3 | -61.4 | -84.2 | 0 | 0 | 0 | 109.8 | V183 V184 R191 V206 E207 I218 A236 F238 | V183-Y193 WeakPolarHBondContact CB-O 3.34Å; V183-Y193 PolarHBondContact N-O 2.84Å; V184-Y193 HydrophobicContact CG1-CD2 3.81Å; V184-Y193 HydrophobicContact CG1-CG 4.26Å; V184-Y193 PolarHBondContact O-N 3.46Å; R191-Y193 HydrophobicContact CB-CE2 4.41Å; R191-Y193 PolarHBondContact NE-OH 3.15Å; Y193-V206 CarbonylContact C-O 3.51Å; Y193-V206 VanDerWaalsContact CA-O 3.28Å; Y193-V206 WeakPolarHBondContact CA-O 3.49Å; Y193-E207 HydrophobicContact CD1-CB 4.01Å; Y193-E207 HydrophobicContact CD1-CG 4.28Å; Y193-E207 HydrophobicContact CE1-CB 3.75Å; Y193-E207 HydrophobicContact CE1-CG 3.67Å; Y193-E207 WeakPolarHBondContact CE1-OE2 3.48Å; Y193-E207 PolarHBondContact OH-OE2 2.86Å; Y193-I218 HydrophobicContact CD1-CD1 3.73Å; Y193-I218 HydrophobicContact CE1-CD1 3.86Å; Y193-A236 HydrophobicContact CD2-CB 4.48Å; Y193-A236 HydrophobicContact CE2-CB 4.18Å; Y193-F238 AromaticContact CD1-CE2 3.36Å; Y193-F238 HydrophobicContact CD1-CE2 3.36Å; Y193-F238 AromaticContact CD1-CZ 3.65Å; Y193-F238 HydrophobicContact CD1-CZ 3.65Å; Y193-F238 HydrophobicContact CD2-CE2 4.22Å; Y193-F238 HydrophobicContact CD2-CZ 4.12Å; Y193-F238 AromaticContact CE1-CE2 3.64Å; Y193-F238 HydrophobicContact CE1-CE2 3.64Å; Y193-F238 HydrophobicContact CE1-CZ 4.34Å; Y193-F238 HydrophobicContact CE2-CE2 4.46Å; Y193-F238 AromaticContact CG-CE2 3.68Å; Y193-F238 HydrophobicContact CG-CE2 3.68Å; Y193-F238 AromaticContact CG-CZ 3.51Å; Y193-F238 HydrophobicContact CG-CZ 3.51Å |
| 194 | W | 96.5 | Very high | 94.2 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144 | -177.5 | -58.4 | 104.7 | 0 | 0 | 0 | 111.1 | I132 M141 L180 E181 F182 I192 L205 V206 E208 | I132-W194 HydrophobicContact CD1-CH2 4.37Å; I132-W194 HydrophobicContact CG1-CH2 3.98Å; I132-W194 HydrophobicContact CG1-CZ3 4.43Å; I132-W194 HydrophobicContact CG2-CH2 4.28Å; M141-W194 HydrophobicContact SD-CH2 4.36Å; M141-W194 HydrophobicContact SD-CZ2 3.75Å; L180-W194 HydrophobicContact CD1-CB 4.01Å; L180-W194 HydrophobicContact CD1-CD2 4.06Å; L180-W194 HydrophobicContact CD1-CE3 4.01Å; L180-W194 HydrophobicContact CD1-CG 4.09Å; L180-W194 HydrophobicContact CD2-CE3 4.18Å; L180-W194 HydrophobicContact CD2-CZ3 4.2Å; L180-W194 HydrophobicContact CG-CD2 4.37Å; L180-W194 HydrophobicContact CG-CE3 3.85Å; L180-W194 HydrophobicContact CG-CZ3 4.24Å; E181-W194 CarbonylContact O-C 3.48Å; E181-W194 WeakPolarHBondContact O-CA 3.22Å; F182-W194 HydrophobicContact CB-CE3 4.06Å; F182-W194 HydrophobicContact CB-CH2 4.4Å; F182-W194 HydrophobicContact CB-CZ3 3.64Å; F182-W194 HydrophobicContact CD2-CH2 4.38Å; F182-W194 HydrophobicContact CD2-CZ3 4.28Å; F182-W194 HydrophobicContact CG-CZ3 4.48Å; I192-W194 HydrophobicContact CB-CZ2 4.34Å; I192-W194 HydrophobicContact CD1-CZ2 4.04Å; I192-W194 HydrophobicContact CG2-CD2 3.81Å; I192-W194 HydrophobicContact CG2-CE3 4.47Å; I192-W194 HydrophobicContact CG2-CG 4.21Å; I192-W194 HydrophobicContact CG2-CH2 4.24Å; I192-W194 HydrophobicContact CG2-CZ2 3.54Å; W194-L205 CarbonylContact O-C 3.56Å; W194-L205 WeakPolarHBondContact O-CA 3.42Å; W194-L205 WeakPolarHBondContact O-CD1 3.4Å; W194-V206 PolarHBondContact N-O 2.92Å; W194-V206 PolarHBondContact O-N 2.84Å; W194-E208 PolarHBondContact NE1-OE2 3.28Å |
| 195 | K | 97.8 | Very high | 94.4 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.096 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.2 | 147.2 | -88.2 | -172.7 | -70.5 | 169.6 | 0 | 106.8 | L180 E181 V183 I203 A204 I226 I229 | L180-K195 CarbonylContact C-O 3.57Å; L180-K195 WeakPolarHBondContact CA-O 3.43Å; E181-K195 HydrophobicContact CB-CB 4.09Å; E181-K195 PolarHBondContact N-O 3.23Å; E181-K195 PolarHBondContact O-N 2.95Å; E181-K195 WeakPolarHBondContact OE1-CE 3.21Å; E181-K195 IonicContact OE1-NZ 3.13Å; E181-K195 PolarHBondContact OE1-NZ 2.92Å; E181-K195 WeakPolarHBondContact OE2-CE 3.22Å; E181-K195 IonicContact OE2-NZ 3.24Å; E181-K195 PolarHBondContact OE2-NZ 3.13Å; V183-K195 HydrophobicContact CG2-CB 4.36Å; V183-K195 HydrophobicContact CG2-CG 4.06Å; K195-I203 HydrophobicContact CB-CG2 3.53Å; K195-I203 HydrophobicContact CD-CG2 4.29Å; K195-I203 HydrophobicContact CG-CG2 3.95Å; K195-A204 CarbonylContact C-O 3.45Å; K195-A204 WeakPolarHBondContact CA-O 3.46Å; K195-I226 HydrophobicContact CD-CB 4.36Å; K195-I226 HydrophobicContact CD-CG2 4.03Å; K195-I226 HydrophobicContact CG-CG2 4.4Å; K195-I229 HydrophobicContact CD-CD1 4.11Å; K195-I229 HydrophobicContact CG-CD1 3.72Å |
| 196 | S | 97.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 137.4 | -174.2 | -176 | 0 | 0 | 0 | 0 | 113 | L180 E198 A204 | L180-S196 WeakPolarHBondContact CD1-OG 3.29Å; S196-E198 VanDerWaalsContact OG-CB 3.27Å; S196-E198 WeakPolarHBondContact OG-CB 3.37Å; S196-E198 PolarHBondContact OG-N 2.9Å; S196-E198 VanDerWaalsContact OG-N 3.08Å; S196-A204 PolarHBondContact N-O 3.22Å; S196-A204 PolarHBondContact O-N 2.97Å |
| 197 | S | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -101.6 | 22.7 | 167.3 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | T179 Y199 T200 D201 K405 | T179-S197 PolarHBondContact OG1-OG 2.89Å; S197-Y199 VanDerWaalsContact C-N 3.35Å; S197-T200 CarbonylContact C-O 3.53Å; S197-T200 WeakPolarHBondContact CA-O 3.25Å; S197-D201 WeakPolarHBondContact CB-O 3.39Å; S197-K405 WeakPolarHBondContact O-CD 3.37Å; S197-K405 PolarHBondContact O-NZ 3.39Å | ||
| 198 | E | 96.1 | Very high | 95.3 | Very high | 56 Ų | 56 | 30.3 Ų | 30.3 | 26% | 0.262 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -65.2 | -40.6 | 179.9 | -172.7 | 180 | 154.2 | 0 | 0 | 111.1 | K170 L172 V176 S196 | K170-E198 IonicContact NZ-OE1 2.7Å; K170-E198 IonicContact NZ-OE2 2.7Å; K170-E198 PolarHBondContact NZ-OE2 3.18Å; K170-E198 VanDerWaalsContact NZ-OE2 3.17Å; L172-E198 HydrophobicContact CD2-CG 3.98Å; V176-E198 HydrophobicContact CG1-CB 3.8Å; V176-E198 HydrophobicContact CG1-CG 4.3Å; S196-E198 VanDerWaalsContact OG-CB 3.27Å; S196-E198 WeakPolarHBondContact OG-CB 3.37Å; S196-E198 PolarHBondContact OG-N 2.9Å; S196-E198 VanDerWaalsContact OG-N 3.08Å |
| 199 | Y | 93.7 | Very high | 95.6 | Very high | 98 Ų | 98 | 28.5 Ų | 28.5 | 38% | 0.384 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -102.5 | -13.4 | -172 | -50.7 | -70.8 | 0 | 0 | 0 | 114.2 | S197 V206 V215 V217 | S197-Y199 VanDerWaalsContact C-N 3.35Å; Y199-V206 HydrophobicContact CD2-CG1 4.18Å; Y199-V206 HydrophobicContact CD2-CG2 4.12Å; Y199-V206 HydrophobicContact CE2-CG1 3.88Å; Y199-V215 HydrophobicContact CD2-CG1 4.18Å; Y199-V215 HydrophobicContact CE1-CG1 4.48Å; Y199-V215 HydrophobicContact CE2-CB 4.23Å; Y199-V215 HydrophobicContact CE2-CG1 3.31Å; Y199-V215 VanDerWaalsContact CZ-CG1 3.5Å; Y199-V215 WeakPolarHBondContact OH-CG1 3.44Å; Y199-V215 WeakPolarHBondContact OH-CG2 3.16Å; Y199-V217 HydrophobicContact CD2-CG2 4.28Å; Y199-V217 HydrophobicContact CG-CG2 4.32Å |
| 200 | T | 94.2 | Very high | 95.6 | Very high | 27 Ų | 27 | 28.6 Ų | 28.6 | 17% | 0.166 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -140.2 | 155.4 | -174.9 | 49 | 0 | 0 | 0 | 0 | 109.3 | S197 K202 A204 N220 K405 | S197-T200 CarbonylContact C-O 3.53Å; S197-T200 WeakPolarHBondContact CA-O 3.25Å; T200-K202 VanDerWaalsContact C-N 3.33Å; T200-K202 WeakPolarHBondContact CB-O 3.49Å; T200-K202 PolarHBondContact OG1-O 2.98Å; T200-A204 WeakPolarHBondContact OG1-CB 3.46Å; T200-N220 WeakPolarHBondContact CG2-OD1 3.42Å; T200-K405 VanDerWaalsContact C-NZ 3.32Å; T200-K405 PolarHBondContact O-NZ 3.16Å |
| 201 | D | 96.7 | Very high | 95.4 | Very high | 60 Ų | 60 | 35.5 Ų | 35.5 | 32% | 0.321 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -59.8 | -47.5 | 173.3 | 171.4 | 51.1 | 0 | 0 | 0 | 110.9 | S197 G404 K405 E406 | S197-D201 WeakPolarHBondContact CB-O 3.39Å; D201-G404 CarbonylContact O-C 3.44Å; D201-G404 VanDerWaalsContact O-CA 3.25Å; D201-G404 WeakPolarHBondContact O-CA 3.35Å; D201-K405 PolarHBondContact O-N 3.16Å; D201-K405 PolarHBondContact OD1-N 3.31Å; D201-E406 WeakPolarHBondContact OD1-CG 3.34Å; D201-E406 PolarHBondContact OD1-N 3.45Å |
| 202 | K | 97.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 36.9 Ų | 36.9 | 22% | 0.217 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -82.5 | 150.5 | 178.6 | -56.7 | -163.1 | -174.1 | -40.4 | 0 | 111.9 | T200 A204 P221 Y223 S224 D225 F403 | T200-K202 VanDerWaalsContact C-N 3.33Å; T200-K202 WeakPolarHBondContact CB-O 3.49Å; T200-K202 PolarHBondContact OG1-O 2.98Å; K202-A204 PolarHBondContact O-N 3.21Å; K202-A204 VanDerWaalsContact O-N 3.1Å; K202-P221 HydrophobicContact CB-CG 3.6Å; K202-Y223 VanDerWaalsContact CE-O 3.31Å; K202-Y223 WeakPolarHBondContact CE-O 3.44Å; K202-S224 WeakPolarHBondContact CD-O 3.49Å; K202-D225 VanDerWaalsContact CA-OD1 3.23Å; K202-D225 WeakPolarHBondContact CA-OD1 3.33Å; K202-F403 PolarHBondContact NZ-O 3.25Å; K202-F403 VanDerWaalsContact NZ-O 3.12Å |
| 203 | I | 98.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.108 | 19% | 0.194 | C | C | . | . | trans | -64.6 | 108.9 | 177.1 | -62.8 | 178.3 | 0 | 0 | 0 | 109.6 | T179 K195 P221 D225 I226 | T179-I203 HydrophobicContact CG2-CD1 3.97Å; T179-I203 HydrophobicContact CG2-CG1 4.28Å; K195-I203 HydrophobicContact CB-CG2 3.53Å; K195-I203 HydrophobicContact CD-CG2 4.29Å; K195-I203 HydrophobicContact CG-CG2 3.95Å; I203-P221 WeakPolarHBondContact O-CG 3.45Å; I203-D225 HydrophobicContact CB-CB 3.8Å; I203-D225 HydrophobicContact CD1-CB 3.92Å; I203-D225 HydrophobicContact CG1-CB 3.89Å; I203-D225 PolarHBondContact N-OD1 2.93Å; I203-I226 WeakPolarHBondContact O-CD1 3.25Å; I203-I226 WeakPolarHBondContact O-CG1 3.29Å; I203-I226 PolarHBondContact O-N 3.03Å; I203-I226 VanDerWaalsContact O-N 3.17Å | ||
| 204 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 163.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K195 S196 T200 K202 V206 V217 Y219 | K195-A204 CarbonylContact C-O 3.45Å; K195-A204 WeakPolarHBondContact CA-O 3.46Å; S196-A204 PolarHBondContact N-O 3.22Å; S196-A204 PolarHBondContact O-N 2.97Å; T200-A204 WeakPolarHBondContact OG1-CB 3.46Å; K202-A204 PolarHBondContact O-N 3.21Å; K202-A204 VanDerWaalsContact O-N 3.1Å; A204-V206 HydrophobicContact CB-CG2 4.24Å; A204-V217 HydrophobicContact CB-CG1 3.91Å; A204-Y219 WeakPolarHBondContact CA-O 3.33Å; A204-Y219 VanDerWaalsContact CB-O 3.29Å; A204-Y219 WeakPolarHBondContact CB-O 3.17Å |
| 205 | L | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.4 | 167.7 | -179 | 59.7 | 0 | 0 | 0 | 108.3 | V183 W194 I218 Y219 I226 I229 F238 V241 | V183-L205 HydrophobicContact CG2-CD1 4.17Å; W194-L205 CarbonylContact O-C 3.56Å; W194-L205 WeakPolarHBondContact O-CA 3.42Å; W194-L205 WeakPolarHBondContact O-CD1 3.4Å; L205-I218 HydrophobicContact CB-CG1 4.05Å; L205-I218 HydrophobicContact CD1-CD1 4.5Å; L205-I218 HydrophobicContact CD2-CD1 3.58Å; L205-I218 HydrophobicContact CD2-CG1 3.8Å; L205-I218 HydrophobicContact CG-CD1 3.61Å; L205-I218 HydrophobicContact CG-CG1 3.53Å; L205-I218 WeakPolarHBondContact O-CG1 3.43Å; L205-I218 PolarHBondContact O-N 3.38Å; L205-Y219 PolarHBondContact N-O 2.87Å; L205-Y219 PolarHBondContact O-N 2.85Å; L205-Y219 VanDerWaalsContact O-N 3.15Å; L205-I226 HydrophobicContact CB-CD1 3.83Å; L205-I229 HydrophobicContact CB-CD1 4.47Å; L205-I229 HydrophobicContact CD1-CD1 3.67Å; L205-I229 HydrophobicContact CD2-CD1 4.27Å; L205-I229 HydrophobicContact CG-CD1 4.32Å; L205-F238 HydrophobicContact CD1-CE1 4.19Å; L205-F238 HydrophobicContact CD1-CZ 4.22Å; L205-F238 HydrophobicContact CD2-CD1 3.68Å; L205-F238 HydrophobicContact CD2-CD2 4.02Å; L205-F238 HydrophobicContact CD2-CE1 3.86Å; L205-F238 HydrophobicContact CD2-CE2 4.18Å; L205-F238 HydrophobicContact CD2-CG 3.78Å; L205-F238 HydrophobicContact CD2-CZ 4.1Å; L205-V241 HydrophobicContact CD2-CG1 4.5Å |
| 206 | V | 97.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.8 | -167.7 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | Y193 W194 Y199 A204 V215 E216 V217 | Y193-V206 CarbonylContact C-O 3.51Å; Y193-V206 VanDerWaalsContact CA-O 3.28Å; Y193-V206 WeakPolarHBondContact CA-O 3.49Å; W194-V206 PolarHBondContact N-O 2.92Å; W194-V206 PolarHBondContact O-N 2.84Å; Y199-V206 HydrophobicContact CD2-CG1 4.18Å; Y199-V206 HydrophobicContact CD2-CG2 4.12Å; Y199-V206 HydrophobicContact CE2-CG1 3.88Å; A204-V206 HydrophobicContact CB-CG2 4.24Å; V206-V215 HydrophobicContact CG1-CG1 3.04Å; V206-E216 CarbonylContact C-O 3.49Å; V206-E216 VanDerWaalsContact CA-O 3.32Å; V206-E216 WeakPolarHBondContact CA-O 3.37Å; V206-E216 WeakPolarHBondContact CG1-O 3.43Å; V206-V217 HydrophobicContact CG2-CG2 4.27Å |
| 207 | E | 96.5 | Very high | 94.4 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.5 | 172.3 | -179.8 | 172.3 | 145 | 0 | 0 | 109.9 | R191 Y193 H209 V215 E216 I218 | R191-E207 HydrophobicContact CB-CG 4.4Å; R191-E207 WeakPolarHBondContact CD-OE1 3.37Å; R191-E207 IonicContact NE-OE1 3.67Å; Y193-E207 HydrophobicContact CD1-CB 4.01Å; Y193-E207 HydrophobicContact CD1-CG 4.28Å; Y193-E207 HydrophobicContact CE1-CB 3.75Å; Y193-E207 HydrophobicContact CE1-CG 3.67Å; Y193-E207 WeakPolarHBondContact CE1-OE2 3.48Å; Y193-E207 PolarHBondContact OH-OE2 2.86Å; E207-H209 IonicContact OE1-CE1 3.09Å; E207-H209 PolarHBondContact OE1-CE1 3.41Å; E207-H209 VanDerWaalsContact OE1-CE1 3.29Å; E207-H209 IonicContact OE1-NE2 2.79Å; E207-H209 PolarHBondContact OE1-NE2 3.02Å; E207-H209 VanDerWaalsContact OE1-NE2 3.16Å; E207-V215 CarbonylContact O-C 3.13Å; E207-V215 VanDerWaalsContact O-CA 3.3Å; E207-V215 WeakPolarHBondContact O-CA 3.16Å; E207-E216 PolarHBondContact N-O 3.11Å; E207-E216 PolarHBondContact O-N 3.37Å; E207-I218 HydrophobicContact CB-CG2 3.86Å |
| 208 | E | 95.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121 | 175.3 | 177.2 | 166.5 | -171.9 | 0 | 0 | 110.8 | K170 R191 I192 W194 V215 | K170-E208 VanDerWaalsContact CE-OE1 3.29Å; K170-E208 WeakPolarHBondContact CE-OE1 3.46Å; K170-E208 IonicContact NZ-OE1 3.38Å; K170-E208 PolarHBondContact NZ-OE1 3.1Å; K170-E208 IonicContact NZ-OE2 3.82Å; K170-E208 PolarHBondContact NZ-OE2 3.4Å; R191-E208 CarbonylContact C-O 3.12Å; R191-E208 VanDerWaalsContact CA-O 3.3Å; R191-E208 WeakPolarHBondContact CA-O 3.06Å; I192-E208 PolarHBondContact N-O 3.04Å; I192-E208 PolarHBondContact O-N 3.43Å; W194-E208 PolarHBondContact NE1-OE2 3.28Å; E208-V215 HydrophobicContact CB-CG2 4.09Å; E208-V215 HydrophobicContact CG-CG2 3.91Å |
| 209 | H | 94.1 | Very high | 94.4 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.4 | 177.9 | -68.9 | -101.3 | 0 | 0 | 0 | 111.2 | E207 K211 N212 G213 T214 | E207-H209 IonicContact OE1-CE1 3.09Å; E207-H209 PolarHBondContact OE1-CE1 3.41Å; E207-H209 VanDerWaalsContact OE1-CE1 3.29Å; E207-H209 IonicContact OE1-NE2 2.79Å; E207-H209 PolarHBondContact OE1-NE2 3.02Å; E207-H209 VanDerWaalsContact OE1-NE2 3.16Å; H209-K211 PolarHBondContact O-N 2.82Å; H209-K211 VanDerWaalsContact O-N 3.15Å; H209-N212 WeakPolarHBondContact CB-OD1 3.43Å; H209-N212 PolarHBondContact O-OD1 3.31Å; H209-G213 VanDerWaalsContact O-CA 3.23Å; H209-G213 WeakPolarHBondContact O-CA 3.5Å; H209-G213 PolarHBondContact O-N 2.92Å; H209-T214 PolarHBondContact CD2-O 2.83Å; H209-T214 PolarHBondContact CD2-OG1 3.23Å; H209-T214 PolarHBondContact N-O 3.37Å |
| 210 | L | 88 | Confident | 94.5 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17 | -173.9 | -69.4 | -179.5 | 0 | 0 | 0 | 114.8 | M141 K155 T190 I192 | M141-L210 HydrophobicContact SD-CD2 4.25Å; K155-L210 PolarHBondContact NZ-O 2.79Å; T190-L210 WeakPolarHBondContact O-CB 3.34Å; T190-L210 PolarHBondContact O-N 2.86Å; I192-L210 HydrophobicContact CD1-CD1 3.99Å; I192-L210 HydrophobicContact CD1-CD2 3.71Å; I192-L210 HydrophobicContact CD1-CG 4.17Å; I192-L210 HydrophobicContact CG1-CD1 3.92Å; I192-L210 HydrophobicContact CG1-CD2 4.06Å; I192-L210 HydrophobicContact CG1-CG 4.04Å |
| 211 | K | 86.4 | Confident | 94.5 | Very high | 199 Ų | 199 | 50.3 Ų | 50.3 | 87% | 0.865 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -44.5 | -176.9 | -173.9 | 179.4 | 177.2 | -176 | 0 | 112.3 | H209 | H209-K211 PolarHBondContact O-N 2.82Å; H209-K211 VanDerWaalsContact O-N 3.15Å |
| 212 | N | 88.6 | Confident | 94.3 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -7.3 | -173.7 | 61.3 | -6.4 | 0 | 0 | 0 | 112.6 | H209 T214 | H209-N212 WeakPolarHBondContact CB-OD1 3.43Å; H209-N212 PolarHBondContact O-OD1 3.31Å; N212-T214 HydrophobicContact CB-CG2 4.47Å; N212-T214 WeakPolarHBondContact ND2-CG2 3.44Å; N212-T214 PolarHBondContact ND2-OG1 2.84Å; N212-T214 PolarHBondContact O-N 2.81Å; N212-T214 PolarHBondContact OD1-N 2.86Å; N212-T214 PolarHBondContact OD1-OG1 2.85Å |
| 213 | G | 86.3 | Confident | 94 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 46% | 0.464 | 29% | 0.294 | S | S | . | . | trans | 72.8 | 11.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | H209 | H209-G213 VanDerWaalsContact O-CA 3.23Å; H209-G213 WeakPolarHBondContact O-CA 3.5Å; H209-G213 PolarHBondContact O-N 2.92Å | ||
| 214 | T | 93.5 | Very high | 93.9 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | trans | -71.8 | 142 | 178.3 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | H209 N212 | H209-T214 PolarHBondContact CD2-O 2.83Å; H209-T214 PolarHBondContact CD2-OG1 3.23Å; H209-T214 PolarHBondContact N-O 3.37Å; N212-T214 HydrophobicContact CB-CG2 4.47Å; N212-T214 WeakPolarHBondContact ND2-CG2 3.44Å; N212-T214 PolarHBondContact ND2-OG1 2.84Å; N212-T214 PolarHBondContact O-N 2.81Å; N212-T214 PolarHBondContact OD1-N 2.86Å; N212-T214 PolarHBondContact OD1-OG1 2.85Å | ||
| 215 | V | 95.2 | Very high | 93.9 | Very high | 48 Ų | 48 | 57.8 Ų | 57.8 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133 | -176.7 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | Y199 V206 E207 E208 | Y199-V215 HydrophobicContact CD2-CG1 4.18Å; Y199-V215 HydrophobicContact CE1-CG1 4.48Å; Y199-V215 HydrophobicContact CE2-CB 4.23Å; Y199-V215 HydrophobicContact CE2-CG1 3.31Å; Y199-V215 VanDerWaalsContact CZ-CG1 3.5Å; Y199-V215 WeakPolarHBondContact OH-CG1 3.44Å; Y199-V215 WeakPolarHBondContact OH-CG2 3.16Å; V206-V215 HydrophobicContact CG1-CG1 3.04Å; E207-V215 CarbonylContact O-C 3.13Å; E207-V215 VanDerWaalsContact O-CA 3.3Å; E207-V215 WeakPolarHBondContact O-CA 3.16Å; E208-V215 HydrophobicContact CB-CG2 4.09Å; E208-V215 HydrophobicContact CG-CG2 3.91Å |
| 216 | E | 96 | Very high | 93.9 | Very high | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.8 | 178.7 | -176.3 | 174.1 | -178 | 0 | 0 | 110.4 | V206 E207 I218 | V206-E216 CarbonylContact C-O 3.49Å; V206-E216 VanDerWaalsContact CA-O 3.32Å; V206-E216 WeakPolarHBondContact CA-O 3.37Å; V206-E216 WeakPolarHBondContact CG1-O 3.43Å; E207-E216 PolarHBondContact N-O 3.11Å; E207-E216 PolarHBondContact O-N 3.37Å; E216-I218 HydrophobicContact CG-CG2 4.22Å; E216-I218 PolarHBondContact O-N 2.9Å |
| 217 | V | 96.8 | Very high | 93.7 | Very high | 56 Ų | 56 | 61.5 Ų | 61.5 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 107.5 | 170.9 | 179 | 0 | 0 | 0 | 0 | 108.1 | Y199 A204 V206 N220 | Y199-V217 HydrophobicContact CD2-CG2 4.28Å; Y199-V217 HydrophobicContact CG-CG2 4.32Å; A204-V217 HydrophobicContact CB-CG1 3.91Å; V206-V217 HydrophobicContact CG2-CG2 4.27Å; V217-N220 HydrophobicContact CG1-CB 4.12Å |
| 218 | I | 95.7 | Very high | 93.6 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 23% | 0.226 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -21.7 | -176.6 | 63.3 | 171.4 | 0 | 0 | 0 | 112.9 | Y193 L205 E207 E216 F238 | Y193-I218 HydrophobicContact CD1-CD1 3.73Å; Y193-I218 HydrophobicContact CE1-CD1 3.86Å; L205-I218 HydrophobicContact CB-CG1 4.05Å; L205-I218 HydrophobicContact CD1-CD1 4.5Å; L205-I218 HydrophobicContact CD2-CD1 3.58Å; L205-I218 HydrophobicContact CD2-CG1 3.8Å; L205-I218 HydrophobicContact CG-CD1 3.61Å; L205-I218 HydrophobicContact CG-CG1 3.53Å; L205-I218 WeakPolarHBondContact O-CG1 3.43Å; L205-I218 PolarHBondContact O-N 3.38Å; E207-I218 HydrophobicContact CB-CG2 3.86Å; E216-I218 HydrophobicContact CG-CG2 4.22Å; E216-I218 PolarHBondContact O-N 2.9Å; I218-F238 HydrophobicContact CD1-CD2 3.91Å; I218-F238 HydrophobicContact CD1-CE2 3.8Å |
| 219 | Y | 96.7 | Very high | 93.6 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 125.6 | 165.9 | -176.6 | -87.9 | 0 | 0 | 0 | 110.7 | A204 L205 P221 I226 V241 E243 M253 | A204-Y219 WeakPolarHBondContact CA-O 3.33Å; A204-Y219 VanDerWaalsContact CB-O 3.29Å; A204-Y219 WeakPolarHBondContact CB-O 3.17Å; L205-Y219 PolarHBondContact N-O 2.87Å; L205-Y219 PolarHBondContact O-N 2.85Å; L205-Y219 VanDerWaalsContact O-N 3.15Å; Y219-P221 HydrophobicContact CE1-CB 4.1Å; Y219-I226 HydrophobicContact CD1-CD1 3.76Å; Y219-I226 HydrophobicContact CD1-CG1 4.18Å; Y219-I226 HydrophobicContact CE1-CD1 4.42Å; Y219-I226 HydrophobicContact CE1-CG1 4.35Å; Y219-V241 HydrophobicContact CD1-CB 4.4Å; Y219-V241 HydrophobicContact CD1-CG1 4.5Å; Y219-V241 HydrophobicContact CD1-CG2 3.75Å; Y219-V241 HydrophobicContact CD2-CG2 3.64Å; Y219-V241 HydrophobicContact CE1-CB 4.33Å; Y219-V241 HydrophobicContact CE1-CG2 3.46Å; Y219-V241 VanDerWaalsContact CE1-CG2 3.46Å; Y219-V241 HydrophobicContact CE2-CG2 3.34Å; Y219-V241 HydrophobicContact CG-CG1 4.4Å; Y219-V241 HydrophobicContact CG-CG2 3.82Å; Y219-E243 PolarHBondContact OH-OE1 2.82Å; Y219-M253 HydrophobicContact CD2-SD 3.6Å; Y219-M253 HydrophobicContact CG-SD 4.13Å |
| 220 | N | 95.6 | Very high | 93.6 | Very high | 91 Ų | 91 | 61.8 Ų | 61.8 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | trans | -106 | 117.6 | 174.5 | -174.4 | 29.7 | 0 | 0 | 0 | 109.8 | T200 V217 | T200-N220 WeakPolarHBondContact CG2-OD1 3.42Å; V217-N220 HydrophobicContact CG1-CB 4.12Å | ||
| 221 | P | 94.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | trans | -71 | 157.5 | -178.6 | 33.2 | -40.8 | 0 | 0 | 0 | 112.7 | K202 I203 Y219 S224 I226 E243 | K202-P221 HydrophobicContact CB-CG 3.6Å; I203-P221 WeakPolarHBondContact O-CG 3.45Å; Y219-P221 HydrophobicContact CE1-CB 4.1Å; P221-S224 WeakPolarHBondContact CB-O 3.18Å; P221-S224 WeakPolarHBondContact CG-O 3.45Å; P221-I226 HydrophobicContact CB-CG1 4.15Å; P221-I226 HydrophobicContact CG-CG1 4.36Å; P221-E243 WeakPolarHBondContact CA-OE1 3.49Å; P221-E243 HydrophobicContact CB-CG 3.92Å; P221-E243 WeakPolarHBondContact CB-OE2 3.29Å | ||
| 222 | K | 92.4 | Very high | 94 | Very high | 156 Ų | 156 | 54.7 Ų | 54.7 | 68% | 0.678 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -101.4 | -41.1 | -174.8 | -64.9 | 178.1 | -177.2 | 172.8 | 0 | 113.3 | E243 | K222-E243 VanDerWaalsContact N-CD 3.34Å; K222-E243 PolarHBondContact N-OE1 3.06Å; K222-E243 VanDerWaalsContact N-OE1 3.16Å; K222-E243 PolarHBondContact N-OE2 3.19Å |
| 223 | Y | 91.3 | Very high | 93.7 | Very high | 122 Ų | 122 | 52.5 Ų | 52.5 | 48% | 0.478 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -112.2 | -44.3 | -165.5 | -53.6 | -70.7 | 0 | 0 | 0 | 112.6 | K202 E243 E249 | K202-Y223 VanDerWaalsContact CE-O 3.31Å; K202-Y223 WeakPolarHBondContact CE-O 3.44Å; Y223-E243 PolarHBondContact N-OE2 2.92Å; Y223-E249 HydrophobicContact CD2-CB 4.29Å; Y223-E249 HydrophobicContact CD2-CG 4.22Å; Y223-E249 HydrophobicContact CE2-CB 4.44Å; Y223-E249 HydrophobicContact CE2-CG 4.32Å |
| 224 | S | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -142.2 | 180 | -175 | 72.9 | 0 | 0 | 0 | 0 | 110.8 | K202 P221 E243 Y244 G402 | K202-S224 WeakPolarHBondContact CD-O 3.49Å; P221-S224 WeakPolarHBondContact CB-O 3.18Å; P221-S224 WeakPolarHBondContact CG-O 3.45Å; S224-E243 PolarHBondContact N-OE2 2.81Å; S224-Y244 VanDerWaalsContact OG-C 3.28Å; S224-Y244 PolarHBondContact OG-N 2.79Å; S224-Y244 PolarHBondContact OG-O 3.17Å; S224-G402 VanDerWaalsContact CB-O 3.3Å; S224-G402 WeakPolarHBondContact CB-O 3.44Å |
| 225 | D | 97.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -58.5 | 149.5 | 163.8 | -66.4 | -27.2 | 0 | 0 | 0 | 110 | K202 I203 H227 G402 F403 G404 | K202-D225 VanDerWaalsContact CA-OD1 3.23Å; K202-D225 WeakPolarHBondContact CA-OD1 3.33Å; I203-D225 HydrophobicContact CB-CB 3.8Å; I203-D225 HydrophobicContact CD1-CB 3.92Å; I203-D225 HydrophobicContact CG1-CB 3.89Å; I203-D225 PolarHBondContact N-OD1 2.93Å; D225-H227 PolarHBondContact O-N 2.85Å; D225-H227 VanDerWaalsContact O-N 3.12Å; D225-G402 VanDerWaalsContact CG-C 3.46Å; D225-G402 PolarHBondContact N-O 3.33Å; D225-G402 WeakPolarHBondContact OD2-CA 3.46Å; D225-G402 PolarHBondContact OD2-N 2.85Å; D225-F403 PolarHBondContact OD2-N 3.49Å; D225-F403 VanDerWaalsContact OD2-N 3.16Å; D225-G404 WeakPolarHBondContact OD1-CA 3.32Å; D225-G404 PolarHBondContact OD1-N 3.25Å; D225-G404 VanDerWaalsContact OD1-N 3.13Å; D225-G404 PolarHBondContact OD2-N 3.06Å |
| 226 | I | 97.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 117.4 | 167.2 | -66.8 | 169.5 | 0 | 0 | 0 | 108.1 | K195 I203 L205 Y219 P221 I229 | K195-I226 HydrophobicContact CD-CB 4.36Å; K195-I226 HydrophobicContact CD-CG2 4.03Å; K195-I226 HydrophobicContact CG-CG2 4.4Å; I203-I226 WeakPolarHBondContact O-CD1 3.25Å; I203-I226 WeakPolarHBondContact O-CG1 3.29Å; I203-I226 PolarHBondContact O-N 3.03Å; I203-I226 VanDerWaalsContact O-N 3.17Å; L205-I226 HydrophobicContact CB-CD1 3.83Å; Y219-I226 HydrophobicContact CD1-CD1 3.76Å; Y219-I226 HydrophobicContact CD1-CG1 4.18Å; Y219-I226 HydrophobicContact CE1-CD1 4.42Å; Y219-I226 HydrophobicContact CE1-CG1 4.35Å; P221-I226 HydrophobicContact CB-CG1 4.15Å; P221-I226 HydrophobicContact CG-CG1 4.36Å; I226-I229 HydrophobicContact CG2-CD1 4.04Å; I226-I229 HydrophobicContact CG2-CG1 3.58Å |
| 227 | H | 94.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 34% | 0.343 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -52.4 | 178.4 | 178.1 | 65.4 | 0 | 0 | 0 | 110.7 | D225 E242 Y375 | D225-H227 PolarHBondContact O-N 2.85Å; D225-H227 VanDerWaalsContact O-N 3.12Å; H227-E242 WeakPolarHBondContact CB-O 3.23Å; H227-E242 PolarHBondContact N-O 3.44Å; H227-Y375 AromaticContact CE1-CE1 3.91Å; H227-Y375 AromaticContact CE1-CZ 3.73Å; H227-Y375 PolarHBondContact CE1-OH 2.72Å; H227-Y375 AromaticContact ND1-CE1 3.89Å; H227-Y375 AromaticContact ND1-CZ 3.88Å; H227-Y375 PolarHBondContact ND1-OH 2.94Å |
| 228 | N | 94.1 | Very high | 92.5 | Very high | 59 Ų | 59 | 47.4 Ų | 47.4 | 32% | 0.316 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 156 | -175.4 | -171.7 | 27.4 | 0 | 0 | 0 | 111.5 | E242 | N228-E242 HydrophobicContact CB-CB 4.02Å; N228-E242 PolarHBondContact N-O 3.03Å; N228-E242 PolarHBondContact O-N 3.39Å |
| 229 | I | 95.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 121.8 | 177.9 | -55.4 | 179.5 | 0 | 0 | 0 | 108.1 | V183 K195 L205 I226 F231 F238 V241 | V183-I229 HydrophobicContact CG1-CD1 4.27Å; V183-I229 HydrophobicContact CG2-CD1 3.99Å; K195-I229 HydrophobicContact CD-CD1 4.11Å; K195-I229 HydrophobicContact CG-CD1 3.72Å; L205-I229 HydrophobicContact CB-CD1 4.47Å; L205-I229 HydrophobicContact CD1-CD1 3.67Å; L205-I229 HydrophobicContact CD2-CD1 4.27Å; L205-I229 HydrophobicContact CG-CD1 4.32Å; I226-I229 HydrophobicContact CG2-CD1 4.04Å; I226-I229 HydrophobicContact CG2-CG1 3.58Å; I229-F231 HydrophobicContact CG2-CD1 4.05Å; I229-F238 HydrophobicContact CG2-CD1 3.45Å; I229-F238 VanDerWaalsContact CG2-CD1 3.45Å; I229-F238 HydrophobicContact CG2-CE1 3.87Å; I229-V241 HydrophobicContact CG1-CG1 4.27Å; I229-V241 HydrophobicContact CG2-CG1 4.3Å |
| 230 | I | 94.2 | Very high | 92.5 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 10% | 0.097 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121 | 169.8 | -55.4 | -176.2 | 0 | 0 | 0 | 107.8 | L239 L240 I257 I275 I278 | I230-L239 HydrophobicContact CG2-CB 4.29Å; I230-L239 HydrophobicContact CG2-CD1 4.18Å; I230-L239 WeakPolarHBondContact O-CB 3.44Å; I230-L239 PolarHBondContact O-N 3.31Å; I230-L240 HydrophobicContact CB-CB 4.21Å; I230-L240 HydrophobicContact CD1-CB 4.44Å; I230-L240 HydrophobicContact CD1-CD2 4.05Å; I230-L240 HydrophobicContact CG1-CD2 4.27Å; I230-L240 PolarHBondContact N-O 3.01Å; I230-L240 PolarHBondContact O-N 3.12Å; I230-L240 VanDerWaalsContact O-N 3.16Å; I230-I257 HydrophobicContact CG2-CD1 4.32Å; I230-I275 HydrophobicContact CD1-CB 4.04Å; I230-I275 HydrophobicContact CD1-CD1 3.46Å; I230-I275 VanDerWaalsContact CD1-CD1 3.46Å; I230-I275 HydrophobicContact CD1-CG1 4.27Å; I230-I275 HydrophobicContact CD1-CG2 4.33Å; I230-I278 HydrophobicContact CD1-CD1 4.38Å; I230-I278 HydrophobicContact CG2-CD1 3.55Å |
| 231 | F | 93.3 | Very high | 92.5 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 25% | 0.246 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 160.2 | 178.1 | 65.2 | -83.9 | 0 | 0 | 0 | 111 | V183 V184 I229 P233 E237 F238 | V183-F231 HydrophobicContact CG1-CD1 4.13Å; V183-F231 HydrophobicContact CG1-CE1 3.75Å; V183-F231 HydrophobicContact CG1-CZ 4.19Å; V184-F231 HydrophobicContact CB-CD2 4.42Å; V184-F231 HydrophobicContact CB-CE2 3.74Å; V184-F231 HydrophobicContact CB-CZ 4.12Å; V184-F231 HydrophobicContact CG1-CD2 4.21Å; V184-F231 HydrophobicContact CG1-CE2 4.02Å; V184-F231 HydrophobicContact CG2-CE2 3.88Å; I229-F231 HydrophobicContact CG2-CD1 4.05Å; F231-P233 HydrophobicContact CE2-CB 4.3Å; F231-P233 WeakPolarHBondContact O-CD 3.46Å; F231-E237 CarbonylContact C-O 3.59Å; F231-E237 VanDerWaalsContact CA-O 3.28Å; F231-E237 WeakPolarHBondContact CA-O 3.03Å; F231-E237 WeakPolarHBondContact CB-O 3.44Å; F231-F238 HydrophobicContact CB-CD1 3.62Å; F231-F238 HydrophobicContact CB-CE1 3.96Å; F231-F238 HydrophobicContact CB-CG 4.37Å; F231-F238 HydrophobicContact CD1-CE1 4.4Å; F231-F238 HydrophobicContact CG-CD1 4.3Å; F231-F238 HydrophobicContact CG-CE1 4.17Å |
| 232 | N | 90 | Very high | 92.5 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 116 | 171 | -177.7 | -54.1 | 0 | 0 | 0 | 109.6 | Y234 T235 A236 E237 Y282 | N232-Y234 PolarHBondContact O-N 3.44Å; N232-Y234 VanDerWaalsContact OD1-CA 3.27Å; N232-Y234 WeakPolarHBondContact OD1-CA 3.49Å; N232-Y234 WeakPolarHBondContact OD1-CB 3.38Å; N232-Y234 VanDerWaalsContact OD1-CD2 3.29Å; N232-Y234 WeakPolarHBondContact OD1-CD2 3.44Å; N232-Y234 PolarHBondContact OD1-N 2.9Å; N232-T235 VanDerWaalsContact CB-OG1 3.31Å; N232-T235 WeakPolarHBondContact CB-OG1 2.97Å; N232-T235 VanDerWaalsContact CG-OG1 3.24Å; N232-T235 PolarHBondContact O-N 2.93Å; N232-T235 PolarHBondContact OD1-N 3.09Å; N232-T235 PolarHBondContact OD1-OG1 3.41Å; N232-A236 VanDerWaalsContact O-CA 3.26Å; N232-A236 WeakPolarHBondContact O-CA 3.18Å; N232-A236 PolarHBondContact O-N 3.18Å; N232-E237 HydrophobicContact CB-CB 4.22Å; N232-E237 PolarHBondContact N-O 2.84Å; N232-Y282 WeakPolarHBondContact CB-OH 3.36Å; N232-Y282 PolarHBondContact ND2-OH 3.35Å |
| 233 | P | 81.5 | Confident | 92.6 | Very high | 58 Ų | 58 | 32.5 Ų | 32.5 | 38% | 0.377 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.9 | -178 | 29 | -35.2 | 0 | 0 | 0 | 113.7 | F231 | F231-P233 HydrophobicContact CE2-CB 4.3Å; F231-P233 WeakPolarHBondContact O-CD 3.46Å |
| 234 | Y | 80 | Confident | 92.6 | Very high | 67 Ų | 67 | 27 Ų | 27 | 26% | 0.263 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -36.3 | 178 | -52.7 | -98 | 0 | 0 | 0 | 112.4 | I89 N232 Q280 | I89-Y234 HydrophobicContact CB-CD1 4.13Å; I89-Y234 HydrophobicContact CB-CE1 3.7Å; I89-Y234 HydrophobicContact CD1-CD1 3.2Å; I89-Y234 HydrophobicContact CD1-CE1 3.7Å; I89-Y234 HydrophobicContact CD1-CG 3.76Å; I89-Y234 HydrophobicContact CG1-CD1 4.24Å; I89-Y234 HydrophobicContact CG1-CE1 4.29Å; I89-Y234 HydrophobicContact CG2-CD1 4.04Å; I89-Y234 HydrophobicContact CG2-CE1 3.3Å; I89-Y234 WeakPolarHBondContact CG2-OH 3.44Å; N232-Y234 PolarHBondContact O-N 3.44Å; N232-Y234 VanDerWaalsContact OD1-CA 3.27Å; N232-Y234 WeakPolarHBondContact OD1-CA 3.49Å; N232-Y234 WeakPolarHBondContact OD1-CB 3.38Å; N232-Y234 VanDerWaalsContact OD1-CD2 3.29Å; N232-Y234 WeakPolarHBondContact OD1-CD2 3.44Å; N232-Y234 PolarHBondContact OD1-N 2.9Å; Y234-Q280 HydrophobicContact CD2-CG 4.39Å; Y234-Q280 HydrophobicContact CE2-CG 3.58Å; Y234-Q280 PolarHBondContact OH-NE2 3.16Å |
| 235 | T | 86.9 | Confident | 92.5 | Very high | 83 Ų | 83 | 29.7 Ų | 29.7 | 51% | 0.509 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -11.7 | -173.9 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | N232 E237 | N232-T235 VanDerWaalsContact CB-OG1 3.31Å; N232-T235 WeakPolarHBondContact CB-OG1 2.97Å; N232-T235 VanDerWaalsContact CG-OG1 3.24Å; N232-T235 PolarHBondContact O-N 2.93Å; N232-T235 PolarHBondContact OD1-N 3.09Å; N232-T235 PolarHBondContact OD1-OG1 3.41Å; T235-E237 PolarHBondContact O-N 2.93Å; T235-E237 WeakPolarHBondContact OG1-CB 3.36Å; T235-E237 PolarHBondContact OG1-N 2.73Å |
| 236 | A | 88.2 | Confident | 92.1 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 27.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V184 Y193 N232 F238 | V184-A236 HydrophobicContact CG1-CB 3.79Å; V184-A236 HydrophobicContact CG2-CB 4.28Å; Y193-A236 HydrophobicContact CD2-CB 4.48Å; Y193-A236 HydrophobicContact CE2-CB 4.18Å; N232-A236 VanDerWaalsContact O-CA 3.26Å; N232-A236 WeakPolarHBondContact O-CA 3.18Å; N232-A236 PolarHBondContact O-N 3.18Å; A236-F238 PolarHBondContact O-N 2.83Å |
| 237 | E | 92.2 | Very high | 91.4 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 23% | 0.229 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 114 | 175.6 | -178.6 | -177.5 | -155.8 | 0 | 0 | 109.6 | F231 N232 T235 L239 N254 K256 | F231-E237 CarbonylContact C-O 3.59Å; F231-E237 VanDerWaalsContact CA-O 3.28Å; F231-E237 WeakPolarHBondContact CA-O 3.03Å; F231-E237 WeakPolarHBondContact CB-O 3.44Å; N232-E237 HydrophobicContact CB-CB 4.22Å; N232-E237 PolarHBondContact N-O 2.84Å; T235-E237 PolarHBondContact O-N 2.93Å; T235-E237 WeakPolarHBondContact OG1-CB 3.36Å; T235-E237 PolarHBondContact OG1-N 2.73Å; E237-L239 HydrophobicContact CG-CD2 4.23Å; E237-N254 PolarHBondContact OE1-ND2 3.25Å; E237-K256 IonicContact OE1-NZ 3.82Å; E237-K256 PolarHBondContact OE1-NZ 3.35Å; E237-K256 IonicContact OE2-NZ 3Å; E237-K256 PolarHBondContact OE2-NZ 2.75Å |
| 238 | F | 95.8 | Very high | 90.9 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 132.5 | 175.7 | -61.1 | -74 | 0 | 0 | 0 | 110.9 | V183 V184 Y193 L205 I218 I229 F231 A236 M253 N254 | V183-F238 HydrophobicContact CG1-CE1 3.94Å; V183-F238 HydrophobicContact CG1-CZ 4.5Å; V184-F238 HydrophobicContact CG1-CE1 4.42Å; V184-F238 HydrophobicContact CG1-CZ 3.98Å; Y193-F238 AromaticContact CD1-CE2 3.36Å; Y193-F238 HydrophobicContact CD1-CE2 3.36Å; Y193-F238 AromaticContact CD1-CZ 3.65Å; Y193-F238 HydrophobicContact CD1-CZ 3.65Å; Y193-F238 HydrophobicContact CD2-CE2 4.22Å; Y193-F238 HydrophobicContact CD2-CZ 4.12Å; Y193-F238 AromaticContact CE1-CE2 3.64Å; Y193-F238 HydrophobicContact CE1-CE2 3.64Å; Y193-F238 HydrophobicContact CE1-CZ 4.34Å; Y193-F238 HydrophobicContact CE2-CE2 4.46Å; Y193-F238 AromaticContact CG-CE2 3.68Å; Y193-F238 HydrophobicContact CG-CE2 3.68Å; Y193-F238 AromaticContact CG-CZ 3.51Å; Y193-F238 HydrophobicContact CG-CZ 3.51Å; L205-F238 HydrophobicContact CD1-CE1 4.19Å; L205-F238 HydrophobicContact CD1-CZ 4.22Å; L205-F238 HydrophobicContact CD2-CD1 3.68Å; L205-F238 HydrophobicContact CD2-CD2 4.02Å; L205-F238 HydrophobicContact CD2-CE1 3.86Å; L205-F238 HydrophobicContact CD2-CE2 4.18Å; L205-F238 HydrophobicContact CD2-CG 3.78Å; L205-F238 HydrophobicContact CD2-CZ 4.1Å; I218-F238 HydrophobicContact CD1-CD2 3.91Å; I218-F238 HydrophobicContact CD1-CE2 3.8Å; I229-F238 HydrophobicContact CG2-CD1 3.45Å; I229-F238 VanDerWaalsContact CG2-CD1 3.45Å; I229-F238 HydrophobicContact CG2-CE1 3.87Å; F231-F238 HydrophobicContact CB-CD1 3.62Å; F231-F238 HydrophobicContact CB-CE1 3.96Å; F231-F238 HydrophobicContact CB-CG 4.37Å; F231-F238 HydrophobicContact CD1-CE1 4.4Å; F231-F238 HydrophobicContact CG-CD1 4.3Å; F231-F238 HydrophobicContact CG-CE1 4.17Å; A236-F238 PolarHBondContact O-N 2.83Å; F238-M253 HydrophobicContact CB-CB 4.01Å; F238-M253 HydrophobicContact CB-CE 4.23Å; F238-M253 HydrophobicContact CB-CG 4.15Å; F238-M253 WeakPolarHBondContact O-CB 3.45Å; F238-N254 WeakPolarHBondContact O-CB 3.21Å |
| 239 | L | 95.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -48.1 | -175.5 | -55.8 | 177.4 | 0 | 0 | 0 | 111 | I230 E237 M253 N254 K256 I257 Y282 | I230-L239 HydrophobicContact CG2-CB 4.29Å; I230-L239 HydrophobicContact CG2-CD1 4.18Å; I230-L239 WeakPolarHBondContact O-CB 3.44Å; I230-L239 PolarHBondContact O-N 3.31Å; E237-L239 HydrophobicContact CG-CD2 4.23Å; L239-M253 PolarHBondContact O-N 3.35Å; L239-N254 HydrophobicContact CD2-CB 3.94Å; L239-N254 PolarHBondContact O-N 3.42Å; L239-N254 VanDerWaalsContact O-N 3.15Å; L239-K256 HydrophobicContact CD2-CB 4.39Å; L239-K256 HydrophobicContact CD2-CD 4.34Å; L239-I257 HydrophobicContact CB-CD1 3.69Å; L239-I257 HydrophobicContact CB-CG1 4.08Å; L239-I257 HydrophobicContact CD1-CD1 4.39Å; L239-I257 HydrophobicContact CD1-CG2 4.1Å; L239-Y282 HydrophobicContact CD1-CD1 4.09Å; L239-Y282 HydrophobicContact CD1-CE1 3.47Å; L239-Y282 VanDerWaalsContact CD1-CE1 3.47Å |
| 240 | L | 95.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 144.3 | -176 | 179.7 | 150.9 | 0 | 0 | 0 | 110 | I230 E242 V250 G251 Y252 I257 Y261 | I230-L240 HydrophobicContact CB-CB 4.21Å; I230-L240 HydrophobicContact CD1-CB 4.44Å; I230-L240 HydrophobicContact CD1-CD2 4.05Å; I230-L240 HydrophobicContact CG1-CD2 4.27Å; I230-L240 PolarHBondContact N-O 3.01Å; I230-L240 PolarHBondContact O-N 3.12Å; I230-L240 VanDerWaalsContact O-N 3.16Å; L240-E242 HydrophobicContact CD2-CB 4.38Å; L240-V250 HydrophobicContact CD1-CB 3.91Å; L240-V250 HydrophobicContact CD1-CG1 4.09Å; L240-V250 HydrophobicContact CD1-CG2 4.26Å; L240-V250 HydrophobicContact CD2-CB 4.12Å; L240-V250 HydrophobicContact CD2-CG1 3.86Å; L240-V250 HydrophobicContact CG-CB 4.05Å; L240-V250 HydrophobicContact CG-CG1 4.29Å; L240-G251 WeakPolarHBondContact CA-O 3.1Å; L240-Y252 HydrophobicContact CD1-CD1 4.15Å; L240-Y252 HydrophobicContact CD1-CE1 3.87Å; L240-I257 HydrophobicContact CB-CD1 4.03Å; L240-Y261 HydrophobicContact CD1-CD1 4.48Å; L240-Y261 HydrophobicContact CD1-CD2 3.58Å; L240-Y261 HydrophobicContact CD1-CE2 3.67Å; L240-Y261 HydrophobicContact CD1-CG 4.03Å |
| 241 | V | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.5 | 169.2 | -65.7 | 0 | 0 | 0 | 0 | 108.9 | L205 Y219 I229 V250 G251 M253 | L205-V241 HydrophobicContact CD2-CG1 4.5Å; Y219-V241 HydrophobicContact CD1-CB 4.4Å; Y219-V241 HydrophobicContact CD1-CG1 4.5Å; Y219-V241 HydrophobicContact CD1-CG2 3.75Å; Y219-V241 HydrophobicContact CD2-CG2 3.64Å; Y219-V241 HydrophobicContact CE1-CB 4.33Å; Y219-V241 HydrophobicContact CE1-CG2 3.46Å; Y219-V241 VanDerWaalsContact CE1-CG2 3.46Å; Y219-V241 HydrophobicContact CE2-CG2 3.34Å; Y219-V241 HydrophobicContact CG-CG1 4.4Å; Y219-V241 HydrophobicContact CG-CG2 3.82Å; I229-V241 HydrophobicContact CG1-CG1 4.27Å; I229-V241 HydrophobicContact CG2-CG1 4.3Å; V241-V250 CarbonylContact O-C 3.49Å; V241-V250 WeakPolarHBondContact O-CA 2.96Å; V241-G251 WeakPolarHBondContact CG2-O 3.48Å; V241-G251 PolarHBondContact N-O 3.21Å; V241-G251 PolarHBondContact O-N 2.82Å; V241-M253 HydrophobicContact CG1-CG 4.03Å; V241-M253 HydrophobicContact CG2-CG 4.47Å |
| 242 | E | 94.7 | Very high | 90.6 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.9 | -178.6 | -174.4 | 176.4 | -172.4 | 0 | 0 | 109.4 | H227 N228 L240 S248 E249 V250 | H227-E242 WeakPolarHBondContact CB-O 3.23Å; H227-E242 PolarHBondContact N-O 3.44Å; N228-E242 HydrophobicContact CB-CB 4.02Å; N228-E242 PolarHBondContact N-O 3.03Å; N228-E242 PolarHBondContact O-N 3.39Å; L240-E242 HydrophobicContact CD2-CB 4.38Å; E242-S248 VanDerWaalsContact CD-OG 3.28Å; E242-S248 WeakPolarHBondContact CG-OG 3.47Å; E242-S248 WeakPolarHBondContact OE1-CB 3.36Å; E242-S248 PolarHBondContact OE1-OG 3.14Å; E242-E249 WeakPolarHBondContact CA-O 3.36Å; E242-V250 HydrophobicContact CG-CG1 4.46Å |
| 243 | E | 94.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139.1 | 170.6 | -64.6 | 179.9 | -130.8 | 0 | 0 | 108.2 | Y219 P221 K222 Y223 S224 S248 E249 | Y219-E243 PolarHBondContact OH-OE1 2.82Å; P221-E243 WeakPolarHBondContact CA-OE1 3.49Å; P221-E243 HydrophobicContact CB-CG 3.92Å; P221-E243 WeakPolarHBondContact CB-OE2 3.29Å; K222-E243 VanDerWaalsContact N-CD 3.34Å; K222-E243 PolarHBondContact N-OE1 3.06Å; K222-E243 VanDerWaalsContact N-OE1 3.16Å; K222-E243 PolarHBondContact N-OE2 3.19Å; Y223-E243 PolarHBondContact N-OE2 2.92Å; S224-E243 PolarHBondContact N-OE2 2.81Å; E243-S248 WeakPolarHBondContact O-CA 3.37Å; E243-E249 PolarHBondContact N-O 2.97Å; E243-E249 PolarHBondContact O-N 3.34Å |
| 244 | Y | 92.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 85.2 | 179.3 | -150.6 | -57.1 | 0 | 0 | 0 | 110.1 | S224 M246 R373 Y375 W376 | S224-Y244 VanDerWaalsContact OG-C 3.28Å; S224-Y244 PolarHBondContact OG-N 2.79Å; S224-Y244 PolarHBondContact OG-O 3.17Å; Y244-M246 WeakPolarHBondContact CE1-O 3.24Å; Y244-R373 VanDerWaalsContact O-CZ 3.28Å; Y244-R373 PolarHBondContact O-NH1 2.66Å; Y244-R373 PolarHBondContact O-NH2 3.08Å; Y244-Y375 AromaticContact CD1-CD1 3.7Å; Y244-Y375 HydrophobicContact CD1-CD1 3.7Å; Y244-Y375 HydrophobicContact CD1-CE1 4.3Å; Y244-Y375 HydrophobicContact CD2-CD1 4.24Å; Y244-Y375 AromaticContact CE1-CD1 3.93Å; Y244-Y375 HydrophobicContact CE1-CD1 3.93Å; Y244-Y375 HydrophobicContact CE2-CD1 4.44Å; Y244-Y375 AromaticContact CG-CD1 3.87Å; Y244-Y375 HydrophobicContact CG-CD1 3.87Å; Y244-Y375 HydrophobicContact CG-CE1 4.12Å; Y244-W376 PolarHBondContact OH-O 3.03Å |
| 245 | Y | 93.4 | Very high | 92.1 | Very high | 57 Ų | 57 | 36.3 Ų | 36.3 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -82 | -91.9 | 171.5 | -171.1 | -119.4 | 0 | 0 | 0 | 109.9 | E332 L342 R373 F403 | Y245-E332 VanDerWaalsContact CE1-OE1 3.29Å; Y245-E332 WeakPolarHBondContact CE1-OE1 3.48Å; Y245-E332 PolarHBondContact OH-OE1 3.37Å; Y245-L342 WeakPolarHBondContact O-CD2 3.19Å; Y245-R373 PolarHBondContact O-NH2 3.16Å; Y245-R373 VanDerWaalsContact O-NH2 3.09Å; Y245-F403 HydrophobicContact CD2-CD1 4Å; Y245-F403 AromaticContact CD2-CE1 3.93Å; Y245-F403 HydrophobicContact CD2-CE1 3.93Å; Y245-F403 AromaticContact CE2-CD1 3.84Å; Y245-F403 HydrophobicContact CE2-CD1 3.84Å; Y245-F403 AromaticContact CE2-CE1 3.9Å; Y245-F403 HydrophobicContact CE2-CE1 3.9Å |
| 246 | M | 89.3 | Confident | 92.4 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 30% | 0.3 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -83.8 | -44.8 | 169.9 | -65 | -173.4 | 177.3 | 0 | 0 | 112.1 | Y244 A330 E332 L342 | Y244-M246 WeakPolarHBondContact CE1-O 3.24Å; M246-A330 HydrophobicContact CB-CB 4.09Å; M246-A330 HydrophobicContact CG-CB 4.26Å; M246-A330 HydrophobicContact SD-CB 4.34Å; M246-E332 HydrophobicContact CE-CG 3.67Å; M246-E332 WeakPolarHBondContact CE-OE1 3.34Å; M246-L342 HydrophobicContact CE-CD1 4.24Å; M246-L342 HydrophobicContact CG-CD1 3.76Å; M246-L342 HydrophobicContact CG-CD2 4.46Å |
| 247 | T | 81.8 | Confident | 92.7 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 23% | 0.233 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -135.3 | 168.1 | 173.9 | 65.5 | 0 | 0 | 0 | 0 | 109.3 | E249 K272 W376 | T247-E249 PolarHBondContact O-N 3.38Å; T247-K272 PolarHBondContact OG1-NZ 2.99Å; T247-W376 HydrophobicContact CG2-CE3 4.37Å |
| 248 | S | 85.2 | Confident | 92.8 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 130.4 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | E242 E243 K272 | E242-S248 VanDerWaalsContact CD-OG 3.28Å; E242-S248 WeakPolarHBondContact CG-OG 3.47Å; E242-S248 WeakPolarHBondContact OE1-CB 3.36Å; E242-S248 PolarHBondContact OE1-OG 3.14Å; E243-S248 WeakPolarHBondContact O-CA 3.37Å; S248-K272 PolarHBondContact O-NZ 2.77Å |
| 249 | E | 88.4 | Confident | 92.8 | Very high | 92 Ų | 92 | 42.7 Ų | 42.7 | 43% | 0.43 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.5 | 171.6 | -66.6 | -63.4 | 155.8 | 0 | 0 | 108.4 | Y223 E242 E243 T247 | Y223-E249 HydrophobicContact CD2-CB 4.29Å; Y223-E249 HydrophobicContact CD2-CG 4.22Å; Y223-E249 HydrophobicContact CE2-CB 4.44Å; Y223-E249 HydrophobicContact CE2-CG 4.32Å; E242-E249 WeakPolarHBondContact CA-O 3.36Å; E243-E249 PolarHBondContact N-O 2.97Å; E243-E249 PolarHBondContact O-N 3.34Å; T247-E249 PolarHBondContact O-N 3.38Å |
| 250 | V | 92 | Very high | 92.9 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.1 | -174.4 | -61.1 | 0 | 0 | 0 | 0 | 114 | L240 V241 E242 Y261 | L240-V250 HydrophobicContact CD1-CB 3.91Å; L240-V250 HydrophobicContact CD1-CG1 4.09Å; L240-V250 HydrophobicContact CD1-CG2 4.26Å; L240-V250 HydrophobicContact CD2-CB 4.12Å; L240-V250 HydrophobicContact CD2-CG1 3.86Å; L240-V250 HydrophobicContact CG-CB 4.05Å; L240-V250 HydrophobicContact CG-CG1 4.29Å; V241-V250 CarbonylContact O-C 3.49Å; V241-V250 WeakPolarHBondContact O-CA 2.96Å; E242-V250 HydrophobicContact CG-CG1 4.46Å; V250-Y261 HydrophobicContact CG1-CE1 4.17Å; V250-Y261 HydrophobicContact CG1-CE2 4.39Å; V250-Y261 VanDerWaalsContact CG1-OH 3.25Å; V250-Y261 WeakPolarHBondContact CG1-OH 2.99Å; V250-Y261 HydrophobicContact CG2-CD1 4.39Å; V250-Y261 HydrophobicContact CG2-CE1 3.76Å |
| 251 | G | 93.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 44 Ų | 44 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L240 V241 M253 | L240-G251 WeakPolarHBondContact CA-O 3.1Å; V241-G251 WeakPolarHBondContact CG2-O 3.48Å; V241-G251 PolarHBondContact N-O 3.21Å; V241-G251 PolarHBondContact O-N 2.82Å; G251-M253 PolarHBondContact O-N 3Å |
| 252 | Y | 95 | Very high | 92.8 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 119.7 | 172.5 | -65.2 | -69.6 | 0 | 0 | 0 | 110.3 | L240 R258 Y261 N262 | L240-Y252 HydrophobicContact CD1-CD1 4.15Å; L240-Y252 HydrophobicContact CD1-CE1 3.87Å; Y252-R258 HydrophobicContact CD1-CB 3.97Å; Y252-R258 HydrophobicContact CD1-CG 4.14Å; Y252-R258 HydrophobicContact CD2-CG 4.11Å; Y252-R258 HydrophobicContact CE1-CB 3.96Å; Y252-R258 HydrophobicContact CE1-CG 3.95Å; Y252-R258 HydrophobicContact CE2-CG 3.9Å; Y252-R258 HydrophobicContact CG-CB 4.4Å; Y252-R258 HydrophobicContact CG-CG 4.22Å; Y252-Y261 HydrophobicContact CE1-CD1 4.37Å; Y252-Y261 HydrophobicContact CE1-CG 4.27Å; Y252-Y261 WeakPolarHBondContact OH-CD1 3.2Å; Y252-N262 PolarHBondContact OH-OD1 2.03Å |
| 253 | M | 95.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 49 Ų | 49 | 31% | 0.305 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -91.1 | -19.9 | 171.3 | -67.3 | -70.3 | -66.4 | 0 | 0 | 111.5 | Y219 F238 L239 V241 G251 | Y219-M253 HydrophobicContact CD2-SD 3.6Å; Y219-M253 HydrophobicContact CG-SD 4.13Å; F238-M253 HydrophobicContact CB-CB 4.01Å; F238-M253 HydrophobicContact CB-CE 4.23Å; F238-M253 HydrophobicContact CB-CG 4.15Å; F238-M253 WeakPolarHBondContact O-CB 3.45Å; L239-M253 PolarHBondContact O-N 3.35Å; V241-M253 HydrophobicContact CG1-CG 4.03Å; V241-M253 HydrophobicContact CG2-CG 4.47Å; G251-M253 PolarHBondContact O-N 3Å |
| 254 | N | 93.4 | Very high | 92.9 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | trans | -149.7 | 152.2 | -178.5 | -161.3 | -69.5 | 0 | 0 | 0 | 110.8 | E237 F238 L239 K256 | E237-N254 PolarHBondContact OE1-ND2 3.25Å; F238-N254 WeakPolarHBondContact O-CB 3.21Å; L239-N254 HydrophobicContact CD2-CB 3.94Å; L239-N254 PolarHBondContact O-N 3.42Å; L239-N254 VanDerWaalsContact O-N 3.15Å; N254-K256 VanDerWaalsContact OD1-CB 3.29Å; N254-K256 WeakPolarHBondContact OD1-CB 3.09Å; N254-K256 WeakPolarHBondContact OD1-CD 3.5Å; N254-K256 WeakPolarHBondContact OD1-CG 3.11Å; N254-K256 PolarHBondContact OD1-N 3.43Å | ||
| 255 | D | 94.6 | Very high | 92.9 | Very high | 101 Ų | 101 | 51.6 Ų | 51.6 | 54% | 0.54 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -85.1 | -14 | -178 | -69.4 | 5.2 | 0 | 0 | 0 | 113 | I257 R258 | D255-I257 PolarHBondContact O-N 3.37Å; D255-R258 VanDerWaalsContact CG-NH1 3.26Å; D255-R258 PolarHBondContact O-N 2.94Å; D255-R258 IonicContact OD1-CZ 2.82Å; D255-R258 IonicContact OD1-NE 3.53Å; D255-R258 IonicContact OD1-NH1 2.86Å; D255-R258 PolarHBondContact OD1-NH1 3.2Å; D255-R258 IonicContact OD1-NH2 2.72Å; D255-R258 PolarHBondContact OD1-NH2 2.76Å; D255-R258 IonicContact OD2-NH1 3.9Å; D255-R258 PolarHBondContact OD2-NH1 2.7Å |
| 256 | K | 93.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 56.4 Ų | 56.4 | 45% | 0.452 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -33.1 | -175.6 | -85.6 | 170 | 173.4 | 165.2 | 0 | 115.5 | E237 L239 N254 Y282 | E237-K256 IonicContact OE1-NZ 3.82Å; E237-K256 PolarHBondContact OE1-NZ 3.35Å; E237-K256 IonicContact OE2-NZ 3Å; E237-K256 PolarHBondContact OE2-NZ 2.75Å; L239-K256 HydrophobicContact CD2-CB 4.39Å; L239-K256 HydrophobicContact CD2-CD 4.34Å; N254-K256 VanDerWaalsContact OD1-CB 3.29Å; N254-K256 WeakPolarHBondContact OD1-CB 3.09Å; N254-K256 WeakPolarHBondContact OD1-CD 3.5Å; N254-K256 WeakPolarHBondContact OD1-CG 3.11Å; N254-K256 PolarHBondContact OD1-N 3.43Å; K256-Y282 HydrophobicContact CD-CE2 4.05Å |
| 257 | I | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 1 | -177.9 | 68.1 | 167.6 | 0 | 0 | 0 | 112.6 | I230 L239 L240 D255 D259 D260 Y261 Y282 W285 | I230-I257 HydrophobicContact CG2-CD1 4.32Å; L239-I257 HydrophobicContact CB-CD1 3.69Å; L239-I257 HydrophobicContact CB-CG1 4.08Å; L239-I257 HydrophobicContact CD1-CD1 4.39Å; L239-I257 HydrophobicContact CD1-CG2 4.1Å; L240-I257 HydrophobicContact CB-CD1 4.03Å; D255-I257 PolarHBondContact O-N 3.37Å; I257-D259 PolarHBondContact O-N 2.8Å; I257-D260 PolarHBondContact O-N 2.89Å; I257-Y261 WeakPolarHBondContact O-CB 3.17Å; I257-Y261 PolarHBondContact O-N 3.29Å; I257-Y282 HydrophobicContact CG2-CD1 4.11Å; I257-Y282 HydrophobicContact CG2-CG 4.13Å; I257-W285 HydrophobicContact CB-CH2 3.78Å; I257-W285 HydrophobicContact CB-CZ2 3.74Å; I257-W285 HydrophobicContact CG2-CH2 4.44Å; I257-W285 HydrophobicContact CG2-CZ2 3.93Å |
| 258 | R | 95.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -49.4 | -172.3 | 176.7 | -178.5 | -70.3 | 149.4 | 7.9 | 111.2 | Y252 D255 D260 Y261 N262 | Y252-R258 HydrophobicContact CD1-CB 3.97Å; Y252-R258 HydrophobicContact CD1-CG 4.14Å; Y252-R258 HydrophobicContact CD2-CG 4.11Å; Y252-R258 HydrophobicContact CE1-CB 3.96Å; Y252-R258 HydrophobicContact CE1-CG 3.95Å; Y252-R258 HydrophobicContact CE2-CG 3.9Å; Y252-R258 HydrophobicContact CG-CB 4.4Å; Y252-R258 HydrophobicContact CG-CG 4.22Å; D255-R258 VanDerWaalsContact CG-NH1 3.26Å; D255-R258 PolarHBondContact O-N 2.94Å; D255-R258 IonicContact OD1-CZ 2.82Å; D255-R258 IonicContact OD1-NE 3.53Å; D255-R258 IonicContact OD1-NH1 2.86Å; D255-R258 PolarHBondContact OD1-NH1 3.2Å; D255-R258 IonicContact OD1-NH2 2.72Å; D255-R258 PolarHBondContact OD1-NH2 2.76Å; D255-R258 IonicContact OD2-NH1 3.9Å; D255-R258 PolarHBondContact OD2-NH1 2.7Å; R258-D260 VanDerWaalsContact C-N 3.26Å; R258-D260 PolarHBondContact O-N 3.27Å; R258-Y261 PolarHBondContact O-N 3.45Å; R258-N262 WeakPolarHBondContact O-CB 3.43Å; R258-N262 VanDerWaalsContact O-CG 3.3Å; R258-N262 PolarHBondContact O-N 2.83Å; R258-N262 PolarHBondContact O-ND2 2.89Å |
| 259 | D | 95.9 | Very high | 93.6 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.1 | -33.3 | -177.8 | -72.1 | 1.6 | 0 | 0 | 0 | 112 | I257 Y263 K308 | I257-D259 PolarHBondContact O-N 2.8Å; D259-Y263 WeakPolarHBondContact O-CB 3.14Å; D259-Y263 PolarHBondContact O-N 3.46Å; D259-K308 VanDerWaalsContact C-NZ 3.27Å; D259-K308 PolarHBondContact O-NZ 3.04Å |
| 260 | D | 96 | Very high | 92.9 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -75.8 | -41.8 | 178.6 | -60.5 | -41.7 | 0 | 0 | 0 | 111.1 | I257 R258 Y263 L264 W285 Y301 N303 K308 | I257-D260 PolarHBondContact O-N 2.89Å; R258-D260 VanDerWaalsContact C-N 3.26Å; R258-D260 PolarHBondContact O-N 3.27Å; D260-Y263 WeakPolarHBondContact O-CB 3.48Å; D260-Y263 PolarHBondContact O-N 3.23Å; D260-L264 WeakPolarHBondContact O-CG 3.2Å; D260-L264 PolarHBondContact O-N 2.9Å; D260-L264 VanDerWaalsContact O-N 3.16Å; D260-W285 HydrophobicContact CB-CH2 3.44Å; D260-W285 VanDerWaalsContact CB-CH2 3.44Å; D260-W285 HydrophobicContact CB-CZ2 3.41Å; D260-W285 VanDerWaalsContact CB-CZ2 3.41Å; D260-W285 HydrophobicContact CB-CZ3 4.35Å; D260-Y301 HydrophobicContact CB-CE1 3.97Å; D260-Y301 WeakPolarHBondContact CB-OH 3.43Å; D260-Y301 VanDerWaalsContact CG-OH 3.22Å; D260-Y301 PolarHBondContact OD1-OH 3.29Å; D260-N303 PolarHBondContact OD1-ND2 3.01Å; D260-K308 WeakPolarHBondContact OD1-CE 3.49Å; D260-K308 IonicContact OD1-NZ 3.4Å |
| 261 | Y | 95.2 | Very high | 92.2 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.1 | -168.1 | -78.1 | 0 | 0 | 0 | 111.2 | L240 V250 Y252 I257 R258 Y263 L264 V265 F273 I275 W285 | L240-Y261 HydrophobicContact CD1-CD1 4.48Å; L240-Y261 HydrophobicContact CD1-CD2 3.58Å; L240-Y261 HydrophobicContact CD1-CE2 3.67Å; L240-Y261 HydrophobicContact CD1-CG 4.03Å; V250-Y261 HydrophobicContact CG1-CE1 4.17Å; V250-Y261 HydrophobicContact CG1-CE2 4.39Å; V250-Y261 VanDerWaalsContact CG1-OH 3.25Å; V250-Y261 WeakPolarHBondContact CG1-OH 2.99Å; V250-Y261 HydrophobicContact CG2-CD1 4.39Å; V250-Y261 HydrophobicContact CG2-CE1 3.76Å; Y252-Y261 HydrophobicContact CE1-CD1 4.37Å; Y252-Y261 HydrophobicContact CE1-CG 4.27Å; Y252-Y261 WeakPolarHBondContact OH-CD1 3.2Å; I257-Y261 WeakPolarHBondContact O-CB 3.17Å; I257-Y261 PolarHBondContact O-N 3.29Å; R258-Y261 PolarHBondContact O-N 3.45Å; Y261-Y263 VanDerWaalsContact C-N 3.3Å; Y261-Y263 PolarHBondContact O-N 2.81Å; Y261-L264 WeakPolarHBondContact O-CB 3.32Å; Y261-L264 PolarHBondContact O-N 3.2Å; Y261-V265 HydrophobicContact CD1-CG2 3.72Å; Y261-V265 HydrophobicContact CE1-CG2 3.49Å; Y261-V265 VanDerWaalsContact CE1-CG2 3.49Å; Y261-V265 WeakPolarHBondContact O-CG2 3.45Å; Y261-V265 PolarHBondContact O-N 3.09Å; Y261-F273 HydrophobicContact CD1-CZ 4.16Å; Y261-F273 HydrophobicContact CD2-CE2 4.12Å; Y261-F273 HydrophobicContact CD2-CZ 4.11Å; Y261-F273 AromaticContact CE1-CZ 3.77Å; Y261-F273 HydrophobicContact CE1-CZ 3.77Å; Y261-F273 AromaticContact CE2-CE2 3.64Å; Y261-F273 HydrophobicContact CE2-CE2 3.64Å; Y261-F273 AromaticContact CE2-CZ 3.71Å; Y261-F273 HydrophobicContact CE2-CZ 3.71Å; Y261-F273 HydrophobicContact CG-CZ 4.31Å; Y261-F273 AromaticContact CZ-CE2 3.86Å; Y261-F273 AromaticContact CZ-CZ 3.51Å; Y261-I275 HydrophobicContact CD2-CD1 3.73Å; Y261-I275 HydrophobicContact CE2-CD1 3.85Å; Y261-W285 HydrophobicContact CD2-CZ3 4.35Å |
| 262 | N | 94.5 | Very high | 91.7 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 32% | 0.321 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 176.7 | -75 | -18.9 | 0 | 0 | 0 | 111.9 | Y252 R258 L264 V265 E266 | Y252-N262 PolarHBondContact OH-OD1 2.03Å; R258-N262 WeakPolarHBondContact O-CB 3.43Å; R258-N262 VanDerWaalsContact O-CG 3.3Å; R258-N262 PolarHBondContact O-N 2.83Å; R258-N262 PolarHBondContact O-ND2 2.89Å; N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 3.34Å; N262-V265 WeakPolarHBondContact O-CB 3.49Å; N262-V265 PolarHBondContact O-N 3.03Å; N262-E266 WeakPolarHBondContact O-CG 3.21Å; N262-E266 PolarHBondContact O-N 3.12Å |
| 263 | Y | 95.9 | Very high | 91.5 | Very high | 63 Ų | 63 | 62.1 Ų | 62.1 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59 | -39.1 | 173.3 | 169.5 | -90 | 0 | 0 | 0 | 112.1 | D259 D260 Y261 E266 T267 Y301 K308 V310 | D259-Y263 WeakPolarHBondContact O-CB 3.14Å; D259-Y263 PolarHBondContact O-N 3.46Å; D260-Y263 WeakPolarHBondContact O-CB 3.48Å; D260-Y263 PolarHBondContact O-N 3.23Å; Y261-Y263 VanDerWaalsContact C-N 3.3Å; Y261-Y263 PolarHBondContact O-N 2.81Å; Y263-E266 PolarHBondContact O-N 3.44Å; Y263-T267 WeakPolarHBondContact CE1-OG1 3.29Å; Y263-T267 VanDerWaalsContact O-CB 3.31Å; Y263-T267 WeakPolarHBondContact O-CB 3.43Å; Y263-T267 PolarHBondContact O-N 3.4Å; Y263-T267 PolarHBondContact O-OG1 3.15Å; Y263-Y301 HydrophobicContact CD1-CD2 4.19Å; Y263-Y301 AromaticContact CD1-CE2 3.58Å; Y263-Y301 HydrophobicContact CD1-CE2 3.58Å; Y263-Y301 HydrophobicContact CE1-CD2 4.1Å; Y263-Y301 AromaticContact CE1-CE2 3.74Å; Y263-Y301 HydrophobicContact CE1-CE2 3.74Å; Y263-K308 HydrophobicContact CD1-CB 4.09Å; Y263-K308 HydrophobicContact CD1-CD 4.05Å; Y263-K308 HydrophobicContact CD2-CB 4.04Å; Y263-K308 HydrophobicContact CD2-CD 3.69Å; Y263-K308 HydrophobicContact CE1-CB 3.86Å; Y263-K308 HydrophobicContact CE2-CB 3.78Å; Y263-K308 HydrophobicContact CE2-CD 4.32Å; Y263-K308 HydrophobicContact CG-CB 4.19Å; Y263-K308 HydrophobicContact CG-CD 3.53Å; Y263-K308 HydrophobicContact CG-CG 4.47Å; Y263-V310 HydrophobicContact CE1-CG2 3.82Å |
| 264 | L | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 176 | -64.6 | 177.5 | 0 | 0 | 0 | 112.3 | D260 Y261 N262 E266 T267 F268 F273 W285 I287 Y301 V310 | D260-L264 WeakPolarHBondContact O-CG 3.2Å; D260-L264 PolarHBondContact O-N 2.9Å; D260-L264 VanDerWaalsContact O-N 3.16Å; Y261-L264 WeakPolarHBondContact O-CB 3.32Å; Y261-L264 PolarHBondContact O-N 3.2Å; N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 3.34Å; L264-E266 VanDerWaalsContact C-N 3.32Å; L264-E266 PolarHBondContact O-N 3.25Å; L264-T267 PolarHBondContact O-N 3.2Å; L264-F268 HydrophobicContact CB-CD2 4.3Å; L264-F268 HydrophobicContact CB-CE2 4.39Å; L264-F268 HydrophobicContact CD2-CE2 3.91Å; L264-F268 VanDerWaalsContact O-CD2 3.3Å; L264-F268 WeakPolarHBondContact O-CD2 3.48Å; L264-F268 PolarHBondContact O-N 3.02Å; L264-F273 HydrophobicContact CB-CD1 4.47Å; L264-F273 HydrophobicContact CB-CE1 3.8Å; L264-F273 HydrophobicContact CB-CE2 3.98Å; L264-F273 HydrophobicContact CB-CZ 3.52Å; L264-F273 HydrophobicContact CD1-CD2 4.47Å; L264-F273 HydrophobicContact CD1-CE2 3.92Å; L264-F273 HydrophobicContact CD1-CZ 4.29Å; L264-W285 HydrophobicContact CD1-CE3 3.57Å; L264-W285 HydrophobicContact CD1-CZ3 3.71Å; L264-I287 HydrophobicContact CD1-CD1 3.67Å; L264-I287 HydrophobicContact CD1-CG1 4.02Å; L264-Y301 HydrophobicContact CD1-CG 4.48Å; L264-Y301 HydrophobicContact CD2-CD2 3.63Å; L264-Y301 HydrophobicContact CD2-CE2 4.29Å; L264-Y301 HydrophobicContact CD2-CG 4.01Å; L264-Y301 HydrophobicContact CG-CD2 4.35Å; L264-V310 HydrophobicContact CD2-CG2 3.92Å |
| 265 | V | 93.1 | Very high | 91.3 | Very high | 65 Ų | 65 | 59.7 Ų | 59.7 | 39% | 0.394 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 172.8 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | Y261 N262 G269 F273 | Y261-V265 HydrophobicContact CD1-CG2 3.72Å; Y261-V265 HydrophobicContact CE1-CG2 3.49Å; Y261-V265 VanDerWaalsContact CE1-CG2 3.49Å; Y261-V265 WeakPolarHBondContact O-CG2 3.45Å; Y261-V265 PolarHBondContact O-N 3.09Å; N262-V265 WeakPolarHBondContact O-CB 3.49Å; N262-V265 PolarHBondContact O-N 3.03Å; V265-G269 WeakPolarHBondContact O-CA 3.34Å; V265-G269 PolarHBondContact O-N 2.79Å; V265-F273 HydrophobicContact CG2-CE1 3.84Å; V265-F273 HydrophobicContact CG2-CZ 4.09Å |
| 266 | E | 93.9 | Very high | 91.2 | Very high | 157 Ų | 157 | 59.3 Ų | 59.3 | 73% | 0.734 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.8 | -38.7 | 176.5 | -70.6 | 172.6 | -172.6 | 0 | 0 | 112.3 | N262 Y263 L264 | N262-E266 WeakPolarHBondContact O-CG 3.21Å; N262-E266 PolarHBondContact O-N 3.12Å; Y263-E266 PolarHBondContact O-N 3.44Å; L264-E266 VanDerWaalsContact C-N 3.32Å; L264-E266 PolarHBondContact O-N 3.25Å |
| 267 | T | 94.7 | Very high | 91 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | -178 | -61 | 0 | 0 | 0 | 0 | 112.3 | Y263 L264 V310 | Y263-T267 WeakPolarHBondContact CE1-OG1 3.29Å; Y263-T267 VanDerWaalsContact O-CB 3.31Å; Y263-T267 WeakPolarHBondContact O-CB 3.43Å; Y263-T267 PolarHBondContact O-N 3.4Å; Y263-T267 PolarHBondContact O-OG1 3.15Å; L264-T267 PolarHBondContact O-N 3.2Å; T267-V310 HydrophobicContact CG2-CG2 4.11Å |
| 268 | F | 92.1 | Very high | 90.9 | Very high | 27 Ų | 27 | 59.5 Ų | 59.5 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -95.8 | -16.1 | -175.6 | -62.3 | -53.9 | 0 | 0 | 0 | 113.4 | L264 L270 E271 F273 I287 V289 Y299 V310 | L264-F268 HydrophobicContact CB-CD2 4.3Å; L264-F268 HydrophobicContact CB-CE2 4.39Å; L264-F268 HydrophobicContact CD2-CE2 3.91Å; L264-F268 VanDerWaalsContact O-CD2 3.3Å; L264-F268 WeakPolarHBondContact O-CD2 3.48Å; L264-F268 PolarHBondContact O-N 3.02Å; F268-L270 PolarHBondContact O-N 2.94Å; F268-L270 VanDerWaalsContact O-N 3.12Å; F268-E271 HydrophobicContact CB-CB 4.22Å; F268-E271 WeakPolarHBondContact O-CB 3.49Å; F268-E271 PolarHBondContact O-N 3.18Å; F268-F273 HydrophobicContact CD2-CB 4.25Å; F268-F273 AromaticContact CD2-CD1 3.89Å; F268-F273 HydrophobicContact CD2-CD1 3.89Å; F268-F273 HydrophobicContact CD2-CG 4.16Å; F268-I287 HydrophobicContact CE2-CG2 4Å; F268-V289 HydrophobicContact CD1-CG1 4.25Å; F268-V289 HydrophobicContact CD1-CG2 3.74Å; F268-V289 HydrophobicContact CD2-CG2 3.89Å; F268-V289 HydrophobicContact CE1-CG2 3.5Å; F268-V289 HydrophobicContact CE2-CG2 3.63Å; F268-V289 HydrophobicContact CG-CG1 4.44Å; F268-V289 HydrophobicContact CG-CG2 3.93Å; F268-V289 HydrophobicContact CZ-CG2 3.42Å; F268-V289 VanDerWaalsContact CZ-CG2 3.42Å; F268-Y299 HydrophobicContact CE1-CD1 4.45Å; F268-Y299 HydrophobicContact CE1-CD2 4.19Å; F268-Y299 HydrophobicContact CE1-CE1 4.38Å; F268-Y299 HydrophobicContact CE1-CE2 4.12Å; F268-Y299 HydrophobicContact CE1-CG 4.35Å; F268-Y299 HydrophobicContact CZ-CD1 4.47Å; F268-Y299 HydrophobicContact CZ-CD2 4.08Å; F268-Y299 HydrophobicContact CZ-CE2 4.47Å; F268-Y299 HydrophobicContact CZ-CG 4.08Å; F268-V310 HydrophobicContact CE1-CG1 4.27Å; F268-V310 HydrophobicContact CZ-CG1 3.71Å |
| 269 | G | 84.5 | Confident | 90.7 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -112.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | V265 E271 | V265-G269 WeakPolarHBondContact O-CA 3.34Å; V265-G269 PolarHBondContact O-N 2.79Å; G269-E271 VanDerWaalsContact C-N 3.34Å |
| 270 | L | 72.1 | Confident | 90.3 | Very high | 169 Ų | 169 | 56.3 Ų | 56.3 | 89% | 0.885 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -16.9 | -179.8 | -63.4 | 178.9 | 0 | 0 | 0 | 113.4 | F268 | F268-L270 PolarHBondContact O-N 2.94Å; F268-L270 VanDerWaalsContact O-N 3.12Å |
| 271 | E | 76.9 | Confident | 90 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 29% | 0.285 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -69 | 138.4 | 170.6 | -61.4 | -71.5 | 138.9 | 0 | 0 | 108.9 | F268 G269 V289 N291 N294 | F268-E271 HydrophobicContact CB-CB 4.22Å; F268-E271 WeakPolarHBondContact O-CB 3.49Å; F268-E271 PolarHBondContact O-N 3.18Å; G269-E271 VanDerWaalsContact C-N 3.34Å; E271-V289 HydrophobicContact CB-CG1 3.61Å; E271-V289 HydrophobicContact CG-CG1 4.22Å; E271-N291 PolarHBondContact OE1-ND2 2.74Å; E271-N291 PolarHBondContact OE2-ND2 2.83Å; E271-N294 PolarHBondContact OE2-ND2 2.88Å; E271-N294 VanDerWaalsContact OE2-ND2 3.12Å |
| 272 | K | 83.6 | Confident | 89.9 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 154.5 | 173.5 | -65.8 | -67.9 | -178.5 | 166.5 | 0 | 108.8 | T247 S248 V289 F290 W376 | T247-K272 PolarHBondContact OG1-NZ 2.99Å; S248-K272 PolarHBondContact O-NZ 2.77Å; K272-V289 CarbonylContact O-C 3.59Å; K272-V289 WeakPolarHBondContact O-CA 3.34Å; K272-F290 CarbonylContact C-O 3.55Å; K272-F290 PolarHBondContact N-O 2.84Å; K272-F290 PolarHBondContact O-N 2.82Å; K272-W376 HydrophobicContact CG-CE3 4.46Å; K272-W376 HydrophobicContact CG-CZ3 3.97Å |
| 273 | F | 91.8 | Very high | 89.8 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 6% | 0.057 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 150.8 | 174.9 | 70.5 | -90.4 | 0 | 0 | 0 | 110.9 | Y261 L264 V265 F268 I275 I287 M288 V289 | Y261-F273 HydrophobicContact CD1-CZ 4.16Å; Y261-F273 HydrophobicContact CD2-CE2 4.12Å; Y261-F273 HydrophobicContact CD2-CZ 4.11Å; Y261-F273 AromaticContact CE1-CZ 3.77Å; Y261-F273 HydrophobicContact CE1-CZ 3.77Å; Y261-F273 AromaticContact CE2-CE2 3.64Å; Y261-F273 HydrophobicContact CE2-CE2 3.64Å; Y261-F273 AromaticContact CE2-CZ 3.71Å; Y261-F273 HydrophobicContact CE2-CZ 3.71Å; Y261-F273 HydrophobicContact CG-CZ 4.31Å; Y261-F273 AromaticContact CZ-CE2 3.86Å; Y261-F273 AromaticContact CZ-CZ 3.51Å; L264-F273 HydrophobicContact CB-CD1 4.47Å; L264-F273 HydrophobicContact CB-CE1 3.8Å; L264-F273 HydrophobicContact CB-CE2 3.98Å; L264-F273 HydrophobicContact CB-CZ 3.52Å; L264-F273 HydrophobicContact CD1-CD2 4.47Å; L264-F273 HydrophobicContact CD1-CE2 3.92Å; L264-F273 HydrophobicContact CD1-CZ 4.29Å; V265-F273 HydrophobicContact CG2-CE1 3.84Å; V265-F273 HydrophobicContact CG2-CZ 4.09Å; F268-F273 HydrophobicContact CD2-CB 4.25Å; F268-F273 AromaticContact CD2-CD1 3.89Å; F268-F273 HydrophobicContact CD2-CD1 3.89Å; F268-F273 HydrophobicContact CD2-CG 4.16Å; F273-I275 HydrophobicContact CD2-CG1 4.45Å; F273-I275 HydrophobicContact CE2-CD1 4.5Å; F273-I275 HydrophobicContact CE2-CG1 4.23Å; F273-I287 HydrophobicContact CB-CG2 3.68Å; F273-I287 HydrophobicContact CD2-CG2 3.81Å; F273-I287 HydrophobicContact CG-CG2 4.04Å; F273-M288 CarbonylContact C-O 3.57Å; F273-M288 WeakPolarHBondContact CA-O 3.27Å; F273-V289 HydrophobicContact CB-CG2 4.11Å |
| 274 | S | 90.7 | Very high | 89.7 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.8 | 169.9 | 56 | 0 | 0 | 0 | 0 | 109.5 | Q276 M288 F290 | S274-Q276 PolarHBondContact O-N 3Å; S274-Q276 PolarHBondContact OG-NE2 3.24Å; S274-M288 PolarHBondContact N-O 3.46Å; S274-M288 PolarHBondContact O-N 2.87Å; S274-F290 WeakPolarHBondContact OG-CE1 3.26Å |
| 275 | I | 93.4 | Very high | 89.7 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 113.4 | 174.7 | -66.1 | 169.5 | 0 | 0 | 0 | 107.5 | I230 Y261 F273 I278 W285 I287 | I230-I275 HydrophobicContact CD1-CB 4.04Å; I230-I275 HydrophobicContact CD1-CD1 3.46Å; I230-I275 VanDerWaalsContact CD1-CD1 3.46Å; I230-I275 HydrophobicContact CD1-CG1 4.27Å; I230-I275 HydrophobicContact CD1-CG2 4.33Å; Y261-I275 HydrophobicContact CD2-CD1 3.73Å; Y261-I275 HydrophobicContact CE2-CD1 3.85Å; F273-I275 HydrophobicContact CD2-CG1 4.45Å; F273-I275 HydrophobicContact CE2-CD1 4.5Å; F273-I275 HydrophobicContact CE2-CG1 4.23Å; I275-I278 HydrophobicContact CD1-CD1 4.42Å; I275-I278 HydrophobicContact CG2-CD1 3.7Å; I275-I278 HydrophobicContact CG2-CG1 3.42Å; I275-I278 VanDerWaalsContact CG2-CG1 3.42Å; I275-W285 HydrophobicContact CD1-CE3 3.67Å; I275-W285 HydrophobicContact CD1-CZ3 3.61Å; I275-W285 HydrophobicContact CG1-CE3 4.08Å; I275-W285 HydrophobicContact CG1-CZ3 4.45Å; I275-I287 HydrophobicContact CB-CD1 4.4Å; I275-I287 HydrophobicContact CG1-CD1 3.74Å |
| 276 | Q | 91.9 | Very high | 89.8 | Confident | 93 Ų | 93 | 65.2 Ų | 65.2 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -34.7 | 179.8 | -58.9 | -62.9 | -51.9 | 0 | 0 | 111.4 | S274 L286 M288 | S274-Q276 PolarHBondContact O-N 3Å; S274-Q276 PolarHBondContact OG-NE2 3.24Å; Q276-L286 HydrophobicContact CB-CB 4.11Å; Q276-L286 HydrophobicContact CB-CD2 3.95Å; Q276-L286 HydrophobicContact CB-CG 3.98Å; Q276-L286 WeakPolarHBondContact CB-O 3.42Å; Q276-L286 HydrophobicContact CG-CG 4.5Å; Q276-L286 PolarHBondContact N-O 2.85Å; Q276-M288 HydrophobicContact CG-CB 3.8Å |
| 277 | S | 90.4 | Very high | 89.9 | Confident | 72 Ų | 72 | 57.7 Ų | 57.7 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 151.2 | 177.9 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | W285 L286 | S277-W285 CarbonylContact O-C 3.41Å; S277-W285 VanDerWaalsContact O-CA 3.28Å; S277-W285 WeakPolarHBondContact O-CA 3.28Å; S277-L286 PolarHBondContact N-O 2.05Å; S277-L286 PolarHBondContact O-N 2.84Å |
| 278 | I | 91.9 | Very high | 90 | Very high | 37 Ų | 37 | 56.8 Ų | 56.8 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.7 | 174.1 | -61.6 | 165.1 | 0 | 0 | 0 | 109.7 | I230 I275 Y282 W285 | I230-I278 HydrophobicContact CD1-CD1 4.38Å; I230-I278 HydrophobicContact CG2-CD1 3.55Å; I275-I278 HydrophobicContact CD1-CD1 4.42Å; I275-I278 HydrophobicContact CG2-CD1 3.7Å; I275-I278 HydrophobicContact CG2-CG1 3.42Å; I275-I278 VanDerWaalsContact CG2-CG1 3.42Å; I278-Y282 HydrophobicContact CG2-CD1 3.71Å; I278-W285 HydrophobicContact CD1-CD2 4.49Å; I278-W285 HydrophobicContact CG1-CB 4.33Å; I278-W285 HydrophobicContact CG1-CD2 4.08Å; I278-W285 HydrophobicContact CG1-CG 3.88Å; I278-W285 HydrophobicContact CG2-CG 4.34Å |
| 279 | S | 90.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | trans | -61.7 | 153.8 | 170.1 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | Q281 Y282 N283 R284 | S279-Q281 PolarHBondContact O-N 2.75Å; S279-Q281 VanDerWaalsContact O-N 3.13Å; S279-Y282 WeakPolarHBondContact O-CA 3.34Å; S279-Y282 PolarHBondContact O-N 3.14Å; S279-Y282 PolarHBondContact OG-N 3.07Å; S279-N283 PolarHBondContact OG-N 2.8Å; S279-N283 VanDerWaalsContact OG-N 3.16Å; S279-N283 PolarHBondContact OG-OD1 2.97Å; S279-R284 WeakPolarHBondContact CB-O 3.3Å; S279-R284 PolarHBondContact N-O 2.86Å; S279-R284 PolarHBondContact OG-N 3.4Å; S279-R284 PolarHBondContact OG-O 2.97Å | ||
| 280 | Q | 86.5 | Confident | 90.5 | Very high | 93 Ų | 93 | 54.7 Ų | 54.7 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34 | 176.8 | -68 | -179 | 3 | 0 | 0 | 114.6 | Y234 Y282 | Y234-Q280 HydrophobicContact CD2-CG 4.39Å; Y234-Q280 HydrophobicContact CE2-CG 3.58Å; Y234-Q280 PolarHBondContact OH-NE2 3.16Å; Q280-Y282 PolarHBondContact O-N 3.18Å |
| 281 | Q | 90.1 | Very high | 91.4 | Very high | 130 Ų | 130 | 46.8 Ų | 46.8 | 61% | 0.607 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | 3.7 | 178.8 | -59.4 | 79.6 | 15 | 0 | 0 | 112.9 | S279 N283 | S279-Q281 PolarHBondContact O-N 2.75Å; S279-Q281 VanDerWaalsContact O-N 3.13Å; Q281-N283 PolarHBondContact O-N 2.84Å; Q281-N283 VanDerWaalsContact O-N 3.08Å |
| 282 | Y | 93.1 | Very high | 92 | Very high | 35 Ų | 35 | 44 Ų | 44 | 14% | 0.137 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 55.9 | 20.5 | -176.7 | -47.2 | -62.2 | 0 | 0 | 0 | 115 | N232 L239 K256 I257 I278 S279 Q280 W285 | N232-Y282 WeakPolarHBondContact CB-OH 3.36Å; N232-Y282 PolarHBondContact ND2-OH 3.35Å; L239-Y282 HydrophobicContact CD1-CD1 4.09Å; L239-Y282 HydrophobicContact CD1-CE1 3.47Å; L239-Y282 VanDerWaalsContact CD1-CE1 3.47Å; K256-Y282 HydrophobicContact CD-CE2 4.05Å; I257-Y282 HydrophobicContact CG2-CD1 4.11Å; I257-Y282 HydrophobicContact CG2-CG 4.13Å; I278-Y282 HydrophobicContact CG2-CD1 3.71Å; S279-Y282 WeakPolarHBondContact O-CA 3.34Å; S279-Y282 PolarHBondContact O-N 3.14Å; S279-Y282 PolarHBondContact OG-N 3.07Å; Q280-Y282 PolarHBondContact O-N 3.18Å; Y282-W285 PolarHBondContact O-NE1 2.86Å |
| 283 | N | 93.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | trans | -112 | -0.8 | -172.1 | 77.8 | -26.6 | 0 | 0 | 0 | 113.5 | S279 Q281 L302 N303 | S279-N283 PolarHBondContact OG-N 2.8Å; S279-N283 VanDerWaalsContact OG-N 3.16Å; S279-N283 PolarHBondContact OG-OD1 2.97Å; Q281-N283 PolarHBondContact O-N 2.84Å; Q281-N283 VanDerWaalsContact O-N 3.08Å; N283-L302 CarbonylContact O-C 3.48Å; N283-L302 WeakPolarHBondContact O-CA 3.39Å; N283-N303 HydrophobicContact CB-CB 4.33Å; N283-N303 WeakPolarHBondContact CB-O 3.34Å; N283-N303 PolarHBondContact O-N 2.82Å | ||
| 284 | R | 94 | Very high | 92.5 | Very high | 135 Ų | 135 | 43 Ų | 43 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 118.5 | 172.4 | -52.1 | -172.2 | 179 | -175.6 | -2.4 | 111.1 | S279 Y301 L302 | S279-R284 WeakPolarHBondContact CB-O 3.3Å; S279-R284 PolarHBondContact N-O 2.86Å; S279-R284 PolarHBondContact OG-N 3.4Å; S279-R284 PolarHBondContact OG-O 2.97Å; R284-Y301 CarbonylContact C-O 3.57Å; R284-Y301 VanDerWaalsContact CA-O 3.28Å; R284-Y301 WeakPolarHBondContact CA-O 3.28Å; R284-L302 HydrophobicContact CB-CD2 4.04Å; R284-L302 HydrophobicContact CG-CD2 3.61Å |
| 285 | W | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.7 | -177.7 | -47.3 | -1.4 | 0 | 0 | 0 | 109.7 | I257 D260 Y261 L264 I275 S277 I278 Y282 I287 Y301 | I257-W285 HydrophobicContact CB-CH2 3.78Å; I257-W285 HydrophobicContact CB-CZ2 3.74Å; I257-W285 HydrophobicContact CG2-CH2 4.44Å; I257-W285 HydrophobicContact CG2-CZ2 3.93Å; D260-W285 HydrophobicContact CB-CH2 3.44Å; D260-W285 VanDerWaalsContact CB-CH2 3.44Å; D260-W285 HydrophobicContact CB-CZ2 3.41Å; D260-W285 VanDerWaalsContact CB-CZ2 3.41Å; D260-W285 HydrophobicContact CB-CZ3 4.35Å; Y261-W285 HydrophobicContact CD2-CZ3 4.35Å; L264-W285 HydrophobicContact CD1-CE3 3.57Å; L264-W285 HydrophobicContact CD1-CZ3 3.71Å; I275-W285 HydrophobicContact CD1-CE3 3.67Å; I275-W285 HydrophobicContact CD1-CZ3 3.61Å; I275-W285 HydrophobicContact CG1-CE3 4.08Å; I275-W285 HydrophobicContact CG1-CZ3 4.45Å; S277-W285 CarbonylContact O-C 3.41Å; S277-W285 VanDerWaalsContact O-CA 3.28Å; S277-W285 WeakPolarHBondContact O-CA 3.28Å; I278-W285 HydrophobicContact CD1-CD2 4.49Å; I278-W285 HydrophobicContact CG1-CB 4.33Å; I278-W285 HydrophobicContact CG1-CD2 4.08Å; I278-W285 HydrophobicContact CG1-CG 3.88Å; I278-W285 HydrophobicContact CG2-CG 4.34Å; Y282-W285 PolarHBondContact O-NE1 2.86Å; W285-I287 HydrophobicContact CB-CD1 3.71Å; W285-I287 HydrophobicContact CB-CG1 4.29Å; W285-I287 HydrophobicContact CE3-CD1 4Å; W285-Y301 HydrophobicContact CB-CD1 4.01Å; W285-Y301 AromaticContact CD1-CD1 3.92Å; W285-Y301 AromaticContact CD2-CD1 3.73Å; W285-Y301 HydrophobicContact CD2-CD1 3.73Å; W285-Y301 HydrophobicContact CD2-CE1 4.13Å; W285-Y301 HydrophobicContact CE3-CD1 4.28Å; W285-Y301 AromaticContact CG-CD1 3.62Å; W285-Y301 HydrophobicContact CG-CD1 3.62Å; W285-Y301 HydrophobicContact CG-CE1 4.32Å; W285-Y301 HydrophobicContact CZ2-CE1 4.46Å; W285-Y301 PolarHBondContact N-O 3.35Å; W285-Y301 PolarHBondContact O-N 3.19Å |
| 286 | L | 94.9 | Very high | 92.6 | Very high | 54 Ų | 54 | 41.9 Ų | 41.9 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 121.3 | 167.1 | -172.7 | 67.2 | 0 | 0 | 0 | 107.8 | Q276 S277 L298 L313 | Q276-L286 HydrophobicContact CB-CB 4.11Å; Q276-L286 HydrophobicContact CB-CD2 3.95Å; Q276-L286 HydrophobicContact CB-CG 3.98Å; Q276-L286 WeakPolarHBondContact CB-O 3.42Å; Q276-L286 HydrophobicContact CG-CG 4.5Å; Q276-L286 PolarHBondContact N-O 2.85Å; S277-L286 PolarHBondContact N-O 2.05Å; S277-L286 PolarHBondContact O-N 2.84Å; L286-L298 HydrophobicContact CD1-CD2 4.12Å; L286-L298 HydrophobicContact CD2-CD2 4.23Å; L286-L298 HydrophobicContact CG-CD2 4.32Å; L286-L313 HydrophobicContact CD1-CD1 3.66Å |
| 287 | I | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.3 | -174.6 | -51.6 | -60 | 0 | 0 | 0 | 108.9 | L264 F268 F273 I275 W285 V289 L298 Y299 | L264-I287 HydrophobicContact CD1-CD1 3.67Å; L264-I287 HydrophobicContact CD1-CG1 4.02Å; F268-I287 HydrophobicContact CE2-CG2 4Å; F273-I287 HydrophobicContact CB-CG2 3.68Å; F273-I287 HydrophobicContact CD2-CG2 3.81Å; F273-I287 HydrophobicContact CG-CG2 4.04Å; I275-I287 HydrophobicContact CB-CD1 4.4Å; I275-I287 HydrophobicContact CG1-CD1 3.74Å; W285-I287 HydrophobicContact CB-CD1 3.71Å; W285-I287 HydrophobicContact CB-CG1 4.29Å; W285-I287 HydrophobicContact CE3-CD1 4Å; I287-V289 HydrophobicContact CG2-CG2 4.16Å; I287-L298 CarbonylContact O-C 3.58Å; I287-L298 WeakPolarHBondContact O-CA 3.24Å; I287-Y299 PolarHBondContact N-O 3.44Å; I287-Y299 PolarHBondContact O-N 2.89Å |
| 288 | M | 95.3 | Very high | 93 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 20% | 0.202 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.4 | 166.2 | -176 | -179.9 | -65.9 | 0 | 0 | 108.5 | F273 S274 Q276 F290 M297 L298 I316 | F273-M288 CarbonylContact C-O 3.57Å; F273-M288 WeakPolarHBondContact CA-O 3.27Å; S274-M288 PolarHBondContact N-O 3.46Å; S274-M288 PolarHBondContact O-N 2.87Å; Q276-M288 HydrophobicContact CG-CB 3.8Å; M288-F290 HydrophobicContact CG-CD1 4.37Å; M288-M297 CarbonylContact C-O 3.49Å; M288-M297 WeakPolarHBondContact CA-O 3.36Å; M288-L298 HydrophobicContact CE-CD1 4.01Å; M288-I316 HydrophobicContact CE-CD1 4.03Å; M288-I316 HydrophobicContact SD-CD1 4.4Å |
| 289 | V | 95.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.3 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | F268 E271 K272 F273 I287 N294 G296 M297 Y299 | F268-V289 HydrophobicContact CD1-CG1 4.25Å; F268-V289 HydrophobicContact CD1-CG2 3.74Å; F268-V289 HydrophobicContact CD2-CG2 3.89Å; F268-V289 HydrophobicContact CE1-CG2 3.5Å; F268-V289 HydrophobicContact CE2-CG2 3.63Å; F268-V289 HydrophobicContact CG-CG1 4.44Å; F268-V289 HydrophobicContact CG-CG2 3.93Å; F268-V289 HydrophobicContact CZ-CG2 3.42Å; F268-V289 VanDerWaalsContact CZ-CG2 3.42Å; E271-V289 HydrophobicContact CB-CG1 3.61Å; E271-V289 HydrophobicContact CG-CG1 4.22Å; K272-V289 CarbonylContact O-C 3.59Å; K272-V289 WeakPolarHBondContact O-CA 3.34Å; F273-V289 HydrophobicContact CB-CG2 4.11Å; I287-V289 HydrophobicContact CG2-CG2 4.16Å; V289-N294 PolarHBondContact O-ND2 2.96Å; V289-G296 CarbonylContact O-C 3.55Å; V289-G296 VanDerWaalsContact O-CA 3.31Å; V289-G296 WeakPolarHBondContact O-CA 3.21Å; V289-M297 PolarHBondContact N-O 3.14Å; V289-M297 PolarHBondContact O-N 2.91Å; V289-Y299 HydrophobicContact CB-CD2 4.15Å; V289-Y299 HydrophobicContact CB-CE2 3.89Å; V289-Y299 HydrophobicContact CG2-CD2 3.5Å; V289-Y299 HydrophobicContact CG2-CE2 3.6Å |
| 290 | F | 92.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 161.2 | -175.3 | 66.6 | -82 | 0 | 0 | 0 | 110.6 | K272 S274 M288 E377 | K272-F290 CarbonylContact C-O 3.55Å; K272-F290 PolarHBondContact N-O 2.84Å; K272-F290 PolarHBondContact O-N 2.82Å; S274-F290 WeakPolarHBondContact OG-CE1 3.26Å; M288-F290 HydrophobicContact CG-CD1 4.37Å; F290-E377 HydrophobicContact CD2-CB 4.25Å; F290-E377 HydrophobicContact CE2-CB 4.26Å |
| 291 | N | 91 | Very high | 93.9 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | -166.7 | 167.5 | 66.7 | 22.1 | 0 | 0 | 0 | 109.2 | E271 V293 N294 R327 W376 Y378 | E271-N291 PolarHBondContact OE1-ND2 2.74Å; E271-N291 PolarHBondContact OE2-ND2 2.83Å; N291-V293 PolarHBondContact O-N 2.91Å; N291-V293 VanDerWaalsContact OD1-C 3.24Å; N291-V293 WeakPolarHBondContact OD1-CA 3.49Å; N291-V293 WeakPolarHBondContact OD1-CG2 3.39Å; N291-V293 PolarHBondContact OD1-N 3.38Å; N291-N294 PolarHBondContact N-O 3.23Å; N291-N294 PolarHBondContact O-N 2.9Å; N291-N294 VanDerWaalsContact O-O 3.09Å; N291-N294 WeakPolarHBondContact OD1-CB 3.5Å; N291-N294 PolarHBondContact OD1-N 2.54Å; N291-R327 PolarHBondContact ND2-NH1 2.9Å; N291-W376 HydrophobicContact CB-CH2 3.64Å; N291-W376 HydrophobicContact CB-CZ3 3.67Å; N291-Y378 WeakPolarHBondContact O-CB 3.27Å; N291-Y378 PolarHBondContact O-N 2.87Å |
| 292 | D | 91 | Very high | 94.2 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.2 | 177 | 61.4 | -27.3 | 0 | 0 | 0 | 115.6 | R327 R328 W376 Q383 | D292-R327 IonicContact OD1-CZ 2.74Å; D292-R327 IonicContact OD1-NH1 3.86Å; D292-R327 PolarHBondContact OD1-NH1 3.42Å; D292-R327 WeakPolarHBondContact OD2-CA 3.16Å; D292-R327 WeakPolarHBondContact OD2-CD 3.33Å; D292-R328 HydrophobicContact CB-CB 3.53Å; D292-R328 PolarHBondContact OD2-N 2.93Å; D292-W376 HydrophobicContact CB-CZ2 3.82Å; D292-W376 WeakPolarHBondContact OD1-CZ2 3.43Å; D292-Q383 PolarHBondContact O-NE2 3.45Å |
| 293 | V | 92.4 | Very high | 94.3 | Very high | 33 Ų | 33 | 25.3 Ų | 25.3 | 20% | 0.2 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 14.1 | -178.1 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | N291 L325 A326 R327 | N291-V293 PolarHBondContact O-N 2.91Å; N291-V293 VanDerWaalsContact OD1-C 3.24Å; N291-V293 WeakPolarHBondContact OD1-CA 3.49Å; N291-V293 WeakPolarHBondContact OD1-CG2 3.39Å; N291-V293 PolarHBondContact OD1-N 3.38Å; V293-L325 HydrophobicContact CB-CB 3.8Å; V293-L325 HydrophobicContact CG1-CB 3.78Å; V293-L325 WeakPolarHBondContact O-CD1 3.46Å; V293-A326 WeakPolarHBondContact CG1-O 3.27Å; V293-R327 HydrophobicContact CG1-CG 4.16Å |
| 294 | N | 91.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 25 Ų | 25 | 9% | 0.086 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 104.3 | 178.9 | 176.5 | 4.2 | 0 | 0 | 0 | 107.2 | E271 V289 N291 G296 | E271-N294 PolarHBondContact OE2-ND2 2.88Å; E271-N294 VanDerWaalsContact OE2-ND2 3.12Å; V289-N294 PolarHBondContact O-ND2 2.96Å; N291-N294 PolarHBondContact N-O 3.23Å; N291-N294 PolarHBondContact O-N 2.9Å; N291-N294 VanDerWaalsContact O-O 3.09Å; N291-N294 WeakPolarHBondContact OD1-CB 3.5Å; N291-N294 PolarHBondContact OD1-N 2.54Å; N294-G296 PolarHBondContact O-N 3.23Å; N294-G296 PolarHBondContact OD1-N 2.9Å; N294-G296 VanDerWaalsContact OD1-N 3.13Å |
| 295 | A | 92.6 | Very high | 94 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 20% | 0.198 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | -11.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L320 Y378 | A295-L320 HydrophobicContact CB-CD1 3.91Å; A295-Y378 HydrophobicContact CB-CD1 3.66Å; A295-Y378 HydrophobicContact CB-CD2 4.05Å; A295-Y378 HydrophobicContact CB-CE1 3.77Å; A295-Y378 HydrophobicContact CB-CE2 4.12Å; A295-Y378 HydrophobicContact CB-CG 3.83Å |
| 296 | G | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 128.5 | 130.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V289 N294 I316 | V289-G296 CarbonylContact O-C 3.55Å; V289-G296 VanDerWaalsContact O-CA 3.31Å; V289-G296 WeakPolarHBondContact O-CA 3.21Å; N294-G296 PolarHBondContact O-N 3.23Å; N294-G296 PolarHBondContact OD1-N 2.9Å; N294-G296 VanDerWaalsContact OD1-N 3.13Å; G296-I316 WeakPolarHBondContact O-CB 3.43Å; G296-I316 WeakPolarHBondContact O-CG1 3.33Å; G296-I316 PolarHBondContact O-N 2.77Å |
| 297 | M | 95.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 16% | 0.163 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.6 | 172.6 | -67.3 | 177.9 | -176 | 0 | 0 | 108.5 | M288 V289 Y299 F312 A315 L321 | M288-M297 CarbonylContact C-O 3.49Å; M288-M297 WeakPolarHBondContact CA-O 3.36Å; V289-M297 PolarHBondContact N-O 3.14Å; V289-M297 PolarHBondContact O-N 2.91Å; M297-Y299 HydrophobicContact CB-CD2 4.25Å; M297-Y299 HydrophobicContact CB-CE2 3.51Å; M297-Y299 WeakPolarHBondContact O-CD2 3.26Å; M297-Y299 HydrophobicContact SD-CE2 4.43Å; M297-F312 HydrophobicContact CB-CE2 4.32Å; M297-F312 HydrophobicContact CG-CE2 4.4Å; M297-A315 HydrophobicContact CG-CB 4.04Å; M297-L321 HydrophobicContact CE-CD1 4.35Å; M297-L321 HydrophobicContact CE-CD2 3.32Å; M297-L321 HydrophobicContact CE-CG 4.47Å |
| 298 | L | 95.5 | Very high | 93.6 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 137.1 | 176.7 | -80.1 | 83.7 | 0 | 0 | 0 | 110.9 | L286 I287 M288 L313 Y314 I316 | L286-L298 HydrophobicContact CD1-CD2 4.12Å; L286-L298 HydrophobicContact CD2-CD2 4.23Å; L286-L298 HydrophobicContact CG-CD2 4.32Å; I287-L298 CarbonylContact O-C 3.58Å; I287-L298 WeakPolarHBondContact O-CA 3.24Å; M288-L298 HydrophobicContact CE-CD1 4.01Å; L298-L313 HydrophobicContact CB-CB 4.21Å; L298-L313 HydrophobicContact CB-CD1 4.4Å; L298-L313 WeakPolarHBondContact O-CA 3.45Å; L298-L313 WeakPolarHBondContact O-CB 3.29Å; L298-L313 PolarHBondContact O-N 3.17Å; L298-Y314 HydrophobicContact CB-CD1 4.25Å; L298-Y314 HydrophobicContact CB-CE1 3.96Å; L298-Y314 HydrophobicContact CD1-CE1 4.07Å; L298-Y314 HydrophobicContact CD1-CE2 3.84Å; L298-Y314 WeakPolarHBondContact CD1-OH 3.16Å; L298-Y314 HydrophobicContact CD2-CE1 3.89Å; L298-Y314 HydrophobicContact CG-CE1 4.18Å; L298-Y314 PolarHBondContact N-O 3.15Å; L298-I316 HydrophobicContact CD1-CD1 4.09Å; L298-I316 HydrophobicContact CD1-CG1 4.1Å |
| 299 | Y | 96 | Very high | 93.6 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 17% | 0.173 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.1 | 175.7 | -65.5 | -95.9 | 0 | 0 | 0 | 110.4 | F268 I287 V289 M297 V310 I311 F312 | F268-Y299 HydrophobicContact CE1-CD1 4.45Å; F268-Y299 HydrophobicContact CE1-CD2 4.19Å; F268-Y299 HydrophobicContact CE1-CE1 4.38Å; F268-Y299 HydrophobicContact CE1-CE2 4.12Å; F268-Y299 HydrophobicContact CE1-CG 4.35Å; F268-Y299 HydrophobicContact CZ-CD1 4.47Å; F268-Y299 HydrophobicContact CZ-CD2 4.08Å; F268-Y299 HydrophobicContact CZ-CE2 4.47Å; F268-Y299 HydrophobicContact CZ-CG 4.08Å; I287-Y299 PolarHBondContact N-O 3.44Å; I287-Y299 PolarHBondContact O-N 2.89Å; V289-Y299 HydrophobicContact CB-CD2 4.15Å; V289-Y299 HydrophobicContact CB-CE2 3.89Å; V289-Y299 HydrophobicContact CG2-CD2 3.5Å; V289-Y299 HydrophobicContact CG2-CE2 3.6Å; M297-Y299 HydrophobicContact CB-CD2 4.25Å; M297-Y299 HydrophobicContact CB-CE2 3.51Å; M297-Y299 WeakPolarHBondContact O-CD2 3.26Å; M297-Y299 HydrophobicContact SD-CE2 4.43Å; Y299-V310 HydrophobicContact CD1-CG1 3.5Å; Y299-V310 VanDerWaalsContact CD1-CG1 3.5Å; Y299-V310 HydrophobicContact CE1-CG1 4.4Å; Y299-V310 HydrophobicContact CG-CG1 3.82Å; Y299-I311 CarbonylContact C-O 3.39Å; Y299-I311 VanDerWaalsContact CA-O 3.22Å; Y299-I311 WeakPolarHBondContact CA-O 3.38Å; Y299-F312 VanDerWaalsContact CD1-CA 3.44Å; Y299-F312 HydrophobicContact CD1-CB 3.94Å; Y299-F312 HydrophobicContact CD1-CD2 4.33Å; Y299-F312 HydrophobicContact CE1-CB 3.68Å; Y299-F312 AromaticContact CE1-CD2 3.76Å; Y299-F312 HydrophobicContact CE1-CD2 3.76Å; Y299-F312 HydrophobicContact CE1-CG 4.22Å; Y299-F312 HydrophobicContact CE2-CD2 4.38Å; Y299-F312 AromaticContact CZ-CD2 3.77Å |
| 300 | L | 95.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 113.9 | 166 | 179.4 | 64.3 | 0 | 0 | 0 | 108.5 | L15 L302 I311 L313 | L15-L300 HydrophobicContact CB-CD2 4.04Å; L15-L300 HydrophobicContact CD1-CD2 4.1Å; L300-L302 HydrophobicContact CD1-CD2 4.12Å; L300-L302 HydrophobicContact CD2-CD1 4.4Å; L300-L302 HydrophobicContact CD2-CD2 3.89Å; L300-L302 HydrophobicContact CD2-CG 4.27Å; L300-L302 HydrophobicContact CG-CD2 3.79Å; L300-L302 HydrophobicContact CG-CG 4.05Å; L300-I311 HydrophobicContact CB-CB 4.41Å; L300-I311 PolarHBondContact N-O 2.94Å; L300-I311 PolarHBondContact O-N 3.25Å; L300-L313 HydrophobicContact CB-CD1 4.25Å; L300-L313 HydrophobicContact CB-CD2 4.07Å; L300-L313 HydrophobicContact CB-CG 4.32Å |
| 301 | Y | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135.8 | 168.2 | 168.3 | -103 | 0 | 0 | 0 | 109.8 | D260 Y263 L264 R284 W285 N303 K308 M309 V310 | D260-Y301 HydrophobicContact CB-CE1 3.97Å; D260-Y301 WeakPolarHBondContact CB-OH 3.43Å; D260-Y301 VanDerWaalsContact CG-OH 3.22Å; D260-Y301 PolarHBondContact OD1-OH 3.29Å; Y263-Y301 HydrophobicContact CD1-CD2 4.19Å; Y263-Y301 AromaticContact CD1-CE2 3.58Å; Y263-Y301 HydrophobicContact CD1-CE2 3.58Å; Y263-Y301 HydrophobicContact CE1-CD2 4.1Å; Y263-Y301 AromaticContact CE1-CE2 3.74Å; Y263-Y301 HydrophobicContact CE1-CE2 3.74Å; L264-Y301 HydrophobicContact CD1-CG 4.48Å; L264-Y301 HydrophobicContact CD2-CD2 3.63Å; L264-Y301 HydrophobicContact CD2-CE2 4.29Å; L264-Y301 HydrophobicContact CD2-CG 4.01Å; L264-Y301 HydrophobicContact CG-CD2 4.35Å; R284-Y301 CarbonylContact C-O 3.57Å; R284-Y301 VanDerWaalsContact CA-O 3.28Å; R284-Y301 WeakPolarHBondContact CA-O 3.28Å; W285-Y301 HydrophobicContact CB-CD1 4.01Å; W285-Y301 AromaticContact CD1-CD1 3.92Å; W285-Y301 AromaticContact CD2-CD1 3.73Å; W285-Y301 HydrophobicContact CD2-CD1 3.73Å; W285-Y301 HydrophobicContact CD2-CE1 4.13Å; W285-Y301 HydrophobicContact CE3-CD1 4.28Å; W285-Y301 AromaticContact CG-CD1 3.62Å; W285-Y301 HydrophobicContact CG-CD1 3.62Å; W285-Y301 HydrophobicContact CG-CE1 4.32Å; W285-Y301 HydrophobicContact CZ2-CE1 4.46Å; W285-Y301 PolarHBondContact N-O 3.35Å; W285-Y301 PolarHBondContact O-N 3.19Å; Y301-N303 HydrophobicContact CE1-CB 4.16Å; Y301-K308 HydrophobicContact CE2-CB 4.09Å; Y301-K308 HydrophobicContact CE2-CG 4.36Å; Y301-K308 WeakPolarHBondContact OH-CG 3.38Å; Y301-M309 WeakPolarHBondContact CA-O 3.38Å; Y301-M309 WeakPolarHBondContact CD2-O 3.3Å; Y301-V310 HydrophobicContact CD2-CG2 4.21Å |
| 302 | L | 95.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.3 | 176 | -55.2 | 173.7 | 0 | 0 | 0 | 110.4 | F18 N283 R284 L300 K308 M309 I311 | F18-L302 HydrophobicContact CD2-CB 3.88Å; F18-L302 HydrophobicContact CD2-CD1 4.09Å; F18-L302 HydrophobicContact CE2-CB 3.22Å; F18-L302 HydrophobicContact CE2-CD1 4.28Å; F18-L302 HydrophobicContact CE2-CG 4.35Å; F18-L302 HydrophobicContact CZ-CB 3.64Å; F18-L302 WeakPolarHBondContact CZ-O 3.36Å; N283-L302 CarbonylContact O-C 3.48Å; N283-L302 WeakPolarHBondContact O-CA 3.39Å; R284-L302 HydrophobicContact CB-CD2 4.04Å; R284-L302 HydrophobicContact CG-CD2 3.61Å; L300-L302 HydrophobicContact CD1-CD2 4.12Å; L300-L302 HydrophobicContact CD2-CD1 4.4Å; L300-L302 HydrophobicContact CD2-CD2 3.89Å; L300-L302 HydrophobicContact CD2-CG 4.27Å; L300-L302 HydrophobicContact CG-CD2 3.79Å; L300-L302 HydrophobicContact CG-CG 4.05Å; L302-K308 WeakPolarHBondContact O-CA 3.3Å; L302-M309 HydrophobicContact CB-CG 3.86Å; L302-M309 HydrophobicContact CD1-CG 4.18Å; L302-M309 HydrophobicContact CD1-SD 3.92Å; L302-M309 HydrophobicContact CG-CG 4.38Å; L302-M309 PolarHBondContact N-O 3Å; L302-M309 PolarHBondContact O-N 2.89Å; L302-I311 HydrophobicContact CD1-CD1 3.77Å |
| 303 | N | 95 | Very high | 93.8 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.1 | 168.1 | -173 | -16.5 | 0 | 0 | 0 | 109.1 | D260 N283 Y301 G306 R307 | D260-N303 PolarHBondContact OD1-ND2 3.01Å; N283-N303 HydrophobicContact CB-CB 4.33Å; N283-N303 WeakPolarHBondContact CB-O 3.34Å; N283-N303 PolarHBondContact O-N 2.82Å; Y301-N303 HydrophobicContact CE1-CB 4.16Å; N303-G306 WeakPolarHBondContact OD1-CA 3.25Å; N303-G306 PolarHBondContact OD1-N 2.81Å; N303-G306 VanDerWaalsContact OD1-N 3.15Å; N303-R307 CarbonylContact C-O 3.52Å; N303-R307 WeakPolarHBondContact CA-O 3.17Å |
| 304 | S | 92.5 | Very high | 93.7 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 109.8 | 172 | -168.2 | 0 | 0 | 0 | 0 | 109.2 | F18 G306 R307 | F18-S304 VanDerWaalsContact CE2-CB 3.43Å; S304-G306 PolarHBondContact O-N 2.93Å; S304-R307 PolarHBondContact N-O 2.82Å; S304-R307 WeakPolarHBondContact O-CB 3.17Å; S304-R307 PolarHBondContact O-N 2.89Å |
| 305 | E | 89.3 | Confident | 93.9 | Very high | 191 Ų | 191 | 50.4 Ų | 50.4 | 89% | 0.893 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 41.6 | 179.7 | -57.9 | -178.1 | 169.8 | 0 | 0 | 112.8 | R307 | E305-R307 VanDerWaalsContact C-N 3.3Å; E305-R307 PolarHBondContact O-N 3.39Å |
| 306 | G | 89.6 | Confident | 93.8 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -8.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N303 S304 K308 | N303-G306 WeakPolarHBondContact OD1-CA 3.25Å; N303-G306 PolarHBondContact OD1-N 2.81Å; N303-G306 VanDerWaalsContact OD1-N 3.15Å; S304-G306 PolarHBondContact O-N 2.93Å; G306-K308 PolarHBondContact O-N 3.46Å |
| 307 | R | 93.8 | Very high | 93.6 | Very high | 190 Ų | 190 | 56.7 Ų | 56.7 | 72% | 0.717 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 118.2 | 168.3 | -57.2 | -174.6 | -163.4 | -173.9 | 5.9 | 108.4 | F18 N303 S304 E305 | F18-R307 HydrophobicContact CE1-CB 4.22Å; F18-R307 WeakPolarHBondContact CZ-O 3.37Å; N303-R307 CarbonylContact C-O 3.52Å; N303-R307 WeakPolarHBondContact CA-O 3.17Å; S304-R307 PolarHBondContact N-O 2.82Å; S304-R307 WeakPolarHBondContact O-CB 3.17Å; S304-R307 PolarHBondContact O-N 2.89Å; E305-R307 VanDerWaalsContact C-N 3.3Å; E305-R307 PolarHBondContact O-N 3.39Å |
| 308 | K | 95.4 | Very high | 93.5 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 27% | 0.265 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.3 | -179 | -61.5 | -179.8 | -176.3 | 177.8 | 0 | 109.7 | D259 D260 Y263 Y301 L302 G306 | D259-K308 VanDerWaalsContact C-NZ 3.27Å; D259-K308 PolarHBondContact O-NZ 3.04Å; D260-K308 WeakPolarHBondContact OD1-CE 3.49Å; D260-K308 IonicContact OD1-NZ 3.4Å; Y263-K308 HydrophobicContact CD1-CB 4.09Å; Y263-K308 HydrophobicContact CD1-CD 4.05Å; Y263-K308 HydrophobicContact CD2-CB 4.04Å; Y263-K308 HydrophobicContact CD2-CD 3.69Å; Y263-K308 HydrophobicContact CE1-CB 3.86Å; Y263-K308 HydrophobicContact CE2-CB 3.78Å; Y263-K308 HydrophobicContact CE2-CD 4.32Å; Y263-K308 HydrophobicContact CG-CB 4.19Å; Y263-K308 HydrophobicContact CG-CD 3.53Å; Y263-K308 HydrophobicContact CG-CG 4.47Å; Y301-K308 HydrophobicContact CE2-CB 4.09Å; Y301-K308 HydrophobicContact CE2-CG 4.36Å; Y301-K308 WeakPolarHBondContact OH-CG 3.38Å; L302-K308 WeakPolarHBondContact O-CA 3.3Å; G306-K308 PolarHBondContact O-N 3.46Å |
| 309 | M | 94 | Very high | 93.4 | Very high | 58 Ų | 58 | 61.5 Ų | 61.5 | 29% | 0.286 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157.2 | 171.4 | 69.3 | 172.4 | 27.4 | 0 | 0 | 111.7 | F18 Y301 L302 I311 | F18-M309 HydrophobicContact CD1-CE 3.45Å; F18-M309 VanDerWaalsContact CD1-CE 3.45Å; F18-M309 HydrophobicContact CD1-CG 3.97Å; F18-M309 HydrophobicContact CD1-SD 3.48Å; F18-M309 WeakPolarHBondContact CD1-SD 3.36Å; F18-M309 HydrophobicContact CE1-CB 3.98Å; F18-M309 HydrophobicContact CE1-CE 3.64Å; F18-M309 HydrophobicContact CE1-CG 3.38Å; F18-M309 HydrophobicContact CE1-SD 3.58Å; F18-M309 VanDerWaalsContact CE1-SD 3.58Å; F18-M309 HydrophobicContact CE2-CG 4.39Å; F18-M309 HydrophobicContact CG-CE 4.42Å; F18-M309 HydrophobicContact CG-SD 4.02Å; F18-M309 HydrophobicContact CZ-CB 4.38Å; F18-M309 HydrophobicContact CZ-CG 3.61Å; F18-M309 HydrophobicContact CZ-SD 4.19Å; Y301-M309 WeakPolarHBondContact CA-O 3.38Å; Y301-M309 WeakPolarHBondContact CD2-O 3.3Å; L302-M309 HydrophobicContact CB-CG 3.86Å; L302-M309 HydrophobicContact CD1-CG 4.18Å; L302-M309 HydrophobicContact CD1-SD 3.92Å; L302-M309 HydrophobicContact CG-CG 4.38Å; L302-M309 PolarHBondContact N-O 3Å; L302-M309 PolarHBondContact O-N 2.89Å; M309-I311 HydrophobicContact CG-CG1 4.43Å; M309-I311 HydrophobicContact SD-CD1 3.85Å; M309-I311 HydrophobicContact SD-CG1 4.05Å |
| 310 | V | 94.8 | Very high | 93.2 | Very high | 38 Ų | 38 | 61 Ų | 61 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.4 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 108 | Y263 L264 T267 F268 Y299 Y301 | Y263-V310 HydrophobicContact CE1-CG2 3.82Å; L264-V310 HydrophobicContact CD2-CG2 3.92Å; T267-V310 HydrophobicContact CG2-CG2 4.11Å; F268-V310 HydrophobicContact CE1-CG1 4.27Å; F268-V310 HydrophobicContact CZ-CG1 3.71Å; Y299-V310 HydrophobicContact CD1-CG1 3.5Å; Y299-V310 VanDerWaalsContact CD1-CG1 3.5Å; Y299-V310 HydrophobicContact CE1-CG1 4.4Å; Y299-V310 HydrophobicContact CG-CG1 3.82Å; Y301-V310 HydrophobicContact CD2-CG2 4.21Å |
| 311 | I | 93.4 | Very high | 93 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.6 | -179.6 | -54.5 | -178.1 | 0 | 0 | 0 | 108.5 | P16 Y299 L300 L302 M309 L313 | P16-I311 HydrophobicContact CB-CD1 3.79Å; P16-I311 HydrophobicContact CB-CG2 4.2Å; P16-I311 HydrophobicContact CG-CG2 4.15Å; Y299-I311 CarbonylContact C-O 3.39Å; Y299-I311 VanDerWaalsContact CA-O 3.22Å; Y299-I311 WeakPolarHBondContact CA-O 3.38Å; L300-I311 HydrophobicContact CB-CB 4.41Å; L300-I311 PolarHBondContact N-O 2.94Å; L300-I311 PolarHBondContact O-N 3.25Å; L302-I311 HydrophobicContact CD1-CD1 3.77Å; M309-I311 HydrophobicContact CG-CG1 4.43Å; M309-I311 HydrophobicContact SD-CD1 3.85Å; M309-I311 HydrophobicContact SD-CG1 4.05Å; I311-L313 PolarHBondContact O-N 3.08Å |
| 312 | F | 93.1 | Very high | 92.9 | Very high | 96 Ų | 96 | 71.6 Ų | 71.6 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 130.4 | 173 | 173.6 | -104 | 0 | 0 | 0 | 110.9 | Y23 M297 Y299 Y314 A315 | Y23-F312 PolarHBondContact OH-O 2.83Å; M297-F312 HydrophobicContact CB-CE2 4.32Å; M297-F312 HydrophobicContact CG-CE2 4.4Å; Y299-F312 VanDerWaalsContact CD1-CA 3.44Å; Y299-F312 HydrophobicContact CD1-CB 3.94Å; Y299-F312 HydrophobicContact CD1-CD2 4.33Å; Y299-F312 HydrophobicContact CE1-CB 3.68Å; Y299-F312 AromaticContact CE1-CD2 3.76Å; Y299-F312 HydrophobicContact CE1-CD2 3.76Å; Y299-F312 HydrophobicContact CE1-CG 4.22Å; Y299-F312 HydrophobicContact CE2-CD2 4.38Å; Y299-F312 AromaticContact CZ-CD2 3.77Å; F312-Y314 VanDerWaalsContact CE2-C 3.45Å; F312-Y314 VanDerWaalsContact CZ-CA 3.43Å; F312-A315 HydrophobicContact CE2-CB 4.41Å; F312-A315 HydrophobicContact CZ-CB 4.2Å |
| 313 | L | 92.2 | Very high | 92.6 | Very high | 16 Ų | 16 | 77 Ų | 77 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -63.1 | 178 | -57.7 | -175.3 | 0 | 0 | 0 | 111.9 | L15 Y23 L286 L298 L300 I311 | L15-L313 HydrophobicContact CD1-CD1 4.29Å; L15-L313 HydrophobicContact CD2-CD1 4.49Å; L15-L313 HydrophobicContact CD2-CD2 4Å; Y23-L313 HydrophobicContact CE1-CD2 4.25Å; Y23-L313 WeakPolarHBondContact OH-CA 3.21Å; L286-L313 HydrophobicContact CD1-CD1 3.66Å; L298-L313 HydrophobicContact CB-CB 4.21Å; L298-L313 HydrophobicContact CB-CD1 4.4Å; L298-L313 WeakPolarHBondContact O-CA 3.45Å; L298-L313 WeakPolarHBondContact O-CB 3.29Å; L298-L313 PolarHBondContact O-N 3.17Å; L300-L313 HydrophobicContact CB-CD1 4.25Å; L300-L313 HydrophobicContact CB-CD2 4.07Å; L300-L313 HydrophobicContact CB-CG 4.32Å; I311-L313 PolarHBondContact O-N 3.08Å |
| 314 | Y | 91.8 | Very high | 92.4 | Very high | 117 Ų | 117 | 85.2 Ų | 85.2 | 46% | 0.459 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 162.4 | 177 | 66 | -84 | 0 | 0 | 0 | 111 | L298 F312 I316 | L298-Y314 HydrophobicContact CB-CD1 4.25Å; L298-Y314 HydrophobicContact CB-CE1 3.96Å; L298-Y314 HydrophobicContact CD1-CE1 4.07Å; L298-Y314 HydrophobicContact CD1-CE2 3.84Å; L298-Y314 WeakPolarHBondContact CD1-OH 3.16Å; L298-Y314 HydrophobicContact CD2-CE1 3.89Å; L298-Y314 HydrophobicContact CG-CE1 4.18Å; L298-Y314 PolarHBondContact N-O 3.15Å; F312-Y314 VanDerWaalsContact CE2-C 3.45Å; F312-Y314 VanDerWaalsContact CZ-CA 3.43Å; Y314-I316 HydrophobicContact CE2-CG1 4.09Å |
| 315 | A | 94.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 84.6 Ų | 84.6 | 12% | 0.116 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | M297 F312 N317 A318 L321 | M297-A315 HydrophobicContact CG-CB 4.04Å; F312-A315 HydrophobicContact CE2-CB 4.41Å; F312-A315 HydrophobicContact CZ-CB 4.2Å; A315-N317 PolarHBondContact O-N 2.79Å; A315-A318 HydrophobicContact CB-CB 4.24Å; A315-L321 HydrophobicContact CB-CD1 3.83Å; A315-L321 HydrophobicContact CB-CG 4.48Å |
| 316 | I | 92.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 75.6 Ų | 75.6 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 125.9 | 169.9 | -60 | 178 | 0 | 0 | 0 | 107.1 | M288 G296 L298 Y314 | M288-I316 HydrophobicContact CE-CD1 4.03Å; M288-I316 HydrophobicContact SD-CD1 4.4Å; G296-I316 WeakPolarHBondContact O-CB 3.43Å; G296-I316 WeakPolarHBondContact O-CG1 3.33Å; G296-I316 PolarHBondContact O-N 2.77Å; L298-I316 HydrophobicContact CD1-CD1 4.09Å; L298-I316 HydrophobicContact CD1-CG1 4.1Å; Y314-I316 HydrophobicContact CE2-CG1 4.09Å |
| 317 | N | 89.9 | Confident | 92.9 | Very high | 90 Ų | 90 | 79.3 Ų | 79.3 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 62.4 | -176.1 | -165.8 | -6.3 | 0 | 0 | 0 | 112.7 | A315 V319 L320 | A315-N317 PolarHBondContact O-N 2.79Å; N317-V319 PolarHBondContact O-N 3.24Å; N317-L320 HydrophobicContact CB-CD1 3.92Å; N317-L320 HydrophobicContact CB-CG 4.18Å; N317-L320 WeakPolarHBondContact O-CB 3.37Å; N317-L320 PolarHBondContact O-N 3.38Å |
| 318 | A | 92.5 | Very high | 92.8 | Very high | 55 Ų | 55 | 70.9 Ų | 70.9 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -55.2 | -19.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A315 L320 L321 | A315-A318 HydrophobicContact CB-CB 4.24Å; A318-L320 PolarHBondContact O-N 2.85Å; A318-L321 WeakPolarHBondContact O-CB 3.47Å; A318-L321 WeakPolarHBondContact O-CG 3.33Å; A318-L321 PolarHBondContact O-N 3.26Å |
| 319 | V | 92.9 | Very high | 92.6 | Very high | 91 Ų | 91 | 73.6 Ų | 73.6 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -57.7 | -36.5 | 173.6 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | N317 L321 N322 H323 | N317-V319 PolarHBondContact O-N 3.24Å; V319-L321 PolarHBondContact O-N 3.42Å; V319-L321 VanDerWaalsContact O-N 3.14Å; V319-N322 PolarHBondContact O-N 3.23Å; V319-N322 VanDerWaalsContact O-N 3.1Å; V319-H323 PolarHBondContact O-CD2 2.93Å; V319-H323 VanDerWaalsContact O-CD2 3.25Å |
| 320 | L | 92.7 | Very high | 92.6 | Very high | 34 Ų | 34 | 72.3 Ų | 72.3 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -61.7 | -22.5 | -179.7 | -63.9 | 177.7 | 0 | 0 | 0 | 113.7 | A295 N317 A318 N322 H323 Y378 | A295-L320 HydrophobicContact CB-CD1 3.91Å; N317-L320 HydrophobicContact CB-CD1 3.92Å; N317-L320 HydrophobicContact CB-CG 4.18Å; N317-L320 WeakPolarHBondContact O-CB 3.37Å; N317-L320 PolarHBondContact O-N 3.38Å; A318-L320 PolarHBondContact O-N 2.85Å; L320-N322 PolarHBondContact O-N 3.15Å; L320-H323 PolarHBondContact O-N 2.91Å; L320-Y378 HydrophobicContact CD1-CE2 3.93Å; L320-Y378 VanDerWaalsContact CD1-OH 3.27Å; L320-Y378 WeakPolarHBondContact CD1-OH 3.27Å |
| 321 | L | 91.1 | Very high | 92.6 | Very high | 100 Ų | 100 | 72 Ų | 72 | 52% | 0.524 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -64.5 | -21 | 177.2 | -57.8 | -180 | 0 | 0 | 0 | 112.8 | M297 A315 A318 V319 H323 | M297-L321 HydrophobicContact CE-CD1 4.35Å; M297-L321 HydrophobicContact CE-CD2 3.32Å; M297-L321 HydrophobicContact CE-CG 4.47Å; A315-L321 HydrophobicContact CB-CD1 3.83Å; A315-L321 HydrophobicContact CB-CG 4.48Å; A318-L321 WeakPolarHBondContact O-CB 3.47Å; A318-L321 WeakPolarHBondContact O-CG 3.33Å; A318-L321 PolarHBondContact O-N 3.26Å; V319-L321 PolarHBondContact O-N 3.42Å; V319-L321 VanDerWaalsContact O-N 3.14Å; L321-H323 VanDerWaalsContact C-N 3.29Å |
| 322 | N | 93.6 | Very high | 92.8 | Very high | 140 Ų | 140 | 75.7 Ų | 75.7 | 75% | 0.749 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -87.2 | 0.7 | 175.8 | -59.9 | -46.7 | 0 | 0 | 0 | 112.9 | V319 L320 | V319-N322 PolarHBondContact O-N 3.23Å; V319-N322 VanDerWaalsContact O-N 3.1Å; L320-N322 PolarHBondContact O-N 3.15Å |
| 323 | H | 90.8 | Very high | 93.1 | Very high | 116 Ų | 116 | 71.1 Ų | 71.1 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -119.3 | 143.6 | -175.9 | -63.4 | -78.5 | 0 | 0 | 0 | 111.6 | V319 L320 L321 L325 | V319-H323 PolarHBondContact O-CD2 2.93Å; V319-H323 VanDerWaalsContact O-CD2 3.25Å; L320-H323 PolarHBondContact O-N 2.91Å; L321-H323 VanDerWaalsContact C-N 3.29Å; H323-L325 PolarHBondContact O-N 2.92Å |
| 324 | R | 90.6 | Very high | 93.3 | Very high | 201 Ų | 201 | 73.7 Ų | 73.7 | 76% | 0.758 | 37% | 0.365 | S | S | * | . | trans | -83.2 | 110.3 | 170.6 | -177.9 | 178.4 | 174 | -177.1 | -4.3 | 109.3 | A349 | R324-A349 HydrophobicContact CG-CB 4.25Å; R324-A349 PolarHBondContact NH2-O 3.45Å; R324-A349 VanDerWaalsContact NH2-O 3.12Å | ||
| 325 | L | 93.9 | Very high | 93.6 | Very high | 32 Ų | 32 | 68.5 Ų | 68.5 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 160.1 | 176.5 | -63.4 | -176.7 | 0 | 0 | 0 | 112.5 | V293 H323 Y378 Q383 | V293-L325 HydrophobicContact CB-CB 3.8Å; V293-L325 HydrophobicContact CG1-CB 3.78Å; V293-L325 WeakPolarHBondContact O-CD1 3.46Å; H323-L325 PolarHBondContact O-N 2.92Å; L325-Y378 HydrophobicContact CD1-CD2 4.06Å; L325-Y378 HydrophobicContact CD1-CE2 3.73Å; L325-Q383 HydrophobicContact CD2-CG 4.45Å |
| 326 | A | 94.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 74.6 Ų | 74.6 | 2% | 0.017 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 131.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V293 T346 M347 Q383 A386 | V293-A326 WeakPolarHBondContact CG1-O 3.27Å; A326-T346 HydrophobicContact CB-CG2 3.65Å; A326-M347 WeakPolarHBondContact CB-O 3.44Å; A326-Q383 PolarHBondContact O-NE2 3.38Å; A326-A386 HydrophobicContact CB-CB 3.5Å |
| 327 | R | 92.3 | Very high | 94 | Very high | 135 Ų | 135 | 75.1 Ų | 75.1 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 145.9 | 178.4 | -71.6 | -73.8 | -167.6 | 179.9 | 1 | 111.3 | N291 D292 V293 M347 | N291-R327 PolarHBondContact ND2-NH1 2.9Å; D292-R327 IonicContact OD1-CZ 2.74Å; D292-R327 IonicContact OD1-NH1 3.86Å; D292-R327 PolarHBondContact OD1-NH1 3.42Å; D292-R327 WeakPolarHBondContact OD2-CA 3.16Å; D292-R327 WeakPolarHBondContact OD2-CD 3.33Å; V293-R327 HydrophobicContact CG1-CG 4.16Å; R327-M347 PolarHBondContact O-N 3.42Å |
| 328 | R | 92.5 | Very high | 94.4 | Very high | 12 Ų | 12 | 73.5 Ų | 73.5 | 5% | 0.045 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.5 | 178.8 | -171.9 | -177.6 | 176.6 | 103.1 | -3.9 | 110 | D292 Y344 L345 Y375 W376 D382 Q394 | D292-R328 HydrophobicContact CB-CB 3.53Å; D292-R328 PolarHBondContact OD2-N 2.93Å; R328-Y344 HydrophobicContact CG-CD1 4.42Å; R328-Y344 HydrophobicContact CG-CG 4.45Å; R328-L345 CarbonylContact C-O 3.49Å; R328-L345 VanDerWaalsContact CA-O 3.27Å; R328-L345 WeakPolarHBondContact CA-O 3.28Å; R328-Y375 PolarHBondContact NE-O 2.83Å; R328-Y375 PolarHBondContact NH2-O 2.75Å; R328-W376 PolarHBondContact O-NE1 3.48Å; R328-D382 IonicContact NH1-OD2 3.91Å; R328-D382 PolarHBondContact NH1-OD2 3.35Å; R328-Q394 VanDerWaalsContact CZ-OE1 3.28Å |
| 329 | R | 91.5 | Very high | 94.7 | Very high | 118 Ų | 118 | 73 Ų | 73 | 45% | 0.445 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.5 | 174.7 | -67.3 | 178.6 | 173.5 | 178.2 | -4.8 | 110.2 | Y344 L345 | R329-Y344 CarbonylContact O-C 3.59Å; R329-Y344 VanDerWaalsContact O-CA 3.28Å; R329-Y344 WeakPolarHBondContact O-CA 3.13Å; R329-L345 PolarHBondContact N-O 3.19Å; R329-L345 PolarHBondContact O-N 2.79Å |
| 330 | A | 94.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 72.2 Ų | 72.2 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 132.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | M246 C343 Y344 | M246-A330 HydrophobicContact CB-CB 4.09Å; M246-A330 HydrophobicContact CG-CB 4.26Å; M246-A330 HydrophobicContact SD-CB 4.34Å; A330-C343 WeakPolarHBondContact CA-O 3.45Å; A330-Y344 HydrophobicContact CB-CD1 3.79Å; A330-Y344 HydrophobicContact CB-CE1 3.68Å |
| 331 | V | 95.6 | Very high | 95.1 | Very high | 31 Ų | 31 | 70.6 Ų | 70.6 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 138.8 | -179.7 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | V333 C343 W429 | V331-V333 HydrophobicContact CG2-CG2 4.03Å; V331-C343 HydrophobicContact CG2-CB 3.85Å; V331-C343 PolarHBondContact N-O 2.55Å; V331-C343 PolarHBondContact O-N 3.48Å; V331-W429 HydrophobicContact CB-CH2 3.92Å; V331-W429 HydrophobicContact CB-CZ2 4.36Å; V331-W429 HydrophobicContact CG1-CH2 4Å; V331-W429 HydrophobicContact CG2-CH2 3.7Å; V331-W429 HydrophobicContact CG2-CZ2 4.43Å; V331-W429 HydrophobicContact CG2-CZ3 3.85Å |
| 332 | E | 97.2 | Very high | 95.4 | Very high | 92 Ų | 92 | 65.9 Ų | 65.9 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.2 | 167.5 | -79.7 | 171.2 | -166.1 | 0 | 0 | 109.4 | Y245 M246 I340 | Y245-E332 VanDerWaalsContact CE1-OE1 3.29Å; Y245-E332 WeakPolarHBondContact CE1-OE1 3.48Å; Y245-E332 PolarHBondContact OH-OE1 3.37Å; M246-E332 HydrophobicContact CE-CG 3.67Å; M246-E332 WeakPolarHBondContact CE-OE1 3.34Å; E332-I340 HydrophobicContact CB-CG2 3.64Å; E332-I340 HydrophobicContact CG-CG2 3.69Å |
| 333 | V | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.3 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | V331 Q341 C343 W429 | V331-V333 HydrophobicContact CG2-CG2 4.03Å; V333-Q341 HydrophobicContact CB-CG 4.07Å; V333-Q341 PolarHBondContact N-O 3.39Å; V333-Q341 VanDerWaalsContact O-CG 3.24Å; V333-Q341 WeakPolarHBondContact O-CG 3.41Å; V333-Q341 PolarHBondContact O-N 2.86Å; V333-C343 HydrophobicContact CG2-CB 3.96Å; V333-C343 VanDerWaalsContact CG2-SG 3.6Å; V333-W429 HydrophobicContact CB-CD2 4.45Å; V333-W429 HydrophobicContact CB-CG 4.34Å; V333-W429 HydrophobicContact CG1-CB 3.5Å; V333-W429 VanDerWaalsContact CG1-CB 3.5Å; V333-W429 HydrophobicContact CG1-CD2 4.06Å; V333-W429 HydrophobicContact CG1-CG 3.5Å; V333-W429 HydrophobicContact CG2-CD2 3.66Å; V333-W429 HydrophobicContact CG2-CE3 3.75Å; V333-W429 HydrophobicContact CG2-CG 4.06Å; V333-W429 HydrophobicContact CG2-CZ2 4.47Å; V333-W429 HydrophobicContact CG2-CZ3 4.24Å |
| 334 | P | 97.8 | Very high | 95.9 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 134.1 | 172.8 | 29.5 | -32.8 | 0 | 0 | 0 | 110.7 | L339 I340 | P334-L339 CarbonylContact C-O 3.55Å; P334-L339 WeakPolarHBondContact CA-O 3.38Å; P334-I340 HydrophobicContact CB-CD1 3.85Å |
| 335 | T | 98.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | trans | -81.2 | 165.8 | 166.7 | 66.6 | 0 | 0 | 0 | 0 | 109.7 | D337 G338 L339 Q341 D422 | T335-D337 PolarHBondContact O-N 2.98Å; T335-D337 VanDerWaalsContact O-N 3.16Å; T335-D337 PolarHBondContact OG1-OD1 3.24Å; T335-G338 PolarHBondContact O-N 3.25Å; T335-L339 HydrophobicContact CG2-CB 4.17Å; T335-L339 WeakPolarHBondContact CG2-O 3.29Å; T335-L339 PolarHBondContact N-O 3.36Å; T335-L339 WeakPolarHBondContact OG1-CA 3.29Å; T335-L339 VanDerWaalsContact OG1-CB 3.28Å; T335-L339 WeakPolarHBondContact OG1-CB 3.26Å; T335-L339 PolarHBondContact OG1-N 3.28Å; T335-L339 PolarHBondContact OG1-O 3.32Å; T335-L339 VanDerWaalsContact OG1-O 3.07Å; T335-Q341 HydrophobicContact CG2-CG 4.15Å; T335-D422 HydrophobicContact CG2-CB 4.1Å; T335-D422 WeakPolarHBondContact CG2-OD1 3.2Å | ||
| 336 | R | 97.6 | Very high | 96.2 | Very high | 142 Ų | 142 | 42.8 Ų | 42.8 | 54% | 0.536 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.1 | -179.5 | 69.5 | -176.5 | 66.6 | 158.7 | 10.7 | 115 | D421 D425 | R336-D421 IonicContact CZ-OD1 3.66Å; R336-D421 IonicContact CZ-OD2 3.3Å; R336-D421 IonicContact NH1-OD1 3.72Å; R336-D421 PolarHBondContact NH1-OD1 2.77Å; R336-D421 IonicContact NH1-OD2 2.7Å; R336-D421 PolarHBondContact NH1-OD2 3.13Å; R336-D421 IonicContact NH2-OD1 3.33Å; R336-D421 PolarHBondContact NH2-OD1 2.98Å; R336-D425 WeakPolarHBondContact CB-OD2 3.46Å; R336-D425 WeakPolarHBondContact CG-OD2 3.28Å; R336-D425 IonicContact CZ-OD1 3.67Å; R336-D425 VanDerWaalsContact CZ-OD1 3.28Å; R336-D425 PolarHBondContact N-OD2 3.07Å; R336-D425 IonicContact NE-OD1 3.82Å; R336-D425 PolarHBondContact NE-OD1 2.81Å; R336-D425 IonicContact NE-OD2 3.54Å; R336-D425 PolarHBondContact NE-OD2 2.85Å; R336-D425 IonicContact NH2-OD1 3.43Å; R336-D425 PolarHBondContact NH2-OD1 2.66Å; R336-D425 IonicContact NH2-OD2 2.78Å |
| 337 | D | 97.6 | Very high | 96.1 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 42% | 0.417 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 8.7 | 175.1 | 67.9 | -18.4 | 0 | 0 | 0 | 113.1 | T335 R398 R418 | T335-D337 PolarHBondContact O-N 2.98Å; T335-D337 VanDerWaalsContact O-N 3.16Å; T335-D337 PolarHBondContact OG1-OD1 3.24Å; D337-R398 IonicContact OD1-CZ 3.18Å; D337-R398 IonicContact OD1-NH1 3.88Å; D337-R398 IonicContact OD1-NH2 2.99Å; D337-R398 PolarHBondContact OD1-NH2 3.06Å; D337-R398 IonicContact OD2-CZ 3.98Å; D337-R398 IonicContact OD2-NH1 3.53Å; D337-R398 PolarHBondContact OD2-NH1 3.09Å; D337-R398 IonicContact OD2-NH2 2.74Å; D337-R398 PolarHBondContact OD2-NH2 2.62Å; D337-R418 IonicContact OD2-NH1 2.66Å |
| 338 | G | 97.4 | Very high | 96.1 | Very high | 56 Ų | 56 | 37.4 Ų | 37.4 | 58% | 0.577 | 20% | 0.199 | S | C | * | . | S | Bend | trans | 86.6 | 3.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T335 | T335-G338 PolarHBondContact O-N 3.25Š|
| 339 | L | 98 | Very high | 95.7 | Very high | 45 Ų | 45 | 38 Ų | 38 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 139.9 | 168.8 | -172.5 | 76.3 | 0 | 0 | 0 | 109.3 | P334 T335 R398 F407 | P334-L339 CarbonylContact C-O 3.55Å; P334-L339 WeakPolarHBondContact CA-O 3.38Å; T335-L339 HydrophobicContact CG2-CB 4.17Å; T335-L339 WeakPolarHBondContact CG2-O 3.29Å; T335-L339 PolarHBondContact N-O 3.36Å; T335-L339 WeakPolarHBondContact OG1-CA 3.29Å; T335-L339 VanDerWaalsContact OG1-CB 3.28Å; T335-L339 WeakPolarHBondContact OG1-CB 3.26Å; T335-L339 PolarHBondContact OG1-N 3.28Å; T335-L339 PolarHBondContact OG1-O 3.32Å; T335-L339 VanDerWaalsContact OG1-O 3.07Å; L339-R398 HydrophobicContact CD2-CB 3.57Å; L339-F407 HydrophobicContact CD1-CD2 3.92Å; L339-F407 HydrophobicContact CD1-CE2 3.99Å; L339-F407 HydrophobicContact CD2-CD2 4.28Å; L339-F407 HydrophobicContact CD2-CE2 3.72Å; L339-F407 HydrophobicContact CD2-CZ 4.24Å; L339-F407 HydrophobicContact CG-CD2 4.34Å; L339-F407 HydrophobicContact CG-CE2 3.89Å |
| 340 | I | 97.9 | Very high | 95.1 | Very high | 73 Ų | 73 | 42.1 Ų | 42.1 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.1 | 173.3 | -54.9 | -55.2 | 0 | 0 | 0 | 108.7 | E332 P334 F407 | E332-I340 HydrophobicContact CB-CG2 3.64Å; E332-I340 HydrophobicContact CG-CG2 3.69Å; P334-I340 HydrophobicContact CB-CD1 3.85Å; I340-F407 WeakPolarHBondContact O-CE2 3.1Å |
| 341 | Q | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.2 | 171.4 | 54.6 | 178.9 | -28.7 | 0 | 0 | 110.4 | V333 T335 N396 D422 | V333-Q341 HydrophobicContact CB-CG 4.07Å; V333-Q341 PolarHBondContact N-O 3.39Å; V333-Q341 VanDerWaalsContact O-CG 3.24Å; V333-Q341 WeakPolarHBondContact O-CG 3.41Å; V333-Q341 PolarHBondContact O-N 2.86Å; T335-Q341 HydrophobicContact CG2-CG 4.15Å; Q341-N396 VanDerWaalsContact CB-O 3.26Å; Q341-N396 WeakPolarHBondContact CB-O 3.46Å; Q341-D422 PolarHBondContact NE2-O 2.73Å |
| 342 | L | 97.5 | Very high | 93 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 121 | 175.7 | 179.7 | 66.1 | 0 | 0 | 0 | 109.8 | Y245 M246 Y344 N396 F403 | Y245-L342 WeakPolarHBondContact O-CD2 3.19Å; M246-L342 HydrophobicContact CE-CD1 4.24Å; M246-L342 HydrophobicContact CG-CD1 3.76Å; M246-L342 HydrophobicContact CG-CD2 4.46Å; L342-Y344 HydrophobicContact CD2-CE2 4.43Å; L342-Y344 WeakPolarHBondContact CD2-OH 3.44Å; L342-Y344 HydrophobicContact CG-CE2 4.5Å; L342-N396 WeakPolarHBondContact O-CB 3.21Å; L342-N396 PolarHBondContact O-N 2.91Å; L342-N396 PolarHBondContact O-ND2 3.34Å; L342-F403 HydrophobicContact CB-CE1 3.96Å; L342-F403 HydrophobicContact CB-CZ 3.98Å; L342-F403 HydrophobicContact CD2-CE1 3.94Å; L342-F403 HydrophobicContact CD2-CZ 4.03Å |
| 343 | C | 97.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 158.2 | 179.5 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | A330 V331 V333 L393 Q394 C395 | A330-C343 WeakPolarHBondContact CA-O 3.45Å; V331-C343 HydrophobicContact CG2-CB 3.85Å; V331-C343 PolarHBondContact N-O 2.55Å; V331-C343 PolarHBondContact O-N 3.48Å; V333-C343 HydrophobicContact CG2-CB 3.96Å; V333-C343 VanDerWaalsContact CG2-SG 3.6Å; C343-L393 HydrophobicContact CB-CD1 4Å; C343-Q394 CarbonylContact C-O 3.51Å; C343-Q394 VanDerWaalsContact CA-O 3.29Å; C343-Q394 WeakPolarHBondContact CA-O 3.46Å; C343-C395 HydrophobicContact CB-CB 4.1Å; C343-C395 WeakPolarHBondContact CB-SG 3.31Å; C343-C395 WeakPolarHBondContact SG-CB 3.45Å; C343-C395 CovalentContact SG-SG 2.03Å; C343-C395 PolarHBondContact SG-SG 3.23Å |
| 344 | Y | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.3 | 173.3 | -58 | -75.8 | 0 | 0 | 0 | 110.9 | R328 R329 A330 L342 V374 W376 Q394 | R328-Y344 HydrophobicContact CG-CD1 4.42Å; R328-Y344 HydrophobicContact CG-CG 4.45Å; R329-Y344 CarbonylContact O-C 3.59Å; R329-Y344 VanDerWaalsContact O-CA 3.28Å; R329-Y344 WeakPolarHBondContact O-CA 3.13Å; A330-Y344 HydrophobicContact CB-CD1 3.79Å; A330-Y344 HydrophobicContact CB-CE1 3.68Å; L342-Y344 HydrophobicContact CD2-CE2 4.43Å; L342-Y344 WeakPolarHBondContact CD2-OH 3.44Å; L342-Y344 HydrophobicContact CG-CE2 4.5Å; Y344-V374 HydrophobicContact CD2-CB 4.35Å; Y344-V374 HydrophobicContact CD2-CG2 3.69Å; Y344-V374 HydrophobicContact CE2-CB 4.46Å; Y344-V374 HydrophobicContact CE2-CG2 3.9Å; Y344-V374 WeakPolarHBondContact CE2-O 3.21Å; Y344-W376 HydrophobicContact CD1-CB 4.07Å; Y344-W376 AromaticContact CD1-CD1 3.88Å; Y344-W376 HydrophobicContact CD1-CG 4.39Å; Y344-W376 HydrophobicContact CE1-CB 3.51Å; Y344-W376 HydrophobicContact CE1-CG 4.21Å; Y344-W376 PolarHBondContact OH-N 3.17Å; Y344-Q394 PolarHBondContact N-O 3.34Å; Y344-Q394 PolarHBondContact O-N 3.25Å |
| 345 | L | 95.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 108.9 | -173.5 | -160.8 | 83.9 | 0 | 0 | 0 | 110 | R328 R329 M347 V391 V392 L393 L435 | R328-L345 CarbonylContact C-O 3.49Å; R328-L345 VanDerWaalsContact CA-O 3.27Å; R328-L345 WeakPolarHBondContact CA-O 3.28Å; R329-L345 PolarHBondContact N-O 3.19Å; R329-L345 PolarHBondContact O-N 2.79Å; L345-M347 HydrophobicContact CD2-CG 4.31Å; L345-M347 HydrophobicContact CD2-SD 3.31Å; L345-M347 WeakPolarHBondContact CD2-SD 3.39Å; L345-M347 HydrophobicContact CG-SD 3.78Å; L345-V391 HydrophobicContact CD1-CG1 3.51Å; L345-V391 HydrophobicContact CD2-CG1 4.24Å; L345-V391 HydrophobicContact CG-CG1 3.71Å; L345-V392 CarbonylContact C-O 3.6Å; L345-V392 WeakPolarHBondContact CA-O 3.47Å; L345-L393 HydrophobicContact CD1-CB 4.12Å; L345-L393 HydrophobicContact CD1-CD1 3.65Å; L345-L393 HydrophobicContact CD1-CG 4.44Å; L345-L435 HydrophobicContact CD2-CB 4.24Å; L345-L435 HydrophobicContact CD2-CD1 3.79Å; L345-L435 HydrophobicContact CD2-CD2 4.37Å; L345-L435 HydrophobicContact CD2-CG 4.35Å |
| 346 | T | 96.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 115 | 175.5 | -53.1 | 0 | 0 | 0 | 0 | 108.7 | A326 D382 A386 V391 V392 | A326-T346 HydrophobicContact CB-CG2 3.65Å; T346-D382 HydrophobicContact CG2-CB 4.33Å; T346-D382 PolarHBondContact OG1-OD2 3.25Å; T346-A386 HydrophobicContact CG2-CB 3.84Å; T346-V391 WeakPolarHBondContact O-CA 3.39Å; T346-V392 PolarHBondContact N-O 3.17Å; T346-V392 PolarHBondContact O-N 2.84Å |
| 347 | M | 92.4 | Very high | 86.3 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | trans | -97.3 | 136.7 | -174.7 | -61.1 | -61.7 | -65.5 | 0 | 0 | 110.8 | A326 R327 L345 A349 Y351 V353 V391 | A326-M347 WeakPolarHBondContact CB-O 3.44Å; R327-M347 PolarHBondContact O-N 3.42Å; L345-M347 HydrophobicContact CD2-CG 4.31Å; L345-M347 HydrophobicContact CD2-SD 3.31Å; L345-M347 WeakPolarHBondContact CD2-SD 3.39Å; L345-M347 HydrophobicContact CG-SD 3.78Å; M347-A349 PolarHBondContact O-N 3.44Å; M347-Y351 HydrophobicContact CE-CD1 3.49Å; M347-Y351 VanDerWaalsContact CE-CD1 3.49Å; M347-Y351 HydrophobicContact CE-CE1 3.65Å; M347-V353 HydrophobicContact CE-CG2 4.48Å; M347-V391 HydrophobicContact CE-CG2 3.56Å; M347-V391 HydrophobicContact SD-CB 4.37Å; M347-V391 HydrophobicContact SD-CG1 3.84Å; M347-V391 HydrophobicContact SD-CG2 3.61Å | ||
| 348 | P | 91.3 | Very high | 85.5 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | trans | -50.5 | 130.2 | 175.2 | -25.4 | 31.5 | 0 | 0 | 0 | 111.5 | K350 Y351 A386 G389 Y390 V391 | P348-K350 PolarHBondContact O-N 3.25Å; P348-Y351 WeakPolarHBondContact O-CB 3.37Å; P348-Y351 PolarHBondContact O-N 2.88Å; P348-A386 WeakPolarHBondContact CB-O 3.43Å; P348-G389 VanDerWaalsContact CG-C 3.49Å; P348-G389 WeakPolarHBondContact CG-O 3.22Å; P348-Y390 WeakPolarHBondContact CD-O 3.4Å; P348-Y390 VanDerWaalsContact CG-O 3.29Å; P348-Y390 WeakPolarHBondContact CG-O 3.35Å; P348-V391 HydrophobicContact CG-CG2 4.41Å | ||
| 349 | A | 84.1 | Confident | 85.2 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 21% | 0.207 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R324 M347 | R324-A349 HydrophobicContact CG-CB 4.25Å; R324-A349 PolarHBondContact NH2-O 3.45Å; R324-A349 VanDerWaalsContact NH2-O 3.12Å; M347-A349 PolarHBondContact O-N 3.44Å |
| 350 | K | 79.4 | Confident | 84.9 | Confident | 204 Ų | 204 | 55.7 Ų | 55.7 | 89% | 0.887 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -13.9 | 177.3 | -64.8 | -179.8 | -179.1 | 173 | 0 | 113.6 | P348 | P348-K350 PolarHBondContact O-N 3.25Š|
| 351 | Y | 76.1 | Confident | 84.8 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | trans | -78.1 | 129 | -176.9 | -175.7 | -107.8 | 0 | 0 | 0 | 111.2 | M347 P348 V353 D355 Q358 L359 P360 | M347-Y351 HydrophobicContact CE-CD1 3.49Å; M347-Y351 VanDerWaalsContact CE-CD1 3.49Å; M347-Y351 HydrophobicContact CE-CE1 3.65Å; P348-Y351 WeakPolarHBondContact O-CB 3.37Å; P348-Y351 PolarHBondContact O-N 2.88Å; Y351-V353 HydrophobicContact CD1-CG2 4.43Å; Y351-D355 PolarHBondContact OH-O 3.06Å; Y351-Q358 WeakPolarHBondContact CE2-O 3.3Å; Y351-L359 WeakPolarHBondContact OH-CD2 3.45Å; Y351-P360 HydrophobicContact CD2-CG 4.35Å; Y351-P360 HydrophobicContact CE1-CG 4.39Å; Y351-P360 HydrophobicContact CE2-CG 4.21Å | ||
| 352 | K | 68.9 | Low | 84.7 | Confident | 159 Ų | 159 | 52.6 Ų | 52.6 | 69% | 0.691 | 27% | 0.27 | S | S | * | . | trans | -88.7 | 111.2 | 171.5 | -71.4 | -175.7 | -178.9 | 177.7 | 0 | 108.5 | N354 D355 | K352-N354 PolarHBondContact O-N 2.82Å; K352-D355 HydrophobicContact CB-CB 4.15Å; K352-D355 WeakPolarHBondContact O-CB 3.22Å; K352-D355 PolarHBondContact O-N 2.83Å; K352-D355 VanDerWaalsContact O-N 3.08Å | ||
| 353 | V | 67.3 | Low | 84.7 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.2 | 172.1 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | M347 Y351 | M347-V353 HydrophobicContact CE-CG2 4.48Å; Y351-V353 HydrophobicContact CD1-CG2 4.43Å |
| 354 | N | 67.4 | Low | 84.8 | Confident | 150 Ų | 150 | 52.7 Ų | 52.7 | 80% | 0.802 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 10.9 | -173.9 | -46.8 | -33.5 | 0 | 0 | 0 | 116 | K352 D356 | K352-N354 PolarHBondContact O-N 2.82Å; N354-D356 PolarHBondContact O-N 3.3Å |
| 355 | D | 72.4 | Confident | 84.9 | Confident | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | trans | -89.8 | 91.9 | 163.7 | -168.2 | -16.4 | 0 | 0 | 0 | 110 | Y351 K352 S357 | Y351-D355 PolarHBondContact OH-O 3.06Å; K352-D355 HydrophobicContact CB-CB 4.15Å; K352-D355 WeakPolarHBondContact O-CB 3.22Å; K352-D355 PolarHBondContact O-N 2.83Å; K352-D355 VanDerWaalsContact O-N 3.08Å; D355-S357 PolarHBondContact O-N 2.85Å; D355-S357 VanDerWaalsContact OD1-CB 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.17Å; D355-S357 PolarHBondContact OD1-N 2.82Å; D355-S357 VanDerWaalsContact OD1-N 3.16Å; D355-S357 PolarHBondContact OD1-OG 2.86Å | ||
| 356 | D | 67.6 | Low | 85 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 39% | 0.39 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4.4 | -177.9 | -83.4 | -18.8 | 0 | 0 | 0 | 114.3 | N354 Q358 R434 | N354-D356 PolarHBondContact O-N 3.3Å; D356-Q358 VanDerWaalsContact C-N 3.28Å; D356-Q358 PolarHBondContact O-N 2.91Å; D356-R434 VanDerWaalsContact CB-NH2 3.28Å; D356-R434 IonicContact OD1-CZ 2.94Å; D356-R434 IonicContact OD1-NE 3.64Å; D356-R434 PolarHBondContact OD1-NE 2.65Å; D356-R434 IonicContact OD1-NH1 2.69Å; D356-R434 IonicContact OD1-NH2 3.2Å; D356-R434 PolarHBondContact OD1-NH2 2.83Å; D356-R434 IonicContact OD2-CZ 2.79Å; D356-R434 IonicContact OD2-NE 3.86Å; D356-R434 IonicContact OD2-NH1 3.48Å; D356-R434 PolarHBondContact OD2-NH1 2.69Å; D356-R434 IonicContact OD2-NH2 3.34Å; D356-R434 PolarHBondContact OD2-NH2 2.82Å |
| 357 | S | 73.1 | Confident | 85.1 | Confident | 94 Ų | 94 | 54 Ų | 54 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -29.8 | -174.6 | 65.2 | 0 | 0 | 0 | 0 | 112.8 | D355 | D355-S357 PolarHBondContact O-N 2.85Å; D355-S357 VanDerWaalsContact OD1-CB 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.17Å; D355-S357 PolarHBondContact OD1-N 2.82Å; D355-S357 VanDerWaalsContact OD1-N 3.16Å; D355-S357 PolarHBondContact OD1-OG 2.86Å |
| 358 | Q | 81.3 | Confident | 85.3 | Confident | 157 Ų | 157 | 54.3 Ų | 54.3 | 73% | 0.734 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -151 | 98.6 | 172.6 | -69.9 | -167.6 | -5.2 | 0 | 0 | 111.8 | Y351 D356 | Y351-Q358 WeakPolarHBondContact CE2-O 3.3Å; D356-Q358 VanDerWaalsContact C-N 3.28Å; D356-Q358 PolarHBondContact O-N 2.91Å |
| 359 | L | 90.1 | Very high | 85.4 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 137.5 | 172.1 | -61.5 | -176.2 | 0 | 0 | 0 | 110.6 | Y351 R434 V436 D437 R440 | Y351-L359 WeakPolarHBondContact OH-CD2 3.45Å; L359-R434 HydrophobicContact CD1-CB 4.13Å; L359-R434 HydrophobicContact CD2-CB 4.25Å; L359-R434 WeakPolarHBondContact CD2-O 3.49Å; L359-V436 WeakPolarHBondContact CD1-O 3.38Å; L359-D437 HydrophobicContact CB-CB 4.04Å; L359-R440 PolarHBondContact O-NH2 2.82Å |
| 360 | P | 92.6 | Very high | 85.9 | Confident | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.071 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 157.2 | 180 | 30.8 | -35.3 | 0 | 0 | 0 | 111.1 | Y351 V391 L435 V436 D437 | Y351-P360 HydrophobicContact CD2-CG 4.35Å; Y351-P360 HydrophobicContact CE1-CG 4.39Å; Y351-P360 HydrophobicContact CE2-CG 4.21Å; P360-V391 HydrophobicContact CB-CG2 3.97Å; P360-V391 HydrophobicContact CG-CB 4.36Å; P360-V391 HydrophobicContact CG-CG2 3.27Å; P360-L435 WeakPolarHBondContact CG-O 3.5Å; P360-V436 CarbonylContact O-C 3.48Å; P360-V436 WeakPolarHBondContact O-CA 3.39Å; P360-D437 PolarHBondContact O-N 3.47Å |
| 361 | A | 95 | Very high | 86.7 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 149.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y390 V391 R440 L590 | A361-Y390 HydrophobicContact CB-CD1 3.88Å; A361-Y390 HydrophobicContact CB-CE1 4.2Å; A361-Y390 CarbonylContact O-C 3.6Å; A361-Y390 WeakPolarHBondContact O-CA 3.48Å; A361-V391 PolarHBondContact O-N 3.22Å; A361-R440 CarbonylContact C-O 3.55Å; A361-R440 WeakPolarHBondContact CA-O 3.44Å; A361-R440 HydrophobicContact CB-CB 3.71Å; A361-R440 VanDerWaalsContact CB-O 3.25Å; A361-R440 WeakPolarHBondContact CB-O 3.39Å; A361-L590 HydrophobicContact CB-CB 3.9Å; A361-L590 HydrophobicContact CB-CD1 4.31Å; A361-L590 HydrophobicContact CB-CG 4.48Å |
| 362 | G | 96.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 143.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V391 R440 M441 A442 | G362-V391 CarbonylContact C-O 3.56Å; G362-V391 VanDerWaalsContact CA-O 3.31Å; G362-V391 WeakPolarHBondContact CA-O 3.48Å; G362-R440 PolarHBondContact N-O 2.66Å; G362-M441 CarbonylContact O-C 3.3Å; G362-M441 WeakPolarHBondContact O-CA 3.17Å; G362-M441 WeakPolarHBondContact O-CB 3.5Å; G362-A442 PolarHBondContact O-N 3.4Å |
| 363 | I | 98.3 | Very high | 89 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.6 | 168.4 | -47.3 | -63.5 | 0 | 0 | 0 | 108.1 | V365 L385 Y390 V391 L393 A442 M444 F586 L590 | I363-V365 HydrophobicContact CG2-CG2 3.87Å; I363-V365 PolarHBondContact O-N 2.97Å; I363-L385 HydrophobicContact CB-CD1 4.49Å; I363-L385 HydrophobicContact CG2-CD1 4.2Å; I363-Y390 HydrophobicContact CD1-CD1 4.21Å; I363-Y390 HydrophobicContact CD1-CD2 4.43Å; I363-Y390 HydrophobicContact CD1-CG 4.1Å; I363-Y390 HydrophobicContact CG1-CD1 4.4Å; I363-Y390 HydrophobicContact CG1-CD2 4.22Å; I363-Y390 HydrophobicContact CG1-CG 3.87Å; I363-V391 PolarHBondContact N-O 3.31Å; I363-L393 PolarHBondContact O-N 3.46Å; I363-A442 HydrophobicContact CD1-CB 3.77Å; I363-M444 HydrophobicContact CG2-CG 3.7Å; I363-M444 HydrophobicContact CG2-SD 3.73Å; I363-F586 HydrophobicContact CD1-CD1 4.33Å; I363-F586 HydrophobicContact CD1-CD2 3.76Å; I363-F586 HydrophobicContact CD1-CE1 4.34Å; I363-F586 HydrophobicContact CD1-CE2 3.75Å; I363-F586 HydrophobicContact CD1-CG 4.06Å; I363-F586 HydrophobicContact CD1-CZ 4.05Å; I363-F586 HydrophobicContact CG1-CD2 4.43Å; I363-F586 HydrophobicContact CG1-CE2 4.23Å; I363-F586 HydrophobicContact CG2-CE2 4.02Å; I363-F586 HydrophobicContact CG2-CZ 4.08Å; I363-L590 HydrophobicContact CD1-CD1 3.36Å |
| 364 | N | 98 | Very high | 90.4 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 104.4 | 172.6 | -161.4 | 1.3 | 0 | 0 | 0 | 108.7 | I366 L393 I423 A442 I443 M444 Y464 | N364-I366 HydrophobicContact CB-CD1 4.35Å; N364-I366 VanDerWaalsContact OD1-CD1 3.3Å; N364-I366 WeakPolarHBondContact OD1-CD1 3.49Å; N364-L393 PolarHBondContact OD1-O 2.9Å; N364-I423 WeakPolarHBondContact ND2-CG2 3.46Å; N364-I423 PolarHBondContact ND2-O 3.44Å; N364-I423 VanDerWaalsContact ND2-O 3.1Å; N364-A442 PolarHBondContact N-O 2.99Å; N364-I443 WeakPolarHBondContact O-CA 3.43Å; N364-M444 PolarHBondContact O-N 3.4Å; N364-Y464 HydrophobicContact CB-CE1 4.17Å; N364-Y464 PolarHBondContact ND2-OH 2.78Å |
| 365 | V | 98.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 113.4 | -177.1 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | I363 E381 L385 V392 L393 Q394 M444 | I363-V365 HydrophobicContact CG2-CG2 3.87Å; I363-V365 PolarHBondContact O-N 2.97Å; V365-E381 WeakPolarHBondContact CG1-OE1 3.29Å; V365-L385 HydrophobicContact CG2-CD1 4.08Å; V365-V392 HydrophobicContact CB-CG1 4.21Å; V365-V392 HydrophobicContact CG2-CG1 3.52Å; V365-L393 PolarHBondContact N-O 3.4Å; V365-Q394 HydrophobicContact CB-CG 3.76Å; V365-Q394 HydrophobicContact CG1-CG 4.03Å; V365-M444 WeakPolarHBondContact CA-O 3.23Å; V365-M444 HydrophobicContact CB-CG 4.33Å; V365-M444 HydrophobicContact CG2-CG 3.69Å; V365-M444 HydrophobicContact CG2-SD 3.98Å |
| 366 | I | 98.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.1 | -172.6 | -45.1 | -51.8 | 0 | 0 | 0 | 109.2 | N364 F397 I423 I443 M444 Y448 G449 A452 | N364-I366 HydrophobicContact CB-CD1 4.35Å; N364-I366 VanDerWaalsContact OD1-CD1 3.3Å; N364-I366 WeakPolarHBondContact OD1-CD1 3.49Å; I366-F397 HydrophobicContact CG2-CD1 4.43Å; I366-F397 HydrophobicContact CG2-CE1 3.62Å; I366-F397 HydrophobicContact CG2-CZ 4.2Å; I366-I423 HydrophobicContact CD1-CB 4.41Å; I366-I423 HydrophobicContact CD1-CD1 4.23Å; I366-I423 HydrophobicContact CD1-CG1 4.11Å; I366-I423 HydrophobicContact CD1-CG2 3.5Å; I366-I423 VanDerWaalsContact CD1-CG2 3.5Å; I366-I423 HydrophobicContact CG1-CD1 4.39Å; I366-I423 HydrophobicContact CG1-CG2 4.28Å; I366-I423 HydrophobicContact CG2-CD1 3.71Å; I366-I423 HydrophobicContact CG2-CG1 4.45Å; I366-I443 HydrophobicContact CD1-CD1 4.43Å; I366-I443 HydrophobicContact CD1-CG1 4.46Å; I366-I443 HydrophobicContact CG1-CD1 4Å; I366-I443 HydrophobicContact CG1-CG1 3.93Å; I366-M444 PolarHBondContact N-O 3.03Å; I366-Y448 HydrophobicContact CG2-CE1 4.39Å; I366-G449 WeakPolarHBondContact O-CA 3.4Å; I366-A452 HydrophobicContact CG2-CB 4.01Å |
| 367 | H | 98 | Very high | 93.7 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 10% | 0.102 | 19% | 0.19 | C | C | . | . | trans | -69.5 | 147.8 | 178.1 | 68.5 | 77.7 | 0 | 0 | 0 | 112 | P370 R372 V374 C395 F397 S400 | H367-P370 PolarHBondContact CE1-O 3.44Å; H367-R372 PolarHBondContact CE1-O 2.69Å; H367-V374 HydrophobicContact CB-CG1 3.97Å; H367-C395 PolarHBondContact CD2-O 3.16Å; H367-F397 AromaticContact CD2-CE1 3.7Å; H367-F397 AromaticContact CE1-CE1 3.71Å; H367-F397 AromaticContact CE1-CE2 3.96Å; H367-F397 AromaticContact CE1-CZ 3.3Å; H367-F397 WeakPolarHBondContact CE1-CZ 3.27Å; H367-F397 AromaticContact ND1-CZ 3.82Å; H367-F397 AromaticContact NE2-CE1 3.38Å; H367-F397 WeakPolarHBondContact NE2-CE1 3.44Å; H367-F397 AromaticContact NE2-CZ 3.49Å; H367-F397 WeakPolarHBondContact NE2-CZ 3.46Å; H367-S400 PolarHBondContact NE2-OG 3.27Å; H367-S400 VanDerWaalsContact NE2-OG 3.17Å | ||
| 368 | G | 97 | Very high | 94.6 | Very high | 19 Ų | 19 | 34.9 Ų | 34.9 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -69.6 | 179.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A446 | G368-A446 WeakPolarHBondContact CA-O 3.5Š|
| 369 | G | 93 | Very high | 95.3 | Very high | 26 Ų | 26 | 28.8 Ų | 28.8 | 27% | 0.268 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 129.8 | -97.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 370 | P | 95.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.013 | 16% | 0.16 | C | C | . | . | S | Bend | cis | -80.3 | -10.7 | 7.6 | 29.6 | -37.3 | 0 | 0 | 0 | 115 | H367 R372 F397 W415 M419 Y448 | H367-P370 PolarHBondContact CE1-O 3.44Å; P370-R372 PolarHBondContact O-N 2.78Å; P370-F397 HydrophobicContact CB-CE2 3.92Å; P370-F397 HydrophobicContact CB-CZ 4.45Å; P370-W415 VanDerWaalsContact CD-CZ2 3.41Å; P370-W415 HydrophobicContact CG-CZ2 4.13Å; P370-M419 HydrophobicContact CB-CE 3.38Å; P370-M419 HydrophobicContact CG-CE 3.76Å; P370-Y448 HydrophobicContact CB-CD1 3.73Å; P370-Y448 HydrophobicContact CB-CD2 3.86Å; P370-Y448 HydrophobicContact CB-CE1 4Å; P370-Y448 HydrophobicContact CB-CE2 4.08Å; P370-Y448 HydrophobicContact CB-CG 3.67Å; P370-Y448 HydrophobicContact CG-CD2 4.05Å; P370-Y448 HydrophobicContact CG-CE2 4.3Å; P370-Y448 HydrophobicContact CG-CG 4.27Å |
| 371 | N | 95.9 | Very high | 95.6 | Very high | 25 Ų | 25 | 32.4 Ų | 32.4 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -78.8 | 63.9 | -177.9 | -49.7 | 104.3 | 0 | 0 | 0 | 111.1 | M178 G399 T401 L408 R497 | M178-N371 HydrophobicContact CE-CB 3.99Å; N371-G399 WeakPolarHBondContact CA-O 3.49Å; N371-G399 PolarHBondContact ND2-O 3.42Å; N371-T401 HydrophobicContact CB-CG2 4.32Å; N371-T401 WeakPolarHBondContact O-CG2 3.32Å; N371-L408 HydrophobicContact CB-CD1 3.96Å; N371-L408 WeakPolarHBondContact ND2-CD1 3.47Å; N371-R497 PolarHBondContact OD1-NE 2.87Å; N371-R497 PolarHBondContact OD1-NH2 3.4Å |
| 372 | R | 96.1 | Very high | 95.7 | Very high | 154 Ų | 154 | 32.3 Ų | 32.3 | 58% | 0.581 | 17% | 0.166 | S | C | * | . | trans | -138.8 | -172.7 | 172.9 | -69.6 | -169.1 | 169.5 | -153.7 | -3.8 | 108 | H367 P370 S400 T401 | H367-R372 PolarHBondContact CE1-O 2.69Å; P370-R372 PolarHBondContact O-N 2.78Å; R372-S400 CarbonylContact O-C 3.58Å; R372-S400 WeakPolarHBondContact O-CA 3.44Å; R372-S400 WeakPolarHBondContact O-CB 3.43Å; R372-T401 VanDerWaalsContact C-OG1 3.31Å; R372-T401 PolarHBondContact O-N 2.88Å; R372-T401 PolarHBondContact O-OG1 2.93Å | ||
| 373 | R | 96.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 9% | 0.087 | 17% | 0.167 | C | C | . | . | trans | -151.6 | 163.3 | 172 | 67 | 179.8 | -66.3 | -174.8 | -3.2 | 110.4 | Y244 Y245 Y375 N396 T401 F403 | Y244-R373 VanDerWaalsContact O-CZ 3.28Å; Y244-R373 PolarHBondContact O-NH1 2.66Å; Y244-R373 PolarHBondContact O-NH2 3.08Å; Y245-R373 PolarHBondContact O-NH2 3.16Å; Y245-R373 VanDerWaalsContact O-NH2 3.09Å; R373-Y375 VanDerWaalsContact CD-CE1 3.49Å; R373-Y375 WeakPolarHBondContact CD-OH 3.15Å; R373-Y375 HydrophobicContact CG-CD2 4.28Å; R373-Y375 HydrophobicContact CG-CE1 3.99Å; R373-Y375 HydrophobicContact CG-CE2 3.64Å; R373-Y375 VanDerWaalsContact CG-CZ 3.49Å; R373-N396 WeakPolarHBondContact CA-OD1 3.47Å; R373-N396 WeakPolarHBondContact CB-OD1 3.38Å; R373-T401 VanDerWaalsContact CD-O 3.3Å; R373-T401 WeakPolarHBondContact CD-O 3.44Å; R373-F403 VanDerWaalsContact NH2-CZ 3.27Å | ||
| 374 | V | 95.9 | Very high | 95.6 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | trans | -96 | 149.3 | 162.6 | -67.9 | 0 | 0 | 0 | 0 | 110.1 | Y344 H367 Q394 N396 | Y344-V374 HydrophobicContact CD2-CB 4.35Å; Y344-V374 HydrophobicContact CD2-CG2 3.69Å; Y344-V374 HydrophobicContact CE2-CB 4.46Å; Y344-V374 HydrophobicContact CE2-CG2 3.9Å; Y344-V374 WeakPolarHBondContact CE2-O 3.21Å; H367-V374 HydrophobicContact CB-CG1 3.97Å; V374-Q394 HydrophobicContact CB-CB 4.42Å; V374-Q394 HydrophobicContact CG1-CB 4.21Å; V374-Q394 HydrophobicContact CG2-CB 4.03Å; V374-N396 WeakPolarHBondContact CG2-OD1 3.44Å; V374-N396 PolarHBondContact N-OD1 2.94Å; V374-N396 PolarHBondContact O-ND2 2.98Å | ||
| 375 | Y | 93.8 | Very high | 95.5 | Very high | 52 Ų | 52 | 34.8 Ų | 34.8 | 20% | 0.204 | 18% | 0.177 | C | C | . | . | trans | -115.6 | 170 | 177 | -64.6 | -83.2 | 0 | 0 | 0 | 111.3 | H227 Y244 R328 R373 E377 | H227-Y375 AromaticContact CE1-CE1 3.91Å; H227-Y375 AromaticContact CE1-CZ 3.73Å; H227-Y375 PolarHBondContact CE1-OH 2.72Å; H227-Y375 AromaticContact ND1-CE1 3.89Å; H227-Y375 AromaticContact ND1-CZ 3.88Å; H227-Y375 PolarHBondContact ND1-OH 2.94Å; Y244-Y375 AromaticContact CD1-CD1 3.7Å; Y244-Y375 HydrophobicContact CD1-CD1 3.7Å; Y244-Y375 HydrophobicContact CD1-CE1 4.3Å; Y244-Y375 HydrophobicContact CD2-CD1 4.24Å; Y244-Y375 AromaticContact CE1-CD1 3.93Å; Y244-Y375 HydrophobicContact CE1-CD1 3.93Å; Y244-Y375 HydrophobicContact CE2-CD1 4.44Å; Y244-Y375 AromaticContact CG-CD1 3.87Å; Y244-Y375 HydrophobicContact CG-CD1 3.87Å; Y244-Y375 HydrophobicContact CG-CE1 4.12Å; R328-Y375 PolarHBondContact NE-O 2.83Å; R328-Y375 PolarHBondContact NH2-O 2.75Å; R373-Y375 VanDerWaalsContact CD-CE1 3.49Å; R373-Y375 WeakPolarHBondContact CD-OH 3.15Å; R373-Y375 HydrophobicContact CG-CD2 4.28Å; R373-Y375 HydrophobicContact CG-CE1 3.99Å; R373-Y375 HydrophobicContact CG-CE2 3.64Å; R373-Y375 VanDerWaalsContact CG-CZ 3.49Å; Y375-E377 PolarHBondContact O-N 3.27Å | ||
| 376 | W | 92.1 | Very high | 95.4 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 13% | 0.125 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -83.2 | 88 | 169.4 | -171 | 79.1 | 0 | 0 | 0 | 109.7 | Y244 T247 K272 N291 D292 R328 Y344 | Y244-W376 PolarHBondContact OH-O 3.03Å; T247-W376 HydrophobicContact CG2-CE3 4.37Å; K272-W376 HydrophobicContact CG-CE3 4.46Å; K272-W376 HydrophobicContact CG-CZ3 3.97Å; N291-W376 HydrophobicContact CB-CH2 3.64Å; N291-W376 HydrophobicContact CB-CZ3 3.67Å; D292-W376 HydrophobicContact CB-CZ2 3.82Å; D292-W376 WeakPolarHBondContact OD1-CZ2 3.43Å; R328-W376 PolarHBondContact O-NE1 3.48Å; Y344-W376 HydrophobicContact CD1-CB 4.07Å; Y344-W376 AromaticContact CD1-CD1 3.88Å; Y344-W376 HydrophobicContact CD1-CG 4.39Å; Y344-W376 HydrophobicContact CE1-CB 3.51Å; Y344-W376 HydrophobicContact CE1-CG 4.21Å; Y344-W376 PolarHBondContact OH-N 3.17Å |
| 377 | E | 91 | Very high | 95.1 | Very high | 87 Ų | 87 | 39.2 Ų | 39.2 | 41% | 0.407 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -150.2 | 171.7 | -177.3 | 64.3 | -168.9 | 172.9 | 0 | 0 | 110.9 | F290 Y375 S379 | F290-E377 HydrophobicContact CD2-CB 4.25Å; F290-E377 HydrophobicContact CE2-CB 4.26Å; Y375-E377 PolarHBondContact O-N 3.27Å; E377-S379 PolarHBondContact O-N 3.18Å |
| 378 | Y | 93.5 | Very high | 94.9 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 20% | 0.2 | 20% | 0.201 | C | C | . | . | trans | -64.2 | 130.4 | 172.6 | 171.3 | -90.3 | 0 | 0 | 0 | 110.4 | N291 A295 L320 L325 Q383 | N291-Y378 WeakPolarHBondContact O-CB 3.27Å; N291-Y378 PolarHBondContact O-N 2.87Å; A295-Y378 HydrophobicContact CB-CD1 3.66Å; A295-Y378 HydrophobicContact CB-CD2 4.05Å; A295-Y378 HydrophobicContact CB-CE1 3.77Å; A295-Y378 HydrophobicContact CB-CE2 4.12Å; A295-Y378 HydrophobicContact CB-CG 3.83Å; L320-Y378 HydrophobicContact CD1-CE2 3.93Å; L320-Y378 VanDerWaalsContact CD1-OH 3.27Å; L320-Y378 WeakPolarHBondContact CD1-OH 3.27Å; L325-Y378 HydrophobicContact CD1-CD2 4.06Å; L325-Y378 HydrophobicContact CD1-CE2 3.73Å; Y378-Q383 HydrophobicContact CD2-CG 3.98Å; Y378-Q383 HydrophobicContact CE2-CB 4.41Å; Y378-Q383 HydrophobicContact CE2-CG 3.66Å | ||
| 379 | S | 94.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | trans | -127.3 | 120.2 | 171.4 | 163.6 | 0 | 0 | 0 | 0 | 108.6 | E377 E381 D382 Q383 | E377-S379 PolarHBondContact O-N 3.18Å; S379-E381 VanDerWaalsContact C-N 3.26Å; S379-E381 PolarHBondContact O-N 2.98Å; S379-D382 WeakPolarHBondContact CB-OD1 3.23Å; S379-D382 PolarHBondContact O-N 3.02Å; S379-D382 VanDerWaalsContact OG-CG 3.29Å; S379-D382 PolarHBondContact OG-N 2.74Å; S379-D382 VanDerWaalsContact OG-N 3.15Å; S379-D382 PolarHBondContact OG-OD1 2.59Å; S379-Q383 WeakPolarHBondContact O-CB 3.11Å; S379-Q383 WeakPolarHBondContact O-CG 3.44Å; S379-Q383 PolarHBondContact O-N 2.75Å | ||
| 380 | S | 94.7 | Very high | 94.8 | Very high | 76 Ų | 76 | 39.2 Ų | 39.2 | 53% | 0.531 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.3 | -35.9 | 177.8 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | Q383 L384 | S380-Q383 PolarHBondContact O-N 2.7Å; S380-L384 WeakPolarHBondContact O-CB 3.17Å; S380-L384 PolarHBondContact O-N 2.87Å |
| 381 | E | 96 | Very high | 94.8 | Very high | 44 Ų | 44 | 39.1 Ų | 39.1 | 21% | 0.206 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -51.3 | 175 | 176.3 | 174.5 | 85.5 | 0 | 0 | 111 | V365 S379 Q383 L384 L385 M444 F579 | V365-E381 WeakPolarHBondContact CG1-OE1 3.29Å; S379-E381 VanDerWaalsContact C-N 3.26Å; S379-E381 PolarHBondContact O-N 2.98Å; E381-Q383 VanDerWaalsContact C-N 3.29Å; E381-Q383 PolarHBondContact O-N 2.78Å; E381-L384 PolarHBondContact O-N 2.85Å; E381-L385 HydrophobicContact CG-CD1 4.08Å; E381-L385 WeakPolarHBondContact O-CG 3.45Å; E381-L385 PolarHBondContact O-N 2.91Å; E381-M444 HydrophobicContact CG-CE 4.3Å; E381-M444 WeakPolarHBondContact OE2-CE 3.48Å; E381-F579 HydrophobicContact CB-CE1 4.41Å; E381-F579 HydrophobicContact CB-CZ 4.19Å; E381-F579 HydrophobicContact CG-CE1 3.99Å; E381-F579 HydrophobicContact CG-CZ 4.14Å |
| 382 | D | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | -180 | -65.9 | 34.6 | 0 | 0 | 0 | 111.1 | R328 T346 S379 L385 A386 V392 Q394 | R328-D382 IonicContact NH1-OD2 3.91Å; R328-D382 PolarHBondContact NH1-OD2 3.35Å; T346-D382 HydrophobicContact CG2-CB 4.33Å; T346-D382 PolarHBondContact OG1-OD2 3.25Å; S379-D382 WeakPolarHBondContact CB-OD1 3.23Å; S379-D382 PolarHBondContact O-N 3.02Å; S379-D382 VanDerWaalsContact OG-CG 3.29Å; S379-D382 PolarHBondContact OG-N 2.74Å; S379-D382 VanDerWaalsContact OG-N 3.15Å; S379-D382 PolarHBondContact OG-OD1 2.59Å; D382-L385 PolarHBondContact O-N 3.13Å; D382-A386 WeakPolarHBondContact O-CB 3.18Å; D382-A386 PolarHBondContact O-N 3.19Å; D382-V392 HydrophobicContact CB-CG1 4.32Å; D382-Q394 PolarHBondContact OD1-NE2 3.36Å; D382-Q394 PolarHBondContact OD2-OE1 2.58Å |
| 383 | Q | 96 | Very high | 95 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.8 | -39.8 | 179.6 | -70.3 | -63.8 | -22.7 | 0 | 0 | 111.9 | D292 L325 A326 Y378 S379 S380 E381 N387 | D292-Q383 PolarHBondContact O-NE2 3.45Å; L325-Q383 HydrophobicContact CD2-CG 4.45Å; A326-Q383 PolarHBondContact O-NE2 3.38Å; Y378-Q383 HydrophobicContact CD2-CG 3.98Å; Y378-Q383 HydrophobicContact CE2-CB 4.41Å; Y378-Q383 HydrophobicContact CE2-CG 3.66Å; S379-Q383 WeakPolarHBondContact O-CB 3.11Å; S379-Q383 WeakPolarHBondContact O-CG 3.44Å; S379-Q383 PolarHBondContact O-N 2.75Å; S380-Q383 PolarHBondContact O-N 2.7Å; E381-Q383 VanDerWaalsContact C-N 3.29Å; E381-Q383 PolarHBondContact O-N 2.78Å; Q383-N387 WeakPolarHBondContact O-CB 3.37Å; Q383-N387 PolarHBondContact O-N 3.29Å |
| 384 | L | 95.4 | Very high | 95.1 | Very high | 42 Ų | 42 | 30.7 Ų | 30.7 | 22% | 0.22 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -52.3 | 173.9 | 175.8 | 63.7 | 0 | 0 | 0 | 110.8 | S380 E381 A386 N387 R388 F579 | S380-L384 WeakPolarHBondContact O-CB 3.17Å; S380-L384 PolarHBondContact O-N 2.87Å; E381-L384 PolarHBondContact O-N 2.85Å; L384-A386 PolarHBondContact O-N 2.91Å; L384-N387 WeakPolarHBondContact O-CB 3.37Å; L384-N387 PolarHBondContact O-N 2.89Å; L384-R388 WeakPolarHBondContact O-CG 3.3Å; L384-R388 PolarHBondContact O-N 3.04Å; L384-R388 VanDerWaalsContact O-N 3.08Å; L384-F579 HydrophobicContact CD2-CB 3.88Å; L384-F579 HydrophobicContact CD2-CD1 3.54Å; L384-F579 HydrophobicContact CD2-CE1 4.27Å; L384-F579 HydrophobicContact CD2-CG 3.78Å |
| 385 | L | 96.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | -179.4 | -65.1 | 173.3 | 0 | 0 | 0 | 111.7 | I363 V365 E381 D382 N387 R388 G389 Y390 V392 M444 I582 F586 | I363-L385 HydrophobicContact CB-CD1 4.49Å; I363-L385 HydrophobicContact CG2-CD1 4.2Å; V365-L385 HydrophobicContact CG2-CD1 4.08Å; E381-L385 HydrophobicContact CG-CD1 4.08Å; E381-L385 WeakPolarHBondContact O-CG 3.45Å; E381-L385 PolarHBondContact O-N 2.91Å; D382-L385 PolarHBondContact O-N 3.13Å; L385-N387 VanDerWaalsContact C-N 3.34Å; L385-N387 PolarHBondContact O-N 3.14Å; L385-R388 PolarHBondContact O-N 2.57Å; L385-R388 VanDerWaalsContact O-N 3.13Å; L385-G389 PolarHBondContact O-N 3.34Å; L385-Y390 HydrophobicContact CB-CD2 4.38Å; L385-Y390 HydrophobicContact CD2-CD2 4.39Å; L385-Y390 WeakPolarHBondContact O-CB 3.18Å; L385-Y390 WeakPolarHBondContact O-CD2 3.4Å; L385-Y390 PolarHBondContact O-N 3.35Å; L385-V392 HydrophobicContact CB-CG2 3.54Å; L385-V392 HydrophobicContact CD1-CG2 4.18Å; L385-M444 HydrophobicContact CD1-SD 3.73Å; L385-I582 HydrophobicContact CD2-CG2 4.37Å; L385-F586 HydrophobicContact CD2-CD2 3.83Å; L385-F586 HydrophobicContact CD2-CE2 3.77Å |
| 386 | A | 95.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.2 | -34.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A326 T346 P348 D382 L384 R388 G389 Y390 | A326-A386 HydrophobicContact CB-CB 3.5Å; T346-A386 HydrophobicContact CG2-CB 3.84Å; P348-A386 WeakPolarHBondContact CB-O 3.43Å; D382-A386 WeakPolarHBondContact O-CB 3.18Å; D382-A386 PolarHBondContact O-N 3.19Å; L384-A386 PolarHBondContact O-N 2.91Å; A386-R388 PolarHBondContact O-N 3.06Å; A386-G389 PolarHBondContact O-N 3.42Å; A386-G389 VanDerWaalsContact O-N 3.16Å; A386-Y390 WeakPolarHBondContact CA-O 3.35Å |
| 387 | N | 93.2 | Very high | 95.7 | Very high | 103 Ų | 103 | 26.1 Ų | 26.1 | 55% | 0.551 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -60.5 | -37.4 | 171.4 | -175.3 | -82.4 | 0 | 0 | 0 | 111.4 | Q383 L384 L385 G389 | Q383-N387 WeakPolarHBondContact O-CB 3.37Å; Q383-N387 PolarHBondContact O-N 3.29Å; L384-N387 WeakPolarHBondContact O-CB 3.37Å; L384-N387 PolarHBondContact O-N 2.89Å; L385-N387 VanDerWaalsContact C-N 3.34Å; L385-N387 PolarHBondContact O-N 3.14Å; N387-G389 PolarHBondContact O-N 2.72Å |
| 388 | R | 93.9 | Very high | 96 | Very high | 28 Ų | 28 | 22.2 Ų | 22.2 | 11% | 0.106 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 3.5 | 177.2 | -61.8 | -37.8 | -179.7 | -150.6 | 3.8 | 115.4 | L384 L385 A386 Y390 E583 S593 E595 | L384-R388 WeakPolarHBondContact O-CG 3.3Å; L384-R388 PolarHBondContact O-N 3.04Å; L384-R388 VanDerWaalsContact O-N 3.08Å; L385-R388 PolarHBondContact O-N 2.57Å; L385-R388 VanDerWaalsContact O-N 3.13Å; A386-R388 PolarHBondContact O-N 3.06Å; R388-Y390 HydrophobicContact CB-CD2 3.88Å; R388-Y390 HydrophobicContact CB-CE2 3.63Å; R388-E583 HydrophobicContact CG-CG 4.4Å; R388-E583 IonicContact CZ-OE1 3.96Å; R388-E583 IonicContact CZ-OE2 3.36Å; R388-E583 IonicContact NE-OE1 3.97Å; R388-E583 PolarHBondContact NE-OE1 3.43Å; R388-E583 IonicContact NE-OE2 3.38Å; R388-E583 IonicContact NH2-OE1 2.76Å; R388-E583 PolarHBondContact NH2-OE1 2.73Å; R388-E583 IonicContact NH2-OE2 3.48Å; R388-E583 PolarHBondContact NH2-OE2 2.92Å; R388-S593 VanDerWaalsContact CA-OG 3.25Å; R388-S593 WeakPolarHBondContact CA-OG 3.42Å; R388-S593 VanDerWaalsContact CB-O 3.31Å; R388-S593 WeakPolarHBondContact CB-O 3.3Å; R388-S593 WeakPolarHBondContact CD-O 3.03Å; R388-S593 WeakPolarHBondContact CG-O 3.26Å; R388-S593 PolarHBondContact O-N 3.33Å; R388-S593 PolarHBondContact O-OG 2.93Å; R388-E595 IonicContact CZ-OE1 3.32Å; R388-E595 IonicContact NH1-OE1 2.98Å; R388-E595 PolarHBondContact NH1-OE1 3.31Å; R388-E595 IonicContact NH2-OE1 3.78Å; R388-E595 PolarHBondContact NH2-OE1 2.86Å; R388-E595 IonicContact NH2-OE2 3.08Å |
| 389 | G | 92.4 | Very high | 96.3 | Very high | 35 Ų | 35 | 19.8 Ų | 19.8 | 36% | 0.361 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 11.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P348 L385 A386 N387 | P348-G389 VanDerWaalsContact CG-C 3.49Å; P348-G389 WeakPolarHBondContact CG-O 3.22Å; L385-G389 PolarHBondContact O-N 3.34Å; A386-G389 PolarHBondContact O-N 3.42Å; A386-G389 VanDerWaalsContact O-N 3.16Å; N387-G389 PolarHBondContact O-N 2.72Å |
| 390 | Y | 95.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -94.2 | 143.7 | 179.2 | -52.1 | -61.7 | 0 | 0 | 0 | 112.9 | P348 A361 I363 L385 A386 R388 F586 A587 L590 G592 | P348-Y390 WeakPolarHBondContact CD-O 3.4Å; P348-Y390 VanDerWaalsContact CG-O 3.29Å; P348-Y390 WeakPolarHBondContact CG-O 3.35Å; A361-Y390 HydrophobicContact CB-CD1 3.88Å; A361-Y390 HydrophobicContact CB-CE1 4.2Å; A361-Y390 CarbonylContact O-C 3.6Å; A361-Y390 WeakPolarHBondContact O-CA 3.48Å; I363-Y390 HydrophobicContact CD1-CD1 4.21Å; I363-Y390 HydrophobicContact CD1-CD2 4.43Å; I363-Y390 HydrophobicContact CD1-CG 4.1Å; I363-Y390 HydrophobicContact CG1-CD1 4.4Å; I363-Y390 HydrophobicContact CG1-CD2 4.22Å; I363-Y390 HydrophobicContact CG1-CG 3.87Å; L385-Y390 HydrophobicContact CB-CD2 4.38Å; L385-Y390 HydrophobicContact CD2-CD2 4.39Å; L385-Y390 WeakPolarHBondContact O-CB 3.18Å; L385-Y390 WeakPolarHBondContact O-CD2 3.4Å; L385-Y390 PolarHBondContact O-N 3.35Å; A386-Y390 WeakPolarHBondContact CA-O 3.35Å; R388-Y390 HydrophobicContact CB-CD2 3.88Å; R388-Y390 HydrophobicContact CB-CE2 3.63Å; Y390-F586 HydrophobicContact CE2-CB 3.97Å; Y390-F586 HydrophobicContact CE2-CD2 4.39Å; Y390-F586 VanDerWaalsContact OH-CB 3.26Å; Y390-F586 WeakPolarHBondContact OH-CB 3.35Å; Y390-F586 PolarHBondContact OH-O 3.38Å; Y390-F586 VanDerWaalsContact OH-O 3.13Å; Y390-A587 PolarHBondContact OH-N 2.96Å; Y390-L590 HydrophobicContact CD1-CD1 4.18Å; Y390-L590 HydrophobicContact CE1-CB 3.8Å; Y390-L590 HydrophobicContact CE1-CD1 3.86Å; Y390-G592 VanDerWaalsContact OH-CA 3.26Å; Y390-G592 WeakPolarHBondContact OH-CA 3.17Å; Y390-G592 PolarHBondContact OH-N 2.91Å |
| 391 | V | 95.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.8 | 161.3 | 169.7 | 0 | 0 | 0 | 0 | 108.3 | L345 T346 M347 P348 P360 A361 G362 I363 V436 | L345-V391 HydrophobicContact CD1-CG1 3.51Å; L345-V391 HydrophobicContact CD2-CG1 4.24Å; L345-V391 HydrophobicContact CG-CG1 3.71Å; T346-V391 WeakPolarHBondContact O-CA 3.39Å; M347-V391 HydrophobicContact CE-CG2 3.56Å; M347-V391 HydrophobicContact SD-CB 4.37Å; M347-V391 HydrophobicContact SD-CG1 3.84Å; M347-V391 HydrophobicContact SD-CG2 3.61Å; P348-V391 HydrophobicContact CG-CG2 4.41Å; P360-V391 HydrophobicContact CB-CG2 3.97Å; P360-V391 HydrophobicContact CG-CB 4.36Å; P360-V391 HydrophobicContact CG-CG2 3.27Å; A361-V391 PolarHBondContact O-N 3.22Å; G362-V391 CarbonylContact C-O 3.56Å; G362-V391 VanDerWaalsContact CA-O 3.31Å; G362-V391 WeakPolarHBondContact CA-O 3.48Å; I363-V391 PolarHBondContact N-O 3.31Å; V391-V436 HydrophobicContact CB-CG1 3.55Å; V391-V436 HydrophobicContact CG1-CG1 3.58Å; V391-V436 HydrophobicContact CG2-CG1 4.1Å |
| 392 | V | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.3 | 177.8 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | L345 T346 V365 D382 L385 | L345-V392 CarbonylContact C-O 3.6Å; L345-V392 WeakPolarHBondContact CA-O 3.47Å; T346-V392 PolarHBondContact N-O 3.17Å; T346-V392 PolarHBondContact O-N 2.84Å; V365-V392 HydrophobicContact CB-CG1 4.21Å; V365-V392 HydrophobicContact CG2-CG1 3.52Å; D382-V392 HydrophobicContact CB-CG1 4.32Å; L385-V392 HydrophobicContact CB-CG2 3.54Å; L385-V392 HydrophobicContact CD1-CG2 4.18Å |
| 393 | L | 98 | Very high | 96.6 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.5 | 176.2 | 179.9 | 65.5 | 0 | 0 | 0 | 109 | C343 L345 I363 N364 V365 A426 A430 | C343-L393 HydrophobicContact CB-CD1 4Å; L345-L393 HydrophobicContact CD1-CB 4.12Å; L345-L393 HydrophobicContact CD1-CD1 3.65Å; L345-L393 HydrophobicContact CD1-CG 4.44Å; I363-L393 PolarHBondContact O-N 3.46Å; N364-L393 PolarHBondContact OD1-O 2.9Å; V365-L393 PolarHBondContact N-O 3.4Å; L393-A426 HydrophobicContact CD2-CB 4.06Å; L393-A430 HydrophobicContact CD2-CB 4.3Å |
| 394 | Q | 97.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 15.3 Ų | 15.3 | 8% | 0.084 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.6 | 172 | -73.1 | -178.6 | -29.6 | 0 | 0 | 109.2 | R328 C343 Y344 V365 V374 D382 | R328-Q394 VanDerWaalsContact CZ-OE1 3.28Å; C343-Q394 CarbonylContact C-O 3.51Å; C343-Q394 VanDerWaalsContact CA-O 3.29Å; C343-Q394 WeakPolarHBondContact CA-O 3.46Å; Y344-Q394 PolarHBondContact N-O 3.34Å; Y344-Q394 PolarHBondContact O-N 3.25Å; V365-Q394 HydrophobicContact CB-CG 3.76Å; V365-Q394 HydrophobicContact CG1-CG 4.03Å; V374-Q394 HydrophobicContact CB-CB 4.42Å; V374-Q394 HydrophobicContact CG1-CB 4.21Å; V374-Q394 HydrophobicContact CG2-CB 4.03Å; D382-Q394 PolarHBondContact OD1-NE2 3.36Å; D382-Q394 PolarHBondContact OD2-OE1 2.58Å |
| 395 | C | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 3% | 0.027 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.1 | -176.7 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | C343 H367 F397 A426 | C343-C395 HydrophobicContact CB-CB 4.1Å; C343-C395 WeakPolarHBondContact CB-SG 3.31Å; C343-C395 WeakPolarHBondContact SG-CB 3.45Å; C343-C395 CovalentContact SG-SG 2.03Å; C343-C395 PolarHBondContact SG-SG 3.23Å; H367-C395 PolarHBondContact CD2-O 3.16Å; C395-F397 WeakPolarHBondContact O-CD1 3.41Å; C395-F397 PolarHBondContact O-N 3.45Å; C395-A426 HydrophobicContact CB-CB 4.21Å; C395-A426 WeakPolarHBondContact SG-CB 3.33Å |
| 396 | N | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 84 | 169.4 | -64.3 | -56.7 | 0 | 0 | 0 | 109.1 | Q341 L342 R373 V374 S400 F403 F407 | Q341-N396 VanDerWaalsContact CB-O 3.26Å; Q341-N396 WeakPolarHBondContact CB-O 3.46Å; L342-N396 WeakPolarHBondContact O-CB 3.21Å; L342-N396 PolarHBondContact O-N 2.91Å; L342-N396 PolarHBondContact O-ND2 3.34Å; R373-N396 WeakPolarHBondContact CA-OD1 3.47Å; R373-N396 WeakPolarHBondContact CB-OD1 3.38Å; V374-N396 WeakPolarHBondContact CG2-OD1 3.44Å; V374-N396 PolarHBondContact N-OD1 2.94Å; V374-N396 PolarHBondContact O-ND2 2.98Å; N396-S400 VanDerWaalsContact C-OG 3.3Å; N396-S400 WeakPolarHBondContact CA-OG 3.28Å; N396-F403 HydrophobicContact CB-CD2 4.48Å; N396-F403 HydrophobicContact CB-CE2 3.52Å; N396-F403 HydrophobicContact CB-CZ 3.86Å; N396-F407 VanDerWaalsContact O-CZ 3.29Å; N396-F407 WeakPolarHBondContact O-CZ 3.18Å |
| 397 | F | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | trans | -68.8 | 166.6 | 176.5 | 47.6 | -94.6 | 0 | 0 | 0 | 111.7 | I366 H367 P370 C395 G399 S400 F407 M419 D422 I423 Y448 | I366-F397 HydrophobicContact CG2-CD1 4.43Å; I366-F397 HydrophobicContact CG2-CE1 3.62Å; I366-F397 HydrophobicContact CG2-CZ 4.2Å; H367-F397 AromaticContact CD2-CE1 3.7Å; H367-F397 AromaticContact CE1-CE1 3.71Å; H367-F397 AromaticContact CE1-CE2 3.96Å; H367-F397 AromaticContact CE1-CZ 3.3Å; H367-F397 WeakPolarHBondContact CE1-CZ 3.27Å; H367-F397 AromaticContact ND1-CZ 3.82Å; H367-F397 AromaticContact NE2-CE1 3.38Å; H367-F397 WeakPolarHBondContact NE2-CE1 3.44Å; H367-F397 AromaticContact NE2-CZ 3.49Å; H367-F397 WeakPolarHBondContact NE2-CZ 3.46Å; P370-F397 HydrophobicContact CB-CE2 3.92Å; P370-F397 HydrophobicContact CB-CZ 4.45Å; C395-F397 WeakPolarHBondContact O-CD1 3.41Å; C395-F397 PolarHBondContact O-N 3.45Å; F397-G399 PolarHBondContact O-N 3.48Å; F397-S400 PolarHBondContact N-OG 2.85Å; F397-S400 VanDerWaalsContact O-CB 3.29Å; F397-S400 WeakPolarHBondContact O-CB 3.19Å; F397-S400 PolarHBondContact O-N 2.86Å; F397-S400 PolarHBondContact O-OG 3.13Å; F397-F407 WeakPolarHBondContact O-CE1 3.32Å; F397-M419 HydrophobicContact CD2-CB 4.47Å; F397-M419 HydrophobicContact CD2-CE 3.66Å; F397-M419 HydrophobicContact CE2-CE 3.46Å; F397-M419 VanDerWaalsContact CE2-CE 3.46Å; F397-D422 HydrophobicContact CB-CB 3.66Å; F397-I423 HydrophobicContact CB-CG1 4.4Å; F397-I423 HydrophobicContact CD1-CD1 4.16Å; F397-I423 HydrophobicContact CD1-CG1 3.86Å; F397-I423 HydrophobicContact CE1-CD1 4.39Å; F397-I423 HydrophobicContact CG-CG1 4.22Å; F397-Y448 HydrophobicContact CD2-CE1 4.31Å; F397-Y448 HydrophobicContact CE1-CE1 4.16Å; F397-Y448 HydrophobicContact CE2-CD1 4.02Å; F397-Y448 AromaticContact CE2-CE1 3.39Å; F397-Y448 HydrophobicContact CE2-CE1 3.39Å; F397-Y448 AromaticContact CZ-CD1 3.64Å; F397-Y448 HydrophobicContact CZ-CD1 3.64Å; F397-Y448 AromaticContact CZ-CE1 3.29Å; F397-Y448 HydrophobicContact CZ-CE1 3.29Å | ||
| 398 | R | 98.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 2% | 0.019 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 137.2 | 178.6 | 75.2 | -171.7 | 67.3 | -151.8 | -1.8 | 111.6 | D337 L339 A410 M419 D422 | D337-R398 IonicContact OD1-CZ 3.18Å; D337-R398 IonicContact OD1-NH1 3.88Å; D337-R398 IonicContact OD1-NH2 2.99Å; D337-R398 PolarHBondContact OD1-NH2 3.06Å; D337-R398 IonicContact OD2-CZ 3.98Å; D337-R398 IonicContact OD2-NH1 3.53Å; D337-R398 PolarHBondContact OD2-NH1 3.09Å; D337-R398 IonicContact OD2-NH2 2.74Å; D337-R398 PolarHBondContact OD2-NH2 2.62Å; L339-R398 HydrophobicContact CD2-CB 3.57Å; R398-A410 HydrophobicContact CB-CB 4Å; R398-A410 WeakPolarHBondContact CD-O 3.24Å; R398-M419 HydrophobicContact CG-CB 4.4Å; R398-M419 HydrophobicContact CG-CG 3.62Å; R398-M419 WeakPolarHBondContact O-CE 3.46Å; R398-M419 WeakPolarHBondContact O-CG 3.39Å; R398-D422 WeakPolarHBondContact CB-OD2 3.4Å; R398-D422 WeakPolarHBondContact CG-OD2 3.49Å; R398-D422 IonicContact CZ-OD1 3.22Å; R398-D422 VanDerWaalsContact CZ-OD1 3.27Å; R398-D422 IonicContact CZ-OD2 3.75Å; R398-D422 PolarHBondContact N-OD2 3.49Å; R398-D422 VanDerWaalsContact NE-CG 3.27Å; R398-D422 IonicContact NE-OD1 2.83Å; R398-D422 PolarHBondContact NE-OD1 3.13Å; R398-D422 VanDerWaalsContact NE-OD1 3.08Å; R398-D422 IonicContact NE-OD2 3.54Å; R398-D422 PolarHBondContact NE-OD2 3.27Å; R398-D422 IonicContact NH2-OD1 2.75Å; R398-D422 PolarHBondContact NH2-OD1 3.12Å; R398-D422 IonicContact NH2-OD2 2.66Å |
| 399 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -10.3 | -170 | 0 | 0 | 0 | 0 | 0 | 114.9 | N371 F397 F407 L408 | N371-G399 WeakPolarHBondContact CA-O 3.49Å; N371-G399 PolarHBondContact ND2-O 3.42Å; F397-G399 PolarHBondContact O-N 3.48Å; G399-F407 PolarHBondContact N-O 3.08Å; G399-L408 WeakPolarHBondContact CA-O 3.45Å; G399-L408 WeakPolarHBondContact O-CD1 3.43Å |
| 400 | S | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -66.3 | 150.9 | 169.2 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | H367 R372 N396 F397 F407 | H367-S400 PolarHBondContact NE2-OG 3.27Å; H367-S400 VanDerWaalsContact NE2-OG 3.17Å; R372-S400 CarbonylContact O-C 3.58Å; R372-S400 WeakPolarHBondContact O-CA 3.44Å; R372-S400 WeakPolarHBondContact O-CB 3.43Å; N396-S400 VanDerWaalsContact C-OG 3.3Å; N396-S400 WeakPolarHBondContact CA-OG 3.28Å; F397-S400 PolarHBondContact N-OG 2.85Å; F397-S400 VanDerWaalsContact O-CB 3.29Å; F397-S400 WeakPolarHBondContact O-CB 3.19Å; F397-S400 PolarHBondContact O-N 2.86Å; F397-S400 PolarHBondContact O-OG 3.13Å; S400-F407 WeakPolarHBondContact O-CD1 3.49Å | ||
| 401 | T | 97.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 14 Ų | 14 | 29% | 0.288 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -80.1 | 165.1 | 175.2 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | N371 R372 R373 F403 L408 | N371-T401 HydrophobicContact CB-CG2 4.32Å; N371-T401 WeakPolarHBondContact O-CG2 3.32Å; R372-T401 VanDerWaalsContact C-OG1 3.31Å; R372-T401 PolarHBondContact O-N 2.88Å; R372-T401 PolarHBondContact O-OG1 2.93Å; R373-T401 VanDerWaalsContact CD-O 3.3Å; R373-T401 WeakPolarHBondContact CD-O 3.44Å; T401-F403 WeakPolarHBondContact O-CD2 3.45Å; T401-F403 VanDerWaalsContact O-CE2 3.27Å; T401-F403 WeakPolarHBondContact O-CE2 3.41Å; T401-L408 HydrophobicContact CG2-CD1 4.11Å |
| 402 | G | 96.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 15.6 Ų | 15.6 | 8% | 0.082 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 97.1 | -6.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S224 D225 | S224-G402 VanDerWaalsContact CB-O 3.3Å; S224-G402 WeakPolarHBondContact CB-O 3.44Å; D225-G402 VanDerWaalsContact CG-C 3.46Å; D225-G402 PolarHBondContact N-O 3.33Å; D225-G402 WeakPolarHBondContact OD2-CA 3.46Å; D225-G402 PolarHBondContact OD2-N 2.85Å |
| 403 | F | 97 | Very high | 97.9 | Very high | 14 Ų | 14 | 16.5 Ų | 16.5 | 6% | 0.061 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -119 | 8.3 | -173 | -55.3 | -77.7 | 0 | 0 | 0 | 113.5 | K202 D225 Y245 L342 R373 N396 T401 F407 | K202-F403 PolarHBondContact NZ-O 3.25Å; K202-F403 VanDerWaalsContact NZ-O 3.12Å; D225-F403 PolarHBondContact OD2-N 3.49Å; D225-F403 VanDerWaalsContact OD2-N 3.16Å; Y245-F403 HydrophobicContact CD2-CD1 4Å; Y245-F403 AromaticContact CD2-CE1 3.93Å; Y245-F403 HydrophobicContact CD2-CE1 3.93Å; Y245-F403 AromaticContact CE2-CD1 3.84Å; Y245-F403 HydrophobicContact CE2-CD1 3.84Å; Y245-F403 AromaticContact CE2-CE1 3.9Å; Y245-F403 HydrophobicContact CE2-CE1 3.9Å; L342-F403 HydrophobicContact CB-CE1 3.96Å; L342-F403 HydrophobicContact CB-CZ 3.98Å; L342-F403 HydrophobicContact CD2-CE1 3.94Å; L342-F403 HydrophobicContact CD2-CZ 4.03Å; R373-F403 VanDerWaalsContact NH2-CZ 3.27Å; N396-F403 HydrophobicContact CB-CD2 4.48Å; N396-F403 HydrophobicContact CB-CE2 3.52Å; N396-F403 HydrophobicContact CB-CZ 3.86Å; T401-F403 WeakPolarHBondContact O-CD2 3.45Å; T401-F403 VanDerWaalsContact O-CE2 3.27Å; T401-F403 WeakPolarHBondContact O-CE2 3.41Å; F403-F407 HydrophobicContact CB-CB 3.81Å; F403-F407 HydrophobicContact CB-CD1 3.84Å; F403-F407 HydrophobicContact CB-CD2 4.11Å; F403-F407 HydrophobicContact CB-CE1 4.46Å; F403-F407 HydrophobicContact CB-CG 3.64Å; F403-F407 AromaticContact CD2-CD1 3.99Å; F403-F407 HydrophobicContact CD2-CD1 3.99Å; F403-F407 AromaticContact CD2-CE1 3.96Å; F403-F407 HydrophobicContact CD2-CE1 3.96Å; F403-F407 HydrophobicContact CG-CD1 4.27Å; F403-F407 HydrophobicContact CG-CE1 4.45Å; F403-F407 HydrophobicContact CG-CG 4.43Å |
| 404 | G | 97.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | trans | 104.2 | 159.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D201 D225 E406 F407 L408 | D201-G404 CarbonylContact O-C 3.44Å; D201-G404 VanDerWaalsContact O-CA 3.25Å; D201-G404 WeakPolarHBondContact O-CA 3.35Å; D225-G404 WeakPolarHBondContact OD1-CA 3.32Å; D225-G404 PolarHBondContact OD1-N 3.25Å; D225-G404 VanDerWaalsContact OD1-N 3.13Å; D225-G404 PolarHBondContact OD2-N 3.06Å; G404-E406 VanDerWaalsContact C-N 3.29Å; G404-E406 PolarHBondContact O-N 3.34Å; G404-F407 PolarHBondContact O-N 3.37Å; G404-L408 PolarHBondContact O-N 3.03Å | ||
| 405 | K | 97.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 18 Ų | 18 | 11% | 0.109 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.2 | -29.9 | -176.5 | 64.2 | 167.4 | 178.5 | -89.9 | 0 | 113.1 | K175 V176 S197 T200 D201 A409 | K175-K405 HydrophobicContact CD-CD 4.48Å; K175-K405 WeakPolarHBondContact O-CB 3.2Å; V176-K405 HydrophobicContact CG2-CD 3.86Å; S197-K405 WeakPolarHBondContact O-CD 3.37Å; S197-K405 PolarHBondContact O-NZ 3.39Å; T200-K405 VanDerWaalsContact C-NZ 3.32Å; T200-K405 PolarHBondContact O-NZ 3.16Å; D201-K405 PolarHBondContact O-N 3.16Å; D201-K405 PolarHBondContact OD1-N 3.31Å; K405-A409 WeakPolarHBondContact O-CB 3.36Å; K405-A409 PolarHBondContact O-N 3.39Å |
| 406 | E | 97.5 | Very high | 97.7 | Very high | 90 Ų | 90 | 18.1 Ų | 18.1 | 42% | 0.421 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -73.9 | -37.1 | 178.2 | -59.9 | -49.2 | 137.9 | 0 | 0 | 110.9 | K175 D201 G404 A409 A410 | K175-E406 VanDerWaalsContact NZ-CD 3.26Å; K175-E406 IonicContact NZ-OE1 3.13Å; K175-E406 PolarHBondContact NZ-OE1 2.99Å; K175-E406 IonicContact NZ-OE2 2.65Å; K175-E406 PolarHBondContact NZ-OE2 2.8Å; D201-E406 WeakPolarHBondContact OD1-CG 3.34Å; D201-E406 PolarHBondContact OD1-N 3.45Å; G404-E406 VanDerWaalsContact C-N 3.29Å; G404-E406 PolarHBondContact O-N 3.34Å; E406-A409 PolarHBondContact O-N 3.46Å; E406-A410 VanDerWaalsContact O-CB 3.32Å; E406-A410 WeakPolarHBondContact O-CB 3.31Å; E406-A410 PolarHBondContact O-N 3.45Å |
| 407 | F | 98.1 | Very high | 97.7 | Very high | 20 Ų | 20 | 19.4 Ų | 19.4 | 9% | 0.088 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 172.8 | -166.2 | -83.1 | 0 | 0 | 0 | 111.6 | L339 I340 N396 F397 G399 S400 F403 G404 A410 | L339-F407 HydrophobicContact CD1-CD2 3.92Å; L339-F407 HydrophobicContact CD1-CE2 3.99Å; L339-F407 HydrophobicContact CD2-CD2 4.28Å; L339-F407 HydrophobicContact CD2-CE2 3.72Å; L339-F407 HydrophobicContact CD2-CZ 4.24Å; L339-F407 HydrophobicContact CG-CD2 4.34Å; L339-F407 HydrophobicContact CG-CE2 3.89Å; I340-F407 WeakPolarHBondContact O-CE2 3.1Å; N396-F407 VanDerWaalsContact O-CZ 3.29Å; N396-F407 WeakPolarHBondContact O-CZ 3.18Å; F397-F407 WeakPolarHBondContact O-CE1 3.32Å; G399-F407 PolarHBondContact N-O 3.08Å; S400-F407 WeakPolarHBondContact O-CD1 3.49Å; F403-F407 HydrophobicContact CB-CB 3.81Å; F403-F407 HydrophobicContact CB-CD1 3.84Å; F403-F407 HydrophobicContact CB-CD2 4.11Å; F403-F407 HydrophobicContact CB-CE1 4.46Å; F403-F407 HydrophobicContact CB-CG 3.64Å; F403-F407 AromaticContact CD2-CD1 3.99Å; F403-F407 HydrophobicContact CD2-CD1 3.99Å; F403-F407 AromaticContact CD2-CE1 3.96Å; F403-F407 HydrophobicContact CD2-CE1 3.96Å; F403-F407 HydrophobicContact CG-CD1 4.27Å; F403-F407 HydrophobicContact CG-CE1 4.45Å; F403-F407 HydrophobicContact CG-CG 4.43Å; G404-F407 PolarHBondContact O-N 3.37Å; F407-A410 PolarHBondContact O-N 3.18Å |
| 408 | L | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 174 | 179.7 | 68.4 | 0 | 0 | 0 | 111.9 | M178 T179 N371 G399 T401 G404 A410 G411 F412 | M178-L408 HydrophobicContact CB-CD2 4.21Å; T179-L408 HydrophobicContact CG2-CD2 3.59Å; N371-L408 HydrophobicContact CB-CD1 3.96Å; N371-L408 WeakPolarHBondContact ND2-CD1 3.47Å; G399-L408 WeakPolarHBondContact CA-O 3.45Å; G399-L408 WeakPolarHBondContact O-CD1 3.43Å; T401-L408 HydrophobicContact CG2-CD1 4.11Å; G404-L408 PolarHBondContact O-N 3.03Å; L408-A410 VanDerWaalsContact C-N 3.29Å; L408-A410 PolarHBondContact O-N 3.04Å; L408-G411 PolarHBondContact O-N 2.86Å; L408-F412 HydrophobicContact CG-CE1 4.32Å; L408-F412 HydrophobicContact CG-CZ 4.33Å |
| 409 | A | 98.1 | Very high | 97.7 | Very high | 21 Ų | 21 | 24 Ų | 24 | 17% | 0.174 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.2 | -25.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K175 K405 E406 G411 F412 | K175-A409 HydrophobicContact CB-CB 3.79Å; K175-A409 HydrophobicContact CD-CB 3.72Å; K175-A409 HydrophobicContact CG-CB 4.42Å; K405-A409 WeakPolarHBondContact O-CB 3.36Å; K405-A409 PolarHBondContact O-N 3.39Å; E406-A409 PolarHBondContact O-N 3.46Å; A409-G411 PolarHBondContact O-N 2.93Å; A409-G411 VanDerWaalsContact O-N 3.11Å; A409-F412 HydrophobicContact CB-CD2 4.12Å; A409-F412 HydrophobicContact CB-CE2 4.11Å; A409-F412 WeakPolarHBondContact O-CB 3.4Å; A409-F412 WeakPolarHBondContact O-CG 3.22Å; A409-F412 PolarHBondContact O-N 3.46Å |
| 410 | A | 98.3 | Very high | 97.7 | Very high | 25 Ų | 25 | 24.2 Ų | 24.2 | 21% | 0.207 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | R398 E406 F407 L408 | R398-A410 HydrophobicContact CB-CB 4Å; R398-A410 WeakPolarHBondContact CD-O 3.24Å; E406-A410 VanDerWaalsContact O-CB 3.32Å; E406-A410 WeakPolarHBondContact O-CB 3.31Å; E406-A410 PolarHBondContact O-N 3.45Å; F407-A410 PolarHBondContact O-N 3.18Å; L408-A410 VanDerWaalsContact C-N 3.29Å; L408-A410 PolarHBondContact O-N 3.04Å |
| 411 | G | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -5.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L408 A409 G413 E414 | L408-G411 PolarHBondContact O-N 2.86Å; A409-G411 PolarHBondContact O-N 2.93Å; A409-G411 VanDerWaalsContact O-N 3.11Å; G411-G413 PolarHBondContact O-N 3.15Å; G411-E414 PolarHBondContact O-N 2.89Å |
| 412 | F | 98 | Very high | 97.7 | Very high | 36 Ų | 36 | 24.2 Ų | 24.2 | 16% | 0.158 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 124.8 | -178.8 | -65.3 | -8.1 | 0 | 0 | 0 | 110.8 | A174 K175 M178 L408 A409 E414 V496 R497 | A174-F412 HydrophobicContact CB-CE2 4.4Å; K175-F412 HydrophobicContact CB-CE2 3.82Å; K175-F412 HydrophobicContact CB-CZ 4.29Å; M178-F412 HydrophobicContact SD-CE1 4.24Å; M178-F412 HydrophobicContact SD-CZ 3.85Å; L408-F412 HydrophobicContact CG-CE1 4.32Å; L408-F412 HydrophobicContact CG-CZ 4.33Å; A409-F412 HydrophobicContact CB-CD2 4.12Å; A409-F412 HydrophobicContact CB-CE2 4.11Å; A409-F412 WeakPolarHBondContact O-CB 3.4Å; A409-F412 WeakPolarHBondContact O-CG 3.22Å; A409-F412 PolarHBondContact O-N 3.46Å; F412-E414 VanDerWaalsContact C-N 3.26Å; F412-E414 PolarHBondContact O-N 2.94Å; F412-V496 HydrophobicContact CD2-CG1 3.63Å; F412-V496 HydrophobicContact CE2-CG1 4.02Å; F412-V496 HydrophobicContact CG-CG1 4.28Å; F412-R497 HydrophobicContact CD1-CG 4.08Å; F412-R497 HydrophobicContact CE1-CG 3.9Å; F412-R497 HydrophobicContact CZ-CG 4.48Å |
| 413 | G | 97.5 | Very high | 97.8 | Very high | 18 Ų | 18 | 23.9 Ų | 23.9 | 19% | 0.186 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 9.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | G411 R497 | G411-G413 PolarHBondContact O-N 3.15Å; G413-R497 PolarHBondContact N-O 3.22Å |
| 414 | E | 98.2 | Very high | 97.8 | Very high | 39 Ų | 39 | 23.4 Ų | 23.4 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | trans | -110.4 | 17.6 | -170.5 | -66.1 | -72.3 | 178.8 | 0 | 0 | 113.7 | G411 F412 G416 G417 R418 M419 | G411-E414 PolarHBondContact O-N 2.89Å; F412-E414 VanDerWaalsContact C-N 3.26Å; F412-E414 PolarHBondContact O-N 2.94Å; E414-G416 PolarHBondContact O-N 2.86Å; E414-G417 CarbonylContact O-C 3.49Å; E414-G417 WeakPolarHBondContact O-CA 3.46Å; E414-G417 PolarHBondContact O-N 2.82Å; E414-R418 VanDerWaalsContact CD-NE 3.31Å; E414-R418 IonicContact OE1-CZ 3.93Å; E414-R418 VanDerWaalsContact OE1-CZ 3.22Å; E414-R418 IonicContact OE1-NE 2.73Å; E414-R418 PolarHBondContact OE1-NE 2.77Å; E414-R418 IonicContact OE1-NH2 2.79Å; E414-R418 PolarHBondContact OE1-NH2 3.12Å; E414-R418 WeakPolarHBondContact OE2-CB 3.29Å; E414-R418 WeakPolarHBondContact OE2-CG 3.44Å; E414-R418 PolarHBondContact OE2-N 2.96Å; E414-R418 IonicContact OE2-NE 3.33Å; E414-M419 HydrophobicContact CB-CG 3.7Å; E414-M419 HydrophobicContact CB-SD 4.03Å; E414-M419 WeakPolarHBondContact O-CB 3.41Å | ||
| 415 | W | 97.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 119.6 | 171.8 | -76.9 | 47.3 | 0 | 0 | 0 | 110 | P370 G417 Y448 F451 P473 L476 F498 | P370-W415 VanDerWaalsContact CD-CZ2 3.41Å; P370-W415 HydrophobicContact CG-CZ2 4.13Å; W415-G417 PolarHBondContact O-N 3.17Å; W415-Y448 AromaticContact CD1-CE2 3.99Å; W415-Y448 AromaticContact CD2-CD2 3.64Å; W415-Y448 HydrophobicContact CD2-CD2 3.64Å; W415-Y448 AromaticContact CD2-CE2 3.61Å; W415-Y448 HydrophobicContact CD2-CE2 3.61Å; W415-Y448 AromaticContact CE2-CD2 3.49Å; W415-Y448 VanDerWaalsContact CE2-CD2 3.49Å; W415-Y448 AromaticContact CE2-CE2 3.74Å; W415-Y448 AromaticContact CE3-CD2 3.8Å; W415-Y448 HydrophobicContact CE3-CD2 3.8Å; W415-Y448 HydrophobicContact CE3-CE2 4.03Å; W415-Y448 HydrophobicContact CG-CD2 4.35Å; W415-Y448 AromaticContact CG-CE2 3.84Å; W415-Y448 HydrophobicContact CG-CE2 3.84Å; W415-Y448 AromaticContact CH2-CD2 3.77Å; W415-Y448 HydrophobicContact CH2-CD2 3.77Å; W415-Y448 AromaticContact CZ2-CD2 3.6Å; W415-Y448 HydrophobicContact CZ2-CD2 3.6Å; W415-Y448 HydrophobicContact CZ2-CE2 4.33Å; W415-Y448 AromaticContact CZ3-CD2 3.85Å; W415-Y448 HydrophobicContact CZ3-CD2 3.85Å; W415-Y448 AromaticContact NE1-CE2 3.93Å; W415-F451 HydrophobicContact CB-CE1 3.94Å; W415-F451 HydrophobicContact CB-CZ 3.86Å; W415-F451 HydrophobicContact CD2-CD1 4.49Å; W415-F451 HydrophobicContact CD2-CE1 4.45Å; W415-F451 HydrophobicContact CE3-CB 4.43Å; W415-F451 AromaticContact CE3-CD1 3.77Å; W415-F451 HydrophobicContact CE3-CD1 3.77Å; W415-F451 AromaticContact CE3-CD2 3.84Å; W415-F451 HydrophobicContact CE3-CD2 3.84Å; W415-F451 AromaticContact CE3-CE1 3.97Å; W415-F451 HydrophobicContact CE3-CE1 3.97Å; W415-F451 AromaticContact CE3-CE2 4Å; W415-F451 HydrophobicContact CE3-CE2 4Å; W415-F451 AromaticContact CE3-CG 3.74Å; W415-F451 HydrophobicContact CE3-CG 3.74Å; W415-F451 HydrophobicContact CE3-CZ 4.09Å; W415-F451 HydrophobicContact CG-CE1 4.47Å; W415-F451 HydrophobicContact CZ3-CB 4.19Å; W415-F451 HydrophobicContact CZ3-CD1 4.35Å; W415-F451 HydrophobicContact CZ3-CD2 4.19Å; W415-F451 AromaticContact CZ3-CG 3.99Å; W415-F451 HydrophobicContact CZ3-CG 3.99Å; W415-P473 HydrophobicContact CZ3-CB 4.24Å; W415-P473 HydrophobicContact CZ3-CG 4.22Å; W415-L476 HydrophobicContact CB-CD1 4.32Å; W415-L476 HydrophobicContact CE3-CD1 4.15Å; W415-L476 HydrophobicContact CE3-CD2 3.84Å; W415-L476 HydrophobicContact CZ3-CD2 3.9Å; W415-F498 HydrophobicContact CE3-CE1 4.4Å; W415-F498 HydrophobicContact CH2-CE1 4.27Å; W415-F498 AromaticContact CH2-CZ 3.9Å; W415-F498 HydrophobicContact CH2-CZ 3.9Å; W415-F498 HydrophobicContact CZ2-CE1 4.42Å; W415-F498 HydrophobicContact CZ2-CE2 4.32Å; W415-F498 AromaticContact CZ2-CZ 3.98Å; W415-F498 HydrophobicContact CZ2-CZ 3.98Å; W415-F498 HydrophobicContact CZ3-CE1 4.26Å; W415-F498 HydrophobicContact CZ3-CZ 4.33Å |
| 416 | G | 95.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -5.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E414 Y455 | E414-G416 PolarHBondContact O-N 2.86Å; G416-Y455 VanDerWaalsContact CA-CE2 3.47Å; G416-Y455 WeakPolarHBondContact O-CE1 3.47Å; G416-Y455 PolarHBondContact O-OH 3.34Å |
| 417 | G | 97 | Very high | 97.6 | Very high | 26 Ų | 26 | 20.1 Ų | 20.1 | 27% | 0.268 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -129.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E414 W415 M419 Q420 D421 | E414-G417 CarbonylContact O-C 3.49Å; E414-G417 WeakPolarHBondContact O-CA 3.46Å; E414-G417 PolarHBondContact O-N 2.82Å; W415-G417 PolarHBondContact O-N 3.17Å; G417-M419 PolarHBondContact O-N 3.17Å; G417-Q420 WeakPolarHBondContact O-CB 3.21Å; G417-Q420 PolarHBondContact O-N 3.05Å; G417-D421 PolarHBondContact O-N 3.22Å |
| 418 | R | 98.2 | Very high | 97.4 | Very high | 104 Ų | 104 | 21 Ų | 21 | 39% | 0.392 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.7 | -24.5 | -174.3 | -66 | -176.8 | -68.3 | 158.6 | -1.7 | 113.8 | D337 E414 Q420 D421 D422 | D337-R418 IonicContact OD2-NH1 2.66Å; E414-R418 VanDerWaalsContact CD-NE 3.31Å; E414-R418 IonicContact OE1-CZ 3.93Å; E414-R418 VanDerWaalsContact OE1-CZ 3.22Å; E414-R418 IonicContact OE1-NE 2.73Å; E414-R418 PolarHBondContact OE1-NE 2.77Å; E414-R418 IonicContact OE1-NH2 2.79Å; E414-R418 PolarHBondContact OE1-NH2 3.12Å; E414-R418 WeakPolarHBondContact OE2-CB 3.29Å; E414-R418 WeakPolarHBondContact OE2-CG 3.44Å; E414-R418 PolarHBondContact OE2-N 2.96Å; E414-R418 IonicContact OE2-NE 3.33Å; R418-Q420 VanDerWaalsContact C-N 3.29Å; R418-Q420 PolarHBondContact O-N 2.96Å; R418-D421 WeakPolarHBondContact O-CB 3.36Å; R418-D421 PolarHBondContact O-N 3.22Å; R418-D422 VanDerWaalsContact O-CG 3.3Å; R418-D422 PolarHBondContact O-N 2.66Å |
| 419 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 172.3 | -62.2 | 172.6 | 75.6 | 0 | 0 | 112.1 | P370 F397 R398 E414 G417 D421 D422 I423 Y448 | P370-M419 HydrophobicContact CB-CE 3.38Å; P370-M419 HydrophobicContact CG-CE 3.76Å; F397-M419 HydrophobicContact CD2-CB 4.47Å; F397-M419 HydrophobicContact CD2-CE 3.66Å; F397-M419 HydrophobicContact CE2-CE 3.46Å; F397-M419 VanDerWaalsContact CE2-CE 3.46Å; R398-M419 HydrophobicContact CG-CB 4.4Å; R398-M419 HydrophobicContact CG-CG 3.62Å; R398-M419 WeakPolarHBondContact O-CE 3.46Å; R398-M419 WeakPolarHBondContact O-CG 3.39Å; E414-M419 HydrophobicContact CB-CG 3.7Å; E414-M419 HydrophobicContact CB-SD 4.03Å; E414-M419 WeakPolarHBondContact O-CB 3.41Å; G417-M419 PolarHBondContact O-N 3.17Å; M419-D421 VanDerWaalsContact C-N 3.32Å; M419-D422 PolarHBondContact O-N 3.16Å; M419-I423 WeakPolarHBondContact O-CG1 3.49Å; M419-I423 PolarHBondContact O-N 3.11Å; M419-Y448 WeakPolarHBondContact CB-OH 3.17Å; M419-Y448 HydrophobicContact CE-CE1 3.97Å; M419-Y448 HydrophobicContact CE-CE2 3.84Å; M419-Y448 WeakPolarHBondContact CE-OH 3.36Å; M419-Y448 HydrophobicContact SD-CE2 4.37Å |
| 420 | Q | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.4 | -32.9 | 174.8 | -172.7 | 66.4 | 55.6 | 0 | 0 | 111.5 | G417 R418 I423 N424 A452 Y455 | G417-Q420 WeakPolarHBondContact O-CB 3.21Å; G417-Q420 PolarHBondContact O-N 3.05Å; R418-Q420 VanDerWaalsContact C-N 3.29Å; R418-Q420 PolarHBondContact O-N 2.96Å; Q420-I423 PolarHBondContact O-N 2.86Å; Q420-N424 WeakPolarHBondContact O-CB 3.48Å; Q420-N424 VanDerWaalsContact O-CG 3.22Å; Q420-N424 PolarHBondContact O-N 2.83Å; Q420-N424 PolarHBondContact O-ND2 2.87Å; Q420-A452 PolarHBondContact OE1-O 2.91Å; Q420-Y455 HydrophobicContact CB-CD1 4.2Å; Q420-Y455 HydrophobicContact CB-CE1 4.25Å; Q420-Y455 HydrophobicContact CG-CD1 3.64Å; Q420-Y455 HydrophobicContact CG-CE1 3.93Å |
| 421 | D | 98.3 | Very high | 97 | Very high | 48 Ų | 48 | 22 Ų | 22 | 26% | 0.257 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -63 | -43.2 | 173 | -77.4 | -30.7 | 0 | 0 | 0 | 111.6 | R336 G417 R418 M419 I423 N424 D425 | R336-D421 IonicContact CZ-OD1 3.66Å; R336-D421 IonicContact CZ-OD2 3.3Å; R336-D421 IonicContact NH1-OD1 3.72Å; R336-D421 PolarHBondContact NH1-OD1 2.77Å; R336-D421 IonicContact NH1-OD2 2.7Å; R336-D421 PolarHBondContact NH1-OD2 3.13Å; R336-D421 IonicContact NH2-OD1 3.33Å; R336-D421 PolarHBondContact NH2-OD1 2.98Å; G417-D421 PolarHBondContact O-N 3.22Å; R418-D421 WeakPolarHBondContact O-CB 3.36Å; R418-D421 PolarHBondContact O-N 3.22Å; M419-D421 VanDerWaalsContact C-N 3.32Å; D421-I423 VanDerWaalsContact C-N 3.34Å; D421-I423 PolarHBondContact O-N 2.75Å; D421-N424 CarbonylContact O-C 3.54Å; D421-N424 WeakPolarHBondContact O-CB 3.34Å; D421-N424 PolarHBondContact O-N 3.5Å; D421-N424 VanDerWaalsContact O-N 3.12Å; D421-D425 WeakPolarHBondContact O-CB 3.46Å; D421-D425 PolarHBondContact O-N 3.21Å |
| 422 | D | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | 174.7 | -64 | -6.9 | 0 | 0 | 0 | 111.7 | T335 Q341 F397 R398 R418 M419 N424 D425 A426 | T335-D422 HydrophobicContact CG2-CB 4.1Å; T335-D422 WeakPolarHBondContact CG2-OD1 3.2Å; Q341-D422 PolarHBondContact NE2-O 2.73Å; F397-D422 HydrophobicContact CB-CB 3.66Å; R398-D422 WeakPolarHBondContact CB-OD2 3.4Å; R398-D422 WeakPolarHBondContact CG-OD2 3.49Å; R398-D422 IonicContact CZ-OD1 3.22Å; R398-D422 VanDerWaalsContact CZ-OD1 3.27Å; R398-D422 IonicContact CZ-OD2 3.75Å; R398-D422 PolarHBondContact N-OD2 3.49Å; R398-D422 VanDerWaalsContact NE-CG 3.27Å; R398-D422 IonicContact NE-OD1 2.83Å; R398-D422 PolarHBondContact NE-OD1 3.13Å; R398-D422 VanDerWaalsContact NE-OD1 3.08Å; R398-D422 IonicContact NE-OD2 3.54Å; R398-D422 PolarHBondContact NE-OD2 3.27Å; R398-D422 IonicContact NH2-OD1 2.75Å; R398-D422 PolarHBondContact NH2-OD1 3.12Å; R398-D422 IonicContact NH2-OD2 2.66Å; R418-D422 VanDerWaalsContact O-CG 3.3Å; R418-D422 PolarHBondContact O-N 2.66Å; M419-D422 PolarHBondContact O-N 3.16Å; D422-N424 VanDerWaalsContact C-N 3.26Å; D422-N424 PolarHBondContact O-N 2.82Å; D422-D425 PolarHBondContact O-N 2.75Å; D422-A426 WeakPolarHBondContact O-CB 3.12Å; D422-A426 PolarHBondContact O-N 3.16Å |
| 423 | I | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58 | -42.2 | 177.6 | -69.7 | 168.8 | 0 | 0 | 0 | 111 | N364 I366 F397 M419 Q420 D421 F427 I443 A452 | N364-I423 WeakPolarHBondContact ND2-CG2 3.46Å; N364-I423 PolarHBondContact ND2-O 3.44Å; N364-I423 VanDerWaalsContact ND2-O 3.1Å; I366-I423 HydrophobicContact CD1-CB 4.41Å; I366-I423 HydrophobicContact CD1-CD1 4.23Å; I366-I423 HydrophobicContact CD1-CG1 4.11Å; I366-I423 HydrophobicContact CD1-CG2 3.5Å; I366-I423 VanDerWaalsContact CD1-CG2 3.5Å; I366-I423 HydrophobicContact CG1-CD1 4.39Å; I366-I423 HydrophobicContact CG1-CG2 4.28Å; I366-I423 HydrophobicContact CG2-CD1 3.71Å; I366-I423 HydrophobicContact CG2-CG1 4.45Å; F397-I423 HydrophobicContact CB-CG1 4.4Å; F397-I423 HydrophobicContact CD1-CD1 4.16Å; F397-I423 HydrophobicContact CD1-CG1 3.86Å; F397-I423 HydrophobicContact CE1-CD1 4.39Å; F397-I423 HydrophobicContact CG-CG1 4.22Å; M419-I423 WeakPolarHBondContact O-CG1 3.49Å; M419-I423 PolarHBondContact O-N 3.11Å; Q420-I423 PolarHBondContact O-N 2.86Å; D421-I423 VanDerWaalsContact C-N 3.34Å; D421-I423 PolarHBondContact O-N 2.75Å; I423-F427 PolarHBondContact O-N 3.29Å; I423-I443 HydrophobicContact CG2-CD1 4.18Å; I423-A452 HydrophobicContact CD1-CB 3.79Å |
| 424 | N | 96.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.1 | -34.6 | 179 | -73.1 | -29.5 | 0 | 0 | 0 | 113 | Q420 D421 D422 F427 A428 K463 Y464 | Q420-N424 WeakPolarHBondContact O-CB 3.48Å; Q420-N424 VanDerWaalsContact O-CG 3.22Å; Q420-N424 PolarHBondContact O-N 2.83Å; Q420-N424 PolarHBondContact O-ND2 2.87Å; D421-N424 CarbonylContact O-C 3.54Å; D421-N424 WeakPolarHBondContact O-CB 3.34Å; D421-N424 PolarHBondContact O-N 3.5Å; D421-N424 VanDerWaalsContact O-N 3.12Å; D422-N424 VanDerWaalsContact C-N 3.26Å; D422-N424 PolarHBondContact O-N 2.82Å; N424-F427 PolarHBondContact O-N 2.85Å; N424-A428 WeakPolarHBondContact O-CB 3.14Å; N424-A428 PolarHBondContact O-N 2.78Å; N424-K463 HydrophobicContact CB-CD 4.38Å; N424-K463 VanDerWaalsContact CG-NZ 3.34Å; N424-K463 PolarHBondContact ND2-NZ 3.33Å; N424-K463 VanDerWaalsContact ND2-NZ 3.15Å; N424-Y464 PolarHBondContact OD1-OH 2.86Å |
| 425 | D | 97.8 | Very high | 96 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.4 | -38.9 | 179.7 | -69.1 | -9.9 | 0 | 0 | 0 | 110.5 | R336 D421 D422 F427 A428 W429 | R336-D425 WeakPolarHBondContact CB-OD2 3.46Å; R336-D425 WeakPolarHBondContact CG-OD2 3.28Å; R336-D425 IonicContact CZ-OD1 3.67Å; R336-D425 VanDerWaalsContact CZ-OD1 3.28Å; R336-D425 PolarHBondContact N-OD2 3.07Å; R336-D425 IonicContact NE-OD1 3.82Å; R336-D425 PolarHBondContact NE-OD1 2.81Å; R336-D425 IonicContact NE-OD2 3.54Å; R336-D425 PolarHBondContact NE-OD2 2.85Å; R336-D425 IonicContact NH2-OD1 3.43Å; R336-D425 PolarHBondContact NH2-OD1 2.66Å; R336-D425 IonicContact NH2-OD2 2.78Å; D421-D425 WeakPolarHBondContact O-CB 3.46Å; D421-D425 PolarHBondContact O-N 3.21Å; D422-D425 PolarHBondContact O-N 2.75Å; D425-F427 VanDerWaalsContact C-N 3.28Å; D425-F427 PolarHBondContact O-N 2.85Å; D425-A428 PolarHBondContact O-N 3.12Å; D425-W429 WeakPolarHBondContact O-CB 3.47Å; D425-W429 PolarHBondContact O-N 2.93Å |
| 426 | A | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.4 | -47 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L393 C395 D422 W429 A430 | L393-A426 HydrophobicContact CD2-CB 4.06Å; C395-A426 HydrophobicContact CB-CB 4.21Å; C395-A426 WeakPolarHBondContact SG-CB 3.33Å; D422-A426 WeakPolarHBondContact O-CB 3.12Å; D422-A426 PolarHBondContact O-N 3.16Å; A426-W429 PolarHBondContact O-N 3.45Å; A426-A430 PolarHBondContact O-N 2.84Å; A426-A430 VanDerWaalsContact O-N 3.15Å |
| 427 | F | 92.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 35.7 Ų | 35.7 | 11% | 0.105 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -48.9 | 177.1 | 170 | -99.4 | 0 | 0 | 0 | 111.8 | I423 N424 D425 W429 A430 A431 V436 M441 Y464 | I423-F427 PolarHBondContact O-N 3.29Å; N424-F427 PolarHBondContact O-N 2.85Å; D425-F427 VanDerWaalsContact C-N 3.28Å; D425-F427 PolarHBondContact O-N 2.85Å; F427-W429 VanDerWaalsContact C-N 3.27Å; F427-W429 PolarHBondContact O-N 3.24Å; F427-A430 PolarHBondContact O-N 2.99Å; F427-A430 VanDerWaalsContact O-N 3.12Å; F427-A431 HydrophobicContact CE2-CB 4.41Å; F427-A431 HydrophobicContact CZ-CB 3.83Å; F427-A431 PolarHBondContact O-N 3.03Å; F427-A431 VanDerWaalsContact O-N 3.13Å; F427-V436 HydrophobicContact CE2-CG2 3.87Å; F427-M441 HydrophobicContact CD1-CE 3.87Å; F427-M441 HydrophobicContact CD2-CB 4.37Å; F427-M441 HydrophobicContact CD2-CE 4.11Å; F427-M441 HydrophobicContact CD2-CG 3.77Å; F427-M441 HydrophobicContact CD2-SD 4.18Å; F427-M441 HydrophobicContact CE1-CE 3.07Å; F427-M441 HydrophobicContact CE1-SD 3.86Å; F427-M441 HydrophobicContact CE2-CB 4.12Å; F427-M441 HydrophobicContact CE2-CE 3.43Å; F427-M441 VanDerWaalsContact CE2-CE 3.43Å; F427-M441 HydrophobicContact CE2-CG 3.13Å; F427-M441 HydrophobicContact CE2-SD 3.13Å; F427-M441 WeakPolarHBondContact CE2-SD 3.39Å; F427-M441 HydrophobicContact CG-CE 4.36Å; F427-M441 HydrophobicContact CZ-CE 2.88Å; F427-M441 HydrophobicContact CZ-CG 3.69Å; F427-M441 HydrophobicContact CZ-SD 2.96Å; F427-M441 WeakPolarHBondContact CZ-SD 3.36Å; F427-Y464 HydrophobicContact CG-CE1 4.42Å |
| 428 | A | 95.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 31% | 0.314 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.9 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N424 D425 A431 N432 | N424-A428 WeakPolarHBondContact O-CB 3.14Å; N424-A428 PolarHBondContact O-N 2.78Å; D425-A428 PolarHBondContact O-N 3.12Å; A428-A431 PolarHBondContact O-N 3.47Å; A428-N432 WeakPolarHBondContact O-CB 3.32Å; A428-N432 PolarHBondContact O-N 3.05Å; A428-N432 PolarHBondContact O-ND2 2.97Å |
| 429 | W | 97 | Very high | 95.3 | Very high | 52 Ų | 52 | 38 Ų | 38 | 20% | 0.197 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 174.3 | 176.5 | 94.9 | 0 | 0 | 0 | 111.9 | V331 V333 D425 A426 F427 A431 N432 N433 L435 | V331-W429 HydrophobicContact CB-CH2 3.92Å; V331-W429 HydrophobicContact CB-CZ2 4.36Å; V331-W429 HydrophobicContact CG1-CH2 4Å; V331-W429 HydrophobicContact CG2-CH2 3.7Å; V331-W429 HydrophobicContact CG2-CZ2 4.43Å; V331-W429 HydrophobicContact CG2-CZ3 3.85Å; V333-W429 HydrophobicContact CB-CD2 4.45Å; V333-W429 HydrophobicContact CB-CG 4.34Å; V333-W429 HydrophobicContact CG1-CB 3.5Å; V333-W429 VanDerWaalsContact CG1-CB 3.5Å; V333-W429 HydrophobicContact CG1-CD2 4.06Å; V333-W429 HydrophobicContact CG1-CG 3.5Å; V333-W429 HydrophobicContact CG2-CD2 3.66Å; V333-W429 HydrophobicContact CG2-CE3 3.75Å; V333-W429 HydrophobicContact CG2-CG 4.06Å; V333-W429 HydrophobicContact CG2-CZ2 4.47Å; V333-W429 HydrophobicContact CG2-CZ3 4.24Å; D425-W429 WeakPolarHBondContact O-CB 3.47Å; D425-W429 PolarHBondContact O-N 2.93Å; A426-W429 PolarHBondContact O-N 3.45Å; F427-W429 VanDerWaalsContact C-N 3.27Å; F427-W429 PolarHBondContact O-N 3.24Å; W429-A431 VanDerWaalsContact C-N 3.33Å; W429-A431 PolarHBondContact O-N 3.03Å; W429-N432 PolarHBondContact O-N 2.69Å; W429-N433 PolarHBondContact NE1-ND2 3.42Å; W429-N433 WeakPolarHBondContact O-CB 3.33Å; W429-N433 PolarHBondContact O-N 2.97Å; W429-N433 PolarHBondContact O-ND2 3.39Å; W429-L435 HydrophobicContact CE3-CD1 4.46Å; W429-L435 HydrophobicContact CH2-CD1 3.76Å; W429-L435 HydrophobicContact CZ3-CD1 3.58Å |
| 430 | A | 94.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L393 A426 F427 R434 L435 V436 | L393-A430 HydrophobicContact CD2-CB 4.3Å; A426-A430 PolarHBondContact O-N 2.84Å; A426-A430 VanDerWaalsContact O-N 3.15Å; F427-A430 PolarHBondContact O-N 2.99Å; F427-A430 VanDerWaalsContact O-N 3.12Å; A430-R434 PolarHBondContact O-N 3.33Å; A430-L435 WeakPolarHBondContact O-CB 3.48Å; A430-L435 PolarHBondContact O-N 3.16Å; A430-V436 HydrophobicContact CB-CG2 3.91Å |
| 431 | A | 93.7 | Very high | 95.1 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -46.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F427 A428 W429 N433 R434 V436 | F427-A431 HydrophobicContact CE2-CB 4.41Å; F427-A431 HydrophobicContact CZ-CB 3.83Å; F427-A431 PolarHBondContact O-N 3.03Å; F427-A431 VanDerWaalsContact O-N 3.13Å; A428-A431 PolarHBondContact O-N 3.47Å; W429-A431 VanDerWaalsContact C-N 3.33Å; W429-A431 PolarHBondContact O-N 3.03Å; A431-N433 VanDerWaalsContact C-N 3.26Å; A431-N433 PolarHBondContact O-N 3.46Å; A431-R434 WeakPolarHBondContact O-CA 3.18Å; A431-R434 PolarHBondContact O-N 3.04Å; A431-V436 HydrophobicContact CB-CG2 4.28Å |
| 432 | N | 94.7 | Very high | 95.1 | Very high | 131 Ų | 131 | 39.1 Ų | 39.1 | 70% | 0.701 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -63.5 | -31.4 | 179.9 | -72.2 | -20.6 | 0 | 0 | 0 | 112.8 | A428 W429 R434 | A428-N432 WeakPolarHBondContact O-CB 3.32Å; A428-N432 PolarHBondContact O-N 3.05Å; A428-N432 PolarHBondContact O-ND2 2.97Å; W429-N432 PolarHBondContact O-N 2.69Å; N432-R434 PolarHBondContact O-N 2.97Å |
| 433 | N | 93 | Very high | 95.1 | Very high | 83 Ų | 83 | 39.1 Ų | 39.1 | 44% | 0.444 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 8.9 | 174.1 | -74.6 | -85.6 | 0 | 0 | 0 | 113.3 | W429 A431 L435 | W429-N433 PolarHBondContact NE1-ND2 3.42Å; W429-N433 WeakPolarHBondContact O-CB 3.33Å; W429-N433 PolarHBondContact O-N 2.97Å; W429-N433 PolarHBondContact O-ND2 3.39Å; A431-N433 VanDerWaalsContact C-N 3.26Å; A431-N433 PolarHBondContact O-N 3.46Å; N433-L435 HydrophobicContact CB-CD1 3.86Å; N433-L435 HydrophobicContact CB-CG 3.98Å; N433-L435 PolarHBondContact O-N 2.8Å |
| 434 | R | 91.9 | Very high | 95.1 | Very high | 127 Ų | 127 | 39.2 Ų | 39.2 | 48% | 0.479 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 38.7 | 179.4 | -50.9 | -172.4 | 68.7 | 178 | -2.6 | 112.5 | D356 L359 A430 A431 N432 | D356-R434 VanDerWaalsContact CB-NH2 3.28Å; D356-R434 IonicContact OD1-CZ 2.94Å; D356-R434 IonicContact OD1-NE 3.64Å; D356-R434 PolarHBondContact OD1-NE 2.65Å; D356-R434 IonicContact OD1-NH1 2.69Å; D356-R434 IonicContact OD1-NH2 3.2Å; D356-R434 PolarHBondContact OD1-NH2 2.83Å; D356-R434 IonicContact OD2-CZ 2.79Å; D356-R434 IonicContact OD2-NE 3.86Å; D356-R434 IonicContact OD2-NH1 3.48Å; D356-R434 PolarHBondContact OD2-NH1 2.69Å; D356-R434 IonicContact OD2-NH2 3.34Å; D356-R434 PolarHBondContact OD2-NH2 2.82Å; L359-R434 HydrophobicContact CD1-CB 4.13Å; L359-R434 HydrophobicContact CD2-CB 4.25Å; L359-R434 WeakPolarHBondContact CD2-O 3.49Å; A430-R434 PolarHBondContact O-N 3.33Å; A431-R434 WeakPolarHBondContact O-CA 3.18Å; A431-R434 PolarHBondContact O-N 3.04Å; N432-R434 PolarHBondContact O-N 2.97Å |
| 435 | L | 91.7 | Very high | 95.2 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 12% | 0.12 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -93 | -23.9 | 176.3 | -60.9 | 168.2 | 0 | 0 | 0 | 111.5 | L345 P360 W429 A430 N433 | L345-L435 HydrophobicContact CD2-CB 4.24Å; L345-L435 HydrophobicContact CD2-CD1 3.79Å; L345-L435 HydrophobicContact CD2-CD2 4.37Å; L345-L435 HydrophobicContact CD2-CG 4.35Å; P360-L435 WeakPolarHBondContact CG-O 3.5Å; W429-L435 HydrophobicContact CE3-CD1 4.46Å; W429-L435 HydrophobicContact CH2-CD1 3.76Å; W429-L435 HydrophobicContact CZ3-CD1 3.58Å; A430-L435 WeakPolarHBondContact O-CB 3.48Å; A430-L435 PolarHBondContact O-N 3.16Å; N433-L435 HydrophobicContact CB-CD1 3.86Å; N433-L435 HydrophobicContact CB-CG 3.98Å; N433-L435 PolarHBondContact O-N 2.8Å |
| 436 | V | 93.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -141.8 | 152.5 | 179.8 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | L359 P360 V391 F427 A430 A431 S438 | L359-V436 WeakPolarHBondContact CD1-O 3.38Å; P360-V436 CarbonylContact O-C 3.48Å; P360-V436 WeakPolarHBondContact O-CA 3.39Å; V391-V436 HydrophobicContact CB-CG1 3.55Å; V391-V436 HydrophobicContact CG1-CG1 3.58Å; V391-V436 HydrophobicContact CG2-CG1 4.1Å; F427-V436 HydrophobicContact CE2-CG2 3.87Å; A430-V436 HydrophobicContact CB-CG2 3.91Å; A431-V436 HydrophobicContact CB-CG2 4.28Å; V436-S438 PolarHBondContact O-N 3.21Å |
| 437 | D | 92.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | trans | -71.4 | 115.3 | 170.5 | 179.7 | -13.4 | 0 | 0 | 0 | 109.8 | L359 P360 N439 R440 | L359-D437 HydrophobicContact CB-CB 4.04Å; P360-D437 PolarHBondContact O-N 3.47Å; D437-N439 PolarHBondContact O-N 2.79Å; D437-N439 PolarHBondContact OD1-N 2.84Å; D437-R440 HydrophobicContact CB-CB 4.18Å; D437-R440 HydrophobicContact CB-CG 4.48Å; D437-R440 PolarHBondContact O-N 2.66Å; D437-R440 WeakPolarHBondContact OD2-CG 3.4Å; D437-R440 IonicContact OD2-CZ 3.69Å; D437-R440 IonicContact OD2-NE 2.66Å; D437-R440 PolarHBondContact OD2-NE 2.76Å; D437-R440 IonicContact OD2-NH2 3.76Å | ||
| 438 | S | 93.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 48% | 0.476 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.7 | -176.9 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | V436 M441 | V436-S438 PolarHBondContact O-N 3.21Å; S438-M441 VanDerWaalsContact CA-SD 3.57Å; S438-M441 VanDerWaalsContact O-CE 3.3Å; S438-M441 WeakPolarHBondContact O-CE 3.34Å |
| 439 | N | 94.2 | Very high | 95.6 | Very high | 112 Ų | 112 | 37.8 Ų | 37.8 | 60% | 0.599 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | -9.4 | 177 | -63.6 | -56.6 | 0 | 0 | 0 | 113 | D437 Q465 | D437-N439 PolarHBondContact O-N 2.79Å; D437-N439 PolarHBondContact OD1-N 2.84Å; N439-Q465 WeakPolarHBondContact O-CG 3.21Å; N439-Q465 PolarHBondContact O-NE2 3.27Å |
| 440 | R | 95.3 | Very high | 95.7 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 26% | 0.264 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -123.7 | 72.9 | -175.5 | -61.2 | -167.9 | -64.6 | 150.3 | -3.7 | 110.8 | L359 A361 G362 D437 L590 | L359-R440 PolarHBondContact O-NH2 2.82Å; A361-R440 CarbonylContact C-O 3.55Å; A361-R440 WeakPolarHBondContact CA-O 3.44Å; A361-R440 HydrophobicContact CB-CB 3.71Å; A361-R440 VanDerWaalsContact CB-O 3.25Å; A361-R440 WeakPolarHBondContact CB-O 3.39Å; G362-R440 PolarHBondContact N-O 2.66Å; D437-R440 HydrophobicContact CB-CB 4.18Å; D437-R440 HydrophobicContact CB-CG 4.48Å; D437-R440 PolarHBondContact O-N 2.66Å; D437-R440 WeakPolarHBondContact OD2-CG 3.4Å; D437-R440 IonicContact OD2-CZ 3.69Å; D437-R440 IonicContact OD2-NE 2.66Å; D437-R440 PolarHBondContact OD2-NE 2.76Å; D437-R440 IonicContact OD2-NH2 3.76Å; R440-L590 HydrophobicContact CB-CD2 4.16Å; R440-L590 PolarHBondContact NH1-O 3.38Å |
| 441 | M | 96.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.4 | 168.1 | -50.6 | 90.5 | 39.6 | 0 | 0 | 115.3 | G362 F427 S438 K463 Y464 Q465 | G362-M441 CarbonylContact O-C 3.3Å; G362-M441 WeakPolarHBondContact O-CA 3.17Å; G362-M441 WeakPolarHBondContact O-CB 3.5Å; F427-M441 HydrophobicContact CD1-CE 3.87Å; F427-M441 HydrophobicContact CD2-CB 4.37Å; F427-M441 HydrophobicContact CD2-CE 4.11Å; F427-M441 HydrophobicContact CD2-CG 3.77Å; F427-M441 HydrophobicContact CD2-SD 4.18Å; F427-M441 HydrophobicContact CE1-CE 3.07Å; F427-M441 HydrophobicContact CE1-SD 3.86Å; F427-M441 HydrophobicContact CE2-CB 4.12Å; F427-M441 HydrophobicContact CE2-CE 3.43Å; F427-M441 VanDerWaalsContact CE2-CE 3.43Å; F427-M441 HydrophobicContact CE2-CG 3.13Å; F427-M441 HydrophobicContact CE2-SD 3.13Å; F427-M441 WeakPolarHBondContact CE2-SD 3.39Å; F427-M441 HydrophobicContact CG-CE 4.36Å; F427-M441 HydrophobicContact CZ-CE 2.88Å; F427-M441 HydrophobicContact CZ-CG 3.69Å; F427-M441 HydrophobicContact CZ-SD 2.96Å; F427-M441 WeakPolarHBondContact CZ-SD 3.36Å; S438-M441 VanDerWaalsContact CA-SD 3.57Å; S438-M441 VanDerWaalsContact O-CE 3.3Å; S438-M441 WeakPolarHBondContact O-CE 3.34Å; M441-K463 WeakPolarHBondContact CE-O 3.29Å; M441-Y464 HydrophobicContact CB-CD1 4.22Å; M441-Y464 CarbonylContact O-C 3.59Å; M441-Q465 PolarHBondContact O-N 2.99Å |
| 442 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 166.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G362 I363 N364 C466 F586 L590 | G362-A442 PolarHBondContact O-N 3.4Å; I363-A442 HydrophobicContact CD1-CB 3.77Å; N364-A442 PolarHBondContact N-O 2.99Å; A442-C466 WeakPolarHBondContact CA-O 3.46Å; A442-C466 WeakPolarHBondContact CB-O 3.47Å; A442-C466 VanDerWaalsContact CB-SG 3.59Å; A442-F586 HydrophobicContact CB-CD1 3.96Å; A442-F586 HydrophobicContact CB-CE1 3.48Å; A442-F586 VanDerWaalsContact CB-CE1 3.48Å; A442-F586 HydrophobicContact CB-CZ 4.07Å; A442-L590 HydrophobicContact CB-CD1 3.93Å |
| 443 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.7 | 170.5 | -176.4 | 168.8 | 0 | 0 | 0 | 108.7 | N364 I366 I423 T453 A456 L457 Y464 C466 G467 V468 | N364-I443 WeakPolarHBondContact O-CA 3.43Å; I366-I443 HydrophobicContact CD1-CD1 4.43Å; I366-I443 HydrophobicContact CD1-CG1 4.46Å; I366-I443 HydrophobicContact CG1-CD1 4Å; I366-I443 HydrophobicContact CG1-CG1 3.93Å; I423-I443 HydrophobicContact CG2-CD1 4.18Å; I443-T453 HydrophobicContact CG2-CG2 3.91Å; I443-A456 HydrophobicContact CD1-CB 3.8Å; I443-A456 HydrophobicContact CG2-CB 4.4Å; I443-L457 HydrophobicContact CG2-CD2 4.48Å; I443-Y464 HydrophobicContact CB-CD1 3.74Å; I443-Y464 HydrophobicContact CB-CD2 4.2Å; I443-Y464 HydrophobicContact CB-CE1 3.75Å; I443-Y464 HydrophobicContact CB-CE2 4.23Å; I443-Y464 HydrophobicContact CB-CG 3.96Å; I443-Y464 HydrophobicContact CD1-CE2 4.05Å; I443-Y464 HydrophobicContact CG2-CD1 4.03Å; I443-Y464 HydrophobicContact CG2-CD2 3.85Å; I443-Y464 HydrophobicContact CG2-CE1 4.43Å; I443-Y464 HydrophobicContact CG2-CE2 4.28Å; I443-Y464 HydrophobicContact CG2-CG 3.72Å; I443-C466 PolarHBondContact N-O 3.15Å; I443-G467 CarbonylContact O-C 3.6Å; I443-G467 WeakPolarHBondContact O-CA 3.49Å; I443-V468 PolarHBondContact O-N 2.95Å |
| 444 | M | 98.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 155.2 | 173.3 | 64 | -179.8 | -75.7 | 0 | 0 | 112.5 | I363 N364 V365 I366 E381 L385 T453 V468 I582 F586 | I363-M444 HydrophobicContact CG2-CG 3.7Å; I363-M444 HydrophobicContact CG2-SD 3.73Å; N364-M444 PolarHBondContact O-N 3.4Å; V365-M444 WeakPolarHBondContact CA-O 3.23Å; V365-M444 HydrophobicContact CB-CG 4.33Å; V365-M444 HydrophobicContact CG2-CG 3.69Å; V365-M444 HydrophobicContact CG2-SD 3.98Å; I366-M444 PolarHBondContact N-O 3.03Å; E381-M444 HydrophobicContact CG-CE 4.3Å; E381-M444 WeakPolarHBondContact OE2-CE 3.48Å; L385-M444 HydrophobicContact CD1-SD 3.73Å; M444-T453 WeakPolarHBondContact CA-OG1 3.48Å; M444-V468 VanDerWaalsContact CA-O 3.25Å; M444-V468 WeakPolarHBondContact CA-O 3.43Å; M444-V468 HydrophobicContact CB-CB 3.68Å; M444-V468 HydrophobicContact CB-CG2 4.32Å; M444-I582 HydrophobicContact CE-CD1 4.25Å; M444-F586 HydrophobicContact CB-CZ 4.32Å; M444-F586 HydrophobicContact CG-CZ 4.47Å; M444-F586 HydrophobicContact SD-CE2 3.8Å; M444-F586 HydrophobicContact SD-CZ 3.89Å |
| 445 | G | 98.3 | Very high | 96.9 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 7% | 0.072 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | 171 | 168 | 0 | 0 | 0 | 0 | 0 | 113.2 | G450 T453 V468 E470 | G445-G450 VanDerWaalsContact C-N 3.3Å; G445-G450 WeakPolarHBondContact O-CA 3.33Å; G445-G450 PolarHBondContact O-N 2.89Å; G445-T453 PolarHBondContact N-OG1 3.05Å; G445-V468 PolarHBondContact N-O 3.46Å; G445-E470 PolarHBondContact O-N 2.89Å |
| 446 | A | 97.5 | Very high | 97.2 | Very high | 28 Ų | 28 | 18.7 Ų | 18.7 | 23% | 0.231 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 152.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | G368 Y448 G449 G450 E470 | G368-A446 WeakPolarHBondContact CA-O 3.5Å; A446-Y448 PolarHBondContact O-N 3.43Å; A446-G449 WeakPolarHBondContact O-CA 3.42Å; A446-G449 PolarHBondContact O-N 3.42Å; A446-G450 PolarHBondContact O-N 2.74Å; A446-E470 CarbonylContact C-O 3.54Å; A446-E470 VanDerWaalsContact CA-O 3.27Å; A446-E470 WeakPolarHBondContact CA-O 3.49Å; A446-E470 HydrophobicContact CB-CB 3.85Å; A446-E470 HydrophobicContact CB-CG 4.05Å; A446-E470 WeakPolarHBondContact CB-OE2 3.23Å |
| 447 | S | 97.5 | Very high | 97.4 | Very high | 24 Ų | 24 | 18.5 Ų | 18.5 | 17% | 0.168 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -122.6 | 176.7 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | G449 G450 F451 E470 C471 P473 H567 | S447-G449 PolarHBondContact O-N 2.98Å; S447-G450 CarbonylContact O-C 3.53Å; S447-G450 WeakPolarHBondContact O-CA 3.3Å; S447-G450 PolarHBondContact O-N 3.35Å; S447-F451 PolarHBondContact O-N 3.15Å; S447-E470 PolarHBondContact N-O 3.24Å; S447-C471 WeakPolarHBondContact CA-O 3.25Å; S447-P473 WeakPolarHBondContact O-CD 3.38Å; S447-H567 VanDerWaalsContact CB-NE2 3.27Å; S447-H567 WeakPolarHBondContact CB-NE2 3.22Å; S447-H567 PolarHBondContact OG-CE1 2.7Å; S447-H567 PolarHBondContact OG-NE2 3Å |
| 448 | Y | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -52.7 | -39 | 169.8 | 175.1 | -94.2 | 0 | 0 | 0 | 113.3 | I366 P370 F397 W415 M419 A446 G450 F451 A452 | I366-Y448 HydrophobicContact CG2-CE1 4.39Å; P370-Y448 HydrophobicContact CB-CD1 3.73Å; P370-Y448 HydrophobicContact CB-CD2 3.86Å; P370-Y448 HydrophobicContact CB-CE1 4Å; P370-Y448 HydrophobicContact CB-CE2 4.08Å; P370-Y448 HydrophobicContact CB-CG 3.67Å; P370-Y448 HydrophobicContact CG-CD2 4.05Å; P370-Y448 HydrophobicContact CG-CE2 4.3Å; P370-Y448 HydrophobicContact CG-CG 4.27Å; F397-Y448 HydrophobicContact CD2-CE1 4.31Å; F397-Y448 HydrophobicContact CE1-CE1 4.16Å; F397-Y448 HydrophobicContact CE2-CD1 4.02Å; F397-Y448 AromaticContact CE2-CE1 3.39Å; F397-Y448 HydrophobicContact CE2-CE1 3.39Å; F397-Y448 AromaticContact CZ-CD1 3.64Å; F397-Y448 HydrophobicContact CZ-CD1 3.64Å; F397-Y448 AromaticContact CZ-CE1 3.29Å; F397-Y448 HydrophobicContact CZ-CE1 3.29Å; W415-Y448 AromaticContact CD1-CE2 3.99Å; W415-Y448 AromaticContact CD2-CD2 3.64Å; W415-Y448 HydrophobicContact CD2-CD2 3.64Å; W415-Y448 AromaticContact CD2-CE2 3.61Å; W415-Y448 HydrophobicContact CD2-CE2 3.61Å; W415-Y448 AromaticContact CE2-CD2 3.49Å; W415-Y448 VanDerWaalsContact CE2-CD2 3.49Å; W415-Y448 AromaticContact CE2-CE2 3.74Å; W415-Y448 AromaticContact CE3-CD2 3.8Å; W415-Y448 HydrophobicContact CE3-CD2 3.8Å; W415-Y448 HydrophobicContact CE3-CE2 4.03Å; W415-Y448 HydrophobicContact CG-CD2 4.35Å; W415-Y448 AromaticContact CG-CE2 3.84Å; W415-Y448 HydrophobicContact CG-CE2 3.84Å; W415-Y448 AromaticContact CH2-CD2 3.77Å; W415-Y448 HydrophobicContact CH2-CD2 3.77Å; W415-Y448 AromaticContact CZ2-CD2 3.6Å; W415-Y448 HydrophobicContact CZ2-CD2 3.6Å; W415-Y448 HydrophobicContact CZ2-CE2 4.33Å; W415-Y448 AromaticContact CZ3-CD2 3.85Å; W415-Y448 HydrophobicContact CZ3-CD2 3.85Å; W415-Y448 AromaticContact NE1-CE2 3.93Å; M419-Y448 WeakPolarHBondContact CB-OH 3.17Å; M419-Y448 HydrophobicContact CE-CE1 3.97Å; M419-Y448 HydrophobicContact CE-CE2 3.84Å; M419-Y448 WeakPolarHBondContact CE-OH 3.36Å; M419-Y448 HydrophobicContact SD-CE2 4.37Å; A446-Y448 PolarHBondContact O-N 3.43Å; Y448-G450 PolarHBondContact O-N 2.88Å; Y448-F451 HydrophobicContact CD2-CD1 4.19Å; Y448-F451 AromaticContact CE2-CD1 3.95Å; Y448-F451 HydrophobicContact CE2-CD1 3.95Å; Y448-F451 HydrophobicContact CE2-CE1 4.32Å; Y448-F451 WeakPolarHBondContact O-CA 3.12Å; Y448-F451 WeakPolarHBondContact O-CB 3.49Å; Y448-F451 PolarHBondContact O-N 2.83Å; Y448-F451 VanDerWaalsContact O-N 3.15Å; Y448-A452 HydrophobicContact CE1-CB 4.39Å; Y448-A452 PolarHBondContact O-N 3.42Å |
| 449 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65 | -30.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I366 A446 S447 A452 T453 | I366-G449 WeakPolarHBondContact O-CA 3.4Å; A446-G449 WeakPolarHBondContact O-CA 3.42Å; A446-G449 PolarHBondContact O-N 3.42Å; S447-G449 PolarHBondContact O-N 2.98Å; G449-A452 PolarHBondContact O-N 3.25Å; G449-T453 WeakPolarHBondContact O-CB 3.49Å; G449-T453 PolarHBondContact O-N 2.83Å; G449-T453 PolarHBondContact O-OG1 3.41Å |
| 450 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.9 | -44.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G445 A446 S447 Y448 A452 T453 L454 A472 | G445-G450 VanDerWaalsContact C-N 3.3Å; G445-G450 WeakPolarHBondContact O-CA 3.33Å; G445-G450 PolarHBondContact O-N 2.89Å; A446-G450 PolarHBondContact O-N 2.74Å; S447-G450 CarbonylContact O-C 3.53Å; S447-G450 WeakPolarHBondContact O-CA 3.3Å; S447-G450 PolarHBondContact O-N 3.35Å; Y448-G450 PolarHBondContact O-N 2.88Å; G450-A452 VanDerWaalsContact C-N 3.34Å; G450-A452 PolarHBondContact O-N 3.44Å; G450-T453 WeakPolarHBondContact O-CB 3.47Å; G450-T453 PolarHBondContact O-N 2.62Å; G450-L454 WeakPolarHBondContact O-CG 3.49Å; G450-L454 PolarHBondContact O-N 2.95Å; G450-A472 VanDerWaalsContact C-CB 3.43Å |
| 451 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.2 | -48.6 | 170.4 | 162.9 | -85 | 0 | 0 | 0 | 111 | W415 S447 Y448 T453 L454 Y455 P473 L476 P516 | W415-F451 HydrophobicContact CB-CE1 3.94Å; W415-F451 HydrophobicContact CB-CZ 3.86Å; W415-F451 HydrophobicContact CD2-CD1 4.49Å; W415-F451 HydrophobicContact CD2-CE1 4.45Å; W415-F451 HydrophobicContact CE3-CB 4.43Å; W415-F451 AromaticContact CE3-CD1 3.77Å; W415-F451 HydrophobicContact CE3-CD1 3.77Å; W415-F451 AromaticContact CE3-CD2 3.84Å; W415-F451 HydrophobicContact CE3-CD2 3.84Å; W415-F451 AromaticContact CE3-CE1 3.97Å; W415-F451 HydrophobicContact CE3-CE1 3.97Å; W415-F451 AromaticContact CE3-CE2 4Å; W415-F451 HydrophobicContact CE3-CE2 4Å; W415-F451 AromaticContact CE3-CG 3.74Å; W415-F451 HydrophobicContact CE3-CG 3.74Å; W415-F451 HydrophobicContact CE3-CZ 4.09Å; W415-F451 HydrophobicContact CG-CE1 4.47Å; W415-F451 HydrophobicContact CZ3-CB 4.19Å; W415-F451 HydrophobicContact CZ3-CD1 4.35Å; W415-F451 HydrophobicContact CZ3-CD2 4.19Å; W415-F451 AromaticContact CZ3-CG 3.99Å; W415-F451 HydrophobicContact CZ3-CG 3.99Å; S447-F451 PolarHBondContact O-N 3.15Å; Y448-F451 HydrophobicContact CD2-CD1 4.19Å; Y448-F451 AromaticContact CE2-CD1 3.95Å; Y448-F451 HydrophobicContact CE2-CD1 3.95Å; Y448-F451 HydrophobicContact CE2-CE1 4.32Å; Y448-F451 WeakPolarHBondContact O-CA 3.12Å; Y448-F451 WeakPolarHBondContact O-CB 3.49Å; Y448-F451 PolarHBondContact O-N 2.83Å; Y448-F451 VanDerWaalsContact O-N 3.15Å; F451-T453 VanDerWaalsContact C-N 3.29Å; F451-T453 PolarHBondContact O-N 2.86Å; F451-L454 PolarHBondContact O-N 2.86Å; F451-Y455 HydrophobicContact CE1-CD2 4.43Å; F451-Y455 HydrophobicContact CE1-CG 4.49Å; F451-Y455 HydrophobicContact CE2-CD2 4.49Å; F451-Y455 AromaticContact CZ-CD2 3.9Å; F451-Y455 HydrophobicContact CZ-CD2 3.9Å; F451-Y455 HydrophobicContact CZ-CG 4.38Å; F451-Y455 VanDerWaalsContact O-CB 3.26Å; F451-Y455 WeakPolarHBondContact O-CB 2.91Å; F451-Y455 PolarHBondContact O-N 3.1Å; F451-P473 HydrophobicContact CB-CB 4.35Å; F451-P473 HydrophobicContact CB-CG 4.4Å; F451-P473 VanDerWaalsContact CD2-O 3.27Å; F451-P473 WeakPolarHBondContact CD2-O 3.27Å; F451-L476 HydrophobicContact CD2-CD2 3.73Å; F451-L476 HydrophobicContact CD2-CG 4.49Å; F451-L476 HydrophobicContact CE2-CD1 3.94Å; F451-L476 HydrophobicContact CE2-CD2 3.75Å; F451-L476 HydrophobicContact CE2-CG 4.03Å; F451-L476 HydrophobicContact CZ-CD1 4.45Å; F451-P516 HydrophobicContact CD2-CG 3.84Å; F451-P516 VanDerWaalsContact CE2-CD 3.47Å; F451-P516 HydrophobicContact CE2-CG 3.91Å |
| 452 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I366 Q420 I423 Y448 G449 G450 A456 | I366-A452 HydrophobicContact CG2-CB 4.01Å; Q420-A452 PolarHBondContact OE1-O 2.91Å; I423-A452 HydrophobicContact CD1-CB 3.79Å; Y448-A452 HydrophobicContact CE1-CB 4.39Å; Y448-A452 PolarHBondContact O-N 3.42Å; G449-A452 PolarHBondContact O-N 3.25Å; G450-A452 VanDerWaalsContact C-N 3.34Å; G450-A452 PolarHBondContact O-N 3.44Å; A452-A456 VanDerWaalsContact O-CB 3.23Å; A452-A456 WeakPolarHBondContact O-CB 3.1Å; A452-A456 PolarHBondContact O-N 2.79Å |
| 453 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.6 | -51.9 | 173.1 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | I443 M444 G445 G449 G450 F451 Y455 A456 L457 V468 A469 | I443-T453 HydrophobicContact CG2-CG2 3.91Å; M444-T453 WeakPolarHBondContact CA-OG1 3.48Å; G445-T453 PolarHBondContact N-OG1 3.05Å; G449-T453 WeakPolarHBondContact O-CB 3.49Å; G449-T453 PolarHBondContact O-N 2.83Å; G449-T453 PolarHBondContact O-OG1 3.41Å; G450-T453 WeakPolarHBondContact O-CB 3.47Å; G450-T453 PolarHBondContact O-N 2.62Å; F451-T453 VanDerWaalsContact C-N 3.29Å; F451-T453 PolarHBondContact O-N 2.86Å; T453-Y455 VanDerWaalsContact C-N 3.33Å; T453-Y455 PolarHBondContact O-N 3.36Å; T453-A456 PolarHBondContact O-N 2.97Å; T453-L457 WeakPolarHBondContact O-CG 3.14Å; T453-L457 PolarHBondContact O-N 3.19Å; T453-L457 VanDerWaalsContact O-N 3.14Å; T453-V468 WeakPolarHBondContact CG2-O 3.3Å; T453-V468 PolarHBondContact OG1-O 3.25Å; T453-A469 HydrophobicContact CG2-CB 4.15Å |
| 454 | L | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 177.8 | -64.8 | -176.1 | 0 | 0 | 0 | 111.7 | G450 F451 L457 A458 A469 A472 P516 L527 M546 | G450-L454 WeakPolarHBondContact O-CG 3.49Å; G450-L454 PolarHBondContact O-N 2.95Å; F451-L454 PolarHBondContact O-N 2.86Å; L454-L457 PolarHBondContact O-N 2.93Å; L454-A458 VanDerWaalsContact O-CB 3.24Å; L454-A458 WeakPolarHBondContact O-CB 3.32Å; L454-A458 PolarHBondContact O-N 2.96Å; L454-A469 HydrophobicContact CD1-CB 4.49Å; L454-A469 HydrophobicContact CD2-CB 3.58Å; L454-A469 HydrophobicContact CG-CB 3.76Å; L454-A472 HydrophobicContact CD1-CB 3.61Å; L454-A472 HydrophobicContact CG-CB 4.12Å; L454-P516 HydrophobicContact CB-CB 3.6Å; L454-P516 HydrophobicContact CB-CG 3.88Å; L454-L527 HydrophobicContact CD2-CD1 4.24Å; L454-L527 HydrophobicContact CD2-CD2 3.78Å; L454-M546 HydrophobicContact CD1-CG 4.25Å; L454-M546 HydrophobicContact CD2-CE 4.26Å |
| 455 | Y | 98.6 | Very high | 97.5 | Very high | 30 Ų | 30 | 23 Ų | 23 | 12% | 0.118 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 178.5 | -169.1 | -84.5 | 0 | 0 | 0 | 111.1 | G416 Q420 F451 T453 L457 A458 Y459 V514 P516 | G416-Y455 VanDerWaalsContact CA-CE2 3.47Å; G416-Y455 WeakPolarHBondContact O-CE1 3.47Å; G416-Y455 PolarHBondContact O-OH 3.34Å; Q420-Y455 HydrophobicContact CB-CD1 4.2Å; Q420-Y455 HydrophobicContact CB-CE1 4.25Å; Q420-Y455 HydrophobicContact CG-CD1 3.64Å; Q420-Y455 HydrophobicContact CG-CE1 3.93Å; F451-Y455 HydrophobicContact CE1-CD2 4.43Å; F451-Y455 HydrophobicContact CE1-CG 4.49Å; F451-Y455 HydrophobicContact CE2-CD2 4.49Å; F451-Y455 AromaticContact CZ-CD2 3.9Å; F451-Y455 HydrophobicContact CZ-CD2 3.9Å; F451-Y455 HydrophobicContact CZ-CG 4.38Å; F451-Y455 VanDerWaalsContact O-CB 3.26Å; F451-Y455 WeakPolarHBondContact O-CB 2.91Å; F451-Y455 PolarHBondContact O-N 3.1Å; T453-Y455 VanDerWaalsContact C-N 3.33Å; T453-Y455 PolarHBondContact O-N 3.36Å; Y455-L457 VanDerWaalsContact C-N 3.32Å; Y455-L457 PolarHBondContact O-N 3.33Å; Y455-A458 PolarHBondContact O-N 3.36Å; Y455-Y459 HydrophobicContact CD1-CD2 4.27Å; Y455-Y459 HydrophobicContact CD1-CG 4.44Å; Y455-Y459 AromaticContact CD2-CD2 3.61Å; Y455-Y459 HydrophobicContact CD2-CD2 3.61Å; Y455-Y459 AromaticContact CD2-CE2 3.87Å; Y455-Y459 HydrophobicContact CD2-CE2 3.87Å; Y455-Y459 HydrophobicContact CD2-CG 4.35Å; Y455-Y459 HydrophobicContact CE1-CD2 4.17Å; Y455-Y459 AromaticContact CE1-CG 3.98Å; Y455-Y459 HydrophobicContact CE1-CG 3.98Å; Y455-Y459 HydrophobicContact CE2-CD1 4.33Å; Y455-Y459 AromaticContact CE2-CD2 3.43Å; Y455-Y459 HydrophobicContact CE2-CD2 3.43Å; Y455-Y459 VanDerWaalsContact CE2-CD2 3.43Å; Y455-Y459 HydrophobicContact CE2-CE1 4.47Å; Y455-Y459 AromaticContact CE2-CE2 3.6Å; Y455-Y459 HydrophobicContact CE2-CE2 3.6Å; Y455-Y459 AromaticContact CE2-CG 3.84Å; Y455-Y459 HydrophobicContact CE2-CG 3.84Å; Y455-Y459 HydrophobicContact CG-CD2 4.03Å; Y455-Y459 AromaticContact CZ-CD2 3.73Å; Y455-Y459 AromaticContact CZ-CG 3.63Å; Y455-Y459 WeakPolarHBondContact O-CB 3.43Å; Y455-Y459 PolarHBondContact O-N 2.72Å; Y455-V514 WeakPolarHBondContact CD2-O 3.35Å; Y455-V514 WeakPolarHBondContact CE2-O 3.2Å; Y455-P516 HydrophobicContact CD2-CG 4.4Å |
| 456 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.7 | -43.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I443 A452 T453 T460 Y464 | I443-A456 HydrophobicContact CD1-CB 3.8Å; I443-A456 HydrophobicContact CG2-CB 4.4Å; A452-A456 VanDerWaalsContact O-CB 3.23Å; A452-A456 WeakPolarHBondContact O-CB 3.1Å; A452-A456 PolarHBondContact O-N 2.79Å; T453-A456 PolarHBondContact O-N 2.97Å; A456-T460 WeakPolarHBondContact CA-OG1 3.39Å; A456-T460 CarbonylContact O-C 3.58Å; A456-T460 VanDerWaalsContact O-CA 3.25Å; A456-T460 WeakPolarHBondContact O-CA 3.26Å; A456-T460 PolarHBondContact O-N 2.86Å; A456-T460 VanDerWaalsContact O-O 3.07Å; A456-T460 PolarHBondContact O-OG1 2.83Å; A456-Y464 HydrophobicContact CB-CD2 3.91Å; A456-Y464 HydrophobicContact CB-CE2 3.74Å |
| 457 | L | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -73.7 | -26.3 | 179.6 | -63.3 | -177.7 | 0 | 0 | 0 | 113.6 | I443 T453 L454 Y455 P461 V523 K525 L527 | I443-L457 HydrophobicContact CG2-CD2 4.48Å; T453-L457 WeakPolarHBondContact O-CG 3.14Å; T453-L457 PolarHBondContact O-N 3.19Å; T453-L457 VanDerWaalsContact O-N 3.14Å; L454-L457 PolarHBondContact O-N 2.93Å; Y455-L457 VanDerWaalsContact C-N 3.32Å; Y455-L457 PolarHBondContact O-N 3.33Å; L457-P461 WeakPolarHBondContact O-CB 3.37Å; L457-V523 HydrophobicContact CB-CG1 4.11Å; L457-V523 HydrophobicContact CB-CG2 4.3Å; L457-V523 HydrophobicContact CD1-CG1 4.47Å; L457-K525 HydrophobicContact CD2-CB 4.19Å; L457-L527 HydrophobicContact CD1-CB 4.33Å; L457-L527 HydrophobicContact CD1-CD1 3.86Å; L457-L527 HydrophobicContact CD1-CD2 4.49Å; L457-L527 HydrophobicContact CD1-CG 4.44Å |
| 458 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -89.9 | -35.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L454 Y455 Q519 N522 V523 | L454-A458 VanDerWaalsContact O-CB 3.24Å; L454-A458 WeakPolarHBondContact O-CB 3.32Å; L454-A458 PolarHBondContact O-N 2.96Å; Y455-A458 PolarHBondContact O-N 3.36Å; A458-Q519 HydrophobicContact CB-CB 3.96Å; A458-N522 WeakPolarHBondContact O-CB 3.47Å; A458-N522 PolarHBondContact O-ND2 3.17Å; A458-V523 HydrophobicContact CB-CG2 3.86Å |
| 459 | Y | 97.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 20.2 Ų | 20.2 | 24% | 0.235 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -107.5 | -20.3 | -175.4 | -74.4 | -95.6 | 0 | 0 | 0 | 113.8 | Y455 P461 K513 S515 R518 Q519 | Y455-Y459 HydrophobicContact CD1-CD2 4.27Å; Y455-Y459 HydrophobicContact CD1-CG 4.44Å; Y455-Y459 AromaticContact CD2-CD2 3.61Å; Y455-Y459 HydrophobicContact CD2-CD2 3.61Å; Y455-Y459 AromaticContact CD2-CE2 3.87Å; Y455-Y459 HydrophobicContact CD2-CE2 3.87Å; Y455-Y459 HydrophobicContact CD2-CG 4.35Å; Y455-Y459 HydrophobicContact CE1-CD2 4.17Å; Y455-Y459 AromaticContact CE1-CG 3.98Å; Y455-Y459 HydrophobicContact CE1-CG 3.98Å; Y455-Y459 HydrophobicContact CE2-CD1 4.33Å; Y455-Y459 AromaticContact CE2-CD2 3.43Å; Y455-Y459 HydrophobicContact CE2-CD2 3.43Å; Y455-Y459 VanDerWaalsContact CE2-CD2 3.43Å; Y455-Y459 HydrophobicContact CE2-CE1 4.47Å; Y455-Y459 AromaticContact CE2-CE2 3.6Å; Y455-Y459 HydrophobicContact CE2-CE2 3.6Å; Y455-Y459 AromaticContact CE2-CG 3.84Å; Y455-Y459 HydrophobicContact CE2-CG 3.84Å; Y455-Y459 HydrophobicContact CG-CD2 4.03Å; Y455-Y459 AromaticContact CZ-CD2 3.73Å; Y455-Y459 AromaticContact CZ-CG 3.63Å; Y455-Y459 WeakPolarHBondContact O-CB 3.43Å; Y455-Y459 PolarHBondContact O-N 2.72Å; Y459-P461 VanDerWaalsContact C-CD 3.5Å; Y459-K513 PolarHBondContact OH-O 2.66Å; Y459-S515 PolarHBondContact OH-O 2.73Å; Y459-R518 PolarHBondContact OH-NE 2.95Å; Y459-Q519 HydrophobicContact CD1-CG 4.23Å; Y459-Q519 HydrophobicContact CD2-CB 4.28Å; Y459-Q519 HydrophobicContact CD2-CG 4.33Å; Y459-Q519 HydrophobicContact CE1-CG 3.58Å; Y459-Q519 HydrophobicContact CE2-CB 3.85Å; Y459-Q519 HydrophobicContact CE2-CG 3.69Å; Y459-Q519 VanDerWaalsContact OH-CG 3.29Å; Y459-Q519 WeakPolarHBondContact OH-CG 3.38Å |
| 460 | T | 95.2 | Very high | 97.6 | Very high | 35 Ų | 35 | 21.2 Ų | 21.2 | 22% | 0.215 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -133.5 | 55.4 | 175.7 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | A456 D462 K463 | A456-T460 WeakPolarHBondContact CA-OG1 3.39Å; A456-T460 CarbonylContact O-C 3.58Å; A456-T460 VanDerWaalsContact O-CA 3.25Å; A456-T460 WeakPolarHBondContact O-CA 3.26Å; A456-T460 PolarHBondContact O-N 2.86Å; A456-T460 VanDerWaalsContact O-O 3.07Å; A456-T460 PolarHBondContact O-OG1 2.83Å; T460-D462 PolarHBondContact O-N 2.87Å; T460-K463 HydrophobicContact CG2-CD 4.34Å; T460-K463 PolarHBondContact O-N 2.81Å; T460-K463 VanDerWaalsContact O-N 3.1Å |
| 461 | P | 94.9 | Very high | 97.5 | Very high | 29 Ų | 29 | 21.2 Ų | 21.2 | 19% | 0.188 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.4 | -165.4 | 25.1 | -36.4 | 0 | 0 | 0 | 115.6 | L457 Y459 K525 | L457-P461 WeakPolarHBondContact O-CB 3.37Å; Y459-P461 VanDerWaalsContact C-CD 3.5Å; P461-K525 VanDerWaalsContact O-CE 3.28Å; P461-K525 WeakPolarHBondContact O-CE 3.42Å; P461-K525 WeakPolarHBondContact O-CG 3.34Å |
| 462 | D | 94.3 | Very high | 97.5 | Very high | 139 Ų | 139 | 21.2 Ų | 21.2 | 74% | 0.743 | 11% | 0.105 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.4 | -177.7 | -58.1 | -47 | 0 | 0 | 0 | 113.6 | T460 | T460-D462 PolarHBondContact O-N 2.87Š|
| 463 | K | 94.2 | Very high | 97.5 | Very high | 75 Ų | 75 | 21.4 Ų | 21.4 | 33% | 0.326 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -77.6 | -29.8 | -174.2 | -69.3 | -167.4 | 178.4 | -165.9 | 0 | 114.2 | N424 M441 T460 | N424-K463 HydrophobicContact CB-CD 4.38Å; N424-K463 VanDerWaalsContact CG-NZ 3.34Å; N424-K463 PolarHBondContact ND2-NZ 3.33Å; N424-K463 VanDerWaalsContact ND2-NZ 3.15Å; M441-K463 WeakPolarHBondContact CE-O 3.29Å; T460-K463 HydrophobicContact CG2-CD 4.34Å; T460-K463 PolarHBondContact O-N 2.81Å; T460-K463 VanDerWaalsContact O-N 3.1Å |
| 464 | Y | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -125.3 | 149.1 | -175.3 | -59.8 | -79.6 | 0 | 0 | 0 | 110.2 | N364 N424 F427 M441 I443 A456 K525 | N364-Y464 HydrophobicContact CB-CE1 4.17Å; N364-Y464 PolarHBondContact ND2-OH 2.78Å; N424-Y464 PolarHBondContact OD1-OH 2.86Å; F427-Y464 HydrophobicContact CG-CE1 4.42Å; M441-Y464 HydrophobicContact CB-CD1 4.22Å; M441-Y464 CarbonylContact O-C 3.59Å; I443-Y464 HydrophobicContact CB-CD1 3.74Å; I443-Y464 HydrophobicContact CB-CD2 4.2Å; I443-Y464 HydrophobicContact CB-CE1 3.75Å; I443-Y464 HydrophobicContact CB-CE2 4.23Å; I443-Y464 HydrophobicContact CB-CG 3.96Å; I443-Y464 HydrophobicContact CD1-CE2 4.05Å; I443-Y464 HydrophobicContact CG2-CD1 4.03Å; I443-Y464 HydrophobicContact CG2-CD2 3.85Å; I443-Y464 HydrophobicContact CG2-CE1 4.43Å; I443-Y464 HydrophobicContact CG2-CE2 4.28Å; I443-Y464 HydrophobicContact CG2-CG 3.72Å; A456-Y464 HydrophobicContact CB-CD2 3.91Å; A456-Y464 HydrophobicContact CB-CE2 3.74Å; Y464-K525 WeakPolarHBondContact O-CD 3.28Å; Y464-K525 VanDerWaalsContact O-CE 3.25Å; Y464-K525 WeakPolarHBondContact O-CE 3.49Å; Y464-K525 VanDerWaalsContact O-CG 3.3Å; Y464-K525 WeakPolarHBondContact O-CG 3.11Å | ||
| 465 | Q | 97.4 | Very high | 97.4 | Very high | 52 Ų | 52 | 22.6 Ų | 22.6 | 24% | 0.243 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -87.6 | -21.5 | 178.7 | -59.5 | -51.2 | -27.9 | 0 | 0 | 113.2 | N439 M441 P526 C589 L590 | N439-Q465 WeakPolarHBondContact O-CG 3.21Å; N439-Q465 PolarHBondContact O-NE2 3.27Å; M441-Q465 PolarHBondContact O-N 2.99Å; Q465-P526 WeakPolarHBondContact O-CD 3.41Å; Q465-C589 HydrophobicContact CB-CB 4.42Å; Q465-L590 HydrophobicContact CB-CD2 4.07Å; Q465-L590 HydrophobicContact CG-CD2 4.36Å |
| 466 | C | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 170.4 | 177.7 | 46.3 | 0 | 0 | 0 | 0 | 109.5 | A442 I443 P526 L585 C589 | A442-C466 WeakPolarHBondContact CA-O 3.46Å; A442-C466 WeakPolarHBondContact CB-O 3.47Å; A442-C466 VanDerWaalsContact CB-SG 3.59Å; I443-C466 PolarHBondContact N-O 3.15Å; C466-P526 CarbonylContact C-O 3.56Å; C466-P526 WeakPolarHBondContact CA-O 3.38Å; C466-P526 HydrophobicContact CB-CB 4.14Å; C466-P526 VanDerWaalsContact CB-O 3.28Å; C466-P526 WeakPolarHBondContact CB-O 3.36Å; C466-L585 HydrophobicContact CB-CD1 4.33Å; C466-L585 HydrophobicContact CB-CD2 4.46Å; C466-L585 HydrophobicContact CB-CG 4.36Å; C466-C589 HydrophobicContact CB-CB 3.65Å; C466-C589 WeakPolarHBondContact CB-SG 3.37Å; C466-C589 WeakPolarHBondContact SG-CB 3.12Å; C466-C589 CovalentContact SG-SG 2.03Å; C466-C589 PolarHBondContact SG-SG 2.83Å |
| 467 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 167.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I443 P526 L527 L528 L585 | I443-G467 CarbonylContact O-C 3.6Å; I443-G467 WeakPolarHBondContact O-CA 3.49Å; G467-P526 PolarHBondContact N-O 3.06Å; G467-L527 CarbonylContact O-C 3.48Å; G467-L527 WeakPolarHBondContact O-CA 3.44Å; G467-L527 WeakPolarHBondContact O-CD1 3.48Å; G467-L528 PolarHBondContact O-N 2.97Å; G467-L585 WeakPolarHBondContact O-CD2 3.38Å |
| 468 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 118.1 | 179.4 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | I443 M444 G445 T453 L528 Y578 I582 L585 F586 | I443-V468 PolarHBondContact O-N 2.95Å; M444-V468 VanDerWaalsContact CA-O 3.25Å; M444-V468 WeakPolarHBondContact CA-O 3.43Å; M444-V468 HydrophobicContact CB-CB 3.68Å; M444-V468 HydrophobicContact CB-CG2 4.32Å; G445-V468 PolarHBondContact N-O 3.46Å; T453-V468 WeakPolarHBondContact CG2-O 3.3Å; T453-V468 PolarHBondContact OG1-O 3.25Å; V468-L528 CarbonylContact C-O 3.21Å; V468-L528 WeakPolarHBondContact CA-O 3.5Å; V468-L528 HydrophobicContact CG1-CD2 4.17Å; V468-L528 HydrophobicContact CG2-CB 4.34Å; V468-Y578 HydrophobicContact CG1-CE2 4.18Å; V468-Y578 WeakPolarHBondContact CG1-OH 3.33Å; V468-I582 HydrophobicContact CG1-CD1 4.07Å; V468-I582 HydrophobicContact CG1-CG1 4.02Å; V468-I582 HydrophobicContact CG2-CG1 4.11Å; V468-I582 HydrophobicContact CG2-CG2 4.46Å; V468-L585 HydrophobicContact CG2-CD2 3.74Å; V468-F586 HydrophobicContact CG2-CE1 3.73Å; V468-F586 HydrophobicContact CG2-CZ 3.63Å |
| 469 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 111.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T453 L454 A472 L527 L528 I529 A530 | T453-A469 HydrophobicContact CG2-CB 4.15Å; L454-A469 HydrophobicContact CD1-CB 4.49Å; L454-A469 HydrophobicContact CD2-CB 3.58Å; L454-A469 HydrophobicContact CG-CB 3.76Å; A469-A472 HydrophobicContact CB-CB 3.98Å; A469-L527 HydrophobicContact CB-CD1 4.26Å; A469-L528 PolarHBondContact N-O 2.8Å; A469-I529 WeakPolarHBondContact O-CA 3.46Å; A469-A530 PolarHBondContact O-N 3.17Å |
| 470 | E | 98.3 | Very high | 96.9 | Very high | 21 Ų | 21 | 22.1 Ų | 22.1 | 10% | 0.098 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.1 | 173.9 | 178.1 | -170.3 | 171 | 0 | 0 | 110.6 | G445 A446 S447 A472 A530 C568 I569 | G445-E470 PolarHBondContact O-N 2.89Å; A446-E470 CarbonylContact C-O 3.54Å; A446-E470 VanDerWaalsContact CA-O 3.27Å; A446-E470 WeakPolarHBondContact CA-O 3.49Å; A446-E470 HydrophobicContact CB-CB 3.85Å; A446-E470 HydrophobicContact CB-CG 4.05Å; A446-E470 WeakPolarHBondContact CB-OE2 3.23Å; S447-E470 PolarHBondContact N-O 3.24Å; E470-A472 PolarHBondContact O-N 2.83Å; E470-A530 CarbonylContact C-O 3.51Å; E470-A530 WeakPolarHBondContact CA-O 3.47Å; E470-C568 WeakPolarHBondContact OE1-CA 3.14Å; E470-I569 PolarHBondContact OE1-N 2.83Å |
| 471 | C | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 46.2 | 44.1 | 172.7 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | S447 P473 A530 H531 | S447-C471 WeakPolarHBondContact CA-O 3.25Å; C471-P473 WeakPolarHBondContact O-CD 3.29Å; C471-A530 PolarHBondContact N-O 2.89Å; C471-H531 WeakPolarHBondContact CA-ND1 3.43Å |
| 472 | A | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | trans | -89.1 | 124 | -161.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G450 L454 A469 E470 S474 | G450-A472 VanDerWaalsContact C-CB 3.43Å; L454-A472 HydrophobicContact CD1-CB 3.61Å; L454-A472 HydrophobicContact CG-CB 4.12Å; A469-A472 HydrophobicContact CB-CB 3.98Å; E470-A472 PolarHBondContact O-N 2.83Å; A472-S474 PolarHBondContact O-N 3.04Å | ||
| 473 | P | 97.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.019 | 10% | 0.101 | C | C | . | . | trans | -62.3 | 91.1 | 169.8 | -22.4 | 33.7 | 0 | 0 | 0 | 111.3 | W415 S447 F451 C471 L476 T479 V538 | W415-P473 HydrophobicContact CZ3-CB 4.24Å; W415-P473 HydrophobicContact CZ3-CG 4.22Å; S447-P473 WeakPolarHBondContact O-CD 3.38Å; F451-P473 HydrophobicContact CB-CB 4.35Å; F451-P473 HydrophobicContact CB-CG 4.4Å; F451-P473 VanDerWaalsContact CD2-O 3.27Å; F451-P473 WeakPolarHBondContact CD2-O 3.27Å; C471-P473 WeakPolarHBondContact O-CD 3.29Å; P473-L476 HydrophobicContact CB-CD2 4Å; P473-T479 HydrophobicContact CB-CG2 4.09Å; P473-T479 WeakPolarHBondContact CB-OG1 3.16Å; P473-T479 HydrophobicContact CG-CG2 4.43Å; P473-V538 HydrophobicContact CG-CG1 4.3Å; P473-V538 HydrophobicContact CG-CG2 3.86Å | ||
| 474 | S | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -83.2 | -25.3 | 179.8 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | A472 S515 P516 L517 A542 | A472-S474 PolarHBondContact O-N 3.04Å; S474-S515 WeakPolarHBondContact O-CB 3.41Å; S474-P516 VanDerWaalsContact O-CD 3.27Å; S474-P516 WeakPolarHBondContact O-CD 3.49Å; S474-L517 VanDerWaalsContact O-CB 3.23Å; S474-L517 WeakPolarHBondContact O-CB 3.32Å; S474-L517 PolarHBondContact O-N 2.94Å; S474-A542 VanDerWaalsContact OG-C 3.25Å; S474-A542 PolarHBondContact OG-O 2.84Å |
| 475 | D | 97.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 25.2 Ų | 25.2 | 15% | 0.15 | 12% | 0.118 | C | C | . | . | trans | -126.1 | 109.7 | 176 | -177.6 | 2.5 | 0 | 0 | 0 | 110 | I477 E478 T479 S515 L517 | D475-I477 VanDerWaalsContact C-N 3.27Å; D475-I477 PolarHBondContact O-N 3.42Å; D475-I477 WeakPolarHBondContact OD1-CB 3.35Å; D475-I477 PolarHBondContact OD1-N 2.88Å; D475-E478 HydrophobicContact CB-CB 4.14Å; D475-E478 PolarHBondContact O-N 3.09Å; D475-T479 WeakPolarHBondContact O-CB 3.26Å; D475-T479 PolarHBondContact O-N 2.78Å; D475-T479 PolarHBondContact O-OG1 2.64Å; D475-S515 PolarHBondContact OD1-OG 2.78Å; D475-L517 HydrophobicContact CB-CD2 3.97Å | ||
| 476 | L | 97.2 | Very high | 94 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.6 | -20.4 | -178.1 | -57.4 | -164.8 | 0 | 0 | 0 | 113.2 | W415 F451 P473 M480 F498 L511 V514 S515 | W415-L476 HydrophobicContact CB-CD1 4.32Å; W415-L476 HydrophobicContact CE3-CD1 4.15Å; W415-L476 HydrophobicContact CE3-CD2 3.84Å; W415-L476 HydrophobicContact CZ3-CD2 3.9Å; F451-L476 HydrophobicContact CD2-CD2 3.73Å; F451-L476 HydrophobicContact CD2-CG 4.49Å; F451-L476 HydrophobicContact CE2-CD1 3.94Å; F451-L476 HydrophobicContact CE2-CD2 3.75Å; F451-L476 HydrophobicContact CE2-CG 4.03Å; F451-L476 HydrophobicContact CZ-CD1 4.45Å; P473-L476 HydrophobicContact CB-CD2 4Å; L476-M480 WeakPolarHBondContact O-CG 3.36Å; L476-M480 PolarHBondContact O-N 2.81Å; L476-M480 VanDerWaalsContact O-N 3.09Å; L476-F498 HydrophobicContact CB-CE1 4.37Å; L476-F498 HydrophobicContact CD1-CD1 4.26Å; L476-F498 HydrophobicContact CD1-CE1 4.3Å; L476-F498 HydrophobicContact CD2-CE1 4.18Å; L476-L511 HydrophobicContact CB-CB 4.08Å; L476-L511 HydrophobicContact CB-CD2 3.89Å; L476-L511 HydrophobicContact CD1-CD2 4.4Å; L476-V514 HydrophobicContact CD1-CG2 3.64Å; L476-S515 PolarHBondContact N-OG 3.48Å |
| 477 | I | 97.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 29.3 Ų | 29.3 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.7 | -55.7 | 172.7 | -62.2 | 175.6 | 0 | 0 | 0 | 109.2 | D475 T479 M480 Q481 K508 L511 W512 | D475-I477 VanDerWaalsContact C-N 3.27Å; D475-I477 PolarHBondContact O-N 3.42Å; D475-I477 WeakPolarHBondContact OD1-CB 3.35Å; D475-I477 PolarHBondContact OD1-N 2.88Å; I477-T479 PolarHBondContact O-N 3.34Å; I477-M480 PolarHBondContact O-N 3.32Å; I477-Q481 HydrophobicContact CG2-CG 4.4Å; I477-Q481 WeakPolarHBondContact O-CB 3.47Å; I477-Q481 WeakPolarHBondContact O-CG 3.17Å; I477-Q481 PolarHBondContact O-N 2.93Å; I477-K508 HydrophobicContact CD1-CB 3.95Å; I477-K508 HydrophobicContact CD1-CG 4.32Å; I477-K508 HydrophobicContact CG1-CB 4.46Å; I477-L511 HydrophobicContact CG1-CB 3.82Å; I477-L511 HydrophobicContact CG1-CD1 4.43Å; I477-W512 HydrophobicContact CD1-CB 3.92Å |
| 478 | E | 96.1 | Very high | 92.6 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 18% | 0.178 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.5 | -41.8 | 175.7 | 172.7 | 63.9 | -171 | 0 | 0 | 110.5 | D475 M480 Q481 S482 S539 K541 | D475-E478 HydrophobicContact CB-CB 4.14Å; D475-E478 PolarHBondContact O-N 3.09Å; E478-M480 PolarHBondContact O-N 3.3Å; E478-Q481 PolarHBondContact O-N 3.36Å; E478-S482 VanDerWaalsContact O-CB 3.23Å; E478-S482 WeakPolarHBondContact O-CB 3.23Å; E478-S482 PolarHBondContact O-N 3.22Å; E478-S482 PolarHBondContact O-OG 3.39Å; E478-S539 PolarHBondContact OE1-OG 3.06Å; E478-S539 VanDerWaalsContact OE1-OG 3.05Å; E478-K541 WeakPolarHBondContact OE1-CD 3.31Å |
| 479 | T | 95.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.3 | -45.8 | 178.8 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | P473 D475 I477 M483 F498 | P473-T479 HydrophobicContact CB-CG2 4.09Å; P473-T479 WeakPolarHBondContact CB-OG1 3.16Å; P473-T479 HydrophobicContact CG-CG2 4.43Å; D475-T479 WeakPolarHBondContact O-CB 3.26Å; D475-T479 PolarHBondContact O-N 2.78Å; D475-T479 PolarHBondContact O-OG1 2.64Å; I477-T479 PolarHBondContact O-N 3.34Å; T479-M483 WeakPolarHBondContact O-CG 3.39Å; T479-M483 PolarHBondContact O-N 2.75Å; T479-F498 HydrophobicContact CG2-CZ 4.23Å |
| 480 | M | 94.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.4 | -36 | 177.5 | -73 | -165.1 | 77.9 | 0 | 0 | 112.9 | L476 I477 E478 M483 Y491 K495 F498 A500 A502 L511 | L476-M480 WeakPolarHBondContact O-CG 3.36Å; L476-M480 PolarHBondContact O-N 2.81Å; L476-M480 VanDerWaalsContact O-N 3.09Å; I477-M480 PolarHBondContact O-N 3.32Å; E478-M480 PolarHBondContact O-N 3.3Å; M480-M483 HydrophobicContact CG-CE 4.11Å; M480-Y491 HydrophobicContact CE-CE2 4.11Å; M480-K495 HydrophobicContact CE-CG 4.04Å; M480-F498 HydrophobicContact CG-CD1 4.09Å; M480-F498 HydrophobicContact CG-CE1 4.16Å; M480-F498 HydrophobicContact CG-CG 4.31Å; M480-F498 HydrophobicContact CG-CZ 4.46Å; M480-F498 HydrophobicContact SD-CB 4.05Å; M480-F498 HydrophobicContact SD-CD1 4.1Å; M480-F498 HydrophobicContact SD-CG 4.01Å; M480-A500 WeakPolarHBondContact CE-O 3.46Å; M480-A502 HydrophobicContact CB-CB 3.68Å; M480-A502 HydrophobicContact SD-CB 4.35Å; M480-L511 HydrophobicContact CG-CD1 4.4Å; M480-L511 HydrophobicContact SD-CD1 3.49Å; M480-L511 WeakPolarHBondContact SD-CD1 3.25Å; M480-L511 HydrophobicContact SD-CD2 3.77Å; M480-L511 HydrophobicContact SD-CG 4.28Å |
| 481 | Q | 93.1 | Very high | 91.2 | Very high | 116 Ų | 116 | 37.9 Ų | 37.9 | 54% | 0.542 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -76.6 | -27.5 | -178.8 | -70.6 | 177.7 | -14.9 | 0 | 0 | 113.6 | I477 E478 A502 | I477-Q481 HydrophobicContact CG2-CG 4.4Å; I477-Q481 WeakPolarHBondContact O-CB 3.47Å; I477-Q481 WeakPolarHBondContact O-CG 3.17Å; I477-Q481 PolarHBondContact O-N 2.93Å; E478-Q481 PolarHBondContact O-N 3.36Å; Q481-A502 HydrophobicContact CG-CB 3.94Å |
| 482 | S | 91.9 | Very high | 91.1 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 24% | 0.238 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 5.9 | -178.6 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | E478 S539 | E478-S482 VanDerWaalsContact O-CB 3.23Å; E478-S482 WeakPolarHBondContact O-CB 3.23Å; E478-S482 PolarHBondContact O-N 3.22Å; E478-S482 PolarHBondContact O-OG 3.39Å; S482-S539 WeakPolarHBondContact OG-CB 3.41Å |
| 483 | M | 88 | Confident | 90.9 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | trans | -52.1 | 142.7 | 178.6 | -72.8 | -165.6 | 178 | 0 | 0 | 111.4 | T479 M480 R485 W487 Y491 Y494 F498 | T479-M483 WeakPolarHBondContact O-CG 3.39Å; T479-M483 PolarHBondContact O-N 2.75Å; M480-M483 HydrophobicContact CG-CE 4.11Å; M483-R485 PolarHBondContact O-N 3.24Å; M483-W487 HydrophobicContact CB-CE3 4.33Å; M483-W487 HydrophobicContact CG-CE3 4.31Å; M483-W487 HydrophobicContact SD-CE3 4.07Å; M483-Y491 HydrophobicContact SD-CD2 4.43Å; M483-Y491 HydrophobicContact SD-CE2 4.41Å; M483-Y494 HydrophobicContact CE-CD1 3.74Å; M483-Y494 HydrophobicContact CE-CE1 4.4Å; M483-Y494 HydrophobicContact CE-CG 4.02Å; M483-Y494 HydrophobicContact SD-CD1 3.97Å; M483-Y494 HydrophobicContact SD-CD2 4.21Å; M483-Y494 HydrophobicContact SD-CE1 4.4Å; M483-Y494 HydrophobicContact SD-CG 3.86Å; M483-F498 HydrophobicContact CE-CD2 4.34Å; M483-F498 HydrophobicContact CE-CE2 3.58Å; M483-F498 HydrophobicContact CE-CZ 3.91Å | ||
| 484 | P | 83.4 | Confident | 90.8 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.071 | 19% | 0.194 | C | C | . | . | trans | -55.6 | 137.4 | 177.9 | 8 | -16.4 | 0 | 0 | 0 | 110.3 | E486 W487 D536 | P484-E486 VanDerWaalsContact CB-OE2 3.29Å; P484-E486 WeakPolarHBondContact CB-OE2 3.47Å; P484-E486 PolarHBondContact O-N 3.01Å; P484-W487 HydrophobicContact CG-CD2 3.63Å; P484-W487 HydrophobicContact CG-CE3 3.94Å; P484-W487 HydrophobicContact CG-CG 4.07Å; P484-W487 HydrophobicContact CG-CH2 4.19Å; P484-W487 HydrophobicContact CG-CZ2 3.9Å; P484-W487 HydrophobicContact CG-CZ3 4.2Å; P484-W487 WeakPolarHBondContact O-CB 3.42Å; P484-W487 PolarHBondContact O-N 2.8Å; P484-D536 WeakPolarHBondContact CB-O 3.41Å; P484-D536 VanDerWaalsContact CD-O 3.26Å; P484-D536 WeakPolarHBondContact CD-O 3.37Å; P484-D536 WeakPolarHBondContact CG-O 3.28Å | ||
| 485 | R | 80.2 | Confident | 90.7 | Very high | 165 Ų | 165 | 41.4 Ų | 41.4 | 62% | 0.623 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -56.8 | -32.2 | -174.7 | -68.4 | -176.6 | 173.6 | -175.9 | -0.5 | 111.2 | V105 M483 W487 N488 | V105-R485 WeakPolarHBondContact CG1-O 3.42Å; V105-R485 HydrophobicContact CG2-CB 3.5Å; V105-R485 VanDerWaalsContact CG2-CB 3.5Å; V105-R485 WeakPolarHBondContact CG2-O 3.28Å; M483-R485 PolarHBondContact O-N 3.24Å; R485-W487 PolarHBondContact O-N 2.96Å; R485-N488 VanDerWaalsContact O-CB 3.23Å; R485-N488 WeakPolarHBondContact O-CB 3.48Å; R485-N488 PolarHBondContact O-N 3.09Å; R485-N488 PolarHBondContact O-ND2 3.31Å |
| 486 | E | 75.4 | Confident | 90.7 | Very high | 71 Ų | 71 | 42.4 Ų | 42.4 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -52 | -26.7 | 176.4 | -65.3 | 71.9 | -154.7 | 0 | 0 | 112.4 | P484 | P484-E486 VanDerWaalsContact CB-OE2 3.29Å; P484-E486 WeakPolarHBondContact CB-OE2 3.47Å; P484-E486 PolarHBondContact O-N 3.01Å |
| 487 | W | 82.8 | Confident | 90.7 | Very high | 68 Ų | 68 | 43.8 Ų | 43.8 | 26% | 0.258 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -89.9 | -7.3 | -177.4 | -63.1 | 4.1 | 0 | 0 | 0 | 113.3 | M483 P484 R485 L489 A490 Y491 Y494 R537 | M483-W487 HydrophobicContact CB-CE3 4.33Å; M483-W487 HydrophobicContact CG-CE3 4.31Å; M483-W487 HydrophobicContact SD-CE3 4.07Å; P484-W487 HydrophobicContact CG-CD2 3.63Å; P484-W487 HydrophobicContact CG-CE3 3.94Å; P484-W487 HydrophobicContact CG-CG 4.07Å; P484-W487 HydrophobicContact CG-CH2 4.19Å; P484-W487 HydrophobicContact CG-CZ2 3.9Å; P484-W487 HydrophobicContact CG-CZ3 4.2Å; P484-W487 WeakPolarHBondContact O-CB 3.42Å; P484-W487 PolarHBondContact O-N 2.8Å; R485-W487 PolarHBondContact O-N 2.96Å; W487-L489 PolarHBondContact O-N 3.18Å; W487-A490 CarbonylContact O-C 3.56Å; W487-A490 WeakPolarHBondContact O-CA 3.49Å; W487-A490 PolarHBondContact O-N 3.29Å; W487-Y491 PolarHBondContact O-N 2.83Å; W487-Y491 VanDerWaalsContact O-N 3.16Å; W487-Y494 HydrophobicContact CB-CE2 3.82Å; W487-Y494 HydrophobicContact CD2-CE2 4.21Å; W487-Y494 AromaticContact CD2-CZ 3.77Å; W487-Y494 VanDerWaalsContact CD2-OH 3.23Å; W487-Y494 AromaticContact CE3-CE1 3.81Å; W487-Y494 HydrophobicContact CE3-CE1 3.81Å; W487-Y494 HydrophobicContact CE3-CE2 4.05Å; W487-Y494 AromaticContact CE3-CZ 3.43Å; W487-Y494 VanDerWaalsContact CE3-CZ 3.43Å; W487-Y494 VanDerWaalsContact CE3-OH 3.25Å; W487-Y494 HydrophobicContact CG-CE2 4.16Å; W487-Y494 HydrophobicContact CZ3-CE1 4.03Å; W487-R537 HydrophobicContact CH2-CB 4.06Å; W487-R537 HydrophobicContact CH2-CG 4.12Å; W487-R537 HydrophobicContact CZ2-CG 4.16Å |
| 488 | N | 83.6 | Confident | 90.7 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 48% | 0.481 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -59.1 | -34.9 | -177.1 | -72.8 | -9.3 | 0 | 0 | 0 | 112.8 | R485 A490 Y491 | R485-N488 VanDerWaalsContact O-CB 3.23Å; R485-N488 WeakPolarHBondContact O-CB 3.48Å; R485-N488 PolarHBondContact O-N 3.09Å; R485-N488 PolarHBondContact O-ND2 3.31Å; N488-A490 PolarHBondContact O-N 3.34Å; N488-Y491 WeakPolarHBondContact O-CB 3.21Å; N488-Y491 PolarHBondContact O-N 3.41Å; N488-Y491 VanDerWaalsContact O-N 3.15Å |
| 489 | L | 85.8 | Confident | 90.7 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -68.5 | -10.7 | 177 | -66.9 | 175.7 | 0 | 0 | 0 | 113.6 | V105 I106 V145 W487 | V105-L489 HydrophobicContact CG1-CD1 4.02Å; V105-L489 HydrophobicContact CG1-CG 3.88Å; I106-L489 HydrophobicContact CG1-CD1 3.97Å; V145-L489 VanDerWaalsContact CB-O 3.3Å; V145-L489 WeakPolarHBondContact CB-O 3.32Å; V145-L489 WeakPolarHBondContact CG2-O 3.5Å; W487-L489 PolarHBondContact O-N 3.18Å |
| 490 | A | 89.3 | Confident | 90.8 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 26% | 0.256 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -120.1 | 14.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V145 W487 N488 G492 V493 Y494 | V145-A490 HydrophobicContact CG2-CB 4.39Å; W487-A490 CarbonylContact O-C 3.56Å; W487-A490 WeakPolarHBondContact O-CA 3.49Å; W487-A490 PolarHBondContact O-N 3.29Å; N488-A490 PolarHBondContact O-N 3.34Å; A490-G492 VanDerWaalsContact C-N 3.26Å; A490-G492 PolarHBondContact O-N 2.9Å; A490-V493 WeakPolarHBondContact O-CB 3.35Å; A490-V493 PolarHBondContact O-N 2.89Å; A490-Y494 HydrophobicContact CB-CE2 4.37Å; A490-Y494 WeakPolarHBondContact O-CD2 3.27Å; A490-Y494 PolarHBondContact O-N 2.86Å |
| 491 | Y | 92.1 | Very high | 90.9 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 13% | 0.125 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -35.8 | -172.7 | -172 | -109.7 | 0 | 0 | 0 | 113.2 | M480 M483 W487 N488 V493 Y494 K495 E503 | M480-Y491 HydrophobicContact CE-CE2 4.11Å; M483-Y491 HydrophobicContact SD-CD2 4.43Å; M483-Y491 HydrophobicContact SD-CE2 4.41Å; W487-Y491 PolarHBondContact O-N 2.83Å; W487-Y491 VanDerWaalsContact O-N 3.16Å; N488-Y491 WeakPolarHBondContact O-CB 3.21Å; N488-Y491 PolarHBondContact O-N 3.41Å; N488-Y491 VanDerWaalsContact O-N 3.15Å; Y491-V493 VanDerWaalsContact C-N 3.28Å; Y491-V493 PolarHBondContact O-N 2.99Å; Y491-Y494 WeakPolarHBondContact O-CA 3.39Å; Y491-Y494 WeakPolarHBondContact O-CB 3.35Å; Y491-Y494 PolarHBondContact O-N 3.13Å; Y491-K495 HydrophobicContact CD1-CD 4.15Å; Y491-K495 HydrophobicContact CD1-CG 4.19Å; Y491-K495 HydrophobicContact CE1-CD 3.81Å; Y491-K495 HydrophobicContact CE1-CG 3.94Å; Y491-K495 PolarHBondContact O-N 3.46Å; Y491-E503 HydrophobicContact CE1-CG 4.31Å |
| 492 | G | 94.8 | Very high | 91 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.8 | -38.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E147 G149 A490 Y494 K495 V496 | E147-G492 WeakPolarHBondContact O-CA 3.47Å; G149-G492 WeakPolarHBondContact CA-O 3.42Å; A490-G492 VanDerWaalsContact C-N 3.26Å; A490-G492 PolarHBondContact O-N 2.9Å; G492-Y494 VanDerWaalsContact C-N 3.32Å; G492-Y494 PolarHBondContact O-N 3.37Å; G492-K495 WeakPolarHBondContact O-CB 3.17Å; G492-K495 PolarHBondContact O-N 3.38Å; G492-V496 PolarHBondContact O-N 2.87Å; G492-V496 VanDerWaalsContact O-N 3.15Å |
| 493 | V | 95.6 | Very high | 91.1 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.9 | -37.1 | 175.6 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | V145 A174 M178 A490 Y491 V496 R497 | V145-V493 HydrophobicContact CG1-CG2 3.75Å; A174-V493 HydrophobicContact CB-CG1 4.36Å; A174-V493 HydrophobicContact CB-CG2 4.2Å; M178-V493 HydrophobicContact CG-CG1 3.96Å; M178-V493 HydrophobicContact SD-CG1 3.65Å; A490-V493 WeakPolarHBondContact O-CB 3.35Å; A490-V493 PolarHBondContact O-N 2.89Å; Y491-V493 VanDerWaalsContact C-N 3.28Å; Y491-V493 PolarHBondContact O-N 2.99Å; V493-V496 PolarHBondContact O-N 3.35Å; V493-R497 HydrophobicContact CG1-CG 4.36Å; V493-R497 WeakPolarHBondContact O-CD 3.46Å; V493-R497 VanDerWaalsContact O-CG 3.23Å; V493-R497 WeakPolarHBondContact O-CG 3.32Å; V493-R497 PolarHBondContact O-N 3.38Å |
| 494 | Y | 95.2 | Very high | 91.5 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 13% | 0.125 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 173.7 | -70.9 | -81.2 | 0 | 0 | 0 | 112.1 | M483 W487 A490 Y491 G492 V496 R497 F498 | M483-Y494 HydrophobicContact CE-CD1 3.74Å; M483-Y494 HydrophobicContact CE-CE1 4.4Å; M483-Y494 HydrophobicContact CE-CG 4.02Å; M483-Y494 HydrophobicContact SD-CD1 3.97Å; M483-Y494 HydrophobicContact SD-CD2 4.21Å; M483-Y494 HydrophobicContact SD-CE1 4.4Å; M483-Y494 HydrophobicContact SD-CG 3.86Å; W487-Y494 HydrophobicContact CB-CE2 3.82Å; W487-Y494 HydrophobicContact CD2-CE2 4.21Å; W487-Y494 AromaticContact CD2-CZ 3.77Å; W487-Y494 VanDerWaalsContact CD2-OH 3.23Å; W487-Y494 AromaticContact CE3-CE1 3.81Å; W487-Y494 HydrophobicContact CE3-CE1 3.81Å; W487-Y494 HydrophobicContact CE3-CE2 4.05Å; W487-Y494 AromaticContact CE3-CZ 3.43Å; W487-Y494 VanDerWaalsContact CE3-CZ 3.43Å; W487-Y494 VanDerWaalsContact CE3-OH 3.25Å; W487-Y494 HydrophobicContact CG-CE2 4.16Å; W487-Y494 HydrophobicContact CZ3-CE1 4.03Å; A490-Y494 HydrophobicContact CB-CE2 4.37Å; A490-Y494 WeakPolarHBondContact O-CD2 3.27Å; A490-Y494 PolarHBondContact O-N 2.86Å; Y491-Y494 WeakPolarHBondContact O-CA 3.39Å; Y491-Y494 WeakPolarHBondContact O-CB 3.35Å; Y491-Y494 PolarHBondContact O-N 3.13Å; G492-Y494 VanDerWaalsContact C-N 3.32Å; G492-Y494 PolarHBondContact O-N 3.37Å; Y494-V496 VanDerWaalsContact C-N 3.3Å; Y494-V496 PolarHBondContact O-N 2.88Å; Y494-R497 PolarHBondContact O-N 3.43Å; Y494-R497 VanDerWaalsContact O-N 3.13Å; Y494-F498 HydrophobicContact CD1-CE2 4.34Å; Y494-F498 WeakPolarHBondContact O-CB 3.46Å; Y494-F498 VanDerWaalsContact O-CD2 3.32Å; Y494-F498 WeakPolarHBondContact O-CD2 3.27Å; Y494-F498 PolarHBondContact O-N 2.94Å |
| 495 | K | 96.5 | Very high | 92.2 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 173.7 | -67.1 | -166.4 | -80.6 | -165.7 | 0 | 112.2 | E147 M480 Y491 G492 G499 A500 S501 E503 | E147-K495 WeakPolarHBondContact O-CE 3.29Å; E147-K495 PolarHBondContact O-NZ 2.98Å; E147-K495 IonicContact OE1-NZ 2.88Å; E147-K495 PolarHBondContact OE1-NZ 3.31Å; M480-K495 HydrophobicContact CE-CG 4.04Å; Y491-K495 HydrophobicContact CD1-CD 4.15Å; Y491-K495 HydrophobicContact CD1-CG 4.19Å; Y491-K495 HydrophobicContact CE1-CD 3.81Å; Y491-K495 HydrophobicContact CE1-CG 3.94Å; Y491-K495 PolarHBondContact O-N 3.46Å; G492-K495 WeakPolarHBondContact O-CB 3.17Å; G492-K495 PolarHBondContact O-N 3.38Å; K495-G499 CarbonylContact O-C 3.54Å; K495-G499 WeakPolarHBondContact O-CA 3.48Å; K495-G499 PolarHBondContact O-N 2.85Å; K495-A500 WeakPolarHBondContact CA-O 3.42Å; K495-A500 PolarHBondContact O-N 3.45Å; K495-S501 WeakPolarHBondContact CD-OG 3.43Å; K495-E503 IonicContact NZ-OE2 3.77Å; K495-E503 PolarHBondContact NZ-OE2 3.47Å |
| 496 | V | 97.4 | Very high | 93 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 30% | 0.297 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 174.4 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | D148 A174 F412 G492 V493 Y494 F498 G499 | D148-V496 WeakPolarHBondContact O-CG2 3.34Å; A174-V496 HydrophobicContact CB-CB 4.23Å; A174-V496 HydrophobicContact CB-CG1 4Å; A174-V496 HydrophobicContact CB-CG2 4.4Å; F412-V496 HydrophobicContact CD2-CG1 3.63Å; F412-V496 HydrophobicContact CE2-CG1 4.02Å; F412-V496 HydrophobicContact CG-CG1 4.28Å; G492-V496 PolarHBondContact O-N 2.87Å; G492-V496 VanDerWaalsContact O-N 3.15Å; V493-V496 PolarHBondContact O-N 3.35Å; Y494-V496 VanDerWaalsContact C-N 3.3Å; Y494-V496 PolarHBondContact O-N 2.88Å; V496-F498 PolarHBondContact O-N 3.43Å; V496-G499 PolarHBondContact O-N 3.34Å; V496-G499 VanDerWaalsContact O-N 3.17Å |
| 497 | R | 96.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | -178.1 | -70.2 | 164.8 | 66.9 | -164.1 | -2.4 | 113 | M178 N371 F412 G413 V493 Y494 G499 | M178-R497 HydrophobicContact CE-CG 4.46Å; M178-R497 HydrophobicContact SD-CG 4.16Å; N371-R497 PolarHBondContact OD1-NE 2.87Å; N371-R497 PolarHBondContact OD1-NH2 3.4Å; F412-R497 HydrophobicContact CD1-CG 4.08Å; F412-R497 HydrophobicContact CE1-CG 3.9Å; F412-R497 HydrophobicContact CZ-CG 4.48Å; G413-R497 PolarHBondContact N-O 3.22Å; V493-R497 HydrophobicContact CG1-CG 4.36Å; V493-R497 WeakPolarHBondContact O-CD 3.46Å; V493-R497 VanDerWaalsContact O-CG 3.23Å; V493-R497 WeakPolarHBondContact O-CG 3.32Å; V493-R497 PolarHBondContact O-N 3.38Å; Y494-R497 PolarHBondContact O-N 3.43Å; Y494-R497 VanDerWaalsContact O-N 3.13Å; R497-G499 VanDerWaalsContact C-N 3.33Å |
| 498 | F | 96.9 | Very high | 94.9 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.5 | -17 | 175.6 | -81.6 | -103.6 | 0 | 0 | 0 | 112.6 | W415 L476 T479 M480 M483 Y494 V496 A500 F510 L511 | W415-F498 HydrophobicContact CE3-CE1 4.4Å; W415-F498 HydrophobicContact CH2-CE1 4.27Å; W415-F498 AromaticContact CH2-CZ 3.9Å; W415-F498 HydrophobicContact CH2-CZ 3.9Å; W415-F498 HydrophobicContact CZ2-CE1 4.42Å; W415-F498 HydrophobicContact CZ2-CE2 4.32Å; W415-F498 AromaticContact CZ2-CZ 3.98Å; W415-F498 HydrophobicContact CZ2-CZ 3.98Å; W415-F498 HydrophobicContact CZ3-CE1 4.26Å; W415-F498 HydrophobicContact CZ3-CZ 4.33Å; L476-F498 HydrophobicContact CB-CE1 4.37Å; L476-F498 HydrophobicContact CD1-CD1 4.26Å; L476-F498 HydrophobicContact CD1-CE1 4.3Å; L476-F498 HydrophobicContact CD2-CE1 4.18Å; T479-F498 HydrophobicContact CG2-CZ 4.23Å; M480-F498 HydrophobicContact CG-CD1 4.09Å; M480-F498 HydrophobicContact CG-CE1 4.16Å; M480-F498 HydrophobicContact CG-CG 4.31Å; M480-F498 HydrophobicContact CG-CZ 4.46Å; M480-F498 HydrophobicContact SD-CB 4.05Å; M480-F498 HydrophobicContact SD-CD1 4.1Å; M480-F498 HydrophobicContact SD-CG 4.01Å; M483-F498 HydrophobicContact CE-CD2 4.34Å; M483-F498 HydrophobicContact CE-CE2 3.58Å; M483-F498 HydrophobicContact CE-CZ 3.91Å; Y494-F498 HydrophobicContact CD1-CE2 4.34Å; Y494-F498 WeakPolarHBondContact O-CB 3.46Å; Y494-F498 VanDerWaalsContact O-CD2 3.32Å; Y494-F498 WeakPolarHBondContact O-CD2 3.27Å; Y494-F498 PolarHBondContact O-N 2.94Å; V496-F498 PolarHBondContact O-N 3.43Å; F498-A500 PolarHBondContact O-N 2.84Å; F498-F510 WeakPolarHBondContact O-CE1 3.41Å; F498-L511 HydrophobicContact CB-CD2 4.24Å; F498-L511 HydrophobicContact CD1-CD2 3.86Å |
| 499 | G | 97 | Very high | 95.6 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 47% | 0.474 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 7.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K495 V496 R497 | K495-G499 CarbonylContact O-C 3.54Å; K495-G499 WeakPolarHBondContact O-CA 3.48Å; K495-G499 PolarHBondContact O-N 2.85Å; V496-G499 PolarHBondContact O-N 3.34Å; V496-G499 VanDerWaalsContact O-N 3.17Å; R497-G499 VanDerWaalsContact C-N 3.33Å |
| 500 | A | 97.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 12% | 0.116 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -156.7 | 166.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M480 K495 F498 F510 L511 | M480-A500 WeakPolarHBondContact CE-O 3.46Å; K495-A500 WeakPolarHBondContact CA-O 3.42Å; K495-A500 PolarHBondContact O-N 3.45Å; F498-A500 PolarHBondContact O-N 2.84Å; A500-F510 HydrophobicContact CB-CB 4.19Å; A500-F510 HydrophobicContact CB-CD1 3.51Å; A500-F510 HydrophobicContact CB-CE1 4.26Å; A500-F510 HydrophobicContact CB-CG 4.14Å; A500-L511 HydrophobicContact CB-CD1 4.39Å; A500-L511 HydrophobicContact CB-CD2 4.07Å; A500-L511 HydrophobicContact CB-CG 3.9Å |
| 501 | S | 95.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | trans | -115.6 | 138.7 | 171 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | K495 E503 G507 K508 | K495-S501 WeakPolarHBondContact CD-OG 3.43Å; S501-E503 PolarHBondContact O-N 2.89Å; S501-E503 VanDerWaalsContact OG-CB 3.3Å; S501-E503 WeakPolarHBondContact OG-CB 3.41Å; S501-E503 WeakPolarHBondContact OG-CG 3.06Å; S501-E503 PolarHBondContact OG-N 2.66Å; S501-E503 PolarHBondContact OG-OE2 3.26Å; S501-E503 VanDerWaalsContact OG-OE2 3.05Å; S501-G507 CarbonylContact O-C 3.56Å; S501-G507 VanDerWaalsContact O-C 3.3Å; S501-G507 WeakPolarHBondContact O-CA 3.38Å; S501-K508 PolarHBondContact O-N 2.91Å | ||
| 502 | A | 95.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -1.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M480 Q481 K508 L511 | M480-A502 HydrophobicContact CB-CB 3.68Å; M480-A502 HydrophobicContact SD-CB 4.35Å; Q481-A502 HydrophobicContact CG-CB 3.94Å; A502-K508 WeakPolarHBondContact O-CE 3.24Å; A502-L511 HydrophobicContact CB-CD1 4Å |
| 503 | E | 94.5 | Very high | 97 | Very high | 113 Ų | 113 | 55 Ų | 55 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -17.8 | 179.4 | -57.5 | 166.2 | 140.8 | 0 | 0 | 112.6 | Y491 K495 S501 | Y491-E503 HydrophobicContact CE1-CG 4.31Å; K495-E503 IonicContact NZ-OE2 3.77Å; K495-E503 PolarHBondContact NZ-OE2 3.47Å; S501-E503 PolarHBondContact O-N 2.89Å; S501-E503 VanDerWaalsContact OG-CB 3.3Å; S501-E503 WeakPolarHBondContact OG-CB 3.41Å; S501-E503 WeakPolarHBondContact OG-CG 3.06Å; S501-E503 PolarHBondContact OG-N 2.66Å; S501-E503 PolarHBondContact OG-OE2 3.26Å; S501-E503 VanDerWaalsContact OG-OE2 3.05Å |
| 504 | T | 96.3 | Very high | 97.1 | Very high | 63 Ų | 63 | 55.1 Ų | 55.1 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -111.8 | 152.4 | 179.2 | 67.4 | 0 | 0 | 0 | 0 | 111 | G507 K508 | T504-G507 PolarHBondContact O-N 3.41Å; T504-G507 PolarHBondContact OG1-N 3.31Å; T504-G507 VanDerWaalsContact OG1-N 3.16Å; T504-K508 WeakPolarHBondContact O-CG 3.45Å; T504-K508 PolarHBondContact O-N 3.32Å |
| 505 | E | 98 | Very high | 97.2 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 179.2 | -68.1 | -56 | 122 | 0 | 0 | 111.6 | G507 K508 I509 | E505-G507 VanDerWaalsContact C-N 3.29Å; E505-G507 PolarHBondContact O-N 3.27Å; E505-K508 PolarHBondContact O-N 3.19Å; E505-K508 IonicContact OE1-NZ 2.87Å; E505-K508 PolarHBondContact OE1-NZ 2.9Å; E505-I509 VanDerWaalsContact O-CG1 3.29Å; E505-I509 WeakPolarHBondContact O-CG1 3.13Å; E505-I509 PolarHBondContact O-N 3.39Å |
| 506 | E | 98 | Very high | 97.3 | Very high | 143 Ų | 143 | 52.3 Ų | 52.3 | 67% | 0.668 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.1 | -40.7 | 175.8 | -61.7 | 73 | -157.9 | 0 | 0 | 111.4 | I509 F510 | E506-I509 PolarHBondContact O-N 3.48Å; E506-F510 PolarHBondContact O-N 3.03Å |
| 507 | G | 97.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S501 T504 E505 I509 F510 L511 | S501-G507 CarbonylContact O-C 3.56Å; S501-G507 VanDerWaalsContact O-C 3.3Å; S501-G507 WeakPolarHBondContact O-CA 3.38Å; T504-G507 PolarHBondContact O-N 3.41Å; T504-G507 PolarHBondContact OG1-N 3.31Å; T504-G507 VanDerWaalsContact OG1-N 3.16Å; E505-G507 VanDerWaalsContact C-N 3.29Å; E505-G507 PolarHBondContact O-N 3.27Å; G507-I509 VanDerWaalsContact C-N 3.33Å; G507-I509 PolarHBondContact O-N 3.18Å; G507-F510 PolarHBondContact O-N 3.43Å; G507-L511 WeakPolarHBondContact O-CB 3.39Å; G507-L511 WeakPolarHBondContact O-CG 3.27Å; G507-L511 PolarHBondContact O-N 2.89Å |
| 508 | K | 98.5 | Very high | 97.4 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 171.4 | -70.8 | 173 | -165.9 | 167.1 | 0 | 112 | I477 S501 A502 T504 E505 F510 L511 W512 | I477-K508 HydrophobicContact CD1-CB 3.95Å; I477-K508 HydrophobicContact CD1-CG 4.32Å; I477-K508 HydrophobicContact CG1-CB 4.46Å; S501-K508 PolarHBondContact O-N 2.91Å; A502-K508 WeakPolarHBondContact O-CE 3.24Å; T504-K508 WeakPolarHBondContact O-CG 3.45Å; T504-K508 PolarHBondContact O-N 3.32Å; E505-K508 PolarHBondContact O-N 3.19Å; E505-K508 IonicContact OE1-NZ 2.87Å; E505-K508 PolarHBondContact OE1-NZ 2.9Å; K508-F510 VanDerWaalsContact C-N 3.33Å; K508-F510 PolarHBondContact O-N 3.17Å; K508-L511 PolarHBondContact O-N 3.4Å; K508-W512 WeakPolarHBondContact O-CB 3.43Å; K508-W512 PolarHBondContact O-N 3.08Å |
| 509 | I | 98.3 | Very high | 97.5 | Very high | 118 Ų | 118 | 56.3 Ų | 56.3 | 61% | 0.605 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.3 | -45.7 | 176.4 | -70.2 | 164.6 | 0 | 0 | 0 | 110.6 | E505 E506 G507 K513 | E505-I509 VanDerWaalsContact O-CG1 3.29Å; E505-I509 WeakPolarHBondContact O-CG1 3.13Å; E505-I509 PolarHBondContact O-N 3.39Å; E506-I509 PolarHBondContact O-N 3.48Å; G507-I509 VanDerWaalsContact C-N 3.33Å; G507-I509 PolarHBondContact O-N 3.18Å; I509-K513 WeakPolarHBondContact O-CB 3.22Å; I509-K513 PolarHBondContact O-N 2.91Å |
| 510 | F | 98 | Very high | 97.5 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 31% | 0.307 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.6 | -51.5 | 176.7 | 176.9 | -89.7 | 0 | 0 | 0 | 111.8 | F498 A500 E506 G507 K508 W512 K513 V514 | F498-F510 WeakPolarHBondContact O-CE1 3.41Å; A500-F510 HydrophobicContact CB-CB 4.19Å; A500-F510 HydrophobicContact CB-CD1 3.51Å; A500-F510 HydrophobicContact CB-CE1 4.26Å; A500-F510 HydrophobicContact CB-CG 4.14Å; E506-F510 PolarHBondContact O-N 3.03Å; G507-F510 PolarHBondContact O-N 3.43Å; K508-F510 VanDerWaalsContact C-N 3.33Å; K508-F510 PolarHBondContact O-N 3.17Å; F510-W512 PolarHBondContact O-N 2.76Å; F510-K513 WeakPolarHBondContact O-CB 3.29Å; F510-K513 PolarHBondContact O-N 3.1Å; F510-K513 VanDerWaalsContact O-N 3.15Å; F510-V514 HydrophobicContact CE1-CG2 4.49Å; F510-V514 PolarHBondContact O-N 2.79Å |
| 511 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | -178.5 | -68.4 | 166.2 | 0 | 0 | 0 | 111.1 | L476 I477 M480 F498 A500 A502 G507 K508 K513 V514 S515 | L476-L511 HydrophobicContact CB-CB 4.08Å; L476-L511 HydrophobicContact CB-CD2 3.89Å; L476-L511 HydrophobicContact CD1-CD2 4.4Å; I477-L511 HydrophobicContact CG1-CB 3.82Å; I477-L511 HydrophobicContact CG1-CD1 4.43Å; M480-L511 HydrophobicContact CG-CD1 4.4Å; M480-L511 HydrophobicContact SD-CD1 3.49Å; M480-L511 WeakPolarHBondContact SD-CD1 3.25Å; M480-L511 HydrophobicContact SD-CD2 3.77Å; M480-L511 HydrophobicContact SD-CG 4.28Å; F498-L511 HydrophobicContact CB-CD2 4.24Å; F498-L511 HydrophobicContact CD1-CD2 3.86Å; A500-L511 HydrophobicContact CB-CD1 4.39Å; A500-L511 HydrophobicContact CB-CD2 4.07Å; A500-L511 HydrophobicContact CB-CG 3.9Å; A502-L511 HydrophobicContact CB-CD1 4Å; G507-L511 WeakPolarHBondContact O-CB 3.39Å; G507-L511 WeakPolarHBondContact O-CG 3.27Å; G507-L511 PolarHBondContact O-N 2.89Å; K508-L511 PolarHBondContact O-N 3.4Å; L511-K513 VanDerWaalsContact C-N 3.33Å; L511-K513 PolarHBondContact O-N 2.69Å; L511-V514 WeakPolarHBondContact O-CG2 3.37Å; L511-V514 PolarHBondContact O-N 2.96Å; L511-S515 PolarHBondContact O-N 3.39Å; L511-S515 PolarHBondContact O-OG 2.78Å |
| 512 | W | 98 | Very high | 97.6 | Very high | 101 Ų | 101 | 59.1 Ų | 59.1 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 176.9 | -177.6 | -121 | 0 | 0 | 0 | 112.7 | I477 K508 F510 V514 S515 L517 R518 | I477-W512 HydrophobicContact CD1-CB 3.92Å; K508-W512 WeakPolarHBondContact O-CB 3.43Å; K508-W512 PolarHBondContact O-N 3.08Å; F510-W512 PolarHBondContact O-N 2.76Å; W512-V514 PolarHBondContact O-N 3.4Å; W512-S515 WeakPolarHBondContact O-CB 3.23Å; W512-S515 PolarHBondContact O-N 2.79Å; W512-L517 HydrophobicContact CH2-CB 4.43Å; W512-L517 HydrophobicContact CH2-CD2 4.31Å; W512-L517 HydrophobicContact CH2-CG 4.14Å; W512-L517 HydrophobicContact CZ3-CB 4.27Å; W512-L517 HydrophobicContact CZ3-CD2 4.14Å; W512-L517 HydrophobicContact CZ3-CG 4.26Å; W512-R518 HydrophobicContact CD2-CB 4.2Å; W512-R518 HydrophobicContact CD2-CG 4.34Å; W512-R518 HydrophobicContact CH2-CB 4.08Å; W512-R518 HydrophobicContact CZ2-CB 3.7Å; W512-R518 HydrophobicContact CZ2-CG 3.73Å; W512-R518 HydrophobicContact CZ3-CB 4.48Å; W512-R518 WeakPolarHBondContact O-CD 3.38Å |
| 513 | K | 97.3 | Very high | 97.7 | Very high | 132 Ų | 132 | 59 Ų | 59 | 57% | 0.574 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -56.5 | -35.7 | 179.7 | 178.8 | -173.9 | 172.8 | -170.8 | 0 | 112 | Y459 I509 F510 L511 R518 | Y459-K513 PolarHBondContact OH-O 2.66Å; I509-K513 WeakPolarHBondContact O-CB 3.22Å; I509-K513 PolarHBondContact O-N 2.91Å; F510-K513 WeakPolarHBondContact O-CB 3.29Å; F510-K513 PolarHBondContact O-N 3.1Å; F510-K513 VanDerWaalsContact O-N 3.15Å; L511-K513 VanDerWaalsContact C-N 3.33Å; L511-K513 PolarHBondContact O-N 2.69Å; K513-R518 PolarHBondContact O-NE 2.9Å |
| 514 | V | 97 | Very high | 97.8 | Very high | 15 Ų | 15 | 63 Ų | 63 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -99.8 | -4.8 | -178.9 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | Y455 L476 F510 L511 W512 P516 | Y455-V514 WeakPolarHBondContact CD2-O 3.35Å; Y455-V514 WeakPolarHBondContact CE2-O 3.2Å; L476-V514 HydrophobicContact CD1-CG2 3.64Å; F510-V514 HydrophobicContact CE1-CG2 4.49Å; F510-V514 PolarHBondContact O-N 2.79Å; L511-V514 WeakPolarHBondContact O-CG2 3.37Å; L511-V514 PolarHBondContact O-N 2.96Å; W512-V514 PolarHBondContact O-N 3.4Å; V514-P516 WeakPolarHBondContact O-CD 3.46Å |
| 515 | S | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -63.3 | 127.9 | 174.1 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | Y459 S474 D475 L476 L511 W512 L517 R518 | Y459-S515 PolarHBondContact OH-O 2.73Å; S474-S515 WeakPolarHBondContact O-CB 3.41Å; D475-S515 PolarHBondContact OD1-OG 2.78Å; L476-S515 PolarHBondContact N-OG 3.48Å; L511-S515 PolarHBondContact O-N 3.39Å; L511-S515 PolarHBondContact O-OG 2.78Å; W512-S515 WeakPolarHBondContact O-CB 3.23Å; W512-S515 PolarHBondContact O-N 2.79Å; S515-L517 PolarHBondContact O-N 2.78Å; S515-R518 WeakPolarHBondContact O-CB 3.11Å; S515-R518 PolarHBondContact O-N 3.33Å | ||
| 516 | P | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -55.6 | -37 | 171.5 | -28.5 | 34.3 | 0 | 0 | 0 | 113.6 | F451 L454 Y455 S474 V514 R518 Q519 A520 | F451-P516 HydrophobicContact CD2-CG 3.84Å; F451-P516 VanDerWaalsContact CE2-CD 3.47Å; F451-P516 HydrophobicContact CE2-CG 3.91Å; L454-P516 HydrophobicContact CB-CB 3.6Å; L454-P516 HydrophobicContact CB-CG 3.88Å; Y455-P516 HydrophobicContact CD2-CG 4.4Å; S474-P516 VanDerWaalsContact O-CD 3.27Å; S474-P516 WeakPolarHBondContact O-CD 3.49Å; V514-P516 WeakPolarHBondContact O-CD 3.46Å; P516-R518 PolarHBondContact O-N 2.87Å; P516-R518 VanDerWaalsContact O-N 3.13Å; P516-Q519 CarbonylContact O-C 3.53Å; P516-Q519 PolarHBondContact O-N 3.1Å; P516-A520 PolarHBondContact O-N 2.9Å |
| 517 | L | 98.3 | Very high | 97.8 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -54.2 | -35.4 | 179.9 | -178.4 | 60.7 | 0 | 0 | 0 | 112.5 | S474 D475 W512 S515 Q519 A520 A545 M546 A549 | S474-L517 VanDerWaalsContact O-CB 3.23Å; S474-L517 WeakPolarHBondContact O-CB 3.32Å; S474-L517 PolarHBondContact O-N 2.94Å; D475-L517 HydrophobicContact CB-CD2 3.97Å; W512-L517 HydrophobicContact CH2-CB 4.43Å; W512-L517 HydrophobicContact CH2-CD2 4.31Å; W512-L517 HydrophobicContact CH2-CG 4.14Å; W512-L517 HydrophobicContact CZ3-CB 4.27Å; W512-L517 HydrophobicContact CZ3-CD2 4.14Å; W512-L517 HydrophobicContact CZ3-CG 4.26Å; S515-L517 PolarHBondContact O-N 2.78Å; L517-Q519 PolarHBondContact O-N 3.23Å; L517-A520 WeakPolarHBondContact O-CB 3.38Å; L517-A520 PolarHBondContact O-N 2.87Å; L517-A545 HydrophobicContact CD1-CB 4.37Å; L517-A545 WeakPolarHBondContact CD1-O 2.94Å; L517-A545 HydrophobicContact CD2-CB 3.94Å; L517-M546 HydrophobicContact CB-SD 4.49Å; L517-M546 HydrophobicContact CD1-CB 4.38Å; L517-M546 HydrophobicContact CD1-SD 4.03Å; L517-A549 HydrophobicContact CD1-CB 3.88Å |
| 518 | R | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 38% | 0.377 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -60.8 | -31.4 | 179.1 | -170.5 | 178.5 | 84.9 | 99.5 | 1 | 113.2 | Y459 W512 K513 S515 P516 | Y459-R518 PolarHBondContact OH-NE 2.95Å; W512-R518 HydrophobicContact CD2-CB 4.2Å; W512-R518 HydrophobicContact CD2-CG 4.34Å; W512-R518 HydrophobicContact CH2-CB 4.08Å; W512-R518 HydrophobicContact CZ2-CB 3.7Å; W512-R518 HydrophobicContact CZ2-CG 3.73Å; W512-R518 HydrophobicContact CZ3-CB 4.48Å; W512-R518 WeakPolarHBondContact O-CD 3.38Å; K513-R518 PolarHBondContact O-NE 2.9Å; S515-R518 WeakPolarHBondContact O-CB 3.11Å; S515-R518 PolarHBondContact O-N 3.33Å; P516-R518 PolarHBondContact O-N 2.87Å; P516-R518 VanDerWaalsContact O-N 3.13Å |
| 519 | Q | 97.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -114 | 22.2 | -177.2 | -65 | -66.2 | -14.2 | 0 | 0 | 112.1 | A458 Y459 P516 L517 S521 N522 | A458-Q519 HydrophobicContact CB-CB 3.96Å; Y459-Q519 HydrophobicContact CD1-CG 4.23Å; Y459-Q519 HydrophobicContact CD2-CB 4.28Å; Y459-Q519 HydrophobicContact CD2-CG 4.33Å; Y459-Q519 HydrophobicContact CE1-CG 3.58Å; Y459-Q519 HydrophobicContact CE2-CB 3.85Å; Y459-Q519 HydrophobicContact CE2-CG 3.69Å; Y459-Q519 VanDerWaalsContact OH-CG 3.29Å; Y459-Q519 WeakPolarHBondContact OH-CG 3.38Å; P516-Q519 CarbonylContact O-C 3.53Å; P516-Q519 PolarHBondContact O-N 3.1Å; L517-Q519 PolarHBondContact O-N 3.23Å; Q519-S521 PolarHBondContact O-N 2.98Å; Q519-S521 VanDerWaalsContact O-N 3.09Å; Q519-N522 WeakPolarHBondContact O-CB 3.41Å; Q519-N522 PolarHBondContact O-N 3.14Å; Q519-N522 PolarHBondContact OE1-ND2 2.98Å |
| 520 | A | 97.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -54.4 | -32.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | P516 L517 N522 V523 M546 A549 | P516-A520 PolarHBondContact O-N 2.9Å; L517-A520 WeakPolarHBondContact O-CB 3.38Å; L517-A520 PolarHBondContact O-N 2.87Å; A520-N522 PolarHBondContact O-N 3.07Å; A520-V523 WeakPolarHBondContact O-CB 3.44Å; A520-V523 WeakPolarHBondContact O-CG2 3.3Å; A520-V523 PolarHBondContact O-N 3.05Å; A520-M546 HydrophobicContact CB-CE 3.82Å; A520-M546 HydrophobicContact CB-SD 3.79Å; A520-A549 HydrophobicContact CB-CB 3.57Å |
| 521 | S | 97.2 | Very high | 97.8 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 53% | 0.531 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -65.5 | -15.8 | 176.9 | 56 | 0 | 0 | 0 | 0 | 114.9 | Q519 | Q519-S521 PolarHBondContact O-N 2.98Å; Q519-S521 VanDerWaalsContact O-N 3.09Å |
| 522 | N | 97.8 | Very high | 97.8 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -85.4 | -13.3 | 174.4 | -64.7 | -20.1 | 0 | 0 | 0 | 112.7 | A458 Q519 A520 R524 | A458-N522 WeakPolarHBondContact O-CB 3.47Å; A458-N522 PolarHBondContact O-ND2 3.17Å; Q519-N522 WeakPolarHBondContact O-CB 3.41Å; Q519-N522 PolarHBondContact O-N 3.14Å; Q519-N522 PolarHBondContact OE1-ND2 2.98Å; A520-N522 PolarHBondContact O-N 3.07Å; N522-R524 WeakPolarHBondContact O-CG 3.18Å; N522-R524 PolarHBondContact O-N 2.89Å |
| 523 | V | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | trans | -70.5 | 103.1 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | L457 A458 A520 L527 M546 L550 T555 | L457-V523 HydrophobicContact CB-CG1 4.11Å; L457-V523 HydrophobicContact CB-CG2 4.3Å; L457-V523 HydrophobicContact CD1-CG1 4.47Å; A458-V523 HydrophobicContact CB-CG2 3.86Å; A520-V523 WeakPolarHBondContact O-CB 3.44Å; A520-V523 WeakPolarHBondContact O-CG2 3.3Å; A520-V523 PolarHBondContact O-N 3.05Å; V523-L527 HydrophobicContact CG1-CD2 4.32Å; V523-M546 HydrophobicContact CG2-CE 4.03Å; V523-L550 HydrophobicContact CB-CD2 3.68Å; V523-L550 HydrophobicContact CG1-CD2 3.9Å; V523-L550 HydrophobicContact CG2-CD2 4.12Å; V523-T555 HydrophobicContact CB-CG2 4.43Å; V523-T555 HydrophobicContact CG1-CG2 3.94Å; V523-T555 WeakPolarHBondContact O-CG2 3.17Å; V523-T555 PolarHBondContact O-OG1 3.31Å | ||
| 524 | R | 95.1 | Very high | 97.3 | Very high | 199 Ų | 199 | 38 Ų | 38 | 75% | 0.751 | 18% | 0.183 | S | C | * | . | trans | -110.3 | -14.6 | -177.9 | -66.3 | 173 | -172.1 | -144.2 | 2 | 113.7 | N522 | N522-R524 WeakPolarHBondContact O-CG 3.18Å; N522-R524 PolarHBondContact O-N 2.89Å | ||
| 525 | K | 97.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 38 Ų | 38 | 21% | 0.213 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -88.2 | 149.4 | -177.6 | -60 | -67.6 | -171.1 | 171.4 | 0 | 110.3 | L457 P461 Y464 L527 | L457-K525 HydrophobicContact CD2-CB 4.19Å; P461-K525 VanDerWaalsContact O-CE 3.28Å; P461-K525 WeakPolarHBondContact O-CE 3.42Å; P461-K525 WeakPolarHBondContact O-CG 3.34Å; Y464-K525 WeakPolarHBondContact O-CD 3.28Å; Y464-K525 VanDerWaalsContact O-CE 3.25Å; Y464-K525 WeakPolarHBondContact O-CE 3.49Å; Y464-K525 VanDerWaalsContact O-CG 3.3Å; Y464-K525 WeakPolarHBondContact O-CG 3.11Å; K525-L527 PolarHBondContact O-N 3.48Å |
| 526 | P | 97.5 | Very high | 96.6 | Very high | 40 Ų | 40 | 43 Ų | 43 | 26% | 0.26 | 21% | 0.21 | S | C | . | . | trans | -50.8 | 134.6 | 172.7 | -29.1 | 35.7 | 0 | 0 | 0 | 112.9 | Q465 C466 G467 N556 L585 | Q465-P526 WeakPolarHBondContact O-CD 3.41Å; C466-P526 CarbonylContact C-O 3.56Å; C466-P526 WeakPolarHBondContact CA-O 3.38Å; C466-P526 HydrophobicContact CB-CB 4.14Å; C466-P526 VanDerWaalsContact CB-O 3.28Å; C466-P526 WeakPolarHBondContact CB-O 3.36Å; G467-P526 PolarHBondContact N-O 3.06Å; P526-N556 WeakPolarHBondContact CA-O 3.47Å; P526-L585 HydrophobicContact CB-CD1 3.7Å | ||
| 527 | L | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.8 | -177.2 | 173.1 | 60.1 | 0 | 0 | 0 | 110.8 | L454 L457 G467 A469 V523 K525 I529 L550 N556 F557 T558 | L454-L527 HydrophobicContact CD2-CD1 4.24Å; L454-L527 HydrophobicContact CD2-CD2 3.78Å; L457-L527 HydrophobicContact CD1-CB 4.33Å; L457-L527 HydrophobicContact CD1-CD1 3.86Å; L457-L527 HydrophobicContact CD1-CD2 4.49Å; L457-L527 HydrophobicContact CD1-CG 4.44Å; G467-L527 CarbonylContact O-C 3.48Å; G467-L527 WeakPolarHBondContact O-CA 3.44Å; G467-L527 WeakPolarHBondContact O-CD1 3.48Å; A469-L527 HydrophobicContact CB-CD1 4.26Å; V523-L527 HydrophobicContact CG1-CD2 4.32Å; K525-L527 PolarHBondContact O-N 3.48Å; L527-I529 HydrophobicContact CD1-CG1 4.26Å; L527-I529 HydrophobicContact CD2-CD1 3.81Å; L527-I529 HydrophobicContact CD2-CG1 3.74Å; L527-I529 HydrophobicContact CG-CD1 4.38Å; L527-I529 HydrophobicContact CG-CG1 3.77Å; L527-L550 HydrophobicContact CD2-CD1 3.76Å; L527-N556 PolarHBondContact N-O 2.65Å; L527-F557 HydrophobicContact CB-CB 4Å; L527-F557 CarbonylContact O-C 3.5Å; L527-F557 WeakPolarHBondContact O-CA 3.3Å; L527-F557 VanDerWaalsContact O-CB 3.31Å; L527-F557 WeakPolarHBondContact O-CB 3.49Å; L527-T558 PolarHBondContact O-N 3.36Å |
| 528 | L | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.1 | 162.3 | -172.8 | 163.6 | 0 | 0 | 0 | 108.1 | G467 V468 A469 A530 T558 M560 Y578 M581 I582 L585 | G467-L528 PolarHBondContact O-N 2.97Å; V468-L528 CarbonylContact C-O 3.21Å; V468-L528 WeakPolarHBondContact CA-O 3.5Å; V468-L528 HydrophobicContact CG1-CD2 4.17Å; V468-L528 HydrophobicContact CG2-CB 4.34Å; A469-L528 PolarHBondContact N-O 2.8Å; L528-A530 HydrophobicContact CD2-CB 3.96Å; L528-T558 HydrophobicContact CG-CG2 4.38Å; L528-M560 HydrophobicContact CD1-SD 3.9Å; L528-M560 HydrophobicContact CD2-SD 3.95Å; L528-M560 HydrophobicContact CG-SD 4.09Å; L528-Y578 HydrophobicContact CD2-CD2 4.29Å; L528-Y578 HydrophobicContact CD2-CE2 3.79Å; L528-M581 HydrophobicContact CD1-CB 3.68Å; L528-I582 HydrophobicContact CD1-CG1 4.34Å; L528-L585 HydrophobicContact CB-CD2 3.9Å |
| 529 | I | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.5 | 171.2 | -56 | 178.4 | 0 | 0 | 0 | 108.3 | A469 L527 T543 M546 L550 F557 T558 M560 | A469-I529 WeakPolarHBondContact O-CA 3.46Å; L527-I529 HydrophobicContact CD1-CG1 4.26Å; L527-I529 HydrophobicContact CD2-CD1 3.81Å; L527-I529 HydrophobicContact CD2-CG1 3.74Å; L527-I529 HydrophobicContact CG-CD1 4.38Å; L527-I529 HydrophobicContact CG-CG1 3.77Å; I529-T543 HydrophobicContact CG2-CG2 3.49Å; I529-T543 VanDerWaalsContact CG2-CG2 3.49Å; I529-M546 HydrophobicContact CD1-CG 4.08Å; I529-L550 HydrophobicContact CD1-CD1 3.57Å; I529-F557 HydrophobicContact CD1-CD2 4.36Å; I529-T558 PolarHBondContact N-O 2.97Å; I529-M560 PolarHBondContact O-N 2.75Å |
| 530 | A | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | A469 E470 C471 L528 M560 F562 Y578 | A469-A530 PolarHBondContact O-N 3.17Å; E470-A530 CarbonylContact C-O 3.51Å; E470-A530 WeakPolarHBondContact CA-O 3.47Å; C471-A530 PolarHBondContact N-O 2.89Å; L528-A530 HydrophobicContact CD2-CB 3.96Å; A530-M560 CarbonylContact C-O 3.56Å; A530-M560 WeakPolarHBondContact CA-O 3.35Å; A530-M560 HydrophobicContact CB-CB 4.23Å; A530-F562 HydrophobicContact CB-CE2 4.41Å; A530-Y578 HydrophobicContact CB-CD2 3.82Å; A530-Y578 HydrophobicContact CB-CE2 3.4Å |
| 531 | H | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 140.7 | 178.3 | -146 | 96.1 | 0 | 0 | 0 | 111.7 | C471 D535 V538 T543 M560 V561 F562 | C471-H531 WeakPolarHBondContact CA-ND1 3.43Å; H531-D535 IonicContact CE1-OD2 2.65Å; H531-D535 IonicContact NE2-OD2 3.49Å; H531-D535 PolarHBondContact NE2-OD2 2.96Å; H531-V538 PolarHBondContact CE1-O 3.15Å; H531-V538 PolarHBondContact NE2-O 2.74Å; H531-T543 HydrophobicContact CB-CG2 3.89Å; H531-T543 PolarHBondContact CE1-OG1 3.21Å; H531-T543 WeakPolarHBondContact ND1-CB 3.48Å; H531-T543 PolarHBondContact ND1-OG1 3.16Å; H531-M560 PolarHBondContact N-O 2.85Å; H531-V561 WeakPolarHBondContact O-CA 3.42Å; H531-F562 PolarHBondContact O-N 2.52Å |
| 532 | G | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 124.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | M534 D535 E565 G566 | G532-M534 PolarHBondContact O-N 2.84Å; G532-M534 VanDerWaalsContact O-N 3.14Å; G532-D535 WeakPolarHBondContact O-CB 3.5Å; G532-D535 PolarHBondContact O-N 3.02Å; G532-E565 CarbonylContact C-O 3.59Å; G532-E565 VanDerWaalsContact CA-O 3.22Å; G532-E565 WeakPolarHBondContact CA-O 3.49Å; G532-G566 WeakPolarHBondContact CA-O 3.49Å |
| 533 | L | 94.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 46% | 0.461 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20 | -173.4 | -169.2 | 60 | 0 | 0 | 0 | 113.3 | D535 V561 F562 P563 E565 | L533-D535 VanDerWaalsContact C-N 3.32Å; L533-V561 HydrophobicContact CB-CG1 4.14Å; L533-V561 HydrophobicContact CD1-CG1 4.4Å; L533-F562 PolarHBondContact N-O 2.9Å; L533-P563 HydrophobicContact CD2-CB 4.39Å; L533-E565 PolarHBondContact N-O 3.45Å |
| 534 | M | 91.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 45.5 Ų | 45.5 | 48% | 0.483 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 13.6 | 177 | -56 | -64.7 | -72.6 | 0 | 0 | 112.7 | Y54 G532 D536 P563 E565 | Y54-M534 HydrophobicContact CE1-CE 4.26Å; G532-M534 PolarHBondContact O-N 2.84Å; G532-M534 VanDerWaalsContact O-N 3.14Å; M534-D536 PolarHBondContact O-N 3.41Å; M534-P563 WeakPolarHBondContact CG-O 3.35Å; M534-E565 WeakPolarHBondContact CA-O 3.3Å; M534-E565 VanDerWaalsContact CB-O 3.3Å; M534-E565 WeakPolarHBondContact CB-O 3.31Å; M534-E565 PolarHBondContact N-O 2.7Å |
| 535 | D | 92.7 | Very high | 95.4 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | trans | -61.6 | 116.2 | 175.6 | -173 | -12.7 | 0 | 0 | 0 | 111.3 | H531 G532 L533 R537 V538 H567 | H531-D535 IonicContact CE1-OD2 2.65Å; H531-D535 IonicContact NE2-OD2 3.49Å; H531-D535 PolarHBondContact NE2-OD2 2.96Å; G532-D535 WeakPolarHBondContact O-CB 3.5Å; G532-D535 PolarHBondContact O-N 3.02Å; L533-D535 VanDerWaalsContact C-N 3.32Å; D535-R537 WeakPolarHBondContact OD1-CA 3.28Å; D535-R537 PolarHBondContact OD1-N 2.98Å; D535-V538 PolarHBondContact OD1-N 3.47Å; D535-H567 WeakPolarHBondContact OD1-CB 3.4Å; D535-H567 IonicContact OD1-CG 3.91Å; D535-H567 IonicContact OD1-ND1 3.17Å; D535-H567 PolarHBondContact OD1-ND1 3.3Å; D535-H567 IonicContact OD2-CE1 2.69Å; D535-H567 IonicContact OD2-CG 2.66Å; D535-H567 IonicContact OD2-ND1 2.79Å; D535-H567 PolarHBondContact OD2-ND1 3.2Å | ||
| 536 | D | 87.7 | Confident | 95.4 | Very high | 105 Ų | 105 | 35.3 Ų | 35.3 | 56% | 0.561 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -93.5 | -3.5 | 179.6 | 67.1 | -14.6 | 0 | 0 | 0 | 113.6 | P484 M534 | P484-D536 WeakPolarHBondContact CB-O 3.41Å; P484-D536 VanDerWaalsContact CD-O 3.26Å; P484-D536 WeakPolarHBondContact CD-O 3.37Å; P484-D536 WeakPolarHBondContact CG-O 3.28Å; M534-D536 PolarHBondContact O-N 3.41Å |
| 537 | R | 89.6 | Confident | 95.5 | Very high | 104 Ų | 104 | 33.9 Ų | 33.9 | 39% | 0.392 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -106.1 | -43.7 | -176.9 | -49.8 | -170.1 | -177 | -144.2 | -3.4 | 112.7 | W487 D535 H567 | W487-R537 HydrophobicContact CH2-CB 4.06Å; W487-R537 HydrophobicContact CH2-CG 4.12Å; W487-R537 HydrophobicContact CZ2-CG 4.16Å; D535-R537 WeakPolarHBondContact OD1-CA 3.28Å; D535-R537 PolarHBondContact OD1-N 2.98Å; R537-H567 HydrophobicContact CG-CB 4.19Å |
| 538 | V | 93.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -122.9 | 107.5 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | P473 H531 D535 S540 | P473-V538 HydrophobicContact CG-CG1 4.3Å; P473-V538 HydrophobicContact CG-CG2 3.86Å; H531-V538 PolarHBondContact CE1-O 3.15Å; H531-V538 PolarHBondContact NE2-O 2.74Å; D535-V538 PolarHBondContact OD1-N 3.47Å; V538-S540 PolarHBondContact O-N 3.23Å |
| 539 | S | 93.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | trans | -51.2 | 128.5 | 177.2 | 176.3 | 0 | 0 | 0 | 0 | 111 | E478 S482 K541 A542 | E478-S539 PolarHBondContact OE1-OG 3.06Å; E478-S539 VanDerWaalsContact OE1-OG 3.05Å; S482-S539 WeakPolarHBondContact OG-CB 3.41Å; S539-K541 PolarHBondContact O-N 3.39Å; S539-K541 WeakPolarHBondContact OG-CB 3.18Å; S539-K541 WeakPolarHBondContact OG-CG 3.45Å; S539-K541 PolarHBondContact OG-N 3.34Å; S539-A542 PolarHBondContact O-N 2.92Å | ||
| 540 | S | 94.5 | Very high | 95.4 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -23.1 | 176 | 70.6 | 0 | 0 | 0 | 0 | 112.3 | V538 A542 T543 D544 | V538-S540 PolarHBondContact O-N 3.23Å; S540-A542 PolarHBondContact O-N 3.33Å; S540-T543 CarbonylContact O-C 3.57Å; S540-T543 WeakPolarHBondContact O-CA 3.45Å; S540-T543 WeakPolarHBondContact O-CB 3.39Å; S540-T543 PolarHBondContact O-N 2.79Å; S540-D544 PolarHBondContact O-N 3.05Å |
| 541 | K | 95.6 | Very high | 95.3 | Very high | 132 Ų | 132 | 43.4 Ų | 43.4 | 57% | 0.574 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -55.2 | -35.4 | 174.9 | -62.5 | 178.9 | -174 | 167.6 | 0 | 113.1 | E478 S539 T543 A545 | E478-K541 WeakPolarHBondContact OE1-CD 3.31Å; S539-K541 PolarHBondContact O-N 3.39Å; S539-K541 WeakPolarHBondContact OG-CB 3.18Å; S539-K541 WeakPolarHBondContact OG-CG 3.45Å; S539-K541 PolarHBondContact OG-N 3.34Å; K541-T543 VanDerWaalsContact C-N 3.32Å; K541-A545 WeakPolarHBondContact O-CB 3.32Å; K541-A545 PolarHBondContact O-N 2.82Å |
| 542 | A | 94.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S474 S539 S540 M546 | S474-A542 VanDerWaalsContact OG-C 3.25Å; S474-A542 PolarHBondContact OG-O 2.84Å; S539-A542 PolarHBondContact O-N 2.92Å; S540-A542 PolarHBondContact O-N 3.33Å; A542-M546 WeakPolarHBondContact O-CB 3.41Å; A542-M546 PolarHBondContact O-N 3.39Å |
| 543 | T | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.7 | -44.9 | 176.9 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | I529 H531 S540 K541 A545 M546 A547 Y559 | I529-T543 HydrophobicContact CG2-CG2 3.49Å; I529-T543 VanDerWaalsContact CG2-CG2 3.49Å; H531-T543 HydrophobicContact CB-CG2 3.89Å; H531-T543 PolarHBondContact CE1-OG1 3.21Å; H531-T543 WeakPolarHBondContact ND1-CB 3.48Å; H531-T543 PolarHBondContact ND1-OG1 3.16Å; S540-T543 CarbonylContact O-C 3.57Å; S540-T543 WeakPolarHBondContact O-CA 3.45Å; S540-T543 WeakPolarHBondContact O-CB 3.39Å; S540-T543 PolarHBondContact O-N 2.79Å; K541-T543 VanDerWaalsContact C-N 3.32Å; T543-A545 PolarHBondContact O-N 3.15Å; T543-M546 PolarHBondContact O-N 2.93Å; T543-A547 WeakPolarHBondContact O-CB 3.44Å; T543-A547 PolarHBondContact O-N 3.29Å; T543-Y559 HydrophobicContact CG2-CE2 3.58Å |
| 544 | D | 96.9 | Very high | 95.1 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 174.3 | -69.3 | -43 | 0 | 0 | 0 | 111.1 | S540 M546 A547 E548 Y559 | S540-D544 PolarHBondContact O-N 3.05Å; D544-M546 VanDerWaalsContact C-N 3.33Å; D544-M546 PolarHBondContact O-N 2.9Å; D544-A547 PolarHBondContact O-N 2.81Å; D544-E548 WeakPolarHBondContact O-CG 3.39Å; D544-E548 PolarHBondContact O-N 3.14Å; D544-Y559 PolarHBondContact OD1-OH 3.18Å |
| 545 | A | 97.7 | Very high | 95.3 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L517 K541 T543 A549 | L517-A545 HydrophobicContact CD1-CB 4.37Å; L517-A545 WeakPolarHBondContact CD1-O 2.94Å; L517-A545 HydrophobicContact CD2-CB 3.94Å; K541-A545 WeakPolarHBondContact O-CB 3.32Å; K541-A545 PolarHBondContact O-N 2.82Å; T543-A545 PolarHBondContact O-N 3.15Å; A545-A549 WeakPolarHBondContact O-CB 3.07Å; A545-A549 PolarHBondContact O-N 3.21Å; A545-A549 VanDerWaalsContact O-N 3.08Å |
| 546 | M | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 174.3 | -171 | 65.2 | -178.4 | 0 | 0 | 111.2 | L454 L517 A520 V523 I529 A542 T543 D544 E548 A549 L550 | L454-M546 HydrophobicContact CD1-CG 4.25Å; L454-M546 HydrophobicContact CD2-CE 4.26Å; L517-M546 HydrophobicContact CB-SD 4.49Å; L517-M546 HydrophobicContact CD1-CB 4.38Å; L517-M546 HydrophobicContact CD1-SD 4.03Å; A520-M546 HydrophobicContact CB-CE 3.82Å; A520-M546 HydrophobicContact CB-SD 3.79Å; V523-M546 HydrophobicContact CG2-CE 4.03Å; I529-M546 HydrophobicContact CD1-CG 4.08Å; A542-M546 WeakPolarHBondContact O-CB 3.41Å; A542-M546 PolarHBondContact O-N 3.39Å; T543-M546 PolarHBondContact O-N 2.93Å; D544-M546 VanDerWaalsContact C-N 3.33Å; D544-M546 PolarHBondContact O-N 2.9Å; M546-E548 VanDerWaalsContact C-N 3.34Å; M546-E548 PolarHBondContact O-N 2.9Å; M546-A549 PolarHBondContact O-N 3.16Å; M546-A549 VanDerWaalsContact O-N 3.17Å; M546-L550 HydrophobicContact CE-CD1 4.31Å; M546-L550 HydrophobicContact CE-CD2 4.1Å; M546-L550 HydrophobicContact CE-CG 4.24Å; M546-L550 HydrophobicContact CG-CD1 4.12Å; M546-L550 HydrophobicContact CG-CG 4.45Å; M546-L550 VanDerWaalsContact O-CG 3.26Å; M546-L550 WeakPolarHBondContact O-CG 3.45Å; M546-L550 PolarHBondContact O-N 3.16Å |
| 547 | A | 97.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58 | -46.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T543 D544 A549 L550 V551 F557 Y559 | T543-A547 WeakPolarHBondContact O-CB 3.44Å; T543-A547 PolarHBondContact O-N 3.29Å; D544-A547 PolarHBondContact O-N 2.81Å; A547-A549 VanDerWaalsContact C-N 3.32Å; A547-A549 PolarHBondContact O-N 2.88Å; A547-L550 PolarHBondContact O-N 3.17Å; A547-V551 WeakPolarHBondContact O-CG2 3.28Å; A547-V551 PolarHBondContact O-N 2.82Å; A547-F557 HydrophobicContact CB-CE2 3.87Å; A547-F557 HydrophobicContact CB-CZ 4.01Å; A547-Y559 HydrophobicContact CB-CD2 3.81Å; A547-Y559 HydrophobicContact CB-CE2 3.76Å; A547-Y559 HydrophobicContact CB-CG 4.5Å |
| 548 | E | 97.8 | Very high | 96.3 | Very high | 116 Ų | 116 | 41.3 Ų | 41.3 | 54% | 0.542 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.9 | -41.8 | 175.4 | -75.2 | -173.6 | -164.4 | 0 | 0 | 113.1 | D544 M546 K552 | D544-E548 WeakPolarHBondContact O-CG 3.39Å; D544-E548 PolarHBondContact O-N 3.14Å; M546-E548 VanDerWaalsContact C-N 3.34Å; M546-E548 PolarHBondContact O-N 2.9Å; E548-K552 VanDerWaalsContact O-CG 3.3Å; E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 3.49Å; E548-K552 VanDerWaalsContact O-N 3.14Å; E548-K552 IonicContact OE2-NZ 2.96Å |
| 549 | A | 98 | Very high | 96.5 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.5 | -39.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L517 A520 A545 M546 A547 K552 S553 | L517-A549 HydrophobicContact CD1-CB 3.88Å; A520-A549 HydrophobicContact CB-CB 3.57Å; A545-A549 WeakPolarHBondContact O-CB 3.07Å; A545-A549 PolarHBondContact O-N 3.21Å; A545-A549 VanDerWaalsContact O-N 3.08Å; M546-A549 PolarHBondContact O-N 3.16Å; M546-A549 VanDerWaalsContact O-N 3.17Å; A547-A549 VanDerWaalsContact C-N 3.32Å; A547-A549 PolarHBondContact O-N 2.88Å; A549-K552 PolarHBondContact O-N 2.8Å; A549-S553 PolarHBondContact O-N 2.94Å; A549-S553 VanDerWaalsContact O-N 3.09Å; A549-S553 PolarHBondContact O-OG 2.86Å |
| 550 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -37 | 176.6 | -68.3 | 173.5 | 0 | 0 | 0 | 112.9 | V523 L527 I529 M546 A547 K552 S553 G554 T555 F557 | V523-L550 HydrophobicContact CB-CD2 3.68Å; V523-L550 HydrophobicContact CG1-CD2 3.9Å; V523-L550 HydrophobicContact CG2-CD2 4.12Å; L527-L550 HydrophobicContact CD2-CD1 3.76Å; I529-L550 HydrophobicContact CD1-CD1 3.57Å; M546-L550 HydrophobicContact CE-CD1 4.31Å; M546-L550 HydrophobicContact CE-CD2 4.1Å; M546-L550 HydrophobicContact CE-CG 4.24Å; M546-L550 HydrophobicContact CG-CD1 4.12Å; M546-L550 HydrophobicContact CG-CG 4.45Å; M546-L550 VanDerWaalsContact O-CG 3.26Å; M546-L550 WeakPolarHBondContact O-CG 3.45Å; M546-L550 PolarHBondContact O-N 3.16Å; A547-L550 PolarHBondContact O-N 3.17Å; L550-K552 VanDerWaalsContact C-N 3.33Å; L550-S553 WeakPolarHBondContact CA-OG 3.47Å; L550-S553 PolarHBondContact O-N 3.33Å; L550-S553 PolarHBondContact O-OG 3.43Å; L550-G554 PolarHBondContact O-N 2.91Å; L550-G554 VanDerWaalsContact O-N 3.12Å; L550-T555 HydrophobicContact CD2-CG2 3.99Å; L550-T555 PolarHBondContact O-N 2.84Å; L550-F557 HydrophobicContact CB-CD1 3.77Å; L550-F557 HydrophobicContact CB-CE1 3.63Å; L550-F557 HydrophobicContact CB-CG 4.39Å; L550-F557 HydrophobicContact CB-CZ 4.14Å; L550-F557 HydrophobicContact CD1-CD1 4.29Å; L550-F557 HydrophobicContact CD1-CD2 4.19Å; L550-F557 HydrophobicContact CD1-CG 4.09Å |
| 551 | V | 97.2 | Very high | 96.8 | Very high | 64 Ų | 64 | 40 Ų | 40 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 171.7 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | A547 S553 G554 F557 Y611 | A547-V551 WeakPolarHBondContact O-CG2 3.28Å; A547-V551 PolarHBondContact O-N 2.82Å; V551-S553 VanDerWaalsContact C-N 3.29Å; V551-S553 PolarHBondContact O-N 3.42Å; V551-G554 PolarHBondContact O-N 2.88Å; V551-G554 VanDerWaalsContact O-N 3.11Å; V551-F557 HydrophobicContact CG2-CE1 3.79Å; V551-F557 HydrophobicContact CG2-CZ 3.8Å; V551-Y611 HydrophobicContact CG1-CE1 4.36Å; V551-Y611 HydrophobicContact CG2-CD1 3.62Å; V551-Y611 HydrophobicContact CG2-CD2 4.44Å; V551-Y611 HydrophobicContact CG2-CE1 3.42Å; V551-Y611 VanDerWaalsContact CG2-CE1 3.42Å; V551-Y611 HydrophobicContact CG2-CE2 4.29Å; V551-Y611 HydrophobicContact CG2-CG 4.13Å |
| 552 | K | 96.2 | Very high | 96.8 | Very high | 162 Ų | 162 | 33.8 Ų | 33.8 | 70% | 0.704 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -63.4 | -33.3 | 179.1 | -70.9 | 165.5 | -170.2 | 160.7 | 0 | 112.5 | E548 A549 L550 G554 | E548-K552 VanDerWaalsContact O-CG 3.3Å; E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 3.49Å; E548-K552 VanDerWaalsContact O-N 3.14Å; E548-K552 IonicContact OE2-NZ 2.96Å; A549-K552 PolarHBondContact O-N 2.8Å; L550-K552 VanDerWaalsContact C-N 3.33Å; K552-G554 VanDerWaalsContact C-N 3.34Å |
| 553 | S | 94.4 | Very high | 96.8 | Very high | 47 Ų | 47 | 35 Ų | 35 | 33% | 0.329 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -83.2 | -6.8 | 175.6 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | A549 L550 V551 T555 | A549-S553 PolarHBondContact O-N 2.94Å; A549-S553 VanDerWaalsContact O-N 3.09Å; A549-S553 PolarHBondContact O-OG 2.86Å; L550-S553 WeakPolarHBondContact CA-OG 3.47Å; L550-S553 PolarHBondContact O-N 3.33Å; L550-S553 PolarHBondContact O-OG 3.43Å; V551-S553 VanDerWaalsContact C-N 3.29Å; V551-S553 PolarHBondContact O-N 3.42Å; S553-T555 VanDerWaalsContact C-N 3.29Å; S553-T555 PolarHBondContact OG-OG1 3.06Å |
| 554 | G | 94.4 | Very high | 96.5 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 55% | 0.546 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 25.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L550 V551 K552 | L550-G554 PolarHBondContact O-N 2.91Å; L550-G554 VanDerWaalsContact O-N 3.12Å; V551-G554 PolarHBondContact O-N 2.88Å; V551-G554 VanDerWaalsContact O-N 3.11Å; K552-G554 VanDerWaalsContact C-N 3.34Å |
| 555 | T | 95 | Very high | 96.3 | Very high | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | trans | -68.4 | 144.2 | -179.9 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | V523 L550 S553 F557 | V523-T555 HydrophobicContact CB-CG2 4.43Å; V523-T555 HydrophobicContact CG1-CG2 3.94Å; V523-T555 WeakPolarHBondContact O-CG2 3.17Å; V523-T555 PolarHBondContact O-OG1 3.31Å; L550-T555 HydrophobicContact CD2-CG2 3.99Å; L550-T555 PolarHBondContact O-N 2.84Å; S553-T555 VanDerWaalsContact C-N 3.29Å; S553-T555 PolarHBondContact OG-OG1 3.06Å; T555-F557 PolarHBondContact O-N 2.75Å | ||
| 556 | N | 95 | Very high | 96 | Very high | 85 Ų | 85 | 36.1 Ų | 36.1 | 46% | 0.455 | 21% | 0.209 | S | C | . | . | trans | -79.6 | 111.7 | 170.7 | -176.5 | -20.2 | 0 | 0 | 0 | 109.4 | P526 L527 Y611 | P526-N556 WeakPolarHBondContact CA-O 3.47Å; L527-N556 PolarHBondContact N-O 2.65Å; N556-Y611 VanDerWaalsContact CA-O 3.27Å; N556-Y611 WeakPolarHBondContact CA-O 3.38Å; N556-Y611 PolarHBondContact OD1-O 2.79Å; N556-Y611 VanDerWaalsContact OD1-O 3.11Å | ||
| 557 | F | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 155.7 | 177 | 78.4 | -76.7 | 0 | 0 | 0 | 112.9 | L527 I529 A547 L550 V551 T555 Y559 Y611 | L527-F557 HydrophobicContact CB-CB 4Å; L527-F557 CarbonylContact O-C 3.5Å; L527-F557 WeakPolarHBondContact O-CA 3.3Å; L527-F557 VanDerWaalsContact O-CB 3.31Å; L527-F557 WeakPolarHBondContact O-CB 3.49Å; I529-F557 HydrophobicContact CD1-CD2 4.36Å; A547-F557 HydrophobicContact CB-CE2 3.87Å; A547-F557 HydrophobicContact CB-CZ 4.01Å; L550-F557 HydrophobicContact CB-CD1 3.77Å; L550-F557 HydrophobicContact CB-CE1 3.63Å; L550-F557 HydrophobicContact CB-CG 4.39Å; L550-F557 HydrophobicContact CB-CZ 4.14Å; L550-F557 HydrophobicContact CD1-CD1 4.29Å; L550-F557 HydrophobicContact CD1-CD2 4.19Å; L550-F557 HydrophobicContact CD1-CG 4.09Å; V551-F557 HydrophobicContact CG2-CE1 3.79Å; V551-F557 HydrophobicContact CG2-CZ 3.8Å; T555-F557 PolarHBondContact O-N 2.75Å; F557-Y559 HydrophobicContact CE2-CD2 4.28Å; F557-Y559 HydrophobicContact CE2-CG 4.43Å; F557-Y611 HydrophobicContact CD1-CD2 4.14Å; F557-Y611 HydrophobicContact CD1-CG 4.09Å; F557-Y611 HydrophobicContact CD2-CD2 4.44Å; F557-Y611 VanDerWaalsContact CE1-CB 3.46Å; F557-Y611 HydrophobicContact CE1-CD1 4.29Å; F557-Y611 AromaticContact CE1-CD2 3.5Å; F557-Y611 HydrophobicContact CE1-CD2 3.5Å; F557-Y611 VanDerWaalsContact CE1-CD2 3.5Å; F557-Y611 HydrophobicContact CE1-CE2 4.31Å; F557-Y611 AromaticContact CE1-CG 3.48Å; F557-Y611 HydrophobicContact CE1-CG 3.48Å; F557-Y611 VanDerWaalsContact CE1-CG 3.48Å; F557-Y611 AromaticContact CE2-CD2 3.86Å; F557-Y611 HydrophobicContact CE2-CD2 3.86Å; F557-Y611 HydrophobicContact CE2-CE2 4.29Å; F557-Y611 AromaticContact CZ-CD2 3.32Å; F557-Y611 HydrophobicContact CZ-CD2 3.32Å; F557-Y611 AromaticContact CZ-CE2 3.76Å; F557-Y611 HydrophobicContact CZ-CE2 3.76Å; F557-Y611 AromaticContact CZ-CG 3.82Å; F557-Y611 HydrophobicContact CZ-CG 3.82Å; F557-Y611 PolarHBondContact N-O 2.78Å; F557-Y611 PolarHBondContact O-N 2.82Å |
| 558 | T | 98 | Very high | 95.4 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.2 | 170.9 | -56.9 | 0 | 0 | 0 | 0 | 108.9 | L527 L528 I529 M560 M581 L608 E609 Q610 | L527-T558 PolarHBondContact O-N 3.36Å; L528-T558 HydrophobicContact CG-CG2 4.38Å; I529-T558 PolarHBondContact N-O 2.97Å; T558-M560 HydrophobicContact CG2-CG 3.96Å; T558-M560 HydrophobicContact CG2-SD 4.3Å; T558-M581 HydrophobicContact CG2-CE 3.96Å; T558-L608 HydrophobicContact CG2-CD1 3.66Å; T558-E609 CarbonylContact C-O 3.58Å; T558-E609 WeakPolarHBondContact CA-O 3.49Å; T558-Q610 HydrophobicContact CG2-CG 4.21Å |
| 559 | Y | 98.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.3 | 177.5 | -169.8 | -120.6 | 0 | 0 | 0 | 109.5 | T543 D544 A547 F557 V561 T607 L608 E609 | T543-Y559 HydrophobicContact CG2-CE2 3.58Å; D544-Y559 PolarHBondContact OD1-OH 3.18Å; A547-Y559 HydrophobicContact CB-CD2 3.81Å; A547-Y559 HydrophobicContact CB-CE2 3.76Å; A547-Y559 HydrophobicContact CB-CG 4.5Å; F557-Y559 HydrophobicContact CE2-CD2 4.28Å; F557-Y559 HydrophobicContact CE2-CG 4.43Å; Y559-V561 HydrophobicContact CD1-CG2 4.21Å; Y559-V561 HydrophobicContact CE1-CG2 3.42Å; Y559-V561 VanDerWaalsContact CE1-CG2 3.42Å; Y559-V561 HydrophobicContact CE2-CG2 4.03Å; Y559-V561 WeakPolarHBondContact OH-CG2 3.44Å; Y559-T607 HydrophobicContact CD1-CG2 4.49Å; Y559-L608 WeakPolarHBondContact O-CA 3.45Å; Y559-E609 PolarHBondContact N-O 2.92Å; Y559-E609 PolarHBondContact O-N 2.83Å |
| 560 | M | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.8 | -178.4 | -63.8 | -176.6 | 71.3 | 0 | 0 | 110.3 | L528 I529 A530 H531 T558 F562 M581 I606 T607 L608 | L528-M560 HydrophobicContact CD1-SD 3.9Å; L528-M560 HydrophobicContact CD2-SD 3.95Å; L528-M560 HydrophobicContact CG-SD 4.09Å; I529-M560 PolarHBondContact O-N 2.75Å; A530-M560 CarbonylContact C-O 3.56Å; A530-M560 WeakPolarHBondContact CA-O 3.35Å; A530-M560 HydrophobicContact CB-CB 4.23Å; H531-M560 PolarHBondContact N-O 2.85Å; T558-M560 HydrophobicContact CG2-CG 3.96Å; T558-M560 HydrophobicContact CG2-SD 4.3Å; M560-F562 HydrophobicContact CB-CE2 4.07Å; M560-F562 HydrophobicContact CE-CE2 4.32Å; M560-F562 HydrophobicContact CE-CZ 3.77Å; M560-M581 HydrophobicContact CE-CB 4.08Å; M560-M581 HydrophobicContact CE-CG 3.67Å; M560-M581 HydrophobicContact SD-CB 3.67Å; M560-M581 HydrophobicContact SD-CG 3.75Å; M560-I606 HydrophobicContact CB-CD1 4.32Å; M560-I606 HydrophobicContact CE-CD1 3.55Å; M560-T607 CarbonylContact C-O 3.34Å; M560-T607 VanDerWaalsContact CA-O 3.29Å; M560-T607 WeakPolarHBondContact CA-O 3.08Å; M560-L608 HydrophobicContact CE-CD1 4.43Å; M560-L608 HydrophobicContact CG-CD1 3.58Å; M560-L608 HydrophobicContact SD-CD1 4.18Å |
| 561 | V | 97.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.1 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | H531 L533 Y559 P563 I606 T607 | H531-V561 WeakPolarHBondContact O-CA 3.42Å; L533-V561 HydrophobicContact CB-CG1 4.14Å; L533-V561 HydrophobicContact CD1-CG1 4.4Å; Y559-V561 HydrophobicContact CD1-CG2 4.21Å; Y559-V561 HydrophobicContact CE1-CG2 3.42Å; Y559-V561 VanDerWaalsContact CE1-CG2 3.42Å; Y559-V561 HydrophobicContact CE2-CG2 4.03Å; Y559-V561 WeakPolarHBondContact OH-CG2 3.44Å; V561-P563 WeakPolarHBondContact O-CD 3.37Å; V561-I606 WeakPolarHBondContact O-CA 2.93Å; V561-I606 WeakPolarHBondContact O-CG1 3.22Å; V561-T607 PolarHBondContact N-O 2.84Å; V561-T607 PolarHBondContact O-N 3.01Å |
| 562 | F | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.5 | -179.3 | -62.1 | -94.3 | 0 | 0 | 0 | 109.3 | A530 H531 L533 M560 N564 E565 I569 A577 L604 I606 | A530-F562 HydrophobicContact CB-CE2 4.41Å; H531-F562 PolarHBondContact O-N 2.52Å; L533-F562 PolarHBondContact N-O 2.9Å; M560-F562 HydrophobicContact CB-CE2 4.07Å; M560-F562 HydrophobicContact CE-CE2 4.32Å; M560-F562 HydrophobicContact CE-CZ 3.77Å; F562-N564 PolarHBondContact O-N 3Å; F562-E565 HydrophobicContact CB-CB 3.73Å; F562-E565 HydrophobicContact CB-CG 3.5Å; F562-E565 VanDerWaalsContact CB-CG 3.5Å; F562-E565 HydrophobicContact CD1-CG 4.47Å; F562-E565 HydrophobicContact CG-CG 4.12Å; F562-E565 PolarHBondContact O-N 3.08Å; F562-I569 HydrophobicContact CB-CD1 4.22Å; F562-I569 HydrophobicContact CD2-CD1 3.46Å; F562-I569 VanDerWaalsContact CD2-CD1 3.46Å; F562-I569 HydrophobicContact CD2-CG1 4.14Å; F562-I569 HydrophobicContact CE1-CG2 4.37Å; F562-I569 HydrophobicContact CE2-CD1 3.97Å; F562-I569 HydrophobicContact CE2-CG1 4.13Å; F562-I569 HydrophobicContact CE2-CG2 4.34Å; F562-I569 HydrophobicContact CG-CD1 3.99Å; F562-I569 HydrophobicContact CZ-CG2 4.25Å; F562-A577 HydrophobicContact CE1-CB 4.49Å; F562-L604 HydrophobicContact CE1-CD2 4.07Å; F562-I606 HydrophobicContact CD1-CD1 3.9Å; F562-I606 HydrophobicContact CD1-CG1 4Å; F562-I606 HydrophobicContact CE1-CD1 3.4Å; F562-I606 HydrophobicContact CE1-CG1 4.03Å; F562-I606 HydrophobicContact CE2-CD1 4.14Å; F562-I606 HydrophobicContact CG-CD1 4.47Å; F562-I606 HydrophobicContact CG-CG1 4.37Å; F562-I606 HydrophobicContact CZ-CD1 3.54Å; F562-I606 HydrophobicContact CZ-CG1 4.42Å |
| 563 | P | 93.7 | Very high | 93.7 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 17% | 0.169 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.6 | -172.7 | -26.9 | 38.1 | 0 | 0 | 0 | 114.9 | L533 M534 V561 D605 | L533-P563 HydrophobicContact CD2-CB 4.39Å; M534-P563 WeakPolarHBondContact CG-O 3.35Å; V561-P563 WeakPolarHBondContact O-CD 3.37Å; P563-D605 WeakPolarHBondContact CD-O 3.3Å |
| 564 | N | 89.7 | Confident | 93.7 | Very high | 100 Ų | 100 | 43.6 Ų | 43.6 | 54% | 0.535 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 2.3 | -174 | -56.8 | -51.4 | 0 | 0 | 0 | 113.7 | F562 | F562-N564 PolarHBondContact O-N 3Š|
| 565 | E | 93.3 | Very high | 93.7 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | trans | -97.8 | 153.5 | 178.9 | -64.4 | -74.5 | -175.8 | 0 | 0 | 111.5 | G532 L533 M534 F562 I569 N570 E571 S574 | G532-E565 CarbonylContact C-O 3.59Å; G532-E565 VanDerWaalsContact CA-O 3.22Å; G532-E565 WeakPolarHBondContact CA-O 3.49Å; L533-E565 PolarHBondContact N-O 3.45Å; M534-E565 WeakPolarHBondContact CA-O 3.3Å; M534-E565 VanDerWaalsContact CB-O 3.3Å; M534-E565 WeakPolarHBondContact CB-O 3.31Å; M534-E565 PolarHBondContact N-O 2.7Å; F562-E565 HydrophobicContact CB-CB 3.73Å; F562-E565 HydrophobicContact CB-CG 3.5Å; F562-E565 VanDerWaalsContact CB-CG 3.5Å; F562-E565 HydrophobicContact CD1-CG 4.47Å; F562-E565 HydrophobicContact CG-CG 4.12Å; F562-E565 PolarHBondContact O-N 3.08Å; E565-I569 HydrophobicContact CB-CD1 3.73Å; E565-I569 HydrophobicContact CG-CD1 3.96Å; E565-I569 HydrophobicContact CG-CG2 4.28Å; E565-N570 PolarHBondContact OE1-N 3.33Å; E565-N570 PolarHBondContact OE2-N 2.85Å; E565-E571 WeakPolarHBondContact OE1-CA 3.31Å; E565-E571 WeakPolarHBondContact OE1-CB 2.95Å; E565-E571 WeakPolarHBondContact OE1-CG 2.83Å; E565-E571 PolarHBondContact OE1-N 3.41Å; E565-S574 WeakPolarHBondContact OE1-CB 3.3Å; E565-S574 PolarHBondContact OE1-OG 2.84Å | ||
| 566 | G | 92.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | trans | -98 | -141.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | G532 C568 | G532-G566 WeakPolarHBondContact CA-O 3.49Å; G566-C568 PolarHBondContact O-N 2.95Å | ||
| 567 | H | 93.8 | Very high | 93.7 | Very high | 25 Ų | 25 | 44 Ų | 44 | 12% | 0.116 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -67 | -4.5 | 177.4 | -164.7 | 60.3 | 0 | 0 | 0 | 114.9 | S447 D535 R537 | S447-H567 VanDerWaalsContact CB-NE2 3.27Å; S447-H567 WeakPolarHBondContact CB-NE2 3.22Å; S447-H567 PolarHBondContact OG-CE1 2.7Å; S447-H567 PolarHBondContact OG-NE2 3Å; D535-H567 WeakPolarHBondContact OD1-CB 3.4Å; D535-H567 IonicContact OD1-CG 3.91Å; D535-H567 IonicContact OD1-ND1 3.17Å; D535-H567 PolarHBondContact OD1-ND1 3.3Å; D535-H567 IonicContact OD2-CE1 2.69Å; D535-H567 IonicContact OD2-CG 2.66Å; D535-H567 IonicContact OD2-ND1 2.79Å; D535-H567 PolarHBondContact OD2-ND1 3.2Å; R537-H567 HydrophobicContact CG-CB 4.19Å |
| 568 | C | 89.2 | Confident | 93.7 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -140.9 | 143.2 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 108.1 | E470 G566 N570 | E470-C568 WeakPolarHBondContact OE1-CA 3.14Å; G566-C568 PolarHBondContact O-N 2.95Å; C568-N570 WeakPolarHBondContact CB-ND2 3.33Å; C568-N570 PolarHBondContact O-N 2.98Å |
| 569 | I | 92.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | trans | -84.6 | 99.2 | 172.9 | -50.7 | -51 | 0 | 0 | 0 | 109.3 | E470 F562 E565 S574 | E470-I569 PolarHBondContact OE1-N 2.83Å; F562-I569 HydrophobicContact CB-CD1 4.22Å; F562-I569 HydrophobicContact CD2-CD1 3.46Å; F562-I569 VanDerWaalsContact CD2-CD1 3.46Å; F562-I569 HydrophobicContact CD2-CG1 4.14Å; F562-I569 HydrophobicContact CE1-CG2 4.37Å; F562-I569 HydrophobicContact CE2-CD1 3.97Å; F562-I569 HydrophobicContact CE2-CG1 4.13Å; F562-I569 HydrophobicContact CE2-CG2 4.34Å; F562-I569 HydrophobicContact CG-CD1 3.99Å; F562-I569 HydrophobicContact CZ-CG2 4.25Å; E565-I569 HydrophobicContact CB-CD1 3.73Å; E565-I569 HydrophobicContact CG-CD1 3.96Å; E565-I569 HydrophobicContact CG-CG2 4.28Å; I569-S574 VanDerWaalsContact CG2-CB 3.45Å | ||
| 570 | N | 88 | Confident | 93.5 | Very high | 112 Ų | 112 | 45.1 Ų | 45.1 | 60% | 0.599 | 23% | 0.231 | S | C | * | . | trans | -113.3 | -28.6 | -169.6 | -72.5 | -47.1 | 0 | 0 | 0 | 114.6 | E565 C568 E572 | E565-N570 PolarHBondContact OE1-N 3.33Å; E565-N570 PolarHBondContact OE2-N 2.85Å; C568-N570 WeakPolarHBondContact CB-ND2 3.33Å; C568-N570 PolarHBondContact O-N 2.98Å; N570-E572 PolarHBondContact O-N 3.14Å | ||
| 571 | E | 88.9 | Confident | 93.5 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -64 | 137.3 | 179.3 | -64.5 | -153 | 166.3 | 0 | 0 | 109.9 | E565 R573 S574 M575 | E565-E571 WeakPolarHBondContact OE1-CA 3.31Å; E565-E571 WeakPolarHBondContact OE1-CB 2.95Å; E565-E571 WeakPolarHBondContact OE1-CG 2.83Å; E565-E571 PolarHBondContact OE1-N 3.41Å; E571-R573 VanDerWaalsContact C-N 3.3Å; E571-R573 PolarHBondContact O-N 2.78Å; E571-S574 WeakPolarHBondContact O-CB 3.49Å; E571-S574 PolarHBondContact O-N 3.06Å; E571-M575 WeakPolarHBondContact O-CB 3.3Å; E571-M575 PolarHBondContact O-N 2.88Å |
| 572 | E | 89.5 | Confident | 93.5 | Very high | 150 Ų | 150 | 45 Ų | 45 | 70% | 0.701 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -52.9 | -47 | -172.3 | -177.1 | -179 | 173.1 | 0 | 0 | 112.1 | N570 M575 L576 | N570-E572 PolarHBondContact O-N 3.14Å; E572-M575 PolarHBondContact O-N 2.84Å; E572-L576 HydrophobicContact CG-CD1 4.17Å; E572-L576 WeakPolarHBondContact O-CB 3.33Å; E572-L576 VanDerWaalsContact O-CG 3.24Å; E572-L576 WeakPolarHBondContact O-CG 3.32Å; E572-L576 PolarHBondContact O-N 3.15Å |
| 573 | R | 92.2 | Very high | 93.5 | Very high | 101 Ų | 101 | 45.8 Ų | 45.8 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.7 | -39.3 | 179.6 | -65.7 | -74.3 | -85.9 | -176.9 | 0.2 | 112 | E571 A577 D599 E602 L604 | E571-R573 VanDerWaalsContact C-N 3.3Å; E571-R573 PolarHBondContact O-N 2.78Å; R573-A577 WeakPolarHBondContact O-CB 3.03Å; R573-A577 PolarHBondContact O-N 2.93Å; R573-D599 IonicContact NH1-OD2 2.75Å; R573-E602 PolarHBondContact NH2-O 3.49Å; R573-L604 HydrophobicContact CB-CD1 3.99Å |
| 574 | S | 94.7 | Very high | 93.6 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.5 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | E565 I569 E571 A577 Y578 | E565-S574 WeakPolarHBondContact OE1-CB 3.3Å; E565-S574 PolarHBondContact OE1-OG 2.84Å; I569-S574 VanDerWaalsContact CG2-CB 3.45Å; E571-S574 WeakPolarHBondContact O-CB 3.49Å; E571-S574 PolarHBondContact O-N 3.06Å; S574-A577 PolarHBondContact O-N 3.23Å; S574-Y578 VanDerWaalsContact O-CB 3.32Å; S574-Y578 WeakPolarHBondContact O-CB 3.29Å; S574-Y578 PolarHBondContact O-N 3.29Å |
| 575 | M | 94.2 | Very high | 93.9 | Very high | 69 Ų | 69 | 42 Ų | 42 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 178.8 | -173.6 | -178.5 | -59.1 | 0 | 0 | 111.2 | E571 E572 Y578 F579 | E571-M575 WeakPolarHBondContact O-CB 3.3Å; E571-M575 PolarHBondContact O-N 2.88Å; E572-M575 PolarHBondContact O-N 2.84Å; M575-Y578 PolarHBondContact O-N 3.39Å; M575-F579 HydrophobicContact CG-CD2 3.74Å; M575-F579 HydrophobicContact CG-CE2 3.79Å; M575-F579 WeakPolarHBondContact O-CD2 3.32Å; M575-F579 PolarHBondContact O-N 2.99Å; M575-F579 HydrophobicContact SD-CE2 4.47Å |
| 576 | L | 94.4 | Very high | 94.2 | Very high | 88 Ų | 88 | 41.6 Ų | 41.6 | 46% | 0.461 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 174.9 | -72.1 | 171.8 | 0 | 0 | 0 | 111.6 | E572 Y578 A580 | E572-L576 HydrophobicContact CG-CD1 4.17Å; E572-L576 WeakPolarHBondContact O-CB 3.33Å; E572-L576 VanDerWaalsContact O-CG 3.24Å; E572-L576 WeakPolarHBondContact O-CG 3.32Å; E572-L576 PolarHBondContact O-N 3.15Å; L576-Y578 PolarHBondContact O-N 2.96Å; L576-A580 VanDerWaalsContact O-CB 3.23Å; L576-A580 WeakPolarHBondContact O-CB 3.4Å; L576-A580 PolarHBondContact O-N 2.79Å |
| 577 | A | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F562 R573 S574 A580 M581 S600 L601 L604 | F562-A577 HydrophobicContact CE1-CB 4.49Å; R573-A577 WeakPolarHBondContact O-CB 3.03Å; R573-A577 PolarHBondContact O-N 2.93Å; S574-A577 PolarHBondContact O-N 3.23Å; A577-A580 PolarHBondContact O-N 2.83Å; A577-M581 VanDerWaalsContact O-CG 3.31Å; A577-M581 WeakPolarHBondContact O-CG 3.45Å; A577-M581 PolarHBondContact O-N 2.87Å; A577-M581 VanDerWaalsContact O-N 3.11Å; A577-S600 WeakPolarHBondContact CB-O 3.23Å; A577-L601 HydrophobicContact CB-CD2 3.81Å; A577-L604 HydrophobicContact CB-CD2 3.39Å |
| 578 | Y | 97.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -52.2 | 179.3 | 178.9 | -124.6 | 0 | 0 | 0 | 111.5 | V468 L528 A530 S574 M575 L576 A580 M581 I582 | V468-Y578 HydrophobicContact CG1-CE2 4.18Å; V468-Y578 WeakPolarHBondContact CG1-OH 3.33Å; L528-Y578 HydrophobicContact CD2-CD2 4.29Å; L528-Y578 HydrophobicContact CD2-CE2 3.79Å; A530-Y578 HydrophobicContact CB-CD2 3.82Å; A530-Y578 HydrophobicContact CB-CE2 3.4Å; S574-Y578 VanDerWaalsContact O-CB 3.32Å; S574-Y578 WeakPolarHBondContact O-CB 3.29Å; S574-Y578 PolarHBondContact O-N 3.29Å; M575-Y578 PolarHBondContact O-N 3.39Å; L576-Y578 PolarHBondContact O-N 2.96Å; Y578-A580 PolarHBondContact O-N 2.55Å; Y578-M581 PolarHBondContact O-N 2.97Å; Y578-I582 HydrophobicContact CD1-CD1 3.91Å; Y578-I582 HydrophobicContact CD2-CD1 4.3Å; Y578-I582 HydrophobicContact CE1-CD1 3.5Å; Y578-I582 HydrophobicContact CE2-CD1 3.92Å; Y578-I582 HydrophobicContact CE2-CG1 4.29Å; Y578-I582 HydrophobicContact CG-CD1 4.29Å; Y578-I582 WeakPolarHBondContact O-CG1 3.41Å; Y578-I582 PolarHBondContact O-N 3Å |
| 579 | F | 96.7 | Very high | 94.7 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.1 | -34.8 | 179.1 | -81.2 | -67.7 | 0 | 0 | 0 | 113.2 | E381 L384 M575 M581 I582 E583 | E381-F579 HydrophobicContact CB-CE1 4.41Å; E381-F579 HydrophobicContact CB-CZ 4.19Å; E381-F579 HydrophobicContact CG-CE1 3.99Å; E381-F579 HydrophobicContact CG-CZ 4.14Å; L384-F579 HydrophobicContact CD2-CB 3.88Å; L384-F579 HydrophobicContact CD2-CD1 3.54Å; L384-F579 HydrophobicContact CD2-CE1 4.27Å; L384-F579 HydrophobicContact CD2-CG 3.78Å; M575-F579 HydrophobicContact CG-CD2 3.74Å; M575-F579 HydrophobicContact CG-CE2 3.79Å; M575-F579 WeakPolarHBondContact O-CD2 3.32Å; M575-F579 PolarHBondContact O-N 2.99Å; M575-F579 HydrophobicContact SD-CE2 4.47Å; F579-M581 PolarHBondContact O-N 2.86Å; F579-I582 HydrophobicContact CD1-CD1 3.86Å; F579-I582 HydrophobicContact CE1-CD1 4.02Å; F579-I582 PolarHBondContact O-N 2.94Å; F579-E583 WeakPolarHBondContact O-CG 3.39Å; F579-E583 PolarHBondContact O-N 3.2Å |
| 580 | A | 96.4 | Very high | 94.8 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.1 | -42.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | L576 A577 Y578 E583 Q584 V597 | L576-A580 VanDerWaalsContact O-CB 3.23Å; L576-A580 WeakPolarHBondContact O-CB 3.4Å; L576-A580 PolarHBondContact O-N 2.79Å; A577-A580 PolarHBondContact O-N 2.83Å; Y578-A580 PolarHBondContact O-N 2.55Å; A580-E583 PolarHBondContact O-N 3.24Å; A580-Q584 WeakPolarHBondContact O-CG 3.17Å; A580-Q584 PolarHBondContact O-N 3.17Å; A580-Q584 VanDerWaalsContact O-N 3.11Å; A580-V597 HydrophobicContact CB-CG1 4.38Å |
| 581 | M | 96.7 | Very high | 94.8 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72.4 | -34.4 | 178.3 | -66.5 | -57.8 | -60.6 | 0 | 0 | 113.1 | L528 T558 M560 A577 Y578 F579 Q584 L585 V597 L601 L608 | L528-M581 HydrophobicContact CD1-CB 3.68Å; T558-M581 HydrophobicContact CG2-CE 3.96Å; M560-M581 HydrophobicContact CE-CB 4.08Å; M560-M581 HydrophobicContact CE-CG 3.67Å; M560-M581 HydrophobicContact SD-CB 3.67Å; M560-M581 HydrophobicContact SD-CG 3.75Å; A577-M581 VanDerWaalsContact O-CG 3.31Å; A577-M581 WeakPolarHBondContact O-CG 3.45Å; A577-M581 PolarHBondContact O-N 2.87Å; A577-M581 VanDerWaalsContact O-N 3.11Å; Y578-M581 PolarHBondContact O-N 2.97Å; F579-M581 PolarHBondContact O-N 2.86Å; M581-Q584 PolarHBondContact O-N 3.43Å; M581-L585 PolarHBondContact O-N 3.3Å; M581-V597 HydrophobicContact SD-CG2 4.39Å; M581-L601 HydrophobicContact SD-CD1 4.3Å; M581-L608 HydrophobicContact CE-CD1 4.24Å |
| 582 | I | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 170.5 | -70 | 171.2 | 0 | 0 | 0 | 110.6 | L385 M444 V468 L528 Y578 F579 Q584 L585 F586 | L385-I582 HydrophobicContact CD2-CG2 4.37Å; M444-I582 HydrophobicContact CE-CD1 4.25Å; V468-I582 HydrophobicContact CG1-CD1 4.07Å; V468-I582 HydrophobicContact CG1-CG1 4.02Å; V468-I582 HydrophobicContact CG2-CG1 4.11Å; V468-I582 HydrophobicContact CG2-CG2 4.46Å; L528-I582 HydrophobicContact CD1-CG1 4.34Å; Y578-I582 HydrophobicContact CD1-CD1 3.91Å; Y578-I582 HydrophobicContact CD2-CD1 4.3Å; Y578-I582 HydrophobicContact CE1-CD1 3.5Å; Y578-I582 HydrophobicContact CE2-CD1 3.92Å; Y578-I582 HydrophobicContact CE2-CG1 4.29Å; Y578-I582 HydrophobicContact CG-CD1 4.29Å; Y578-I582 WeakPolarHBondContact O-CG1 3.41Å; Y578-I582 PolarHBondContact O-N 3Å; F579-I582 HydrophobicContact CD1-CD1 3.86Å; F579-I582 HydrophobicContact CE1-CD1 4.02Å; F579-I582 PolarHBondContact O-N 2.94Å; I582-Q584 VanDerWaalsContact C-N 3.29Å; I582-Q584 PolarHBondContact O-N 2.52Å; I582-L585 PolarHBondContact O-N 3.05Å; I582-L585 VanDerWaalsContact O-N 3.13Å; I582-F586 HydrophobicContact CG2-CD2 3.57Å; I582-F586 HydrophobicContact CG2-CE2 3.4Å; I582-F586 HydrophobicContact CG2-CG 4.36Å; I582-F586 HydrophobicContact CG2-CZ 4.06Å; I582-F586 PolarHBondContact O-N 3.01Å |
| 583 | E | 96.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 177.6 | -74.3 | -166.6 | 59.3 | 0 | 0 | 111.4 | R388 F579 A580 L585 A587 N594 E595 | R388-E583 HydrophobicContact CG-CG 4.4Å; R388-E583 IonicContact CZ-OE1 3.96Å; R388-E583 IonicContact CZ-OE2 3.36Å; R388-E583 IonicContact NE-OE1 3.97Å; R388-E583 PolarHBondContact NE-OE1 3.43Å; R388-E583 IonicContact NE-OE2 3.38Å; R388-E583 IonicContact NH2-OE1 2.76Å; R388-E583 PolarHBondContact NH2-OE1 2.73Å; R388-E583 IonicContact NH2-OE2 3.48Å; R388-E583 PolarHBondContact NH2-OE2 2.92Å; F579-E583 WeakPolarHBondContact O-CG 3.39Å; F579-E583 PolarHBondContact O-N 3.2Å; A580-E583 PolarHBondContact O-N 3.24Å; E583-L585 PolarHBondContact O-N 3.39Å; E583-A587 WeakPolarHBondContact O-CB 3.48Å; E583-A587 PolarHBondContact O-N 3.41Å; E583-N594 HydrophobicContact CB-CB 4.04Å; E583-N594 WeakPolarHBondContact OE1-CA 3.17Å; E583-E595 PolarHBondContact OE1-N 2.72Å; E583-E595 VanDerWaalsContact OE1-N 3.09Å |
| 584 | Q | 96 | Very high | 94.8 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.7 | -66.4 | -50.5 | -54.3 | 0 | 0 | 112.6 | A580 M581 I582 R588 N594 E595 V597 | A580-Q584 WeakPolarHBondContact O-CG 3.17Å; A580-Q584 PolarHBondContact O-N 3.17Å; A580-Q584 VanDerWaalsContact O-N 3.11Å; M581-Q584 PolarHBondContact O-N 3.43Å; I582-Q584 VanDerWaalsContact C-N 3.29Å; I582-Q584 PolarHBondContact O-N 2.52Å; Q584-R588 WeakPolarHBondContact O-CD 3.22Å; Q584-R588 WeakPolarHBondContact O-CG 3.43Å; Q584-R588 PolarHBondContact O-N 3.48Å; Q584-N594 VanDerWaalsContact CD-ND2 3.33Å; Q584-N594 PolarHBondContact NE2-ND2 2.86Å; Q584-N594 PolarHBondContact OE1-ND2 3.4Å; Q584-N594 VanDerWaalsContact OE1-ND2 3.13Å; Q584-E595 PolarHBondContact NE2-O 3.35Å; Q584-V597 HydrophobicContact CG-CG2 3.45Å; Q584-V597 VanDerWaalsContact CG-CG2 3.45Å |
| 585 | L | 97.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -54.3 | 177.9 | 177.4 | 67.1 | 0 | 0 | 0 | 110.4 | C466 G467 V468 P526 L528 M581 I582 E583 A587 R588 C589 | C466-L585 HydrophobicContact CB-CD1 4.33Å; C466-L585 HydrophobicContact CB-CD2 4.46Å; C466-L585 HydrophobicContact CB-CG 4.36Å; G467-L585 WeakPolarHBondContact O-CD2 3.38Å; V468-L585 HydrophobicContact CG2-CD2 3.74Å; P526-L585 HydrophobicContact CB-CD1 3.7Å; L528-L585 HydrophobicContact CB-CD2 3.9Å; M581-L585 PolarHBondContact O-N 3.3Å; I582-L585 PolarHBondContact O-N 3.05Å; I582-L585 VanDerWaalsContact O-N 3.13Å; E583-L585 PolarHBondContact O-N 3.39Å; L585-A587 PolarHBondContact O-N 2.75Å; L585-R588 WeakPolarHBondContact O-CB 3.4Å; L585-R588 PolarHBondContact O-N 3.27Å; L585-R588 VanDerWaalsContact O-N 3.11Å; L585-C589 PolarHBondContact O-N 3.15Å; L585-C589 PolarHBondContact O-SG 3.38Å |
| 586 | F | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -34.2 | -175.9 | -66.8 | -18.8 | 0 | 0 | 0 | 113 | I363 L385 Y390 A442 M444 V468 I582 R588 C589 L590 | I363-F586 HydrophobicContact CD1-CD1 4.33Å; I363-F586 HydrophobicContact CD1-CD2 3.76Å; I363-F586 HydrophobicContact CD1-CE1 4.34Å; I363-F586 HydrophobicContact CD1-CE2 3.75Å; I363-F586 HydrophobicContact CD1-CG 4.06Å; I363-F586 HydrophobicContact CD1-CZ 4.05Å; I363-F586 HydrophobicContact CG1-CD2 4.43Å; I363-F586 HydrophobicContact CG1-CE2 4.23Å; I363-F586 HydrophobicContact CG2-CE2 4.02Å; I363-F586 HydrophobicContact CG2-CZ 4.08Å; L385-F586 HydrophobicContact CD2-CD2 3.83Å; L385-F586 HydrophobicContact CD2-CE2 3.77Å; Y390-F586 HydrophobicContact CE2-CB 3.97Å; Y390-F586 HydrophobicContact CE2-CD2 4.39Å; Y390-F586 VanDerWaalsContact OH-CB 3.26Å; Y390-F586 WeakPolarHBondContact OH-CB 3.35Å; Y390-F586 PolarHBondContact OH-O 3.38Å; Y390-F586 VanDerWaalsContact OH-O 3.13Å; A442-F586 HydrophobicContact CB-CD1 3.96Å; A442-F586 HydrophobicContact CB-CE1 3.48Å; A442-F586 VanDerWaalsContact CB-CE1 3.48Å; A442-F586 HydrophobicContact CB-CZ 4.07Å; M444-F586 HydrophobicContact CB-CZ 4.32Å; M444-F586 HydrophobicContact CG-CZ 4.47Å; M444-F586 HydrophobicContact SD-CE2 3.8Å; M444-F586 HydrophobicContact SD-CZ 3.89Å; V468-F586 HydrophobicContact CG2-CE1 3.73Å; V468-F586 HydrophobicContact CG2-CZ 3.63Å; I582-F586 HydrophobicContact CG2-CD2 3.57Å; I582-F586 HydrophobicContact CG2-CE2 3.4Å; I582-F586 HydrophobicContact CG2-CG 4.36Å; I582-F586 HydrophobicContact CG2-CZ 4.06Å; I582-F586 PolarHBondContact O-N 3.01Å; F586-R588 VanDerWaalsContact C-N 3.31Å; F586-R588 PolarHBondContact O-N 2.87Å; F586-C589 VanDerWaalsContact CA-SG 3.6Å; F586-C589 PolarHBondContact O-N 2.98Å; F586-L590 HydrophobicContact CB-CD1 4.37Å; F586-L590 HydrophobicContact CD1-CD1 4.46Å; F586-L590 HydrophobicContact CG-CD1 4.47Å; F586-L590 WeakPolarHBondContact O-CA 3.49Å; F586-L590 VanDerWaalsContact O-CB 3.28Å; F586-L590 WeakPolarHBondContact O-CB 3.13Å; F586-L590 PolarHBondContact O-N 2.86Å |
| 587 | A | 95.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y390 E583 L585 N591 N594 | Y390-A587 PolarHBondContact OH-N 2.96Å; E583-A587 WeakPolarHBondContact O-CB 3.48Å; E583-A587 PolarHBondContact O-N 3.41Å; L585-A587 PolarHBondContact O-N 2.75Å; A587-N591 VanDerWaalsContact O-CA 3.31Å; A587-N591 WeakPolarHBondContact O-CA 3.31Å; A587-N591 PolarHBondContact O-N 2.76Å; A587-N591 VanDerWaalsContact O-N 3.07Å; A587-N594 HydrophobicContact CB-CB 3.85Å |
| 588 | R | 94.4 | Very high | 94 | Very high | 161 Ų | 161 | 44.2 Ų | 44.2 | 61% | 0.608 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -68.7 | -39.9 | 179.7 | -69.4 | 170.6 | -167.6 | -171.2 | 4.2 | 113.7 | Q584 L585 F586 | Q584-R588 WeakPolarHBondContact O-CD 3.22Å; Q584-R588 WeakPolarHBondContact O-CG 3.43Å; Q584-R588 PolarHBondContact O-N 3.48Å; L585-R588 WeakPolarHBondContact O-CB 3.4Å; L585-R588 PolarHBondContact O-N 3.27Å; L585-R588 VanDerWaalsContact O-N 3.11Å; F586-R588 VanDerWaalsContact C-N 3.31Å; F586-R588 PolarHBondContact O-N 2.87Å |
| 589 | C | 95.6 | Very high | 93.6 | Very high | 30 Ų | 30 | 48 Ų | 48 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -91.6 | -23.8 | -176.1 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | Q465 C466 L585 F586 | Q465-C589 HydrophobicContact CB-CB 4.42Å; C466-C589 HydrophobicContact CB-CB 3.65Å; C466-C589 WeakPolarHBondContact CB-SG 3.37Å; C466-C589 WeakPolarHBondContact SG-CB 3.12Å; C466-C589 CovalentContact SG-SG 2.03Å; C466-C589 PolarHBondContact SG-SG 2.83Å; L585-C589 PolarHBondContact O-N 3.15Å; L585-C589 PolarHBondContact O-SG 3.38Å; F586-C589 VanDerWaalsContact CA-SG 3.6Å; F586-C589 PolarHBondContact O-N 2.98Å |
| 590 | L | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -122.5 | -6.2 | -171.5 | -55.2 | 177 | 0 | 0 | 0 | 114.2 | A361 I363 Y390 R440 A442 Q465 F586 G592 | A361-L590 HydrophobicContact CB-CB 3.9Å; A361-L590 HydrophobicContact CB-CD1 4.31Å; A361-L590 HydrophobicContact CB-CG 4.48Å; I363-L590 HydrophobicContact CD1-CD1 3.36Å; Y390-L590 HydrophobicContact CD1-CD1 4.18Å; Y390-L590 HydrophobicContact CE1-CB 3.8Å; Y390-L590 HydrophobicContact CE1-CD1 3.86Å; R440-L590 HydrophobicContact CB-CD2 4.16Å; R440-L590 PolarHBondContact NH1-O 3.38Å; A442-L590 HydrophobicContact CB-CD1 3.93Å; Q465-L590 HydrophobicContact CB-CD2 4.07Å; Q465-L590 HydrophobicContact CG-CD2 4.36Å; F586-L590 HydrophobicContact CB-CD1 4.37Å; F586-L590 HydrophobicContact CD1-CD1 4.46Å; F586-L590 HydrophobicContact CG-CD1 4.47Å; F586-L590 WeakPolarHBondContact O-CA 3.49Å; F586-L590 VanDerWaalsContact O-CB 3.28Å; F586-L590 WeakPolarHBondContact O-CB 3.13Å; F586-L590 PolarHBondContact O-N 2.86Å; L590-G592 VanDerWaalsContact C-N 3.34Å |
| 591 | N | 88.4 | Confident | 92.9 | Very high | 134 Ų | 134 | 49.6 Ų | 49.6 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | trans | 58.2 | 39.2 | -174.6 | -61.3 | -24.8 | 0 | 0 | 0 | 113.7 | A587 | A587-N591 VanDerWaalsContact O-CA 3.31Å; A587-N591 WeakPolarHBondContact O-CA 3.31Å; A587-N591 PolarHBondContact O-N 2.76Å; A587-N591 VanDerWaalsContact O-N 3.07Å | ||
| 592 | G | 84.3 | Confident | 92.6 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | trans | -85.1 | 170.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y390 L590 | Y390-G592 VanDerWaalsContact OH-CA 3.26Å; Y390-G592 WeakPolarHBondContact OH-CA 3.17Å; Y390-G592 PolarHBondContact OH-N 2.91Å; L590-G592 VanDerWaalsContact C-N 3.34Å | ||
| 593 | S | 91 | Very high | 92.1 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 44% | 0.441 | 35% | 0.346 | S | S | . | . | trans | -75.5 | 149.5 | 174.8 | 55.8 | 0 | 0 | 0 | 0 | 111 | R388 | R388-S593 VanDerWaalsContact CA-OG 3.25Å; R388-S593 WeakPolarHBondContact CA-OG 3.42Å; R388-S593 VanDerWaalsContact CB-O 3.31Å; R388-S593 WeakPolarHBondContact CB-O 3.3Å; R388-S593 WeakPolarHBondContact CD-O 3.03Å; R388-S593 WeakPolarHBondContact CG-O 3.26Å; R388-S593 PolarHBondContact O-N 3.33Å; R388-S593 PolarHBondContact O-OG 2.93Å | ||
| 594 | N | 93.8 | Very high | 91.8 | Very high | 65 Ų | 65 | 62.4 Ų | 62.4 | 35% | 0.348 | 35% | 0.35 | S | S | . | . | trans | -140.8 | 156.5 | 174.1 | 59.6 | -28.9 | 0 | 0 | 0 | 111 | E583 Q584 A587 | E583-N594 HydrophobicContact CB-CB 4.04Å; E583-N594 WeakPolarHBondContact OE1-CA 3.17Å; Q584-N594 VanDerWaalsContact CD-ND2 3.33Å; Q584-N594 PolarHBondContact NE2-ND2 2.86Å; Q584-N594 PolarHBondContact OE1-ND2 3.4Å; Q584-N594 VanDerWaalsContact OE1-ND2 3.13Å; A587-N594 HydrophobicContact CB-CB 3.85Å | ||
| 595 | E | 93 | Very high | 91.6 | Very high | 111 Ų | 111 | 65.8 Ų | 65.8 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | trans | -87.3 | 151.2 | 162.2 | -77.1 | 177.3 | -147.8 | 0 | 0 | 111.3 | R388 E583 Q584 | R388-E595 IonicContact CZ-OE1 3.32Å; R388-E595 IonicContact NH1-OE1 2.98Å; R388-E595 PolarHBondContact NH1-OE1 3.31Å; R388-E595 IonicContact NH2-OE1 3.78Å; R388-E595 PolarHBondContact NH2-OE1 2.86Å; R388-E595 IonicContact NH2-OE2 3.08Å; E583-E595 PolarHBondContact OE1-N 2.72Å; E583-E595 VanDerWaalsContact OE1-N 3.09Å; Q584-E595 PolarHBondContact NE2-O 3.35Å | ||
| 596 | P | 91.3 | Very high | 91.5 | Very high | 114 Ų | 114 | 66.5 Ų | 66.5 | 74% | 0.74 | 37% | 0.373 | S | S | * | . | trans | -57.3 | 143.2 | 169.3 | -20.2 | 32.2 | 0 | 0 | 0 | 110.3 | G598 | P596-G598 PolarHBondContact O-N 2.89Å; P596-G598 VanDerWaalsContact O-N 3.11Å | ||
| 597 | V | 91 | Very high | 91.4 | Very high | 32 Ų | 32 | 69.4 Ų | 69.4 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | trans | -56.4 | -31.8 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | A580 M581 Q584 D599 S600 L601 | A580-V597 HydrophobicContact CB-CG1 4.38Å; M581-V597 HydrophobicContact SD-CG2 4.39Å; Q584-V597 HydrophobicContact CG-CG2 3.45Å; Q584-V597 VanDerWaalsContact CG-CG2 3.45Å; V597-D599 PolarHBondContact O-N 3.17Å; V597-S600 WeakPolarHBondContact O-CB 3.3Å; V597-S600 PolarHBondContact O-N 2.86Å; V597-S600 VanDerWaalsContact O-N 3.11Å; V597-S600 PolarHBondContact O-OG 2.86Å; V597-L601 HydrophobicContact CG1-CD1 3.65Å; V597-L601 HydrophobicContact CG1-CG 3.68Å | ||
| 598 | G | 87.9 | Confident | 91.3 | Very high | 60 Ų | 60 | 71.5 Ų | 71.5 | 62% | 0.619 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | -135.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P596 S600 | P596-G598 PolarHBondContact O-N 2.89Å; P596-G598 VanDerWaalsContact O-N 3.11Å; G598-S600 VanDerWaalsContact C-N 3.31Å |
| 599 | D | 88.4 | Confident | 91.4 | Very high | 86 Ų | 86 | 67.2 Ų | 67.2 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 6.3 | 177.7 | 68.6 | -40.1 | 0 | 0 | 0 | 113.4 | R573 V597 L601 E602 | R573-D599 IonicContact NH1-OD2 2.75Å; V597-D599 PolarHBondContact O-N 3.17Å; D599-L601 PolarHBondContact O-N 3.47Å; D599-E602 HydrophobicContact CB-CB 4.33Å; D599-E602 HydrophobicContact CB-CG 4.2Å; D599-E602 WeakPolarHBondContact O-CB 3.33Å; D599-E602 PolarHBondContact O-N 2.74Å |
| 600 | S | 88.5 | Confident | 91.3 | Very high | 25 Ų | 25 | 70 Ų | 70 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.3 | -177.1 | -51.6 | 0 | 0 | 0 | 0 | 113.1 | A577 V597 G598 | A577-S600 WeakPolarHBondContact CB-O 3.23Å; V597-S600 WeakPolarHBondContact O-CB 3.3Å; V597-S600 PolarHBondContact O-N 2.86Å; V597-S600 VanDerWaalsContact O-N 3.11Å; V597-S600 PolarHBondContact O-OG 2.86Å; G598-S600 VanDerWaalsContact C-N 3.31Å |
| 601 | L | 90.7 | Very high | 91.3 | Very high | 52 Ų | 52 | 71.9 Ų | 71.9 | 27% | 0.272 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -6.5 | 177 | -61.2 | 176.6 | 0 | 0 | 0 | 113.3 | A577 M581 V597 D599 L608 | A577-L601 HydrophobicContact CB-CD2 3.81Å; M581-L601 HydrophobicContact SD-CD1 4.3Å; V597-L601 HydrophobicContact CG1-CD1 3.65Å; V597-L601 HydrophobicContact CG1-CG 3.68Å; D599-L601 PolarHBondContact O-N 3.47Å; L601-L608 HydrophobicContact CD1-CD2 3.61Å; L601-L608 HydrophobicContact CD2-CD2 4.13Å |
| 602 | E | 89.4 | Confident | 91.3 | Very high | 116 Ų | 116 | 69.7 Ų | 69.7 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 132.2 | -175.4 | -71.4 | -174.3 | -176.6 | 0 | 0 | 111.8 | R573 D599 L604 | R573-E602 PolarHBondContact NH2-O 3.49Å; D599-E602 HydrophobicContact CB-CB 4.33Å; D599-E602 HydrophobicContact CB-CG 4.2Å; D599-E602 WeakPolarHBondContact O-CB 3.33Å; D599-E602 PolarHBondContact O-N 2.74Å; E602-L604 PolarHBondContact O-N 2.78Å |
| 603 | N | 87.2 | Confident | 91.1 | Very high | 147 Ų | 147 | 73 Ų | 73 | 79% | 0.786 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 23.2 | -179.9 | -53.4 | -57.2 | 0 | 0 | 0 | 114.3 | ||
| 604 | L | 90.6 | Very high | 89.7 | Confident | 34 Ų | 34 | 74 Ų | 74 | 18% | 0.178 | 42% | 0.421 | C | S | . | . | trans | -91.9 | 131.3 | 174 | -172.3 | 64.6 | 0 | 0 | 0 | 110.1 | F562 R573 A577 E602 I606 | F562-L604 HydrophobicContact CE1-CD2 4.07Å; R573-L604 HydrophobicContact CB-CD1 3.99Å; A577-L604 HydrophobicContact CB-CD2 3.39Å; E602-L604 PolarHBondContact O-N 2.78Å; L604-I606 HydrophobicContact CB-CG2 4.35Å; L604-I606 HydrophobicContact CD2-CB 4.19Å; L604-I606 HydrophobicContact CD2-CD1 4.34Å; L604-I606 HydrophobicContact CD2-CG2 4.16Å; L604-I606 HydrophobicContact CG-CB 4.17Å; L604-I606 HydrophobicContact CG-CG2 4.21Å; L604-I606 PolarHBondContact O-N 3.5Å; L604-I606 VanDerWaalsContact O-N 3.16Å | ||
| 605 | D | 91.2 | Very high | 87.3 | Confident | 100 Ų | 100 | 81 Ų | 81 | 54% | 0.535 | 45% | 0.449 | S | S | . | . | trans | -76.5 | 99.4 | 169.1 | -170.9 | 18.2 | 0 | 0 | 0 | 108.5 | P563 | P563-D605 WeakPolarHBondContact CD-O 3.3Š| ||
| 606 | I | 94.6 | Very high | 84.4 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 16% | 0.164 | 45% | 0.454 | C | S | . | . | trans | -150.2 | 140.8 | -177 | -168.2 | -179.6 | 0 | 0 | 0 | 109.9 | M560 V561 F562 L604 L608 | M560-I606 HydrophobicContact CB-CD1 4.32Å; M560-I606 HydrophobicContact CE-CD1 3.55Å; V561-I606 WeakPolarHBondContact O-CA 2.93Å; V561-I606 WeakPolarHBondContact O-CG1 3.22Å; F562-I606 HydrophobicContact CD1-CD1 3.9Å; F562-I606 HydrophobicContact CD1-CG1 4Å; F562-I606 HydrophobicContact CE1-CD1 3.4Å; F562-I606 HydrophobicContact CE1-CG1 4.03Å; F562-I606 HydrophobicContact CE2-CD1 4.14Å; F562-I606 HydrophobicContact CG-CD1 4.47Å; F562-I606 HydrophobicContact CG-CG1 4.37Å; F562-I606 HydrophobicContact CZ-CD1 3.54Å; F562-I606 HydrophobicContact CZ-CG1 4.42Å; L604-I606 HydrophobicContact CB-CG2 4.35Å; L604-I606 HydrophobicContact CD2-CB 4.19Å; L604-I606 HydrophobicContact CD2-CD1 4.34Å; L604-I606 HydrophobicContact CD2-CG2 4.16Å; L604-I606 HydrophobicContact CG-CB 4.17Å; L604-I606 HydrophobicContact CG-CG2 4.21Å; L604-I606 PolarHBondContact O-N 3.5Å; L604-I606 VanDerWaalsContact O-N 3.16Å; I606-L608 HydrophobicContact CG2-CB 4.47Å | ||
| 607 | T | 95.8 | Very high | 81.5 | Confident | 61 Ų | 61 | 86 Ų | 86 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.3 | 161.5 | -58.3 | 0 | 0 | 0 | 0 | 108.1 | Y559 M560 V561 E609 | Y559-T607 HydrophobicContact CD1-CG2 4.49Å; M560-T607 CarbonylContact C-O 3.34Å; M560-T607 VanDerWaalsContact CA-O 3.29Å; M560-T607 WeakPolarHBondContact CA-O 3.08Å; V561-T607 PolarHBondContact N-O 2.84Å; V561-T607 PolarHBondContact O-N 3.01Å; T607-E609 HydrophobicContact CG2-CG 4.32Å |
| 608 | L | 95.3 | Very high | 78.4 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 31% | 0.309 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.5 | 178.1 | 175.4 | 65.8 | 0 | 0 | 0 | 110 | T558 Y559 M560 M581 L601 I606 | T558-L608 HydrophobicContact CG2-CD1 3.66Å; Y559-L608 WeakPolarHBondContact O-CA 3.45Å; M560-L608 HydrophobicContact CE-CD1 4.43Å; M560-L608 HydrophobicContact CG-CD1 3.58Å; M560-L608 HydrophobicContact SD-CD1 4.18Å; M581-L608 HydrophobicContact CE-CD1 4.24Å; L601-L608 HydrophobicContact CD1-CD2 3.61Å; L601-L608 HydrophobicContact CD2-CD2 4.13Å; I606-L608 HydrophobicContact CG2-CB 4.47Å |
| 609 | E | 95.7 | Very high | 75.5 | Confident | 71 Ų | 71 | 102.9 Ų | 102.9 | 33% | 0.332 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.9 | 177.5 | -54.3 | -176.6 | 157.7 | 0 | 0 | 110.6 | T558 Y559 T607 Y611 | T558-E609 CarbonylContact C-O 3.58Å; T558-E609 WeakPolarHBondContact CA-O 3.49Å; Y559-E609 PolarHBondContact N-O 2.92Å; Y559-E609 PolarHBondContact O-N 2.83Å; T607-E609 HydrophobicContact CG2-CG 4.32Å; E609-Y611 HydrophobicContact CB-CD2 4.32Å; E609-Y611 HydrophobicContact CB-CE2 3.62Å; E609-Y611 VanDerWaalsContact OE2-CE2 3.29Å; E609-Y611 WeakPolarHBondContact OE2-CE2 3.29Å; E609-Y611 VanDerWaalsContact OE2-CZ 3.28Å; E609-Y611 PolarHBondContact OE2-OH 2.67Å |
| 610 | Q | 94.4 | Very high | 72.5 | Confident | 89 Ų | 89 | 107 Ų | 107 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125 | 174.9 | -73.3 | -176.3 | 15.3 | 0 | 0 | 110.3 | T558 L613 | T558-Q610 HydrophobicContact CG2-CG 4.21Å; Q610-L613 WeakPolarHBondContact O-CA 3.35Å |
| 611 | Y | 95 | Very high | 69.6 | Low | 39 Ų | 39 | 115.5 Ų | 115.5 | 15% | 0.153 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 149.8 | -177.2 | -70.6 | -86.6 | 0 | 0 | 0 | 112.3 | V551 N556 F557 E609 L613 | V551-Y611 HydrophobicContact CG1-CE1 4.36Å; V551-Y611 HydrophobicContact CG2-CD1 3.62Å; V551-Y611 HydrophobicContact CG2-CD2 4.44Å; V551-Y611 HydrophobicContact CG2-CE1 3.42Å; V551-Y611 VanDerWaalsContact CG2-CE1 3.42Å; V551-Y611 HydrophobicContact CG2-CE2 4.29Å; V551-Y611 HydrophobicContact CG2-CG 4.13Å; N556-Y611 VanDerWaalsContact CA-O 3.27Å; N556-Y611 WeakPolarHBondContact CA-O 3.38Å; N556-Y611 PolarHBondContact OD1-O 2.79Å; N556-Y611 VanDerWaalsContact OD1-O 3.11Å; F557-Y611 HydrophobicContact CD1-CD2 4.14Å; F557-Y611 HydrophobicContact CD1-CG 4.09Å; F557-Y611 HydrophobicContact CD2-CD2 4.44Å; F557-Y611 VanDerWaalsContact CE1-CB 3.46Å; F557-Y611 HydrophobicContact CE1-CD1 4.29Å; F557-Y611 AromaticContact CE1-CD2 3.5Å; F557-Y611 HydrophobicContact CE1-CD2 3.5Å; F557-Y611 VanDerWaalsContact CE1-CD2 3.5Å; F557-Y611 HydrophobicContact CE1-CE2 4.31Å; F557-Y611 AromaticContact CE1-CG 3.48Å; F557-Y611 HydrophobicContact CE1-CG 3.48Å; F557-Y611 VanDerWaalsContact CE1-CG 3.48Å; F557-Y611 AromaticContact CE2-CD2 3.86Å; F557-Y611 HydrophobicContact CE2-CD2 3.86Å; F557-Y611 HydrophobicContact CE2-CE2 4.29Å; F557-Y611 AromaticContact CZ-CD2 3.32Å; F557-Y611 HydrophobicContact CZ-CD2 3.32Å; F557-Y611 AromaticContact CZ-CE2 3.76Å; F557-Y611 HydrophobicContact CZ-CE2 3.76Å; F557-Y611 AromaticContact CZ-CG 3.82Å; F557-Y611 HydrophobicContact CZ-CG 3.82Å; F557-Y611 PolarHBondContact N-O 2.78Å; F557-Y611 PolarHBondContact O-N 2.82Å; E609-Y611 HydrophobicContact CB-CD2 4.32Å; E609-Y611 HydrophobicContact CB-CE2 3.62Å; E609-Y611 VanDerWaalsContact OE2-CE2 3.29Å; E609-Y611 WeakPolarHBondContact OE2-CE2 3.29Å; E609-Y611 VanDerWaalsContact OE2-CZ 3.28Å; E609-Y611 PolarHBondContact OE2-OH 2.67Å; Y611-L613 HydrophobicContact CD1-CD1 4.4Å; Y611-L613 HydrophobicContact CD1-CG 3.87Å; Y611-L613 HydrophobicContact CE1-CD1 3.74Å; Y611-L613 HydrophobicContact CE1-CD2 4.38Å; Y611-L613 HydrophobicContact CE1-CG 3.66Å |
| 612 | P | 89.3 | Confident | 66.5 | Low | 88 Ų | 88 | 119 Ų | 119 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | S | Bend | cis | -62.4 | 137.1 | -9.5 | 28.6 | -34.3 | 0 | 0 | 0 | 109.5 | A614 | P612-A614 PolarHBondContact O-N 3.38Š|
| 613 | L | 78.5 | Confident | 63.4 | Low | 88 Ų | 88 | 121.6 Ų | 121.6 | 46% | 0.461 | 58% | 0.579 | S | S | . | * | trans | -54.1 | 116.5 | 177.5 | -70.7 | 166.9 | 0 | 0 | 0 | 106.7 | Q610 Y611 K615 | Q610-L613 WeakPolarHBondContact O-CA 3.35Å; Y611-L613 HydrophobicContact CD1-CD1 4.4Å; Y611-L613 HydrophobicContact CD1-CG 3.87Å; Y611-L613 HydrophobicContact CE1-CD1 3.74Å; Y611-L613 HydrophobicContact CE1-CD2 4.38Å; Y611-L613 HydrophobicContact CE1-CG 3.66Å; L613-K615 PolarHBondContact O-N 3Å | ||
| 614 | A | 62.6 | Low | 60.6 | Low | 85 Ų | 85 | 120 Ų | 120 | 70% | 0.702 | 58% | 0.575 | S | S | * | * | trans | -45.4 | 123.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | P612 M616 | P612-A614 PolarHBondContact O-N 3.38Å; A614-M616 VanDerWaalsContact C-N 3.27Å; A614-M616 VanDerWaalsContact O-CA 3.31Å; A614-M616 WeakPolarHBondContact O-CA 2.72Å; A614-M616 PolarHBondContact O-N 3.22Å | ||
| 615 | K | 42.5 | Very low | 57.5 | Low | 211 Ų | 211 | 127.1 Ų | 127.1 | 92% | 0.917 | 61% | 0.607 | S | S | * | * | trans | -42.2 | 96.3 | -173.9 | -85.2 | -176.2 | 176.8 | 176.8 | 0 | 108.4 | L613 K617 | L613-K615 PolarHBondContact O-N 3Å; K615-K617 PolarHBondContact O-N 3.15Å | ||
| 616 | M | 32.6 | Very low | 54.4 | Low | 127 Ų | 127 | 125.6 Ų | 125.6 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | trans | -69.2 | 104.8 | -169 | -92.9 | -167.9 | -178.8 | 0 | 0 | 105.7 | A614 R618 | A614-M616 VanDerWaalsContact C-N 3.27Å; A614-M616 VanDerWaalsContact O-CA 3.31Å; A614-M616 WeakPolarHBondContact O-CA 2.72Å; A614-M616 PolarHBondContact O-N 3.22Å; M616-R618 PolarHBondContact O-N 2.59Å | ||
| 617 | K | 30.1 | Very low | 51.2 | Low | 205 Ų | 205 | 133.9 Ų | 133.9 | 89% | 0.891 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -58.5 | 96.7 | 151.6 | -78.2 | -176.8 | 176.1 | 178.8 | 0 | 105.3 | K615 | K615-K617 PolarHBondContact O-N 3.15Š|
| 618 | R | 26.3 | Very low | 47.9 | Very low | 234 Ų | 234 | 138.4 Ų | 138.4 | 88% | 0.883 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 48.9 | 103.7 | 170.8 | -110.5 | 177 | 172.1 | 179.5 | -2.7 | 114.7 | M616 E620 | M616-R618 PolarHBondContact O-N 2.59Å; R618-E620 PolarHBondContact O-N 2.81Å |
| 619 | R | 27.5 | Very low | 44.6 | Very low | 212 Ų | 212 | 146.7 Ų | 146.7 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | trans | -13.6 | 96.4 | 161.1 | -74.9 | 177 | 167.4 | 173.8 | -4.3 | 114.1 | R621 | R619-R621 PolarHBondContact O-N 2.71Š| ||
| 620 | E | 24.3 | Very low | 41.2 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | -83.4 | 100.3 | 147.2 | -82.2 | -177.1 | 165.6 | 0 | 0 | 105.9 | R618 V622 | R618-E620 PolarHBondContact O-N 2.81Å; E620-V622 PolarHBondContact O-N 2.94Å | ||
| 621 | R | 27.6 | Very low | 38 | Very low | 204 Ų | 204 | 156.2 Ų | 156.2 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -67.5 | 106.2 | 157.1 | -88.2 | -178.5 | 173.5 | 177 | -4.1 | 105.5 | R619 K623 | R619-R621 PolarHBondContact O-N 2.71Å; R621-K623 PolarHBondContact O-N 3.15Å | ||
| 622 | V | 25.5 | Very low | 34.7 | Very low | 125 Ų | 125 | 160 Ų | 160 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | trans | -68.1 | 89.9 | 156.4 | -178.5 | 0 | 0 | 0 | 0 | 105.7 | E620 V624 | E620-V622 PolarHBondContact O-N 2.94Å; V622-V624 HydrophobicContact CG1-CG2 4.31Å; V622-V624 PolarHBondContact O-N 2.95Å | ||
| 623 | K | 25.1 | Very low | 31.8 | Very low | 171 Ų | 171 | 168.9 Ų | 168.9 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -73.9 | 108.2 | 157.5 | -99.5 | -173.1 | 171 | -172.2 | 0 | 105.3 | R621 E625 | R621-K623 PolarHBondContact O-N 3.15Å; K623-E625 PolarHBondContact O-N 3.09Å | ||
| 624 | V | 28 | Very low | 29.5 | Very low | 115 Ų | 115 | 172.9 Ų | 172.9 | 70% | 0.697 | 82% | 0.823 | S | S | * | * | trans | -66.2 | 113.6 | 157 | -179.8 | 0 | 0 | 0 | 0 | 105.6 | V622 G626 | V622-V624 HydrophobicContact CG1-CG2 4.31Å; V622-V624 PolarHBondContact O-N 2.95Å; V624-G626 PolarHBondContact O-N 2.85Å | ||
| 625 | E | 25.2 | Very low | 27.7 | Very low | 182 Ų | 182 | 177.5 Ų | 177.5 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -66 | 87.4 | 169.7 | -77.8 | -171.7 | 156.1 | 0 | 0 | 108.7 | K623 K627 | K623-E625 PolarHBondContact O-N 3.09Å; E625-K627 PolarHBondContact O-N 3.49Å; E625-K627 VanDerWaalsContact O-N 3.13Å | ||
| 626 | G | 26.6 | Very low | 26.9 | Very low | 69 Ų | 69 | 175.7 Ų | 175.7 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -64.2 | 106.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | V624 N628 | V624-G626 PolarHBondContact O-N 2.85Å; G626-N628 PolarHBondContact O-N 3.26Å; G626-N628 VanDerWaalsContact O-N 3.14Å | ||
| 627 | K | 27.9 | Very low | 26.6 | Very low | 205 Ų | 205 | 178.5 Ų | 178.5 | 89% | 0.891 | 84% | 0.836 | S | S | * | * | trans | -52.5 | 118.2 | 167.7 | -82.5 | 179.6 | 175.2 | 174.2 | 0 | 109.4 | E625 R629 | E625-K627 PolarHBondContact O-N 3.49Å; E625-K627 VanDerWaalsContact O-N 3.13Å; K627-R629 PolarHBondContact O-N 2.86Å | ||
| 628 | N | 25.6 | Very low | 26.3 | Very low | 156 Ų | 156 | 176.9 Ų | 176.9 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | 8.6 | 103.1 | 154.5 | -74 | -20.4 | 0 | 0 | 0 | 116.4 | G626 | G626-N628 PolarHBondContact O-N 3.26Å; G626-N628 VanDerWaalsContact O-N 3.14Å | ||
| 629 | R | 27.2 | Very low | 26.3 | Very low | 234 Ų | 234 | 173.1 Ų | 173.1 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -133 | 96.4 | 138.7 | -76.5 | -168.1 | 175.7 | 177.6 | -0.7 | 109.2 | K627 H631 | K627-R629 PolarHBondContact O-N 2.86Å; R629-H631 PolarHBondContact O-N 2.63Å | ||
| 630 | Q | 23.4 | Very low | 26.3 | Very low | 187 Ų | 187 | 170.3 Ų | 170.3 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -62.7 | 110.6 | 155.8 | -82.9 | -179.4 | -32.4 | 0 | 0 | 107.7 | ||||
| 631 | H | 27.9 | Very low | 26.4 | Very low | 172 Ų | 172 | 170.2 Ų | 170.2 | 80% | 0.796 | 83% | 0.834 | S | S | * | * | trans | -133.9 | 108.9 | 145 | -83.6 | -54.4 | 0 | 0 | 0 | 107.8 | R629 | R629-H631 PolarHBondContact O-N 2.63Š| ||
| 632 | S | 24.7 | Very low | 26.3 | Very low | 118 Ų | 118 | 167.4 Ų | 167.4 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | -61.1 | 127.5 | 161.4 | 52.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 633 | F | 28.6 | Very low | 26.4 | Very low | 275 Ų | 275 | 171.3 Ų | 171.3 | 100% | 1.206 | 85% | 0.847 | S | S | * | * | trans | -94.9 | 0 | 151.2 | -98.7 | -83.2 | 0 | 0 | 0 | 109 |
Retrieved 633 of 633 residues in 325.6 ms
(Link to these results)