| 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 | 56.6 | Low | 84.8 | Confident | 227 Ų | 227 | 106.5 Ų | 106.5 | 100% | 1.118 | 57% | 0.574 | S | S | * | * | 0 | 131.7 | 0 | -167.8 | 171.7 | -177.4 | 0 | 0 | 107.7 | L3 | M1-L3 PolarHBondContact O-N 3.31Š| |||
| 2 | R | 74.6 | Confident | 85.6 | Confident | 216 Ų | 216 | 99.9 Ų | 99.9 | 82% | 0.815 | 54% | 0.542 | S | S | * | . | trans | -67.1 | 126.5 | 173.5 | -71.7 | -176.4 | -179.7 | -179 | 0.3 | 107.8 | V4 | R2-V4 VanDerWaalsContact C-N 3.28Š| ||
| 3 | L | 80.7 | Confident | 85.9 | Confident | 76 Ų | 76 | 96.4 Ų | 96.4 | 40% | 0.398 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -78.6 | -15.3 | -179.6 | -67.3 | 174.5 | 0 | 0 | 0 | 112.9 | M1 A330 L331 T334 | M1-L3 PolarHBondContact O-N 3.31Å; L3-A330 HydrophobicContact CD2-CB 3.8Å; L3-L331 HydrophobicContact CB-CD1 4.44Å; L3-L331 HydrophobicContact CD1-CD1 4.06Å; L3-T334 HydrophobicContact CD1-CG2 4.35Å |
| 4 | V | 84.8 | Confident | 85.9 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 29% | 0.291 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -141.4 | 134.4 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 107 | R2 L290 D291 | R2-V4 VanDerWaalsContact C-N 3.28Å; V4-L290 HydrophobicContact CG2-CD1 4.03Å; V4-D291 WeakPolarHBondContact CA-OD1 3.49Å; V4-D291 WeakPolarHBondContact CG1-OD1 3.39Å |
| 5 | H | 89.6 | Confident | 86.1 | Confident | 92 Ų | 92 | 102.2 Ų | 102.2 | 43% | 0.426 | 55% | 0.553 | S | S | . | * | trans | -154.1 | 151.2 | -178.5 | 65.1 | -69.5 | 0 | 0 | 0 | 111.1 | K130 D291 | H5-K130 PolarHBondContact O-NZ 2.97Å; H5-D291 IonicContact CE1-OD2 3.69Å; H5-D291 PolarHBondContact CE1-OD2 3.45Å; H5-D291 IonicContact CG-OD2 3.09Å; H5-D291 PolarHBondContact N-OD1 3.2Å; H5-D291 PolarHBondContact N-OD2 3.06Å; H5-D291 IonicContact ND1-OD2 3.63Å; H5-D291 PolarHBondContact ND1-OD2 2.68Å; H5-D291 WeakPolarHBondContact O-CB 3.38Å | ||
| 6 | S | 91.9 | Very high | 86.4 | Confident | 89 Ų | 89 | 99.9 Ų | 99.9 | 62% | 0.622 | 55% | 0.547 | S | S | * | . | trans | -74.1 | 150.7 | 176.7 | -68.3 | 0 | 0 | 0 | 0 | 112 | E294 | S6-E294 WeakPolarHBondContact CA-OE2 3.32Å; S6-E294 VanDerWaalsContact CB-OE2 3.24Å; S6-E294 WeakPolarHBondContact CB-OE2 3.2Å; S6-E294 PolarHBondContact OG-OE1 3.48Å; S6-E294 PolarHBondContact OG-OE2 3.29Å | ||
| 7 | V | 91.8 | Very high | 86.9 | Confident | 34 Ų | 34 | 94.2 Ų | 94.2 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | trans | -105.1 | 149.4 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | D291 R292 E294 L295 | V7-D291 HydrophobicContact CG1-CB 3.95Å; V7-R292 HydrophobicContact CG1-CG 4.45Å; V7-E294 HydrophobicContact CG2-CB 3.89Å; V7-E294 WeakPolarHBondContact CG2-OE2 2.91Å; V7-E294 PolarHBondContact N-OE2 3.16Å; V7-L295 HydrophobicContact CG2-CD2 3.99Å; V7-L295 HydrophobicContact CG2-CG 3.91Å | ||
| 8 | A | 91.1 | Very high | 87.3 | Confident | 82 Ų | 82 | 89.6 Ų | 89.6 | 68% | 0.678 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 146.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L295 | A8-L295 WeakPolarHBondContact O-CD2 3.45Š|
| 9 | P | 90.4 | Very high | 87.7 | Confident | 107 Ų | 107 | 84.9 Ų | 84.9 | 70% | 0.695 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 145.2 | 174.1 | -25.6 | 34.5 | 0 | 0 | 0 | 112.4 | N11 | P9-N11 PolarHBondContact O-N 2.89Š|
| 10 | L | 92 | Very high | 88.1 | Confident | 57 Ų | 57 | 82 Ų | 82 | 30% | 0.298 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 120.9 | 176.1 | 179.1 | 66.5 | 0 | 0 | 0 | 110.2 | S248 Y285 L295 | L10-S248 WeakPolarHBondContact CD2-O 2.83Å; L10-Y285 WeakPolarHBondContact CD2-OH 3.38Å; L10-L295 HydrophobicContact CB-CD1 4.27Å; L10-L295 HydrophobicContact CB-CD2 4.32Å |
| 11 | N | 89.5 | Confident | 88.5 | Confident | 144 Ų | 144 | 78.2 Ų | 78.2 | 77% | 0.77 | 43% | 0.428 | S | S | * | . | trans | -97.8 | 101.2 | 173.3 | -69.4 | -24.6 | 0 | 0 | 0 | 110 | P9 | P9-N11 PolarHBondContact O-N 2.89Š| ||
| 12 | C | 93.7 | Very high | 90.4 | Very high | 27 Ų | 27 | 71.1 Ų | 71.1 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | trans | -81.1 | -174 | 166.7 | -62.9 | 0 | 0 | 0 | 0 | 111 | N14 C249 | C12-N14 PolarHBondContact O-N 3.13Å; C12-C249 WeakPolarHBondContact CA-SG 3.32Å; C12-C249 HydrophobicContact CB-CB 3.71Å; C12-C249 WeakPolarHBondContact CB-SG 3.34Å; C12-C249 WeakPolarHBondContact SG-CB 3.24Å; C12-C249 CovalentContact SG-SG 2.04Å; C12-C249 PolarHBondContact SG-SG 2.89Å | ||
| 13 | S | 89.5 | Confident | 91.3 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 38% | 0.378 | 37% | 0.37 | S | S | . | . | trans | -58.9 | 134.2 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | E15 G251 S252 | S13-E15 PolarHBondContact OG-N 2.93Å; S13-E15 VanDerWaalsContact OG-N 3.15Å; S13-E15 PolarHBondContact OG-O 3.14Å; S13-G251 VanDerWaalsContact CB-O 3.29Å; S13-G251 WeakPolarHBondContact CB-O 3.46Å; S13-G251 PolarHBondContact N-O 2.75Å; S13-S252 VanDerWaalsContact O-CA 3.32Å; S13-S252 WeakPolarHBondContact O-CA 3.43Å; S13-S252 VanDerWaalsContact O-CB 3.3Å; S13-S252 WeakPolarHBondContact O-CB 3.47Å | ||
| 14 | N | 86.9 | Confident | 92 | Very high | 165 Ų | 165 | 61.2 Ų | 61.2 | 88% | 0.882 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -71.3 | -23.2 | 170.3 | -69 | -21.9 | 0 | 0 | 0 | 111.9 | C12 S16 | C12-N14 PolarHBondContact O-N 3.13Å; N14-S16 PolarHBondContact O-N 3.09Å |
| 15 | E | 88.5 | Confident | 92.6 | Very high | 115 Ų | 115 | 62.9 Ų | 62.9 | 54% | 0.537 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -77.4 | 120.2 | 174.7 | -62.5 | -168.8 | 155.7 | 0 | 0 | 109.5 | S13 K83 S252 | S13-E15 PolarHBondContact OG-N 2.93Å; S13-E15 VanDerWaalsContact OG-N 3.15Å; S13-E15 PolarHBondContact OG-O 3.14Å; E15-K83 IonicContact OE1-NZ 3.99Å; E15-S252 WeakPolarHBondContact O-CB 3.28Å |
| 16 | S | 91.2 | Very high | 92.9 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 46% | 0.462 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 141.6 | 179.7 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | N14 W18 | N14-S16 PolarHBondContact O-N 3.09Å; S16-W18 PolarHBondContact O-N 3.31Å |
| 17 | N | 94.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 125.5 | 170 | -75.6 | -24 | 0 | 0 | 0 | 111.1 | F19 K29 Y85 N87 L250 G251 S252 E253 | N17-F19 PolarHBondContact O-N 3.25Å; N17-K29 WeakPolarHBondContact O-CD 3.31Å; N17-Y85 HydrophobicContact CB-CE2 4.45Å; N17-N87 VanDerWaalsContact CG-ND2 3.3Å; N17-N87 PolarHBondContact ND2-ND2 2.82Å; N17-N87 PolarHBondContact OD1-ND2 3.42Å; N17-L250 PolarHBondContact ND2-O 3.12Å; N17-L250 VanDerWaalsContact ND2-O 3.08Å; N17-G251 WeakPolarHBondContact OD1-CA 3.34Å; N17-S252 PolarHBondContact N-OG 3.22Å; N17-S252 VanDerWaalsContact N-OG 3.08Å; N17-S252 PolarHBondContact OD1-N 3.45Å; N17-E253 PolarHBondContact ND2-OE2 3.43Å |
| 18 | W | 93.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -65.3 | -29.8 | -178.6 | -63.9 | 3.3 | 0 | 0 | 0 | 112.4 | S16 K29 A32 P34 I39 C77 A79 K83 Y85 | S16-W18 PolarHBondContact O-N 3.31Å; W18-K29 PolarHBondContact O-N 3.42Å; W18-A32 PolarHBondContact NE1-O 3.48Å; W18-P34 HydrophobicContact CZ2-CG 4.15Å; W18-I39 HydrophobicContact CE3-CD1 4.45Å; W18-I39 HydrophobicContact CE3-CG2 4.49Å; W18-I39 HydrophobicContact CZ3-CG2 3.98Å; W18-C77 HydrophobicContact CE3-CB 3.81Å; W18-C77 HydrophobicContact CZ3-CB 3.54Å; W18-A79 HydrophobicContact CH2-CB 3.83Å; W18-A79 HydrophobicContact CZ3-CB 4.4Å; W18-K83 HydrophobicContact CH2-CB 4.4Å; W18-K83 HydrophobicContact CZ2-CB 4.34Å; W18-Y85 HydrophobicContact CB-CD1 4.12Å; W18-Y85 HydrophobicContact CB-CD2 4.16Å; W18-Y85 HydrophobicContact CB-CE1 4.13Å; W18-Y85 HydrophobicContact CB-CE2 4.19Å; W18-Y85 HydrophobicContact CB-CG 4.11Å; W18-Y85 VanDerWaalsContact CD2-CB 3.5Å; W18-Y85 HydrophobicContact CD2-CD1 4.37Å; W18-Y85 HydrophobicContact CD2-CD2 4.03Å; W18-Y85 AromaticContact CD2-CG 3.73Å; W18-Y85 HydrophobicContact CD2-CG 3.73Å; W18-Y85 HydrophobicContact CE3-CD1 4.31Å; W18-Y85 AromaticContact CE3-CG 3.91Å; W18-Y85 HydrophobicContact CE3-CG 3.91Å; W18-Y85 HydrophobicContact CG-CD1 4.33Å; W18-Y85 AromaticContact CG-CD2 3.79Å; W18-Y85 HydrophobicContact CG-CD2 3.79Å; W18-Y85 HydrophobicContact CG-CE2 4.23Å; W18-Y85 AromaticContact CG-CG 3.84Å; W18-Y85 HydrophobicContact CG-CG 3.84Å |
| 19 | F | 95.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 157.3 | 177.2 | -70.4 | -90.5 | 0 | 0 | 0 | 111.7 | N17 L26 I27 L28 C41 A62 I75 Y85 H89 | N17-F19 PolarHBondContact O-N 3.25Å; F19-L26 HydrophobicContact CB-CD1 3.99Å; F19-L26 HydrophobicContact CD1-CD1 3.6Å; F19-L26 HydrophobicContact CD1-CD2 3.76Å; F19-L26 HydrophobicContact CD1-CG 3.6Å; F19-L26 HydrophobicContact CE1-CD1 4.42Å; F19-L26 HydrophobicContact CE1-CD2 3.72Å; F19-L26 HydrophobicContact CE1-CG 4.02Å; F19-L26 HydrophobicContact CG-CD1 4.09Å; F19-I27 CarbonylContact C-O 3.57Å; F19-I27 WeakPolarHBondContact CA-O 3.37Å; F19-L28 HydrophobicContact CD1-CB 4.16Å; F19-L28 HydrophobicContact CD1-CD1 4.11Å; F19-L28 HydrophobicContact CD2-CD1 4.33Å; F19-L28 HydrophobicContact CE1-CB 3.85Å; F19-L28 HydrophobicContact CE1-CD1 3.65Å; F19-L28 HydrophobicContact CE1-CG 4.3Å; F19-L28 HydrophobicContact CE2-CD1 3.84Å; F19-L28 HydrophobicContact CG-CD1 4.46Å; F19-L28 HydrophobicContact CZ-CD1 3.52Å; F19-C41 HydrophobicContact CE2-CB 4.35Å; F19-C41 VanDerWaalsContact CE2-SG 3.59Å; F19-C41 HydrophobicContact CZ-CB 4.26Å; F19-A62 HydrophobicContact CZ-CB 4.38Å; F19-I75 HydrophobicContact CB-CD1 3.91Å; F19-I75 HydrophobicContact CD1-CD1 4.06Å; F19-I75 HydrophobicContact CD2-CD1 3.9Å; F19-I75 HydrophobicContact CD2-CG2 3.99Å; F19-I75 HydrophobicContact CE2-CD1 4.42Å; F19-I75 HydrophobicContact CE2-CG2 4.08Å; F19-I75 HydrophobicContact CG-CD1 3.68Å; F19-Y85 HydrophobicContact CD2-CD1 4.43Å; F19-Y85 HydrophobicContact CD2-CE1 4.03Å; F19-H89 PolarHBondContact O-CE1 3.37Å |
| 20 | T | 95.4 | Very high | 93 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 15% | 0.153 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 169.6 | 160.1 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | I27 | T20-I27 HydrophobicContact CG2-CB 3.81Å; T20-I27 HydrophobicContact CG2-CD1 4.36Å; T20-I27 HydrophobicContact CG2-CG2 4.2Å; T20-I27 PolarHBondContact N-O 3.43Å; T20-I27 PolarHBondContact O-N 2.77Å |
| 21 | A | 96.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 139.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K25 L68 F73 T91 | A21-K25 WeakPolarHBondContact CA-O 3.45Å; A21-K25 WeakPolarHBondContact CB-O 3.3Å; A21-L68 HydrophobicContact CB-CD1 3.89Å; A21-F73 HydrophobicContact CB-CE1 3.85Å; A21-F73 HydrophobicContact CB-CZ 3.61Å; A21-T91 HydrophobicContact CB-CG2 4.07Å |
| 22 | R | 95.8 | Very high | 92.4 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 144 | 178.8 | -70.1 | -62.3 | -175.3 | -136.5 | -4 | 108.9 | G24 K25 I27 T91 S261 D265 | R22-G24 PolarHBondContact O-N 2.81Å; R22-K25 PolarHBondContact N-O 2.75Å; R22-K25 VanDerWaalsContact N-O 3.09Å; R22-K25 PolarHBondContact O-N 3.27Å; R22-I27 HydrophobicContact CB-CD1 4.23Å; R22-T91 WeakPolarHBondContact CA-OG1 3.13Å; R22-S261 PolarHBondContact NH1-O 2.89Å; R22-S261 PolarHBondContact NH1-OG 2.81Å; R22-S261 VanDerWaalsContact NH1-OG 3.16Å; R22-D265 WeakPolarHBondContact CA-OD1 3.47Å; R22-D265 WeakPolarHBondContact CD-OD1 3.42Å |
| 23 | N | 93.9 | Very high | 91.8 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.4 | 176.4 | -163.3 | 31.7 | 0 | 0 | 0 | 114.3 | K25 T91 I92 D265 T269 | N23-K25 PolarHBondContact O-N 2.65Å; N23-T91 PolarHBondContact N-OG1 3.19Å; N23-I92 CarbonylContact C-O 3.44Å; N23-D265 PolarHBondContact N-OD1 2.98Å; N23-D265 PolarHBondContact N-OD2 3.04Å; N23-T269 WeakPolarHBondContact CA-OG1 3.27Å; N23-T269 WeakPolarHBondContact OD1-CA 3.41Å; N23-T269 WeakPolarHBondContact OD1-CB 3.25Å; N23-T269 VanDerWaalsContact OD1-CG2 3.3Å; N23-T269 WeakPolarHBondContact OD1-CG2 3.4Å; N23-T269 PolarHBondContact OD1-OG1 3.12Å; N23-T269 VanDerWaalsContact OD1-OG1 3.13Å |
| 24 | G | 95.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 20 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R22 L68 T91 I92 | R22-G24 PolarHBondContact O-N 2.81Å; G24-L68 WeakPolarHBondContact O-CB 3.25Å; G24-L68 PolarHBondContact O-N 2.9Å; G24-T91 PolarHBondContact N-OG1 3.4Å; G24-T91 VanDerWaalsContact N-OG1 3.16Å; G24-I92 WeakPolarHBondContact CA-O 3.21Å; G24-I92 PolarHBondContact N-O 3.36Å |
| 25 | K | 97.1 | Very high | 90.2 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.9 | 178 | -63.7 | -172.8 | 177.1 | -170.9 | 0 | 111.8 | A21 R22 N23 N65 M66 | A21-K25 WeakPolarHBondContact CA-O 3.45Å; A21-K25 WeakPolarHBondContact CB-O 3.3Å; R22-K25 PolarHBondContact N-O 2.75Å; R22-K25 VanDerWaalsContact N-O 3.09Å; R22-K25 PolarHBondContact O-N 3.27Å; N23-K25 PolarHBondContact O-N 2.65Å; K25-N65 WeakPolarHBondContact CD-OD1 3.46Å; K25-M66 WeakPolarHBondContact CA-O 3.39Å |
| 26 | L | 97 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 137.6 | 169.4 | -173.3 | 64.1 | 0 | 0 | 0 | 110 | F19 L43 A62 N65 M66 L68 F73 I75 | F19-L26 HydrophobicContact CB-CD1 3.99Å; F19-L26 HydrophobicContact CD1-CD1 3.6Å; F19-L26 HydrophobicContact CD1-CD2 3.76Å; F19-L26 HydrophobicContact CD1-CG 3.6Å; F19-L26 HydrophobicContact CE1-CD1 4.42Å; F19-L26 HydrophobicContact CE1-CD2 3.72Å; F19-L26 HydrophobicContact CE1-CG 4.02Å; F19-L26 HydrophobicContact CG-CD1 4.09Å; L26-L43 HydrophobicContact CD2-CD1 3.95Å; L26-A62 HydrophobicContact CD2-CB 3.96Å; L26-N65 WeakPolarHBondContact O-CA 3.49Å; L26-N65 PolarHBondContact O-N 3.41Å; L26-M66 HydrophobicContact CB-CG 3.75Å; L26-M66 HydrophobicContact CD2-CG 4.08Å; L26-M66 HydrophobicContact CD2-SD 4.03Å; L26-M66 PolarHBondContact N-O 3.16Å; L26-L68 HydrophobicContact CB-CD2 4.32Å; L26-F73 HydrophobicContact CD1-CE2 3.68Å; L26-F73 HydrophobicContact CD1-CZ 3.76Å; L26-I75 HydrophobicContact CD1-CD1 3.53Å; L26-I75 HydrophobicContact CD2-CD1 3.97Å; L26-I75 HydrophobicContact CG-CD1 4.39Å |
| 27 | I | 96.2 | Very high | 87.6 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 34% | 0.338 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 120.1 | 179.1 | -56.9 | 169 | 0 | 0 | 0 | 108.3 | F19 T20 R22 D64 | F19-I27 CarbonylContact C-O 3.57Å; F19-I27 WeakPolarHBondContact CA-O 3.37Å; T20-I27 HydrophobicContact CG2-CB 3.81Å; T20-I27 HydrophobicContact CG2-CD1 4.36Å; T20-I27 HydrophobicContact CG2-CG2 4.2Å; T20-I27 PolarHBondContact N-O 3.43Å; T20-I27 PolarHBondContact O-N 2.77Å; R22-I27 HydrophobicContact CB-CD1 4.23Å; I27-D64 WeakPolarHBondContact CA-OD1 3.19Å |
| 28 | L | 93.7 | Very high | 86.8 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.7 | 173.9 | 178.4 | 63.7 | 0 | 0 | 0 | 109.6 | F19 Q30 V33 I39 D64 | F19-L28 HydrophobicContact CD1-CB 4.16Å; F19-L28 HydrophobicContact CD1-CD1 4.11Å; F19-L28 HydrophobicContact CD2-CD1 4.33Å; F19-L28 HydrophobicContact CE1-CB 3.85Å; F19-L28 HydrophobicContact CE1-CD1 3.65Å; F19-L28 HydrophobicContact CE1-CG 4.3Å; F19-L28 HydrophobicContact CE2-CD1 3.84Å; F19-L28 HydrophobicContact CG-CD1 4.46Å; F19-L28 HydrophobicContact CZ-CD1 3.52Å; L28-Q30 VanDerWaalsContact CD2-NE2 3.29Å; L28-Q30 PolarHBondContact O-N 3.13Å; L28-V33 HydrophobicContact CD1-CG2 3.72Å; L28-V33 HydrophobicContact CG-CG2 4.33Å; L28-I39 HydrophobicContact CD1-CD1 3.97Å; L28-D64 HydrophobicContact CB-CB 3.76Å; L28-D64 HydrophobicContact CD2-CB 4.47Å; L28-D64 PolarHBondContact N-OD1 2.98Å |
| 29 | K | 92.5 | Very high | 86.5 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | trans | -83.4 | 90.4 | 173.4 | -59.6 | -165.8 | -166.7 | 171.3 | 0 | 109 | N17 W18 E31 A32 V33 | N17-K29 WeakPolarHBondContact O-CD 3.31Å; W18-K29 PolarHBondContact O-N 3.42Å; K29-E31 PolarHBondContact O-N 3.15Å; K29-E31 VanDerWaalsContact O-N 3.16Å; K29-A32 HydrophobicContact CB-CB 3.92Å; K29-A32 WeakPolarHBondContact O-CB 3.46Å; K29-A32 PolarHBondContact O-N 3.47Å; K29-V33 PolarHBondContact O-N 2.64Å | ||
| 30 | Q | 84.9 | Confident | 86.3 | Confident | 121 Ų | 121 | 69.3 Ų | 69.3 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -53.4 | -36.9 | -175.7 | -69.8 | -68.5 | -16.1 | 0 | 0 | 112.7 | L28 A32 V33 | L28-Q30 VanDerWaalsContact CD2-NE2 3.29Å; L28-Q30 PolarHBondContact O-N 3.13Å; Q30-A32 PolarHBondContact O-N 2.88Å; Q30-V33 PolarHBondContact O-N 3.2Å |
| 31 | E | 84.6 | Confident | 86.4 | Confident | 159 Ų | 159 | 68.6 Ų | 68.6 | 74% | 0.743 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -67.2 | -20 | 177.4 | 67.5 | -81.6 | -171.3 | 0 | 0 | 114.4 | K29 | K29-E31 PolarHBondContact O-N 3.15Å; K29-E31 VanDerWaalsContact O-N 3.16Å |
| 32 | A | 84.2 | Confident | 86.4 | Confident | 20 Ų | 20 | 73 Ų | 73 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -92.7 | -15.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W18 K29 Q30 | W18-A32 PolarHBondContact NE1-O 3.48Å; K29-A32 HydrophobicContact CB-CB 3.92Å; K29-A32 WeakPolarHBondContact O-CB 3.46Å; K29-A32 PolarHBondContact O-N 3.47Å; Q30-A32 PolarHBondContact O-N 2.88Å |
| 33 | V | 80 | Confident | 86.5 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 12% | 0.121 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -76.4 | 138 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | L28 K29 Q30 Q35 I39 | L28-V33 HydrophobicContact CD1-CG2 3.72Å; L28-V33 HydrophobicContact CG-CG2 4.33Å; K29-V33 PolarHBondContact O-N 2.64Å; Q30-V33 PolarHBondContact O-N 3.2Å; V33-Q35 PolarHBondContact O-N 3Å; V33-I39 HydrophobicContact CG1-CD1 4.09Å; V33-I39 HydrophobicContact CG1-CG2 3.64Å; V33-I39 HydrophobicContact CG2-CD1 3.98Å |
| 34 | P | 75.3 | Confident | 86.7 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 14% | 0.143 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -54 | 128.1 | 174 | -23.8 | 33.3 | 0 | 0 | 0 | 111.5 | W18 N36 A37 A79 K83 | W18-P34 HydrophobicContact CZ2-CG 4.15Å; P34-N36 PolarHBondContact O-N 3.16Å; P34-A37 HydrophobicContact CB-CB 3.96Å; P34-A37 WeakPolarHBondContact O-CB 3.4Å; P34-A37 PolarHBondContact O-N 2.76Å; P34-A37 VanDerWaalsContact O-N 3.08Å; P34-A79 HydrophobicContact CG-CB 4.33Å; P34-K83 HydrophobicContact CG-CD 4.05Å |
| 35 | Q | 68.3 | Low | 86.8 | Confident | 194 Ų | 194 | 67.4 Ų | 67.4 | 91% | 0.907 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 132.8 | -177.9 | -72.3 | -177.1 | -6.5 | 0 | 0 | 111.3 | V33 A37 | V33-Q35 PolarHBondContact O-N 3Å; Q35-A37 PolarHBondContact O-N 2.97Å |
| 36 | N | 60 | Low | 86.9 | Confident | 177 Ų | 177 | 63.5 Ų | 63.5 | 95% | 0.947 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 10.7 | -177.7 | -63.6 | -17.9 | 0 | 0 | 0 | 116.5 | P34 | P34-N36 PolarHBondContact O-N 3.16Š|
| 37 | A | 64.4 | Low | 86.9 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 119.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P34 Q35 I39 A79 | P34-A37 HydrophobicContact CB-CB 3.96Å; P34-A37 WeakPolarHBondContact O-CB 3.4Å; P34-A37 PolarHBondContact O-N 2.76Å; P34-A37 VanDerWaalsContact O-N 3.08Å; Q35-A37 PolarHBondContact O-N 2.97Å; A37-I39 PolarHBondContact O-N 3.23Å; A37-A79 HydrophobicContact CB-CB 4.24Å |
| 38 | S | 77.9 | Confident | 86.9 | Confident | 104 Ų | 104 | 64 Ų | 64 | 73% | 0.727 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -63 | 120.7 | 156.7 | -59.1 | 0 | 0 | 0 | 0 | 107.9 | A80 | S38-A80 PolarHBondContact O-N 3.23Š|
| 39 | I | 87.3 | Confident | 87.1 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.8 | 173.5 | 62.9 | 178.5 | 0 | 0 | 0 | 109.9 | W18 L28 V33 A37 A79 | W18-I39 HydrophobicContact CE3-CD1 4.45Å; W18-I39 HydrophobicContact CE3-CG2 4.49Å; W18-I39 HydrophobicContact CZ3-CG2 3.98Å; L28-I39 HydrophobicContact CD1-CD1 3.97Å; V33-I39 HydrophobicContact CG1-CD1 4.09Å; V33-I39 HydrophobicContact CG1-CG2 3.64Å; V33-I39 HydrophobicContact CG2-CD1 3.98Å; A37-I39 PolarHBondContact O-N 3.23Å; I39-A79 HydrophobicContact CG2-CB 3.99Å |
| 40 | Q | 92 | Very high | 87.2 | Confident | 162 Ų | 162 | 66.9 Ų | 66.9 | 76% | 0.757 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.1 | 166.1 | -69.8 | -177.3 | -15.6 | 0 | 0 | 107.9 | C77 A78 | Q40-C77 CarbonylContact O-C 3.59Å; Q40-C77 WeakPolarHBondContact O-CA 3.39Å; Q40-C77 WeakPolarHBondContact O-CB 3.43Å; Q40-A78 PolarHBondContact N-O 2.98Å; Q40-A78 PolarHBondContact O-N 2.85Å |
| 41 | C | 95.6 | Very high | 87.6 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.7 | -175.5 | -67.1 | 0 | 0 | 0 | 0 | 111 | F19 A62 Q76 C77 | F19-C41 HydrophobicContact CE2-CB 4.35Å; F19-C41 VanDerWaalsContact CE2-SG 3.59Å; F19-C41 HydrophobicContact CZ-CB 4.26Å; C41-A62 HydrophobicContact CB-CB 3.67Å; C41-A62 PolarHBondContact O-N 2.66Å; C41-Q76 CarbonylContact C-O 3.51Å; C41-Q76 WeakPolarHBondContact CA-O 3.23Å; C41-C77 HydrophobicContact CB-CB 4.06Å; C41-C77 WeakPolarHBondContact CB-SG 3.36Å; C41-C77 WeakPolarHBondContact SG-CB 3.36Å; C41-C77 CovalentContact SG-SG 2.04Å; C41-C77 PolarHBondContact SG-SG 3.03Å |
| 42 | E | 97.4 | Very high | 88.1 | Confident | 97 Ų | 97 | 57.8 Ų | 57.8 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.9 | 170.6 | -64.7 | -173.4 | 157.8 | 0 | 0 | 109.8 | R59 S60 I75 Q76 | E42-R59 WeakPolarHBondContact OE2-CD 3.14Å; E42-R59 IonicContact OE2-CZ 3.93Å; E42-R59 IonicContact OE2-NE 2.91Å; E42-R59 IonicContact OE2-NH1 3.05Å; E42-R59 PolarHBondContact OE2-NH1 3Å; E42-S60 WeakPolarHBondContact CA-O 3.42Å; E42-I75 WeakPolarHBondContact O-CA 3.36Å; E42-Q76 PolarHBondContact N-O 3.39Å; E42-Q76 PolarHBondContact O-N 3.07Å |
| 43 | L | 97.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132 | 171.3 | -176.1 | 150.6 | 0 | 0 | 0 | 108.9 | L26 P45 R59 S60 A62 M66 L68 F73 K74 I75 | L26-L43 HydrophobicContact CD2-CD1 3.95Å; L43-P45 HydrophobicContact CD2-CB 4.46Å; L43-P45 HydrophobicContact CD2-CG 3.67Å; L43-R59 WeakPolarHBondContact O-CA 3.5Å; L43-S60 PolarHBondContact N-O 2.81Å; L43-S60 PolarHBondContact O-N 2.94Å; L43-A62 HydrophobicContact CB-CB 3.89Å; L43-M66 HydrophobicContact CD1-SD 4.27Å; L43-L68 HydrophobicContact CD1-CD2 3.56Å; L43-L68 HydrophobicContact CD2-CD2 4.48Å; L43-F73 HydrophobicContact CD1-CB 4.34Å; L43-F73 HydrophobicContact CD1-CD2 3.43Å; L43-F73 VanDerWaalsContact CD1-CD2 3.43Å; L43-F73 HydrophobicContact CD1-CE2 3.81Å; L43-F73 HydrophobicContact CD1-CG 3.88Å; L43-F73 HydrophobicContact CD2-CB 3.86Å; L43-F73 HydrophobicContact CD2-CD2 4.43Å; L43-F73 HydrophobicContact CD2-CG 4.27Å; L43-F73 HydrophobicContact CG-CB 3.97Å; L43-F73 HydrophobicContact CG-CD2 3.7Å; L43-F73 HydrophobicContact CG-CG 4.03Å; L43-K74 CarbonylContact C-O 3.6Å; L43-K74 WeakPolarHBondContact CA-O 3.45Å; L43-I75 HydrophobicContact CB-CG1 4.35Å; L43-I75 HydrophobicContact CD1-CD1 4.26Å; L43-I75 HydrophobicContact CD1-CG1 4.29Å; L43-I75 HydrophobicContact CG-CG1 4.3Å |
| 44 | Q | 98.1 | Very high | 89.4 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 103.9 | 176 | -167.1 | 169.7 | 31.5 | 0 | 0 | 109.9 | T56 L57 R59 F73 K74 | Q44-T56 HydrophobicContact CG-CG2 3.46Å; Q44-T56 VanDerWaalsContact CG-CG2 3.46Å; Q44-L57 WeakPolarHBondContact CG-O 3.48Å; Q44-R59 HydrophobicContact CB-CG 4.06Å; Q44-R59 HydrophobicContact CG-CG 3.94Å; Q44-F73 WeakPolarHBondContact O-CA 3.35Å; Q44-K74 PolarHBondContact N-O 2.89Å; Q44-K74 PolarHBondContact O-N 2.89Å |
| 45 | P | 98.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.032 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 156.6 | 177.4 | -4.2 | 20 | 0 | 0 | 0 | 111.3 | L43 L57 D58 T70 | L43-P45 HydrophobicContact CD2-CB 4.46Å; L43-P45 HydrophobicContact CD2-CG 3.67Å; P45-L57 HydrophobicContact CB-CB 4.26Å; P45-L57 HydrophobicContact CB-CD1 4.19Å; P45-L57 HydrophobicContact CB-CG 4.48Å; P45-L57 HydrophobicContact CG-CB 4.32Å; P45-L57 PolarHBondContact O-N 3.1Å; P45-D58 VanDerWaalsContact CD-O 3.27Å; P45-D58 WeakPolarHBondContact CD-O 3.28Å; P45-T70 HydrophobicContact CB-CG2 4.13Å; P45-T70 WeakPolarHBondContact CB-OG1 3.22Å |
| 46 | F | 98.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 152.9 | 172.8 | 58.1 | -91.6 | 0 | 0 | 0 | 111.7 | V54 K55 F72 Y88 F234 K237 | F46-V54 HydrophobicContact CD2-CB 4.48Å; F46-K55 CarbonylContact C-O 3.26Å; F46-K55 VanDerWaalsContact CA-O 3.29Å; F46-K55 WeakPolarHBondContact CA-O 3.35Å; F46-F72 HydrophobicContact CD1-CB 4.45Å; F46-F72 HydrophobicContact CD2-CB 3.86Å; F46-F72 HydrophobicContact CE1-CB 3.99Å; F46-F72 HydrophobicContact CE2-CB 3.31Å; F46-F72 HydrophobicContact CE2-CD2 4.22Å; F46-F72 HydrophobicContact CE2-CG 4.02Å; F46-F72 HydrophobicContact CG-CB 4.4Å; F46-F72 HydrophobicContact CZ-CB 3.4Å; F46-F72 HydrophobicContact CZ-CG 4.4Å; F46-F72 PolarHBondContact N-O 3.33Å; F46-F72 VanDerWaalsContact N-O 3.09Å; F46-Y88 HydrophobicContact CE1-CD1 4.48Å; F46-F234 HydrophobicContact CZ-CD2 4.13Å; F46-K237 HydrophobicContact CD1-CG 3.9Å; F46-K237 HydrophobicContact CD2-CB 3.91Å; F46-K237 HydrophobicContact CD2-CG 4.08Å; F46-K237 HydrophobicContact CE1-CB 4.19Å; F46-K237 HydrophobicContact CE1-CG 3.76Å; F46-K237 HydrophobicContact CE2-CB 3.51Å; F46-K237 HydrophobicContact CE2-CG 3.94Å; F46-K237 HydrophobicContact CG-CB 4.4Å; F46-K237 HydrophobicContact CG-CG 4.05Å; F46-K237 HydrophobicContact CZ-CB 3.65Å; F46-K237 HydrophobicContact CZ-CG 3.77Å |
| 47 | V | 97.7 | Very high | 93.7 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.285 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 168.1 | -172.7 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | N49 V54 K55 L57 T70 | V47-N49 PolarHBondContact O-N 2.67Å; V47-V54 WeakPolarHBondContact O-CA 3.44Å; V47-K55 HydrophobicContact CG2-CB 3.95Å; V47-K55 HydrophobicContact CG2-CD 4.47Å; V47-K55 HydrophobicContact CG2-CG 4.47Å; V47-K55 PolarHBondContact N-O 2.96Å; V47-K55 PolarHBondContact O-N 3.36Å; V47-L57 HydrophobicContact CG1-CD1 4.29Å; V47-L57 HydrophobicContact CG2-CD2 4.38Å; V47-T70 HydrophobicContact CG1-CG2 3.26Å |
| 48 | F | 97.1 | Very high | 95.3 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 130.6 | 168.9 | -174.4 | -96.5 | 0 | 0 | 0 | 110.8 | D50 K223 Q225 Y230 N233 | F48-D50 VanDerWaalsContact CZ-CA 3.46Å; F48-K223 WeakPolarHBondContact CE1-O 3.19Å; F48-Q225 HydrophobicContact CB-CB 4.46Å; F48-Q225 HydrophobicContact CD1-CB 4.05Å; F48-Q225 HydrophobicContact CD2-CB 4.4Å; F48-Q225 HydrophobicContact CD2-CG 4.44Å; F48-Q225 HydrophobicContact CE1-CB 4.37Å; F48-Q225 HydrophobicContact CG-CB 4.05Å; F48-Q225 HydrophobicContact CG-CG 4.35Å; F48-Y230 HydrophobicContact CD2-CD1 4.01Å; F48-Y230 HydrophobicContact CD2-CE1 4.15Å; F48-Y230 HydrophobicContact CE2-CD1 4.27Å; F48-Y230 HydrophobicContact CE2-CE1 4.02Å; F48-N233 WeakPolarHBondContact CB-ND2 3.21Å; F48-N233 WeakPolarHBondContact CD2-OD1 3.36Å |
| 49 | N | 96.7 | Very high | 96.2 | Very high | 85 Ų | 85 | 57.5 Ų | 57.5 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -110.4 | -54.3 | 163.9 | -176.2 | 61.4 | 0 | 0 | 0 | 109.3 | V47 T53 K55 | V47-N49 PolarHBondContact O-N 2.67Å; N49-T53 PolarHBondContact ND2-OG1 3.39Å; N49-K55 HydrophobicContact CB-CB 4.03Å |
| 50 | D | 94.7 | Very high | 96.7 | Very high | 51 Ų | 51 | 57.9 Ų | 57.9 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -151.8 | -177.8 | 168.6 | 55.8 | 50.8 | 0 | 0 | 0 | 108.5 | F48 F52 T53 | F48-D50 VanDerWaalsContact CZ-CA 3.46Å; D50-F52 PolarHBondContact O-N 2.82Å; D50-F52 VanDerWaalsContact O-N 3.11Å; D50-F52 WeakPolarHBondContact OD1-CA 3.27Å; D50-F52 PolarHBondContact OD1-N 2.83Å; D50-T53 PolarHBondContact N-O 2.9Å; D50-T53 PolarHBondContact OD1-N 2.68Å; D50-T53 PolarHBondContact OD1-OG1 3.22Å; D50-T53 PolarHBondContact OD2-OG1 3.33Å |
| 51 | D | 94.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -70.4 | -1.7 | -178.1 | -114.1 | 12.8 | 0 | 0 | 0 | 115.4 | T216 G221 F222 Y230 R232 | D51-T216 HydrophobicContact CB-CG2 3.78Å; D51-T216 WeakPolarHBondContact OD2-CG2 3.36Å; D51-G221 WeakPolarHBondContact OD2-CA 3.38Å; D51-F222 WeakPolarHBondContact CB-O 3.25Å; D51-F222 VanDerWaalsContact CG-N 3.32Å; D51-F222 VanDerWaalsContact OD2-CD2 3.3Å; D51-F222 WeakPolarHBondContact OD2-CD2 3.4Å; D51-F222 PolarHBondContact OD2-N 3.44Å; D51-Y230 WeakPolarHBondContact OD1-CE1 3.21Å; D51-Y230 PolarHBondContact OD1-OH 3.11Å; D51-R232 VanDerWaalsContact O-CZ 3.23Å; D51-R232 PolarHBondContact O-NE 3.31Å; D51-R232 PolarHBondContact O-NH2 3.2Å |
| 52 | F | 94.6 | Very high | 96.8 | Very high | 88 Ų | 88 | 56.2 Ų | 56.2 | 39% | 0.386 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -121.8 | -16.5 | -177.1 | -58 | -77 | 0 | 0 | 0 | 113.5 | D50 T216 K220 | D50-F52 PolarHBondContact O-N 2.82Å; D50-F52 VanDerWaalsContact O-N 3.11Å; D50-F52 WeakPolarHBondContact OD1-CA 3.27Å; D50-F52 PolarHBondContact OD1-N 2.83Å; F52-T216 HydrophobicContact CE1-CG2 4.27Å; F52-T216 HydrophobicContact CZ-CG2 4.32Å; F52-K220 VanDerWaalsContact CE2-O 3.31Å; F52-K220 WeakPolarHBondContact CE2-O 3.08Å |
| 53 | T | 95.6 | Very high | 96.6 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | trans | -138.2 | 154.7 | -175.6 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | N49 D50 | N49-T53 PolarHBondContact ND2-OG1 3.39Å; D50-T53 PolarHBondContact N-O 2.9Å; D50-T53 PolarHBondContact OD1-N 2.68Å; D50-T53 PolarHBondContact OD1-OG1 3.22Å; D50-T53 PolarHBondContact OD2-OG1 3.33Å | ||
| 54 | V | 97 | Very high | 96.4 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.6 | 174.5 | -61.1 | 0 | 0 | 0 | 0 | 110.5 | F46 V47 N233 L236 K237 | F46-V54 HydrophobicContact CD2-CB 4.48Å; V47-V54 WeakPolarHBondContact O-CA 3.44Å; V54-N233 HydrophobicContact CG1-CB 3.96Å; V54-N233 WeakPolarHBondContact CG1-O 3.29Å; V54-L236 HydrophobicContact CG1-CB 3.99Å; V54-L236 HydrophobicContact CG1-CD1 4.5Å; V54-K237 HydrophobicContact CG2-CB 4.08Å; V54-K237 HydrophobicContact CG2-CD 3.82Å; V54-K237 HydrophobicContact CG2-CG 4.3Å |
| 55 | K | 97.6 | Very high | 96.2 | Very high | 118 Ų | 118 | 63.5 Ų | 63.5 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 115 | 171.6 | -178.5 | 179.3 | 179.5 | -178 | 0 | 108.5 | F46 V47 N49 L57 | F46-K55 CarbonylContact C-O 3.26Å; F46-K55 VanDerWaalsContact CA-O 3.29Å; F46-K55 WeakPolarHBondContact CA-O 3.35Å; V47-K55 HydrophobicContact CG2-CB 3.95Å; V47-K55 HydrophobicContact CG2-CD 4.47Å; V47-K55 HydrophobicContact CG2-CG 4.47Å; V47-K55 PolarHBondContact N-O 2.96Å; V47-K55 PolarHBondContact O-N 3.36Å; N49-K55 HydrophobicContact CB-CB 4.03Å; K55-L57 HydrophobicContact CD-CD2 4.46Å; K55-L57 HydrophobicContact CG-CD2 4.33Å |
| 56 | T | 97.7 | Very high | 96.1 | Very high | 51 Ų | 51 | 65.5 Ų | 65.5 | 31% | 0.313 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 136.5 | 174.7 | -56.2 | 0 | 0 | 0 | 0 | 109.8 | Q44 | Q44-T56 HydrophobicContact CG-CG2 3.46Å; Q44-T56 VanDerWaalsContact CG-CG2 3.46Å |
| 57 | L | 97.9 | Very high | 96 | Very high | 46 Ų | 46 | 69.7 Ų | 69.7 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | trans | -98.9 | 176.1 | 179.5 | -53.8 | -172.3 | 0 | 0 | 0 | 111.5 | Q44 P45 V47 K55 T70 | Q44-L57 WeakPolarHBondContact CG-O 3.48Å; P45-L57 HydrophobicContact CB-CB 4.26Å; P45-L57 HydrophobicContact CB-CD1 4.19Å; P45-L57 HydrophobicContact CB-CG 4.48Å; P45-L57 HydrophobicContact CG-CB 4.32Å; P45-L57 PolarHBondContact O-N 3.1Å; V47-L57 HydrophobicContact CG1-CD1 4.29Å; V47-L57 HydrophobicContact CG2-CD2 4.38Å; K55-L57 HydrophobicContact CD-CD2 4.46Å; K55-L57 HydrophobicContact CG-CD2 4.33Å; L57-T70 HydrophobicContact CD1-CG2 3.9Å | ||
| 58 | D | 97.5 | Very high | 96 | Very high | 148 Ų | 148 | 68 Ų | 68 | 79% | 0.791 | 35% | 0.352 | S | S | * | . | trans | -63.5 | 147.1 | -179.6 | -66.8 | -32.9 | 0 | 0 | 0 | 112.1 | P45 | P45-D58 VanDerWaalsContact CD-O 3.27Å; P45-D58 WeakPolarHBondContact CD-O 3.28Å | ||
| 59 | R | 97.3 | Very high | 95.9 | Very high | 104 Ų | 104 | 73.7 Ų | 73.7 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | trans | -76.3 | 145.7 | 177.3 | -66.9 | 178.7 | 173.4 | -113.6 | -9.6 | 110.6 | E42 L43 Q44 | E42-R59 WeakPolarHBondContact OE2-CD 3.14Å; E42-R59 IonicContact OE2-CZ 3.93Å; E42-R59 IonicContact OE2-NE 2.91Å; E42-R59 IonicContact OE2-NH1 3.05Å; E42-R59 PolarHBondContact OE2-NH1 3Å; L43-R59 WeakPolarHBondContact O-CA 3.5Å; Q44-R59 HydrophobicContact CB-CG 4.06Å; Q44-R59 HydrophobicContact CG-CG 3.94Å | ||
| 60 | S | 96.4 | Very high | 95.9 | Very high | 49 Ų | 49 | 70.4 Ų | 70.4 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.8 | 172.1 | 60.5 | 0 | 0 | 0 | 0 | 110.8 | E42 L43 A62 | E42-S60 WeakPolarHBondContact CA-O 3.42Å; L43-S60 PolarHBondContact N-O 2.81Å; L43-S60 PolarHBondContact O-N 2.94Å; S60-A62 PolarHBondContact O-N 2.87Å |
| 61 | E | 96.4 | Very high | 96.1 | Very high | 125 Ų | 125 | 68.6 Ų | 68.6 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 126.1 | 170.6 | -170.7 | -173.5 | 171.7 | 0 | 0 | 110.3 | K63 | E61-K63 HydrophobicContact CG-CG 4.37Å; E61-K63 PolarHBondContact O-N 2.63Å; E61-K63 WeakPolarHBondContact OE1-CE 3.49Å; E61-K63 IonicContact OE1-NZ 3.93Å; E61-K63 WeakPolarHBondContact OE2-CE 3.43Å; E61-K63 IonicContact OE2-NZ 2.81Å; E61-K63 PolarHBondContact OE2-NZ 3.24Å |
| 62 | A | 95 | Very high | 96.3 | Very high | 12 Ų | 12 | 68.8 Ų | 68.8 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | trans | -80.5 | 115.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F19 L26 C41 L43 S60 I75 | F19-A62 HydrophobicContact CZ-CB 4.38Å; L26-A62 HydrophobicContact CD2-CB 3.96Å; C41-A62 HydrophobicContact CB-CB 3.67Å; C41-A62 PolarHBondContact O-N 2.66Å; L43-A62 HydrophobicContact CB-CB 3.89Å; S60-A62 PolarHBondContact O-N 2.87Å; A62-I75 HydrophobicContact CB-CD1 4.46Å | ||
| 63 | K | 92.7 | Very high | 96.4 | Very high | 110 Ų | 110 | 64.6 Ų | 64.6 | 48% | 0.478 | 34% | 0.335 | S | S | . | . | trans | -117.4 | 141.6 | -178.5 | -65.3 | -179.7 | -177.4 | 175.9 | 0 | 110.9 | E61 M66 | E61-K63 HydrophobicContact CG-CG 4.37Å; E61-K63 PolarHBondContact O-N 2.63Å; E61-K63 WeakPolarHBondContact OE1-CE 3.49Å; E61-K63 IonicContact OE1-NZ 3.93Å; E61-K63 WeakPolarHBondContact OE2-CE 3.43Å; E61-K63 IonicContact OE2-NZ 2.81Å; E61-K63 PolarHBondContact OE2-NZ 3.24Å; K63-M66 HydrophobicContact CB-CB 4.34Å; K63-M66 WeakPolarHBondContact O-CB 3.27Å; K63-M66 WeakPolarHBondContact O-CG 3.48Å; K63-M66 PolarHBondContact O-N 3.22Å | ||
| 64 | D | 93.8 | Very high | 96.5 | Very high | 81 Ų | 81 | 62.8 Ų | 62.8 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 141.2 | 173.7 | -172.8 | 33.6 | 0 | 0 | 0 | 111.1 | I27 L28 M66 | I27-D64 WeakPolarHBondContact CA-OD1 3.19Å; L28-D64 HydrophobicContact CB-CB 3.76Å; L28-D64 HydrophobicContact CD2-CB 4.47Å; L28-D64 PolarHBondContact N-OD1 2.98Å; D64-M66 PolarHBondContact O-N 2.78Å; D64-M66 VanDerWaalsContact O-N 3.1Å |
| 65 | N | 94.3 | Very high | 96.5 | Very high | 99 Ų | 99 | 61.8 Ų | 61.8 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 16 | -178.5 | -161.5 | 31.4 | 0 | 0 | 0 | 115.1 | K25 L26 | K25-N65 WeakPolarHBondContact CD-OD1 3.46Å; L26-N65 WeakPolarHBondContact O-CA 3.49Å; L26-N65 PolarHBondContact O-N 3.41Å |
| 66 | M | 95.8 | Very high | 96.5 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 23% | 0.232 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 144.1 | 174.6 | 76.2 | 178.5 | -74.9 | 0 | 0 | 111.2 | K25 L26 L43 K63 D64 | K25-M66 WeakPolarHBondContact CA-O 3.39Å; L26-M66 HydrophobicContact CB-CG 3.75Å; L26-M66 HydrophobicContact CD2-CG 4.08Å; L26-M66 HydrophobicContact CD2-SD 4.03Å; L26-M66 PolarHBondContact N-O 3.16Å; L43-M66 HydrophobicContact CD1-SD 4.27Å; K63-M66 HydrophobicContact CB-CB 4.34Å; K63-M66 WeakPolarHBondContact O-CB 3.27Å; K63-M66 WeakPolarHBondContact O-CG 3.48Å; K63-M66 PolarHBondContact O-N 3.22Å; D64-M66 PolarHBondContact O-N 2.78Å; D64-M66 VanDerWaalsContact O-N 3.1Å |
| 67 | S | 96.9 | Very high | 96.4 | Very high | 89 Ų | 89 | 57.1 Ų | 57.1 | 62% | 0.622 | 29% | 0.292 | S | S | * | . | B | Isolated β-bridge | trans | -76.8 | 136.6 | 171.7 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 68 | L | 97.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 144.7 | -177.9 | -64.9 | 164.5 | 0 | 0 | 0 | 110.3 | A21 G24 L26 L43 F73 T91 V93 | A21-L68 HydrophobicContact CB-CD1 3.89Å; G24-L68 WeakPolarHBondContact O-CB 3.25Å; G24-L68 PolarHBondContact O-N 2.9Å; L26-L68 HydrophobicContact CB-CD2 4.32Å; L43-L68 HydrophobicContact CD1-CD2 3.56Å; L43-L68 HydrophobicContact CD2-CD2 4.48Å; L68-F73 HydrophobicContact CD1-CD1 4.01Å; L68-F73 HydrophobicContact CD1-CE1 3.34Å; L68-F73 HydrophobicContact CD1-CZ 3.88Å; L68-F73 HydrophobicContact CD2-CD1 3.9Å; L68-F73 HydrophobicContact CD2-CE1 3.89Å; L68-F73 HydrophobicContact CD2-CG 4.32Å; L68-F73 HydrophobicContact CD2-CZ 4.24Å; L68-F73 HydrophobicContact CG-CE1 4.23Å; L68-T91 HydrophobicContact CD1-CG2 3.56Å; L68-V93 HydrophobicContact CB-CG2 4.13Å |
| 69 | Q | 94.1 | Very high | 95.7 | Very high | 149 Ų | 149 | 50.4 Ų | 50.4 | 70% | 0.696 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -85 | -24.3 | -179.6 | -63.1 | 178.7 | -2.9 | 0 | 0 | 112.5 | ||
| 70 | T | 97.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -141.5 | 158.7 | -170.3 | 63.5 | 0 | 0 | 0 | 0 | 109.6 | P45 V47 L57 F72 V93 | P45-T70 HydrophobicContact CB-CG2 4.13Å; P45-T70 WeakPolarHBondContact CB-OG1 3.22Å; V47-T70 HydrophobicContact CG1-CG2 3.26Å; L57-T70 HydrophobicContact CD1-CG2 3.9Å; T70-F72 PolarHBondContact O-N 3.37Å; T70-F72 PolarHBondContact OG1-O 3.18Å; T70-V93 VanDerWaalsContact C-CG2 3.49Å; T70-V93 WeakPolarHBondContact O-CG2 3.33Å |
| 71 | D | 98.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.064 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -62.9 | -25.8 | 176.5 | -68.4 | -9.8 | 0 | 0 | 0 | 112.4 | A90 T91 V93 H229 Y262 | D71-A90 CarbonylContact O-C 3.6Å; D71-A90 VanDerWaalsContact O-CA 3.31Å; D71-A90 WeakPolarHBondContact O-CA 3.5Å; D71-T91 WeakPolarHBondContact CA-O 3.36Å; D71-T91 WeakPolarHBondContact CB-O 3.45Å; D71-T91 PolarHBondContact O-N 3.02Å; D71-V93 PolarHBondContact OD1-N 3.28Å; D71-H229 IonicContact OD1-CE1 2.87Å; D71-H229 IonicContact OD1-ND1 2.63Å; D71-H229 IonicContact OD2-CE1 2.66Å; D71-H229 IonicContact OD2-CG 3.24Å; D71-H229 IonicContact OD2-ND1 3.27Å; D71-H229 PolarHBondContact OD2-ND1 2.86Å; D71-Y262 HydrophobicContact CB-CE2 4.36Å; D71-Y262 PolarHBondContact OD2-OH 2.75Å |
| 72 | F | 98.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.6 | -169.7 | -42 | -54.9 | 0 | 0 | 0 | 113.1 | F46 T70 A90 Y230 L231 N233 F234 Y262 | F46-F72 HydrophobicContact CD1-CB 4.45Å; F46-F72 HydrophobicContact CD2-CB 3.86Å; F46-F72 HydrophobicContact CE1-CB 3.99Å; F46-F72 HydrophobicContact CE2-CB 3.31Å; F46-F72 HydrophobicContact CE2-CD2 4.22Å; F46-F72 HydrophobicContact CE2-CG 4.02Å; F46-F72 HydrophobicContact CG-CB 4.4Å; F46-F72 HydrophobicContact CZ-CB 3.4Å; F46-F72 HydrophobicContact CZ-CG 4.4Å; F46-F72 PolarHBondContact N-O 3.33Å; F46-F72 VanDerWaalsContact N-O 3.09Å; T70-F72 PolarHBondContact O-N 3.37Å; T70-F72 PolarHBondContact OG1-O 3.18Å; F72-A90 HydrophobicContact CD1-CB 3.82Å; F72-A90 HydrophobicContact CE1-CB 4.04Å; F72-Y230 WeakPolarHBondContact CE2-O 3.31Å; F72-Y230 WeakPolarHBondContact CZ-O 3.38Å; F72-L231 HydrophobicContact CD1-CD1 4.46Å; F72-L231 HydrophobicContact CE1-CD1 3.6Å; F72-L231 HydrophobicContact CZ-CD1 4.14Å; F72-N233 HydrophobicContact CD2-CB 4.08Å; F72-N233 HydrophobicContact CE2-CB 3.97Å; F72-F234 HydrophobicContact CB-CD2 4.31Å; F72-F234 HydrophobicContact CD1-CB 3.81Å; F72-F234 AromaticContact CD1-CD2 3.95Å; F72-F234 HydrophobicContact CD1-CD2 3.95Å; F72-F234 HydrophobicContact CD1-CG 4.25Å; F72-F234 HydrophobicContact CE1-CB 4Å; F72-F234 HydrophobicContact CG-CB 4.13Å; F72-F234 HydrophobicContact CG-CD2 4.36Å; F72-F234 HydrophobicContact CZ-CB 4.46Å; F72-Y262 HydrophobicContact CE1-CD2 4.44Å; F72-Y262 AromaticContact CE1-CE2 3.59Å; F72-Y262 HydrophobicContact CE1-CE2 3.59Å; F72-Y262 AromaticContact CE1-CZ 3.74Å; F72-Y262 HydrophobicContact CZ-CE2 4.21Å; F72-Y262 AromaticContact CZ-CZ 3.89Å; F72-Y262 WeakPolarHBondContact CZ-OH 3.41Å |
| 73 | F | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 154 | 177.9 | 57.9 | -84.2 | 0 | 0 | 0 | 111.6 | A21 L26 L43 Q44 L68 I75 H89 T91 | A21-F73 HydrophobicContact CB-CE1 3.85Å; A21-F73 HydrophobicContact CB-CZ 3.61Å; L26-F73 HydrophobicContact CD1-CE2 3.68Å; L26-F73 HydrophobicContact CD1-CZ 3.76Å; L43-F73 HydrophobicContact CD1-CB 4.34Å; L43-F73 HydrophobicContact CD1-CD2 3.43Å; L43-F73 VanDerWaalsContact CD1-CD2 3.43Å; L43-F73 HydrophobicContact CD1-CE2 3.81Å; L43-F73 HydrophobicContact CD1-CG 3.88Å; L43-F73 HydrophobicContact CD2-CB 3.86Å; L43-F73 HydrophobicContact CD2-CD2 4.43Å; L43-F73 HydrophobicContact CD2-CG 4.27Å; L43-F73 HydrophobicContact CG-CB 3.97Å; L43-F73 HydrophobicContact CG-CD2 3.7Å; L43-F73 HydrophobicContact CG-CG 4.03Å; Q44-F73 WeakPolarHBondContact O-CA 3.35Å; L68-F73 HydrophobicContact CD1-CD1 4.01Å; L68-F73 HydrophobicContact CD1-CE1 3.34Å; L68-F73 HydrophobicContact CD1-CZ 3.88Å; L68-F73 HydrophobicContact CD2-CD1 3.9Å; L68-F73 HydrophobicContact CD2-CE1 3.89Å; L68-F73 HydrophobicContact CD2-CG 4.32Å; L68-F73 HydrophobicContact CD2-CZ 4.24Å; L68-F73 HydrophobicContact CG-CE1 4.23Å; F73-I75 HydrophobicContact CD2-CD1 4.06Å; F73-I75 HydrophobicContact CD2-CG1 3.74Å; F73-I75 HydrophobicContact CE2-CD1 3.6Å; F73-I75 HydrophobicContact CE2-CG1 3.79Å; F73-H89 HydrophobicContact CD2-CB 4.2Å; F73-H89 HydrophobicContact CE1-CB 3.83Å; F73-H89 HydrophobicContact CE2-CB 3.5Å; F73-H89 VanDerWaalsContact CE2-CB 3.5Å; F73-H89 AromaticContact CE2-CD2 3.7Å; F73-H89 AromaticContact CE2-CG 3.83Å; F73-H89 HydrophobicContact CZ-CB 3.29Å; F73-H89 AromaticContact CZ-CG 3.97Å; F73-H89 PolarHBondContact N-O 2.62Å; F73-H89 PolarHBondContact O-N 2.91Å; F73-T91 HydrophobicContact CE1-CG2 4.32Å |
| 74 | K | 97.7 | Very high | 93.7 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 10% | 0.104 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.8 | 171.1 | -179.3 | -176.6 | -172 | 166.2 | 0 | 108.8 | L43 Q44 Q76 N87 Y88 D241 | L43-K74 CarbonylContact C-O 3.6Å; L43-K74 WeakPolarHBondContact CA-O 3.45Å; Q44-K74 PolarHBondContact N-O 2.89Å; Q44-K74 PolarHBondContact O-N 2.89Å; K74-Q76 HydrophobicContact CD-CG 4.43Å; K74-Q76 HydrophobicContact CG-CG 4.35Å; K74-N87 WeakPolarHBondContact CA-O 3.31Å; K74-Y88 HydrophobicContact CB-CD1 3.96Å; K74-Y88 HydrophobicContact CB-CE1 3.98Å; K74-Y88 HydrophobicContact CD-CD1 4.47Å; K74-Y88 HydrophobicContact CD-CE1 3.69Å; K74-Y88 VanDerWaalsContact CE-OH 3.32Å; K74-Y88 WeakPolarHBondContact CE-OH 3.29Å; K74-Y88 HydrophobicContact CG-CD1 4.05Å; K74-Y88 HydrophobicContact CG-CE1 3.72Å; K74-Y88 PolarHBondContact NZ-OH 2.78Å; K74-D241 IonicContact NZ-OD2 3.67Å; K74-D241 PolarHBondContact NZ-OD2 3.49Å |
| 75 | I | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137 | 169.8 | -67.2 | -174.2 | 0 | 0 | 0 | 109.4 | F19 L26 E42 L43 A62 F73 C77 Y85 T86 N87 | F19-I75 HydrophobicContact CB-CD1 3.91Å; F19-I75 HydrophobicContact CD1-CD1 4.06Å; F19-I75 HydrophobicContact CD2-CD1 3.9Å; F19-I75 HydrophobicContact CD2-CG2 3.99Å; F19-I75 HydrophobicContact CE2-CD1 4.42Å; F19-I75 HydrophobicContact CE2-CG2 4.08Å; F19-I75 HydrophobicContact CG-CD1 3.68Å; L26-I75 HydrophobicContact CD1-CD1 3.53Å; L26-I75 HydrophobicContact CD2-CD1 3.97Å; L26-I75 HydrophobicContact CG-CD1 4.39Å; E42-I75 WeakPolarHBondContact O-CA 3.36Å; L43-I75 HydrophobicContact CB-CG1 4.35Å; L43-I75 HydrophobicContact CD1-CD1 4.26Å; L43-I75 HydrophobicContact CD1-CG1 4.29Å; L43-I75 HydrophobicContact CG-CG1 4.3Å; A62-I75 HydrophobicContact CB-CD1 4.46Å; F73-I75 HydrophobicContact CD2-CD1 4.06Å; F73-I75 HydrophobicContact CD2-CG1 3.74Å; F73-I75 HydrophobicContact CE2-CD1 3.6Å; F73-I75 HydrophobicContact CE2-CG1 3.79Å; I75-C77 VanDerWaalsContact CG2-SG 3.52Å; I75-Y85 HydrophobicContact CB-CE1 4.4Å; I75-Y85 HydrophobicContact CG2-CD1 4.09Å; I75-Y85 HydrophobicContact CG2-CE1 4.13Å; I75-T86 VanDerWaalsContact O-CA 3.3Å; I75-T86 WeakPolarHBondContact O-CA 3.4Å; I75-N87 PolarHBondContact N-O 3.33Å; I75-N87 PolarHBondContact O-N 3.08Å; I75-N87 VanDerWaalsContact O-N 3.08Å |
| 76 | Q | 96.8 | Very high | 93.7 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 29% | 0.29 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.9 | 169.2 | -58.2 | -175.7 | -90.3 | 0 | 0 | 108.7 | C41 E42 K74 Y85 T86 | C41-Q76 CarbonylContact C-O 3.51Å; C41-Q76 WeakPolarHBondContact CA-O 3.23Å; E42-Q76 PolarHBondContact N-O 3.39Å; E42-Q76 PolarHBondContact O-N 3.07Å; K74-Q76 HydrophobicContact CD-CG 4.43Å; K74-Q76 HydrophobicContact CG-CG 4.35Å; Q76-Y85 CarbonylContact C-O 3.52Å; Q76-Y85 VanDerWaalsContact CA-O 3.32Å; Q76-Y85 WeakPolarHBondContact CA-O 3.36Å; Q76-T86 HydrophobicContact CG-CG2 4.1Å |
| 77 | C | 95.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.054 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150.7 | 176.7 | -53 | 0 | 0 | 0 | 0 | 112.1 | W18 Q40 C41 I75 N84 Y85 | W18-C77 HydrophobicContact CE3-CB 3.81Å; W18-C77 HydrophobicContact CZ3-CB 3.54Å; Q40-C77 CarbonylContact O-C 3.59Å; Q40-C77 WeakPolarHBondContact O-CA 3.39Å; Q40-C77 WeakPolarHBondContact O-CB 3.43Å; C41-C77 HydrophobicContact CB-CB 4.06Å; C41-C77 WeakPolarHBondContact CB-SG 3.36Å; C41-C77 WeakPolarHBondContact SG-CB 3.36Å; C41-C77 CovalentContact SG-SG 2.04Å; C41-C77 PolarHBondContact SG-SG 3.03Å; I75-C77 VanDerWaalsContact CG2-SG 3.52Å; C77-N84 WeakPolarHBondContact O-CA 3.46Å; C77-Y85 PolarHBondContact N-O 2.85Å; C77-Y85 PolarHBondContact O-N 3.44Å |
| 78 | A | 92.3 | Very high | 93.7 | Very high | 45 Ų | 45 | 42.9 Ų | 42.9 | 37% | 0.372 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q40 | Q40-A78 PolarHBondContact N-O 2.98Å; Q40-A78 PolarHBondContact O-N 2.85Å |
| 79 | A | 88.7 | Confident | 93.7 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 152.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | W18 P34 A37 I39 D81 G82 K83 | W18-A79 HydrophobicContact CH2-CB 3.83Å; W18-A79 HydrophobicContact CZ3-CB 4.4Å; P34-A79 HydrophobicContact CG-CB 4.33Å; A37-A79 HydrophobicContact CB-CB 4.24Å; I39-A79 HydrophobicContact CG2-CB 3.99Å; A79-D81 WeakPolarHBondContact CB-OD1 3.19Å; A79-D81 PolarHBondContact O-N 3.01Å; A79-D81 VanDerWaalsContact O-N 3.16Å; A79-G82 PolarHBondContact O-N 2.75Å; A79-K83 HydrophobicContact CB-CB 4.3Å; A79-K83 WeakPolarHBondContact CB-O 3.2Å; A79-K83 PolarHBondContact N-O 3.09Å |
| 80 | A | 85.4 | Confident | 93.9 | Very high | 85 Ų | 85 | 36.2 Ų | 36.2 | 70% | 0.702 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S38 G82 | S38-A80 PolarHBondContact O-N 3.23Å; A80-G82 PolarHBondContact O-N 2.85Å |
| 81 | D | 85.2 | Confident | 93.9 | Very high | 88 Ų | 88 | 35.5 Ų | 35.5 | 47% | 0.471 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 1.3 | 175.6 | 70 | -10.7 | 0 | 0 | 0 | 113.5 | A79 K83 | A79-D81 WeakPolarHBondContact CB-OD1 3.19Å; A79-D81 PolarHBondContact O-N 3.01Å; A79-D81 VanDerWaalsContact O-N 3.16Å; D81-K83 WeakPolarHBondContact OD1-CB 3.38Å; D81-K83 WeakPolarHBondContact OD1-CG 3.48Å; D81-K83 PolarHBondContact OD1-N 3.2Å; D81-K83 WeakPolarHBondContact OD2-CD 3.35Å |
| 82 | G | 85.9 | Confident | 93.9 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 61% | 0.608 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 88.3 | -0.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A79 A80 | A79-G82 PolarHBondContact O-N 2.75Å; A80-G82 PolarHBondContact O-N 2.85Å |
| 83 | K | 88.8 | Confident | 93.9 | Very high | 91 Ų | 91 | 36 Ų | 36 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | trans | -72.3 | 139.7 | 173.1 | -66.7 | -175 | -176.9 | -164.6 | 0 | 110.9 | E15 W18 P34 A79 D81 | E15-K83 IonicContact OE1-NZ 3.99Å; W18-K83 HydrophobicContact CH2-CB 4.4Å; W18-K83 HydrophobicContact CZ2-CB 4.34Å; P34-K83 HydrophobicContact CG-CD 4.05Å; A79-K83 HydrophobicContact CB-CB 4.3Å; A79-K83 WeakPolarHBondContact CB-O 3.2Å; A79-K83 PolarHBondContact N-O 3.09Å; D81-K83 WeakPolarHBondContact OD1-CB 3.38Å; D81-K83 WeakPolarHBondContact OD1-CG 3.48Å; D81-K83 PolarHBondContact OD1-N 3.2Å; D81-K83 WeakPolarHBondContact OD2-CD 3.35Å | ||
| 84 | N | 91.2 | Very high | 93.6 | Very high | 124 Ų | 124 | 39.3 Ų | 39.3 | 66% | 0.663 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.8 | 176.2 | -66.4 | -32.2 | 0 | 0 | 0 | 110.3 | C77 | C77-N84 WeakPolarHBondContact O-CA 3.46Å |
| 85 | Y | 92.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.5 | 172.7 | 175.9 | -103.3 | 0 | 0 | 0 | 108.9 | N17 W18 F19 I75 Q76 C77 N87 H89 | N17-Y85 HydrophobicContact CB-CE2 4.45Å; W18-Y85 HydrophobicContact CB-CD1 4.12Å; W18-Y85 HydrophobicContact CB-CD2 4.16Å; W18-Y85 HydrophobicContact CB-CE1 4.13Å; W18-Y85 HydrophobicContact CB-CE2 4.19Å; W18-Y85 HydrophobicContact CB-CG 4.11Å; W18-Y85 VanDerWaalsContact CD2-CB 3.5Å; W18-Y85 HydrophobicContact CD2-CD1 4.37Å; W18-Y85 HydrophobicContact CD2-CD2 4.03Å; W18-Y85 AromaticContact CD2-CG 3.73Å; W18-Y85 HydrophobicContact CD2-CG 3.73Å; W18-Y85 HydrophobicContact CE3-CD1 4.31Å; W18-Y85 AromaticContact CE3-CG 3.91Å; W18-Y85 HydrophobicContact CE3-CG 3.91Å; W18-Y85 HydrophobicContact CG-CD1 4.33Å; W18-Y85 AromaticContact CG-CD2 3.79Å; W18-Y85 HydrophobicContact CG-CD2 3.79Å; W18-Y85 HydrophobicContact CG-CE2 4.23Å; W18-Y85 AromaticContact CG-CG 3.84Å; W18-Y85 HydrophobicContact CG-CG 3.84Å; F19-Y85 HydrophobicContact CD2-CD1 4.43Å; F19-Y85 HydrophobicContact CD2-CE1 4.03Å; I75-Y85 HydrophobicContact CB-CE1 4.4Å; I75-Y85 HydrophobicContact CG2-CD1 4.09Å; I75-Y85 HydrophobicContact CG2-CE1 4.13Å; Q76-Y85 CarbonylContact C-O 3.52Å; Q76-Y85 VanDerWaalsContact CA-O 3.32Å; Q76-Y85 WeakPolarHBondContact CA-O 3.36Å; C77-Y85 PolarHBondContact N-O 2.85Å; C77-Y85 PolarHBondContact O-N 3.44Å; Y85-N87 HydrophobicContact CE1-CB 3.94Å; Y85-N87 HydrophobicContact CE2-CB 4.01Å; Y85-N87 VanDerWaalsContact CZ-CB 3.5Å; Y85-N87 WeakPolarHBondContact OH-CB 3.46Å; Y85-N87 PolarHBondContact OH-ND2 2.58Å; Y85-H89 PolarHBondContact OH-CE1 2.84Å; Y85-H89 PolarHBondContact OH-NE2 2.83Å; Y85-H89 VanDerWaalsContact OH-NE2 3.17Å |
| 86 | T | 94.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 51.9 Ų | 51.9 | 45% | 0.454 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 120.6 | 170 | -67.2 | 0 | 0 | 0 | 0 | 108.4 | I75 Q76 | I75-T86 VanDerWaalsContact O-CA 3.3Å; I75-T86 WeakPolarHBondContact O-CA 3.4Å; Q76-T86 HydrophobicContact CG-CG2 4.1Å |
| 87 | N | 96.1 | Very high | 91 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 166.4 | 177 | -152.6 | -0.1 | 0 | 0 | 0 | 111.8 | N17 K74 I75 Y85 L250 | N17-N87 VanDerWaalsContact CG-ND2 3.3Å; N17-N87 PolarHBondContact ND2-ND2 2.82Å; N17-N87 PolarHBondContact OD1-ND2 3.42Å; K74-N87 WeakPolarHBondContact CA-O 3.31Å; I75-N87 PolarHBondContact N-O 3.33Å; I75-N87 PolarHBondContact O-N 3.08Å; I75-N87 VanDerWaalsContact O-N 3.08Å; Y85-N87 HydrophobicContact CE1-CB 3.94Å; Y85-N87 HydrophobicContact CE2-CB 4.01Å; Y85-N87 VanDerWaalsContact CZ-CB 3.5Å; Y85-N87 WeakPolarHBondContact OH-CB 3.46Å; Y85-N87 PolarHBondContact OH-ND2 2.58Å; N87-L250 PolarHBondContact ND2-O 3.32Å; N87-L250 VanDerWaalsContact ND2-O 3.11Å |
| 88 | Y | 96.9 | Very high | 89.5 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.4 | 178.1 | -54.8 | -97.1 | 0 | 0 | 0 | 107.9 | F46 K74 K237 V238 D241 T242 L250 | F46-Y88 HydrophobicContact CE1-CD1 4.48Å; K74-Y88 HydrophobicContact CB-CD1 3.96Å; K74-Y88 HydrophobicContact CB-CE1 3.98Å; K74-Y88 HydrophobicContact CD-CD1 4.47Å; K74-Y88 HydrophobicContact CD-CE1 3.69Å; K74-Y88 VanDerWaalsContact CE-OH 3.32Å; K74-Y88 WeakPolarHBondContact CE-OH 3.29Å; K74-Y88 HydrophobicContact CG-CD1 4.05Å; K74-Y88 HydrophobicContact CG-CE1 3.72Å; K74-Y88 PolarHBondContact NZ-OH 2.78Å; Y88-K237 HydrophobicContact CD1-CG 4.44Å; Y88-K237 HydrophobicContact CE1-CG 4.24Å; Y88-V238 HydrophobicContact CD1-CG2 4.05Å; Y88-V238 HydrophobicContact CD2-CG2 3.85Å; Y88-V238 HydrophobicContact CE2-CG2 4.49Å; Y88-V238 HydrophobicContact CG-CG2 3.63Å; Y88-D241 HydrophobicContact CE1-CB 4.3Å; Y88-D241 WeakPolarHBondContact OH-CB 3.44Å; Y88-D241 PolarHBondContact OH-OD2 3.09Å; Y88-D241 VanDerWaalsContact OH-OD2 3.1Å; Y88-T242 HydrophobicContact CE2-CG2 4.16Å; Y88-L250 HydrophobicContact CD2-CD2 4.16Å |
| 89 | H | 97.3 | Very high | 88.3 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.7 | -177.9 | -60.1 | -84.9 | 0 | 0 | 0 | 110.8 | F19 F73 Y85 F234 | F19-H89 PolarHBondContact O-CE1 3.37Å; F73-H89 HydrophobicContact CD2-CB 4.2Å; F73-H89 HydrophobicContact CE1-CB 3.83Å; F73-H89 HydrophobicContact CE2-CB 3.5Å; F73-H89 VanDerWaalsContact CE2-CB 3.5Å; F73-H89 AromaticContact CE2-CD2 3.7Å; F73-H89 AromaticContact CE2-CG 3.83Å; F73-H89 HydrophobicContact CZ-CB 3.29Å; F73-H89 AromaticContact CZ-CG 3.97Å; F73-H89 PolarHBondContact N-O 2.62Å; F73-H89 PolarHBondContact O-N 2.91Å; Y85-H89 PolarHBondContact OH-CE1 2.84Å; Y85-H89 PolarHBondContact OH-NE2 2.83Å; Y85-H89 VanDerWaalsContact OH-NE2 3.17Å; H89-F234 VanDerWaalsContact C-CE2 3.45Å; H89-F234 WeakPolarHBondContact O-CE2 3.44Å |
| 90 | A | 97.6 | Very high | 87.1 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | D71 F72 L231 F234 Y262 | D71-A90 CarbonylContact O-C 3.6Å; D71-A90 VanDerWaalsContact O-CA 3.31Å; D71-A90 WeakPolarHBondContact O-CA 3.5Å; F72-A90 HydrophobicContact CD1-CB 3.82Å; F72-A90 HydrophobicContact CE1-CB 4.04Å; A90-L231 HydrophobicContact CB-CD1 4.13Å; A90-F234 HydrophobicContact CB-CD2 4.01Å; A90-F234 HydrophobicContact CB-CE2 4.11Å; A90-F234 HydrophobicContact CB-CG 4.37Å; A90-Y262 HydrophobicContact CB-CD2 3.82Å; A90-Y262 HydrophobicContact CB-CE2 4.24Å |
| 91 | T | 97.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -149.8 | 177.2 | 174.5 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | A21 R22 N23 G24 L68 D71 F73 Y262 D265 | A21-T91 HydrophobicContact CB-CG2 4.07Å; R22-T91 WeakPolarHBondContact CA-OG1 3.13Å; N23-T91 PolarHBondContact N-OG1 3.19Å; G24-T91 PolarHBondContact N-OG1 3.4Å; G24-T91 VanDerWaalsContact N-OG1 3.16Å; L68-T91 HydrophobicContact CD1-CG2 3.56Å; D71-T91 WeakPolarHBondContact CA-O 3.36Å; D71-T91 WeakPolarHBondContact CB-O 3.45Å; D71-T91 PolarHBondContact O-N 3.02Å; F73-T91 HydrophobicContact CE1-CG2 4.32Å; T91-Y262 WeakPolarHBondContact O-CE2 3.45Å; T91-D265 WeakPolarHBondContact CA-OD2 3.41Å; T91-D265 WeakPolarHBondContact CB-OD2 3.39Å; T91-D265 PolarHBondContact OG1-OD2 3.45Å | ||
| 92 | I | 98.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -109 | 115.1 | 174.9 | -62.5 | -70.6 | 0 | 0 | 0 | 109.4 | N23 G24 P94 L204 H229 Y262 D265 F266 T269 Y270 | N23-I92 CarbonylContact C-O 3.44Å; G24-I92 WeakPolarHBondContact CA-O 3.21Å; G24-I92 PolarHBondContact N-O 3.36Å; I92-P94 WeakPolarHBondContact O-CD 3.31Å; I92-L204 HydrophobicContact CD1-CD1 4.12Å; I92-H229 HydrophobicContact CD1-CB 4.04Å; I92-Y262 HydrophobicContact CD1-CD2 4.02Å; I92-Y262 HydrophobicContact CD1-CE1 4.1Å; I92-Y262 HydrophobicContact CD1-CE2 3.44Å; I92-Y262 VanDerWaalsContact CD1-CE2 3.44Å; I92-Y262 VanDerWaalsContact CD1-CZ 3.49Å; I92-Y262 HydrophobicContact CG1-CD2 4.44Å; I92-Y262 HydrophobicContact CG1-CE2 4.21Å; I92-D265 HydrophobicContact CG1-CB 4.11Å; I92-D265 PolarHBondContact N-OD2 3.01Å; I92-F266 HydrophobicContact CD1-CB 3.98Å; I92-F266 HydrophobicContact CD1-CD2 4.26Å; I92-F266 HydrophobicContact CG1-CB 3.84Å; I92-F266 HydrophobicContact CG2-CD2 4.25Å; I92-T269 HydrophobicContact CB-CG2 4.29Å; I92-T269 HydrophobicContact CG2-CG2 3.69Å; I92-Y270 HydrophobicContact CG2-CD2 4.31Å; I92-Y270 HydrophobicContact CG2-CE2 3.84Å | ||
| 93 | V | 97.3 | Very high | 86.8 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | trans | -91.4 | 109 | 165.9 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | L68 T70 D71 K95 H229 | L68-V93 HydrophobicContact CB-CG2 4.13Å; T70-V93 VanDerWaalsContact C-CG2 3.49Å; T70-V93 WeakPolarHBondContact O-CG2 3.33Å; D71-V93 PolarHBondContact OD1-N 3.28Å; V93-K95 PolarHBondContact O-N 2.86Å; V93-H229 PolarHBondContact O-CE1 2.88Å | ||
| 94 | P | 92.7 | Very high | 86.9 | Confident | 69 Ų | 69 | 73.4 Ų | 73.4 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 134.3 | -174.6 | 12.4 | -16.6 | 0 | 0 | 0 | 111.3 | I92 T269 Y270 | I92-P94 WeakPolarHBondContact O-CD 3.31Å; P94-T269 HydrophobicContact CB-CG2 3.76Å; P94-T269 HydrophobicContact CG-CG2 3.52Å; P94-Y270 HydrophobicContact CB-CE1 4.18Å |
| 95 | K | 91.3 | Very high | 87 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -100.9 | 147.4 | 176.5 | -60 | -172.8 | 178.5 | -176.3 | 0 | 109.2 | V93 S97 D228 Y270 | V93-K95 PolarHBondContact O-N 2.86Å; K95-S97 PolarHBondContact O-N 3.27Å; K95-S97 VanDerWaalsContact O-N 3.12Å; K95-D228 HydrophobicContact CD-CB 4.24Å; K95-D228 WeakPolarHBondContact CE-O 3.45Å; K95-D228 PolarHBondContact NZ-O 3.07Å; K95-Y270 PolarHBondContact N-OH 2.9Å |
| 96 | E | 79.9 | Confident | 87 | Confident | 201 Ų | 201 | 72.4 Ų | 72.4 | 94% | 0.939 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 118.3 | 173.7 | -72.4 | -175.1 | 173.8 | 0 | 0 | 109.9 | ||
| 97 | S | 66 | Low | 86.9 | Confident | 45 Ų | 45 | 71 Ų | 71 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 137.8 | 172.9 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | K95 N99 Q274 | K95-S97 PolarHBondContact O-N 3.27Å; K95-S97 VanDerWaalsContact O-N 3.12Å; S97-N99 PolarHBondContact O-N 2.73Å; S97-N99 PolarHBondContact OG-ND2 2.85Å; S97-N99 VanDerWaalsContact OG-ND2 3.13Å; S97-N99 PolarHBondContact OG-OD1 2.94Å; S97-Q274 VanDerWaalsContact CB-OE1 3.24Å; S97-Q274 PolarHBondContact OG-OE1 2.94Å |
| 98 | M | 64.2 | Low | 86.7 | Confident | 129 Ų | 129 | 71.8 Ų | 71.8 | 64% | 0.635 | 38% | 0.376 | S | S | * | . | trans | -75.6 | 51.1 | 178.1 | -66.4 | -172.9 | -76.9 | 0 | 0 | 112 | E100 R101 | M98-E100 VanDerWaalsContact C-N 3.29Å; M98-E100 PolarHBondContact O-N 2.75Å; M98-R101 PolarHBondContact O-N 3.17Å | ||
| 99 | N | 65.3 | Low | 86.3 | Confident | 76 Ų | 76 | 79.9 Ų | 79.9 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -64 | -31.8 | -172.6 | -77 | -11.6 | 0 | 0 | 0 | 113 | S97 R101 A102 G200 Q274 | S97-N99 PolarHBondContact O-N 2.73Å; S97-N99 PolarHBondContact OG-ND2 2.85Å; S97-N99 VanDerWaalsContact OG-ND2 3.13Å; S97-N99 PolarHBondContact OG-OD1 2.94Å; N99-R101 PolarHBondContact O-N 2.83Å; N99-R101 VanDerWaalsContact O-N 3.09Å; N99-A102 WeakPolarHBondContact O-CB 3.33Å; N99-A102 PolarHBondContact O-N 3.29Å; N99-A102 VanDerWaalsContact O-N 3.14Å; N99-G200 PolarHBondContact OD1-O 3.41Å; N99-Q274 PolarHBondContact ND2-OE1 3Å; N99-Q274 PolarHBondContact OD1-OE1 3Å |
| 100 | E | 64.9 | Low | 85.9 | Confident | 201 Ų | 201 | 83.9 Ų | 83.9 | 94% | 0.939 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -62.9 | -19 | -178.8 | -64.8 | -174.1 | 171 | 0 | 0 | 114.1 | M98 | M98-E100 VanDerWaalsContact C-N 3.29Å; M98-E100 PolarHBondContact O-N 2.75Å |
| 101 | R | 73.6 | Confident | 85.8 | Confident | 220 Ų | 220 | 84.7 Ų | 84.7 | 83% | 0.83 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -115.4 | 15.6 | 179.2 | -60.6 | -176.5 | -175.5 | 175 | 2.1 | 113 | M98 N99 | M98-R101 PolarHBondContact O-N 3.17Å; N99-R101 PolarHBondContact O-N 2.83Å; N99-R101 VanDerWaalsContact O-N 3.09Å |
| 102 | A | 86.7 | Confident | 85.8 | Confident | 38 Ų | 38 | 84.9 Ų | 84.9 | 31% | 0.314 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 133.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N99 | N99-A102 WeakPolarHBondContact O-CB 3.33Å; N99-A102 PolarHBondContact O-N 3.29Å; N99-A102 VanDerWaalsContact O-N 3.14Å |
| 103 | N | 89.8 | Confident | 85.8 | Confident | 80 Ų | 80 | 85.1 Ų | 85.1 | 43% | 0.428 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 140 | 170.7 | -69.3 | -20.8 | 0 | 0 | 0 | 110.3 | R198 F199 | N103-R198 PolarHBondContact N-O 3.37Å; N103-F199 HydrophobicContact CB-CD1 3.74Å; N103-F199 HydrophobicContact CB-CE1 3.71Å; N103-F199 HydrophobicContact CB-CE2 4.46Å; N103-F199 HydrophobicContact CB-CG 4.16Å; N103-F199 HydrophobicContact CB-CZ 4.09Å; N103-F199 VanDerWaalsContact O-CD1 3.27Å; N103-F199 WeakPolarHBondContact O-CD1 3.33Å |
| 104 | P | 90.4 | Very high | 85.9 | Confident | 110 Ų | 110 | 83.7 Ų | 83.7 | 71% | 0.714 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 142.8 | 174.4 | 30.3 | -34.3 | 0 | 0 | 0 | 110.7 | F199 | P104-F199 WeakPolarHBondContact O-CE1 3.44Š|
| 105 | V | 93.7 | Very high | 86.2 | Confident | 19 Ų | 19 | 80.4 Ų | 80.4 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 151.2 | 166.3 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | F108 P111 F199 L386 | V105-F108 HydrophobicContact CG2-CB 4.35Å; V105-P111 HydrophobicContact CB-CG 4.45Å; V105-P111 HydrophobicContact CG1-CB 3.79Å; V105-P111 HydrophobicContact CG1-CG 3.74Å; V105-P111 HydrophobicContact CG2-CB 4.2Å; V105-P111 HydrophobicContact CG2-CG 3.87Å; V105-F199 HydrophobicContact CG1-CD1 3.75Å; V105-F199 HydrophobicContact CG1-CE1 4.31Å; V105-L386 WeakPolarHBondContact CA-O 3.01Å; V105-L386 HydrophobicContact CG1-CD2 4.14Å |
| 106 | I | 93.4 | Very high | 86.5 | Confident | 101 Ų | 101 | 76.4 Ų | 76.4 | 52% | 0.518 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -108 | 133.5 | 177.7 | -59.4 | 170.8 | 0 | 0 | 0 | 109.2 | L386 N387 F388 | I106-L386 PolarHBondContact N-O 2.99Å; I106-N387 HydrophobicContact CB-CB 4.41Å; I106-N387 WeakPolarHBondContact CB-OD1 3.37Å; I106-N387 WeakPolarHBondContact CG2-OD1 3Å; I106-F388 PolarHBondContact O-N 3.01Å |
| 107 | G | 91.9 | Very high | 87.4 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 45% | 0.454 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 97.5 | -8.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F358 | G107-F358 WeakPolarHBondContact O-CZ 3.5Š|
| 108 | F | 92 | Very high | 89 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -131.6 | 151 | 174.4 | -53.4 | -79 | 0 | 0 | 0 | 110.6 | V105 R110 L112 W353 F354 F358 L385 F388 | V105-F108 HydrophobicContact CG2-CB 4.35Å; F108-R110 WeakPolarHBondContact CB-O 3.14Å; F108-R110 PolarHBondContact O-N 2.95Å; F108-L112 HydrophobicContact CD1-CD1 4.32Å; F108-L112 HydrophobicContact CE1-CD1 3.89Å; F108-L112 HydrophobicContact CZ-CD1 4.07Å; F108-W353 HydrophobicContact CD1-CH2 4.17Å; F108-W353 HydrophobicContact CE1-CH2 4.26Å; F108-F354 AromaticContact CE1-CE2 3.66Å; F108-F354 HydrophobicContact CE1-CE2 3.66Å; F108-F354 HydrophobicContact CE1-CZ 4.09Å; F108-F354 AromaticContact CZ-CE2 3.95Å; F108-F354 HydrophobicContact CZ-CE2 3.95Å; F108-F354 HydrophobicContact CZ-CZ 4.07Å; F108-F358 AromaticContact CD1-CE2 3.88Å; F108-F358 HydrophobicContact CD1-CE2 3.88Å; F108-F358 HydrophobicContact CD1-CZ 4.11Å; F108-F358 HydrophobicContact CE1-CD2 4.26Å; F108-F358 AromaticContact CE1-CE2 3.42Å; F108-F358 HydrophobicContact CE1-CE2 3.42Å; F108-F358 VanDerWaalsContact CE1-CE2 3.42Å; F108-F358 AromaticContact CE1-CZ 3.88Å; F108-F358 HydrophobicContact CE1-CZ 3.88Å; F108-F358 HydrophobicContact CZ-CE2 4.38Å; F108-L385 HydrophobicContact CE2-CD2 4.29Å; F108-L385 WeakPolarHBondContact CE2-O 3.4Å; F108-L385 HydrophobicContact CZ-CD2 4.15Å; F108-F388 HydrophobicContact CD2-CB 4.32Å; F108-F388 HydrophobicContact CE2-CB 3.63Å; F108-F388 AromaticContact CE2-CD2 3.71Å; F108-F388 HydrophobicContact CE2-CD2 3.71Å; F108-F388 AromaticContact CE2-CG 3.82Å; F108-F388 HydrophobicContact CE2-CG 3.82Å; F108-F388 HydrophobicContact CZ-CB 4Å; F108-F388 HydrophobicContact CZ-CD1 4.34Å; F108-F388 AromaticContact CZ-CD2 3.41Å; F108-F388 HydrophobicContact CZ-CD2 3.41Å; F108-F388 VanDerWaalsContact CZ-CD2 3.41Å; F108-F388 AromaticContact CZ-CE2 3.87Å; F108-F388 HydrophobicContact CZ-CE2 3.87Å; F108-F388 AromaticContact CZ-CG 3.67Å; F108-F388 HydrophobicContact CZ-CG 3.67Å |
| 109 | N | 88.4 | Confident | 90.5 | Very high | 184 Ų | 184 | 58.6 Ų | 58.6 | 98% | 0.984 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -67.3 | -26.9 | 173.8 | -68.4 | -14 | 0 | 0 | 0 | 112.4 | ||
| 110 | R | 90.1 | Very high | 91.9 | Very high | 95 Ų | 95 | 55.2 Ų | 55.2 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -148 | 155.9 | 174.3 | 64.5 | 175.2 | 176.8 | -168.7 | -5.2 | 110.2 | F108 D315 | F108-R110 WeakPolarHBondContact CB-O 3.14Å; F108-R110 PolarHBondContact O-N 2.95Å; R110-D315 IonicContact CZ-OD1 3.42Å; R110-D315 IonicContact CZ-OD2 3.69Å; R110-D315 IonicContact NE-OD1 3.52Å; R110-D315 IonicContact NH2-OD1 2.81Å; R110-D315 PolarHBondContact NH2-OD1 2.83Å; R110-D315 IonicContact NH2-OD2 2.67Å; R110-D315 PolarHBondContact NH2-OD2 2.79Å |
| 111 | P | 94.6 | Very high | 93.2 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 142.4 | 175.3 | -12.9 | 26.3 | 0 | 0 | 0 | 111.1 | V105 Y201 P275 | V105-P111 HydrophobicContact CB-CG 4.45Å; V105-P111 HydrophobicContact CG1-CB 3.79Å; V105-P111 HydrophobicContact CG1-CG 3.74Å; V105-P111 HydrophobicContact CG2-CB 4.2Å; V105-P111 HydrophobicContact CG2-CG 3.87Å; P111-Y201 HydrophobicContact CB-CE2 3.66Å; P111-Y201 VanDerWaalsContact CB-OH 3.25Å; P111-Y201 WeakPolarHBondContact CB-OH 3.13Å; P111-Y201 HydrophobicContact CG-CE2 4.42Å; P111-P275 HydrophobicContact CB-CB 3.87Å; P111-P275 HydrophobicContact CB-CG 4.26Å; P111-P275 HydrophobicContact CG-CB 4.28Å; P111-P275 HydrophobicContact CG-CG 4.15Å |
| 112 | L | 97.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -83 | 144.4 | 173.5 | -61.4 | 177.8 | 0 | 0 | 0 | 110.5 | F108 Y201 V317 P351 W353 F354 L385 | F108-L112 HydrophobicContact CD1-CD1 4.32Å; F108-L112 HydrophobicContact CE1-CD1 3.89Å; F108-L112 HydrophobicContact CZ-CD1 4.07Å; L112-Y201 WeakPolarHBondContact O-CE1 3.42Å; L112-Y201 VanDerWaalsContact O-CZ 3.3Å; L112-Y201 PolarHBondContact O-OH 2.76Å; L112-V317 HydrophobicContact CD1-CG2 4Å; L112-P351 HydrophobicContact CD1-CG 4.44Å; L112-W353 HydrophobicContact CD1-CH2 4.22Å; L112-W353 HydrophobicContact CD1-CZ2 4.47Å; L112-W353 HydrophobicContact CD2-CH2 3.91Å; L112-W353 HydrophobicContact CD2-CZ2 3.56Å; L112-F354 HydrophobicContact CD1-CD2 4.15Å; L112-F354 HydrophobicContact CD1-CE2 3.64Å; L112-L385 HydrophobicContact CD1-CD2 4.37Å |
| 113 | N | 98.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 149.2 | 165.9 | -52.8 | -46.8 | 0 | 0 | 0 | 109.6 | F267 K276 D315 T316 V317 | N113-F267 HydrophobicContact CB-CE1 3.87Å; N113-F267 HydrophobicContact CB-CZ 4.25Å; N113-K276 CarbonylContact C-O 3.59Å; N113-K276 WeakPolarHBondContact CA-O 3.29Å; N113-K276 HydrophobicContact CB-CB 4.24Å; N113-K276 WeakPolarHBondContact OD1-CB 3.35Å; N113-K276 PolarHBondContact OD1-N 3.5Å; N113-D315 WeakPolarHBondContact CB-O 3.46Å; N113-D315 PolarHBondContact N-O 3.26Å; N113-D315 PolarHBondContact ND2-O 2.8Å; N113-T316 HydrophobicContact CB-CG2 4.01Å; N113-T316 WeakPolarHBondContact CB-OG1 3.21Å; N113-T316 PolarHBondContact ND2-OG1 3.23Å; N113-T316 WeakPolarHBondContact O-CA 3.26Å; N113-V317 PolarHBondContact O-N 2.83Å |
| 114 | I | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.7 | 177.2 | -65.1 | 150.1 | 0 | 0 | 0 | 106.5 | F116 L196 Y201 K276 F277 A278 V382 L385 | I114-F116 HydrophobicContact CG2-CD2 3.85Å; I114-F116 HydrophobicContact CG2-CE2 3.55Å; I114-L196 HydrophobicContact CD1-CD1 4.28Å; I114-L196 HydrophobicContact CD1-CD2 3.71Å; I114-Y201 HydrophobicContact CD1-CE1 3.96Å; I114-K276 PolarHBondContact N-O 3.15Å; I114-F277 HydrophobicContact CB-CD2 3.9Å; I114-F277 HydrophobicContact CG2-CD2 3.73Å; I114-F277 HydrophobicContact CG2-CE2 3.92Å; I114-F277 CarbonylContact O-C 3.54Å; I114-F277 WeakPolarHBondContact O-CA 3.49Å; I114-A278 PolarHBondContact O-N 3.09Å; I114-V382 HydrophobicContact CD1-CG1 3.88Å; I114-V382 HydrophobicContact CG2-CG1 4.48Å; I114-V382 HydrophobicContact CG2-CG2 4.2Å; I114-L385 HydrophobicContact CD1-CD1 3.99Å; I114-L385 HydrophobicContact CG1-CD1 3.65Å |
| 115 | Y | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 117 | 179.8 | -179.5 | -158.6 | 0 | 0 | 0 | 109.9 | L117 V263 F267 A278 Q280 H303 F307 V317 L318 I319 | Y115-L117 HydrophobicContact CE1-CB 4.48Å; Y115-L117 HydrophobicContact CE2-CB 4.13Å; Y115-V263 HydrophobicContact CD2-CG1 4.25Å; Y115-V263 HydrophobicContact CE1-CG1 4.13Å; Y115-V263 HydrophobicContact CE2-CG1 3.75Å; Y115-V263 HydrophobicContact CE2-CG2 4.44Å; Y115-F267 HydrophobicContact CG-CE2 4.4Å; Y115-F267 HydrophobicContact CG-CZ 4.45Å; Y115-A278 WeakPolarHBondContact CA-O 3.29Å; Y115-A278 HydrophobicContact CD2-CB 3.68Å; Y115-A278 HydrophobicContact CE2-CB 4.27Å; Y115-A278 HydrophobicContact CG-CB 4.37Å; Y115-Q280 HydrophobicContact CE2-CB 4.12Å; Y115-Q280 PolarHBondContact OH-OE1 2.81Å; Y115-H303 AromaticContact CE1-NE2 3.48Å; Y115-H303 WeakPolarHBondContact CE1-NE2 3.42Å; Y115-H303 AromaticContact CZ-NE2 3.53Å; Y115-H303 PolarHBondContact OH-NE2 3.1Å; Y115-F307 HydrophobicContact CD1-CD1 4.42Å; Y115-F307 AromaticContact CD1-CE1 3.79Å; Y115-F307 HydrophobicContact CD1-CE1 3.79Å; Y115-F307 HydrophobicContact CD1-CE2 4.46Å; Y115-F307 AromaticContact CD1-CZ 3.83Å; Y115-F307 HydrophobicContact CD1-CZ 3.83Å; Y115-F307 HydrophobicContact CE1-CE1 4.07Å; Y115-F307 AromaticContact CE1-CE2 3.91Å; Y115-F307 HydrophobicContact CE1-CE2 3.91Å; Y115-F307 AromaticContact CE1-CZ 3.67Å; Y115-F307 HydrophobicContact CE1-CZ 3.67Å; Y115-V317 PolarHBondContact N-O 2.97Å; Y115-L318 HydrophobicContact CD1-CD1 3.53Å; Y115-L318 HydrophobicContact CE1-CD1 4.01Å; Y115-L318 HydrophobicContact CG-CD1 3.88Å; Y115-L318 CarbonylContact O-C 3.55Å; Y115-L318 WeakPolarHBondContact O-CA 3.3Å; Y115-L318 WeakPolarHBondContact O-CD1 3.48Å; Y115-I319 PolarHBondContact O-N 2.82Å |
| 116 | F | 98.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.1 | 169 | -76.1 | -96.4 | 0 | 0 | 0 | 109.2 | I114 I164 F277 A278 F279 Q280 I319 F321 V382 | I114-F116 HydrophobicContact CG2-CD2 3.85Å; I114-F116 HydrophobicContact CG2-CE2 3.55Å; F116-I164 HydrophobicContact CD1-CG2 4.43Å; F116-I164 HydrophobicContact CE1-CG2 3.78Å; F116-I164 HydrophobicContact CZ-CG2 3.98Å; F116-F277 HydrophobicContact CD2-CE2 4.07Å; F116-F277 HydrophobicContact CE2-CE2 4.12Å; F116-A278 PolarHBondContact N-O 3.17Å; F116-F279 HydrophobicContact CB-CD2 3.47Å; F116-F279 VanDerWaalsContact CB-CD2 3.47Å; F116-F279 HydrophobicContact CB-CE2 3.75Å; F116-F279 HydrophobicContact CB-CG 4.22Å; F116-F279 HydrophobicContact CD1-CD2 4.3Å; F116-F279 AromaticContact CD1-CE2 3.94Å; F116-F279 HydrophobicContact CD1-CE2 3.94Å; F116-F279 AromaticContact CD2-CD2 3.84Å; F116-F279 HydrophobicContact CD2-CD2 3.84Å; F116-F279 HydrophobicContact CD2-CE2 4.26Å; F116-F279 AromaticContact CG-CD2 3.63Å; F116-F279 HydrophobicContact CG-CD2 3.63Å; F116-F279 AromaticContact CG-CE2 3.74Å; F116-F279 HydrophobicContact CG-CE2 3.74Å; F116-Q280 PolarHBondContact O-N 3.21Å; F116-I319 WeakPolarHBondContact CA-O 3.16Å; F116-I319 HydrophobicContact CD1-CB 3.84Å; F116-I319 HydrophobicContact CD1-CD1 4.22Å; F116-I319 HydrophobicContact CD1-CG2 3.76Å; F116-I319 HydrophobicContact CE1-CB 3.93Å; F116-I319 HydrophobicContact CE1-CD1 3.51Å; F116-I319 HydrophobicContact CE1-CG1 4.33Å; F116-I319 HydrophobicContact CE1-CG2 3.75Å; F116-I319 HydrophobicContact CE2-CD1 3.98Å; F116-I319 HydrophobicContact CG-CB 4.37Å; F116-I319 HydrophobicContact CZ-CD1 3.37Å; F116-F321 HydrophobicContact CB-CD1 4.22Å; F116-F321 HydrophobicContact CB-CE1 3.8Å; F116-F321 AromaticContact CD1-CD1 3.93Å; F116-F321 HydrophobicContact CD1-CD1 3.93Å; F116-F321 HydrophobicContact CD1-CE1 4.02Å; F116-F321 HydrophobicContact CG-CE1 4.41Å; F116-V382 HydrophobicContact CE2-CG2 3.62Å; F116-V382 HydrophobicContact CZ-CG2 3.52Å |
| 117 | L | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 104.2 | 172.3 | 173.1 | 57.6 | 0 | 0 | 0 | 108.7 | Y115 F119 L260 T300 L304 L318 I319 V320 F321 | Y115-L117 HydrophobicContact CE1-CB 4.48Å; Y115-L117 HydrophobicContact CE2-CB 4.13Å; L117-F119 HydrophobicContact CG-CE2 4.06Å; L117-F119 HydrophobicContact CG-CZ 4.45Å; L117-L260 HydrophobicContact CD1-CD2 3.99Å; L117-T300 HydrophobicContact CD2-CG2 4.1Å; L117-L304 HydrophobicContact CD2-CD2 4.45Å; L117-L318 HydrophobicContact CB-CD1 4.22Å; L117-I319 PolarHBondContact N-O 3.08Å; L117-V320 HydrophobicContact CB-CG2 4.48Å; L117-V320 HydrophobicContact CD2-CG2 4.41Å; L117-V320 HydrophobicContact CG-CG1 4.49Å; L117-V320 CarbonylContact O-C 3.52Å; L117-V320 WeakPolarHBondContact O-CA 3.17Å; L117-F321 PolarHBondContact O-N 2.82Å |
| 118 | G | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 151.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q280 I281 H282 F321 | G118-Q280 VanDerWaalsContact CA-O 3.31Å; G118-Q280 WeakPolarHBondContact CA-O 3.41Å; G118-Q280 PolarHBondContact N-O 3.39Å; G118-I281 WeakPolarHBondContact O-CA 3.22Å; G118-H282 PolarHBondContact O-CD2 3.34Å; G118-H282 PolarHBondContact O-N 2.04Å; G118-F321 CarbonylContact C-O 3.46Å; G118-F321 VanDerWaalsContact CA-O 3.22Å; G118-F321 WeakPolarHBondContact CA-O 3.44Å |
| 119 | F | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 128.2 | 173.9 | -57.9 | -102.7 | 0 | 0 | 0 | 111.2 | L117 V122 F127 L131 Y256 H282 V293 A296 T300 V320 F321 S322 D323 | L117-F119 HydrophobicContact CG-CE2 4.06Å; L117-F119 HydrophobicContact CG-CZ 4.45Å; F119-V122 HydrophobicContact CB-CB 4.44Å; F119-V122 HydrophobicContact CB-CG2 3.73Å; F119-F127 HydrophobicContact CD2-CE2 4.08Å; F119-F127 HydrophobicContact CE2-CE2 4Å; F119-F127 HydrophobicContact CZ-CE2 4.47Å; F119-L131 HydrophobicContact CD1-CD2 4.25Å; F119-L131 HydrophobicContact CE1-CD2 3.66Å; F119-L131 HydrophobicContact CZ-CD2 4.01Å; F119-Y256 HydrophobicContact CE1-CE2 4.33Å; F119-Y256 WeakPolarHBondContact CE1-OH 3.41Å; F119-Y256 WeakPolarHBondContact CZ-OH 3.43Å; F119-H282 WeakPolarHBondContact CA-O 3.49Å; F119-V293 HydrophobicContact CD1-CG2 4.48Å; F119-A296 HydrophobicContact CE1-CB 4.16Å; F119-T300 HydrophobicContact CZ-CG2 4.01Å; F119-V320 HydrophobicContact CE2-CG1 3.89Å; F119-F321 PolarHBondContact N-O 3.46Å; F119-S322 WeakPolarHBondContact O-CA 3.5Å; F119-S322 WeakPolarHBondContact O-CB 3.43Å; F119-S322 PolarHBondContact O-OG 2.85Å; F119-D323 PolarHBondContact O-N 2.94Å |
| 120 | D | 93.6 | Very high | 96 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 120 | 173.1 | 169.8 | -1.2 | 0 | 0 | 0 | 110.2 | T157 I281 H282 V283 S286 H287 D323 | D120-T157 PolarHBondContact OD2-OG1 3.49Å; D120-I281 HydrophobicContact CB-CD1 4.24Å; D120-I281 HydrophobicContact CB-CG1 4.45Å; D120-H282 PolarHBondContact N-O 3.01Å; D120-V283 HydrophobicContact CB-CB 4.43Å; D120-V283 HydrophobicContact CB-CG1 4.46Å; D120-V283 HydrophobicContact CB-CG2 4.06Å; D120-S286 VanDerWaalsContact C-OG 3.28Å; D120-S286 CarbonylContact O-C 3.59Å; D120-S286 VanDerWaalsContact O-C 3.26Å; D120-S286 WeakPolarHBondContact O-CB 3.14Å; D120-S286 PolarHBondContact O-OG 3.49Å; D120-H287 PolarHBondContact O-N 2.88Å; D120-H287 VanDerWaalsContact O-N 3.1Å; D120-H287 IonicContact OD1-CD2 2.75Å; D120-H287 IonicContact OD2-CD2 2.87Å; D120-H287 PolarHBondContact OD2-CD2 3.4Å; D120-D323 WeakPolarHBondContact CA-OD1 3.39Å |
| 121 | S | 92.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 15.5 Ų | 15.5 | 8% | 0.084 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -129 | 97.4 | -3.6 | 5.1 | 0 | 0 | 0 | 0 | 111.3 | H324 G325 S326 | S121-H324 CarbonylContact C-O 3.55Å; S121-H324 WeakPolarHBondContact CA-O 3.49Å; S121-H324 WeakPolarHBondContact CB-CE1 3.14Å; S121-H324 WeakPolarHBondContact CB-ND1 3.23Å; S121-H324 WeakPolarHBondContact CB-O 3.06Å; S121-H324 PolarHBondContact OG-CE1 2.85Å; S121-G325 CarbonylContact O-C 3.3Å; S121-S326 PolarHBondContact O-N 2.89Å |
| 122 | V | 95.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.024 | 9% | 0.09 | C | C | . | . | trans | -108.2 | 115.4 | -169 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | F119 F127 L131 V293 S322 H324 P344 F345 | F119-V122 HydrophobicContact CB-CB 4.44Å; F119-V122 HydrophobicContact CB-CG2 3.73Å; V122-F127 HydrophobicContact CG1-CB 3.8Å; V122-F127 HydrophobicContact CG1-CD2 4.1Å; V122-F127 HydrophobicContact CG1-CG 4.43Å; V122-L131 HydrophobicContact CG1-CD1 4.16Å; V122-V293 HydrophobicContact CG2-CG2 3.82Å; V122-S322 WeakPolarHBondContact O-CB 3.49Å; V122-S322 PolarHBondContact O-OG 2.97Å; V122-H324 PolarHBondContact N-O 2.83Å; V122-P344 WeakPolarHBondContact O-CA 3.46Å; V122-F345 PolarHBondContact O-N 3.27Å | ||
| 123 | S | 95.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -64.7 | 156.8 | 170.5 | 74.2 | 0 | 0 | 0 | 0 | 111 | M125 S126 F127 E340 | S123-M125 PolarHBondContact O-N 3.29Å; S123-S126 PolarHBondContact O-N 2.72Å; S123-S126 VanDerWaalsContact O-N 3.11Å; S123-S126 VanDerWaalsContact OG-CB 3.25Å; S123-S126 WeakPolarHBondContact OG-CB 3.46Å; S123-S126 PolarHBondContact OG-N 3.2Å; S123-S126 PolarHBondContact OG-OG 2.85Å; S123-F127 WeakPolarHBondContact O-CB 3.28Å; S123-F127 PolarHBondContact O-N 3.44Å; S123-E340 WeakPolarHBondContact CB-O 3.35Å; S123-E340 PolarHBondContact OG-OE2 3.07Å |
| 124 | R | 95.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 24.6 Ų | 24.6 | 20% | 0.204 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -52 | -44.8 | 172.4 | 171.7 | 174.3 | 155 | -113.7 | 4.1 | 111.7 | F127 M128 E148 N343 F345 | R124-F127 WeakPolarHBondContact O-CB 3.3Å; R124-F127 PolarHBondContact O-N 2.96Å; R124-M128 HydrophobicContact CG-SD 4.08Å; R124-M128 VanDerWaalsContact O-CG 3.29Å; R124-M128 WeakPolarHBondContact O-CG 3.19Å; R124-M128 PolarHBondContact O-N 3.25Å; R124-E148 IonicContact CZ-OE2 2.78Å; R124-E148 IonicContact NH2-OE2 3.35Å; R124-E148 PolarHBondContact NH2-OE2 3.25Å; R124-N343 PolarHBondContact N-O 3.26Å; R124-F345 HydrophobicContact CG-CD2 4.41Å |
| 125 | M | 94.4 | Very high | 96.6 | Very high | 68 Ų | 68 | 26.9 Ų | 26.9 | 34% | 0.335 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -70.5 | -36.5 | -179.2 | -63.7 | -58.1 | -58.3 | 0 | 0 | 112.5 | S123 M128 R129 E340 | S123-M125 PolarHBondContact O-N 3.29Å; M125-M128 HydrophobicContact SD-SD 4.26Å; M125-R129 VanDerWaalsContact CB-NH1 3.35Å; M125-R129 WeakPolarHBondContact O-CB 3.43Å; M125-R129 VanDerWaalsContact O-CG 3.23Å; M125-R129 WeakPolarHBondContact O-CG 3.4Å; M125-R129 PolarHBondContact O-N 2.88Å; M125-R129 PolarHBondContact O-NE 3.19Å; M125-E340 HydrophobicContact CB-CG 4.15Å; M125-E340 HydrophobicContact CG-CG 4.31Å |
| 126 | S | 93.9 | Very high | 96.5 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 6% | 0.063 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 172.6 | -77.6 | 0 | 0 | 0 | 0 | 111.3 | S123 M128 R129 K130 | S123-S126 PolarHBondContact O-N 2.72Å; S123-S126 VanDerWaalsContact O-N 3.11Å; S123-S126 VanDerWaalsContact OG-CB 3.25Å; S123-S126 WeakPolarHBondContact OG-CB 3.46Å; S123-S126 PolarHBondContact OG-N 3.2Å; S123-S126 PolarHBondContact OG-OG 2.85Å; S126-M128 PolarHBondContact O-N 3.26Å; S126-R129 CarbonylContact O-C 3.52Å; S126-R129 PolarHBondContact O-N 3.32Å; S126-R129 VanDerWaalsContact O-N 3.08Å; S126-R129 PolarHBondContact OG-NH2 2.97Å; S126-K130 VanDerWaalsContact O-CB 3.27Å; S126-K130 WeakPolarHBondContact O-CB 3.4Å; S126-K130 WeakPolarHBondContact O-CG 3.45Å; S126-K130 PolarHBondContact O-N 3.15Å |
| 127 | F | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.7 | -50.4 | 176 | -163.1 | -77.2 | 0 | 0 | 0 | 110.4 | F119 V122 S123 R124 R129 K130 L131 T134 Y135 I138 V320 F345 | F119-F127 HydrophobicContact CD2-CE2 4.08Å; F119-F127 HydrophobicContact CE2-CE2 4Å; F119-F127 HydrophobicContact CZ-CE2 4.47Å; V122-F127 HydrophobicContact CG1-CB 3.8Å; V122-F127 HydrophobicContact CG1-CD2 4.1Å; V122-F127 HydrophobicContact CG1-CG 4.43Å; S123-F127 WeakPolarHBondContact O-CB 3.28Å; S123-F127 PolarHBondContact O-N 3.44Å; R124-F127 WeakPolarHBondContact O-CB 3.3Å; R124-F127 PolarHBondContact O-N 2.96Å; F127-R129 VanDerWaalsContact C-N 3.25Å; F127-R129 PolarHBondContact O-N 3.28Å; F127-K130 PolarHBondContact O-N 3.19Å; F127-L131 HydrophobicContact CB-CD1 4.44Å; F127-L131 HydrophobicContact CD1-CB 4.15Å; F127-L131 HydrophobicContact CD2-CD1 3.87Å; F127-L131 HydrophobicContact CD2-CD2 4.41Å; F127-L131 HydrophobicContact CE1-CB 4.02Å; F127-L131 HydrophobicContact CE2-CB 4.45Å; F127-L131 HydrophobicContact CE2-CD1 4.24Å; F127-L131 HydrophobicContact CE2-CD2 3.95Å; F127-L131 HydrophobicContact CE2-CG 4.47Å; F127-L131 HydrophobicContact CG-CB 4.43Å; F127-L131 HydrophobicContact CG-CD1 4.08Å; F127-L131 HydrophobicContact CZ-CB 4.17Å; F127-L131 HydrophobicContact CZ-CD2 4.17Å; F127-L131 CarbonylContact O-C 3.56Å; F127-L131 WeakPolarHBondContact O-CA 3.36Å; F127-L131 PolarHBondContact O-N 3.47Å; F127-T134 HydrophobicContact CE1-CG2 4.07Å; F127-T134 HydrophobicContact CZ-CG2 3.75Å; F127-Y135 HydrophobicContact CD1-CD2 4.14Å; F127-Y135 HydrophobicContact CE1-CD2 4.49Å; F127-I138 HydrophobicContact CE1-CD1 4.26Å; F127-I138 HydrophobicContact CZ-CD1 4.14Å; F127-V320 HydrophobicContact CE2-CG1 4.4Å; F127-V320 HydrophobicContact CZ-CG1 4.21Å; F127-F345 HydrophobicContact CB-CB 3.6Å; F127-F345 HydrophobicContact CB-CD2 4Å; F127-F345 HydrophobicContact CB-CG 3.78Å; F127-F345 HydrophobicContact CD1-CB 4.47Å; F127-F345 AromaticContact CD1-CD1 3.85Å; F127-F345 HydrophobicContact CD1-CD1 3.85Å; F127-F345 AromaticContact CD1-CD2 3.78Å; F127-F345 HydrophobicContact CD1-CD2 3.78Å; F127-F345 AromaticContact CD1-CE1 3.96Å; F127-F345 HydrophobicContact CD1-CE1 3.96Å; F127-F345 AromaticContact CD1-CE2 3.91Å; F127-F345 HydrophobicContact CD1-CE2 3.91Å; F127-F345 AromaticContact CD1-CG 3.75Å; F127-F345 HydrophobicContact CD1-CG 3.75Å; F127-F345 AromaticContact CD1-CZ 3.98Å; F127-F345 HydrophobicContact CD1-CZ 3.98Å; F127-F345 HydrophobicContact CD2-CB 3.69Å; F127-F345 AromaticContact CD2-CD1 3.5Å; F127-F345 HydrophobicContact CD2-CD1 3.5Å; F127-F345 VanDerWaalsContact CD2-CD1 3.5Å; F127-F345 HydrophobicContact CD2-CD2 4.44Å; F127-F345 HydrophobicContact CD2-CE1 4.24Å; F127-F345 AromaticContact CD2-CG 3.61Å; F127-F345 HydrophobicContact CD2-CG 3.61Å; F127-F345 AromaticContact CE1-CD1 3.85Å; F127-F345 HydrophobicContact CE1-CD1 3.85Å; F127-F345 HydrophobicContact CE1-CD2 4.38Å; F127-F345 AromaticContact CE1-CE1 3.59Å; F127-F345 HydrophobicContact CE1-CE1 3.59Å; F127-F345 HydrophobicContact CE1-CE2 4.18Å; F127-F345 HydrophobicContact CE1-CG 4.23Å; F127-F345 AromaticContact CE1-CZ 3.77Å; F127-F345 HydrophobicContact CE1-CZ 3.77Å; F127-F345 AromaticContact CE2-CD1 3.49Å; F127-F345 HydrophobicContact CE2-CD1 3.49Å; F127-F345 VanDerWaalsContact CE2-CD1 3.49Å; F127-F345 AromaticContact CE2-CE1 3.89Å; F127-F345 HydrophobicContact CE2-CE1 3.89Å; F127-F345 HydrophobicContact CE2-CG 4.1Å; F127-F345 HydrophobicContact CG-CB 3.68Å; F127-F345 AromaticContact CG-CD1 3.69Å; F127-F345 HydrophobicContact CG-CD1 3.69Å; F127-F345 AromaticContact CG-CD2 3.82Å; F127-F345 HydrophobicContact CG-CD2 3.82Å; F127-F345 HydrophobicContact CG-CE1 4.27Å; F127-F345 HydrophobicContact CG-CE2 4.4Å; F127-F345 AromaticContact CG-CG 3.42Å; F127-F345 HydrophobicContact CG-CG 3.42Å; F127-F345 VanDerWaalsContact CG-CG 3.42Å; F127-F345 AromaticContact CZ-CD1 3.67Å; F127-F345 HydrophobicContact CZ-CD1 3.67Å; F127-F345 AromaticContact CZ-CE1 3.56Å; F127-F345 HydrophobicContact CZ-CE1 3.56Å; F127-F345 HydrophobicContact CZ-CG 4.39Å; F127-F345 HydrophobicContact CZ-CZ 4.21Å |
| 128 | M | 96.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 29% | 0.291 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.4 | -30.1 | 175.8 | -68.2 | 172.6 | 71.4 | 0 | 0 | 113.6 | R124 M125 S126 K132 Y135 | R124-M128 HydrophobicContact CG-SD 4.08Å; R124-M128 VanDerWaalsContact O-CG 3.29Å; R124-M128 WeakPolarHBondContact O-CG 3.19Å; R124-M128 PolarHBondContact O-N 3.25Å; M125-M128 HydrophobicContact SD-SD 4.26Å; S126-M128 PolarHBondContact O-N 3.26Å; M128-K132 WeakPolarHBondContact O-CG 3.33Å; M128-Y135 HydrophobicContact CE-CE1 4.22Å; M128-Y135 HydrophobicContact CG-CD1 4.36Å; M128-Y135 HydrophobicContact CG-CD2 3.64Å; M128-Y135 HydrophobicContact CG-CE1 4.27Å; M128-Y135 HydrophobicContact CG-CE2 3.5Å; M128-Y135 VanDerWaalsContact CG-CE2 3.5Å; M128-Y135 HydrophobicContact CG-CG 4.08Å; M128-Y135 HydrophobicContact SD-CE2 4.12Å |
| 129 | R | 94.9 | Very high | 96.5 | Very high | 70 Ų | 70 | 34 Ų | 34 | 26% | 0.264 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -83.2 | -29.8 | 179.1 | -74.5 | -178.8 | -54.9 | -112.1 | 0.2 | 113.4 | M125 S126 F127 K132 E340 | M125-R129 VanDerWaalsContact CB-NH1 3.35Å; M125-R129 WeakPolarHBondContact O-CB 3.43Å; M125-R129 VanDerWaalsContact O-CG 3.23Å; M125-R129 WeakPolarHBondContact O-CG 3.4Å; M125-R129 PolarHBondContact O-N 2.88Å; M125-R129 PolarHBondContact O-NE 3.19Å; S126-R129 CarbonylContact O-C 3.52Å; S126-R129 PolarHBondContact O-N 3.32Å; S126-R129 VanDerWaalsContact O-N 3.08Å; S126-R129 PolarHBondContact OG-NH2 2.97Å; F127-R129 VanDerWaalsContact C-N 3.25Å; F127-R129 PolarHBondContact O-N 3.28Å; R129-K132 WeakPolarHBondContact O-CE 3.41Å; R129-E340 IonicContact CZ-OE1 3.76Å; R129-E340 IonicContact CZ-OE2 3.92Å; R129-E340 IonicContact NH1-OE1 2.84Å; R129-E340 PolarHBondContact NH1-OE1 2.86Å; R129-E340 IonicContact NH1-OE2 2.66Å; R129-E340 IonicContact NH2-OE1 3.48Å; R129-E340 PolarHBondContact NH2-OE1 2.85Å; R129-E340 IonicContact NH2-OE2 3.26Å; R129-E340 PolarHBondContact NH2-OE2 3.48Å |
| 130 | K | 95.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -118.2 | -28.7 | -165.4 | -65.2 | -58.8 | -166.1 | 157.1 | 0 | 114.8 | H5 S126 F127 D291 V293 E294 | H5-K130 PolarHBondContact O-NZ 2.97Å; S126-K130 VanDerWaalsContact O-CB 3.27Å; S126-K130 WeakPolarHBondContact O-CB 3.4Å; S126-K130 WeakPolarHBondContact O-CG 3.45Å; S126-K130 PolarHBondContact O-N 3.15Å; F127-K130 PolarHBondContact O-N 3.19Å; K130-D291 WeakPolarHBondContact CE-OD1 3.39Å; K130-D291 IonicContact NZ-OD1 2.74Å; K130-D291 PolarHBondContact NZ-OD1 2.86Å; K130-V293 HydrophobicContact CB-CG1 3.47Å; K130-V293 VanDerWaalsContact CB-CG1 3.47Å; K130-V293 HydrophobicContact CG-CG1 3.97Å; K130-E294 HydrophobicContact CD-CB 4.28Å; K130-E294 WeakPolarHBondContact O-CA 3.32Å |
| 131 | L | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -112.3 | 59.1 | 172.8 | -56.7 | 93.5 | 0 | 0 | 0 | 108.1 | F119 V122 F127 Y135 V293 A296 D297 | F119-L131 HydrophobicContact CD1-CD2 4.25Å; F119-L131 HydrophobicContact CE1-CD2 3.66Å; F119-L131 HydrophobicContact CZ-CD2 4.01Å; V122-L131 HydrophobicContact CG1-CD1 4.16Å; F127-L131 HydrophobicContact CB-CD1 4.44Å; F127-L131 HydrophobicContact CD1-CB 4.15Å; F127-L131 HydrophobicContact CD2-CD1 3.87Å; F127-L131 HydrophobicContact CD2-CD2 4.41Å; F127-L131 HydrophobicContact CE1-CB 4.02Å; F127-L131 HydrophobicContact CE2-CB 4.45Å; F127-L131 HydrophobicContact CE2-CD1 4.24Å; F127-L131 HydrophobicContact CE2-CD2 3.95Å; F127-L131 HydrophobicContact CE2-CG 4.47Å; F127-L131 HydrophobicContact CG-CB 4.43Å; F127-L131 HydrophobicContact CG-CD1 4.08Å; F127-L131 HydrophobicContact CZ-CB 4.17Å; F127-L131 HydrophobicContact CZ-CD2 4.17Å; F127-L131 CarbonylContact O-C 3.56Å; F127-L131 WeakPolarHBondContact O-CA 3.36Å; F127-L131 PolarHBondContact O-N 3.47Å; L131-Y135 VanDerWaalsContact O-CB 3.28Å; L131-Y135 WeakPolarHBondContact O-CB 3.39Å; L131-Y135 PolarHBondContact O-N 3.29Å; L131-V293 HydrophobicContact CD1-CB 4.47Å; L131-V293 HydrophobicContact CD1-CG1 3.88Å; L131-V293 HydrophobicContact CD1-CG2 3.8Å; L131-V293 HydrophobicContact CD2-CG2 4.43Å; L131-V293 HydrophobicContact CG-CG2 4.43Å; L131-A296 HydrophobicContact CD2-CB 4.11Å; L131-D297 VanDerWaalsContact C-CG 3.49Å; L131-D297 VanDerWaalsContact CA-OD1 3.28Å; L131-D297 WeakPolarHBondContact CA-OD1 3.31Å |
| 132 | K | 97.6 | Very high | 97.1 | Very high | 119 Ų | 119 | 43.5 Ų | 43.5 | 52% | 0.517 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.3 | -46.5 | -169.2 | -66.3 | 180 | -172.7 | 173.4 | 0 | 111 | M128 R129 T134 Y135 K136 D297 | M128-K132 WeakPolarHBondContact O-CG 3.33Å; R129-K132 WeakPolarHBondContact O-CE 3.41Å; K132-T134 VanDerWaalsContact C-N 3.34Å; K132-Y135 PolarHBondContact O-N 3.16Å; K132-K136 WeakPolarHBondContact O-CB 3.32Å; K132-K136 PolarHBondContact O-N 2.98Å; K132-D297 PolarHBondContact N-OD1 3.12Å; K132-D297 PolarHBondContact N-OD2 2.7Å |
| 133 | E | 98.5 | Very high | 97.2 | Very high | 108 Ų | 108 | 49.6 Ų | 49.6 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.2 | -35.9 | -178.7 | -61.4 | -53.2 | 129.3 | 0 | 0 | 110.5 | K136 H137 D297 V301 | E133-K136 PolarHBondContact O-N 3.22Å; E133-H137 VanDerWaalsContact O-CB 3.25Å; E133-H137 WeakPolarHBondContact O-CB 3.4Å; E133-H137 PolarHBondContact O-N 3.19Å; E133-D297 PolarHBondContact N-OD1 3.4Å; E133-D297 PolarHBondContact N-OD2 3.43Å; E133-V301 VanDerWaalsContact C-CG2 3.49Å; E133-V301 HydrophobicContact CB-CG2 3.85Å |
| 134 | T | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.3 | -50.4 | 172.4 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | F127 K132 K136 H137 I138 D297 T300 L304 | F127-T134 HydrophobicContact CE1-CG2 4.07Å; F127-T134 HydrophobicContact CZ-CG2 3.75Å; K132-T134 VanDerWaalsContact C-N 3.34Å; T134-K136 VanDerWaalsContact C-N 3.33Å; T134-K136 PolarHBondContact O-N 2.86Å; T134-H137 PolarHBondContact O-N 3.37Å; T134-I138 HydrophobicContact CG2-CD1 3.82Å; T134-I138 HydrophobicContact CG2-CG1 4.44Å; T134-I138 WeakPolarHBondContact O-CB 3.44Å; T134-I138 VanDerWaalsContact O-CG1 3.27Å; T134-I138 WeakPolarHBondContact O-CG1 3.36Å; T134-I138 PolarHBondContact O-N 3.19Å; T134-D297 VanDerWaalsContact CB-OD1 3.29Å; T134-D297 WeakPolarHBondContact CB-OD1 3.42Å; T134-D297 PolarHBondContact N-OD1 3.29Å; T134-D297 PolarHBondContact OG1-O 3.02Å; T134-D297 VanDerWaalsContact OG1-O 3.1Å; T134-D297 PolarHBondContact OG1-OD1 3.35Å; T134-T300 HydrophobicContact CG2-CG2 3.55Å; T134-L304 HydrophobicContact CG2-CD1 4.11Å |
| 135 | Y | 98.7 | Very high | 97.5 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 177.7 | 179.8 | -93.3 | 0 | 0 | 0 | 111.1 | F127 M128 L131 K132 I138 T139 V146 F345 | F127-Y135 HydrophobicContact CD1-CD2 4.14Å; F127-Y135 HydrophobicContact CE1-CD2 4.49Å; M128-Y135 HydrophobicContact CE-CE1 4.22Å; M128-Y135 HydrophobicContact CG-CD1 4.36Å; M128-Y135 HydrophobicContact CG-CD2 3.64Å; M128-Y135 HydrophobicContact CG-CE1 4.27Å; M128-Y135 HydrophobicContact CG-CE2 3.5Å; M128-Y135 VanDerWaalsContact CG-CE2 3.5Å; M128-Y135 HydrophobicContact CG-CG 4.08Å; M128-Y135 HydrophobicContact SD-CE2 4.12Å; L131-Y135 VanDerWaalsContact O-CB 3.28Å; L131-Y135 WeakPolarHBondContact O-CB 3.39Å; L131-Y135 PolarHBondContact O-N 3.29Å; K132-Y135 PolarHBondContact O-N 3.16Å; Y135-I138 PolarHBondContact O-N 3.46Å; Y135-T139 HydrophobicContact CD1-CG2 4.49Å; Y135-T139 HydrophobicContact CE1-CG2 4.09Å; Y135-T139 HydrophobicContact CE2-CG2 4.13Å; Y135-T139 WeakPolarHBondContact O-CB 3.36Å; Y135-T139 WeakPolarHBondContact O-CG2 3.41Å; Y135-T139 PolarHBondContact O-N 3.16Å; Y135-T139 PolarHBondContact O-OG1 3.06Å; Y135-V146 HydrophobicContact CE2-CG2 4.05Å; Y135-F345 HydrophobicContact CD2-CD2 4.36Å; Y135-F345 AromaticContact CD2-CE2 3.56Å; Y135-F345 HydrophobicContact CD2-CE2 3.56Å; Y135-F345 HydrophobicContact CD2-CZ 4.11Å; Y135-F345 HydrophobicContact CE2-CD2 4.49Å; Y135-F345 AromaticContact CE2-CE2 3.69Å; Y135-F345 HydrophobicContact CE2-CE2 3.69Å |
| 136 | K | 98.6 | Very high | 97.7 | Very high | 99 Ų | 99 | 46 Ų | 46 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.5 | -47.4 | 176.1 | -173.4 | -176.5 | 178.2 | -176.2 | 0 | 111.8 | K132 E133 T134 I138 T139 E140 | K132-K136 WeakPolarHBondContact O-CB 3.32Å; K132-K136 PolarHBondContact O-N 2.98Å; E133-K136 PolarHBondContact O-N 3.22Å; T134-K136 VanDerWaalsContact C-N 3.33Å; T134-K136 PolarHBondContact O-N 2.86Å; K136-I138 PolarHBondContact O-N 2.93Å; K136-T139 PolarHBondContact O-N 2.93Å; K136-T139 PolarHBondContact O-OG1 2.92Å; K136-E140 WeakPolarHBondContact CE-OE2 3.3Å; K136-E140 VanDerWaalsContact CG-CD 3.49Å; K136-E140 HydrophobicContact CG-CG 4.18Å; K136-E140 WeakPolarHBondContact CG-OE2 3.4Å; K136-E140 VanDerWaalsContact O-CB 3.31Å; K136-E140 WeakPolarHBondContact O-CB 3.4Å; K136-E140 PolarHBondContact O-N 3.23Å |
| 137 | H | 98.8 | Very high | 97.9 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -62.4 | -44.7 | 179.3 | -170 | 77.3 | 0 | 0 | 0 | 111.9 | E133 T134 T139 V141 L142 | E133-H137 VanDerWaalsContact O-CB 3.25Å; E133-H137 WeakPolarHBondContact O-CB 3.4Å; E133-H137 PolarHBondContact O-N 3.19Å; T134-H137 PolarHBondContact O-N 3.37Å; H137-T139 PolarHBondContact O-N 2.8Å; H137-V141 WeakPolarHBondContact O-CA 3.26Å; H137-V141 VanDerWaalsContact O-CB 3.29Å; H137-V141 WeakPolarHBondContact O-CB 3.38Å; H137-V141 PolarHBondContact O-N 3.16Å; H137-V141 VanDerWaalsContact O-N 3.07Å; H137-L142 PolarHBondContact O-N 3.15Å |
| 138 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -57.1 | -50.5 | 175.5 | -71.6 | 168.8 | 0 | 0 | 0 | 110.6 | F127 T134 Y135 K136 L142 N143 G144 L304 V320 F345 I349 | F127-I138 HydrophobicContact CE1-CD1 4.26Å; F127-I138 HydrophobicContact CZ-CD1 4.14Å; T134-I138 HydrophobicContact CG2-CD1 3.82Å; T134-I138 HydrophobicContact CG2-CG1 4.44Å; T134-I138 WeakPolarHBondContact O-CB 3.44Å; T134-I138 VanDerWaalsContact O-CG1 3.27Å; T134-I138 WeakPolarHBondContact O-CG1 3.36Å; T134-I138 PolarHBondContact O-N 3.19Å; Y135-I138 PolarHBondContact O-N 3.46Å; K136-I138 PolarHBondContact O-N 2.93Å; I138-L142 CarbonylContact O-C 3.54Å; I138-N143 PolarHBondContact O-N 3.34Å; I138-G144 WeakPolarHBondContact O-CA 3.5Å; I138-G144 PolarHBondContact O-N 3.34Å; I138-L304 HydrophobicContact CD1-CD1 4.31Å; I138-L304 HydrophobicContact CG1-CD1 3.77Å; I138-V320 HydrophobicContact CD1-CB 4.04Å; I138-V320 HydrophobicContact CD1-CG1 3.92Å; I138-V320 HydrophobicContact CD1-CG2 3.96Å; I138-F345 HydrophobicContact CD1-CE1 4.06Å; I138-F345 HydrophobicContact CD1-CZ 4.18Å; I138-I349 HydrophobicContact CG1-CD1 4.35Å; I138-I349 HydrophobicContact CG2-CD1 4.21Å; I138-I349 HydrophobicContact CG2-CG1 4.46Å |
| 139 | T | 98.4 | Very high | 97.8 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -80.9 | -41.9 | -170.1 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | Y135 K136 H137 V146 | Y135-T139 HydrophobicContact CD1-CG2 4.49Å; Y135-T139 HydrophobicContact CE1-CG2 4.09Å; Y135-T139 HydrophobicContact CE2-CG2 4.13Å; Y135-T139 WeakPolarHBondContact O-CB 3.36Å; Y135-T139 WeakPolarHBondContact O-CG2 3.41Å; Y135-T139 PolarHBondContact O-N 3.16Å; Y135-T139 PolarHBondContact O-OG1 3.06Å; K136-T139 PolarHBondContact O-N 2.93Å; K136-T139 PolarHBondContact O-OG1 2.92Å; H137-T139 PolarHBondContact O-N 2.8Å; T139-V146 HydrophobicContact CG2-CG2 3.71Å |
| 140 | E | 98.4 | Very high | 97.9 | Very high | 128 Ų | 128 | 47.9 Ų | 47.9 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -96.1 | -31.9 | -173.2 | -60.7 | -179.6 | -172.8 | 0 | 0 | 113.2 | K136 | K136-E140 WeakPolarHBondContact CE-OE2 3.3Å; K136-E140 VanDerWaalsContact CG-CD 3.49Å; K136-E140 HydrophobicContact CG-CG 4.18Å; K136-E140 WeakPolarHBondContact CG-OE2 3.4Å; K136-E140 VanDerWaalsContact O-CB 3.31Å; K136-E140 WeakPolarHBondContact O-CB 3.4Å; K136-E140 PolarHBondContact O-N 3.23Å |
| 141 | V | 98.3 | Very high | 98 | Very high | 70 Ų | 70 | 47.7 Ų | 47.7 | 42% | 0.424 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -98 | -46.4 | -176.3 | -178 | 0 | 0 | 0 | 0 | 111.2 | H137 | H137-V141 WeakPolarHBondContact O-CA 3.26Å; H137-V141 VanDerWaalsContact O-CB 3.29Å; H137-V141 WeakPolarHBondContact O-CB 3.38Å; H137-V141 PolarHBondContact O-N 3.16Å; H137-V141 VanDerWaalsContact O-N 3.07Å |
| 142 | L | 98.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -91.7 | -2.9 | -177.3 | -57.1 | -176.4 | 0 | 0 | 0 | 113.6 | H137 I138 G144 L304 Q308 L313 I349 | H137-L142 PolarHBondContact O-N 3.15Å; I138-L142 CarbonylContact O-C 3.54Å; L142-G144 PolarHBondContact O-N 3.48Å; L142-L304 HydrophobicContact CD1-CB 4.24Å; L142-L304 HydrophobicContact CD1-CD1 4.43Å; L142-L304 HydrophobicContact CD1-CD2 4.27Å; L142-Q308 HydrophobicContact CD2-CB 4.4Å; L142-Q308 HydrophobicContact CD2-CG 4.32Å; L142-L313 HydrophobicContact CD1-CD1 4.15Å; L142-L313 HydrophobicContact CD2-CD1 3.63Å; L142-L313 HydrophobicContact CG-CD1 4.49Å; L142-I349 HydrophobicContact CB-CD1 4.23Å; L142-I349 HydrophobicContact CB-CG1 4.35Å; L142-I349 HydrophobicContact CB-CG2 4.12Å; L142-I349 HydrophobicContact CD1-CD1 3.87Å |
| 143 | N | 97.6 | Very high | 97.7 | Very high | 131 Ų | 131 | 42.7 Ų | 42.7 | 70% | 0.701 | 22% | 0.216 | S | C | * | . | trans | 51.7 | 34.9 | -175.8 | -62.7 | -57.9 | 0 | 0 | 0 | 113.2 | I138 | I138-N143 PolarHBondContact O-N 3.34Š| ||
| 144 | G | 98.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | trans | -64.6 | 133.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I138 L142 I348 | I138-G144 WeakPolarHBondContact O-CA 3.5Å; I138-G144 PolarHBondContact O-N 3.34Å; L142-G144 PolarHBondContact O-N 3.48Å; G144-I348 WeakPolarHBondContact CA-O 3.33Å | ||
| 145 | T | 98.7 | Very high | 96.7 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 115.3 | 173.9 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | S347 I348 V365 | T145-S347 CarbonylContact O-C 3.55Å; T145-S347 WeakPolarHBondContact O-CA 3.32Å; T145-I348 PolarHBondContact N-O 3.35Å; T145-I348 PolarHBondContact O-N 3.2Å; T145-V365 HydrophobicContact CG2-CG1 4.18Å |
| 146 | V | 98.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 132.6 | 172.6 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | Y135 T139 E148 F345 V346 G369 | Y135-V146 HydrophobicContact CE2-CG2 4.05Å; T139-V146 HydrophobicContact CG2-CG2 3.71Å; V146-E148 HydrophobicContact CB-CG 4.43Å; V146-E148 HydrophobicContact CG1-CG 4.13Å; V146-E148 PolarHBondContact O-N 2.9Å; V146-F345 HydrophobicContact CG1-CD2 4.44Å; V146-F345 HydrophobicContact CG1-CE2 4.01Å; V146-F345 HydrophobicContact CG2-CE2 3.99Å; V146-F345 HydrophobicContact CG2-CZ 4.3Å; V146-V346 WeakPolarHBondContact CA-O 3.36Å; V146-G369 VanDerWaalsContact O-CA 3.25Å; V146-G369 WeakPolarHBondContact O-CA 3.43Å |
| 147 | L | 98.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | trans | -86.7 | 84.3 | 172.5 | -54.3 | -175.1 | 0 | 0 | 0 | 108.7 | M149 Y150 V346 L378 L403 | L147-M149 VanDerWaalsContact C-N 3.26Å; L147-M149 PolarHBondContact O-N 3.08Å; L147-Y150 HydrophobicContact CB-CD2 4.46Å; L147-Y150 HydrophobicContact CD1-CD2 3.96Å; L147-Y150 VanDerWaalsContact O-CB 3.3Å; L147-Y150 WeakPolarHBondContact O-CB 3.34Å; L147-Y150 PolarHBondContact O-N 3.19Å; L147-Y150 VanDerWaalsContact O-N 3.15Å; L147-V346 HydrophobicContact CB-CB 4.28Å; L147-V346 HydrophobicContact CD1-CB 4.27Å; L147-V346 HydrophobicContact CD1-CG1 3.73Å; L147-V346 HydrophobicContact CG-CB 4.47Å; L147-V346 HydrophobicContact CG-CG1 4.25Å; L147-V346 PolarHBondContact N-O 3.33Å; L147-L378 HydrophobicContact CD1-CD2 4.09Å; L147-L403 HydrophobicContact CD1-CD1 3.95Å; L147-L403 HydrophobicContact CD1-CD2 4.36Å; L147-L403 HydrophobicContact CD2-CD1 4.29Å; L147-L403 HydrophobicContact CD2-CD2 4.21Å | ||
| 148 | E | 96.1 | Very high | 95.5 | Very high | 74 Ų | 74 | 34.3 Ų | 34.3 | 35% | 0.346 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.2 | -169.2 | -62.3 | -164.4 | -155.6 | 0 | 0 | 114.2 | R124 V146 G369 | R124-E148 IonicContact CZ-OE2 2.78Å; R124-E148 IonicContact NH2-OE2 3.35Å; R124-E148 PolarHBondContact NH2-OE2 3.25Å; V146-E148 HydrophobicContact CB-CG 4.43Å; V146-E148 HydrophobicContact CG1-CG 4.13Å; V146-E148 PolarHBondContact O-N 2.9Å; E148-G369 WeakPolarHBondContact CB-O 3.35Å; E148-G369 PolarHBondContact N-O 2.94Å |
| 149 | M | 94.8 | Very high | 95.3 | Very high | 100 Ų | 100 | 35.4 Ų | 35.4 | 49% | 0.493 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 23.8 | 177.3 | -58.4 | -178.1 | 179.6 | 0 | 0 | 111.9 | L147 N151 R371 T373 | L147-M149 VanDerWaalsContact C-N 3.26Å; L147-M149 PolarHBondContact O-N 3.08Å; M149-N151 PolarHBondContact O-N 3.24Å; M149-R371 WeakPolarHBondContact CB-O 3.38Å; M149-T373 PolarHBondContact O-N 3.35Å |
| 150 | Y | 98 | Very high | 95.2 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -64.7 | 130.7 | 173.3 | -171.7 | -86.8 | 0 | 0 | 0 | 111.1 | L147 P344 V346 T373 P375 L378 | L147-Y150 HydrophobicContact CB-CD2 4.46Å; L147-Y150 HydrophobicContact CD1-CD2 3.96Å; L147-Y150 VanDerWaalsContact O-CB 3.3Å; L147-Y150 WeakPolarHBondContact O-CB 3.34Å; L147-Y150 PolarHBondContact O-N 3.19Å; L147-Y150 VanDerWaalsContact O-N 3.15Å; Y150-P344 HydrophobicContact CD1-CG 3.7Å; Y150-P344 HydrophobicContact CE1-CG 3.78Å; Y150-V346 HydrophobicContact CD1-CB 4.46Å; Y150-V346 HydrophobicContact CD1-CG2 3.47Å; Y150-V346 VanDerWaalsContact CD1-CG2 3.47Å; Y150-V346 HydrophobicContact CD2-CB 4.14Å; Y150-V346 HydrophobicContact CD2-CG1 4.36Å; Y150-V346 HydrophobicContact CD2-CG2 3.82Å; Y150-V346 HydrophobicContact CE1-CG2 3.56Å; Y150-V346 HydrophobicContact CE2-CG1 4.42Å; Y150-V346 HydrophobicContact CE2-CG2 3.92Å; Y150-V346 HydrophobicContact CG-CB 4.09Å; Y150-V346 HydrophobicContact CG-CG2 3.56Å; Y150-T373 WeakPolarHBondContact CA-O 3.34Å; Y150-T373 WeakPolarHBondContact CA-OG1 3.32Å; Y150-T373 WeakPolarHBondContact CD2-OG1 3.49Å; Y150-P375 HydrophobicContact CE1-CG 4.44Å; Y150-P375 WeakPolarHBondContact OH-CA 3.06Å; Y150-P375 VanDerWaalsContact OH-CD 3.26Å; Y150-P375 WeakPolarHBondContact OH-CD 3.4Å; Y150-P375 WeakPolarHBondContact OH-CG 3.45Å; Y150-L378 HydrophobicContact CE2-CD1 3.76Å; Y150-L378 HydrophobicContact CE2-CG 3.99Å; Y150-L378 WeakPolarHBondContact OH-CD1 3.16Å |
| 151 | N | 96.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | trans | -126.1 | 136.6 | -174.5 | -160.3 | 104.4 | 0 | 0 | 0 | 111.2 | M149 R342 L372 T373 P375 I418 W422 S424 | M149-N151 PolarHBondContact O-N 3.24Å; N151-R342 WeakPolarHBondContact CA-O 3.5Å; N151-L372 HydrophobicContact CB-CD1 3.84Å; N151-T373 PolarHBondContact N-O 2.98Å; N151-P375 WeakPolarHBondContact O-CD 3.33Å; N151-I418 HydrophobicContact CB-CD1 3.85Å; N151-W422 PolarHBondContact ND2-O 2.71Å; N151-W422 PolarHBondContact OD1-O 2.9Å; N151-S424 WeakPolarHBondContact OD1-CB 3.3Å; N151-S424 PolarHBondContact OD1-N 2.84Å; N151-S424 VanDerWaalsContact OD1-N 3.16Å; N151-S424 PolarHBondContact OD1-OG 2.99Å | ||
| 152 | T | 95.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | trans | -64.5 | 158.1 | 171.3 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | H324 R342 P344 | T152-H324 HydrophobicContact CG2-CB 3.88Å; T152-R342 PolarHBondContact N-O 3.05Å; T152-P344 HydrophobicContact CG2-CG 3.94Å | ||
| 153 | V | 93.3 | Very high | 95.1 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 7% | 0.067 | 14% | 0.137 | C | C | . | . | trans | -116.6 | 2.5 | 180 | -63.4 | 0 | 0 | 0 | 0 | 113 | A159 P163 T374 P375 F376 I418 P419 | V153-A159 VanDerWaalsContact CG2-O 3.23Å; V153-A159 WeakPolarHBondContact CG2-O 3.38Å; V153-P163 HydrophobicContact CG2-CB 4.48Å; V153-P163 HydrophobicContact CG2-CG 3.85Å; V153-T374 HydrophobicContact CG1-CG2 4.1Å; V153-P375 HydrophobicContact CG1-CG 4.5Å; V153-P375 HydrophobicContact CG2-CG 4.11Å; V153-F376 HydrophobicContact CB-CE2 4.2Å; V153-F376 HydrophobicContact CG1-CD2 4.2Å; V153-F376 HydrophobicContact CG1-CE2 3.86Å; V153-F376 HydrophobicContact CG2-CE2 4.14Å; V153-F376 HydrophobicContact CG2-CZ 4.48Å; V153-I418 HydrophobicContact CG1-CG1 3.99Å; V153-P419 VanDerWaalsContact O-CD 3.25Å; V153-P419 WeakPolarHBondContact O-CD 3.34Å | ||
| 154 | G | 89.3 | Confident | 95.2 | Very high | 12 Ų | 12 | 17.6 Ų | 17.6 | 12% | 0.124 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -176.9 | -174.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | A159 W422 | G154-A159 VanDerWaalsContact C-CB 3.42Å; G154-A159 VanDerWaalsContact CA-CB 3.48Å; G154-W422 VanDerWaalsContact C-CE2 3.4Å |
| 155 | D | 86.1 | Confident | 95.2 | Very high | 36 Ų | 36 | 17.1 Ų | 17.1 | 19% | 0.193 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -83.2 | 122.8 | -177.5 | -160.8 | 0.3 | 0 | 0 | 0 | 111.7 | R327 W422 | D155-R327 IonicContact OD1-CZ 3.78Å; D155-R327 IonicContact OD1-NE 3.19Å; D155-R327 PolarHBondContact OD1-NE 3.04Å; D155-R327 IonicContact OD1-NH2 2.97Å; D155-R327 PolarHBondContact OD1-NH2 3.27Å; D155-R327 IonicContact OD2-CZ 2.68Å; D155-R327 IonicContact OD2-NH2 3.65Å; D155-R327 PolarHBondContact OD2-NH2 3.17Å; D155-W422 VanDerWaalsContact CA-CZ2 3.43Å; D155-W422 HydrophobicContact CB-CH2 3.79Å; D155-W422 HydrophobicContact CB-CZ2 3.42Å; D155-W422 VanDerWaalsContact CB-CZ2 3.42Å |
| 156 | G | 87.9 | Confident | 95.2 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | 79.8 | -177.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | S158 A159 A160 H324 | G156-S158 PolarHBondContact O-N 2.94Å; G156-A159 PolarHBondContact O-N 2.79Å; G156-A160 PolarHBondContact O-N 2.94Å; G156-H324 WeakPolarHBondContact CA-CD2 3.26Å; G156-H324 VanDerWaalsContact CA-NE2 3.29Å; G156-H324 WeakPolarHBondContact CA-NE2 3.31Å |
| 157 | T | 92.5 | Very high | 95.1 | Very high | 19 Ų | 19 | 16.3 Ų | 16.3 | 12% | 0.117 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.7 | -44.6 | -175 | -44.6 | 0 | 0 | 0 | 0 | 113.1 | D120 A159 A160 L161 T214 I281 D323 H324 | D120-T157 PolarHBondContact OD2-OG1 3.49Å; T157-A159 VanDerWaalsContact C-N 3.28Å; T157-A159 PolarHBondContact O-N 3.29Å; T157-A160 PolarHBondContact O-N 3.33Å; T157-L161 HydrophobicContact CG2-CD1 3.7Å; T157-L161 HydrophobicContact CG2-CG 3.78Å; T157-L161 WeakPolarHBondContact O-CG 3.47Å; T157-L161 PolarHBondContact O-N 2.89Å; T157-T214 HydrophobicContact CG2-CG2 4.18Å; T157-T214 WeakPolarHBondContact CG2-OG1 3.48Å; T157-I281 HydrophobicContact CG2-CD1 4.17Å; T157-D323 VanDerWaalsContact CA-OD2 3.31Å; T157-D323 WeakPolarHBondContact CA-OD2 3.25Å; T157-D323 WeakPolarHBondContact CB-OD2 3.42Å; T157-D323 HydrophobicContact CG2-CB 4.38Å; T157-D323 VanDerWaalsContact CG2-OD2 3.29Å; T157-D323 WeakPolarHBondContact CG2-OD2 3.35Å; T157-D323 PolarHBondContact OG1-OD2 2.66Å; T157-H324 PolarHBondContact N-CD2 3.1Å; T157-H324 VanDerWaalsContact N-CD2 3.35Å; T157-H324 PolarHBondContact N-NE2 3.19Å |
| 158 | S | 92.2 | Very high | 95.1 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 17% | 0.168 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.2 | -40 | -179.9 | 51.3 | 0 | 0 | 0 | 0 | 112.5 | G156 A160 L162 W219 | G156-S158 PolarHBondContact O-N 2.94Å; S158-A160 VanDerWaalsContact C-N 3.29Å; S158-A160 PolarHBondContact O-N 2.97Å; S158-L162 VanDerWaalsContact O-CB 3.31Å; S158-L162 WeakPolarHBondContact O-CB 3.21Å; S158-L162 WeakPolarHBondContact O-CG 3.44Å; S158-L162 PolarHBondContact O-N 2.89Å; S158-W219 VanDerWaalsContact CB-CH2 3.5Å |
| 159 | A | 92.8 | Very high | 95 | Very high | 23 Ų | 23 | 18.2 Ų | 18.2 | 19% | 0.19 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -73.3 | -19.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V153 G154 G156 T157 P163 | V153-A159 VanDerWaalsContact CG2-O 3.23Å; V153-A159 WeakPolarHBondContact CG2-O 3.38Å; G154-A159 VanDerWaalsContact C-CB 3.42Å; G154-A159 VanDerWaalsContact CA-CB 3.48Å; G156-A159 PolarHBondContact O-N 2.79Å; T157-A159 VanDerWaalsContact C-N 3.28Å; T157-A159 PolarHBondContact O-N 3.29Å; A159-P163 WeakPolarHBondContact O-CD 3.32Å; A159-P163 VanDerWaalsContact O-CG 3.26Å; A159-P163 WeakPolarHBondContact O-CG 3.39Å |
| 160 | A | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 2% | 0.017 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -86.7 | -48.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G156 T157 S158 P163 I164 D323 | G156-A160 PolarHBondContact O-N 2.94Å; T157-A160 PolarHBondContact O-N 3.33Å; S158-A160 VanDerWaalsContact C-N 3.29Å; S158-A160 PolarHBondContact O-N 2.97Å; A160-P163 WeakPolarHBondContact O-CD 3.32Å; A160-I164 WeakPolarHBondContact O-CG1 3.38Å; A160-I164 PolarHBondContact O-N 2.81Å; A160-D323 HydrophobicContact CB-CB 3.72Å; A160-D323 VanDerWaalsContact CB-O 3.31Å; A160-D323 WeakPolarHBondContact CB-O 3.3Å |
| 161 | L | 97.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -76.4 | -38.4 | -169.2 | -60.1 | -156.8 | 0 | 0 | 0 | 113 | T157 I164 L165 T214 F279 I281 F321 D323 | T157-L161 HydrophobicContact CG2-CD1 3.7Å; T157-L161 HydrophobicContact CG2-CG 3.78Å; T157-L161 WeakPolarHBondContact O-CG 3.47Å; T157-L161 PolarHBondContact O-N 2.89Å; L161-I164 HydrophobicContact CD2-CD1 4.31Å; L161-I164 PolarHBondContact O-N 2.95Å; L161-L165 HydrophobicContact CB-CD1 4.26Å; L161-L165 VanDerWaalsContact O-CB 3.3Å; L161-L165 WeakPolarHBondContact O-CB 3.45Å; L161-L165 WeakPolarHBondContact O-CG 3.18Å; L161-L165 PolarHBondContact O-N 2.96Å; L161-T214 HydrophobicContact CB-CG2 4.43Å; L161-T214 HydrophobicContact CD1-CG2 4.06Å; L161-F279 HydrophobicContact CD1-CE1 3.97Å; L161-F279 HydrophobicContact CD1-CZ 4.26Å; L161-F279 HydrophobicContact CD2-CE1 4.39Å; L161-F279 HydrophobicContact CD2-CZ 3.88Å; L161-I281 HydrophobicContact CD1-CD1 3.97Å; L161-I281 HydrophobicContact CD2-CD1 4.31Å; L161-F321 HydrophobicContact CD2-CE2 3.67Å; L161-F321 HydrophobicContact CD2-CZ 4.03Å; L161-D323 HydrophobicContact CD2-CB 4.36Å |
| 162 | L | 97.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 177.7 | -74.6 | 179.8 | 0 | 0 | 0 | 112 | S158 I164 L165 T166 K168 E170 L173 Y189 F191 Y215 W219 | S158-L162 VanDerWaalsContact O-CB 3.31Å; S158-L162 WeakPolarHBondContact O-CB 3.21Å; S158-L162 WeakPolarHBondContact O-CG 3.44Å; S158-L162 PolarHBondContact O-N 2.89Å; L162-I164 PolarHBondContact O-N 3.08Å; L162-L165 PolarHBondContact O-N 2.84Å; L162-T166 HydrophobicContact CD2-CG2 4.41Å; L162-T166 WeakPolarHBondContact O-CA 3.45Å; L162-T166 WeakPolarHBondContact O-CB 3.3Å; L162-T166 PolarHBondContact O-N 2.98Å; L162-T166 PolarHBondContact O-OG1 3.44Å; L162-K168 CarbonylContact C-O 3.52Å; L162-K168 VanDerWaalsContact C-O 3.3Å; L162-E170 HydrophobicContact CD1-CB 3.95Å; L162-L173 HydrophobicContact CB-CD1 4.42Å; L162-L173 HydrophobicContact CD1-CD1 3.94Å; L162-L173 HydrophobicContact CD2-CD1 3.95Å; L162-L173 HydrophobicContact CG-CD1 4.35Å; L162-Y189 HydrophobicContact CD1-CE2 4.48Å; L162-Y189 HydrophobicContact CD2-CD2 3.72Å; L162-Y189 HydrophobicContact CD2-CE2 3.7Å; L162-F191 HydrophobicContact CD2-CE1 4.32Å; L162-Y215 HydrophobicContact CD2-CE1 3.99Å; L162-W219 HydrophobicContact CD1-CH2 3.27Å; L162-W219 HydrophobicContact CD1-CZ2 3.7Å; L162-W219 HydrophobicContact CD1-CZ3 4.17Å; L162-W219 HydrophobicContact CD2-CH2 4.08Å; L162-W219 HydrophobicContact CD2-CZ3 4.17Å; L162-W219 HydrophobicContact CG-CH2 3.7Å; L162-W219 HydrophobicContact CG-CZ3 4.25Å |
| 163 | P | 98.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 174.1 | -32.9 | 41.6 | 0 | 0 | 0 | 114.5 | V153 A159 A160 L165 G167 K168 P375 F376 H379 | V153-P163 HydrophobicContact CG2-CB 4.48Å; V153-P163 HydrophobicContact CG2-CG 3.85Å; A159-P163 WeakPolarHBondContact O-CD 3.32Å; A159-P163 VanDerWaalsContact O-CG 3.26Å; A159-P163 WeakPolarHBondContact O-CG 3.39Å; A160-P163 WeakPolarHBondContact O-CD 3.32Å; P163-L165 VanDerWaalsContact C-N 3.32Å; P163-L165 PolarHBondContact O-N 3.02Å; P163-G167 WeakPolarHBondContact O-CA 3.32Å; P163-G167 PolarHBondContact O-N 2.57Å; P163-K168 WeakPolarHBondContact CA-O 3.35Å; P163-P375 HydrophobicContact CB-CB 3.47Å; P163-P375 VanDerWaalsContact CB-CB 3.47Å; P163-P375 HydrophobicContact CG-CB 4.32Å; P163-F376 HydrophobicContact CB-CD1 3.79Å; P163-F376 HydrophobicContact CB-CE1 3.57Å; P163-F376 HydrophobicContact CB-CE2 4.47Å; P163-F376 HydrophobicContact CB-CG 4.34Å; P163-F376 HydrophobicContact CB-CZ 3.93Å; P163-F376 HydrophobicContact CG-CE1 3.94Å; P163-F376 HydrophobicContact CG-CZ 3.94Å; P163-H379 VanDerWaalsContact O-CB 3.31Å; P163-H379 WeakPolarHBondContact O-CB 3.02Å |
| 164 | I | 98.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -46.3 | 175.7 | -68.8 | 169.2 | 0 | 0 | 0 | 110.2 | F116 A160 L161 L162 F279 F321 P375 L378 H379 | F116-I164 HydrophobicContact CD1-CG2 4.43Å; F116-I164 HydrophobicContact CE1-CG2 3.78Å; F116-I164 HydrophobicContact CZ-CG2 3.98Å; A160-I164 WeakPolarHBondContact O-CG1 3.38Å; A160-I164 PolarHBondContact O-N 2.81Å; L161-I164 HydrophobicContact CD2-CD1 4.31Å; L161-I164 PolarHBondContact O-N 2.95Å; L162-I164 PolarHBondContact O-N 3.08Å; I164-F279 HydrophobicContact CG2-CE2 4.09Å; I164-F321 HydrophobicContact CD1-CD2 4.12Å; I164-F321 HydrophobicContact CD1-CE2 4.01Å; I164-P375 HydrophobicContact CG1-CB 3.89Å; I164-L378 HydrophobicContact CD1-CD1 4.04Å; I164-L378 HydrophobicContact CG1-CB 4.37Å; I164-L378 HydrophobicContact CG1-CD1 4.12Å; I164-H379 VanDerWaalsContact O-CB 3.3Å; I164-H379 WeakPolarHBondContact O-CB 3.06Å; I164-H379 PolarHBondContact O-ND1 3.07Å |
| 165 | L | 98.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -93 | -18.8 | -167.1 | -65.7 | 166.3 | 0 | 0 | 0 | 113.6 | L161 L162 P163 F191 I192 W193 Y215 F277 F279 | L161-L165 HydrophobicContact CB-CD1 4.26Å; L161-L165 VanDerWaalsContact O-CB 3.3Å; L161-L165 WeakPolarHBondContact O-CB 3.45Å; L161-L165 WeakPolarHBondContact O-CG 3.18Å; L161-L165 PolarHBondContact O-N 2.96Å; L162-L165 PolarHBondContact O-N 2.84Å; P163-L165 VanDerWaalsContact C-N 3.32Å; P163-L165 PolarHBondContact O-N 3.02Å; L165-F191 HydrophobicContact CB-CD1 3.91Å; L165-F191 HydrophobicContact CB-CE1 4.43Å; L165-F191 CarbonylContact O-C 3.59Å; L165-F191 WeakPolarHBondContact O-CA 3.34Å; L165-I192 HydrophobicContact CD2-CG2 3.98Å; L165-I192 WeakPolarHBondContact O-CB 3.48Å; L165-I192 PolarHBondContact O-N 3.3Å; L165-W193 HydrophobicContact CB-CZ3 4.19Å; L165-W193 HydrophobicContact CD1-CH2 4.27Å; L165-W193 HydrophobicContact CD1-CZ3 3.67Å; L165-W193 HydrophobicContact CD2-CE3 3.95Å; L165-W193 HydrophobicContact CD2-CZ3 3.71Å; L165-W193 HydrophobicContact CG-CZ3 4.06Å; L165-Y215 WeakPolarHBondContact CD1-OH 3.43Å; L165-F277 HydrophobicContact CD2-CZ 4.07Å; L165-F279 HydrophobicContact CD1-CD1 4.45Å; L165-F279 HydrophobicContact CD1-CE1 4.12Å; L165-F279 HydrophobicContact CD1-CE2 4.23Å; L165-F279 HydrophobicContact CD1-CZ 4Å; L165-F279 HydrophobicContact CD2-CD2 3.61Å; L165-F279 HydrophobicContact CD2-CE2 3.71Å; L165-F279 HydrophobicContact CD2-CG 4.15Å; L165-F279 HydrophobicContact CD2-CZ 4.34Å; L165-F279 HydrophobicContact CG-CD2 4.43Å; L165-F279 HydrophobicContact CG-CE2 4.09Å; L165-F279 HydrophobicContact CG-CZ 4.31Å |
| 166 | T | 98.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -127.2 | -12.1 | -177.4 | 72.7 | 0 | 0 | 0 | 0 | 113.2 | L162 K168 L173 F191 H379 | L162-T166 HydrophobicContact CD2-CG2 4.41Å; L162-T166 WeakPolarHBondContact O-CA 3.45Å; L162-T166 WeakPolarHBondContact O-CB 3.3Å; L162-T166 PolarHBondContact O-N 2.98Å; L162-T166 PolarHBondContact O-OG1 3.44Å; T166-K168 PolarHBondContact O-N 3.16Å; T166-K168 PolarHBondContact OG1-N 3.44Å; T166-K168 VanDerWaalsContact OG1-N 3.14Å; T166-K168 PolarHBondContact OG1-O 2.98Å; T166-L173 HydrophobicContact CG2-CD1 4.46Å; T166-F191 HydrophobicContact CG2-CD1 3.6Å; T166-F191 HydrophobicContact CG2-CE1 3.9Å; T166-F191 HydrophobicContact CG2-CG 4.25Å; T166-H379 VanDerWaalsContact C-CE1 3.45Å |
| 167 | G | 98.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 71.2 | 9.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P163 F376 H379 R399 | P163-G167 WeakPolarHBondContact O-CA 3.32Å; P163-G167 PolarHBondContact O-N 2.57Å; G167-F376 WeakPolarHBondContact O-CD1 3.38Å; G167-F376 WeakPolarHBondContact O-CE1 3.47Å; G167-H379 VanDerWaalsContact CA-CD2 3.42Å; G167-H379 WeakPolarHBondContact CA-CD2 3.25Å; G167-H379 PolarHBondContact N-CE1 3.08Å; G167-H379 PolarHBondContact N-ND1 3.35Å; G167-R399 PolarHBondContact O-NE 2.79Å; G167-R399 PolarHBondContact O-NH2 2.99Å |
| 168 | K | 98 | Very high | 95.4 | Very high | 76 Ų | 76 | 35.1 Ų | 35.1 | 33% | 0.33 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -132.5 | 155.8 | -171.3 | -67.7 | 176.8 | 172.9 | -71.2 | 0 | 112.7 | L162 P163 T166 E172 L173 P190 | L162-K168 CarbonylContact C-O 3.52Å; L162-K168 VanDerWaalsContact C-O 3.3Å; P163-K168 WeakPolarHBondContact CA-O 3.35Å; T166-K168 PolarHBondContact O-N 3.16Å; T166-K168 PolarHBondContact OG1-N 3.44Å; T166-K168 VanDerWaalsContact OG1-N 3.14Å; T166-K168 PolarHBondContact OG1-O 2.98Å; K168-E172 WeakPolarHBondContact CA-OE2 3.49Å; K168-E172 HydrophobicContact CB-CB 4.09Å; K168-E172 HydrophobicContact CG-CB 4.41Å; K168-L173 HydrophobicContact CB-CD1 4.36Å; K168-L173 HydrophobicContact CB-CD2 4.02Å; K168-L173 HydrophobicContact CB-CG 3.97Å; K168-L173 HydrophobicContact CD-CD2 3.7Å; K168-L173 HydrophobicContact CD-CG 4.38Å; K168-L173 HydrophobicContact CG-CD2 4.5Å; K168-P190 HydrophobicContact CD-CG 4.28Å |
| 169 | T | 94.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | trans | -83.8 | 167.5 | 169 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | V171 E172 L173 F376 | T169-V171 VanDerWaalsContact C-N 3.29Å; T169-V171 PolarHBondContact O-N 3.3Å; T169-V171 VanDerWaalsContact OG1-CG2 3.31Å; T169-V171 WeakPolarHBondContact OG1-CG2 3.41Å; T169-E172 PolarHBondContact N-OE2 3.08Å; T169-E172 PolarHBondContact O-N 3.49Å; T169-E172 VanDerWaalsContact O-N 3.16Å; T169-E172 WeakPolarHBondContact OG1-CG 3.14Å; T169-E172 PolarHBondContact OG1-OE2 3.47Å; T169-L173 WeakPolarHBondContact O-CD1 3.42Å; T169-L173 WeakPolarHBondContact O-CG 3.46Å; T169-L173 PolarHBondContact O-N 3.24Å; T169-F376 HydrophobicContact CG2-CE1 4.42Å; T169-F376 HydrophobicContact CG2-CZ 3.72Å | ||
| 170 | E | 91.2 | Very high | 94.9 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 23% | 0.234 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -54.7 | -42.6 | 176.7 | -176.3 | 174.4 | 174.2 | 0 | 0 | 112.1 | L162 E172 L173 R218 W219 | L162-E170 HydrophobicContact CD1-CB 3.95Å; E170-E172 VanDerWaalsContact C-N 3.25Å; E170-E172 PolarHBondContact O-N 2.95Å; E170-L173 PolarHBondContact O-N 2.74Å; E170-L173 VanDerWaalsContact O-N 3.14Å; E170-R218 IonicContact OE1-CZ 3.2Å; E170-R218 IonicContact OE1-NH2 3.06Å; E170-R218 PolarHBondContact OE1-NH2 3.35Å; E170-R218 IonicContact OE2-CZ 2.97Å; E170-R218 IonicContact OE2-NH2 3.14Å; E170-R218 PolarHBondContact OE2-NH2 3.06Å; E170-W219 HydrophobicContact CB-CZ2 4.49Å; E170-W219 HydrophobicContact CG-CZ2 3.92Å; E170-W219 PolarHBondContact OE1-NE1 3.33Å |
| 171 | V | 90.7 | Very high | 94.5 | Very high | 122 Ų | 122 | 42.8 Ų | 42.8 | 74% | 0.739 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -71.4 | -17 | -177.9 | -60.1 | 0 | 0 | 0 | 0 | 114.2 | T169 | T169-V171 VanDerWaalsContact C-N 3.29Å; T169-V171 PolarHBondContact O-N 3.3Å; T169-V171 VanDerWaalsContact OG1-CG2 3.31Å; T169-V171 WeakPolarHBondContact OG1-CG2 3.41Å |
| 172 | E | 95.5 | Very high | 94.1 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 36% | 0.36 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -91.1 | -4.2 | 175.3 | -66.1 | -178.4 | 111.4 | 0 | 0 | 113 | K168 T169 E170 R399 | K168-E172 WeakPolarHBondContact CA-OE2 3.49Å; K168-E172 HydrophobicContact CB-CB 4.09Å; K168-E172 HydrophobicContact CG-CB 4.41Å; T169-E172 PolarHBondContact N-OE2 3.08Å; T169-E172 PolarHBondContact O-N 3.49Å; T169-E172 VanDerWaalsContact O-N 3.16Å; T169-E172 WeakPolarHBondContact OG1-CG 3.14Å; T169-E172 PolarHBondContact OG1-OE2 3.47Å; E170-E172 VanDerWaalsContact C-N 3.25Å; E170-E172 PolarHBondContact O-N 2.95Å; E172-R399 IonicContact OE1-CZ 2.8Å; E172-R399 IonicContact OE1-NH1 3.81Å; E172-R399 PolarHBondContact OE1-NH1 2.85Å; E172-R399 IonicContact OE1-NH2 3.7Å; E172-R399 PolarHBondContact OE1-NH2 2.62Å; E172-R399 IonicContact OE2-CZ 2.74Å; E172-R399 VanDerWaalsContact OE2-CZ 3.29Å; E172-R399 IonicContact OE2-NH1 3.71Å; E172-R399 PolarHBondContact OE2-NH1 2.02Å; E172-R399 IonicContact OE2-NH2 2.78Å; E172-R399 PolarHBondContact OE2-NH2 2.91Å |
| 173 | L | 96.5 | Very high | 93.9 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -105.9 | 159 | -178.3 | -68.9 | 167.8 | 0 | 0 | 0 | 110.3 | L162 T166 K168 T169 E170 Y189 P190 | L162-L173 HydrophobicContact CB-CD1 4.42Å; L162-L173 HydrophobicContact CD1-CD1 3.94Å; L162-L173 HydrophobicContact CD2-CD1 3.95Å; L162-L173 HydrophobicContact CG-CD1 4.35Å; T166-L173 HydrophobicContact CG2-CD1 4.46Å; K168-L173 HydrophobicContact CB-CD1 4.36Å; K168-L173 HydrophobicContact CB-CD2 4.02Å; K168-L173 HydrophobicContact CB-CG 3.97Å; K168-L173 HydrophobicContact CD-CD2 3.7Å; K168-L173 HydrophobicContact CD-CG 4.38Å; K168-L173 HydrophobicContact CG-CD2 4.5Å; T169-L173 WeakPolarHBondContact O-CD1 3.42Å; T169-L173 WeakPolarHBondContact O-CG 3.46Å; T169-L173 PolarHBondContact O-N 3.24Å; E170-L173 PolarHBondContact O-N 2.74Å; E170-L173 VanDerWaalsContact O-N 3.14Å; L173-Y189 HydrophobicContact CB-CD1 4.02Å; L173-Y189 HydrophobicContact CB-CE1 3.62Å; L173-Y189 HydrophobicContact CD1-CD1 4.39Å; L173-Y189 HydrophobicContact CD1-CD2 3.97Å; L173-Y189 HydrophobicContact CD1-CE1 4.34Å; L173-Y189 HydrophobicContact CD1-CE2 3.94Å; L173-Y189 HydrophobicContact CD1-CG 4.2Å; L173-Y189 HydrophobicContact CD2-CD1 4.14Å; L173-Y189 HydrophobicContact CD2-CG 4.25Å; L173-Y189 HydrophobicContact CG-CD1 4.42Å; L173-Y189 HydrophobicContact CG-CE1 4.4Å; L173-P190 VanDerWaalsContact CD2-CD 3.46Å; L173-P190 HydrophobicContact CD2-CG 4.11Å |
| 174 | P | 96.4 | Very high | 93.9 | Very high | 62 Ų | 62 | 53.1 Ų | 53.1 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | trans | -56.9 | 151.8 | 174.5 | -25.4 | 35.2 | 0 | 0 | 0 | 112.5 | T176 V188 Y189 | P174-T176 PolarHBondContact O-N 2.75Å; P174-V188 HydrophobicContact CB-CG2 3.65Å; P174-V188 HydrophobicContact CG-CB 4.41Å; P174-V188 HydrophobicContact CG-CG2 3.78Å; P174-Y189 VanDerWaalsContact O-CE1 3.32Å; P174-Y189 WeakPolarHBondContact O-CE1 3.41Å; P174-Y189 PolarHBondContact O-OH 3.42Å | ||
| 175 | E | 95 | Very high | 93.8 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | trans | -67 | 123.6 | 178.1 | 179.8 | 57.5 | -102.9 | 0 | 0 | 112 | R177 Q180 A183 S184 | E175-R177 WeakPolarHBondContact OE1-CB 3.48Å; E175-R177 WeakPolarHBondContact OE1-CG 3.37Å; E175-R177 IonicContact OE1-CZ 3.81Å; E175-R177 PolarHBondContact OE1-N 2.78Å; E175-R177 IonicContact OE1-NE 3.62Å; E175-R177 PolarHBondContact OE1-NE 2.88Å; E175-R177 IonicContact OE2-CZ 2.82Å; E175-R177 VanDerWaalsContact OE2-CZ 3.26Å; E175-R177 IonicContact OE2-NE 2.82Å; E175-R177 PolarHBondContact OE2-NE 3.11Å; E175-R177 IonicContact OE2-NH2 2.67Å; E175-R177 PolarHBondContact OE2-NH2 2.87Å; E175-Q180 VanDerWaalsContact CD-CG 3.5Å; E175-Q180 HydrophobicContact CG-CB 3.69Å; E175-Q180 HydrophobicContact CG-CG 3.79Å; E175-A183 HydrophobicContact CG-CB 4.07Å; E175-A183 CarbonylContact O-C 3.52Å; E175-A183 VanDerWaalsContact O-CA 3.3Å; E175-A183 WeakPolarHBondContact O-CA 3.36Å; E175-A183 WeakPolarHBondContact O-CB 3.41Å; E175-S184 PolarHBondContact O-N 3.43Å | ||
| 176 | T | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -131.5 | 6.3 | 179.1 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | P174 S184 V186 V188 Y189 W219 K220 | P174-T176 PolarHBondContact O-N 2.75Å; T176-S184 VanDerWaalsContact CA-O 3.29Å; T176-S184 WeakPolarHBondContact CA-O 3.32Å; T176-S184 WeakPolarHBondContact CB-O 3.37Å; T176-S184 WeakPolarHBondContact CG2-O 3.38Å; T176-V186 HydrophobicContact CG2-CG2 4.36Å; T176-V188 HydrophobicContact CG2-CG2 4.15Å; T176-Y189 HydrophobicContact CG2-CD1 4.34Å; T176-Y189 HydrophobicContact CG2-CE1 3.47Å; T176-Y189 VanDerWaalsContact CG2-CE1 3.47Å; T176-Y189 PolarHBondContact OG1-OH 3.35Å; T176-W219 CarbonylContact O-C 3.55Å; T176-W219 WeakPolarHBondContact O-CA 3.35Å; T176-W219 VanDerWaalsContact O-CB 3.32Å; T176-W219 WeakPolarHBondContact O-CB 3.18Å; T176-W219 VanDerWaalsContact OG1-CG 3.31Å; T176-K220 PolarHBondContact O-N 2.94Å | ||
| 177 | R | 91.5 | Very high | 93.7 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 138.5 | 179 | -66.2 | 174.9 | -66.1 | 173.7 | -2.6 | 111.6 | E175 S179 Q180 A183 R218 | E175-R177 WeakPolarHBondContact OE1-CB 3.48Å; E175-R177 WeakPolarHBondContact OE1-CG 3.37Å; E175-R177 IonicContact OE1-CZ 3.81Å; E175-R177 PolarHBondContact OE1-N 2.78Å; E175-R177 IonicContact OE1-NE 3.62Å; E175-R177 PolarHBondContact OE1-NE 2.88Å; E175-R177 IonicContact OE2-CZ 2.82Å; E175-R177 VanDerWaalsContact OE2-CZ 3.26Å; E175-R177 IonicContact OE2-NE 2.82Å; E175-R177 PolarHBondContact OE2-NE 3.11Å; E175-R177 IonicContact OE2-NH2 2.67Å; E175-R177 PolarHBondContact OE2-NH2 2.87Å; R177-S179 PolarHBondContact O-N 2.74Å; R177-Q180 HydrophobicContact CB-CG 4.02Å; R177-Q180 PolarHBondContact O-N 2.8Å; R177-Q180 VanDerWaalsContact O-N 3.1Å; R177-A183 WeakPolarHBondContact O-CB 3.42Å; R177-R218 WeakPolarHBondContact CA-O 3.46Å |
| 178 | K | 89.8 | Confident | 93.7 | Very high | 91 Ų | 91 | 61.4 Ų | 61.4 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -32.1 | 178.3 | -63.3 | -177.9 | -171.7 | 175 | 0 | 112.4 | Q180 T216 R218 W219 K220 | K178-Q180 PolarHBondContact O-N 2.98Å; K178-T216 WeakPolarHBondContact CE-O 3.32Å; K178-T216 PolarHBondContact NZ-O 2.88Å; K178-R218 PolarHBondContact N-O 2.98Å; K178-W219 WeakPolarHBondContact CE-O 3.07Å; K178-W219 WeakPolarHBondContact CG-O 3.3Å; K178-K220 HydrophobicContact CG-CG 4.38Å |
| 179 | S | 86.1 | Confident | 93.7 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.5 | -179.8 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | R177 K556 D557 | R177-S179 PolarHBondContact O-N 2.74Å; S179-K556 WeakPolarHBondContact CA-O 3.45Å; S179-K556 WeakPolarHBondContact CB-O 3.08Å; S179-D557 VanDerWaalsContact CB-OD1 3.26Å; S179-D557 WeakPolarHBondContact CB-OD1 3.16Å; S179-D557 PolarHBondContact OG-OD1 2.88Å |
| 180 | Q | 88.3 | Confident | 93.9 | Very high | 64 Ų | 64 | 59.2 Ų | 59.2 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -99.2 | 119 | -177.5 | -59.7 | -59.2 | -38.4 | 0 | 0 | 110.2 | E175 R177 K178 N182 A183 | E175-Q180 VanDerWaalsContact CD-CG 3.5Å; E175-Q180 HydrophobicContact CG-CB 3.69Å; E175-Q180 HydrophobicContact CG-CG 3.79Å; R177-Q180 HydrophobicContact CB-CG 4.02Å; R177-Q180 PolarHBondContact O-N 2.8Å; R177-Q180 VanDerWaalsContact O-N 3.1Å; K178-Q180 PolarHBondContact O-N 2.98Å; Q180-N182 VanDerWaalsContact C-N 3.32Å; Q180-N182 PolarHBondContact O-N 2.91Å; Q180-A183 HydrophobicContact CB-CB 4Å; Q180-A183 WeakPolarHBondContact O-CB 3.48Å; Q180-A183 PolarHBondContact O-N 3.15Å; Q180-A183 VanDerWaalsContact O-N 3.15Å |
| 181 | P | 86.5 | Confident | 94.2 | Very high | 114 Ų | 114 | 56.9 Ų | 56.9 | 74% | 0.74 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -41.9 | -173.2 | -28.8 | 34.5 | 0 | 0 | 0 | 114.4 | ||
| 182 | N | 91.1 | Very high | 94.6 | Very high | 162 Ų | 162 | 51.3 Ų | 51.3 | 87% | 0.866 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 18.1 | -176.1 | -64.7 | -22.9 | 0 | 0 | 0 | 113.5 | Q180 | Q180-N182 VanDerWaalsContact C-N 3.32Å; Q180-N182 PolarHBondContact O-N 2.91Å |
| 183 | A | 93.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -67 | 144.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | E175 R177 Q180 K220 | E175-A183 HydrophobicContact CG-CB 4.07Å; E175-A183 CarbonylContact O-C 3.52Å; E175-A183 VanDerWaalsContact O-CA 3.3Å; E175-A183 WeakPolarHBondContact O-CA 3.36Å; E175-A183 WeakPolarHBondContact O-CB 3.41Å; R177-A183 WeakPolarHBondContact O-CB 3.42Å; Q180-A183 HydrophobicContact CB-CB 4Å; Q180-A183 WeakPolarHBondContact O-CB 3.48Å; Q180-A183 PolarHBondContact O-N 3.15Å; Q180-A183 VanDerWaalsContact O-N 3.15Å; A183-K220 HydrophobicContact CB-CD 4.23Å; A183-K220 PolarHBondContact O-NZ 3.01Å |
| 184 | S | 96.7 | Very high | 94.7 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 168.7 | 171 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | E175 T176 | E175-S184 PolarHBondContact O-N 3.43Å; T176-S184 VanDerWaalsContact CA-O 3.29Å; T176-S184 WeakPolarHBondContact CA-O 3.32Å; T176-S184 WeakPolarHBondContact CB-O 3.37Å; T176-S184 WeakPolarHBondContact CG2-O 3.38Å |
| 185 | F | 97.4 | Very high | 94.7 | Very high | 86 Ų | 86 | 51 Ų | 51 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 159.5 | 162 | -68.8 | -94.8 | 0 | 0 | 0 | 110.2 | D187 V188 K220 K223 | F185-D187 WeakPolarHBondContact CB-OD2 3.36Å; F185-D187 PolarHBondContact O-N 3.07Å; F185-V188 WeakPolarHBondContact O-CG2 3.33Å; F185-V188 PolarHBondContact O-N 2.92Å; F185-K220 HydrophobicContact CD1-CB 3.94Å; F185-K220 WeakPolarHBondContact CD1-O 3.38Å; F185-K220 HydrophobicContact CE1-CB 4.3Å; F185-K220 HydrophobicContact CG-CB 4.41Å; F185-K223 HydrophobicContact CB-CB 4.01Å; F185-K223 HydrophobicContact CD1-CB 3.8Å; F185-K223 HydrophobicContact CD2-CB 3.98Å; F185-K223 HydrophobicContact CD2-CD 4.1Å; F185-K223 HydrophobicContact CD2-CG 4.47Å; F185-K223 HydrophobicContact CE1-CB 4.21Å; F185-K223 HydrophobicContact CE2-CB 4.38Å; F185-K223 HydrophobicContact CE2-CD 4.09Å; F185-K223 HydrophobicContact CE2-CG 4.48Å; F185-K223 HydrophobicContact CG-CB 3.68Å; F185-K223 HydrophobicContact CZ-CB 4.48Å |
| 186 | V | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -63.8 | -14.2 | -176.9 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | T176 V188 Y189 F191 Y215 W219 G221 F222 | T176-V186 HydrophobicContact CG2-CG2 4.36Å; V186-V188 PolarHBondContact O-N 2.8Å; V186-Y189 HydrophobicContact CG1-CD2 3.67Å; V186-Y189 HydrophobicContact CG1-CE2 3.95Å; V186-Y189 HydrophobicContact CG1-CG 4.29Å; V186-Y189 WeakPolarHBondContact O-CB 3.42Å; V186-Y189 PolarHBondContact O-N 3.49Å; V186-F191 HydrophobicContact CG1-CE2 3.61Å; V186-F191 HydrophobicContact CG1-CZ 3.48Å; V186-F191 VanDerWaalsContact CG1-CZ 3.48Å; V186-F191 WeakPolarHBondContact O-CE2 3.41Å; V186-Y215 HydrophobicContact CG1-CD1 3.89Å; V186-Y215 HydrophobicContact CG1-CG 4.35Å; V186-W219 HydrophobicContact CG2-CB 3.71Å; V186-W219 HydrophobicContact CG2-CE3 4.19Å; V186-W219 HydrophobicContact CG2-CG 4.38Å; V186-G221 WeakPolarHBondContact CB-O 3.42Å; V186-G221 PolarHBondContact N-O 3.04Å; V186-F222 HydrophobicContact CB-CD1 4.31Å; V186-F222 HydrophobicContact CB-CE1 4.23Å; V186-F222 HydrophobicContact CG1-CD1 4.32Å; V186-F222 HydrophobicContact CG1-CE1 3.75Å; V186-F222 HydrophobicContact CG1-CE2 4.39Å; V186-F222 HydrophobicContact CG1-CZ 3.77Å |
| 187 | D | 97.7 | Very high | 94.7 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.214 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -50.8 | -22.8 | 170.9 | -54.6 | -117.4 | 0 | 0 | 0 | 114.3 | F185 Y189 K194 F222 K223 E224 | F185-D187 WeakPolarHBondContact CB-OD2 3.36Å; F185-D187 PolarHBondContact O-N 3.07Å; D187-Y189 VanDerWaalsContact C-N 3.27Å; D187-Y189 PolarHBondContact O-N 3.09Å; D187-K194 PolarHBondContact O-NZ 2.88Å; D187-F222 WeakPolarHBondContact OD2-CA 3.21Å; D187-K223 PolarHBondContact OD1-N 3Å; D187-K223 PolarHBondContact OD2-N 2.78Å; D187-E224 PolarHBondContact OD1-N 3.25Å |
| 188 | V | 97.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 57.2 Ų | 57.2 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -77.1 | -12 | 178.4 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | P174 T176 F185 V186 | P174-V188 HydrophobicContact CB-CG2 3.65Å; P174-V188 HydrophobicContact CG-CB 4.41Å; P174-V188 HydrophobicContact CG-CG2 3.78Å; T176-V188 HydrophobicContact CG2-CG2 4.15Å; F185-V188 WeakPolarHBondContact O-CG2 3.33Å; F185-V188 PolarHBondContact O-N 2.92Å; V186-V188 PolarHBondContact O-N 2.8Å |
| 189 | Y | 98.4 | Very high | 95 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -72.8 | 144.8 | -177.8 | -68.5 | -0.9 | 0 | 0 | 0 | 112.1 | L162 L173 P174 T176 V186 D187 F191 K194 | L162-Y189 HydrophobicContact CD1-CE2 4.48Å; L162-Y189 HydrophobicContact CD2-CD2 3.72Å; L162-Y189 HydrophobicContact CD2-CE2 3.7Å; L173-Y189 HydrophobicContact CB-CD1 4.02Å; L173-Y189 HydrophobicContact CB-CE1 3.62Å; L173-Y189 HydrophobicContact CD1-CD1 4.39Å; L173-Y189 HydrophobicContact CD1-CD2 3.97Å; L173-Y189 HydrophobicContact CD1-CE1 4.34Å; L173-Y189 HydrophobicContact CD1-CE2 3.94Å; L173-Y189 HydrophobicContact CD1-CG 4.2Å; L173-Y189 HydrophobicContact CD2-CD1 4.14Å; L173-Y189 HydrophobicContact CD2-CG 4.25Å; L173-Y189 HydrophobicContact CG-CD1 4.42Å; L173-Y189 HydrophobicContact CG-CE1 4.4Å; P174-Y189 VanDerWaalsContact O-CE1 3.32Å; P174-Y189 WeakPolarHBondContact O-CE1 3.41Å; P174-Y189 PolarHBondContact O-OH 3.42Å; T176-Y189 HydrophobicContact CG2-CD1 4.34Å; T176-Y189 HydrophobicContact CG2-CE1 3.47Å; T176-Y189 VanDerWaalsContact CG2-CE1 3.47Å; T176-Y189 PolarHBondContact OG1-OH 3.35Å; V186-Y189 HydrophobicContact CG1-CD2 3.67Å; V186-Y189 HydrophobicContact CG1-CE2 3.95Å; V186-Y189 HydrophobicContact CG1-CG 4.29Å; V186-Y189 WeakPolarHBondContact O-CB 3.42Å; V186-Y189 PolarHBondContact O-N 3.49Å; D187-Y189 VanDerWaalsContact C-N 3.27Å; D187-Y189 PolarHBondContact O-N 3.09Å; Y189-F191 VanDerWaalsContact CB-CE2 3.46Å; Y189-F191 HydrophobicContact CD2-CE1 4.34Å; Y189-F191 HydrophobicContact CD2-CE2 4.08Å; Y189-F191 AromaticContact CD2-CZ 3.68Å; Y189-F191 HydrophobicContact CD2-CZ 3.68Å; Y189-F191 HydrophobicContact CG-CE2 4.19Å; Y189-F191 HydrophobicContact CG-CZ 4.24Å; Y189-F191 PolarHBondContact O-N 2.95Å; Y189-K194 PolarHBondContact O-NZ 3.03Å |
| 190 | P | 98 | Very high | 95.4 | Very high | 68 Ų | 68 | 53 Ų | 53 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | trans | -83.6 | 58.6 | -178.8 | 36.5 | -35.5 | 0 | 0 | 0 | 110.8 | K168 L173 | K168-P190 HydrophobicContact CD-CG 4.28Å; L173-P190 VanDerWaalsContact CD2-CD 3.46Å; L173-P190 HydrophobicContact CD2-CG 4.11Å | ||
| 191 | F | 98.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | trans | -61.5 | 139 | 179.6 | -66.2 | -73.1 | 0 | 0 | 0 | 112.5 | L162 L165 T166 V186 Y189 W193 K194 Y215 F222 | L162-F191 HydrophobicContact CD2-CE1 4.32Å; L165-F191 HydrophobicContact CB-CD1 3.91Å; L165-F191 HydrophobicContact CB-CE1 4.43Å; L165-F191 CarbonylContact O-C 3.59Å; L165-F191 WeakPolarHBondContact O-CA 3.34Å; T166-F191 HydrophobicContact CG2-CD1 3.6Å; T166-F191 HydrophobicContact CG2-CE1 3.9Å; T166-F191 HydrophobicContact CG2-CG 4.25Å; V186-F191 HydrophobicContact CG1-CE2 3.61Å; V186-F191 HydrophobicContact CG1-CZ 3.48Å; V186-F191 VanDerWaalsContact CG1-CZ 3.48Å; V186-F191 WeakPolarHBondContact O-CE2 3.41Å; Y189-F191 VanDerWaalsContact CB-CE2 3.46Å; Y189-F191 HydrophobicContact CD2-CE1 4.34Å; Y189-F191 HydrophobicContact CD2-CE2 4.08Å; Y189-F191 AromaticContact CD2-CZ 3.68Å; Y189-F191 HydrophobicContact CD2-CZ 3.68Å; Y189-F191 HydrophobicContact CG-CE2 4.19Å; Y189-F191 HydrophobicContact CG-CZ 4.24Å; Y189-F191 PolarHBondContact O-N 2.95Å; F191-W193 HydrophobicContact CB-CD2 3.49Å; F191-W193 VanDerWaalsContact CB-CD2 3.49Å; F191-W193 HydrophobicContact CB-CE3 3.92Å; F191-W193 HydrophobicContact CB-CG 4.1Å; F191-W193 HydrophobicContact CB-CH2 3.85Å; F191-W193 HydrophobicContact CB-CZ2 3.4Å; F191-W193 VanDerWaalsContact CB-CZ2 3.4Å; F191-W193 HydrophobicContact CB-CZ3 4.1Å; F191-W193 HydrophobicContact CD1-CE3 4.37Å; F191-W193 AromaticContact CD1-CH2 3.16Å; F191-W193 HydrophobicContact CD1-CH2 3.16Å; F191-W193 AromaticContact CD1-CZ2 3.43Å; F191-W193 HydrophobicContact CD1-CZ2 3.43Å; F191-W193 VanDerWaalsContact CD1-CZ2 3.43Å; F191-W193 AromaticContact CD1-CZ3 3.71Å; F191-W193 HydrophobicContact CD1-CZ3 3.71Å; F191-W193 AromaticContact CD2-CE2 3.84Å; F191-W193 AromaticContact CD2-CH2 3.94Å; F191-W193 HydrophobicContact CD2-CH2 3.94Å; F191-W193 AromaticContact CD2-CZ2 3.29Å; F191-W193 HydrophobicContact CD2-CZ2 3.29Å; F191-W193 AromaticContact CE1-CH2 3.48Å; F191-W193 HydrophobicContact CE1-CH2 3.48Å; F191-W193 VanDerWaalsContact CE1-CH2 3.48Å; F191-W193 AromaticContact CE1-CZ2 3.89Å; F191-W193 HydrophobicContact CE1-CZ2 3.89Å; F191-W193 HydrophobicContact CE1-CZ3 4.3Å; F191-W193 HydrophobicContact CE2-CH2 4.21Å; F191-W193 AromaticContact CE2-CZ2 3.77Å; F191-W193 HydrophobicContact CE2-CZ2 3.77Å; F191-W193 HydrophobicContact CG-CD2 4.15Å; F191-W193 AromaticContact CG-CE2 3.5Å; F191-W193 VanDerWaalsContact CG-CE2 3.5Å; F191-W193 HydrophobicContact CG-CE3 4.38Å; F191-W193 AromaticContact CG-CH2 3.4Å; F191-W193 HydrophobicContact CG-CH2 3.4Å; F191-W193 VanDerWaalsContact CG-CH2 3.4Å; F191-W193 AromaticContact CG-CZ2 3.08Å; F191-W193 HydrophobicContact CG-CZ2 3.08Å; F191-W193 HydrophobicContact CG-CZ3 4.06Å; F191-W193 AromaticContact CZ-CH2 3.99Å; F191-W193 HydrophobicContact CZ-CH2 3.99Å; F191-W193 HydrophobicContact CZ-CZ2 4.03Å; F191-W193 PolarHBondContact O-N 3.11Å; F191-K194 VanDerWaalsContact O-CB 3.3Å; F191-K194 WeakPolarHBondContact O-CB 3.45Å; F191-K194 PolarHBondContact O-N 3.46Å; F191-Y215 AromaticContact CE1-CE1 3.81Å; F191-Y215 HydrophobicContact CE1-CE1 3.81Å; F191-Y215 HydrophobicContact CZ-CD1 4.17Å; F191-Y215 AromaticContact CZ-CE1 3.81Å; F191-Y215 HydrophobicContact CZ-CE1 3.81Å; F191-F222 HydrophobicContact CD2-CE1 4.11Å; F191-F222 HydrophobicContact CD2-CZ 4.41Å; F191-F222 AromaticContact CE2-CE1 3.41Å; F191-F222 HydrophobicContact CE2-CE1 3.41Å; F191-F222 VanDerWaalsContact CE2-CE1 3.41Å; F191-F222 AromaticContact CE2-CZ 3.59Å; F191-F222 HydrophobicContact CE2-CZ 3.59Å; F191-F222 HydrophobicContact CZ-CE1 4.04Å; F191-F222 AromaticContact CZ-CZ 3.73Å; F191-F222 HydrophobicContact CZ-CZ 3.73Å | ||
| 192 | I | 98.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -30.5 | -174.6 | -169 | 60.8 | 0 | 0 | 0 | 112 | L165 K194 E195 L196 F277 V382 | L165-I192 HydrophobicContact CD2-CG2 3.98Å; L165-I192 WeakPolarHBondContact O-CB 3.48Å; L165-I192 PolarHBondContact O-N 3.3Å; I192-K194 PolarHBondContact O-N 3.27Å; I192-E195 HydrophobicContact CD1-CB 4.36Å; I192-E195 WeakPolarHBondContact O-CB 3.39Å; I192-E195 PolarHBondContact O-N 3.35Å; I192-L196 HydrophobicContact CG1-CD1 4.06Å; I192-L196 HydrophobicContact CG1-CG 4.29Å; I192-L196 HydrophobicContact CG2-CD1 4.42Å; I192-L196 VanDerWaalsContact O-CG 3.32Å; I192-L196 WeakPolarHBondContact O-CG 3.35Å; I192-L196 PolarHBondContact O-N 3.29Å; I192-F277 HydrophobicContact CG2-CE2 4.37Å; I192-F277 HydrophobicContact CG2-CZ 4.13Å; I192-V382 HydrophobicContact CD1-CG1 4.49Å; I192-V382 HydrophobicContact CG1-CG1 3.79Å |
| 193 | W | 97.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -27.5 | 175.1 | 57.5 | 78.7 | 0 | 0 | 0 | 113.1 | L165 F191 K197 T203 F222 P226 T227 F277 | L165-W193 HydrophobicContact CB-CZ3 4.19Å; L165-W193 HydrophobicContact CD1-CH2 4.27Å; L165-W193 HydrophobicContact CD1-CZ3 3.67Å; L165-W193 HydrophobicContact CD2-CE3 3.95Å; L165-W193 HydrophobicContact CD2-CZ3 3.71Å; L165-W193 HydrophobicContact CG-CZ3 4.06Å; F191-W193 HydrophobicContact CB-CD2 3.49Å; F191-W193 VanDerWaalsContact CB-CD2 3.49Å; F191-W193 HydrophobicContact CB-CE3 3.92Å; F191-W193 HydrophobicContact CB-CG 4.1Å; F191-W193 HydrophobicContact CB-CH2 3.85Å; F191-W193 HydrophobicContact CB-CZ2 3.4Å; F191-W193 VanDerWaalsContact CB-CZ2 3.4Å; F191-W193 HydrophobicContact CB-CZ3 4.1Å; F191-W193 HydrophobicContact CD1-CE3 4.37Å; F191-W193 AromaticContact CD1-CH2 3.16Å; F191-W193 HydrophobicContact CD1-CH2 3.16Å; F191-W193 AromaticContact CD1-CZ2 3.43Å; F191-W193 HydrophobicContact CD1-CZ2 3.43Å; F191-W193 VanDerWaalsContact CD1-CZ2 3.43Å; F191-W193 AromaticContact CD1-CZ3 3.71Å; F191-W193 HydrophobicContact CD1-CZ3 3.71Å; F191-W193 AromaticContact CD2-CE2 3.84Å; F191-W193 AromaticContact CD2-CH2 3.94Å; F191-W193 HydrophobicContact CD2-CH2 3.94Å; F191-W193 AromaticContact CD2-CZ2 3.29Å; F191-W193 HydrophobicContact CD2-CZ2 3.29Å; F191-W193 AromaticContact CE1-CH2 3.48Å; F191-W193 HydrophobicContact CE1-CH2 3.48Å; F191-W193 VanDerWaalsContact CE1-CH2 3.48Å; F191-W193 AromaticContact CE1-CZ2 3.89Å; F191-W193 HydrophobicContact CE1-CZ2 3.89Å; F191-W193 HydrophobicContact CE1-CZ3 4.3Å; F191-W193 HydrophobicContact CE2-CH2 4.21Å; F191-W193 AromaticContact CE2-CZ2 3.77Å; F191-W193 HydrophobicContact CE2-CZ2 3.77Å; F191-W193 HydrophobicContact CG-CD2 4.15Å; F191-W193 AromaticContact CG-CE2 3.5Å; F191-W193 VanDerWaalsContact CG-CE2 3.5Å; F191-W193 HydrophobicContact CG-CE3 4.38Å; F191-W193 AromaticContact CG-CH2 3.4Å; F191-W193 HydrophobicContact CG-CH2 3.4Å; F191-W193 VanDerWaalsContact CG-CH2 3.4Å; F191-W193 AromaticContact CG-CZ2 3.08Å; F191-W193 HydrophobicContact CG-CZ2 3.08Å; F191-W193 HydrophobicContact CG-CZ3 4.06Å; F191-W193 AromaticContact CZ-CH2 3.99Å; F191-W193 HydrophobicContact CZ-CH2 3.99Å; F191-W193 HydrophobicContact CZ-CZ2 4.03Å; F191-W193 PolarHBondContact O-N 3.11Å; W193-K197 VanDerWaalsContact O-CB 3.31Å; W193-K197 WeakPolarHBondContact O-CB 3.41Å; W193-K197 PolarHBondContact O-N 3.33Å; W193-T203 HydrophobicContact CB-CG2 4.06Å; W193-F222 HydrophobicContact CH2-CZ 4.33Å; W193-F222 HydrophobicContact CZ2-CE1 4.24Å; W193-F222 AromaticContact CZ2-CZ 3.92Å; W193-F222 HydrophobicContact CZ2-CZ 3.92Å; W193-P226 HydrophobicContact CZ2-CB 4.1Å; W193-P226 PolarHBondContact NE1-O 3.08Å; W193-T227 HydrophobicContact CB-CG2 4.31Å; W193-T227 HydrophobicContact CD2-CG2 4.09Å; W193-T227 HydrophobicContact CG-CG2 3.94Å; W193-F277 HydrophobicContact CB-CD1 3.9Å; W193-F277 HydrophobicContact CB-CE1 3.85Å; W193-F277 HydrophobicContact CE3-CE1 4.04Å |
| 194 | K | 96.7 | Very high | 96.8 | Very high | 83 Ų | 83 | 36.7 Ų | 36.7 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.6 | -36.7 | 173.7 | -61.9 | 178.2 | 176.2 | 174.3 | 0 | 111.7 | D187 Y189 F191 I192 | D187-K194 PolarHBondContact O-NZ 2.88Å; Y189-K194 PolarHBondContact O-NZ 3.03Å; F191-K194 VanDerWaalsContact O-CB 3.3Å; F191-K194 WeakPolarHBondContact O-CB 3.45Å; F191-K194 PolarHBondContact O-N 3.46Å; I192-K194 PolarHBondContact O-N 3.27Å |
| 195 | E | 95.9 | Very high | 96.9 | Very high | 63 Ų | 63 | 34.8 Ų | 34.8 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.3 | -49.4 | 173.6 | -171.2 | 170.9 | -170.1 | 0 | 0 | 109.6 | I192 K197 R198 F199 L386 | I192-E195 HydrophobicContact CD1-CB 4.36Å; I192-E195 WeakPolarHBondContact O-CB 3.39Å; I192-E195 PolarHBondContact O-N 3.35Å; E195-K197 VanDerWaalsContact C-N 3.29Å; E195-K197 PolarHBondContact O-N 2.78Å; E195-R198 VanDerWaalsContact O-CB 3.28Å; E195-R198 WeakPolarHBondContact O-CB 3.31Å; E195-R198 PolarHBondContact O-N 2.95Å; E195-F199 HydrophobicContact CG-CE2 4.33Å; E195-F199 WeakPolarHBondContact O-CD2 3.45Å; E195-L386 HydrophobicContact CG-CD1 3.96Å |
| 196 | L | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.7 | -38.9 | 177.3 | -68.5 | 165 | 0 | 0 | 0 | 112.7 | I114 I192 R198 F199 G200 Y201 F277 V382 L386 | I114-L196 HydrophobicContact CD1-CD1 4.28Å; I114-L196 HydrophobicContact CD1-CD2 3.71Å; I192-L196 HydrophobicContact CG1-CD1 4.06Å; I192-L196 HydrophobicContact CG1-CG 4.29Å; I192-L196 HydrophobicContact CG2-CD1 4.42Å; I192-L196 VanDerWaalsContact O-CG 3.32Å; I192-L196 WeakPolarHBondContact O-CG 3.35Å; I192-L196 PolarHBondContact O-N 3.29Å; L196-R198 PolarHBondContact O-N 2.64Å; L196-F199 CarbonylContact O-C 2.94Å; L196-F199 WeakPolarHBondContact O-CA 3.3Å; L196-F199 WeakPolarHBondContact O-CB 3.46Å; L196-F199 PolarHBondContact O-N 3.43Å; L196-G200 PolarHBondContact O-N 3.2Å; L196-Y201 HydrophobicContact CB-CD1 4.48Å; L196-Y201 HydrophobicContact CB-CD2 4.06Å; L196-Y201 HydrophobicContact CB-CG 3.93Å; L196-Y201 HydrophobicContact CD2-CD1 4.29Å; L196-Y201 HydrophobicContact CD2-CD2 4.05Å; L196-Y201 HydrophobicContact CD2-CE1 4.13Å; L196-Y201 HydrophobicContact CD2-CE2 3.86Å; L196-Y201 HydrophobicContact CD2-CG 4.26Å; L196-Y201 WeakPolarHBondContact O-CB 3.43Å; L196-Y201 VanDerWaalsContact O-CD2 3.23Å; L196-Y201 WeakPolarHBondContact O-CD2 3.27Å; L196-Y201 PolarHBondContact O-N 2.8Å; L196-F277 HydrophobicContact CD1-CB 3.94Å; L196-F277 HydrophobicContact CD1-CD1 4.28Å; L196-F277 HydrophobicContact CD1-CD2 3.31Å; L196-F277 HydrophobicContact CD1-CE2 3.83Å; L196-F277 HydrophobicContact CD1-CG 3.57Å; L196-F277 HydrophobicContact CD1-CZ 4.5Å; L196-V382 HydrophobicContact CD1-CG1 4.46Å; L196-L386 HydrophobicContact CD2-CD1 4.4Å; L196-L386 HydrophobicContact CD2-CD2 3.88Å; L196-L386 HydrophobicContact CD2-CG 4.38Å |
| 197 | K | 94.5 | Very high | 96.9 | Very high | 84 Ų | 84 | 31.4 Ų | 31.4 | 37% | 0.365 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.8 | -28.7 | 175.8 | -170.7 | 159.7 | -178 | 161.4 | 0 | 112.9 | W193 E195 F199 G200 D228 | W193-K197 VanDerWaalsContact O-CB 3.31Å; W193-K197 WeakPolarHBondContact O-CB 3.41Å; W193-K197 PolarHBondContact O-N 3.33Å; E195-K197 VanDerWaalsContact C-N 3.29Å; E195-K197 PolarHBondContact O-N 2.78Å; K197-F199 VanDerWaalsContact C-N 3.28Å; K197-F199 PolarHBondContact O-N 2.83Å; K197-G200 PolarHBondContact O-N 2.99Å; K197-G200 VanDerWaalsContact O-N 3.15Å; K197-D228 IonicContact NZ-OD1 3.08Å; K197-D228 PolarHBondContact NZ-OD1 2.88Å |
| 198 | R | 93.6 | Very high | 96.6 | Very high | 173 Ų | 173 | 30 Ų | 30 | 65% | 0.653 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -72.6 | -20.5 | 173.1 | -58.5 | 173.6 | -178.4 | -172.2 | -2.1 | 113.1 | N103 E195 L196 | N103-R198 PolarHBondContact N-O 3.37Å; E195-R198 VanDerWaalsContact O-CB 3.28Å; E195-R198 WeakPolarHBondContact O-CB 3.31Å; E195-R198 PolarHBondContact O-N 2.95Å; L196-R198 PolarHBondContact O-N 2.64Å |
| 199 | F | 93.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 26.7 Ų | 26.7 | 13% | 0.132 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 17.5 | 171 | -69.4 | -96.9 | 0 | 0 | 0 | 111.7 | N103 P104 V105 E195 L196 K197 Y201 L386 | N103-F199 HydrophobicContact CB-CD1 3.74Å; N103-F199 HydrophobicContact CB-CE1 3.71Å; N103-F199 HydrophobicContact CB-CE2 4.46Å; N103-F199 HydrophobicContact CB-CG 4.16Å; N103-F199 HydrophobicContact CB-CZ 4.09Å; N103-F199 VanDerWaalsContact O-CD1 3.27Å; N103-F199 WeakPolarHBondContact O-CD1 3.33Å; P104-F199 WeakPolarHBondContact O-CE1 3.44Å; V105-F199 HydrophobicContact CG1-CD1 3.75Å; V105-F199 HydrophobicContact CG1-CE1 4.31Å; E195-F199 HydrophobicContact CG-CE2 4.33Å; E195-F199 WeakPolarHBondContact O-CD2 3.45Å; L196-F199 CarbonylContact O-C 2.94Å; L196-F199 WeakPolarHBondContact O-CA 3.3Å; L196-F199 WeakPolarHBondContact O-CB 3.46Å; L196-F199 PolarHBondContact O-N 3.43Å; K197-F199 VanDerWaalsContact C-N 3.28Å; K197-F199 PolarHBondContact O-N 2.83Å; F199-Y201 HydrophobicContact CB-CD2 3.93Å; F199-Y201 HydrophobicContact CB-CE2 3.99Å; F199-Y201 PolarHBondContact O-N 3.33Å; F199-L386 HydrophobicContact CB-CD2 4.02Å; F199-L386 HydrophobicContact CD1-CD2 3.87Å; F199-L386 HydrophobicContact CD2-CD1 3.89Å; F199-L386 HydrophobicContact CD2-CD2 3.71Å; F199-L386 HydrophobicContact CD2-CG 4.32Å; F199-L386 HydrophobicContact CE1-CB 4.2Å; F199-L386 HydrophobicContact CE1-CD2 4.23Å; F199-L386 HydrophobicContact CE2-CB 4.37Å; F199-L386 HydrophobicContact CE2-CD1 3.69Å; F199-L386 HydrophobicContact CE2-CD2 4.12Å; F199-L386 HydrophobicContact CE2-CG 4.27Å; F199-L386 HydrophobicContact CG-CD2 3.59Å; F199-L386 HydrophobicContact CZ-CB 4.05Å; F199-L386 HydrophobicContact CZ-CD1 4.21Å; F199-L386 HydrophobicContact CZ-CD2 4.35Å; F199-L386 HydrophobicContact CZ-CG 4.44Å |
| 200 | G | 94.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 12.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N99 L196 K197 Q274 | N99-G200 PolarHBondContact OD1-O 3.41Å; L196-G200 PolarHBondContact O-N 3.2Å; K197-G200 PolarHBondContact O-N 2.99Å; K197-G200 VanDerWaalsContact O-N 3.15Å; G200-Q274 PolarHBondContact O-NE2 3.1Å |
| 201 | Y | 96.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | trans | -67.1 | 135.5 | 179.3 | -77.5 | -112.3 | 0 | 0 | 0 | 112.4 | P111 L112 I114 L196 F199 P275 F277 L386 | P111-Y201 HydrophobicContact CB-CE2 3.66Å; P111-Y201 VanDerWaalsContact CB-OH 3.25Å; P111-Y201 WeakPolarHBondContact CB-OH 3.13Å; P111-Y201 HydrophobicContact CG-CE2 4.42Å; L112-Y201 WeakPolarHBondContact O-CE1 3.42Å; L112-Y201 VanDerWaalsContact O-CZ 3.3Å; L112-Y201 PolarHBondContact O-OH 2.76Å; I114-Y201 HydrophobicContact CD1-CE1 3.96Å; L196-Y201 HydrophobicContact CB-CD1 4.48Å; L196-Y201 HydrophobicContact CB-CD2 4.06Å; L196-Y201 HydrophobicContact CB-CG 3.93Å; L196-Y201 HydrophobicContact CD2-CD1 4.29Å; L196-Y201 HydrophobicContact CD2-CD2 4.05Å; L196-Y201 HydrophobicContact CD2-CE1 4.13Å; L196-Y201 HydrophobicContact CD2-CE2 3.86Å; L196-Y201 HydrophobicContact CD2-CG 4.26Å; L196-Y201 WeakPolarHBondContact O-CB 3.43Å; L196-Y201 VanDerWaalsContact O-CD2 3.23Å; L196-Y201 WeakPolarHBondContact O-CD2 3.27Å; L196-Y201 PolarHBondContact O-N 2.8Å; F199-Y201 HydrophobicContact CB-CD2 3.93Å; F199-Y201 HydrophobicContact CB-CE2 3.99Å; F199-Y201 PolarHBondContact O-N 3.33Å; Y201-P275 WeakPolarHBondContact CA-O 3.19Å; Y201-P275 HydrophobicContact CD1-CB 3.86Å; Y201-P275 HydrophobicContact CD2-CB 4.03Å; Y201-P275 HydrophobicContact CD2-CG 4.04Å; Y201-P275 HydrophobicContact CE1-CB 3.8Å; Y201-P275 HydrophobicContact CE2-CB 3.99Å; Y201-P275 HydrophobicContact CE2-CG 4.3Å; Y201-P275 HydrophobicContact CG-CB 3.97Å; Y201-P275 HydrophobicContact CG-CG 4.19Å; Y201-F277 HydrophobicContact CD1-CB 3.94Å; Y201-L386 HydrophobicContact CE2-CD2 4.25Å | ||
| 202 | A | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 134.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | F266 Y270 Q274 P275 K276 F277 | A202-F266 HydrophobicContact CB-CE2 3.92Å; A202-F266 HydrophobicContact CB-CZ 3.86Å; A202-Y270 HydrophobicContact CB-CD1 4.35Å; A202-Y270 HydrophobicContact CB-CD2 4.45Å; A202-Y270 HydrophobicContact CB-CE1 4.09Å; A202-Y270 HydrophobicContact CB-CE2 4.23Å; A202-Q274 HydrophobicContact CB-CG 4.19Å; A202-P275 PolarHBondContact N-O 2.73Å; A202-K276 WeakPolarHBondContact O-CA 3.33Å; A202-F277 PolarHBondContact O-N 3.39Å |
| 203 | T | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136 | -169.8 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | W193 T227 D228 H229 F277 | W193-T203 HydrophobicContact CB-CG2 4.06Å; T203-T227 WeakPolarHBondContact OG1-CA 3.47Å; T203-D228 PolarHBondContact N-OD2 2.9Å; T203-D228 WeakPolarHBondContact O-CA 3.3Å; T203-D228 WeakPolarHBondContact O-CB 3.45Å; T203-D228 PolarHBondContact O-N 3.4Å; T203-D228 PolarHBondContact OG1-N 2.78Å; T203-D228 PolarHBondContact OG1-OD2 3.35Å; T203-H229 PolarHBondContact O-N 2.77Å; T203-F277 CarbonylContact C-O 3.58Å; T203-F277 WeakPolarHBondContact CA-O 3.32Å; T203-F277 HydrophobicContact CG2-CB 4.38Å; T203-F277 HydrophobicContact CG2-CD1 4.47Å |
| 204 | L | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 133 | 178.3 | -178.2 | 156.1 | 0 | 0 | 0 | 110.4 | I92 A206 H229 Y262 V263 F266 F277 A278 F279 | I92-L204 HydrophobicContact CD1-CD1 4.12Å; L204-A206 HydrophobicContact CD2-CB 3.87Å; L204-H229 CarbonylContact C-O 3.14Å; L204-H229 VanDerWaalsContact CA-O 3.26Å; L204-H229 WeakPolarHBondContact CA-O 3.29Å; L204-H229 HydrophobicContact CB-CB 4Å; L204-H229 HydrophobicContact CD1-CB 3.97Å; L204-H229 HydrophobicContact CG-CB 3.88Å; L204-Y262 HydrophobicContact CD1-CD1 3.79Å; L204-Y262 HydrophobicContact CD1-CE1 3.59Å; L204-Y262 HydrophobicContact CD2-CD1 4.42Å; L204-Y262 HydrophobicContact CD2-CE1 4.38Å; L204-Y262 HydrophobicContact CG-CD1 4.37Å; L204-Y262 HydrophobicContact CG-CE1 3.96Å; L204-V263 HydrophobicContact CD1-CG2 4.47Å; L204-V263 HydrophobicContact CD2-CG2 3.97Å; L204-F266 HydrophobicContact CB-CD1 4.13Å; L204-F266 HydrophobicContact CB-CE1 3.96Å; L204-F266 HydrophobicContact CB-CE2 4.41Å; L204-F266 HydrophobicContact CB-CG 4.41Å; L204-F266 HydrophobicContact CB-CZ 4.13Å; L204-F266 HydrophobicContact CD1-CB 3.63Å; L204-F266 HydrophobicContact CD1-CD1 3.86Å; L204-F266 HydrophobicContact CD1-CD2 4.05Å; L204-F266 HydrophobicContact CD1-CG 3.59Å; L204-F277 PolarHBondContact N-O 3.41Å; L204-A278 HydrophobicContact CB-CB 4.4Å; L204-A278 HydrophobicContact CD2-CB 4.33Å; L204-F279 PolarHBondContact O-N 3.1Å |
| 205 | S | 98.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 8% | 0.077 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.8 | 169.8 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | T227 H229 Y230 L231 F279 | S205-T227 WeakPolarHBondContact CB-OG1 3.33Å; S205-T227 PolarHBondContact N-OG1 2.77Å; S205-H229 PolarHBondContact N-O 3.47Å; S205-Y230 WeakPolarHBondContact O-CA 3.3Å; S205-L231 PolarHBondContact O-N 3.5Å; S205-F279 CarbonylContact C-O 3.59Å; S205-F279 WeakPolarHBondContact CA-O 3.37Å |
| 206 | A | 98.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 126 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L204 L231 H259 F279 Q280 I281 | L204-A206 HydrophobicContact CD2-CB 3.87Å; A206-L231 HydrophobicContact CB-CB 3.62Å; A206-L231 HydrophobicContact CB-CD2 3.82Å; A206-L231 HydrophobicContact CB-CG 4.39Å; A206-H259 WeakPolarHBondContact CB-NE2 3.4Å; A206-F279 PolarHBondContact N-O 2.82Å; A206-Q280 HydrophobicContact CB-CB 4.48Å; A206-Q280 HydrophobicContact CB-CG 4.39Å; A206-Q280 WeakPolarHBondContact O-CA 3.4Å; A206-I281 PolarHBondContact O-N 2.97Å |
| 207 | E | 95.9 | Very high | 94.1 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 7% | 0.065 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 136 | 179.4 | -179.4 | 179.5 | -149.1 | 0 | 0 | 107.6 | T214 I281 V283 | E207-T214 PolarHBondContact OE1-N 2.85Å; E207-T214 PolarHBondContact OE1-OG1 3.19Å; E207-T214 PolarHBondContact OE2-N 2.9Å; E207-I281 HydrophobicContact CB-CG2 3.94Å; E207-I281 HydrophobicContact CG-CG2 3.97Å; E207-V283 HydrophobicContact CG-CG2 4.12Å |
| 208 | D | 93.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.053 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -103.6 | -8.7 | -164.4 | 54.4 | 9.4 | 0 | 0 | 0 | 117.6 | P210 Y235 H259 H282 V283 G284 | D208-P210 VanDerWaalsContact O-CD 3.31Å; D208-P210 WeakPolarHBondContact O-CD 3.04Å; D208-Y235 VanDerWaalsContact CA-CD2 3.45Å; D208-Y235 VanDerWaalsContact CA-CE2 3.48Å; D208-Y235 HydrophobicContact CB-CD2 3.95Å; D208-Y235 HydrophobicContact CB-CE1 4.24Å; D208-Y235 HydrophobicContact CB-CE2 3.47Å; D208-Y235 VanDerWaalsContact CB-CE2 3.47Å; D208-Y235 HydrophobicContact CB-CG 4.45Å; D208-H259 WeakPolarHBondContact CB-ND1 3.28Å; D208-H259 IonicContact OD2-CE1 3.65Å; D208-H259 IonicContact OD2-ND1 3.76Å; D208-H259 PolarHBondContact OD2-ND1 3.31Å; D208-H282 IonicContact OD2-ND1 2.74Å; D208-V283 WeakPolarHBondContact OD1-CB 3.36Å; D208-V283 PolarHBondContact OD1-N 2.85Å; D208-G284 PolarHBondContact OD1-N 3.38Å |
| 209 | V | 93.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | trans | -118.1 | 88.6 | -179.5 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | S211 I212 G213 Y245 V283 | V209-S211 VanDerWaalsContact C-N 3.29Å; V209-S211 PolarHBondContact O-N 2.91Å; V209-S211 VanDerWaalsContact O-N 3.17Å; V209-I212 HydrophobicContact CB-CD1 4.36Å; V209-I212 HydrophobicContact CB-CG1 3.97Å; V209-I212 HydrophobicContact CG1-CD1 3.95Å; V209-I212 HydrophobicContact CG1-CG1 3.51Å; V209-I212 PolarHBondContact O-N 3.39Å; V209-G213 PolarHBondContact O-N 2.93Å; V209-Y245 HydrophobicContact CG1-CE2 3.71Å; V209-V283 HydrophobicContact CB-CB 4.2Å; V209-V283 HydrophobicContact CB-CG1 4.07Å; V209-V283 HydrophobicContact CG2-CB 3.77Å; V209-V283 HydrophobicContact CG2-CG1 3.87Å | ||
| 210 | P | 92.7 | Very high | 93.8 | Very high | 6 Ų | 6 | 18 Ų | 18 | 4% | 0.039 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -62.8 | -28.7 | -169.4 | -27.4 | 33.8 | 0 | 0 | 0 | 116.6 | D208 I212 G213 R232 Y235 L236 D239 | D208-P210 VanDerWaalsContact O-CD 3.31Å; D208-P210 WeakPolarHBondContact O-CD 3.04Å; P210-I212 VanDerWaalsContact C-N 3.3Å; P210-I212 PolarHBondContact O-N 3.38Å; P210-G213 PolarHBondContact O-N 3.19Å; P210-R232 PolarHBondContact O-NH1 2.98Å; P210-R232 PolarHBondContact O-NH2 3.36Å; P210-Y235 VanDerWaalsContact CG-CB 3.41Å; P210-L236 HydrophobicContact CB-CD2 3.55Å; P210-L236 HydrophobicContact CB-CG 3.91Å; P210-L236 HydrophobicContact CG-CD2 4.28Å; P210-L236 HydrophobicContact CG-CG 4.22Å; P210-D239 WeakPolarHBondContact CD-OD2 3.14Å |
| 211 | S | 88.2 | Confident | 93.9 | Very high | 62 Ų | 62 | 17.8 Ų | 17.8 | 43% | 0.434 | 9% | 0.089 | S | C | . | . | G | 310 helix | trans | -71.5 | -22.6 | -176.1 | 57.8 | 0 | 0 | 0 | 0 | 114 | V209 Y245 | V209-S211 VanDerWaalsContact C-N 3.29Å; V209-S211 PolarHBondContact O-N 2.91Å; V209-S211 VanDerWaalsContact O-N 3.17Å; S211-Y245 WeakPolarHBondContact OG-CD2 3.36Å; S211-Y245 WeakPolarHBondContact OG-CE2 3.4Å |
| 212 | I | 88.2 | Confident | 93.9 | Very high | 46 Ų | 46 | 17.9 Ų | 17.9 | 24% | 0.236 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -120.6 | 24.1 | 176.1 | 54.6 | 167.9 | 0 | 0 | 0 | 111.4 | V209 P210 Y217 V283 | V209-I212 HydrophobicContact CB-CD1 4.36Å; V209-I212 HydrophobicContact CB-CG1 3.97Å; V209-I212 HydrophobicContact CG1-CD1 3.95Å; V209-I212 HydrophobicContact CG1-CG1 3.51Å; V209-I212 PolarHBondContact O-N 3.39Å; P210-I212 VanDerWaalsContact C-N 3.3Å; P210-I212 PolarHBondContact O-N 3.38Å; I212-Y217 HydrophobicContact CG2-CD2 4.38Å; I212-Y217 HydrophobicContact CG2-CE2 4.4Å; I212-V283 HydrophobicContact CD1-CG1 3.82Å |
| 213 | G | 92.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -57.4 | 140.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V209 P210 Y215 T216 Y217 | V209-G213 PolarHBondContact O-N 2.93Å; P210-G213 PolarHBondContact O-N 3.19Å; G213-Y215 VanDerWaalsContact C-N 3.26Å; G213-Y215 PolarHBondContact O-N 2.94Å; G213-Y215 VanDerWaalsContact O-N 3.12Å; G213-T216 PolarHBondContact O-N 3.35Å; G213-T216 VanDerWaalsContact O-N 3.09Å; G213-T216 PolarHBondContact O-OG1 3.31Å; G213-Y217 WeakPolarHBondContact O-CB 3.36Å; G213-Y217 PolarHBondContact O-N 3.24Å | ||
| 214 | T | 93 | Very high | 93.8 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 9% | 0.086 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -45.2 | -172.1 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | T157 L161 E207 | T157-T214 HydrophobicContact CG2-CG2 4.18Å; T157-T214 WeakPolarHBondContact CG2-OG1 3.48Å; L161-T214 HydrophobicContact CB-CG2 4.43Å; L161-T214 HydrophobicContact CD1-CG2 4.06Å; E207-T214 PolarHBondContact OE1-N 2.85Å; E207-T214 PolarHBondContact OE1-OG1 3.19Å; E207-T214 PolarHBondContact OE2-N 2.9Å |
| 215 | Y | 94.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -4.6 | -174.1 | -53.3 | -73.4 | 0 | 0 | 0 | 114.7 | L162 L165 V186 F191 G213 W219 G221 F222 | L162-Y215 HydrophobicContact CD2-CE1 3.99Å; L165-Y215 WeakPolarHBondContact CD1-OH 3.43Å; V186-Y215 HydrophobicContact CG1-CD1 3.89Å; V186-Y215 HydrophobicContact CG1-CG 4.35Å; F191-Y215 AromaticContact CE1-CE1 3.81Å; F191-Y215 HydrophobicContact CE1-CE1 3.81Å; F191-Y215 HydrophobicContact CZ-CD1 4.17Å; F191-Y215 AromaticContact CZ-CE1 3.81Å; F191-Y215 HydrophobicContact CZ-CE1 3.81Å; G213-Y215 VanDerWaalsContact C-N 3.26Å; G213-Y215 PolarHBondContact O-N 2.94Å; G213-Y215 VanDerWaalsContact O-N 3.12Å; Y215-W219 AromaticContact CD1-CE3 3.79Å; Y215-W219 HydrophobicContact CD1-CE3 3.79Å; Y215-W219 AromaticContact CD1-CZ3 3.48Å; Y215-W219 HydrophobicContact CD1-CZ3 3.48Å; Y215-W219 VanDerWaalsContact CD1-CZ3 3.48Å; Y215-W219 AromaticContact CE1-CZ3 3.97Å; Y215-W219 HydrophobicContact CE1-CZ3 3.97Å; Y215-W219 HydrophobicContact CG-CZ3 4.44Å; Y215-W219 CarbonylContact O-C 3.6Å; Y215-W219 WeakPolarHBondContact O-CB 3.17Å; Y215-G221 VanDerWaalsContact O-CA 3.25Å; Y215-G221 WeakPolarHBondContact O-CA 3.39Å; Y215-G221 PolarHBondContact O-N 3.36Å; Y215-G221 VanDerWaalsContact O-N 3.14Å; Y215-F222 AromaticContact CD2-CE2 3.66Å; Y215-F222 HydrophobicContact CD2-CE2 3.66Å; Y215-F222 HydrophobicContact CD2-CZ 4.21Å; Y215-F222 HydrophobicContact CE2-CE2 4.36Å; Y215-F222 AromaticContact CG-CE2 3.78Å; Y215-F222 HydrophobicContact CG-CE2 3.78Å; Y215-F222 HydrophobicContact CG-CZ 4.19Å |
| 216 | T | 93.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -14.7 | -170.1 | 56.8 | 0 | 0 | 0 | 0 | 113 | D51 F52 K178 G213 R232 | D51-T216 HydrophobicContact CB-CG2 3.78Å; D51-T216 WeakPolarHBondContact OD2-CG2 3.36Å; F52-T216 HydrophobicContact CE1-CG2 4.27Å; F52-T216 HydrophobicContact CZ-CG2 4.32Å; K178-T216 WeakPolarHBondContact CE-O 3.32Å; K178-T216 PolarHBondContact NZ-O 2.88Å; G213-T216 PolarHBondContact O-N 3.35Å; G213-T216 VanDerWaalsContact O-N 3.09Å; G213-T216 PolarHBondContact O-OG1 3.31Å; T216-R232 PolarHBondContact OG1-NH2 3.14Å |
| 217 | Y | 89.7 | Confident | 93.7 | Very high | 76 Ų | 76 | 32.5 Ų | 32.5 | 30% | 0.298 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -68.5 | -58.1 | 177.2 | -176.7 | -110.8 | 0 | 0 | 0 | 111.5 | I212 G213 M554 | I212-Y217 HydrophobicContact CG2-CD2 4.38Å; I212-Y217 HydrophobicContact CG2-CE2 4.4Å; G213-Y217 WeakPolarHBondContact O-CB 3.36Å; G213-Y217 PolarHBondContact O-N 3.24Å; Y217-M554 HydrophobicContact CE2-CE 3.64Å; Y217-M554 WeakPolarHBondContact OH-CE 3.47Å |
| 218 | R | 88.9 | Confident | 93.7 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 21% | 0.208 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -96.6 | -29 | 179.4 | -80.3 | 168.8 | 51.4 | 140.7 | -3.6 | 114.4 | E170 R177 K178 S558 | E170-R218 IonicContact OE1-CZ 3.2Å; E170-R218 IonicContact OE1-NH2 3.06Å; E170-R218 PolarHBondContact OE1-NH2 3.35Å; E170-R218 IonicContact OE2-CZ 2.97Å; E170-R218 IonicContact OE2-NH2 3.14Å; E170-R218 PolarHBondContact OE2-NH2 3.06Å; R177-R218 WeakPolarHBondContact CA-O 3.46Å; K178-R218 PolarHBondContact N-O 2.98Å; R218-S558 WeakPolarHBondContact CG-OG 3.48Å |
| 219 | W | 91.8 | Very high | 94 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -105.4 | 166 | -173 | -53.4 | -44 | 0 | 0 | 0 | 112.2 | S158 L162 E170 T176 K178 V186 Y215 G221 | S158-W219 VanDerWaalsContact CB-CH2 3.5Å; L162-W219 HydrophobicContact CD1-CH2 3.27Å; L162-W219 HydrophobicContact CD1-CZ2 3.7Å; L162-W219 HydrophobicContact CD1-CZ3 4.17Å; L162-W219 HydrophobicContact CD2-CH2 4.08Å; L162-W219 HydrophobicContact CD2-CZ3 4.17Å; L162-W219 HydrophobicContact CG-CH2 3.7Å; L162-W219 HydrophobicContact CG-CZ3 4.25Å; E170-W219 HydrophobicContact CB-CZ2 4.49Å; E170-W219 HydrophobicContact CG-CZ2 3.92Å; E170-W219 PolarHBondContact OE1-NE1 3.33Å; T176-W219 CarbonylContact O-C 3.55Å; T176-W219 WeakPolarHBondContact O-CA 3.35Å; T176-W219 VanDerWaalsContact O-CB 3.32Å; T176-W219 WeakPolarHBondContact O-CB 3.18Å; T176-W219 VanDerWaalsContact OG1-CG 3.31Å; K178-W219 WeakPolarHBondContact CE-O 3.07Å; K178-W219 WeakPolarHBondContact CG-O 3.3Å; V186-W219 HydrophobicContact CG2-CB 3.71Å; V186-W219 HydrophobicContact CG2-CE3 4.19Å; V186-W219 HydrophobicContact CG2-CG 4.38Å; Y215-W219 AromaticContact CD1-CE3 3.79Å; Y215-W219 HydrophobicContact CD1-CE3 3.79Å; Y215-W219 AromaticContact CD1-CZ3 3.48Å; Y215-W219 HydrophobicContact CD1-CZ3 3.48Å; Y215-W219 VanDerWaalsContact CD1-CZ3 3.48Å; Y215-W219 AromaticContact CE1-CZ3 3.97Å; Y215-W219 HydrophobicContact CE1-CZ3 3.97Å; Y215-W219 HydrophobicContact CG-CZ3 4.44Å; Y215-W219 CarbonylContact O-C 3.6Å; Y215-W219 WeakPolarHBondContact O-CB 3.17Å; W219-G221 PolarHBondContact O-N 3.41Å |
| 220 | K | 93.8 | Very high | 94.2 | Very high | 53 Ų | 53 | 32.6 Ų | 32.6 | 23% | 0.23 | 16% | 0.157 | C | C | . | . | trans | -64 | -2.7 | 180 | -72.1 | -172.6 | 174.1 | 178.9 | 0 | 114.3 | F52 T176 K178 A183 F185 | F52-K220 VanDerWaalsContact CE2-O 3.31Å; F52-K220 WeakPolarHBondContact CE2-O 3.08Å; T176-K220 PolarHBondContact O-N 2.94Å; K178-K220 HydrophobicContact CG-CG 4.38Å; A183-K220 HydrophobicContact CB-CD 4.23Å; A183-K220 PolarHBondContact O-NZ 3.01Å; F185-K220 HydrophobicContact CD1-CB 3.94Å; F185-K220 WeakPolarHBondContact CD1-O 3.38Å; F185-K220 HydrophobicContact CE1-CB 4.3Å; F185-K220 HydrophobicContact CG-CB 4.41Å | ||
| 221 | G | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | 68.6 | -170.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.5 | D51 V186 Y215 W219 | D51-G221 WeakPolarHBondContact OD2-CA 3.38Å; V186-G221 WeakPolarHBondContact CB-O 3.42Å; V186-G221 PolarHBondContact N-O 3.04Å; Y215-G221 VanDerWaalsContact O-CA 3.25Å; Y215-G221 WeakPolarHBondContact O-CA 3.39Å; Y215-G221 PolarHBondContact O-N 3.36Å; Y215-G221 VanDerWaalsContact O-N 3.14Å; W219-G221 PolarHBondContact O-N 3.41Å | ||
| 222 | F | 97.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.022 | 14% | 0.136 | C | C | . | . | trans | -84.8 | 134.4 | 171.7 | -64.9 | -77.9 | 0 | 0 | 0 | 111.4 | D51 V186 D187 F191 W193 Y215 E224 P226 | D51-F222 WeakPolarHBondContact CB-O 3.25Å; D51-F222 VanDerWaalsContact CG-N 3.32Å; D51-F222 VanDerWaalsContact OD2-CD2 3.3Å; D51-F222 WeakPolarHBondContact OD2-CD2 3.4Å; D51-F222 PolarHBondContact OD2-N 3.44Å; V186-F222 HydrophobicContact CB-CD1 4.31Å; V186-F222 HydrophobicContact CB-CE1 4.23Å; V186-F222 HydrophobicContact CG1-CD1 4.32Å; V186-F222 HydrophobicContact CG1-CE1 3.75Å; V186-F222 HydrophobicContact CG1-CE2 4.39Å; V186-F222 HydrophobicContact CG1-CZ 3.77Å; D187-F222 WeakPolarHBondContact OD2-CA 3.21Å; F191-F222 HydrophobicContact CD2-CE1 4.11Å; F191-F222 HydrophobicContact CD2-CZ 4.41Å; F191-F222 AromaticContact CE2-CE1 3.41Å; F191-F222 HydrophobicContact CE2-CE1 3.41Å; F191-F222 VanDerWaalsContact CE2-CE1 3.41Å; F191-F222 AromaticContact CE2-CZ 3.59Å; F191-F222 HydrophobicContact CE2-CZ 3.59Å; F191-F222 HydrophobicContact CZ-CE1 4.04Å; F191-F222 AromaticContact CZ-CZ 3.73Å; F191-F222 HydrophobicContact CZ-CZ 3.73Å; W193-F222 HydrophobicContact CH2-CZ 4.33Å; W193-F222 HydrophobicContact CZ2-CE1 4.24Å; W193-F222 AromaticContact CZ2-CZ 3.92Å; W193-F222 HydrophobicContact CZ2-CZ 3.92Å; Y215-F222 AromaticContact CD2-CE2 3.66Å; Y215-F222 HydrophobicContact CD2-CE2 3.66Å; Y215-F222 HydrophobicContact CD2-CZ 4.21Å; Y215-F222 HydrophobicContact CE2-CE2 4.36Å; Y215-F222 AromaticContact CG-CE2 3.78Å; Y215-F222 HydrophobicContact CG-CE2 3.78Å; Y215-F222 HydrophobicContact CG-CZ 4.19Å; F222-E224 WeakPolarHBondContact CB-O 3.46Å; F222-P226 HydrophobicContact CD1-CB 3.72Å; F222-P226 HydrophobicContact CD1-CG 4.27Å; F222-P226 HydrophobicContact CD2-CB 4.12Å; F222-P226 HydrophobicContact CD2-CG 3.81Å; F222-P226 HydrophobicContact CE1-CB 3.62Å; F222-P226 HydrophobicContact CE1-CG 4.37Å; F222-P226 HydrophobicContact CE2-CB 4.04Å; F222-P226 HydrophobicContact CE2-CG 3.94Å; F222-P226 HydrophobicContact CG-CB 3.97Å; F222-P226 HydrophobicContact CG-CG 3.99Å; F222-P226 HydrophobicContact CZ-CB 3.8Å; F222-P226 HydrophobicContact CZ-CG 4.23Å | ||
| 223 | K | 96.6 | Very high | 95.1 | Very high | 119 Ų | 119 | 27.6 Ų | 27.6 | 52% | 0.517 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -80.1 | -43.6 | 169 | -175.5 | 176.9 | 175.7 | -175.8 | 0 | 110.9 | F48 F185 D187 | F48-K223 WeakPolarHBondContact CE1-O 3.19Å; F185-K223 HydrophobicContact CB-CB 4.01Å; F185-K223 HydrophobicContact CD1-CB 3.8Å; F185-K223 HydrophobicContact CD2-CB 3.98Å; F185-K223 HydrophobicContact CD2-CD 4.1Å; F185-K223 HydrophobicContact CD2-CG 4.47Å; F185-K223 HydrophobicContact CE1-CB 4.21Å; F185-K223 HydrophobicContact CE2-CB 4.38Å; F185-K223 HydrophobicContact CE2-CD 4.09Å; F185-K223 HydrophobicContact CE2-CG 4.48Å; F185-K223 HydrophobicContact CG-CB 3.68Å; F185-K223 HydrophobicContact CZ-CB 4.48Å; D187-K223 PolarHBondContact OD1-N 3Å; D187-K223 PolarHBondContact OD2-N 2.78Å |
| 224 | E | 96.9 | Very high | 95.3 | Very high | 121 Ų | 121 | 27.6 Ų | 27.6 | 57% | 0.565 | 12% | 0.124 | S | C | * | . | S | Bend | trans | -107.6 | 151.7 | 176.5 | -57.1 | -60.7 | 151.4 | 0 | 0 | 110.4 | D187 F222 P226 | D187-E224 PolarHBondContact OD1-N 3.25Å; F222-E224 WeakPolarHBondContact CB-O 3.46Å; E224-P226 WeakPolarHBondContact O-CD 2.98Å; E224-P226 VanDerWaalsContact O-N 3.15Å |
| 225 | Q | 96.8 | Very high | 95.5 | Very high | 57 Ų | 57 | 27 Ų | 27 | 27% | 0.266 | 12% | 0.121 | S | C | . | . | trans | -58.5 | 122.4 | 179.1 | -167.7 | 179.7 | -80.3 | 0 | 0 | 110.7 | F48 T227 D228 Y230 | F48-Q225 HydrophobicContact CB-CB 4.46Å; F48-Q225 HydrophobicContact CD1-CB 4.05Å; F48-Q225 HydrophobicContact CD2-CB 4.4Å; F48-Q225 HydrophobicContact CD2-CG 4.44Å; F48-Q225 HydrophobicContact CE1-CB 4.37Å; F48-Q225 HydrophobicContact CG-CB 4.05Å; F48-Q225 HydrophobicContact CG-CG 4.35Å; Q225-T227 WeakPolarHBondContact CG-O 3.49Å; Q225-T227 PolarHBondContact NE2-O 3.48Å; Q225-T227 PolarHBondContact O-N 3.27Å; Q225-D228 PolarHBondContact NE2-O 3.29Å; Q225-Y230 HydrophobicContact CG-CD1 4.12Å; Q225-Y230 HydrophobicContact CG-CG 4.29Å | ||
| 226 | P | 97.2 | Very high | 95.6 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 13% | 0.13 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -73.9 | -25 | -166.5 | 25.4 | -35 | 0 | 0 | 0 | 114.9 | W193 F222 E224 Y230 | W193-P226 HydrophobicContact CZ2-CB 4.1Å; W193-P226 PolarHBondContact NE1-O 3.08Å; F222-P226 HydrophobicContact CD1-CB 3.72Å; F222-P226 HydrophobicContact CD1-CG 4.27Å; F222-P226 HydrophobicContact CD2-CB 4.12Å; F222-P226 HydrophobicContact CD2-CG 3.81Å; F222-P226 HydrophobicContact CE1-CB 3.62Å; F222-P226 HydrophobicContact CE1-CG 4.37Å; F222-P226 HydrophobicContact CE2-CB 4.04Å; F222-P226 HydrophobicContact CE2-CG 3.94Å; F222-P226 HydrophobicContact CG-CB 3.97Å; F222-P226 HydrophobicContact CG-CG 3.99Å; F222-P226 HydrophobicContact CZ-CB 3.8Å; F222-P226 HydrophobicContact CZ-CG 4.23Å; E224-P226 WeakPolarHBondContact O-CD 2.98Å; E224-P226 VanDerWaalsContact O-N 3.15Å; P226-Y230 HydrophobicContact CG-CD1 4.33Å; P226-Y230 HydrophobicContact CG-CD2 3.93Å; P226-Y230 HydrophobicContact CG-CE1 4.24Å; P226-Y230 HydrophobicContact CG-CE2 3.86Å; P226-Y230 HydrophobicContact CG-CG 4.15Å |
| 227 | T | 97.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -138.5 | 168.1 | -176.2 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | W193 T203 S205 Q225 H229 | W193-T227 HydrophobicContact CB-CG2 4.31Å; W193-T227 HydrophobicContact CD2-CG2 4.09Å; W193-T227 HydrophobicContact CG-CG2 3.94Å; T203-T227 WeakPolarHBondContact OG1-CA 3.47Å; S205-T227 WeakPolarHBondContact CB-OG1 3.33Å; S205-T227 PolarHBondContact N-OG1 2.77Å; Q225-T227 WeakPolarHBondContact CG-O 3.49Å; Q225-T227 PolarHBondContact NE2-O 3.48Å; Q225-T227 PolarHBondContact O-N 3.27Å; T227-H229 VanDerWaalsContact C-N 3.27Å; T227-H229 PolarHBondContact O-N 2.89Å; T227-H229 PolarHBondContact OG1-O 3.29Å; T227-H229 VanDerWaalsContact OG1-O 3.05Å |
| 228 | D | 96.9 | Very high | 96 | Very high | 23 Ų | 23 | 24.5 Ų | 24.5 | 12% | 0.123 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -63.1 | -37.1 | 179.1 | -55.1 | -56.7 | 0 | 0 | 0 | 111.2 | K95 K197 T203 Q225 | K95-D228 HydrophobicContact CD-CB 4.24Å; K95-D228 WeakPolarHBondContact CE-O 3.45Å; K95-D228 PolarHBondContact NZ-O 3.07Å; K197-D228 IonicContact NZ-OD1 3.08Å; K197-D228 PolarHBondContact NZ-OD1 2.88Å; T203-D228 PolarHBondContact N-OD2 2.9Å; T203-D228 WeakPolarHBondContact O-CA 3.3Å; T203-D228 WeakPolarHBondContact O-CB 3.45Å; T203-D228 PolarHBondContact O-N 3.4Å; T203-D228 PolarHBondContact OG1-N 2.78Å; T203-D228 PolarHBondContact OG1-OD2 3.35Å; Q225-D228 PolarHBondContact NE2-O 3.29Å |
| 229 | H | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117 | 179.4 | -63.1 | -70.1 | 0 | 0 | 0 | 110.5 | D71 I92 V93 T203 L204 S205 T227 Y262 F266 Y270 | D71-H229 IonicContact OD1-CE1 2.87Å; D71-H229 IonicContact OD1-ND1 2.63Å; D71-H229 IonicContact OD2-CE1 2.66Å; D71-H229 IonicContact OD2-CG 3.24Å; D71-H229 IonicContact OD2-ND1 3.27Å; D71-H229 PolarHBondContact OD2-ND1 2.86Å; I92-H229 HydrophobicContact CD1-CB 4.04Å; V93-H229 PolarHBondContact O-CE1 2.88Å; T203-H229 PolarHBondContact O-N 2.77Å; L204-H229 CarbonylContact C-O 3.14Å; L204-H229 VanDerWaalsContact CA-O 3.26Å; L204-H229 WeakPolarHBondContact CA-O 3.29Å; L204-H229 HydrophobicContact CB-CB 4Å; L204-H229 HydrophobicContact CD1-CB 3.97Å; L204-H229 HydrophobicContact CG-CB 3.88Å; S205-H229 PolarHBondContact N-O 3.47Å; T227-H229 VanDerWaalsContact C-N 3.27Å; T227-H229 PolarHBondContact O-N 2.89Å; T227-H229 PolarHBondContact OG1-O 3.29Å; T227-H229 VanDerWaalsContact OG1-O 3.05Å; H229-Y262 HydrophobicContact CB-CE1 4.37Å; H229-Y262 WeakPolarHBondContact CB-OH 3.33Å; H229-F266 AromaticContact CD2-CD2 3.73Å; H229-F266 AromaticContact CD2-CE2 3.55Å; H229-Y270 AromaticContact NE2-CE2 3.31Å; H229-Y270 VanDerWaalsContact NE2-CE2 3.31Å; H229-Y270 WeakPolarHBondContact NE2-CE2 3.36Å; H229-Y270 AromaticContact NE2-CZ 3.47Å; H229-Y270 PolarHBondContact NE2-OH 3.22Å |
| 230 | Y | 97.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 100.4 | -171.9 | -174.8 | -135 | 0 | 0 | 0 | 111.9 | F48 D51 F72 S205 Q225 P226 R232 | F48-Y230 HydrophobicContact CD2-CD1 4.01Å; F48-Y230 HydrophobicContact CD2-CE1 4.15Å; F48-Y230 HydrophobicContact CE2-CD1 4.27Å; F48-Y230 HydrophobicContact CE2-CE1 4.02Å; D51-Y230 WeakPolarHBondContact OD1-CE1 3.21Å; D51-Y230 PolarHBondContact OD1-OH 3.11Å; F72-Y230 WeakPolarHBondContact CE2-O 3.31Å; F72-Y230 WeakPolarHBondContact CZ-O 3.38Å; S205-Y230 WeakPolarHBondContact O-CA 3.3Å; Q225-Y230 HydrophobicContact CG-CD1 4.12Å; Q225-Y230 HydrophobicContact CG-CG 4.29Å; P226-Y230 HydrophobicContact CG-CD1 4.33Å; P226-Y230 HydrophobicContact CG-CD2 3.93Å; P226-Y230 HydrophobicContact CG-CE1 4.24Å; P226-Y230 HydrophobicContact CG-CE2 3.86Å; P226-Y230 HydrophobicContact CG-CG 4.15Å; Y230-R232 VanDerWaalsContact C-N 3.27Å; Y230-R232 HydrophobicContact CD1-CB 4.2Å; Y230-R232 HydrophobicContact CD2-CB 4.26Å; Y230-R232 HydrophobicContact CE1-CB 3.73Å; Y230-R232 HydrophobicContact CE1-CG 4.34Å; Y230-R232 HydrophobicContact CE2-CB 3.79Å; Y230-R232 HydrophobicContact CG-CB 4.47Å; Y230-R232 PolarHBondContact O-N 2.88Å; Y230-R232 WeakPolarHBondContact OH-CD 3.46Å |
| 231 | L | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19.3 | -168.6 | -168.2 | 61.5 | 0 | 0 | 0 | 113.8 | F72 A90 S205 A206 N233 F234 Y235 H259 Y262 | F72-L231 HydrophobicContact CD1-CD1 4.46Å; F72-L231 HydrophobicContact CE1-CD1 3.6Å; F72-L231 HydrophobicContact CZ-CD1 4.14Å; A90-L231 HydrophobicContact CB-CD1 4.13Å; S205-L231 PolarHBondContact O-N 3.5Å; A206-L231 HydrophobicContact CB-CB 3.62Å; A206-L231 HydrophobicContact CB-CD2 3.82Å; A206-L231 HydrophobicContact CB-CG 4.39Å; L231-N233 PolarHBondContact O-N 3.08Å; L231-F234 HydrophobicContact CD1-CB 3.75Å; L231-F234 HydrophobicContact CD1-CD1 4.3Å; L231-F234 HydrophobicContact CD1-CG 4.15Å; L231-F234 HydrophobicContact CG-CB 4.35Å; L231-F234 WeakPolarHBondContact O-CB 3.33Å; L231-F234 PolarHBondContact O-N 3.23Å; L231-Y235 HydrophobicContact CD2-CD2 4.47Å; L231-Y235 HydrophobicContact CD2-CE2 3.57Å; L231-Y235 HydrophobicContact CG-CD2 4.15Å; L231-Y235 HydrophobicContact CG-CE2 3.68Å; L231-H259 WeakPolarHBondContact CD2-CD2 3.22Å; L231-Y262 HydrophobicContact CB-CD1 4.02Å; L231-Y262 HydrophobicContact CB-CE1 3.84Å; L231-Y262 HydrophobicContact CD1-CD1 3.77Å; L231-Y262 HydrophobicContact CD1-CD2 3.99Å; L231-Y262 HydrophobicContact CD1-CE1 3.93Å; L231-Y262 HydrophobicContact CD1-CE2 4.12Å; L231-Y262 HydrophobicContact CD1-CG 3.8Å; L231-Y262 HydrophobicContact CD2-CD1 3.95Å; L231-Y262 HydrophobicContact CD2-CG 4.28Å; L231-Y262 HydrophobicContact CG-CD1 4.13Å; L231-Y262 HydrophobicContact CG-CE1 4.32Å |
| 232 | R | 95.9 | Very high | 96 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -48.8 | -40 | -179.3 | 177.7 | -179.8 | 173.5 | 64 | 7 | 113.2 | D51 P210 T216 Y230 F234 Y235 L236 | D51-R232 VanDerWaalsContact O-CZ 3.23Å; D51-R232 PolarHBondContact O-NE 3.31Å; D51-R232 PolarHBondContact O-NH2 3.2Å; P210-R232 PolarHBondContact O-NH1 2.98Å; P210-R232 PolarHBondContact O-NH2 3.36Å; T216-R232 PolarHBondContact OG1-NH2 3.14Å; Y230-R232 VanDerWaalsContact C-N 3.27Å; Y230-R232 HydrophobicContact CD1-CB 4.2Å; Y230-R232 HydrophobicContact CD2-CB 4.26Å; Y230-R232 HydrophobicContact CE1-CB 3.73Å; Y230-R232 HydrophobicContact CE1-CG 4.34Å; Y230-R232 HydrophobicContact CE2-CB 3.79Å; Y230-R232 HydrophobicContact CG-CB 4.47Å; Y230-R232 PolarHBondContact O-N 2.88Å; Y230-R232 WeakPolarHBondContact OH-CD 3.46Å; R232-F234 VanDerWaalsContact C-N 3.26Å; R232-F234 PolarHBondContact O-N 2.8Å; R232-Y235 PolarHBondContact O-N 2.74Å; R232-L236 HydrophobicContact CG-CD1 4.02Å; R232-L236 HydrophobicContact CG-CG 4.21Å; R232-L236 PolarHBondContact O-N 3.36Å |
| 233 | N | 95 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -35.9 | -178.5 | -58.5 | -33.8 | 0 | 0 | 0 | 112.5 | F48 V54 F72 L231 L236 K237 | F48-N233 WeakPolarHBondContact CB-ND2 3.21Å; F48-N233 WeakPolarHBondContact CD2-OD1 3.36Å; V54-N233 HydrophobicContact CG1-CB 3.96Å; V54-N233 WeakPolarHBondContact CG1-O 3.29Å; F72-N233 HydrophobicContact CD2-CB 4.08Å; F72-N233 HydrophobicContact CE2-CB 3.97Å; L231-N233 PolarHBondContact O-N 3.08Å; N233-L236 PolarHBondContact O-N 2.65Å; N233-K237 PolarHBondContact O-N 3.04Å; N233-K237 VanDerWaalsContact O-N 3.08Å |
| 234 | F | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.5 | -53.5 | 175.5 | -179.8 | -104.1 | 0 | 0 | 0 | 110.9 | F46 F72 H89 A90 L231 R232 K237 V238 L250 V258 | F46-F234 HydrophobicContact CZ-CD2 4.13Å; F72-F234 HydrophobicContact CB-CD2 4.31Å; F72-F234 HydrophobicContact CD1-CB 3.81Å; F72-F234 AromaticContact CD1-CD2 3.95Å; F72-F234 HydrophobicContact CD1-CD2 3.95Å; F72-F234 HydrophobicContact CD1-CG 4.25Å; F72-F234 HydrophobicContact CE1-CB 4Å; F72-F234 HydrophobicContact CG-CB 4.13Å; F72-F234 HydrophobicContact CG-CD2 4.36Å; F72-F234 HydrophobicContact CZ-CB 4.46Å; H89-F234 VanDerWaalsContact C-CE2 3.45Å; H89-F234 WeakPolarHBondContact O-CE2 3.44Å; A90-F234 HydrophobicContact CB-CD2 4.01Å; A90-F234 HydrophobicContact CB-CE2 4.11Å; A90-F234 HydrophobicContact CB-CG 4.37Å; L231-F234 HydrophobicContact CD1-CB 3.75Å; L231-F234 HydrophobicContact CD1-CD1 4.3Å; L231-F234 HydrophobicContact CD1-CG 4.15Å; L231-F234 HydrophobicContact CG-CB 4.35Å; L231-F234 WeakPolarHBondContact O-CB 3.33Å; L231-F234 PolarHBondContact O-N 3.23Å; R232-F234 VanDerWaalsContact C-N 3.26Å; R232-F234 PolarHBondContact O-N 2.8Å; F234-K237 PolarHBondContact O-N 2.93Å; F234-V238 HydrophobicContact CE1-CG2 4.21Å; F234-V238 HydrophobicContact CZ-CG2 4.27Å; F234-V238 WeakPolarHBondContact O-CG2 3.18Å; F234-V238 PolarHBondContact O-N 2.75Å; F234-L250 HydrophobicContact CE1-CD1 3.63Å; F234-L250 HydrophobicContact CZ-CD1 3.61Å; F234-V258 HydrophobicContact CE1-CG1 4.06Å; F234-V258 HydrophobicContact CZ-CG1 4.18Å |
| 235 | Y | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.4 | -33.8 | -178.4 | -63.9 | -65.6 | 0 | 0 | 0 | 112.9 | D208 P210 L231 R232 K237 V238 D239 V255 H259 | D208-Y235 VanDerWaalsContact CA-CD2 3.45Å; D208-Y235 VanDerWaalsContact CA-CE2 3.48Å; D208-Y235 HydrophobicContact CB-CD2 3.95Å; D208-Y235 HydrophobicContact CB-CE1 4.24Å; D208-Y235 HydrophobicContact CB-CE2 3.47Å; D208-Y235 VanDerWaalsContact CB-CE2 3.47Å; D208-Y235 HydrophobicContact CB-CG 4.45Å; P210-Y235 VanDerWaalsContact CG-CB 3.41Å; L231-Y235 HydrophobicContact CD2-CD2 4.47Å; L231-Y235 HydrophobicContact CD2-CE2 3.57Å; L231-Y235 HydrophobicContact CG-CD2 4.15Å; L231-Y235 HydrophobicContact CG-CE2 3.68Å; R232-Y235 PolarHBondContact O-N 2.74Å; Y235-K237 PolarHBondContact O-N 3.33Å; Y235-V238 PolarHBondContact O-N 3.2Å; Y235-D239 WeakPolarHBondContact O-CB 3.5Å; Y235-D239 PolarHBondContact O-N 3.35Å; Y235-V255 HydrophobicContact CE1-CG1 3.63Å; Y235-H259 VanDerWaalsContact OH-CB 3.25Å; Y235-H259 WeakPolarHBondContact OH-CB 3.33Å |
| 236 | L | 95.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 13% | 0.131 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.8 | -43.1 | 171.3 | -81.4 | 174.2 | 0 | 0 | 0 | 111.3 | V54 P210 R232 N233 E240 | V54-L236 HydrophobicContact CG1-CB 3.99Å; V54-L236 HydrophobicContact CG1-CD1 4.5Å; P210-L236 HydrophobicContact CB-CD2 3.55Å; P210-L236 HydrophobicContact CB-CG 3.91Å; P210-L236 HydrophobicContact CG-CD2 4.28Å; P210-L236 HydrophobicContact CG-CG 4.22Å; R232-L236 HydrophobicContact CG-CD1 4.02Å; R232-L236 HydrophobicContact CG-CG 4.21Å; R232-L236 PolarHBondContact O-N 3.36Å; N233-L236 PolarHBondContact O-N 2.65Å; L236-E240 VanDerWaalsContact O-CB 3.25Å; L236-E240 WeakPolarHBondContact O-CB 3.38Å; L236-E240 PolarHBondContact O-N 2.86Å |
| 237 | K | 96.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.4 | -42.3 | 178.3 | -170.5 | 43.5 | 164.3 | 172.7 | 0 | 112.5 | F46 V54 Y88 N233 F234 Y235 D239 E240 D241 | F46-K237 HydrophobicContact CD1-CG 3.9Å; F46-K237 HydrophobicContact CD2-CB 3.91Å; F46-K237 HydrophobicContact CD2-CG 4.08Å; F46-K237 HydrophobicContact CE1-CB 4.19Å; F46-K237 HydrophobicContact CE1-CG 3.76Å; F46-K237 HydrophobicContact CE2-CB 3.51Å; F46-K237 HydrophobicContact CE2-CG 3.94Å; F46-K237 HydrophobicContact CG-CB 4.4Å; F46-K237 HydrophobicContact CG-CG 4.05Å; F46-K237 HydrophobicContact CZ-CB 3.65Å; F46-K237 HydrophobicContact CZ-CG 3.77Å; V54-K237 HydrophobicContact CG2-CB 4.08Å; V54-K237 HydrophobicContact CG2-CD 3.82Å; V54-K237 HydrophobicContact CG2-CG 4.3Å; Y88-K237 HydrophobicContact CD1-CG 4.44Å; Y88-K237 HydrophobicContact CE1-CG 4.24Å; N233-K237 PolarHBondContact O-N 3.04Å; N233-K237 VanDerWaalsContact O-N 3.08Å; F234-K237 PolarHBondContact O-N 2.93Å; Y235-K237 PolarHBondContact O-N 3.33Å; K237-D239 VanDerWaalsContact C-N 3.35Å; K237-D239 PolarHBondContact O-N 3.27Å; K237-E240 VanDerWaalsContact CD-OE2 3.3Å; K237-E240 WeakPolarHBondContact CD-OE2 3.43Å; K237-E240 IonicContact NZ-OE2 2.75Å; K237-E240 PolarHBondContact NZ-OE2 3.25Å; K237-E240 PolarHBondContact O-N 2.94Å; K237-D241 WeakPolarHBondContact CE-OD1 3.49Å; K237-D241 WeakPolarHBondContact CE-OD2 3.34Å; K237-D241 IonicContact NZ-OD1 3.88Å; K237-D241 PolarHBondContact NZ-OD1 3.07Å; K237-D241 IonicContact NZ-OD2 3.61Å; K237-D241 WeakPolarHBondContact O-CB 3.43Å; K237-D241 PolarHBondContact O-N 2.87Å |
| 238 | V | 95.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | Y88 F234 Y235 T242 P247 L250 | Y88-V238 HydrophobicContact CD1-CG2 4.05Å; Y88-V238 HydrophobicContact CD2-CG2 3.85Å; Y88-V238 HydrophobicContact CE2-CG2 4.49Å; Y88-V238 HydrophobicContact CG-CG2 3.63Å; F234-V238 HydrophobicContact CE1-CG2 4.21Å; F234-V238 HydrophobicContact CZ-CG2 4.27Å; F234-V238 WeakPolarHBondContact O-CG2 3.18Å; F234-V238 PolarHBondContact O-N 2.75Å; Y235-V238 PolarHBondContact O-N 3.2Å; V238-T242 HydrophobicContact CG1-CG2 4.37Å; V238-T242 VanDerWaalsContact O-CB 3.29Å; V238-T242 WeakPolarHBondContact O-CB 3.49Å; V238-T242 VanDerWaalsContact O-CG2 3.28Å; V238-T242 WeakPolarHBondContact O-CG2 3.29Å; V238-T242 PolarHBondContact O-N 3.49Å; V238-T242 PolarHBondContact O-OG1 3.1Å; V238-P247 HydrophobicContact CG1-CG 3.94Å; V238-L250 HydrophobicContact CG1-CD2 4.21Å; V238-L250 HydrophobicContact CG2-CD2 4.28Å |
| 239 | D | 93.5 | Very high | 91.7 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 179.9 | -72.5 | 2.2 | 0 | 0 | 0 | 111.6 | P210 Y235 K237 R243 | P210-D239 WeakPolarHBondContact CD-OD2 3.14Å; Y235-D239 WeakPolarHBondContact O-CB 3.5Å; Y235-D239 PolarHBondContact O-N 3.35Å; K237-D239 VanDerWaalsContact C-N 3.35Å; K237-D239 PolarHBondContact O-N 3.27Å; D239-R243 VanDerWaalsContact O-CA 3.29Å; D239-R243 WeakPolarHBondContact O-CA 3.45Å; D239-R243 PolarHBondContact O-N 3.33Å |
| 240 | E | 93.1 | Very high | 91.5 | Very high | 85 Ų | 85 | 40.3 Ų | 40.3 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.3 | -52.8 | 176.9 | -179 | -172.2 | -156 | 0 | 0 | 111.4 | L236 K237 R243 | L236-E240 VanDerWaalsContact O-CB 3.25Å; L236-E240 WeakPolarHBondContact O-CB 3.38Å; L236-E240 PolarHBondContact O-N 2.86Å; K237-E240 VanDerWaalsContact CD-OE2 3.3Å; K237-E240 WeakPolarHBondContact CD-OE2 3.43Å; K237-E240 IonicContact NZ-OE2 2.75Å; K237-E240 PolarHBondContact NZ-OE2 3.25Å; K237-E240 PolarHBondContact O-N 2.94Å; E240-R243 WeakPolarHBondContact O-CD 3.25Å; E240-R243 PolarHBondContact O-NE 3.02Å; E240-R243 PolarHBondContact O-NH1 3.41Å; E240-R243 VanDerWaalsContact O-NH1 3.12Å |
| 241 | D | 94.3 | Very high | 91.2 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -78.3 | -34.6 | -171.9 | -78.2 | 2 | 0 | 0 | 0 | 112.5 | K74 Y88 K237 | K74-D241 IonicContact NZ-OD2 3.67Å; K74-D241 PolarHBondContact NZ-OD2 3.49Å; Y88-D241 HydrophobicContact CE1-CB 4.3Å; Y88-D241 WeakPolarHBondContact OH-CB 3.44Å; Y88-D241 PolarHBondContact OH-OD2 3.09Å; Y88-D241 VanDerWaalsContact OH-OD2 3.1Å; K237-D241 WeakPolarHBondContact CE-OD1 3.49Å; K237-D241 WeakPolarHBondContact CE-OD2 3.34Å; K237-D241 IonicContact NZ-OD1 3.88Å; K237-D241 PolarHBondContact NZ-OD1 3.07Å; K237-D241 IonicContact NZ-OD2 3.61Å; K237-D241 WeakPolarHBondContact O-CB 3.43Å; K237-D241 PolarHBondContact O-N 2.87Å |
| 242 | T | 91 | Very high | 91.1 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -92.3 | -18.4 | -176.2 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | Y88 V238 K244 | Y88-T242 HydrophobicContact CE2-CG2 4.16Å; V238-T242 HydrophobicContact CG1-CG2 4.37Å; V238-T242 VanDerWaalsContact O-CB 3.29Å; V238-T242 WeakPolarHBondContact O-CB 3.49Å; V238-T242 VanDerWaalsContact O-CG2 3.28Å; V238-T242 WeakPolarHBondContact O-CG2 3.29Å; V238-T242 PolarHBondContact O-N 3.49Å; V238-T242 PolarHBondContact O-OG1 3.1Å; T242-K244 PolarHBondContact O-N 2.9Å; T242-K244 VanDerWaalsContact O-N 3.15Å; T242-K244 PolarHBondContact OG1-N 2.87Å |
| 243 | R | 86.2 | Confident | 91 | Very high | 205 Ų | 205 | 45 Ų | 45 | 77% | 0.774 | 22% | 0.224 | S | C | * | . | trans | 53.9 | 25 | -170.9 | -53.7 | -60.3 | -171.7 | -159.7 | -2.2 | 113.1 | D239 E240 | D239-R243 VanDerWaalsContact O-CA 3.29Å; D239-R243 WeakPolarHBondContact O-CA 3.45Å; D239-R243 PolarHBondContact O-N 3.33Å; E240-R243 WeakPolarHBondContact O-CD 3.25Å; E240-R243 PolarHBondContact O-NE 3.02Å; E240-R243 PolarHBondContact O-NH1 3.41Å; E240-R243 VanDerWaalsContact O-NH1 3.12Å | ||
| 244 | K | 81.4 | Confident | 91 | Very high | 137 Ų | 137 | 45.2 Ų | 45.2 | 60% | 0.596 | 23% | 0.226 | S | C | * | . | trans | -103.3 | 126 | 177.5 | -68 | 179 | -179.6 | 179.1 | 0 | 109.2 | T242 | T242-K244 PolarHBondContact O-N 2.9Å; T242-K244 VanDerWaalsContact O-N 3.15Å; T242-K244 PolarHBondContact OG1-N 2.87Å | ||
| 245 | Y | 76.9 | Confident | 90.8 | Very high | 113 Ų | 113 | 45.7 Ų | 45.7 | 44% | 0.443 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -76.6 | 131.2 | 166.8 | 168.3 | -102.4 | 0 | 0 | 0 | 109.6 | V209 S211 D288 | V209-Y245 HydrophobicContact CG1-CE2 3.71Å; S211-Y245 WeakPolarHBondContact OG-CD2 3.36Å; S211-Y245 WeakPolarHBondContact OG-CE2 3.4Å; Y245-D288 PolarHBondContact OH-OD2 2.81Å |
| 246 | N | 78.4 | Confident | 90.7 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 48 | 60 | 172.3 | -170.8 | 17.4 | 0 | 0 | 0 | 113.4 | G284 | N246-G284 PolarHBondContact ND2-O 2.94Å; N246-G284 WeakPolarHBondContact OD1-CA 3.49Å |
| 247 | P | 83.3 | Confident | 90.7 | Very high | 20 Ų | 20 | 48 Ų | 48 | 13% | 0.13 | 24% | 0.239 | C | C | . | . | trans | -60.4 | 141.9 | 177 | 26.7 | -33.2 | 0 | 0 | 0 | 110.5 | V238 V255 | V238-P247 HydrophobicContact CG1-CG 3.94Å; P247-V255 HydrophobicContact CG-CG2 4.35Å; P247-V255 WeakPolarHBondContact O-CB 3.33Å; P247-V255 WeakPolarHBondContact O-CG2 3.33Å | ||
| 248 | S | 88.4 | Confident | 90.7 | Very high | 31 Ų | 31 | 48 Ų | 48 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -87.9 | -21.2 | 179.5 | -56 | 0 | 0 | 0 | 0 | 113.5 | L10 S254 V255 R292 | L10-S248 WeakPolarHBondContact CD2-O 2.83Å; S248-S254 WeakPolarHBondContact O-CA 3.39Å; S248-V255 PolarHBondContact O-N 2.99Å; S248-R292 PolarHBondContact OG-NH2 3.01Å; S248-R292 VanDerWaalsContact OG-NH2 3.09Å |
| 249 | C | 93.7 | Very high | 90.8 | Very high | 38 Ų | 38 | 47.9 Ų | 47.9 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 148.7 | -174.2 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | C12 E253 | C12-C249 WeakPolarHBondContact CA-SG 3.32Å; C12-C249 HydrophobicContact CB-CB 3.71Å; C12-C249 WeakPolarHBondContact CB-SG 3.34Å; C12-C249 WeakPolarHBondContact SG-CB 3.24Å; C12-C249 CovalentContact SG-SG 2.04Å; C12-C249 PolarHBondContact SG-SG 2.89Å; C249-E253 CarbonylContact C-O 3.56Å; C249-E253 WeakPolarHBondContact CA-O 3.33Å |
| 250 | L | 93.4 | Very high | 91 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 87 | 168.7 | -73.5 | 170.8 | 0 | 0 | 0 | 108.7 | N17 N87 Y88 F234 V238 S252 E253 V255 V258 | N17-L250 PolarHBondContact ND2-O 3.12Å; N17-L250 VanDerWaalsContact ND2-O 3.08Å; N87-L250 PolarHBondContact ND2-O 3.32Å; N87-L250 VanDerWaalsContact ND2-O 3.11Å; Y88-L250 HydrophobicContact CD2-CD2 4.16Å; F234-L250 HydrophobicContact CE1-CD1 3.63Å; F234-L250 HydrophobicContact CZ-CD1 3.61Å; V238-L250 HydrophobicContact CG1-CD2 4.21Å; V238-L250 HydrophobicContact CG2-CD2 4.28Å; L250-S252 PolarHBondContact O-N 3.15Å; L250-E253 PolarHBondContact N-O 3.37Å; L250-E253 PolarHBondContact O-N 3.42Å; L250-V255 HydrophobicContact CD1-CG2 4.08Å; L250-V255 HydrophobicContact CG-CG2 3.85Å; L250-V258 HydrophobicContact CB-CG2 4.43Å; L250-V258 HydrophobicContact CD1-CB 4.31Å; L250-V258 HydrophobicContact CD1-CG1 4.08Å; L250-V258 HydrophobicContact CD1-CG2 4.1Å |
| 251 | G | 92.8 | Very high | 91.3 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 33% | 0.33 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -121 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S13 N17 | S13-G251 VanDerWaalsContact CB-O 3.29Å; S13-G251 WeakPolarHBondContact CB-O 3.46Å; S13-G251 PolarHBondContact N-O 2.75Å; N17-G251 WeakPolarHBondContact OD1-CA 3.34Å |
| 252 | S | 93.9 | Very high | 91.5 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 24% | 0.238 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -10.6 | -180 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | S13 E15 N17 L250 | S13-S252 VanDerWaalsContact O-CA 3.32Å; S13-S252 WeakPolarHBondContact O-CA 3.43Å; S13-S252 VanDerWaalsContact O-CB 3.3Å; S13-S252 WeakPolarHBondContact O-CB 3.47Å; E15-S252 WeakPolarHBondContact O-CB 3.28Å; N17-S252 PolarHBondContact N-OG 3.22Å; N17-S252 VanDerWaalsContact N-OG 3.08Å; N17-S252 PolarHBondContact OD1-N 3.45Å; L250-S252 PolarHBondContact O-N 3.15Å |
| 253 | E | 94.7 | Very high | 91.8 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 144.1 | -174.8 | -68.3 | 172.5 | 106.9 | 0 | 0 | 110.7 | N17 C249 L250 V258 | N17-E253 PolarHBondContact ND2-OE2 3.43Å; C249-E253 CarbonylContact C-O 3.56Å; C249-E253 WeakPolarHBondContact CA-O 3.33Å; L250-E253 PolarHBondContact N-O 3.37Å; L250-E253 PolarHBondContact O-N 3.42Å; E253-V258 HydrophobicContact CB-CG2 3.93Å |
| 254 | S | 94.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 146.8 | 170.9 | 68.2 | 0 | 0 | 0 | 0 | 110.6 | S248 Y256 Q257 V258 Y285 | S248-S254 WeakPolarHBondContact O-CA 3.39Å; S254-Y256 PolarHBondContact O-N 3.31Å; S254-Q257 PolarHBondContact O-N 3.38Å; S254-Q257 VanDerWaalsContact O-N 3.1Å; S254-Q257 WeakPolarHBondContact OG-CB 3.4Å; S254-Q257 VanDerWaalsContact OG-CG 3.28Å; S254-Q257 WeakPolarHBondContact OG-CG 3.43Å; S254-Q257 PolarHBondContact OG-N 3.19Å; S254-Q257 VanDerWaalsContact OG-N 3.17Å; S254-Q257 PolarHBondContact OG-OE1 3.25Å; S254-V258 PolarHBondContact O-N 2.93Å; S254-Y285 WeakPolarHBondContact CB-OH 3.25Å |
| 255 | V | 94.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 6% | 0.055 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.8 | -35 | 175.4 | 160.4 | 0 | 0 | 0 | 0 | 111.3 | Y235 P247 S248 L250 V258 H259 | Y235-V255 HydrophobicContact CE1-CG1 3.63Å; P247-V255 HydrophobicContact CG-CG2 4.35Å; P247-V255 WeakPolarHBondContact O-CB 3.33Å; P247-V255 WeakPolarHBondContact O-CG2 3.33Å; S248-V255 PolarHBondContact O-N 2.99Å; L250-V255 HydrophobicContact CD1-CG2 4.08Å; L250-V255 HydrophobicContact CG-CG2 3.85Å; V255-V258 PolarHBondContact O-N 3.34Å; V255-H259 WeakPolarHBondContact O-CB 3.31Å; V255-H259 PolarHBondContact O-N 2.99Å |
| 256 | Y | 94.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 175.9 | -172.3 | -94.8 | 0 | 0 | 0 | 112.9 | F119 S254 H259 L260 H282 Y285 A296 P299 T300 | F119-Y256 HydrophobicContact CE1-CE2 4.33Å; F119-Y256 WeakPolarHBondContact CE1-OH 3.41Å; F119-Y256 WeakPolarHBondContact CZ-OH 3.43Å; S254-Y256 PolarHBondContact O-N 3.31Å; Y256-H259 WeakPolarHBondContact O-CB 3.36Å; Y256-H259 PolarHBondContact O-N 3.2Å; Y256-L260 HydrophobicContact CD1-CD1 3.78Å; Y256-L260 HydrophobicContact CD1-CG 4.37Å; Y256-L260 HydrophobicContact CE1-CD1 3.34Å; Y256-L260 HydrophobicContact CE1-CG 4.02Å; Y256-L260 PolarHBondContact O-N 2.97Å; Y256-H282 HydrophobicContact CD2-CB 4.24Å; Y256-H282 AromaticContact CD2-CE1 3.9Å; Y256-H282 AromaticContact CD2-CG 3.87Å; Y256-H282 AromaticContact CD2-ND1 3.4Å; Y256-H282 WeakPolarHBondContact CD2-ND1 3.31Å; Y256-H282 HydrophobicContact CE2-CB 3.75Å; Y256-H282 AromaticContact CE2-CD2 3.74Å; Y256-H282 AromaticContact CE2-CE1 3.64Å; Y256-H282 AromaticContact CE2-CG 3.33Å; Y256-H282 AromaticContact CE2-ND1 3.28Å; Y256-H282 VanDerWaalsContact CE2-ND1 3.28Å; Y256-H282 WeakPolarHBondContact CE2-ND1 3.33Å; Y256-H282 AromaticContact CE2-NE2 3.94Å; Y256-Y285 VanDerWaalsContact CB-CZ 3.47Å; Y256-Y285 HydrophobicContact CD1-CE2 4.1Å; Y256-Y285 AromaticContact CD2-CD2 3.59Å; Y256-Y285 HydrophobicContact CD2-CD2 3.59Å; Y256-Y285 AromaticContact CD2-CE2 3.73Å; Y256-Y285 HydrophobicContact CD2-CE2 3.73Å; Y256-Y285 HydrophobicContact CD2-CG 4.37Å; Y256-Y285 HydrophobicContact CE2-CD2 4.26Å; Y256-Y285 AromaticContact CG-CD2 3.81Å; Y256-Y285 HydrophobicContact CG-CD2 3.81Å; Y256-Y285 AromaticContact CG-CE2 3.43Å; Y256-Y285 HydrophobicContact CG-CE2 3.43Å; Y256-Y285 VanDerWaalsContact CG-CE2 3.43Å; Y256-A296 HydrophobicContact CD1-CB 4.48Å; Y256-A296 HydrophobicContact CD2-CB 4.46Å; Y256-A296 HydrophobicContact CE1-CB 3.8Å; Y256-A296 HydrophobicContact CE2-CB 3.8Å; Y256-A296 VanDerWaalsContact CZ-CB 3.48Å; Y256-P299 HydrophobicContact CD1-CB 3.9Å; Y256-P299 HydrophobicContact CD1-CG 4.45Å; Y256-P299 HydrophobicContact CE1-CB 3.95Å; Y256-T300 PolarHBondContact OH-OG1 3.17Å |
| 257 | Q | 95.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 17.5 Ų | 17.5 | 34% | 0.341 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 175.7 | -77 | 167.7 | -56.9 | 0 | 0 | 112 | S254 H259 L260 S261 P299 | S254-Q257 PolarHBondContact O-N 3.38Å; S254-Q257 VanDerWaalsContact O-N 3.1Å; S254-Q257 WeakPolarHBondContact OG-CB 3.4Å; S254-Q257 VanDerWaalsContact OG-CG 3.28Å; S254-Q257 WeakPolarHBondContact OG-CG 3.43Å; S254-Q257 PolarHBondContact OG-N 3.19Å; S254-Q257 VanDerWaalsContact OG-N 3.17Å; S254-Q257 PolarHBondContact OG-OE1 3.25Å; Q257-H259 PolarHBondContact O-N 2.81Å; Q257-L260 PolarHBondContact O-N 2.79Å; Q257-S261 VanDerWaalsContact O-CB 3.27Å; Q257-S261 WeakPolarHBondContact O-CB 3.28Å; Q257-S261 PolarHBondContact O-N 2.88Å; Q257-P299 HydrophobicContact CG-CB 3.89Å; Q257-P299 HydrophobicContact CG-CG 4.16Å |
| 258 | V | 96 | Very high | 95.9 | Very high | 12 Ų | 12 | 20.1 Ų | 20.1 | 7% | 0.073 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 110 | F234 L250 E253 S254 V255 S261 Y262 | F234-V258 HydrophobicContact CE1-CG1 4.06Å; F234-V258 HydrophobicContact CZ-CG1 4.18Å; L250-V258 HydrophobicContact CB-CG2 4.43Å; L250-V258 HydrophobicContact CD1-CB 4.31Å; L250-V258 HydrophobicContact CD1-CG1 4.08Å; L250-V258 HydrophobicContact CD1-CG2 4.1Å; E253-V258 HydrophobicContact CB-CG2 3.93Å; S254-V258 PolarHBondContact O-N 2.93Å; V255-V258 PolarHBondContact O-N 3.34Å; V258-S261 PolarHBondContact O-N 2.75Å; V258-S261 PolarHBondContact O-OG 3.08Å; V258-Y262 PolarHBondContact O-N 2.89Å |
| 259 | H | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.1 | -52.9 | 177.3 | -162.5 | 173.3 | 0 | 0 | 0 | 112 | A206 D208 L231 Y235 V255 Y256 Q257 S261 Y262 Q280 I281 H282 | A206-H259 WeakPolarHBondContact CB-NE2 3.4Å; D208-H259 WeakPolarHBondContact CB-ND1 3.28Å; D208-H259 IonicContact OD2-CE1 3.65Å; D208-H259 IonicContact OD2-ND1 3.76Å; D208-H259 PolarHBondContact OD2-ND1 3.31Å; L231-H259 WeakPolarHBondContact CD2-CD2 3.22Å; Y235-H259 VanDerWaalsContact OH-CB 3.25Å; Y235-H259 WeakPolarHBondContact OH-CB 3.33Å; V255-H259 WeakPolarHBondContact O-CB 3.31Å; V255-H259 PolarHBondContact O-N 2.99Å; Y256-H259 WeakPolarHBondContact O-CB 3.36Å; Y256-H259 PolarHBondContact O-N 3.2Å; Q257-H259 PolarHBondContact O-N 2.81Å; H259-S261 VanDerWaalsContact C-N 3.29Å; H259-S261 PolarHBondContact O-N 3.25Å; H259-Y262 WeakPolarHBondContact O-CB 3.41Å; H259-Y262 PolarHBondContact O-N 3.34Å; H259-Q280 PolarHBondContact CD2-NE2 3.4Å; H259-Q280 PolarHBondContact NE2-NE2 3.15Å; H259-Q280 PolarHBondContact O-NE2 3.35Å; H259-I281 PolarHBondContact CE1-O 3.27Å; H259-I281 VanDerWaalsContact CE1-O 3.3Å; H259-H282 AromaticContact CE1-ND1 3.82Å; H259-H282 AromaticContact CG-CE1 3.54Å; H259-H282 AromaticContact CG-ND1 3.67Å; H259-H282 AromaticContact ND1-CE1 3.5Å; H259-H282 PolarHBondContact ND1-CE1 3.3Å; H259-H282 AromaticContact ND1-ND1 3.15Å; H259-H282 PolarHBondContact ND1-ND1 3.46Å; H259-H282 VanDerWaalsContact ND1-ND1 3.15Å |
| 260 | L | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.2 | -44.5 | 176.1 | -73.8 | 173.2 | 0 | 0 | 0 | 111.8 | L117 Y256 Q257 Y262 V263 E264 H282 P299 H303 | L117-L260 HydrophobicContact CD1-CD2 3.99Å; Y256-L260 HydrophobicContact CD1-CD1 3.78Å; Y256-L260 HydrophobicContact CD1-CG 4.37Å; Y256-L260 HydrophobicContact CE1-CD1 3.34Å; Y256-L260 HydrophobicContact CE1-CG 4.02Å; Y256-L260 PolarHBondContact O-N 2.97Å; Q257-L260 PolarHBondContact O-N 2.79Å; L260-Y262 PolarHBondContact O-N 2.79Å; L260-V263 PolarHBondContact O-N 2.93Å; L260-E264 PolarHBondContact O-N 3.33Å; L260-H282 WeakPolarHBondContact CD2-NE2 3.37Å; L260-P299 HydrophobicContact CD1-CB 4.12Å; L260-H303 HydrophobicContact CD1-CB 4.03Å; L260-H303 HydrophobicContact CD2-CB 4.21Å; L260-H303 PolarHBondContact O-CE1 2.66Å |
| 261 | S | 97.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 8% | 0.084 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.9 | -22.7 | -175.9 | 90.4 | 0 | 0 | 0 | 0 | 113.8 | R22 Q257 V258 H259 V263 E264 D265 | R22-S261 PolarHBondContact NH1-O 2.89Å; R22-S261 PolarHBondContact NH1-OG 2.81Å; R22-S261 VanDerWaalsContact NH1-OG 3.16Å; Q257-S261 VanDerWaalsContact O-CB 3.27Å; Q257-S261 WeakPolarHBondContact O-CB 3.28Å; Q257-S261 PolarHBondContact O-N 2.88Å; V258-S261 PolarHBondContact O-N 2.75Å; V258-S261 PolarHBondContact O-OG 3.08Å; H259-S261 VanDerWaalsContact C-N 3.29Å; H259-S261 PolarHBondContact O-N 3.25Å; S261-V263 VanDerWaalsContact C-N 3.31Å; S261-E264 PolarHBondContact O-N 3.3Å; S261-D265 WeakPolarHBondContact O-CB 3.38Å; S261-D265 PolarHBondContact O-N 3.49Å |
| 262 | Y | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 174 | -173.4 | -116.5 | 0 | 0 | 0 | 111.5 | D71 F72 A90 T91 I92 L204 H229 L231 V258 H259 L260 F266 | D71-Y262 HydrophobicContact CB-CE2 4.36Å; D71-Y262 PolarHBondContact OD2-OH 2.75Å; F72-Y262 HydrophobicContact CE1-CD2 4.44Å; F72-Y262 AromaticContact CE1-CE2 3.59Å; F72-Y262 HydrophobicContact CE1-CE2 3.59Å; F72-Y262 AromaticContact CE1-CZ 3.74Å; F72-Y262 HydrophobicContact CZ-CE2 4.21Å; F72-Y262 AromaticContact CZ-CZ 3.89Å; F72-Y262 WeakPolarHBondContact CZ-OH 3.41Å; A90-Y262 HydrophobicContact CB-CD2 3.82Å; A90-Y262 HydrophobicContact CB-CE2 4.24Å; T91-Y262 WeakPolarHBondContact O-CE2 3.45Å; I92-Y262 HydrophobicContact CD1-CD2 4.02Å; I92-Y262 HydrophobicContact CD1-CE1 4.1Å; I92-Y262 HydrophobicContact CD1-CE2 3.44Å; I92-Y262 VanDerWaalsContact CD1-CE2 3.44Å; I92-Y262 VanDerWaalsContact CD1-CZ 3.49Å; I92-Y262 HydrophobicContact CG1-CD2 4.44Å; I92-Y262 HydrophobicContact CG1-CE2 4.21Å; L204-Y262 HydrophobicContact CD1-CD1 3.79Å; L204-Y262 HydrophobicContact CD1-CE1 3.59Å; L204-Y262 HydrophobicContact CD2-CD1 4.42Å; L204-Y262 HydrophobicContact CD2-CE1 4.38Å; L204-Y262 HydrophobicContact CG-CD1 4.37Å; L204-Y262 HydrophobicContact CG-CE1 3.96Å; H229-Y262 HydrophobicContact CB-CE1 4.37Å; H229-Y262 WeakPolarHBondContact CB-OH 3.33Å; L231-Y262 HydrophobicContact CB-CD1 4.02Å; L231-Y262 HydrophobicContact CB-CE1 3.84Å; L231-Y262 HydrophobicContact CD1-CD1 3.77Å; L231-Y262 HydrophobicContact CD1-CD2 3.99Å; L231-Y262 HydrophobicContact CD1-CE1 3.93Å; L231-Y262 HydrophobicContact CD1-CE2 4.12Å; L231-Y262 HydrophobicContact CD1-CG 3.8Å; L231-Y262 HydrophobicContact CD2-CD1 3.95Å; L231-Y262 HydrophobicContact CD2-CG 4.28Å; L231-Y262 HydrophobicContact CG-CD1 4.13Å; L231-Y262 HydrophobicContact CG-CE1 4.32Å; V258-Y262 PolarHBondContact O-N 2.89Å; H259-Y262 WeakPolarHBondContact O-CB 3.41Å; H259-Y262 PolarHBondContact O-N 3.34Å; L260-Y262 PolarHBondContact O-N 2.79Å; Y262-F266 PolarHBondContact O-N 3.12Å; Y262-F266 VanDerWaalsContact O-N 3.09Å |
| 263 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -75.4 | -35.3 | 175.3 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | Y115 L204 L260 S261 D265 F266 F267 A278 Q280 F307 | Y115-V263 HydrophobicContact CD2-CG1 4.25Å; Y115-V263 HydrophobicContact CE1-CG1 4.13Å; Y115-V263 HydrophobicContact CE2-CG1 3.75Å; Y115-V263 HydrophobicContact CE2-CG2 4.44Å; L204-V263 HydrophobicContact CD1-CG2 4.47Å; L204-V263 HydrophobicContact CD2-CG2 3.97Å; L260-V263 PolarHBondContact O-N 2.93Å; S261-V263 VanDerWaalsContact C-N 3.31Å; V263-D265 VanDerWaalsContact C-N 3.33Å; V263-D265 PolarHBondContact O-N 2.94Å; V263-F266 WeakPolarHBondContact O-CB 3.32Å; V263-F266 PolarHBondContact O-N 2.93Å; V263-F267 HydrophobicContact CG1-CD2 3.82Å; V263-F267 HydrophobicContact CG1-CE2 3.83Å; V263-F267 WeakPolarHBondContact O-CD2 3.36Å; V263-F267 PolarHBondContact O-N 2.95Å; V263-A278 HydrophobicContact CG1-CB 4.01Å; V263-Q280 HydrophobicContact CG2-CB 4.19Å; V263-Q280 HydrophobicContact CG2-CG 4.41Å; V263-Q280 VanDerWaalsContact CG2-OE1 3.27Å; V263-F307 HydrophobicContact CG1-CZ 4.11Å |
| 264 | E | 98.7 | Very high | 96.1 | Very high | 35 Ų | 35 | 26.7 Ų | 26.7 | 16% | 0.164 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 172.8 | -63.6 | 174.5 | -176.8 | 0 | 0 | 111.9 | L260 S261 F266 F267 T268 H303 F306 F307 | L260-E264 PolarHBondContact O-N 3.33Å; S261-E264 PolarHBondContact O-N 3.3Å; E264-F266 VanDerWaalsContact C-N 3.32Å; E264-F267 PolarHBondContact O-N 2.97Å; E264-T268 WeakPolarHBondContact O-CB 3.43Å; E264-T268 PolarHBondContact O-N 3.43Å; E264-T268 PolarHBondContact O-OG1 2.63Å; E264-H303 VanDerWaalsContact CG-ND1 3.35Å; E264-H303 WeakPolarHBondContact CG-ND1 3.46Å; E264-H303 IonicContact OE1-CE1 3.74Å; E264-H303 IonicContact OE1-CG 3.79Å; E264-H303 IonicContact OE1-ND1 2.83Å; E264-H303 PolarHBondContact OE1-ND1 2.93Å; E264-F306 HydrophobicContact CB-CD1 4.09Å; E264-F306 HydrophobicContact CB-CE1 3.55Å; E264-F306 HydrophobicContact CB-CZ 3.85Å; E264-F306 HydrophobicContact CG-CD1 3.67Å; E264-F306 HydrophobicContact CG-CE1 3.67Å; E264-F306 HydrophobicContact CG-CG 4.31Å; E264-F306 HydrophobicContact CG-CZ 4.31Å; E264-F307 HydrophobicContact CG-CE2 4.41Å |
| 265 | D | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.011 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 176 | -156.7 | 35.6 | 0 | 0 | 0 | 110.3 | R22 N23 T91 I92 S261 V263 F267 T268 T269 | R22-D265 WeakPolarHBondContact CA-OD1 3.47Å; R22-D265 WeakPolarHBondContact CD-OD1 3.42Å; N23-D265 PolarHBondContact N-OD1 2.98Å; N23-D265 PolarHBondContact N-OD2 3.04Å; T91-D265 WeakPolarHBondContact CA-OD2 3.41Å; T91-D265 WeakPolarHBondContact CB-OD2 3.39Å; T91-D265 PolarHBondContact OG1-OD2 3.45Å; I92-D265 HydrophobicContact CG1-CB 4.11Å; I92-D265 PolarHBondContact N-OD2 3.01Å; S261-D265 WeakPolarHBondContact O-CB 3.38Å; S261-D265 PolarHBondContact O-N 3.49Å; V263-D265 VanDerWaalsContact C-N 3.33Å; V263-D265 PolarHBondContact O-N 2.94Å; D265-F267 PolarHBondContact O-N 3.16Å; D265-T268 CarbonylContact O-C 3.48Å; D265-T268 PolarHBondContact O-N 2.76Å; D265-T268 VanDerWaalsContact O-N 3.08Å; D265-T269 VanDerWaalsContact O-CB 3.29Å; D265-T269 WeakPolarHBondContact O-CB 3.3Å; D265-T269 PolarHBondContact O-N 3.35Å; D265-T269 PolarHBondContact O-OG1 3.47Å |
| 266 | F | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.8 | 177 | -118.4 | 0 | 0 | 0 | 113.4 | I92 A202 L204 H229 Y262 V263 E264 T268 Y270 K276 A278 | I92-F266 HydrophobicContact CD1-CB 3.98Å; I92-F266 HydrophobicContact CD1-CD2 4.26Å; I92-F266 HydrophobicContact CG1-CB 3.84Å; I92-F266 HydrophobicContact CG2-CD2 4.25Å; A202-F266 HydrophobicContact CB-CE2 3.92Å; A202-F266 HydrophobicContact CB-CZ 3.86Å; L204-F266 HydrophobicContact CB-CD1 4.13Å; L204-F266 HydrophobicContact CB-CE1 3.96Å; L204-F266 HydrophobicContact CB-CE2 4.41Å; L204-F266 HydrophobicContact CB-CG 4.41Å; L204-F266 HydrophobicContact CB-CZ 4.13Å; L204-F266 HydrophobicContact CD1-CB 3.63Å; L204-F266 HydrophobicContact CD1-CD1 3.86Å; L204-F266 HydrophobicContact CD1-CD2 4.05Å; L204-F266 HydrophobicContact CD1-CG 3.59Å; H229-F266 AromaticContact CD2-CD2 3.73Å; H229-F266 AromaticContact CD2-CE2 3.55Å; Y262-F266 PolarHBondContact O-N 3.12Å; Y262-F266 VanDerWaalsContact O-N 3.09Å; V263-F266 WeakPolarHBondContact O-CB 3.32Å; V263-F266 PolarHBondContact O-N 2.93Å; E264-F266 VanDerWaalsContact C-N 3.32Å; F266-T268 VanDerWaalsContact C-N 3.3Å; F266-T268 PolarHBondContact O-N 2.87Å; F266-Y270 AromaticContact CD2-CD2 3.63Å; F266-Y270 HydrophobicContact CD2-CD2 3.63Å; F266-Y270 AromaticContact CD2-CE2 3.59Å; F266-Y270 HydrophobicContact CD2-CE2 3.59Å; F266-Y270 AromaticContact CE2-CD2 3.56Å; F266-Y270 HydrophobicContact CE2-CD2 3.56Å; F266-Y270 AromaticContact CE2-CE2 3.39Å; F266-Y270 HydrophobicContact CE2-CE2 3.39Å; F266-K276 HydrophobicContact CE1-CB 3.69Å; F266-K276 HydrophobicContact CE1-CD 4.44Å; F266-K276 HydrophobicContact CE1-CG 3.98Å; F266-K276 HydrophobicContact CZ-CB 4.04Å; F266-K276 HydrophobicContact CZ-CG 4.04Å; F266-A278 HydrophobicContact CD1-CB 4.24Å; F266-A278 HydrophobicContact CE1-CB 4.18Å |
| 267 | F | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.7 | -27.5 | 176.3 | -85.7 | -100.4 | 0 | 0 | 0 | 113.1 | N113 Y115 V263 E264 D265 K276 A278 F307 F312 T316 | N113-F267 HydrophobicContact CB-CE1 3.87Å; N113-F267 HydrophobicContact CB-CZ 4.25Å; Y115-F267 HydrophobicContact CG-CE2 4.4Å; Y115-F267 HydrophobicContact CG-CZ 4.45Å; V263-F267 HydrophobicContact CG1-CD2 3.82Å; V263-F267 HydrophobicContact CG1-CE2 3.83Å; V263-F267 WeakPolarHBondContact O-CD2 3.36Å; V263-F267 PolarHBondContact O-N 2.95Å; E264-F267 PolarHBondContact O-N 2.97Å; D265-F267 PolarHBondContact O-N 3.16Å; F267-K276 HydrophobicContact CB-CD 4.47Å; F267-K276 HydrophobicContact CD1-CD 3.64Å; F267-K276 HydrophobicContact CD2-CD 4.39Å; F267-K276 HydrophobicContact CE1-CB 4.27Å; F267-K276 HydrophobicContact CE1-CD 3.88Å; F267-K276 HydrophobicContact CG-CD 3.93Å; F267-K276 HydrophobicContact CZ-CB 4.16Å; F267-K276 HydrophobicContact CZ-CD 4.36Å; F267-A278 HydrophobicContact CE2-CB 3.98Å; F267-F307 HydrophobicContact CB-CE1 4.33Å; F267-F307 HydrophobicContact CB-CZ 4.23Å; F267-F307 AromaticContact CD1-CE1 3.69Å; F267-F307 HydrophobicContact CD1-CE1 3.69Å; F267-F307 HydrophobicContact CD1-CZ 4.3Å; F267-F307 AromaticContact CD2-CE1 3.73Å; F267-F307 HydrophobicContact CD2-CE1 3.73Å; F267-F307 AromaticContact CD2-CZ 3.54Å; F267-F307 HydrophobicContact CD2-CZ 3.54Å; F267-F307 AromaticContact CE1-CE1 3.83Å; F267-F307 HydrophobicContact CE1-CE1 3.83Å; F267-F307 AromaticContact CE2-CE1 3.85Å; F267-F307 HydrophobicContact CE2-CE1 3.85Å; F267-F307 AromaticContact CE2-CZ 3.88Å; F267-F307 HydrophobicContact CE2-CZ 3.88Å; F267-F307 AromaticContact CG-CE1 3.63Å; F267-F307 HydrophobicContact CG-CE1 3.63Å; F267-F307 AromaticContact CG-CZ 3.76Å; F267-F307 HydrophobicContact CG-CZ 3.76Å; F267-F307 AromaticContact CZ-CE1 3.91Å; F267-F307 HydrophobicContact CZ-CE1 3.91Å; F267-F307 HydrophobicContact CZ-CZ 4.41Å; F267-F312 HydrophobicContact CB-CD1 4.23Å; F267-F312 HydrophobicContact CB-CD2 4.1Å; F267-F312 HydrophobicContact CB-CE1 4.16Å; F267-F312 HydrophobicContact CB-CE2 4.02Å; F267-F312 HydrophobicContact CB-CG 4.24Å; F267-F312 HydrophobicContact CB-CZ 4.06Å; F267-F312 HydrophobicContact CD1-CB 4.26Å; F267-F312 HydrophobicContact CD1-CD1 4.24Å; F267-F312 HydrophobicContact CD1-CG 4.22Å; F267-F312 VanDerWaalsContact O-CE1 3.27Å; F267-F312 WeakPolarHBondContact O-CE1 3.43Å; F267-F312 WeakPolarHBondContact O-CZ 3.43Å; F267-T316 HydrophobicContact CE1-CG2 4.4Å; F267-T316 HydrophobicContact CZ-CG2 4.45Å |
| 268 | T | 97.5 | Very high | 96.7 | Very high | 75 Ų | 75 | 22.9 Ų | 22.9 | 46% | 0.46 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -81.6 | -39.1 | 179.7 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | E264 D265 F266 | E264-T268 WeakPolarHBondContact O-CB 3.43Å; E264-T268 PolarHBondContact O-N 3.43Å; E264-T268 PolarHBondContact O-OG1 2.63Å; D265-T268 CarbonylContact O-C 3.48Å; D265-T268 PolarHBondContact O-N 2.76Å; D265-T268 VanDerWaalsContact O-N 3.08Å; F266-T268 VanDerWaalsContact C-N 3.3Å; F266-T268 PolarHBondContact O-N 2.87Å |
| 269 | T | 96.6 | Very high | 96.8 | Very high | 16 Ų | 16 | 22.5 Ų | 22.5 | 10% | 0.098 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70 | -44.3 | -175 | -70.9 | 0 | 0 | 0 | 0 | 113 | N23 I92 P94 D265 | N23-T269 WeakPolarHBondContact CA-OG1 3.27Å; N23-T269 WeakPolarHBondContact OD1-CA 3.41Å; N23-T269 WeakPolarHBondContact OD1-CB 3.25Å; N23-T269 VanDerWaalsContact OD1-CG2 3.3Å; N23-T269 WeakPolarHBondContact OD1-CG2 3.4Å; N23-T269 PolarHBondContact OD1-OG1 3.12Å; N23-T269 VanDerWaalsContact OD1-OG1 3.13Å; I92-T269 HydrophobicContact CB-CG2 4.29Å; I92-T269 HydrophobicContact CG2-CG2 3.69Å; P94-T269 HydrophobicContact CB-CG2 3.76Å; P94-T269 HydrophobicContact CG-CG2 3.52Å; D265-T269 VanDerWaalsContact O-CB 3.29Å; D265-T269 WeakPolarHBondContact O-CB 3.3Å; D265-T269 PolarHBondContact O-N 3.35Å; D265-T269 PolarHBondContact O-OG1 3.47Å |
| 270 | Y | 95.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -84.3 | 139.2 | -177.6 | -79.7 | -80.1 | 0 | 0 | 0 | 111.3 | I92 P94 K95 A202 H229 F266 Q274 K276 | I92-Y270 HydrophobicContact CG2-CD2 4.31Å; I92-Y270 HydrophobicContact CG2-CE2 3.84Å; P94-Y270 HydrophobicContact CB-CE1 4.18Å; K95-Y270 PolarHBondContact N-OH 2.9Å; A202-Y270 HydrophobicContact CB-CD1 4.35Å; A202-Y270 HydrophobicContact CB-CD2 4.45Å; A202-Y270 HydrophobicContact CB-CE1 4.09Å; A202-Y270 HydrophobicContact CB-CE2 4.23Å; H229-Y270 AromaticContact NE2-CE2 3.31Å; H229-Y270 VanDerWaalsContact NE2-CE2 3.31Å; H229-Y270 WeakPolarHBondContact NE2-CE2 3.36Å; H229-Y270 AromaticContact NE2-CZ 3.47Å; H229-Y270 PolarHBondContact NE2-OH 3.22Å; F266-Y270 AromaticContact CD2-CD2 3.63Å; F266-Y270 HydrophobicContact CD2-CD2 3.63Å; F266-Y270 AromaticContact CD2-CE2 3.59Å; F266-Y270 HydrophobicContact CD2-CE2 3.59Å; F266-Y270 AromaticContact CE2-CD2 3.56Å; F266-Y270 HydrophobicContact CE2-CD2 3.56Å; F266-Y270 AromaticContact CE2-CE2 3.39Å; F266-Y270 HydrophobicContact CE2-CE2 3.39Å; Y270-Q274 HydrophobicContact CD1-CG 3.72Å; Y270-Q274 HydrophobicContact CE1-CG 4.5Å; Y270-Q274 HydrophobicContact CG-CG 4.18Å; Y270-K276 PolarHBondContact O-NZ 3.05Å |
| 271 | P | 93.5 | Very high | 96.9 | Very high | 79 Ų | 79 | 22.6 Ų | 22.6 | 51% | 0.513 | 12% | 0.117 | S | C | . | . | trans | -52.6 | 158.1 | 176.7 | -26.3 | 34.1 | 0 | 0 | 0 | 113.6 | E273 Q274 K276 | P271-E273 PolarHBondContact O-N 3.43Å; P271-Q274 WeakPolarHBondContact O-CB 3.25Å; P271-Q274 PolarHBondContact O-N 2.95Å; P271-Q274 VanDerWaalsContact O-N 3.16Å; P271-K276 PolarHBondContact O-NZ 3.41Å | ||
| 272 | R | 92.4 | Very high | 96.8 | Very high | 78 Ų | 78 | 22 Ų | 22 | 29% | 0.294 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.3 | -179.8 | -71.3 | -67.2 | -68.5 | -140.8 | -4.1 | 112.5 | Q274 K310 G311 F312 D315 | R272-Q274 VanDerWaalsContact C-N 3.29Å; R272-K310 PolarHBondContact NH1-O 3.14Å; R272-G311 VanDerWaalsContact NH1-C 3.31Å; R272-G311 PolarHBondContact NH1-O 3.33Å; R272-G311 PolarHBondContact NH2-O 3.42Å; R272-F312 VanDerWaalsContact NH1-CD1 3.33Å; R272-D315 IonicContact CZ-OD2 3.49Å; R272-D315 VanDerWaalsContact CZ-OD2 3.27Å; R272-D315 IonicContact NE-OD2 3.2Å; R272-D315 PolarHBondContact NE-OD2 3.24Å; R272-D315 IonicContact NH2-OD2 3.98Å; R272-D315 PolarHBondContact NH2-OD2 3.48Å |
| 273 | E | 90.8 | Very high | 96.6 | Very high | 137 Ų | 137 | 22.1 Ų | 22.1 | 64% | 0.64 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -21.8 | -179.7 | -62.2 | 66.4 | -142.3 | 0 | 0 | 112.4 | P271 P275 | P271-E273 PolarHBondContact O-N 3.43Å; E273-P275 VanDerWaalsContact O-CD 3.25Å; E273-P275 WeakPolarHBondContact O-CD 3.49Å |
| 274 | Q | 93.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.028 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -79.6 | 112.4 | 177.9 | 177.8 | 58.5 | 59.8 | 0 | 0 | 109.6 | S97 N99 G200 A202 Y270 P271 R272 K276 | S97-Q274 VanDerWaalsContact CB-OE1 3.24Å; S97-Q274 PolarHBondContact OG-OE1 2.94Å; N99-Q274 PolarHBondContact ND2-OE1 3Å; N99-Q274 PolarHBondContact OD1-OE1 3Å; G200-Q274 PolarHBondContact O-NE2 3.1Å; A202-Q274 HydrophobicContact CB-CG 4.19Å; Y270-Q274 HydrophobicContact CD1-CG 3.72Å; Y270-Q274 HydrophobicContact CE1-CG 4.5Å; Y270-Q274 HydrophobicContact CG-CG 4.18Å; P271-Q274 WeakPolarHBondContact O-CB 3.25Å; P271-Q274 PolarHBondContact O-N 2.95Å; P271-Q274 VanDerWaalsContact O-N 3.16Å; R272-Q274 VanDerWaalsContact C-N 3.29Å; Q274-K276 PolarHBondContact O-NZ 3.29Å |
| 275 | P | 96.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 7% | 0.065 | 11% | 0.112 | C | C | . | . | trans | -68.1 | 143.6 | 176.3 | 28.3 | -34.6 | 0 | 0 | 0 | 111.2 | P111 Y201 A202 E273 | P111-P275 HydrophobicContact CB-CB 3.87Å; P111-P275 HydrophobicContact CB-CG 4.26Å; P111-P275 HydrophobicContact CG-CB 4.28Å; P111-P275 HydrophobicContact CG-CG 4.15Å; Y201-P275 WeakPolarHBondContact CA-O 3.19Å; Y201-P275 HydrophobicContact CD1-CB 3.86Å; Y201-P275 HydrophobicContact CD2-CB 4.03Å; Y201-P275 HydrophobicContact CD2-CG 4.04Å; Y201-P275 HydrophobicContact CE1-CB 3.8Å; Y201-P275 HydrophobicContact CE2-CB 3.99Å; Y201-P275 HydrophobicContact CE2-CG 4.3Å; Y201-P275 HydrophobicContact CG-CB 3.97Å; Y201-P275 HydrophobicContact CG-CG 4.19Å; A202-P275 PolarHBondContact N-O 2.73Å; E273-P275 VanDerWaalsContact O-CD 3.25Å; E273-P275 WeakPolarHBondContact O-CD 3.49Å | ||
| 276 | K | 97.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.9 | -171.9 | -65.6 | 163.5 | -170.4 | 68.1 | 0 | 110.9 | N113 I114 A202 F266 F267 Y270 P271 Q274 | N113-K276 CarbonylContact C-O 3.59Å; N113-K276 WeakPolarHBondContact CA-O 3.29Å; N113-K276 HydrophobicContact CB-CB 4.24Å; N113-K276 WeakPolarHBondContact OD1-CB 3.35Å; N113-K276 PolarHBondContact OD1-N 3.5Å; I114-K276 PolarHBondContact N-O 3.15Å; A202-K276 WeakPolarHBondContact O-CA 3.33Å; F266-K276 HydrophobicContact CE1-CB 3.69Å; F266-K276 HydrophobicContact CE1-CD 4.44Å; F266-K276 HydrophobicContact CE1-CG 3.98Å; F266-K276 HydrophobicContact CZ-CB 4.04Å; F266-K276 HydrophobicContact CZ-CG 4.04Å; F267-K276 HydrophobicContact CB-CD 4.47Å; F267-K276 HydrophobicContact CD1-CD 3.64Å; F267-K276 HydrophobicContact CD2-CD 4.39Å; F267-K276 HydrophobicContact CE1-CB 4.27Å; F267-K276 HydrophobicContact CE1-CD 3.88Å; F267-K276 HydrophobicContact CG-CD 3.93Å; F267-K276 HydrophobicContact CZ-CB 4.16Å; F267-K276 HydrophobicContact CZ-CD 4.36Å; Y270-K276 PolarHBondContact O-NZ 3.05Å; P271-K276 PolarHBondContact O-NZ 3.41Å; Q274-K276 PolarHBondContact O-NZ 3.29Å |
| 277 | F | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 114 | 167.6 | 172.8 | -98.1 | 0 | 0 | 0 | 108.1 | I114 F116 L165 I192 W193 L196 Y201 A202 T203 L204 F279 | I114-F277 HydrophobicContact CB-CD2 3.9Å; I114-F277 HydrophobicContact CG2-CD2 3.73Å; I114-F277 HydrophobicContact CG2-CE2 3.92Å; I114-F277 CarbonylContact O-C 3.54Å; I114-F277 WeakPolarHBondContact O-CA 3.49Å; F116-F277 HydrophobicContact CD2-CE2 4.07Å; F116-F277 HydrophobicContact CE2-CE2 4.12Å; L165-F277 HydrophobicContact CD2-CZ 4.07Å; I192-F277 HydrophobicContact CG2-CE2 4.37Å; I192-F277 HydrophobicContact CG2-CZ 4.13Å; W193-F277 HydrophobicContact CB-CD1 3.9Å; W193-F277 HydrophobicContact CB-CE1 3.85Å; W193-F277 HydrophobicContact CE3-CE1 4.04Å; L196-F277 HydrophobicContact CD1-CB 3.94Å; L196-F277 HydrophobicContact CD1-CD1 4.28Å; L196-F277 HydrophobicContact CD1-CD2 3.31Å; L196-F277 HydrophobicContact CD1-CE2 3.83Å; L196-F277 HydrophobicContact CD1-CG 3.57Å; L196-F277 HydrophobicContact CD1-CZ 4.5Å; Y201-F277 HydrophobicContact CD1-CB 3.94Å; A202-F277 PolarHBondContact O-N 3.39Å; T203-F277 CarbonylContact C-O 3.58Å; T203-F277 WeakPolarHBondContact CA-O 3.32Å; T203-F277 HydrophobicContact CG2-CB 4.38Å; T203-F277 HydrophobicContact CG2-CD1 4.47Å; L204-F277 PolarHBondContact N-O 3.41Å; F277-F279 HydrophobicContact CE1-CB 3.85Å; F277-F279 HydrophobicContact CZ-CB 3.87Å; F277-F279 HydrophobicContact CZ-CD2 4.16Å; F277-F279 HydrophobicContact CZ-CG 4.43Å |
| 278 | A | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | I114 Y115 F116 L204 V263 F266 F267 | I114-A278 PolarHBondContact O-N 3.09Å; Y115-A278 WeakPolarHBondContact CA-O 3.29Å; Y115-A278 HydrophobicContact CD2-CB 3.68Å; Y115-A278 HydrophobicContact CE2-CB 4.27Å; Y115-A278 HydrophobicContact CG-CB 4.37Å; F116-A278 PolarHBondContact N-O 3.17Å; L204-A278 HydrophobicContact CB-CB 4.4Å; L204-A278 HydrophobicContact CD2-CB 4.33Å; V263-A278 HydrophobicContact CG1-CB 4.01Å; F266-A278 HydrophobicContact CD1-CB 4.24Å; F266-A278 HydrophobicContact CE1-CB 4.18Å; F267-A278 HydrophobicContact CE2-CB 3.98Å |
| 279 | F | 98.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 2% | 0.022 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 103.8 | 172.5 | -165.9 | -84.3 | 0 | 0 | 0 | 109.1 | F116 L161 I164 L165 L204 S205 A206 F277 F321 | F116-F279 HydrophobicContact CB-CD2 3.47Å; F116-F279 VanDerWaalsContact CB-CD2 3.47Å; F116-F279 HydrophobicContact CB-CE2 3.75Å; F116-F279 HydrophobicContact CB-CG 4.22Å; F116-F279 HydrophobicContact CD1-CD2 4.3Å; F116-F279 AromaticContact CD1-CE2 3.94Å; F116-F279 HydrophobicContact CD1-CE2 3.94Å; F116-F279 AromaticContact CD2-CD2 3.84Å; F116-F279 HydrophobicContact CD2-CD2 3.84Å; F116-F279 HydrophobicContact CD2-CE2 4.26Å; F116-F279 AromaticContact CG-CD2 3.63Å; F116-F279 HydrophobicContact CG-CD2 3.63Å; F116-F279 AromaticContact CG-CE2 3.74Å; F116-F279 HydrophobicContact CG-CE2 3.74Å; L161-F279 HydrophobicContact CD1-CE1 3.97Å; L161-F279 HydrophobicContact CD1-CZ 4.26Å; L161-F279 HydrophobicContact CD2-CE1 4.39Å; L161-F279 HydrophobicContact CD2-CZ 3.88Å; I164-F279 HydrophobicContact CG2-CE2 4.09Å; L165-F279 HydrophobicContact CD1-CD1 4.45Å; L165-F279 HydrophobicContact CD1-CE1 4.12Å; L165-F279 HydrophobicContact CD1-CE2 4.23Å; L165-F279 HydrophobicContact CD1-CZ 4Å; L165-F279 HydrophobicContact CD2-CD2 3.61Å; L165-F279 HydrophobicContact CD2-CE2 3.71Å; L165-F279 HydrophobicContact CD2-CG 4.15Å; L165-F279 HydrophobicContact CD2-CZ 4.34Å; L165-F279 HydrophobicContact CG-CD2 4.43Å; L165-F279 HydrophobicContact CG-CE2 4.09Å; L165-F279 HydrophobicContact CG-CZ 4.31Å; L204-F279 PolarHBondContact O-N 3.1Å; S205-F279 CarbonylContact C-O 3.59Å; S205-F279 WeakPolarHBondContact CA-O 3.37Å; A206-F279 PolarHBondContact N-O 2.82Å; F277-F279 HydrophobicContact CE1-CB 3.85Å; F277-F279 HydrophobicContact CZ-CB 3.87Å; F277-F279 HydrophobicContact CZ-CD2 4.16Å; F277-F279 HydrophobicContact CZ-CG 4.43Å; F279-F321 HydrophobicContact CE1-CZ 4.18Å; F279-F321 HydrophobicContact CE2-CE1 4.26Å; F279-F321 HydrophobicContact CE2-CZ 4.03Å; F279-F321 HydrophobicContact CZ-CE1 4.11Å; F279-F321 HydrophobicContact CZ-CE2 4.34Å; F279-F321 AromaticContact CZ-CZ 3.49Å; F279-F321 HydrophobicContact CZ-CZ 3.49Å; F279-F321 VanDerWaalsContact CZ-CZ 3.49Å |
| 280 | Q | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.6 | -178.3 | 178.7 | 170.5 | 30.9 | 0 | 0 | 109.6 | Y115 F116 G118 A206 H259 V263 H282 | Y115-Q280 HydrophobicContact CE2-CB 4.12Å; Y115-Q280 PolarHBondContact OH-OE1 2.81Å; F116-Q280 PolarHBondContact O-N 3.21Å; G118-Q280 VanDerWaalsContact CA-O 3.31Å; G118-Q280 WeakPolarHBondContact CA-O 3.41Å; G118-Q280 PolarHBondContact N-O 3.39Å; A206-Q280 HydrophobicContact CB-CB 4.48Å; A206-Q280 HydrophobicContact CB-CG 4.39Å; A206-Q280 WeakPolarHBondContact O-CA 3.4Å; H259-Q280 PolarHBondContact CD2-NE2 3.4Å; H259-Q280 PolarHBondContact NE2-NE2 3.15Å; H259-Q280 PolarHBondContact O-NE2 3.35Å; V263-Q280 HydrophobicContact CG2-CB 4.19Å; V263-Q280 HydrophobicContact CG2-CG 4.41Å; V263-Q280 VanDerWaalsContact CG2-OE1 3.27Å; Q280-H282 PolarHBondContact NE2-CE1 3.29Å; Q280-H282 PolarHBondContact NE2-NE2 2.69Å |
| 281 | I | 97.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 124.3 | 171.6 | -170.4 | 168.2 | 0 | 0 | 0 | 110.8 | G118 D120 T157 L161 A206 E207 H259 D323 | G118-I281 WeakPolarHBondContact O-CA 3.22Å; D120-I281 HydrophobicContact CB-CD1 4.24Å; D120-I281 HydrophobicContact CB-CG1 4.45Å; T157-I281 HydrophobicContact CG2-CD1 4.17Å; L161-I281 HydrophobicContact CD1-CD1 3.97Å; L161-I281 HydrophobicContact CD2-CD1 4.31Å; A206-I281 PolarHBondContact O-N 2.97Å; E207-I281 HydrophobicContact CB-CG2 3.94Å; E207-I281 HydrophobicContact CG-CG2 3.97Å; H259-I281 PolarHBondContact CE1-O 3.27Å; H259-I281 VanDerWaalsContact CE1-O 3.3Å; I281-D323 HydrophobicContact CD1-CB 4.49Å |
| 282 | H | 96.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.6 | 175.8 | -63.5 | -84 | 0 | 0 | 0 | 110.3 | G118 F119 D120 D208 Y256 H259 L260 Q280 | G118-H282 PolarHBondContact O-CD2 3.34Å; G118-H282 PolarHBondContact O-N 2.04Å; F119-H282 WeakPolarHBondContact CA-O 3.49Å; D120-H282 PolarHBondContact N-O 3.01Å; D208-H282 IonicContact OD2-ND1 2.74Å; Y256-H282 HydrophobicContact CD2-CB 4.24Å; Y256-H282 AromaticContact CD2-CE1 3.9Å; Y256-H282 AromaticContact CD2-CG 3.87Å; Y256-H282 AromaticContact CD2-ND1 3.4Å; Y256-H282 WeakPolarHBondContact CD2-ND1 3.31Å; Y256-H282 HydrophobicContact CE2-CB 3.75Å; Y256-H282 AromaticContact CE2-CD2 3.74Å; Y256-H282 AromaticContact CE2-CE1 3.64Å; Y256-H282 AromaticContact CE2-CG 3.33Å; Y256-H282 AromaticContact CE2-ND1 3.28Å; Y256-H282 VanDerWaalsContact CE2-ND1 3.28Å; Y256-H282 WeakPolarHBondContact CE2-ND1 3.33Å; Y256-H282 AromaticContact CE2-NE2 3.94Å; H259-H282 AromaticContact CE1-ND1 3.82Å; H259-H282 AromaticContact CG-CE1 3.54Å; H259-H282 AromaticContact CG-ND1 3.67Å; H259-H282 AromaticContact ND1-CE1 3.5Å; H259-H282 PolarHBondContact ND1-CE1 3.3Å; H259-H282 AromaticContact ND1-ND1 3.15Å; H259-H282 PolarHBondContact ND1-ND1 3.46Å; H259-H282 VanDerWaalsContact ND1-ND1 3.15Å; L260-H282 WeakPolarHBondContact CD2-NE2 3.37Å; Q280-H282 PolarHBondContact NE2-CE1 3.29Å; Q280-H282 PolarHBondContact NE2-NE2 2.69Å |
| 283 | V | 93.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | trans | -107.9 | -39.6 | -178.4 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | D120 E207 D208 V209 I212 Y285 S286 H287 | D120-V283 HydrophobicContact CB-CB 4.43Å; D120-V283 HydrophobicContact CB-CG1 4.46Å; D120-V283 HydrophobicContact CB-CG2 4.06Å; E207-V283 HydrophobicContact CG-CG2 4.12Å; D208-V283 WeakPolarHBondContact OD1-CB 3.36Å; D208-V283 PolarHBondContact OD1-N 2.85Å; V209-V283 HydrophobicContact CB-CB 4.2Å; V209-V283 HydrophobicContact CB-CG1 4.07Å; V209-V283 HydrophobicContact CG2-CB 3.77Å; V209-V283 HydrophobicContact CG2-CG1 3.87Å; I212-V283 HydrophobicContact CD1-CG1 3.82Å; V283-Y285 VanDerWaalsContact C-N 3.32Å; V283-Y285 PolarHBondContact O-N 3.05Å; V283-Y285 VanDerWaalsContact O-N 3.11Å; V283-S286 PolarHBondContact O-N 3.26Å; V283-H287 HydrophobicContact CG1-CB 3.73Å; V283-H287 WeakPolarHBondContact O-CB 3.31Å; V283-H287 PolarHBondContact O-N 2.84Å; V283-H287 VanDerWaalsContact O-N 3.13Å | ||
| 284 | G | 89.7 | Confident | 92.1 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 6% | 0.062 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -29.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | D208 N246 | D208-G284 PolarHBondContact OD1-N 3.38Å; N246-G284 PolarHBondContact ND2-O 2.94Å; N246-G284 WeakPolarHBondContact OD1-CA 3.49Å |
| 285 | Y | 87.8 | Confident | 92.1 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 6% | 0.059 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -20.8 | -178 | -78.8 | -5.6 | 0 | 0 | 0 | 115.1 | L10 S254 Y256 V283 R292 V293 L295 A296 | L10-Y285 WeakPolarHBondContact CD2-OH 3.38Å; S254-Y285 WeakPolarHBondContact CB-OH 3.25Å; Y256-Y285 VanDerWaalsContact CB-CZ 3.47Å; Y256-Y285 HydrophobicContact CD1-CE2 4.1Å; Y256-Y285 AromaticContact CD2-CD2 3.59Å; Y256-Y285 HydrophobicContact CD2-CD2 3.59Å; Y256-Y285 AromaticContact CD2-CE2 3.73Å; Y256-Y285 HydrophobicContact CD2-CE2 3.73Å; Y256-Y285 HydrophobicContact CD2-CG 4.37Å; Y256-Y285 HydrophobicContact CE2-CD2 4.26Å; Y256-Y285 AromaticContact CG-CD2 3.81Å; Y256-Y285 HydrophobicContact CG-CD2 3.81Å; Y256-Y285 AromaticContact CG-CE2 3.43Å; Y256-Y285 HydrophobicContact CG-CE2 3.43Å; Y256-Y285 VanDerWaalsContact CG-CE2 3.43Å; V283-Y285 VanDerWaalsContact C-N 3.32Å; V283-Y285 PolarHBondContact O-N 3.05Å; V283-Y285 VanDerWaalsContact O-N 3.11Å; Y285-R292 CarbonylContact O-C 3.58Å; Y285-R292 WeakPolarHBondContact O-CB 3.28Å; Y285-V293 PolarHBondContact O-N 3.06Å; Y285-L295 HydrophobicContact CD2-CB 4.08Å; Y285-L295 HydrophobicContact CE2-CB 3.8Å; Y285-A296 HydrophobicContact CD2-CB 4.15Å |
| 286 | S | 83.4 | Confident | 92.1 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -18.9 | -167.2 | 28.1 | 0 | 0 | 0 | 0 | 114.7 | D120 V283 | D120-S286 VanDerWaalsContact C-OG 3.28Å; D120-S286 CarbonylContact O-C 3.59Å; D120-S286 VanDerWaalsContact O-C 3.26Å; D120-S286 WeakPolarHBondContact O-CB 3.14Å; D120-S286 PolarHBondContact O-OG 3.49Å; V283-S286 PolarHBondContact O-N 3.26Å |
| 287 | H | 81.3 | Confident | 92.1 | Very high | 51 Ų | 51 | 21.2 Ų | 21.2 | 24% | 0.236 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -63.1 | -48.7 | -176.7 | -179.7 | -84.1 | 0 | 0 | 0 | 112.6 | D120 V283 | D120-H287 PolarHBondContact O-N 2.88Å; D120-H287 VanDerWaalsContact O-N 3.1Å; D120-H287 IonicContact OD1-CD2 2.75Å; D120-H287 IonicContact OD2-CD2 2.87Å; D120-H287 PolarHBondContact OD2-CD2 3.4Å; V283-H287 HydrophobicContact CG1-CB 3.73Å; V283-H287 WeakPolarHBondContact O-CB 3.31Å; V283-H287 PolarHBondContact O-N 2.84Å; V283-H287 VanDerWaalsContact O-N 3.13Å |
| 288 | D | 81.1 | Confident | 92 | Very high | 102 Ų | 102 | 23.1 Ų | 23.1 | 55% | 0.545 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -92.3 | -21.7 | -174.2 | -64.7 | -30.6 | 0 | 0 | 0 | 113.5 | Y245 | Y245-D288 PolarHBondContact OH-OD2 2.81Š|
| 289 | D | 83.4 | Confident | 91.9 | Very high | 53 Ų | 53 | 24.3 Ų | 24.3 | 28% | 0.283 | 13% | 0.132 | S | C | . | . | trans | -145.6 | 118.8 | -177.1 | -171.8 | -14.1 | 0 | 0 | 0 | 111.5 | D291 R292 | D289-D291 PolarHBondContact O-N 3.03Å; D289-D291 PolarHBondContact OD1-N 2.82Å; D289-R292 HydrophobicContact CB-CB 4.1Å; D289-R292 HydrophobicContact CB-CG 3.88Å; D289-R292 PolarHBondContact O-N 2.93Å | ||
| 290 | L | 85.7 | Confident | 91.9 | Very high | 29 Ų | 29 | 24 Ų | 24 | 15% | 0.152 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -24.3 | -179.9 | 72 | 114.8 | 0 | 0 | 0 | 113.6 | V4 V293 | V4-L290 HydrophobicContact CG2-CD1 4.03Å; L290-V293 WeakPolarHBondContact O-CG1 3.14Å |
| 291 | D | 90.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -28.4 | -173.3 | -73.9 | -57.7 | 0 | 0 | 0 | 111.4 | V4 H5 V7 K130 D289 V293 E294 | V4-D291 WeakPolarHBondContact CA-OD1 3.49Å; V4-D291 WeakPolarHBondContact CG1-OD1 3.39Å; H5-D291 IonicContact CE1-OD2 3.69Å; H5-D291 PolarHBondContact CE1-OD2 3.45Å; H5-D291 IonicContact CG-OD2 3.09Å; H5-D291 PolarHBondContact N-OD1 3.2Å; H5-D291 PolarHBondContact N-OD2 3.06Å; H5-D291 IonicContact ND1-OD2 3.63Å; H5-D291 PolarHBondContact ND1-OD2 2.68Å; H5-D291 WeakPolarHBondContact O-CB 3.38Å; V7-D291 HydrophobicContact CG1-CB 3.95Å; K130-D291 WeakPolarHBondContact CE-OD1 3.39Å; K130-D291 IonicContact NZ-OD1 2.74Å; K130-D291 PolarHBondContact NZ-OD1 2.86Å; D289-D291 PolarHBondContact O-N 3.03Å; D289-D291 PolarHBondContact OD1-N 2.82Å; D291-V293 PolarHBondContact O-N 2.75Å; D291-E294 WeakPolarHBondContact O-CB 3.18Å; D291-E294 PolarHBondContact O-N 3.26Å; D291-E294 VanDerWaalsContact O-N 3.16Å |
| 292 | R | 91.8 | Very high | 92 | Very high | 72 Ų | 72 | 30.3 Ų | 30.3 | 27% | 0.272 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -64.1 | -21.2 | 178.9 | -79.9 | -173.7 | 74.7 | 176.3 | 4.3 | 114.1 | V7 S248 Y285 D289 E294 L295 | V7-R292 HydrophobicContact CG1-CG 4.45Å; S248-R292 PolarHBondContact OG-NH2 3.01Å; S248-R292 VanDerWaalsContact OG-NH2 3.09Å; Y285-R292 CarbonylContact O-C 3.58Å; Y285-R292 WeakPolarHBondContact O-CB 3.28Å; D289-R292 HydrophobicContact CB-CB 4.1Å; D289-R292 HydrophobicContact CB-CG 3.88Å; D289-R292 PolarHBondContact O-N 2.93Å; R292-E294 PolarHBondContact O-N 2.87Å; R292-E294 VanDerWaalsContact O-N 3.12Å; R292-L295 WeakPolarHBondContact O-CB 3.47Å; R292-L295 WeakPolarHBondContact O-CG 3.29Å; R292-L295 PolarHBondContact O-N 3.33Å |
| 293 | V | 94.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -60.8 | -19.3 | 174.4 | 81.4 | 0 | 0 | 0 | 0 | 113.1 | F119 V122 K130 L131 Y285 L290 D291 L295 A296 | F119-V293 HydrophobicContact CD1-CG2 4.48Å; V122-V293 HydrophobicContact CG2-CG2 3.82Å; K130-V293 HydrophobicContact CB-CG1 3.47Å; K130-V293 VanDerWaalsContact CB-CG1 3.47Å; K130-V293 HydrophobicContact CG-CG1 3.97Å; L131-V293 HydrophobicContact CD1-CB 4.47Å; L131-V293 HydrophobicContact CD1-CG1 3.88Å; L131-V293 HydrophobicContact CD1-CG2 3.8Å; L131-V293 HydrophobicContact CD2-CG2 4.43Å; L131-V293 HydrophobicContact CG-CG2 4.43Å; Y285-V293 PolarHBondContact O-N 3.06Å; L290-V293 WeakPolarHBondContact O-CG1 3.14Å; D291-V293 PolarHBondContact O-N 2.75Å; V293-L295 PolarHBondContact O-N 2.83Å; V293-A296 VanDerWaalsContact O-CB 3.25Å; V293-A296 WeakPolarHBondContact O-CB 3.07Å; V293-A296 PolarHBondContact O-N 3.33Å |
| 294 | E | 95.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 30.3 Ų | 30.3 | 21% | 0.21 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -57.7 | -27.6 | 172.9 | -165.9 | 174.2 | -127.2 | 0 | 0 | 112.2 | S6 V7 K130 D291 R292 A296 D297 | S6-E294 WeakPolarHBondContact CA-OE2 3.32Å; S6-E294 VanDerWaalsContact CB-OE2 3.24Å; S6-E294 WeakPolarHBondContact CB-OE2 3.2Å; S6-E294 PolarHBondContact OG-OE1 3.48Å; S6-E294 PolarHBondContact OG-OE2 3.29Å; V7-E294 HydrophobicContact CG2-CB 3.89Å; V7-E294 WeakPolarHBondContact CG2-OE2 2.91Å; V7-E294 PolarHBondContact N-OE2 3.16Å; K130-E294 HydrophobicContact CD-CB 4.28Å; K130-E294 WeakPolarHBondContact O-CA 3.32Å; D291-E294 WeakPolarHBondContact O-CB 3.18Å; D291-E294 PolarHBondContact O-N 3.26Å; D291-E294 VanDerWaalsContact O-N 3.16Å; R292-E294 PolarHBondContact O-N 2.87Å; R292-E294 VanDerWaalsContact O-N 3.12Å; E294-A296 PolarHBondContact O-N 3.14Å; E294-D297 WeakPolarHBondContact O-CB 3.29Å; E294-D297 PolarHBondContact O-N 3.09Å |
| 295 | L | 95.4 | Very high | 92.8 | Very high | 31 Ų | 31 | 34.3 Ų | 34.3 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -66.5 | -19 | 175.2 | -61.2 | 175.1 | 0 | 0 | 0 | 113.4 | V7 A8 L10 Y285 R292 V293 | V7-L295 HydrophobicContact CG2-CD2 3.99Å; V7-L295 HydrophobicContact CG2-CG 3.91Å; A8-L295 WeakPolarHBondContact O-CD2 3.45Å; L10-L295 HydrophobicContact CB-CD1 4.27Å; L10-L295 HydrophobicContact CB-CD2 4.32Å; Y285-L295 HydrophobicContact CD2-CB 4.08Å; Y285-L295 HydrophobicContact CE2-CB 3.8Å; R292-L295 WeakPolarHBondContact O-CB 3.47Å; R292-L295 WeakPolarHBondContact O-CG 3.29Å; R292-L295 PolarHBondContact O-N 3.33Å; V293-L295 PolarHBondContact O-N 2.83Å |
| 296 | A | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -80.6 | -19.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | F119 L131 Y256 Y285 V293 E294 T300 | F119-A296 HydrophobicContact CE1-CB 4.16Å; L131-A296 HydrophobicContact CD2-CB 4.11Å; Y256-A296 HydrophobicContact CD1-CB 4.48Å; Y256-A296 HydrophobicContact CD2-CB 4.46Å; Y256-A296 HydrophobicContact CE1-CB 3.8Å; Y256-A296 HydrophobicContact CE2-CB 3.8Å; Y256-A296 VanDerWaalsContact CZ-CB 3.48Å; Y285-A296 HydrophobicContact CD2-CB 4.15Å; V293-A296 VanDerWaalsContact O-CB 3.25Å; V293-A296 WeakPolarHBondContact O-CB 3.07Å; V293-A296 PolarHBondContact O-N 3.33Å; E294-A296 PolarHBondContact O-N 3.14Å; A296-T300 WeakPolarHBondContact O-CB 3.47Å; A296-T300 PolarHBondContact O-N 3.42Å; A296-T300 PolarHBondContact O-OG1 3.47Å |
| 297 | D | 97.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -56.3 | -166 | -162.8 | 15.6 | 0 | 0 | 0 | 112.1 | L131 K132 E133 T134 E294 T300 V301 | L131-D297 VanDerWaalsContact C-CG 3.49Å; L131-D297 VanDerWaalsContact CA-OD1 3.28Å; L131-D297 WeakPolarHBondContact CA-OD1 3.31Å; K132-D297 PolarHBondContact N-OD1 3.12Å; K132-D297 PolarHBondContact N-OD2 2.7Å; E133-D297 PolarHBondContact N-OD1 3.4Å; E133-D297 PolarHBondContact N-OD2 3.43Å; T134-D297 VanDerWaalsContact CB-OD1 3.29Å; T134-D297 WeakPolarHBondContact CB-OD1 3.42Å; T134-D297 PolarHBondContact N-OD1 3.29Å; T134-D297 PolarHBondContact OG1-O 3.02Å; T134-D297 VanDerWaalsContact OG1-O 3.1Å; T134-D297 PolarHBondContact OG1-OD1 3.35Å; E294-D297 WeakPolarHBondContact O-CB 3.29Å; E294-D297 PolarHBondContact O-N 3.09Å; D297-T300 PolarHBondContact O-N 3.14Å; D297-V301 WeakPolarHBondContact O-CG2 3.49Å; D297-V301 PolarHBondContact O-N 3.32Å; D297-V301 VanDerWaalsContact O-N 3.07Å |
| 298 | G | 96.8 | Very high | 94.9 | Very high | 39 Ų | 39 | 37 Ų | 37 | 40% | 0.402 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.1 | -57.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T300 V301 E302 | G298-T300 PolarHBondContact O-N 2.94Å; G298-V301 WeakPolarHBondContact O-CB 3.34Å; G298-V301 PolarHBondContact O-N 2.67Å; G298-V301 VanDerWaalsContact O-N 3.1Å; G298-E302 PolarHBondContact O-N 3.32Å |
| 299 | P | 97.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 16% | 0.162 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.3 | -33.2 | 179.1 | -28.2 | 36.4 | 0 | 0 | 0 | 114.2 | Y256 Q257 L260 E302 H303 | Y256-P299 HydrophobicContact CD1-CB 3.9Å; Y256-P299 HydrophobicContact CD1-CG 4.45Å; Y256-P299 HydrophobicContact CE1-CB 3.95Å; Q257-P299 HydrophobicContact CG-CB 3.89Å; Q257-P299 HydrophobicContact CG-CG 4.16Å; L260-P299 HydrophobicContact CD1-CB 4.12Å; P299-E302 PolarHBondContact O-N 2.96Å; P299-H303 WeakPolarHBondContact O-CB 3.24Å; P299-H303 PolarHBondContact O-N 2.83Å |
| 300 | T | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70 | -40.1 | 176.6 | -54 | 0 | 0 | 0 | 0 | 111.5 | L117 F119 T134 Y256 A296 D297 G298 E302 H303 L304 | L117-T300 HydrophobicContact CD2-CG2 4.1Å; F119-T300 HydrophobicContact CZ-CG2 4.01Å; T134-T300 HydrophobicContact CG2-CG2 3.55Å; Y256-T300 PolarHBondContact OH-OG1 3.17Å; A296-T300 WeakPolarHBondContact O-CB 3.47Å; A296-T300 PolarHBondContact O-N 3.42Å; A296-T300 PolarHBondContact O-OG1 3.47Å; D297-T300 PolarHBondContact O-N 3.14Å; G298-T300 PolarHBondContact O-N 2.94Å; T300-E302 VanDerWaalsContact C-N 3.33Å; T300-E302 PolarHBondContact O-N 3.34Å; T300-H303 WeakPolarHBondContact O-CB 3.09Å; T300-H303 PolarHBondContact O-N 2.97Å; T300-L304 HydrophobicContact CG2-CD1 4.4Å; T300-L304 VanDerWaalsContact O-CG 3.32Å; T300-L304 WeakPolarHBondContact O-CG 3.36Å; T300-L304 PolarHBondContact O-N 3.32Å |
| 301 | V | 98.7 | Very high | 96.9 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 173.4 | 172.4 | 0 | 0 | 0 | 0 | 111 | E133 D297 G298 H303 L304 K305 | E133-V301 VanDerWaalsContact C-CG2 3.49Å; E133-V301 HydrophobicContact CB-CG2 3.85Å; D297-V301 WeakPolarHBondContact O-CG2 3.49Å; D297-V301 PolarHBondContact O-N 3.32Å; D297-V301 VanDerWaalsContact O-N 3.07Å; G298-V301 WeakPolarHBondContact O-CB 3.34Å; G298-V301 PolarHBondContact O-N 2.67Å; G298-V301 VanDerWaalsContact O-N 3.1Å; V301-H303 VanDerWaalsContact C-N 3.32Å; V301-H303 PolarHBondContact O-N 2.93Å; V301-L304 PolarHBondContact O-N 3.23Å; V301-K305 HydrophobicContact CG1-CD 4.14Å; V301-K305 HydrophobicContact CG1-CG 4.48Å; V301-K305 WeakPolarHBondContact O-CB 3.25Å; V301-K305 WeakPolarHBondContact O-CG 3.27Å; V301-K305 PolarHBondContact O-N 3.07Å |
| 302 | E | 98.6 | Very high | 97.3 | Very high | 119 Ų | 119 | 43.1 Ų | 43.1 | 56% | 0.556 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.2 | -43.1 | 176.5 | -69.8 | 174.9 | 174.2 | 0 | 0 | 111.6 | G298 P299 T300 K305 F306 | G298-E302 PolarHBondContact O-N 3.32Å; P299-E302 PolarHBondContact O-N 2.96Å; T300-E302 VanDerWaalsContact C-N 3.33Å; T300-E302 PolarHBondContact O-N 3.34Å; E302-K305 PolarHBondContact O-N 2.95Å; E302-F306 PolarHBondContact O-N 2.63Å |
| 303 | H | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.5 | -174.2 | 75.9 | 0 | 0 | 0 | 112.8 | Y115 L260 E264 P299 T300 V301 K305 F306 F307 | Y115-H303 AromaticContact CE1-NE2 3.48Å; Y115-H303 WeakPolarHBondContact CE1-NE2 3.42Å; Y115-H303 AromaticContact CZ-NE2 3.53Å; Y115-H303 PolarHBondContact OH-NE2 3.1Å; L260-H303 HydrophobicContact CD1-CB 4.03Å; L260-H303 HydrophobicContact CD2-CB 4.21Å; L260-H303 PolarHBondContact O-CE1 2.66Å; E264-H303 VanDerWaalsContact CG-ND1 3.35Å; E264-H303 WeakPolarHBondContact CG-ND1 3.46Å; E264-H303 IonicContact OE1-CE1 3.74Å; E264-H303 IonicContact OE1-CG 3.79Å; E264-H303 IonicContact OE1-ND1 2.83Å; E264-H303 PolarHBondContact OE1-ND1 2.93Å; P299-H303 WeakPolarHBondContact O-CB 3.24Å; P299-H303 PolarHBondContact O-N 2.83Å; T300-H303 WeakPolarHBondContact O-CB 3.09Å; T300-H303 PolarHBondContact O-N 2.97Å; V301-H303 VanDerWaalsContact C-N 3.32Å; V301-H303 PolarHBondContact O-N 2.93Å; H303-K305 VanDerWaalsContact C-N 3.34Å; H303-K305 PolarHBondContact O-N 2.99Å; H303-F306 WeakPolarHBondContact O-CB 3.25Å; H303-F306 PolarHBondContact O-N 2.67Å; H303-F307 AromaticContact CE1-CE2 3.43Å; H303-F307 VanDerWaalsContact CE1-CE2 3.43Å; H303-F307 WeakPolarHBondContact CE1-CE2 3.39Å; H303-F307 AromaticContact NE2-CD2 3.83Å; H303-F307 AromaticContact NE2-CE2 3.39Å; H303-F307 WeakPolarHBondContact NE2-CE2 3.49Å; H303-F307 WeakPolarHBondContact O-CD2 3.29Å; H303-F307 PolarHBondContact O-N 3.15Å; H303-F307 VanDerWaalsContact O-N 3.11Å |
| 304 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 176.9 | -69 | 176.3 | 0 | 0 | 0 | 111.8 | L117 T134 I138 L142 T300 V301 F307 Q308 L318 | L117-L304 HydrophobicContact CD2-CD2 4.45Å; T134-L304 HydrophobicContact CG2-CD1 4.11Å; I138-L304 HydrophobicContact CD1-CD1 4.31Å; I138-L304 HydrophobicContact CG1-CD1 3.77Å; L142-L304 HydrophobicContact CD1-CB 4.24Å; L142-L304 HydrophobicContact CD1-CD1 4.43Å; L142-L304 HydrophobicContact CD1-CD2 4.27Å; T300-L304 HydrophobicContact CG2-CD1 4.4Å; T300-L304 VanDerWaalsContact O-CG 3.32Å; T300-L304 WeakPolarHBondContact O-CG 3.36Å; T300-L304 PolarHBondContact O-N 3.32Å; V301-L304 PolarHBondContact O-N 3.23Å; L304-F307 PolarHBondContact O-N 2.77Å; L304-Q308 PolarHBondContact O-N 3.39Å; L304-L318 HydrophobicContact CD2-CD2 3.68Å |
| 305 | K | 98.7 | Very high | 97.8 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 39% | 0.391 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 173.7 | -74.9 | 175.2 | 178.6 | 176.2 | 0 | 111.8 | V301 E302 H303 F307 Q308 E309 | V301-K305 HydrophobicContact CG1-CD 4.14Å; V301-K305 HydrophobicContact CG1-CG 4.48Å; V301-K305 WeakPolarHBondContact O-CB 3.25Å; V301-K305 WeakPolarHBondContact O-CG 3.27Å; V301-K305 PolarHBondContact O-N 3.07Å; E302-K305 PolarHBondContact O-N 2.95Å; H303-K305 VanDerWaalsContact C-N 3.34Å; H303-K305 PolarHBondContact O-N 2.99Å; K305-F307 VanDerWaalsContact C-N 3.29Å; K305-F307 PolarHBondContact O-N 2.74Å; K305-Q308 WeakPolarHBondContact O-CB 3.17Å; K305-Q308 PolarHBondContact O-N 3.21Å; K305-Q308 VanDerWaalsContact O-N 3.09Å; K305-E309 WeakPolarHBondContact O-CB 3.49Å; K305-E309 VanDerWaalsContact O-CG 3.32Å; K305-E309 WeakPolarHBondContact O-CG 3.2Å; K305-E309 PolarHBondContact O-N 3.26Å |
| 306 | F | 98.7 | Very high | 98 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 19% | 0.193 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.8 | -46.8 | 174.9 | 170.2 | -90.7 | 0 | 0 | 0 | 111.4 | E264 E302 H303 Q308 E309 K310 F312 | E264-F306 HydrophobicContact CB-CD1 4.09Å; E264-F306 HydrophobicContact CB-CE1 3.55Å; E264-F306 HydrophobicContact CB-CZ 3.85Å; E264-F306 HydrophobicContact CG-CD1 3.67Å; E264-F306 HydrophobicContact CG-CE1 3.67Å; E264-F306 HydrophobicContact CG-CG 4.31Å; E264-F306 HydrophobicContact CG-CZ 4.31Å; E302-F306 PolarHBondContact O-N 2.63Å; H303-F306 WeakPolarHBondContact O-CB 3.25Å; H303-F306 PolarHBondContact O-N 2.67Å; F306-Q308 VanDerWaalsContact C-N 3.33Å; F306-Q308 PolarHBondContact O-N 2.96Å; F306-E309 PolarHBondContact O-N 3.43Å; F306-K310 HydrophobicContact CD2-CG 4Å; F306-K310 HydrophobicContact CE1-CG 4.39Å; F306-K310 HydrophobicContact CE2-CD 4.43Å; F306-K310 HydrophobicContact CE2-CG 3.76Å; F306-K310 HydrophobicContact CG-CG 4.42Å; F306-K310 HydrophobicContact CZ-CG 3.98Å; F306-K310 VanDerWaalsContact O-CB 3.28Å; F306-K310 WeakPolarHBondContact O-CB 3.43Å; F306-K310 VanDerWaalsContact O-CG 3.3Å; F306-K310 WeakPolarHBondContact O-CG 3.48Å; F306-K310 PolarHBondContact O-N 3.5Å; F306-F312 HydrophobicContact CD1-CD2 4.44Å; F306-F312 HydrophobicContact CD1-CE2 4.41Å; F306-F312 AromaticContact CE1-CD2 3.93Å; F306-F312 HydrophobicContact CE1-CD2 3.93Å; F306-F312 AromaticContact CE1-CE2 3.53Å; F306-F312 HydrophobicContact CE1-CE2 3.53Å; F306-F312 AromaticContact CZ-CE2 3.81Å; F306-F312 HydrophobicContact CZ-CE2 3.81Å |
| 307 | F | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -37.2 | 177 | -92.1 | -99.4 | 0 | 0 | 0 | 113.2 | Y115 V263 E264 F267 H303 L304 K305 G311 F312 L313 | Y115-F307 HydrophobicContact CD1-CD1 4.42Å; Y115-F307 AromaticContact CD1-CE1 3.79Å; Y115-F307 HydrophobicContact CD1-CE1 3.79Å; Y115-F307 HydrophobicContact CD1-CE2 4.46Å; Y115-F307 AromaticContact CD1-CZ 3.83Å; Y115-F307 HydrophobicContact CD1-CZ 3.83Å; Y115-F307 HydrophobicContact CE1-CE1 4.07Å; Y115-F307 AromaticContact CE1-CE2 3.91Å; Y115-F307 HydrophobicContact CE1-CE2 3.91Å; Y115-F307 AromaticContact CE1-CZ 3.67Å; Y115-F307 HydrophobicContact CE1-CZ 3.67Å; V263-F307 HydrophobicContact CG1-CZ 4.11Å; E264-F307 HydrophobicContact CG-CE2 4.41Å; F267-F307 HydrophobicContact CB-CE1 4.33Å; F267-F307 HydrophobicContact CB-CZ 4.23Å; F267-F307 AromaticContact CD1-CE1 3.69Å; F267-F307 HydrophobicContact CD1-CE1 3.69Å; F267-F307 HydrophobicContact CD1-CZ 4.3Å; F267-F307 AromaticContact CD2-CE1 3.73Å; F267-F307 HydrophobicContact CD2-CE1 3.73Å; F267-F307 AromaticContact CD2-CZ 3.54Å; F267-F307 HydrophobicContact CD2-CZ 3.54Å; F267-F307 AromaticContact CE1-CE1 3.83Å; F267-F307 HydrophobicContact CE1-CE1 3.83Å; F267-F307 AromaticContact CE2-CE1 3.85Å; F267-F307 HydrophobicContact CE2-CE1 3.85Å; F267-F307 AromaticContact CE2-CZ 3.88Å; F267-F307 HydrophobicContact CE2-CZ 3.88Å; F267-F307 AromaticContact CG-CE1 3.63Å; F267-F307 HydrophobicContact CG-CE1 3.63Å; F267-F307 AromaticContact CG-CZ 3.76Å; F267-F307 HydrophobicContact CG-CZ 3.76Å; F267-F307 AromaticContact CZ-CE1 3.91Å; F267-F307 HydrophobicContact CZ-CE1 3.91Å; F267-F307 HydrophobicContact CZ-CZ 4.41Å; H303-F307 AromaticContact CE1-CE2 3.43Å; H303-F307 VanDerWaalsContact CE1-CE2 3.43Å; H303-F307 WeakPolarHBondContact CE1-CE2 3.39Å; H303-F307 AromaticContact NE2-CD2 3.83Å; H303-F307 AromaticContact NE2-CE2 3.39Å; H303-F307 WeakPolarHBondContact NE2-CE2 3.49Å; H303-F307 WeakPolarHBondContact O-CD2 3.29Å; H303-F307 PolarHBondContact O-N 3.15Å; H303-F307 VanDerWaalsContact O-N 3.11Å; L304-F307 PolarHBondContact O-N 2.77Å; K305-F307 VanDerWaalsContact C-N 3.29Å; K305-F307 PolarHBondContact O-N 2.74Å; F307-G311 PolarHBondContact O-N 3.45Å; F307-F312 HydrophobicContact CD1-CB 3.56Å; F307-F312 HydrophobicContact CD1-CD2 4.25Å; F307-F312 HydrophobicContact CD1-CG 4.33Å; F307-F312 HydrophobicContact CE1-CB 4.08Å; F307-F312 HydrophobicContact CE1-CD2 4.48Å; F307-F312 HydrophobicContact CG-CB 4.3Å; F307-F312 HydrophobicContact CG-CD2 4.48Å; F307-F312 PolarHBondContact O-N 2.82Å; F307-L313 HydrophobicContact CB-CD2 3.95Å; F307-L313 HydrophobicContact CB-CG 4Å; F307-L313 HydrophobicContact CD1-CD2 4.36Å; F307-L313 PolarHBondContact O-N 3.45Å |
| 308 | Q | 98.2 | Very high | 98.2 | Very high | 83 Ų | 83 | 40 Ų | 40 | 39% | 0.388 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.1 | -52.2 | 176.4 | -174 | 179.8 | 7.6 | 0 | 0 | 111.6 | L142 L304 K305 F306 G311 L313 | L142-Q308 HydrophobicContact CD2-CB 4.4Å; L142-Q308 HydrophobicContact CD2-CG 4.32Å; L304-Q308 PolarHBondContact O-N 3.39Å; K305-Q308 WeakPolarHBondContact O-CB 3.17Å; K305-Q308 PolarHBondContact O-N 3.21Å; K305-Q308 VanDerWaalsContact O-N 3.09Å; F306-Q308 VanDerWaalsContact C-N 3.33Å; F306-Q308 PolarHBondContact O-N 2.96Å; Q308-G311 WeakPolarHBondContact O-CA 3.41Å; Q308-G311 PolarHBondContact O-N 3.16Å; Q308-L313 HydrophobicContact CB-CD1 3.93Å; Q308-L313 HydrophobicContact CG-CD1 4.46Å |
| 309 | E | 98.2 | Very high | 98.3 | Very high | 157 Ų | 157 | 38.1 Ų | 38.1 | 73% | 0.734 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -68.5 | -36.1 | -174.4 | -70.2 | 173.1 | -173.8 | 0 | 0 | 112.6 | K305 F306 G311 | K305-E309 WeakPolarHBondContact O-CB 3.49Å; K305-E309 VanDerWaalsContact O-CG 3.32Å; K305-E309 WeakPolarHBondContact O-CG 3.2Å; K305-E309 PolarHBondContact O-N 3.26Å; F306-E309 PolarHBondContact O-N 3.43Å; E309-G311 PolarHBondContact O-N 2.88Å |
| 310 | K | 97.7 | Very high | 98.4 | Very high | 129 Ų | 129 | 37 Ų | 37 | 56% | 0.561 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 0.1 | 171.3 | -63.3 | -63.7 | -173.5 | -179.2 | 0 | 113 | R272 F306 F312 | R272-K310 PolarHBondContact NH1-O 3.14Å; F306-K310 HydrophobicContact CD2-CG 4Å; F306-K310 HydrophobicContact CE1-CG 4.39Å; F306-K310 HydrophobicContact CE2-CD 4.43Å; F306-K310 HydrophobicContact CE2-CG 3.76Å; F306-K310 HydrophobicContact CG-CG 4.42Å; F306-K310 HydrophobicContact CZ-CG 3.98Å; F306-K310 VanDerWaalsContact O-CB 3.28Å; F306-K310 WeakPolarHBondContact O-CB 3.43Å; F306-K310 VanDerWaalsContact O-CG 3.3Å; F306-K310 WeakPolarHBondContact O-CG 3.48Å; F306-K310 PolarHBondContact O-N 3.5Å; K310-F312 HydrophobicContact CB-CD2 3.52Å; K310-F312 HydrophobicContact CB-CE2 3.38Å; K310-F312 HydrophobicContact CB-CG 4.19Å; K310-F312 HydrophobicContact CB-CZ 3.96Å; K310-F312 HydrophobicContact CG-CD2 4.36Å; K310-F312 HydrophobicContact CG-CE2 3.88Å; K310-F312 PolarHBondContact O-N 2.99Å |
| 311 | G | 97.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 37 Ų | 37 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 18.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R272 F307 Q308 E309 L313 N314 | R272-G311 VanDerWaalsContact NH1-C 3.31Å; R272-G311 PolarHBondContact NH1-O 3.33Å; R272-G311 PolarHBondContact NH2-O 3.42Å; F307-G311 PolarHBondContact O-N 3.45Å; Q308-G311 WeakPolarHBondContact O-CA 3.41Å; Q308-G311 PolarHBondContact O-N 3.16Å; E309-G311 PolarHBondContact O-N 2.88Å; G311-L313 VanDerWaalsContact C-N 3.27Å; G311-L313 PolarHBondContact O-N 3.34Å; G311-N314 WeakPolarHBondContact O-CB 3.22Å; G311-N314 PolarHBondContact O-N 3.49Å |
| 312 | F | 98.4 | Very high | 98.3 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -66.4 | -31.2 | 178 | -66.8 | -49.2 | 0 | 0 | 0 | 111.6 | F267 R272 F306 F307 K310 N314 D315 T316 | F267-F312 HydrophobicContact CB-CD1 4.23Å; F267-F312 HydrophobicContact CB-CD2 4.1Å; F267-F312 HydrophobicContact CB-CE1 4.16Å; F267-F312 HydrophobicContact CB-CE2 4.02Å; F267-F312 HydrophobicContact CB-CG 4.24Å; F267-F312 HydrophobicContact CB-CZ 4.06Å; F267-F312 HydrophobicContact CD1-CB 4.26Å; F267-F312 HydrophobicContact CD1-CD1 4.24Å; F267-F312 HydrophobicContact CD1-CG 4.22Å; F267-F312 VanDerWaalsContact O-CE1 3.27Å; F267-F312 WeakPolarHBondContact O-CE1 3.43Å; F267-F312 WeakPolarHBondContact O-CZ 3.43Å; R272-F312 VanDerWaalsContact NH1-CD1 3.33Å; F306-F312 HydrophobicContact CD1-CD2 4.44Å; F306-F312 HydrophobicContact CD1-CE2 4.41Å; F306-F312 AromaticContact CE1-CD2 3.93Å; F306-F312 HydrophobicContact CE1-CD2 3.93Å; F306-F312 AromaticContact CE1-CE2 3.53Å; F306-F312 HydrophobicContact CE1-CE2 3.53Å; F306-F312 AromaticContact CZ-CE2 3.81Å; F306-F312 HydrophobicContact CZ-CE2 3.81Å; F307-F312 HydrophobicContact CD1-CB 3.56Å; F307-F312 HydrophobicContact CD1-CD2 4.25Å; F307-F312 HydrophobicContact CD1-CG 4.33Å; F307-F312 HydrophobicContact CE1-CB 4.08Å; F307-F312 HydrophobicContact CE1-CD2 4.48Å; F307-F312 HydrophobicContact CG-CB 4.3Å; F307-F312 HydrophobicContact CG-CD2 4.48Å; F307-F312 PolarHBondContact O-N 2.82Å; K310-F312 HydrophobicContact CB-CD2 3.52Å; K310-F312 HydrophobicContact CB-CE2 3.38Å; K310-F312 HydrophobicContact CB-CG 4.19Å; K310-F312 HydrophobicContact CB-CZ 3.96Å; K310-F312 HydrophobicContact CG-CD2 4.36Å; K310-F312 HydrophobicContact CG-CE2 3.88Å; K310-F312 PolarHBondContact O-N 2.99Å; F312-N314 PolarHBondContact O-N 3.42Å; F312-D315 PolarHBondContact O-N 2.89Å; F312-D315 VanDerWaalsContact O-N 3.15Å; F312-T316 WeakPolarHBondContact O-CB 3.33Å; F312-T316 PolarHBondContact O-OG1 3.45Å |
| 313 | L | 98.2 | Very high | 98.2 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.073 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -63 | -20.4 | 175.4 | -62.8 | -176.4 | 0 | 0 | 0 | 113.7 | L142 F307 Q308 G311 D315 T316 L318 P351 | L142-L313 HydrophobicContact CD1-CD1 4.15Å; L142-L313 HydrophobicContact CD2-CD1 3.63Å; L142-L313 HydrophobicContact CG-CD1 4.49Å; F307-L313 HydrophobicContact CB-CD2 3.95Å; F307-L313 HydrophobicContact CB-CG 4Å; F307-L313 HydrophobicContact CD1-CD2 4.36Å; F307-L313 PolarHBondContact O-N 3.45Å; Q308-L313 HydrophobicContact CB-CD1 3.93Å; Q308-L313 HydrophobicContact CG-CD1 4.46Å; G311-L313 VanDerWaalsContact C-N 3.27Å; G311-L313 PolarHBondContact O-N 3.34Å; L313-D315 PolarHBondContact O-N 3.39Å; L313-T316 PolarHBondContact O-N 2.99Å; L313-L318 HydrophobicContact CD2-CB 4.4Å; L313-L318 HydrophobicContact CD2-CD2 3.95Å; L313-P351 WeakPolarHBondContact O-CA 3.29Å |
| 314 | N | 97.1 | Very high | 97.9 | Very high | 74 Ų | 74 | 30.8 Ų | 30.8 | 40% | 0.396 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -65.6 | -18.3 | 175.4 | -74 | -23 | 0 | 0 | 0 | 113.5 | G311 F312 P352 W353 | G311-N314 WeakPolarHBondContact O-CB 3.22Å; G311-N314 PolarHBondContact O-N 3.49Å; F312-N314 PolarHBondContact O-N 3.42Å; N314-P352 WeakPolarHBondContact OD1-CD 3.43Å; N314-W353 PolarHBondContact O-NE1 3.17Å |
| 315 | D | 97.1 | Very high | 97.6 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -124.3 | 13.7 | -178.6 | -66.3 | -48.4 | 0 | 0 | 0 | 112.3 | R110 N113 R272 F312 L313 | R110-D315 IonicContact CZ-OD1 3.42Å; R110-D315 IonicContact CZ-OD2 3.69Å; R110-D315 IonicContact NE-OD1 3.52Å; R110-D315 IonicContact NH2-OD1 2.81Å; R110-D315 PolarHBondContact NH2-OD1 2.83Å; R110-D315 IonicContact NH2-OD2 2.67Å; R110-D315 PolarHBondContact NH2-OD2 2.79Å; N113-D315 WeakPolarHBondContact CB-O 3.46Å; N113-D315 PolarHBondContact N-O 3.26Å; N113-D315 PolarHBondContact ND2-O 2.8Å; R272-D315 IonicContact CZ-OD2 3.49Å; R272-D315 VanDerWaalsContact CZ-OD2 3.27Å; R272-D315 IonicContact NE-OD2 3.2Å; R272-D315 PolarHBondContact NE-OD2 3.24Å; R272-D315 IonicContact NH2-OD2 3.98Å; R272-D315 PolarHBondContact NH2-OD2 3.48Å; F312-D315 PolarHBondContact O-N 2.89Å; F312-D315 VanDerWaalsContact O-N 3.15Å; L313-D315 PolarHBondContact O-N 3.39Å |
| 316 | T | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.3 | -167.6 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | N113 F267 F312 L313 L318 P351 | N113-T316 HydrophobicContact CB-CG2 4.01Å; N113-T316 WeakPolarHBondContact CB-OG1 3.21Å; N113-T316 PolarHBondContact ND2-OG1 3.23Å; N113-T316 WeakPolarHBondContact O-CA 3.26Å; F267-T316 HydrophobicContact CE1-CG2 4.4Å; F267-T316 HydrophobicContact CZ-CG2 4.45Å; F312-T316 WeakPolarHBondContact O-CB 3.33Å; F312-T316 PolarHBondContact O-OG1 3.45Å; L313-T316 PolarHBondContact O-N 2.99Å; T316-L318 HydrophobicContact CG2-CB 4.43Å; T316-P351 WeakPolarHBondContact O-CD 3.45Å |
| 317 | V | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 107.7 | 158.4 | 177.3 | 0 | 0 | 0 | 0 | 107.2 | L112 N113 Y115 I319 I348 L350 L385 | L112-V317 HydrophobicContact CD1-CG2 4Å; N113-V317 PolarHBondContact O-N 2.83Å; Y115-V317 PolarHBondContact N-O 2.97Å; V317-I319 HydrophobicContact CG1-CG1 4.41Å; V317-I348 HydrophobicContact CG1-CD1 4.05Å; V317-I348 HydrophobicContact CG1-CG1 4.18Å; V317-L350 HydrophobicContact CG1-CD2 4.15Å; V317-L350 HydrophobicContact CG2-CD2 4.17Å; V317-L385 HydrophobicContact CB-CD1 4.2Å; V317-L385 HydrophobicContact CG1-CD1 4.49Å; V317-L385 HydrophobicContact CG2-CD1 3.96Å; V317-L385 HydrophobicContact CG2-CD2 4.16Å |
| 318 | L | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.3 | 179.8 | 168 | 61.1 | 0 | 0 | 0 | 109.4 | Y115 L117 L304 L313 T316 V320 I349 | Y115-L318 HydrophobicContact CD1-CD1 3.53Å; Y115-L318 HydrophobicContact CE1-CD1 4.01Å; Y115-L318 HydrophobicContact CG-CD1 3.88Å; Y115-L318 CarbonylContact O-C 3.55Å; Y115-L318 WeakPolarHBondContact O-CA 3.3Å; Y115-L318 WeakPolarHBondContact O-CD1 3.48Å; L117-L318 HydrophobicContact CB-CD1 4.22Å; L304-L318 HydrophobicContact CD2-CD2 3.68Å; L313-L318 HydrophobicContact CD2-CB 4.4Å; L313-L318 HydrophobicContact CD2-CD2 3.95Å; T316-L318 HydrophobicContact CG2-CB 4.43Å; L318-V320 HydrophobicContact CD1-CG2 4.19Å; L318-V320 HydrophobicContact CD2-CG2 4.33Å; L318-V320 HydrophobicContact CG-CG2 4.1Å; L318-I349 HydrophobicContact CB-CB 4.17Å; L318-I349 HydrophobicContact CD2-CD1 3.71Å; L318-I349 HydrophobicContact CG-CD1 4.04Å; L318-I349 PolarHBondContact N-O 3.05Å; L318-I349 PolarHBondContact O-N 3.15Å |
| 319 | I | 98.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 107.9 | 176.2 | -63.9 | 162.9 | 0 | 0 | 0 | 107.4 | Y115 F116 L117 V317 F321 V346 S347 I348 V382 | Y115-I319 PolarHBondContact O-N 2.82Å; F116-I319 WeakPolarHBondContact CA-O 3.16Å; F116-I319 HydrophobicContact CD1-CB 3.84Å; F116-I319 HydrophobicContact CD1-CD1 4.22Å; F116-I319 HydrophobicContact CD1-CG2 3.76Å; F116-I319 HydrophobicContact CE1-CB 3.93Å; F116-I319 HydrophobicContact CE1-CD1 3.51Å; F116-I319 HydrophobicContact CE1-CG1 4.33Å; F116-I319 HydrophobicContact CE1-CG2 3.75Å; F116-I319 HydrophobicContact CE2-CD1 3.98Å; F116-I319 HydrophobicContact CG-CB 4.37Å; F116-I319 HydrophobicContact CZ-CD1 3.37Å; L117-I319 PolarHBondContact N-O 3.08Å; V317-I319 HydrophobicContact CG1-CG1 4.41Å; I319-F321 HydrophobicContact CG2-CB 4.17Å; I319-V346 HydrophobicContact CG2-CG1 4.35Å; I319-S347 WeakPolarHBondContact CA-O 2.95Å; I319-I348 HydrophobicContact CG1-CG1 4.22Å; I319-V382 HydrophobicContact CD1-CG2 4.48Å |
| 320 | V | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.5 | 172.4 | -173 | 0 | 0 | 0 | 0 | 107.3 | L117 F119 F127 I138 L318 F345 V346 S347 I349 | L117-V320 HydrophobicContact CB-CG2 4.48Å; L117-V320 HydrophobicContact CD2-CG2 4.41Å; L117-V320 HydrophobicContact CG-CG1 4.49Å; L117-V320 CarbonylContact O-C 3.52Å; L117-V320 WeakPolarHBondContact O-CA 3.17Å; F119-V320 HydrophobicContact CE2-CG1 3.89Å; F127-V320 HydrophobicContact CE2-CG1 4.4Å; F127-V320 HydrophobicContact CZ-CG1 4.21Å; I138-V320 HydrophobicContact CD1-CB 4.04Å; I138-V320 HydrophobicContact CD1-CG1 3.92Å; I138-V320 HydrophobicContact CD1-CG2 3.96Å; L318-V320 HydrophobicContact CD1-CG2 4.19Å; L318-V320 HydrophobicContact CD2-CG2 4.33Å; L318-V320 HydrophobicContact CG-CG2 4.1Å; V320-F345 HydrophobicContact CB-CE1 4.26Å; V320-F345 HydrophobicContact CG1-CD1 4.44Å; V320-F345 HydrophobicContact CG1-CE1 4.02Å; V320-V346 CarbonylContact O-C 3.39Å; V320-V346 WeakPolarHBondContact O-CA 3.38Å; V320-S347 PolarHBondContact N-O 3.22Å; V320-S347 PolarHBondContact O-N 3.39Å; V320-S347 PolarHBondContact O-OG 3.49Å; V320-I349 HydrophobicContact CG2-CD1 4.25Å |
| 321 | F | 98.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 165 | -169.4 | 82.6 | -73.2 | 0 | 0 | 0 | 113.4 | F116 L117 G118 F119 L161 I164 F279 I319 F345 V346 | F116-F321 HydrophobicContact CB-CD1 4.22Å; F116-F321 HydrophobicContact CB-CE1 3.8Å; F116-F321 AromaticContact CD1-CD1 3.93Å; F116-F321 HydrophobicContact CD1-CD1 3.93Å; F116-F321 HydrophobicContact CD1-CE1 4.02Å; F116-F321 HydrophobicContact CG-CE1 4.41Å; L117-F321 PolarHBondContact O-N 2.82Å; G118-F321 CarbonylContact C-O 3.46Å; G118-F321 VanDerWaalsContact CA-O 3.22Å; G118-F321 WeakPolarHBondContact CA-O 3.44Å; F119-F321 PolarHBondContact N-O 3.46Å; L161-F321 HydrophobicContact CD2-CE2 3.67Å; L161-F321 HydrophobicContact CD2-CZ 4.03Å; I164-F321 HydrophobicContact CD1-CD2 4.12Å; I164-F321 HydrophobicContact CD1-CE2 4.01Å; F279-F321 HydrophobicContact CE1-CZ 4.18Å; F279-F321 HydrophobicContact CE2-CE1 4.26Å; F279-F321 HydrophobicContact CE2-CZ 4.03Å; F279-F321 HydrophobicContact CZ-CE1 4.11Å; F279-F321 HydrophobicContact CZ-CE2 4.34Å; F279-F321 AromaticContact CZ-CZ 3.49Å; F279-F321 HydrophobicContact CZ-CZ 3.49Å; F279-F321 VanDerWaalsContact CZ-CZ 3.49Å; I319-F321 HydrophobicContact CG2-CB 4.17Å; F321-F345 CarbonylContact C-O 3.56Å; F321-F345 VanDerWaalsContact CA-O 3.29Å; F321-F345 WeakPolarHBondContact CA-O 3.49Å; F321-V346 HydrophobicContact CB-CB 4.48Å; F321-V346 HydrophobicContact CB-CG1 4.13Å; F321-V346 HydrophobicContact CB-CG2 4.11Å |
| 322 | S | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.2 | 166 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | F119 V122 P344 F345 | F119-S322 WeakPolarHBondContact O-CA 3.5Å; F119-S322 WeakPolarHBondContact O-CB 3.43Å; F119-S322 PolarHBondContact O-OG 2.85Å; V122-S322 WeakPolarHBondContact O-CB 3.49Å; V122-S322 PolarHBondContact O-OG 2.97Å; S322-P344 VanDerWaalsContact O-CB 3.3Å; S322-P344 WeakPolarHBondContact O-CB 3.07Å; S322-F345 PolarHBondContact N-O 3.41Å |
| 323 | D | 95.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -74.6 | -45.8 | -176.4 | 59.5 | -16.5 | 0 | 0 | 0 | 112.2 | F119 D120 T157 A160 L161 I281 | F119-D323 PolarHBondContact O-N 2.94Å; D120-D323 WeakPolarHBondContact CA-OD1 3.39Å; T157-D323 VanDerWaalsContact CA-OD2 3.31Å; T157-D323 WeakPolarHBondContact CA-OD2 3.25Å; T157-D323 WeakPolarHBondContact CB-OD2 3.42Å; T157-D323 HydrophobicContact CG2-CB 4.38Å; T157-D323 VanDerWaalsContact CG2-OD2 3.29Å; T157-D323 WeakPolarHBondContact CG2-OD2 3.35Å; T157-D323 PolarHBondContact OG1-OD2 2.66Å; A160-D323 HydrophobicContact CB-CB 3.72Å; A160-D323 VanDerWaalsContact CB-O 3.31Å; A160-D323 WeakPolarHBondContact CB-O 3.3Å; L161-D323 HydrophobicContact CD2-CB 4.36Å; I281-D323 HydrophobicContact CD1-CB 4.49Å |
| 324 | H | 92.6 | Very high | 89.8 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.028 | 12% | 0.12 | C | C | . | . | trans | -159 | 176.5 | 174.2 | 54.9 | 85.5 | 0 | 0 | 0 | 110.1 | S121 V122 T152 G156 T157 R327 | S121-H324 CarbonylContact C-O 3.55Å; S121-H324 WeakPolarHBondContact CA-O 3.49Å; S121-H324 WeakPolarHBondContact CB-CE1 3.14Å; S121-H324 WeakPolarHBondContact CB-ND1 3.23Å; S121-H324 WeakPolarHBondContact CB-O 3.06Å; S121-H324 PolarHBondContact OG-CE1 2.85Å; V122-H324 PolarHBondContact N-O 2.83Å; T152-H324 HydrophobicContact CG2-CB 3.88Å; G156-H324 WeakPolarHBondContact CA-CD2 3.26Å; G156-H324 VanDerWaalsContact CA-NE2 3.29Å; G156-H324 WeakPolarHBondContact CA-NE2 3.31Å; T157-H324 PolarHBondContact N-CD2 3.1Å; T157-H324 VanDerWaalsContact N-CD2 3.35Å; T157-H324 PolarHBondContact N-NE2 3.19Å; H324-R327 WeakPolarHBondContact CE1-CD 3.5Å | ||
| 325 | G | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -88.5 | 179.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S121 R327 E341 | S121-G325 CarbonylContact O-C 3.3Å; G325-R327 PolarHBondContact O-N 2.78Å; G325-E341 PolarHBondContact N-O 3.05Å |
| 326 | S | 87 | Confident | 88.2 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 20% | 0.196 | 15% | 0.149 | C | C | . | . | trans | -56.4 | 129.6 | -175.5 | -177.7 | 0 | 0 | 0 | 0 | 113.6 | S121 S329 R332 | S121-S326 PolarHBondContact O-N 2.89Å; S326-S329 WeakPolarHBondContact CB-OG 3.21Å; S326-S329 WeakPolarHBondContact OG-CB 3.36Å; S326-S329 PolarHBondContact OG-N 3.1Å; S326-S329 PolarHBondContact OG-OG 3.07Å; S326-R332 VanDerWaalsContact O-CB 3.3Å; S326-R332 WeakPolarHBondContact O-CB 3.29Å; S326-R332 VanDerWaalsContact O-CD 3.27Å; S326-R332 WeakPolarHBondContact O-CD 3.31Å; S326-R332 VanDerWaalsContact O-CG 3.28Å; S326-R332 WeakPolarHBondContact O-CG 3.2Å | ||
| 327 | R | 79.2 | Confident | 87.5 | Confident | 43 Ų | 43 | 30.7 Ų | 30.7 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -93.2 | -26 | -178.3 | -66.6 | 174 | 68.8 | -152.3 | 0.9 | 115.2 | D155 H324 G325 R332 | D155-R327 IonicContact OD1-CZ 3.78Å; D155-R327 IonicContact OD1-NE 3.19Å; D155-R327 PolarHBondContact OD1-NE 3.04Å; D155-R327 IonicContact OD1-NH2 2.97Å; D155-R327 PolarHBondContact OD1-NH2 3.27Å; D155-R327 IonicContact OD2-CZ 2.68Å; D155-R327 IonicContact OD2-NH2 3.65Å; D155-R327 PolarHBondContact OD2-NH2 3.17Å; H324-R327 WeakPolarHBondContact CE1-CD 3.5Å; G325-R327 PolarHBondContact O-N 2.78Å; R327-R332 WeakPolarHBondContact O-CG 3.34Å |
| 328 | Y | 75 | Confident | 86.9 | Confident | 61 Ų | 61 | 31 Ų | 31 | 24% | 0.239 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -124.5 | -2.7 | -170.5 | -52.7 | -49.2 | 0 | 0 | 0 | 115.1 | R542 Y546 | Y328-R542 WeakPolarHBondContact CE1-O 3.35Å; Y328-Y546 PolarHBondContact OH-OH 3.44Å |
| 329 | S | 77 | Confident | 86.3 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -68.4 | 160.9 | -176.6 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | S326 L331 R332 | S326-S329 WeakPolarHBondContact CB-OG 3.21Å; S326-S329 WeakPolarHBondContact OG-CB 3.36Å; S326-S329 PolarHBondContact OG-N 3.1Å; S326-S329 PolarHBondContact OG-OG 3.07Å; S329-L331 PolarHBondContact O-N 3.24Å; S329-R332 WeakPolarHBondContact O-CB 3.37Å; S329-R332 PolarHBondContact O-N 3.36Å; S329-R332 PolarHBondContact OG-N 2.7Å; S329-R332 VanDerWaalsContact OG-N 3.1Å |
| 330 | A | 79.2 | Confident | 86 | Confident | 48 Ų | 48 | 34.7 Ų | 34.7 | 40% | 0.397 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -33.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | L3 R333 | L3-A330 HydrophobicContact CD2-CB 3.8Å; A330-R333 PolarHBondContact O-N 2.8Å |
| 331 | L | 80.3 | Confident | 85.6 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 10% | 0.099 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -46.1 | 174.9 | -178.1 | 65.5 | 0 | 0 | 0 | 111.5 | L3 S329 R333 T334 G337 | L3-L331 HydrophobicContact CB-CD1 4.44Å; L3-L331 HydrophobicContact CD1-CD1 4.06Å; S329-L331 PolarHBondContact O-N 3.24Å; L331-R333 PolarHBondContact O-N 3.08Å; L331-R333 VanDerWaalsContact O-N 3.11Å; L331-T334 WeakPolarHBondContact O-CB 3.05Å; L331-T334 WeakPolarHBondContact O-CG2 3.31Å; L331-T334 PolarHBondContact O-N 3.36Å; L331-T334 PolarHBondContact O-OG1 2.72Å; L331-G337 WeakPolarHBondContact O-CA 3.17Å |
| 332 | R | 82.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.2 | 179.1 | 173 | 53.8 | -176.1 | 86.1 | -10.9 | 114.1 | S326 R327 S329 T334 E341 E521 | S326-R332 VanDerWaalsContact O-CB 3.3Å; S326-R332 WeakPolarHBondContact O-CB 3.29Å; S326-R332 VanDerWaalsContact O-CD 3.27Å; S326-R332 WeakPolarHBondContact O-CD 3.31Å; S326-R332 VanDerWaalsContact O-CG 3.28Å; S326-R332 WeakPolarHBondContact O-CG 3.2Å; R327-R332 WeakPolarHBondContact O-CG 3.34Å; S329-R332 WeakPolarHBondContact O-CB 3.37Å; S329-R332 PolarHBondContact O-N 3.36Å; S329-R332 PolarHBondContact OG-N 2.7Å; S329-R332 VanDerWaalsContact OG-N 3.1Å; R332-T334 PolarHBondContact O-N 3.14Å; R332-E341 IonicContact CZ-OE1 3.71Å; R332-E341 IonicContact CZ-OE2 2.85Å; R332-E341 IonicContact NE-OE1 2.72Å; R332-E341 PolarHBondContact NE-OE1 2.69Å; R332-E341 IonicContact NE-OE2 3.34Å; R332-E341 PolarHBondContact NE-OE2 3.13Å; R332-E341 IonicContact NH2-OE1 3.94Å; R332-E341 PolarHBondContact NH2-OE1 2.86Å; R332-E341 IonicContact NH2-OE2 2.86Å; R332-E341 PolarHBondContact NH2-OE2 3.26Å; R332-E521 IonicContact CZ-OE1 3.91Å; R332-E521 IonicContact NH1-OE1 2.71Å; R332-E521 IonicContact NH2-OE1 3.55Å; R332-E521 PolarHBondContact NH2-OE1 2.96Å |
| 333 | R | 80 | Confident | 85.3 | Confident | 127 Ų | 127 | 37.1 Ų | 37.1 | 48% | 0.479 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -9.9 | 178.6 | -66.3 | -177.3 | -70.4 | 170 | -1.8 | 113.6 | A330 L331 | A330-R333 PolarHBondContact O-N 2.8Å; L331-R333 PolarHBondContact O-N 3.08Å; L331-R333 VanDerWaalsContact O-N 3.11Å |
| 334 | T | 80.4 | Confident | 85.4 | Confident | 49 Ų | 49 | 37.2 Ų | 37.2 | 30% | 0.301 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -86 | 161 | 174.8 | 72.4 | 0 | 0 | 0 | 0 | 111.8 | L3 L331 R332 Q336 G337 K338 | L3-T334 HydrophobicContact CD1-CG2 4.35Å; L331-T334 WeakPolarHBondContact O-CB 3.05Å; L331-T334 WeakPolarHBondContact O-CG2 3.31Å; L331-T334 PolarHBondContact O-N 3.36Å; L331-T334 PolarHBondContact O-OG1 2.72Å; R332-T334 PolarHBondContact O-N 3.14Å; T334-Q336 PolarHBondContact O-N 2.81Å; T334-G337 PolarHBondContact O-N 2.75Å; T334-G337 PolarHBondContact OG1-N 2.88Å; T334-K338 WeakPolarHBondContact O-CG 3.42Å; T334-K338 PolarHBondContact O-N 2.69Å |
| 335 | K | 79.2 | Confident | 85.6 | Confident | 147 Ų | 147 | 36.9 Ų | 36.9 | 64% | 0.639 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -55.5 | -40 | 173.2 | -175.7 | -179.2 | 177.4 | -176.9 | 0 | 112.3 | L339 | K335-L339 PolarHBondContact O-N 2.93Å |
| 336 | Q | 81.7 | Confident | 86 | Confident | 92 Ų | 92 | 36.9 Ų | 36.9 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.4 | -46.6 | 177 | 179.9 | 61.2 | 24 | 0 | 0 | 111.3 | T334 K338 L339 E340 | T334-Q336 PolarHBondContact O-N 2.81Å; Q336-K338 VanDerWaalsContact C-N 3.26Å; Q336-K338 PolarHBondContact O-N 2.79Å; Q336-L339 PolarHBondContact O-N 3.22Å; Q336-E340 HydrophobicContact CG-CG 4.38Å; Q336-E340 PolarHBondContact NE2-OE1 3.42Å; Q336-E340 VanDerWaalsContact NE2-OE1 3.1Å; Q336-E340 WeakPolarHBondContact O-CG 3.13Å; Q336-E340 PolarHBondContact O-N 2.93Å |
| 337 | G | 84.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -32.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L331 T334 E340 E341 | L331-G337 WeakPolarHBondContact O-CA 3.17Å; T334-G337 PolarHBondContact O-N 2.75Å; T334-G337 PolarHBondContact OG1-N 2.88Å; G337-E340 PolarHBondContact O-N 3.43Å; G337-E341 PolarHBondContact O-N 3.45Å |
| 338 | K | 85.1 | Confident | 87.5 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 171.8 | -71.5 | 173 | -168.7 | -153.8 | 0 | 112.5 | T334 Q336 R342 E470 T510 E521 | T334-K338 WeakPolarHBondContact O-CG 3.42Å; T334-K338 PolarHBondContact O-N 2.69Å; Q336-K338 VanDerWaalsContact C-N 3.26Å; Q336-K338 PolarHBondContact O-N 2.79Å; K338-R342 PolarHBondContact O-NH1 3.11Å; K338-E470 IonicContact NZ-OE2 3.42Å; K338-E470 PolarHBondContact NZ-OE2 2.62Å; K338-T510 PolarHBondContact NZ-OG1 2.94Å; K338-E521 WeakPolarHBondContact CD-OE2 3.32Å; K338-E521 WeakPolarHBondContact CE-OE2 3.26Å; K338-E521 IonicContact NZ-OE2 3.88Å; K338-E521 PolarHBondContact NZ-OE2 3.28Å |
| 339 | L | 87.9 | Confident | 88.6 | Confident | 68 Ų | 68 | 31 Ų | 31 | 36% | 0.356 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -70.9 | -42.5 | 175.9 | -67.6 | 172.8 | 0 | 0 | 0 | 110.7 | K335 Q336 E341 R342 N343 | K335-L339 PolarHBondContact O-N 2.93Å; Q336-L339 PolarHBondContact O-N 3.22Å; L339-E341 VanDerWaalsContact C-N 3.34Å; L339-E341 PolarHBondContact O-N 3.49Å; L339-R342 PolarHBondContact O-N 2.7Å; L339-R342 VanDerWaalsContact O-N 3.07Å; L339-N343 WeakPolarHBondContact O-CB 3.34Å; L339-N343 PolarHBondContact O-N 2.04Å |
| 340 | E | 91.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -34.9 | 179.3 | -74.9 | -164 | -153.5 | 0 | 0 | 113.5 | S123 M125 R129 Q336 G337 R342 N343 | S123-E340 WeakPolarHBondContact CB-O 3.35Å; S123-E340 PolarHBondContact OG-OE2 3.07Å; M125-E340 HydrophobicContact CB-CG 4.15Å; M125-E340 HydrophobicContact CG-CG 4.31Å; R129-E340 IonicContact CZ-OE1 3.76Å; R129-E340 IonicContact CZ-OE2 3.92Å; R129-E340 IonicContact NH1-OE1 2.84Å; R129-E340 PolarHBondContact NH1-OE1 2.86Å; R129-E340 IonicContact NH1-OE2 2.66Å; R129-E340 IonicContact NH2-OE1 3.48Å; R129-E340 PolarHBondContact NH2-OE1 2.85Å; R129-E340 IonicContact NH2-OE2 3.26Å; R129-E340 PolarHBondContact NH2-OE2 3.48Å; Q336-E340 HydrophobicContact CG-CG 4.38Å; Q336-E340 PolarHBondContact NE2-OE1 3.42Å; Q336-E340 VanDerWaalsContact NE2-OE1 3.1Å; Q336-E340 WeakPolarHBondContact O-CG 3.13Å; Q336-E340 PolarHBondContact O-N 2.93Å; G337-E340 PolarHBondContact O-N 3.43Å; E340-R342 VanDerWaalsContact C-N 3.28Å; E340-R342 PolarHBondContact O-N 3.49Å; E340-N343 PolarHBondContact O-N 3.25Å |
| 341 | E | 91.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.6 | -43.6 | 169.9 | 177 | -171.6 | -118.3 | 0 | 0 | 112.3 | G325 R332 G337 L339 N343 W422 | G325-E341 PolarHBondContact N-O 3.05Å; R332-E341 IonicContact CZ-OE1 3.71Å; R332-E341 IonicContact CZ-OE2 2.85Å; R332-E341 IonicContact NE-OE1 2.72Å; R332-E341 PolarHBondContact NE-OE1 2.69Å; R332-E341 IonicContact NE-OE2 3.34Å; R332-E341 PolarHBondContact NE-OE2 3.13Å; R332-E341 IonicContact NH2-OE1 3.94Å; R332-E341 PolarHBondContact NH2-OE1 2.86Å; R332-E341 IonicContact NH2-OE2 2.86Å; R332-E341 PolarHBondContact NH2-OE2 3.26Å; G337-E341 PolarHBondContact O-N 3.45Å; L339-E341 VanDerWaalsContact C-N 3.34Å; L339-E341 PolarHBondContact O-N 3.49Å; E341-N343 VanDerWaalsContact C-N 3.34Å; E341-W422 HydrophobicContact CG-CZ3 4.33Å |
| 342 | R | 93.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -82.4 | -14.2 | -173.8 | -66.9 | 168.7 | 175.4 | 65.4 | 5.2 | 112.7 | N151 T152 K338 L339 E340 P344 H421 W422 S424 E521 | N151-R342 WeakPolarHBondContact CA-O 3.5Å; T152-R342 PolarHBondContact N-O 3.05Å; K338-R342 PolarHBondContact O-NH1 3.11Å; L339-R342 PolarHBondContact O-N 2.7Å; L339-R342 VanDerWaalsContact O-N 3.07Å; E340-R342 VanDerWaalsContact C-N 3.28Å; E340-R342 PolarHBondContact O-N 3.49Å; R342-P344 VanDerWaalsContact C-CD 3.43Å; R342-P344 WeakPolarHBondContact O-CD 2.96Å; R342-H421 PolarHBondContact NE-O 2.93Å; R342-H421 PolarHBondContact NH2-O 3.09Å; R342-W422 HydrophobicContact CG-CE3 4Å; R342-W422 HydrophobicContact CG-CZ3 4.43Å; R342-S424 VanDerWaalsContact CB-OG 3.29Å; R342-S424 WeakPolarHBondContact CB-OG 3.28Å; R342-E521 IonicContact NH2-OE1 2.63Å; R342-E521 PolarHBondContact NH2-OE1 3.09Å |
| 343 | N | 95.1 | Very high | 92 | Very high | 42 Ų | 42 | 36.5 Ų | 36.5 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -123 | 73.1 | -173 | -59.4 | 172.3 | 0 | 0 | 0 | 110 | R124 L339 E340 E341 S424 | R124-N343 PolarHBondContact N-O 3.26Å; L339-N343 WeakPolarHBondContact O-CB 3.34Å; L339-N343 PolarHBondContact O-N 2.04Å; E340-N343 PolarHBondContact O-N 3.25Å; E341-N343 VanDerWaalsContact C-N 3.34Å; N343-S424 PolarHBondContact ND2-OG 2.97Å |
| 344 | P | 97.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 162.8 | 175.4 | 27.5 | -33.3 | 0 | 0 | 0 | 112.2 | V122 Y150 T152 S322 R342 | V122-P344 WeakPolarHBondContact O-CA 3.46Å; Y150-P344 HydrophobicContact CD1-CG 3.7Å; Y150-P344 HydrophobicContact CE1-CG 3.78Å; T152-P344 HydrophobicContact CG2-CG 3.94Å; S322-P344 VanDerWaalsContact O-CB 3.3Å; S322-P344 WeakPolarHBondContact O-CB 3.07Å; R342-P344 VanDerWaalsContact C-CD 3.43Å; R342-P344 WeakPolarHBondContact O-CD 2.96Å |
| 345 | F | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -71.8 | 129.6 | 171.3 | -177.6 | -103.5 | 0 | 0 | 0 | 110 | V122 R124 F127 Y135 I138 V146 V320 F321 S322 | V122-F345 PolarHBondContact O-N 3.27Å; R124-F345 HydrophobicContact CG-CD2 4.41Å; F127-F345 HydrophobicContact CB-CB 3.6Å; F127-F345 HydrophobicContact CB-CD2 4Å; F127-F345 HydrophobicContact CB-CG 3.78Å; F127-F345 HydrophobicContact CD1-CB 4.47Å; F127-F345 AromaticContact CD1-CD1 3.85Å; F127-F345 HydrophobicContact CD1-CD1 3.85Å; F127-F345 AromaticContact CD1-CD2 3.78Å; F127-F345 HydrophobicContact CD1-CD2 3.78Å; F127-F345 AromaticContact CD1-CE1 3.96Å; F127-F345 HydrophobicContact CD1-CE1 3.96Å; F127-F345 AromaticContact CD1-CE2 3.91Å; F127-F345 HydrophobicContact CD1-CE2 3.91Å; F127-F345 AromaticContact CD1-CG 3.75Å; F127-F345 HydrophobicContact CD1-CG 3.75Å; F127-F345 AromaticContact CD1-CZ 3.98Å; F127-F345 HydrophobicContact CD1-CZ 3.98Å; F127-F345 HydrophobicContact CD2-CB 3.69Å; F127-F345 AromaticContact CD2-CD1 3.5Å; F127-F345 HydrophobicContact CD2-CD1 3.5Å; F127-F345 VanDerWaalsContact CD2-CD1 3.5Å; F127-F345 HydrophobicContact CD2-CD2 4.44Å; F127-F345 HydrophobicContact CD2-CE1 4.24Å; F127-F345 AromaticContact CD2-CG 3.61Å; F127-F345 HydrophobicContact CD2-CG 3.61Å; F127-F345 AromaticContact CE1-CD1 3.85Å; F127-F345 HydrophobicContact CE1-CD1 3.85Å; F127-F345 HydrophobicContact CE1-CD2 4.38Å; F127-F345 AromaticContact CE1-CE1 3.59Å; F127-F345 HydrophobicContact CE1-CE1 3.59Å; F127-F345 HydrophobicContact CE1-CE2 4.18Å; F127-F345 HydrophobicContact CE1-CG 4.23Å; F127-F345 AromaticContact CE1-CZ 3.77Å; F127-F345 HydrophobicContact CE1-CZ 3.77Å; F127-F345 AromaticContact CE2-CD1 3.49Å; F127-F345 HydrophobicContact CE2-CD1 3.49Å; F127-F345 VanDerWaalsContact CE2-CD1 3.49Å; F127-F345 AromaticContact CE2-CE1 3.89Å; F127-F345 HydrophobicContact CE2-CE1 3.89Å; F127-F345 HydrophobicContact CE2-CG 4.1Å; F127-F345 HydrophobicContact CG-CB 3.68Å; F127-F345 AromaticContact CG-CD1 3.69Å; F127-F345 HydrophobicContact CG-CD1 3.69Å; F127-F345 AromaticContact CG-CD2 3.82Å; F127-F345 HydrophobicContact CG-CD2 3.82Å; F127-F345 HydrophobicContact CG-CE1 4.27Å; F127-F345 HydrophobicContact CG-CE2 4.4Å; F127-F345 AromaticContact CG-CG 3.42Å; F127-F345 HydrophobicContact CG-CG 3.42Å; F127-F345 VanDerWaalsContact CG-CG 3.42Å; F127-F345 AromaticContact CZ-CD1 3.67Å; F127-F345 HydrophobicContact CZ-CD1 3.67Å; F127-F345 AromaticContact CZ-CE1 3.56Å; F127-F345 HydrophobicContact CZ-CE1 3.56Å; F127-F345 HydrophobicContact CZ-CG 4.39Å; F127-F345 HydrophobicContact CZ-CZ 4.21Å; Y135-F345 HydrophobicContact CD2-CD2 4.36Å; Y135-F345 AromaticContact CD2-CE2 3.56Å; Y135-F345 HydrophobicContact CD2-CE2 3.56Å; Y135-F345 HydrophobicContact CD2-CZ 4.11Å; Y135-F345 HydrophobicContact CE2-CD2 4.49Å; Y135-F345 AromaticContact CE2-CE2 3.69Å; Y135-F345 HydrophobicContact CE2-CE2 3.69Å; I138-F345 HydrophobicContact CD1-CE1 4.06Å; I138-F345 HydrophobicContact CD1-CZ 4.18Å; V146-F345 HydrophobicContact CG1-CD2 4.44Å; V146-F345 HydrophobicContact CG1-CE2 4.01Å; V146-F345 HydrophobicContact CG2-CE2 3.99Å; V146-F345 HydrophobicContact CG2-CZ 4.3Å; V320-F345 HydrophobicContact CB-CE1 4.26Å; V320-F345 HydrophobicContact CG1-CD1 4.44Å; V320-F345 HydrophobicContact CG1-CE1 4.02Å; F321-F345 CarbonylContact C-O 3.56Å; F321-F345 VanDerWaalsContact CA-O 3.29Å; F321-F345 WeakPolarHBondContact CA-O 3.49Å; S322-F345 PolarHBondContact N-O 3.41Å | ||
| 346 | V | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 134.3 | 167.7 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | V146 L147 Y150 I319 V320 F321 L378 | V146-V346 WeakPolarHBondContact CA-O 3.36Å; L147-V346 HydrophobicContact CB-CB 4.28Å; L147-V346 HydrophobicContact CD1-CB 4.27Å; L147-V346 HydrophobicContact CD1-CG1 3.73Å; L147-V346 HydrophobicContact CG-CB 4.47Å; L147-V346 HydrophobicContact CG-CG1 4.25Å; L147-V346 PolarHBondContact N-O 3.33Å; Y150-V346 HydrophobicContact CD1-CB 4.46Å; Y150-V346 HydrophobicContact CD1-CG2 3.47Å; Y150-V346 VanDerWaalsContact CD1-CG2 3.47Å; Y150-V346 HydrophobicContact CD2-CB 4.14Å; Y150-V346 HydrophobicContact CD2-CG1 4.36Å; Y150-V346 HydrophobicContact CD2-CG2 3.82Å; Y150-V346 HydrophobicContact CE1-CG2 3.56Å; Y150-V346 HydrophobicContact CE2-CG1 4.42Å; Y150-V346 HydrophobicContact CE2-CG2 3.92Å; Y150-V346 HydrophobicContact CG-CB 4.09Å; Y150-V346 HydrophobicContact CG-CG2 3.56Å; I319-V346 HydrophobicContact CG2-CG1 4.35Å; V320-V346 CarbonylContact O-C 3.39Å; V320-V346 WeakPolarHBondContact O-CA 3.38Å; F321-V346 HydrophobicContact CB-CB 4.48Å; F321-V346 HydrophobicContact CB-CG1 4.13Å; F321-V346 HydrophobicContact CB-CG2 4.11Å; V346-L378 HydrophobicContact CG1-CD1 4.16Å; V346-L378 HydrophobicContact CG1-CD2 4.28Å |
| 347 | S | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 152.5 | 171.8 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | T145 I319 V320 | T145-S347 CarbonylContact O-C 3.55Å; T145-S347 WeakPolarHBondContact O-CA 3.32Å; I319-S347 WeakPolarHBondContact CA-O 2.95Å; V320-S347 PolarHBondContact N-O 3.22Å; V320-S347 PolarHBondContact O-N 3.39Å; V320-S347 PolarHBondContact O-OG 3.49Å |
| 348 | I | 98.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.4 | 174.8 | -175.6 | 169 | 0 | 0 | 0 | 109.7 | G144 T145 V317 I319 L350 V365 T381 L403 | G144-I348 WeakPolarHBondContact CA-O 3.33Å; T145-I348 PolarHBondContact N-O 3.35Å; T145-I348 PolarHBondContact O-N 3.2Å; V317-I348 HydrophobicContact CG1-CD1 4.05Å; V317-I348 HydrophobicContact CG1-CG1 4.18Å; I319-I348 HydrophobicContact CG1-CG1 4.22Å; I348-L350 HydrophobicContact CD1-CD2 3.91Å; I348-L350 HydrophobicContact CG1-CD2 3.97Å; I348-L350 HydrophobicContact CG1-CG 4.49Å; I348-V365 HydrophobicContact CG2-CG1 3.52Å; I348-T381 HydrophobicContact CD1-CG2 4.28Å; I348-L403 HydrophobicContact CD1-CD1 4.17Å; I348-L403 HydrophobicContact CG2-CD1 4.44Å |
| 349 | I | 98.8 | Very high | 96 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.3 | 176.7 | -61.1 | 156.2 | 0 | 0 | 0 | 106.6 | I138 L142 L318 V320 | I138-I349 HydrophobicContact CG1-CD1 4.35Å; I138-I349 HydrophobicContact CG2-CD1 4.21Å; I138-I349 HydrophobicContact CG2-CG1 4.46Å; L142-I349 HydrophobicContact CB-CD1 4.23Å; L142-I349 HydrophobicContact CB-CG1 4.35Å; L142-I349 HydrophobicContact CB-CG2 4.12Å; L142-I349 HydrophobicContact CD1-CD1 3.87Å; L318-I349 HydrophobicContact CB-CB 4.17Å; L318-I349 HydrophobicContact CD2-CD1 3.71Å; L318-I349 HydrophobicContact CG-CD1 4.04Å; L318-I349 PolarHBondContact N-O 3.05Å; L318-I349 PolarHBondContact O-N 3.15Å; V320-I349 HydrophobicContact CG2-CD1 4.25Å |
| 350 | L | 98.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 36.3 Ų | 36.3 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | trans | -102.8 | 156.7 | -179.3 | -60 | 176.9 | 0 | 0 | 0 | 110.1 | V317 I348 F354 V362 V365 F404 | V317-L350 HydrophobicContact CG1-CD2 4.15Å; V317-L350 HydrophobicContact CG2-CD2 4.17Å; I348-L350 HydrophobicContact CD1-CD2 3.91Å; I348-L350 HydrophobicContact CG1-CD2 3.97Å; I348-L350 HydrophobicContact CG1-CG 4.49Å; L350-F354 HydrophobicContact CB-CB 4.12Å; L350-F354 HydrophobicContact CB-CG 4.27Å; L350-F354 HydrophobicContact CD1-CD1 3.93Å; L350-F354 HydrophobicContact CD1-CE1 4.31Å; L350-F354 HydrophobicContact CD1-CG 4.44Å; L350-V362 HydrophobicContact CD1-CG2 3.96Å; L350-V365 HydrophobicContact CD1-CG2 4.32Å; L350-F404 HydrophobicContact CD1-CE1 4.28Å; L350-F404 HydrophobicContact CD2-CE1 3.88Å; L350-F404 HydrophobicContact CD2-CZ 4.18Å | ||
| 351 | P | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -52.7 | 143.6 | 171 | -27.5 | 35.4 | 0 | 0 | 0 | 112.2 | L112 L313 T316 W353 F354 | L112-P351 HydrophobicContact CD1-CG 4.44Å; L313-P351 WeakPolarHBondContact O-CA 3.29Å; T316-P351 WeakPolarHBondContact O-CD 3.45Å; P351-W353 VanDerWaalsContact C-N 3.28Å; P351-W353 HydrophobicContact CB-CD2 4.22Å; P351-W353 HydrophobicContact CB-CG 4.43Å; P351-W353 HydrophobicContact CB-CZ2 3.88Å; P351-W353 HydrophobicContact CG-CZ2 4.03Å; P351-W353 PolarHBondContact O-N 2.91Å; P351-F354 HydrophobicContact CB-CB 4.39Å; P351-F354 HydrophobicContact CG-CD2 4.25Å; P351-F354 WeakPolarHBondContact O-CB 3.47Å; P351-F354 PolarHBondContact O-N 2.79Å | ||
| 352 | P | 96.5 | Very high | 97 | Very high | 84 Ų | 84 | 36.8 Ų | 36.8 | 55% | 0.545 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -40.4 | -176.8 | -29.6 | 36.6 | 0 | 0 | 0 | 114 | N314 F354 E356 | N314-P352 WeakPolarHBondContact OD1-CD 3.43Å; P352-F354 PolarHBondContact O-N 2.94Å; P352-E356 VanDerWaalsContact O-OE2 3.04Å |
| 353 | W | 96.6 | Very high | 97.2 | Very high | 86 Ų | 86 | 43.3 Ų | 43.3 | 33% | 0.326 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -10.5 | 180 | 58.6 | -101.3 | 0 | 0 | 0 | 114.2 | F108 L112 N314 P351 K355 E356 A357 F358 | F108-W353 HydrophobicContact CD1-CH2 4.17Å; F108-W353 HydrophobicContact CE1-CH2 4.26Å; L112-W353 HydrophobicContact CD1-CH2 4.22Å; L112-W353 HydrophobicContact CD1-CZ2 4.47Å; L112-W353 HydrophobicContact CD2-CH2 3.91Å; L112-W353 HydrophobicContact CD2-CZ2 3.56Å; N314-W353 PolarHBondContact O-NE1 3.17Å; P351-W353 VanDerWaalsContact C-N 3.28Å; P351-W353 HydrophobicContact CB-CD2 4.22Å; P351-W353 HydrophobicContact CB-CG 4.43Å; P351-W353 HydrophobicContact CB-CZ2 3.88Å; P351-W353 HydrophobicContact CG-CZ2 4.03Å; P351-W353 PolarHBondContact O-N 2.91Å; W353-K355 PolarHBondContact O-N 2.9Å; W353-E356 VanDerWaalsContact C-OE2 3.24Å; W353-E356 WeakPolarHBondContact CA-OE2 3.33Å; W353-E356 PolarHBondContact O-N 3.3Å; W353-A357 HydrophobicContact CE3-CB 3.83Å; W353-A357 HydrophobicContact CZ3-CB 4.01Å; W353-A357 PolarHBondContact O-N 3.15Å; W353-A357 VanDerWaalsContact O-N 3.07Å; W353-F358 HydrophobicContact CZ3-CD2 4.32Å; W353-F358 AromaticContact CZ3-CE2 3.94Å; W353-F358 HydrophobicContact CZ3-CE2 3.94Å |
| 354 | F | 96.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -28.5 | -172.9 | -152 | -81.2 | 0 | 0 | 0 | 111.6 | F108 L112 L350 P351 P352 F358 A361 V362 F388 F404 | F108-F354 AromaticContact CE1-CE2 3.66Å; F108-F354 HydrophobicContact CE1-CE2 3.66Å; F108-F354 HydrophobicContact CE1-CZ 4.09Å; F108-F354 AromaticContact CZ-CE2 3.95Å; F108-F354 HydrophobicContact CZ-CE2 3.95Å; F108-F354 HydrophobicContact CZ-CZ 4.07Å; L112-F354 HydrophobicContact CD1-CD2 4.15Å; L112-F354 HydrophobicContact CD1-CE2 3.64Å; L350-F354 HydrophobicContact CB-CB 4.12Å; L350-F354 HydrophobicContact CB-CG 4.27Å; L350-F354 HydrophobicContact CD1-CD1 3.93Å; L350-F354 HydrophobicContact CD1-CE1 4.31Å; L350-F354 HydrophobicContact CD1-CG 4.44Å; P351-F354 HydrophobicContact CB-CB 4.39Å; P351-F354 HydrophobicContact CG-CD2 4.25Å; P351-F354 WeakPolarHBondContact O-CB 3.47Å; P351-F354 PolarHBondContact O-N 2.79Å; P352-F354 PolarHBondContact O-N 2.94Å; F354-F358 HydrophobicContact CD1-CB 4.11Å; F354-F358 AromaticContact CD1-CD2 3.98Å; F354-F358 HydrophobicContact CD1-CD2 3.98Å; F354-F358 HydrophobicContact CD2-CD2 4.32Å; F354-F358 HydrophobicContact CE1-CB 3.99Å; F354-F358 AromaticContact CE1-CD2 3.83Å; F354-F358 HydrophobicContact CE1-CD2 3.83Å; F354-F358 HydrophobicContact CE1-CG 4.25Å; F354-F358 HydrophobicContact CE2-CD2 4.18Å; F354-F358 HydrophobicContact CE2-CE2 4.49Å; F354-F358 HydrophobicContact CG-CD2 4.23Å; F354-F358 AromaticContact CZ-CD2 3.94Å; F354-F358 HydrophobicContact CZ-CD2 3.94Å; F354-F358 CarbonylContact O-C 3.27Å; F354-F358 WeakPolarHBondContact O-CA 3.38Å; F354-F358 PolarHBondContact O-N 3.37Å; F354-A361 HydrophobicContact CE1-CB 4.4Å; F354-V362 HydrophobicContact CD1-CG2 3.79Å; F354-F388 HydrophobicContact CE1-CE2 4.31Å; F354-F388 AromaticContact CE1-CZ 3.91Å; F354-F388 HydrophobicContact CE1-CZ 3.91Å; F354-F388 AromaticContact CZ-CE2 3.74Å; F354-F388 HydrophobicContact CZ-CE2 3.74Å; F354-F388 AromaticContact CZ-CZ 3.74Å; F354-F388 HydrophobicContact CZ-CZ 3.74Å; F354-F404 HydrophobicContact CE1-CD1 4.11Å; F354-F404 AromaticContact CE1-CE1 3.7Å; F354-F404 HydrophobicContact CE1-CE1 3.7Å; F354-F404 HydrophobicContact CE1-CZ 4.42Å; F354-F404 HydrophobicContact CZ-CD1 4.39Å; F354-F404 AromaticContact CZ-CE1 3.75Å; F354-F404 HydrophobicContact CZ-CE1 3.75Å; F354-F404 HydrophobicContact CZ-CZ 4.01Å |
| 355 | K | 95.5 | Very high | 97.4 | Very high | 137 Ų | 137 | 41.9 Ų | 41.9 | 60% | 0.596 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -69 | -39 | 177.2 | -175.5 | 179.1 | 177.8 | -178 | 0 | 112.1 | W353 P359 V362 | W353-K355 PolarHBondContact O-N 2.9Å; K355-P359 WeakPolarHBondContact O-CA 3.28Å; K355-P359 WeakPolarHBondContact O-CB 3.28Å; K355-P359 WeakPolarHBondContact O-CD 3.35Å; K355-V362 HydrophobicContact CB-CG1 4.4Å; K355-V362 HydrophobicContact CB-CG2 4.24Å; K355-V362 HydrophobicContact CG-CG1 4.28Å |
| 356 | E | 96.8 | Very high | 97.4 | Very high | 136 Ų | 136 | 45.7 Ų | 45.7 | 64% | 0.636 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -73.7 | -41.7 | 178.5 | -65.2 | 68.8 | -150.9 | 0 | 0 | 110.6 | P352 W353 | P352-E356 VanDerWaalsContact O-OE2 3.04Å; W353-E356 VanDerWaalsContact C-OE2 3.24Å; W353-E356 WeakPolarHBondContact CA-OE2 3.33Å; W353-E356 PolarHBondContact O-N 3.3Å |
| 357 | A | 95.4 | Very high | 97.4 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74 | -39.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | W353 | W353-A357 HydrophobicContact CE3-CB 3.83Å; W353-A357 HydrophobicContact CZ3-CB 4.01Å; W353-A357 PolarHBondContact O-N 3.15Å; W353-A357 VanDerWaalsContact O-N 3.07Å |
| 358 | F | 95.9 | Very high | 97.4 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 20% | 0.197 | 25% | 0.252 | C | S | . | . | trans | -133.1 | 60.1 | -173.6 | -54.3 | -70.9 | 0 | 0 | 0 | 112.6 | G107 F108 W353 F354 T360 A361 V362 F388 | G107-F358 WeakPolarHBondContact O-CZ 3.5Å; F108-F358 AromaticContact CD1-CE2 3.88Å; F108-F358 HydrophobicContact CD1-CE2 3.88Å; F108-F358 HydrophobicContact CD1-CZ 4.11Å; F108-F358 HydrophobicContact CE1-CD2 4.26Å; F108-F358 AromaticContact CE1-CE2 3.42Å; F108-F358 HydrophobicContact CE1-CE2 3.42Å; F108-F358 VanDerWaalsContact CE1-CE2 3.42Å; F108-F358 AromaticContact CE1-CZ 3.88Å; F108-F358 HydrophobicContact CE1-CZ 3.88Å; F108-F358 HydrophobicContact CZ-CE2 4.38Å; W353-F358 HydrophobicContact CZ3-CD2 4.32Å; W353-F358 AromaticContact CZ3-CE2 3.94Å; W353-F358 HydrophobicContact CZ3-CE2 3.94Å; F354-F358 HydrophobicContact CD1-CB 4.11Å; F354-F358 AromaticContact CD1-CD2 3.98Å; F354-F358 HydrophobicContact CD1-CD2 3.98Å; F354-F358 HydrophobicContact CD2-CD2 4.32Å; F354-F358 HydrophobicContact CE1-CB 3.99Å; F354-F358 AromaticContact CE1-CD2 3.83Å; F354-F358 HydrophobicContact CE1-CD2 3.83Å; F354-F358 HydrophobicContact CE1-CG 4.25Å; F354-F358 HydrophobicContact CE2-CD2 4.18Å; F354-F358 HydrophobicContact CE2-CE2 4.49Å; F354-F358 HydrophobicContact CG-CD2 4.23Å; F354-F358 AromaticContact CZ-CD2 3.94Å; F354-F358 HydrophobicContact CZ-CD2 3.94Å; F354-F358 CarbonylContact O-C 3.27Å; F354-F358 WeakPolarHBondContact O-CA 3.38Å; F354-F358 PolarHBondContact O-N 3.37Å; F358-T360 VanDerWaalsContact C-N 3.27Å; F358-T360 PolarHBondContact O-N 3.17Å; F358-T360 VanDerWaalsContact O-N 3.15Å; F358-A361 HydrophobicContact CB-CB 3.84Å; F358-A361 WeakPolarHBondContact O-CB 3.46Å; F358-A361 PolarHBondContact O-N 2.74Å; F358-V362 PolarHBondContact O-N 3.43Å; F358-F388 HydrophobicContact CB-CE1 4.27Å; F358-F388 HydrophobicContact CB-CZ 4.45Å; F358-F388 HydrophobicContact CD1-CD1 4.07Å; F358-F388 AromaticContact CD1-CE1 3.52Å; F358-F388 HydrophobicContact CD1-CE1 3.52Å; F358-F388 HydrophobicContact CD1-CZ 4.4Å; F358-F388 HydrophobicContact CD2-CE1 4.28Å; F358-F388 AromaticContact CE1-CD1 3.92Å; F358-F388 HydrophobicContact CE1-CD1 3.92Å; F358-F388 AromaticContact CE1-CE1 3.85Å; F358-F388 HydrophobicContact CE1-CE1 3.85Å; F358-F388 AromaticContact CG-CE1 3.75Å; F358-F388 HydrophobicContact CG-CE1 3.75Å; F358-F388 HydrophobicContact CG-CZ 4.2Å; F358-F388 HydrophobicContact CZ-CD1 4.33Å; F358-F388 HydrophobicContact CZ-CE1 4.36Å | ||
| 359 | P | 96.5 | Very high | 97.3 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.7 | -35 | -171.6 | 23 | -34.7 | 0 | 0 | 0 | 113.2 | K355 R363 | K355-P359 WeakPolarHBondContact O-CA 3.28Å; K355-P359 WeakPolarHBondContact O-CB 3.28Å; K355-P359 WeakPolarHBondContact O-CD 3.35Å; P359-R363 WeakPolarHBondContact O-CG 3.43Å; P359-R363 PolarHBondContact O-N 2.95Å; P359-R363 PolarHBondContact O-NH1 3.28Å |
| 360 | T | 97.3 | Very high | 97.2 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 36% | 0.356 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 176.3 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | F358 R363 N364 P391 | F358-T360 VanDerWaalsContact C-N 3.27Å; F358-T360 PolarHBondContact O-N 3.17Å; F358-T360 VanDerWaalsContact O-N 3.15Å; T360-R363 PolarHBondContact O-N 3.26Å; T360-R363 PolarHBondContact OG1-NH2 3.09Å; T360-N364 VanDerWaalsContact O-CG 3.24Å; T360-N364 PolarHBondContact O-N 3.48Å; T360-N364 PolarHBondContact O-OD1 3.2Å; T360-P391 HydrophobicContact CG2-CB 3.68Å; T360-P391 HydrophobicContact CG2-CG 4.25Å |
| 361 | A | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | F354 F358 N364 V365 F388 P391 F404 | F354-A361 HydrophobicContact CE1-CB 4.4Å; F358-A361 HydrophobicContact CB-CB 3.84Å; F358-A361 WeakPolarHBondContact O-CB 3.46Å; F358-A361 PolarHBondContact O-N 2.74Å; A361-N364 WeakPolarHBondContact O-CB 3.44Å; A361-N364 PolarHBondContact O-N 3.44Å; A361-V365 WeakPolarHBondContact O-CG2 3.3Å; A361-V365 PolarHBondContact O-N 3.05Å; A361-F388 HydrophobicContact CB-CE1 4.36Å; A361-F388 HydrophobicContact CB-CZ 3.85Å; A361-P391 HydrophobicContact CB-CG 3.86Å; A361-F404 HydrophobicContact CB-CB 4.09Å; A361-F404 HydrophobicContact CB-CD1 4.05Å; A361-F404 HydrophobicContact CB-CG 4.45Å |
| 362 | V | 97.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.7 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | L350 F354 K355 F358 N364 V365 V366 | L350-V362 HydrophobicContact CD1-CG2 3.96Å; F354-V362 HydrophobicContact CD1-CG2 3.79Å; K355-V362 HydrophobicContact CB-CG1 4.4Å; K355-V362 HydrophobicContact CB-CG2 4.24Å; K355-V362 HydrophobicContact CG-CG1 4.28Å; F358-V362 PolarHBondContact O-N 3.43Å; V362-N364 VanDerWaalsContact C-N 3.28Å; V362-N364 PolarHBondContact O-N 2.83Å; V362-V365 PolarHBondContact O-N 3.46Å; V362-V366 WeakPolarHBondContact O-CG2 3.41Å; V362-V366 PolarHBondContact O-N 2.81Å |
| 363 | R | 97.6 | Very high | 97.2 | Very high | 143 Ų | 143 | 51.1 Ų | 51.1 | 54% | 0.54 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 173 | -76 | -167.3 | -54.4 | -85.8 | 0.8 | 112.1 | P359 T360 V366 K367 | P359-R363 WeakPolarHBondContact O-CG 3.43Å; P359-R363 PolarHBondContact O-N 2.95Å; P359-R363 PolarHBondContact O-NH1 3.28Å; T360-R363 PolarHBondContact O-N 3.26Å; T360-R363 PolarHBondContact OG1-NH2 3.09Å; R363-V366 PolarHBondContact O-N 3.28Å; R363-K367 WeakPolarHBondContact O-CB 3.4Å; R363-K367 PolarHBondContact O-N 3.29Å |
| 364 | N | 98.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 47 Ų | 47 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -45.3 | 176.6 | -69.2 | -11.3 | 0 | 0 | 0 | 111.3 | T360 A361 V362 V366 K367 N368 F404 E406 | T360-N364 VanDerWaalsContact O-CG 3.24Å; T360-N364 PolarHBondContact O-N 3.48Å; T360-N364 PolarHBondContact O-OD1 3.2Å; A361-N364 WeakPolarHBondContact O-CB 3.44Å; A361-N364 PolarHBondContact O-N 3.44Å; V362-N364 VanDerWaalsContact C-N 3.28Å; V362-N364 PolarHBondContact O-N 2.83Å; N364-V366 PolarHBondContact O-N 3.27Å; N364-K367 PolarHBondContact O-N 2.81Å; N364-N368 VanDerWaalsContact O-CB 3.24Å; N364-N368 WeakPolarHBondContact O-CB 3.48Å; N364-N368 PolarHBondContact O-N 3.37Å; N364-N368 PolarHBondContact O-ND2 3.02Å; N364-N368 VanDerWaalsContact O-ND2 3.16Å; N364-N368 PolarHBondContact O-OD1 2.91Å; N364-F404 PolarHBondContact ND2-O 3.07Å; N364-E406 PolarHBondContact ND2-N 3.26Å |
| 365 | V | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.9 | -50.6 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | T145 I348 L350 A361 V362 K367 N368 G369 L403 F404 | T145-V365 HydrophobicContact CG2-CG1 4.18Å; I348-V365 HydrophobicContact CG2-CG1 3.52Å; L350-V365 HydrophobicContact CD1-CG2 4.32Å; A361-V365 WeakPolarHBondContact O-CG2 3.3Å; A361-V365 PolarHBondContact O-N 3.05Å; V362-V365 PolarHBondContact O-N 3.46Å; V365-K367 VanDerWaalsContact C-N 3.34Å; V365-K367 PolarHBondContact O-N 3.26Å; V365-N368 CarbonylContact O-C 3.54Å; V365-N368 WeakPolarHBondContact O-CB 3.5Å; V365-N368 PolarHBondContact O-N 3.39Å; V365-N368 VanDerWaalsContact O-N 3.15Å; V365-G369 PolarHBondContact O-N 3.45Å; V365-L403 WeakPolarHBondContact CA-O 3.46Å; V365-L403 HydrophobicContact CG2-CB 4.17Å; V365-L403 VanDerWaalsContact CG2-O 3.24Å; V365-L403 WeakPolarHBondContact CG2-O 3.23Å; V365-L403 PolarHBondContact N-O 3.15Å; V365-F404 HydrophobicContact CG2-CD1 3.8Å; V365-F404 HydrophobicContact CG2-CE1 4.14Å |
| 366 | V | 98.2 | Very high | 97.5 | Very high | 80 Ų | 80 | 40.8 Ų | 40.8 | 49% | 0.485 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | V362 R363 N364 N368 G369 | V362-V366 WeakPolarHBondContact O-CG2 3.41Å; V362-V366 PolarHBondContact O-N 2.81Å; R363-V366 PolarHBondContact O-N 3.28Å; N364-V366 PolarHBondContact O-N 3.27Å; V366-N368 VanDerWaalsContact C-N 3.34Å; V366-G369 PolarHBondContact O-N 3.25Å |
| 367 | K | 97.9 | Very high | 97.6 | Very high | 84 Ų | 84 | 34.4 Ų | 34.4 | 37% | 0.365 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 177 | -172.9 | 168.8 | 177.1 | 179.6 | 0 | 111.9 | R363 N364 V365 G369 N370 E406 | R363-K367 WeakPolarHBondContact O-CB 3.4Å; R363-K367 PolarHBondContact O-N 3.29Å; N364-K367 PolarHBondContact O-N 2.81Å; V365-K367 VanDerWaalsContact C-N 3.34Å; V365-K367 PolarHBondContact O-N 3.26Å; K367-G369 PolarHBondContact O-N 3.46Å; K367-N370 PolarHBondContact O-N 3Å; K367-N370 VanDerWaalsContact O-N 3.15Å; K367-E406 HydrophobicContact CD-CG 4.08Å; K367-E406 WeakPolarHBondContact CE-OE1 3.5Å; K367-E406 WeakPolarHBondContact CE-OE2 3.33Å; K367-E406 IonicContact NZ-OE1 2.95Å; K367-E406 PolarHBondContact NZ-OE1 2.71Å; K367-E406 IonicContact NZ-OE2 3.74Å; K367-E406 PolarHBondContact NZ-OE2 3.21Å |
| 368 | N | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.6 | -20 | 177.9 | -68.2 | -19.9 | 0 | 0 | 0 | 113 | N364 V365 V366 N370 R371 L403 S405 I407 | N364-N368 VanDerWaalsContact O-CB 3.24Å; N364-N368 WeakPolarHBondContact O-CB 3.48Å; N364-N368 PolarHBondContact O-N 3.37Å; N364-N368 PolarHBondContact O-ND2 3.02Å; N364-N368 VanDerWaalsContact O-ND2 3.16Å; N364-N368 PolarHBondContact O-OD1 2.91Å; V365-N368 CarbonylContact O-C 3.54Å; V365-N368 WeakPolarHBondContact O-CB 3.5Å; V365-N368 PolarHBondContact O-N 3.39Å; V365-N368 VanDerWaalsContact O-N 3.15Å; V366-N368 VanDerWaalsContact C-N 3.34Å; N368-N370 PolarHBondContact O-N 3.27Å; N368-N370 VanDerWaalsContact O-N 3.08Å; N368-R371 PolarHBondContact O-N 2.78Å; N368-L403 HydrophobicContact CB-CD2 4.1Å; N368-L403 PolarHBondContact ND2-O 3.37Å; N368-S405 PolarHBondContact ND2-O 2.93Å; N368-I407 HydrophobicContact CB-CD1 4.25Å; N368-I407 WeakPolarHBondContact OD1-CB 2.98Å; N368-I407 PolarHBondContact OD1-N 3.26Å |
| 369 | G | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26 | 168 | 0 | 0 | 0 | 0 | 0 | 113.3 | V146 E148 V365 V366 K367 | V146-G369 VanDerWaalsContact O-CA 3.25Å; V146-G369 WeakPolarHBondContact O-CA 3.43Å; E148-G369 WeakPolarHBondContact CB-O 3.35Å; E148-G369 PolarHBondContact N-O 2.94Å; V365-G369 PolarHBondContact O-N 3.45Å; V366-G369 PolarHBondContact O-N 3.25Å; K367-G369 PolarHBondContact O-N 3.46Å |
| 370 | N | 97 | Very high | 98 | Very high | 78 Ų | 78 | 29.1 Ų | 29.1 | 42% | 0.417 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 30 | 177 | -65.4 | -77.2 | 0 | 0 | 0 | 112.7 | K367 N368 | K367-N370 PolarHBondContact O-N 3Å; K367-N370 VanDerWaalsContact O-N 3.15Å; N368-N370 PolarHBondContact O-N 3.27Å; N368-N370 VanDerWaalsContact O-N 3.08Å |
| 371 | R | 96.8 | Very high | 98.1 | Very high | 62 Ų | 62 | 26.4 Ų | 26.4 | 23% | 0.234 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -125.3 | 152.4 | 177.2 | -63.7 | -66.4 | -178.3 | -124 | 4.7 | 110.4 | M149 N368 T373 I407 | M149-R371 WeakPolarHBondContact CB-O 3.38Å; N368-R371 PolarHBondContact O-N 2.78Å; R371-T373 PolarHBondContact O-N 2.91Å; R371-I407 HydrophobicContact CB-CB 4.09Å; R371-I407 HydrophobicContact CB-CG2 4.05Å; R371-I407 HydrophobicContact CG-CB 4.31Å |
| 372 | L | 96.8 | Very high | 98.1 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 7% | 0.073 | 13% | 0.129 | C | C | . | . | trans | -59.8 | 112.1 | 173.3 | -179.5 | 61.7 | 0 | 0 | 0 | 109.5 | N151 R411 A416 I418 | N151-L372 HydrophobicContact CB-CD1 3.84Å; L372-R411 PolarHBondContact O-NH1 3.1Å; L372-A416 HydrophobicContact CD2-CB 4.01Å; L372-A416 HydrophobicContact CG-CB 4.37Å; L372-I418 HydrophobicContact CD1-CD1 3.82Å; L372-I418 HydrophobicContact CD2-CD1 4.06Å; L372-I418 HydrophobicContact CG-CD1 4.18Å | ||
| 373 | T | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -122.9 | 155.2 | 178.6 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | M149 Y150 N151 R371 D377 L403 I407 | M149-T373 PolarHBondContact O-N 3.35Å; Y150-T373 WeakPolarHBondContact CA-O 3.34Å; Y150-T373 WeakPolarHBondContact CA-OG1 3.32Å; Y150-T373 WeakPolarHBondContact CD2-OG1 3.49Å; N151-T373 PolarHBondContact N-O 2.98Å; R371-T373 PolarHBondContact O-N 2.91Å; T373-D377 WeakPolarHBondContact CA-OD2 3.16Å; T373-L403 HydrophobicContact CG2-CD2 3.69Å; T373-I407 HydrophobicContact CG2-CD1 3.53Å |
| 374 | T | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -138.5 | 168.3 | -176.5 | 68.9 | 0 | 0 | 0 | 0 | 111.1 | V153 F376 D377 L378 A416 I418 | V153-T374 HydrophobicContact CG1-CG2 4.1Å; T374-F376 PolarHBondContact O-N 3.28Å; T374-F376 VanDerWaalsContact O-N 3.1Å; T374-F376 PolarHBondContact OG1-N 2.93Å; T374-D377 PolarHBondContact N-OD2 3.16Å; T374-D377 WeakPolarHBondContact O-CB 3.16Å; T374-D377 PolarHBondContact O-N 2.95Å; T374-D377 PolarHBondContact OG1-OD2 3.22Å; T374-L378 PolarHBondContact O-N 3.43Å; T374-A416 HydrophobicContact CG2-CB 3.85Å; T374-I418 HydrophobicContact CG2-CD1 3.7Å; T374-I418 HydrophobicContact CG2-CG1 3.73Å | ||
| 375 | P | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -44.6 | -35 | 165.6 | -36.5 | 39.1 | 0 | 0 | 0 | 115.7 | Y150 N151 V153 P163 I164 D377 L378 H379 | Y150-P375 HydrophobicContact CE1-CG 4.44Å; Y150-P375 WeakPolarHBondContact OH-CA 3.06Å; Y150-P375 VanDerWaalsContact OH-CD 3.26Å; Y150-P375 WeakPolarHBondContact OH-CD 3.4Å; Y150-P375 WeakPolarHBondContact OH-CG 3.45Å; N151-P375 WeakPolarHBondContact O-CD 3.33Å; V153-P375 HydrophobicContact CG1-CG 4.5Å; V153-P375 HydrophobicContact CG2-CG 4.11Å; P163-P375 HydrophobicContact CB-CB 3.47Å; P163-P375 VanDerWaalsContact CB-CB 3.47Å; P163-P375 HydrophobicContact CG-CB 4.32Å; I164-P375 HydrophobicContact CG1-CB 3.89Å; P375-D377 VanDerWaalsContact C-N 3.3Å; P375-D377 PolarHBondContact O-N 3.17Å; P375-L378 PolarHBondContact O-N 3.18Å; P375-H379 PolarHBondContact O-N 2.86Å; P375-H379 VanDerWaalsContact O-N 3.14Å |
| 376 | F | 98.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.2 | -29.6 | 178.8 | -59.5 | -69.8 | 0 | 0 | 0 | 112.9 | V153 P163 G167 T169 T374 A380 R399 | V153-F376 HydrophobicContact CB-CE2 4.2Å; V153-F376 HydrophobicContact CG1-CD2 4.2Å; V153-F376 HydrophobicContact CG1-CE2 3.86Å; V153-F376 HydrophobicContact CG2-CE2 4.14Å; V153-F376 HydrophobicContact CG2-CZ 4.48Å; P163-F376 HydrophobicContact CB-CD1 3.79Å; P163-F376 HydrophobicContact CB-CE1 3.57Å; P163-F376 HydrophobicContact CB-CE2 4.47Å; P163-F376 HydrophobicContact CB-CG 4.34Å; P163-F376 HydrophobicContact CB-CZ 3.93Å; P163-F376 HydrophobicContact CG-CE1 3.94Å; P163-F376 HydrophobicContact CG-CZ 3.94Å; G167-F376 WeakPolarHBondContact O-CD1 3.38Å; G167-F376 WeakPolarHBondContact O-CE1 3.47Å; T169-F376 HydrophobicContact CG2-CE1 4.42Å; T169-F376 HydrophobicContact CG2-CZ 3.72Å; T374-F376 PolarHBondContact O-N 3.28Å; T374-F376 VanDerWaalsContact O-N 3.1Å; T374-F376 PolarHBondContact OG1-N 2.93Å; F376-A380 WeakPolarHBondContact O-CB 3.29Å; F376-A380 PolarHBondContact O-N 3.32Å; F376-R399 HydrophobicContact CB-CG 4.44Å; F376-R399 HydrophobicContact CD1-CG 4.44Å; F376-R399 HydrophobicContact CG-CG 4.28Å |
| 377 | D | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.9 | -37.1 | 176.5 | -57.3 | -46 | 0 | 0 | 0 | 111 | T373 T374 P375 A380 T381 G400 I401 R411 | T373-D377 WeakPolarHBondContact CA-OD2 3.16Å; T374-D377 PolarHBondContact N-OD2 3.16Å; T374-D377 WeakPolarHBondContact O-CB 3.16Å; T374-D377 PolarHBondContact O-N 2.95Å; T374-D377 PolarHBondContact OG1-OD2 3.22Å; P375-D377 VanDerWaalsContact C-N 3.3Å; P375-D377 PolarHBondContact O-N 3.17Å; D377-A380 PolarHBondContact O-N 3.05Å; D377-T381 WeakPolarHBondContact O-CB 3.27Å; D377-T381 PolarHBondContact O-N 2.91Å; D377-T381 PolarHBondContact O-OG1 3.35Å; D377-G400 WeakPolarHBondContact OD1-CA 3.36Å; D377-I401 WeakPolarHBondContact CA-O 3.47Å; D377-I401 VanDerWaalsContact CB-O 3.28Å; D377-I401 WeakPolarHBondContact CB-O 3.27Å; D377-I401 PolarHBondContact OD1-N 3.16Å; D377-R411 VanDerWaalsContact CG-NH1 3.26Å; D377-R411 IonicContact OD1-CZ 3.42Å; D377-R411 IonicContact OD1-NH1 3.05Å; D377-R411 PolarHBondContact OD1-NH1 2.88Å; D377-R411 VanDerWaalsContact OD1-NH1 3.14Å; D377-R411 IonicContact OD1-NH2 3.1Å; D377-R411 PolarHBondContact OD1-NH2 3.12Å; D377-R411 IonicContact OD2-CZ 3.29Å; D377-R411 IonicContact OD2-NH1 3.72Å; D377-R411 PolarHBondContact OD2-NH1 3.3Å; D377-R411 IonicContact OD2-NH2 2.7Å; D377-R411 PolarHBondContact OD2-NH2 3.3Å; D377-R411 VanDerWaalsContact OD2-NH2 3.08Å |
| 378 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 172.4 | -61.5 | -178.2 | 0 | 0 | 0 | 110.8 | L147 Y150 I164 V346 T374 P375 A380 T381 V382 L403 | L147-L378 HydrophobicContact CD1-CD2 4.09Å; Y150-L378 HydrophobicContact CE2-CD1 3.76Å; Y150-L378 HydrophobicContact CE2-CG 3.99Å; Y150-L378 WeakPolarHBondContact OH-CD1 3.16Å; I164-L378 HydrophobicContact CD1-CD1 4.04Å; I164-L378 HydrophobicContact CG1-CB 4.37Å; I164-L378 HydrophobicContact CG1-CD1 4.12Å; V346-L378 HydrophobicContact CG1-CD1 4.16Å; V346-L378 HydrophobicContact CG1-CD2 4.28Å; T374-L378 PolarHBondContact O-N 3.43Å; P375-L378 PolarHBondContact O-N 3.18Å; L378-A380 PolarHBondContact O-N 3.1Å; L378-T381 WeakPolarHBondContact O-CB 3.42Å; L378-T381 PolarHBondContact O-N 3.14Å; L378-V382 WeakPolarHBondContact O-CG2 3.15Å; L378-V382 PolarHBondContact O-N 3.03Å; L378-L403 HydrophobicContact CD2-CD1 4Å |
| 379 | H | 98.8 | Very high | 97 | Very high | 22 Ų | 22 | 23.1 Ų | 23.1 | 10% | 0.102 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -49 | 174.2 | -175.4 | 78.6 | 0 | 0 | 0 | 112.2 | P163 I164 T166 G167 P375 T381 V382 K383 | P163-H379 VanDerWaalsContact O-CB 3.31Å; P163-H379 WeakPolarHBondContact O-CB 3.02Å; I164-H379 VanDerWaalsContact O-CB 3.3Å; I164-H379 WeakPolarHBondContact O-CB 3.06Å; I164-H379 PolarHBondContact O-ND1 3.07Å; T166-H379 VanDerWaalsContact C-CE1 3.45Å; G167-H379 VanDerWaalsContact CA-CD2 3.42Å; G167-H379 WeakPolarHBondContact CA-CD2 3.25Å; G167-H379 PolarHBondContact N-CE1 3.08Å; G167-H379 PolarHBondContact N-ND1 3.35Å; P375-H379 PolarHBondContact O-N 2.86Å; P375-H379 VanDerWaalsContact O-N 3.14Å; H379-T381 PolarHBondContact O-N 2.98Å; H379-V382 PolarHBondContact O-N 3.15Å; H379-K383 WeakPolarHBondContact O-CB 3.49Å; H379-K383 PolarHBondContact O-N 3.3Å |
| 380 | A | 98.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 19% | 0.19 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F376 D377 L378 S384 | F376-A380 WeakPolarHBondContact O-CB 3.29Å; F376-A380 PolarHBondContact O-N 3.32Å; D377-A380 PolarHBondContact O-N 3.05Å; L378-A380 PolarHBondContact O-N 3.1Å; A380-S384 WeakPolarHBondContact O-CB 3.23Å; A380-S384 PolarHBondContact O-N 3.43Å; A380-S384 PolarHBondContact O-OG 2.52Å |
| 381 | T | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -51 | 176.4 | -56 | 0 | 0 | 0 | 0 | 111.1 | I348 D377 L378 H379 K383 S384 L385 L403 F404 | I348-T381 HydrophobicContact CD1-CG2 4.28Å; D377-T381 WeakPolarHBondContact O-CB 3.27Å; D377-T381 PolarHBondContact O-N 2.91Å; D377-T381 PolarHBondContact O-OG1 3.35Å; L378-T381 WeakPolarHBondContact O-CB 3.42Å; L378-T381 PolarHBondContact O-N 3.14Å; H379-T381 PolarHBondContact O-N 2.98Å; T381-K383 VanDerWaalsContact C-N 3.34Å; T381-K383 PolarHBondContact O-N 3.25Å; T381-S384 PolarHBondContact O-N 2.92Å; T381-S384 VanDerWaalsContact O-N 3.16Å; T381-S384 PolarHBondContact O-OG 3.33Å; T381-L385 PolarHBondContact O-N 3.09Å; T381-L403 HydrophobicContact CG2-CB 4.13Å; T381-L403 HydrophobicContact CG2-CD1 4.44Å; T381-L403 HydrophobicContact CG2-CG 4.47Å; T381-L403 WeakPolarHBondContact OG1-CG 3.44Å; T381-L403 PolarHBondContact OG1-N 3.04Å; T381-F404 HydrophobicContact CG2-CD2 4.04Å; T381-F404 HydrophobicContact CG2-CE2 3.55Å; T381-F404 HydrophobicContact CG2-CZ 3.98Å |
| 382 | V | 98.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 176.4 | 172.8 | 0 | 0 | 0 | 0 | 111 | I114 F116 I192 L196 I319 L378 H379 S384 L385 | I114-V382 HydrophobicContact CD1-CG1 3.88Å; I114-V382 HydrophobicContact CG2-CG1 4.48Å; I114-V382 HydrophobicContact CG2-CG2 4.2Å; F116-V382 HydrophobicContact CE2-CG2 3.62Å; F116-V382 HydrophobicContact CZ-CG2 3.52Å; I192-V382 HydrophobicContact CD1-CG1 4.49Å; I192-V382 HydrophobicContact CG1-CG1 3.79Å; L196-V382 HydrophobicContact CD1-CG1 4.46Å; I319-V382 HydrophobicContact CD1-CG2 4.48Å; L378-V382 WeakPolarHBondContact O-CG2 3.15Å; L378-V382 PolarHBondContact O-N 3.03Å; H379-V382 PolarHBondContact O-N 3.15Å; V382-S384 PolarHBondContact O-N 3.05Å; V382-L385 WeakPolarHBondContact O-CB 2.98Å; V382-L385 PolarHBondContact O-N 2.82Å |
| 383 | K | 97.5 | Very high | 95.4 | Very high | 100 Ų | 100 | 34.1 Ų | 34.1 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.2 | -37 | 178.4 | -169.8 | 169.1 | -170.7 | 164.9 | 0 | 112.3 | H379 T381 L385 L386 | H379-K383 WeakPolarHBondContact O-CB 3.49Å; H379-K383 PolarHBondContact O-N 3.3Å; T381-K383 VanDerWaalsContact C-N 3.34Å; T381-K383 PolarHBondContact O-N 3.25Å; K383-L385 PolarHBondContact O-N 2.67Å; K383-L386 WeakPolarHBondContact O-CB 3.49Å; K383-L386 PolarHBondContact O-N 2.95Å |
| 384 | S | 96.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69 | -14.8 | 177.2 | 67.9 | 0 | 0 | 0 | 0 | 114.1 | A380 T381 V382 L386 N387 F388 S402 F404 | A380-S384 WeakPolarHBondContact O-CB 3.23Å; A380-S384 PolarHBondContact O-N 3.43Å; A380-S384 PolarHBondContact O-OG 2.52Å; T381-S384 PolarHBondContact O-N 2.92Å; T381-S384 VanDerWaalsContact O-N 3.16Å; T381-S384 PolarHBondContact O-OG 3.33Å; V382-S384 PolarHBondContact O-N 3.05Å; S384-L386 PolarHBondContact O-N 3.22Å; S384-N387 CarbonylContact O-C 3.38Å; S384-N387 VanDerWaalsContact O-O 3.13Å; S384-F388 WeakPolarHBondContact O-CA 3.35Å; S384-F388 PolarHBondContact O-N 3.37Å; S384-S402 PolarHBondContact OG-OG 2.8Å; S384-F404 WeakPolarHBondContact OG-CD2 2.87Å |
| 385 | L | 97.5 | Very high | 95 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -21.7 | 173 | -64.6 | 172.7 | 0 | 0 | 0 | 112.9 | F108 L112 I114 V317 T381 V382 K383 F404 | F108-L385 HydrophobicContact CE2-CD2 4.29Å; F108-L385 WeakPolarHBondContact CE2-O 3.4Å; F108-L385 HydrophobicContact CZ-CD2 4.15Å; L112-L385 HydrophobicContact CD1-CD2 4.37Å; I114-L385 HydrophobicContact CD1-CD1 3.99Å; I114-L385 HydrophobicContact CG1-CD1 3.65Å; V317-L385 HydrophobicContact CB-CD1 4.2Å; V317-L385 HydrophobicContact CG1-CD1 4.49Å; V317-L385 HydrophobicContact CG2-CD1 3.96Å; V317-L385 HydrophobicContact CG2-CD2 4.16Å; T381-L385 PolarHBondContact O-N 3.09Å; V382-L385 WeakPolarHBondContact O-CB 2.98Å; V382-L385 PolarHBondContact O-N 2.82Å; K383-L385 PolarHBondContact O-N 2.67Å; L385-F404 HydrophobicContact CD2-CE2 3.57Å; L385-F404 HydrophobicContact CD2-CZ 3.75Å; L385-F404 HydrophobicContact CG-CE2 4.17Å |
| 386 | L | 96.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -33.5 | 177.8 | -62.5 | 177.5 | 0 | 0 | 0 | 112.4 | V105 I106 E195 L196 F199 Y201 K383 S384 | V105-L386 WeakPolarHBondContact CA-O 3.01Å; V105-L386 HydrophobicContact CG1-CD2 4.14Å; I106-L386 PolarHBondContact N-O 2.99Å; E195-L386 HydrophobicContact CG-CD1 3.96Å; L196-L386 HydrophobicContact CD2-CD1 4.4Å; L196-L386 HydrophobicContact CD2-CD2 3.88Å; L196-L386 HydrophobicContact CD2-CG 4.38Å; F199-L386 HydrophobicContact CB-CD2 4.02Å; F199-L386 HydrophobicContact CD1-CD2 3.87Å; F199-L386 HydrophobicContact CD2-CD1 3.89Å; F199-L386 HydrophobicContact CD2-CD2 3.71Å; F199-L386 HydrophobicContact CD2-CG 4.32Å; F199-L386 HydrophobicContact CE1-CB 4.2Å; F199-L386 HydrophobicContact CE1-CD2 4.23Å; F199-L386 HydrophobicContact CE2-CB 4.37Å; F199-L386 HydrophobicContact CE2-CD1 3.69Å; F199-L386 HydrophobicContact CE2-CD2 4.12Å; F199-L386 HydrophobicContact CE2-CG 4.27Å; F199-L386 HydrophobicContact CG-CD2 3.59Å; F199-L386 HydrophobicContact CZ-CB 4.05Å; F199-L386 HydrophobicContact CZ-CD1 4.21Å; F199-L386 HydrophobicContact CZ-CD2 4.35Å; F199-L386 HydrophobicContact CZ-CG 4.44Å; Y201-L386 HydrophobicContact CE2-CD2 4.25Å; K383-L386 WeakPolarHBondContact O-CB 3.49Å; K383-L386 PolarHBondContact O-N 2.95Å; S384-L386 PolarHBondContact O-N 3.22Å |
| 387 | N | 94.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 45.2 Ų | 45.2 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -141.8 | 90.9 | 174.8 | 177.9 | 13.7 | 0 | 0 | 0 | 108.2 | I106 S384 P389 | I106-N387 HydrophobicContact CB-CB 4.41Å; I106-N387 WeakPolarHBondContact CB-OD1 3.37Å; I106-N387 WeakPolarHBondContact CG2-OD1 3Å; S384-N387 CarbonylContact O-C 3.38Å; S384-N387 VanDerWaalsContact O-O 3.13Å; N387-P389 WeakPolarHBondContact O-CD 3.42Å |
| 388 | F | 95 | Very high | 94.5 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | trans | -73.5 | 105.4 | -170.6 | -161.7 | -103.3 | 0 | 0 | 0 | 110.9 | I106 F108 F354 F358 A361 S384 F404 | I106-F388 PolarHBondContact O-N 3.01Å; F108-F388 HydrophobicContact CD2-CB 4.32Å; F108-F388 HydrophobicContact CE2-CB 3.63Å; F108-F388 AromaticContact CE2-CD2 3.71Å; F108-F388 HydrophobicContact CE2-CD2 3.71Å; F108-F388 AromaticContact CE2-CG 3.82Å; F108-F388 HydrophobicContact CE2-CG 3.82Å; F108-F388 HydrophobicContact CZ-CB 4Å; F108-F388 HydrophobicContact CZ-CD1 4.34Å; F108-F388 AromaticContact CZ-CD2 3.41Å; F108-F388 HydrophobicContact CZ-CD2 3.41Å; F108-F388 VanDerWaalsContact CZ-CD2 3.41Å; F108-F388 AromaticContact CZ-CE2 3.87Å; F108-F388 HydrophobicContact CZ-CE2 3.87Å; F108-F388 AromaticContact CZ-CG 3.67Å; F108-F388 HydrophobicContact CZ-CG 3.67Å; F354-F388 HydrophobicContact CE1-CE2 4.31Å; F354-F388 AromaticContact CE1-CZ 3.91Å; F354-F388 HydrophobicContact CE1-CZ 3.91Å; F354-F388 AromaticContact CZ-CE2 3.74Å; F354-F388 HydrophobicContact CZ-CE2 3.74Å; F354-F388 AromaticContact CZ-CZ 3.74Å; F354-F388 HydrophobicContact CZ-CZ 3.74Å; F358-F388 HydrophobicContact CB-CE1 4.27Å; F358-F388 HydrophobicContact CB-CZ 4.45Å; F358-F388 HydrophobicContact CD1-CD1 4.07Å; F358-F388 AromaticContact CD1-CE1 3.52Å; F358-F388 HydrophobicContact CD1-CE1 3.52Å; F358-F388 HydrophobicContact CD1-CZ 4.4Å; F358-F388 HydrophobicContact CD2-CE1 4.28Å; F358-F388 AromaticContact CE1-CD1 3.92Å; F358-F388 HydrophobicContact CE1-CD1 3.92Å; F358-F388 AromaticContact CE1-CE1 3.85Å; F358-F388 HydrophobicContact CE1-CE1 3.85Å; F358-F388 AromaticContact CG-CE1 3.75Å; F358-F388 HydrophobicContact CG-CE1 3.75Å; F358-F388 HydrophobicContact CG-CZ 4.2Å; F358-F388 HydrophobicContact CZ-CD1 4.33Å; F358-F388 HydrophobicContact CZ-CE1 4.36Å; A361-F388 HydrophobicContact CB-CE1 4.36Å; A361-F388 HydrophobicContact CB-CZ 3.85Å; S384-F388 WeakPolarHBondContact O-CA 3.35Å; S384-F388 PolarHBondContact O-N 3.37Å; F388-F404 HydrophobicContact CD2-CD2 4.2Å; F388-F404 HydrophobicContact CD2-CE2 4.41Å; F388-F404 HydrophobicContact CE2-CB 4.16Å; F388-F404 AromaticContact CE2-CD1 4Å; F388-F404 HydrophobicContact CE2-CD1 4Å; F388-F404 AromaticContact CE2-CD2 3.42Å; F388-F404 HydrophobicContact CE2-CD2 3.42Å; F388-F404 VanDerWaalsContact CE2-CD2 3.42Å; F388-F404 HydrophobicContact CE2-CE1 4.23Å; F388-F404 AromaticContact CE2-CE2 3.71Å; F388-F404 HydrophobicContact CE2-CE2 3.71Å; F388-F404 AromaticContact CE2-CG 3.59Å; F388-F404 HydrophobicContact CE2-CG 3.59Å; F388-F404 HydrophobicContact CE2-CZ 4.11Å; F388-F404 HydrophobicContact CZ-CB 4.17Å; F388-F404 HydrophobicContact CZ-CD1 4.12Å; F388-F404 HydrophobicContact CZ-CD2 4.21Å; F388-F404 AromaticContact CZ-CG 3.91Å; F388-F404 HydrophobicContact CZ-CG 3.91Å | ||
| 389 | P | 85.8 | Confident | 94.3 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 26% | 0.26 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 157.2 | -175.5 | 34.5 | -32.7 | 0 | 0 | 0 | 110.5 | N387 | N387-P389 WeakPolarHBondContact O-CD 3.42Š|
| 390 | P | 88.5 | Confident | 94.2 | Very high | 106 Ų | 106 | 53.1 Ų | 53.1 | 69% | 0.688 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 133.3 | 169.2 | 24.6 | -32.9 | 0 | 0 | 0 | 109.7 | K392 | P390-K392 PolarHBondContact O-N 2.86Š|
| 391 | P | 83.2 | Confident | 94.2 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 29% | 0.292 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 125.7 | 177.9 | -28 | 36.9 | 0 | 0 | 0 | 111.3 | T360 A361 | T360-P391 HydrophobicContact CG2-CB 3.68Å; T360-P391 HydrophobicContact CG2-CG 4.25Å; A361-P391 HydrophobicContact CB-CG 3.86Å |
| 392 | K | 89.7 | Confident | 94.2 | Very high | 140 Ų | 140 | 53 Ų | 53 | 61% | 0.609 | 29% | 0.294 | S | S | * | . | trans | -135.1 | 171.6 | 179.9 | 62.1 | 179.1 | 178.2 | -177 | 0 | 111 | P390 S405 E406 | P390-K392 PolarHBondContact O-N 2.86Å; K392-S405 CarbonylContact O-C 3.45Å; K392-S405 VanDerWaalsContact O-CA 3.25Å; K392-S405 WeakPolarHBondContact O-CA 3.44Å; K392-S405 WeakPolarHBondContact O-CB 3.29Å; K392-E406 PolarHBondContact O-N 3.08Å | ||
| 393 | V | 93.8 | Very high | 94.2 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 58% | 0.582 | 29% | 0.293 | S | S | * | . | B | Isolated β-bridge | trans | -70.3 | 130.8 | 164.6 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | P408 | V393-P408 HydrophobicContact CG1-CG 3.92Å |
| 394 | G | 93.5 | Very high | 94.2 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 146.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E406 P408 | G394-E406 PolarHBondContact N-O 3.04Å; G394-P408 VanDerWaalsContact O-CG 3.29Å; G394-P408 WeakPolarHBondContact O-CG 3.46Å |
| 395 | N | 94.1 | Very high | 94.3 | Very high | 92 Ų | 92 | 48 Ų | 48 | 49% | 0.492 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 119.7 | 175.7 | -176.8 | -4.3 | 0 | 0 | 0 | 109.7 | S397 N398 | N395-S397 PolarHBondContact ND2-OG 2.83Å; N395-S397 PolarHBondContact O-N 3.47Å; N395-S397 VanDerWaalsContact O-N 3.16Å; N395-S397 PolarHBondContact OD1-N 3.11Å; N395-S397 PolarHBondContact OD1-OG 2.87Å; N395-S397 VanDerWaalsContact OD1-OG 3.12Å; N395-N398 WeakPolarHBondContact O-CB 2.96Å; N395-N398 PolarHBondContact O-N 2.82Å |
| 396 | L | 94.8 | Very high | 94.3 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -11.7 | 179.9 | -66.2 | 179.2 | 0 | 0 | 0 | 114.1 | N398 P408 R411 N415 | L396-N398 PolarHBondContact O-N 3.38Å; L396-P408 HydrophobicContact CD1-CB 4.25Å; L396-P408 HydrophobicContact CD1-CG 4.47Å; L396-P408 HydrophobicContact CD2-CB 3.98Å; L396-P408 HydrophobicContact CD2-CG 3.77Å; L396-P408 HydrophobicContact CG-CB 4.21Å; L396-P408 HydrophobicContact CG-CG 3.93Å; L396-R411 HydrophobicContact CD2-CB 3.63Å; L396-R411 HydrophobicContact CD2-CG 3.83Å; L396-N415 HydrophobicContact CB-CB 4.45Å; L396-N415 HydrophobicContact CD2-CB 4.31Å |
| 397 | S | 94.5 | Very high | 94.4 | Very high | 89 Ų | 89 | 49.8 Ų | 49.8 | 62% | 0.622 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.8 | 168.8 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | N395 | N395-S397 PolarHBondContact ND2-OG 2.83Å; N395-S397 PolarHBondContact O-N 3.47Å; N395-S397 VanDerWaalsContact O-N 3.16Å; N395-S397 PolarHBondContact OD1-N 3.11Å; N395-S397 PolarHBondContact OD1-OG 2.87Å; N395-S397 VanDerWaalsContact OD1-OG 3.12Å |
| 398 | N | 95.5 | Very high | 94.4 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -96.3 | 121.2 | 178.2 | -64.5 | -22.9 | 0 | 0 | 0 | 109.7 | N395 L396 G400 | N395-N398 WeakPolarHBondContact O-CB 2.96Å; N395-N398 PolarHBondContact O-N 2.82Å; L396-N398 PolarHBondContact O-N 3.38Å; N398-G400 PolarHBondContact O-N 3.48Å |
| 399 | R | 95.2 | Very high | 94.3 | Very high | 83 Ų | 83 | 48.6 Ų | 48.6 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -59.6 | -30.6 | 176.5 | 68.5 | 168.8 | 172.8 | -139.2 | 8.1 | 114.1 | G167 E172 F376 R411 | G167-R399 PolarHBondContact O-NE 2.79Å; G167-R399 PolarHBondContact O-NH2 2.99Å; E172-R399 IonicContact OE1-CZ 2.8Å; E172-R399 IonicContact OE1-NH1 3.81Å; E172-R399 PolarHBondContact OE1-NH1 2.85Å; E172-R399 IonicContact OE1-NH2 3.7Å; E172-R399 PolarHBondContact OE1-NH2 2.62Å; E172-R399 IonicContact OE2-CZ 2.74Å; E172-R399 VanDerWaalsContact OE2-CZ 3.29Å; E172-R399 IonicContact OE2-NH1 3.71Å; E172-R399 PolarHBondContact OE2-NH1 2.02Å; E172-R399 IonicContact OE2-NH2 2.78Å; E172-R399 PolarHBondContact OE2-NH2 2.91Å; F376-R399 HydrophobicContact CB-CG 4.44Å; F376-R399 HydrophobicContact CD1-CG 4.44Å; F376-R399 HydrophobicContact CG-CG 4.28Å; R399-R411 PolarHBondContact O-NH2 3.28Å |
| 400 | G | 97.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | trans | -117.7 | 124 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | D377 N398 | D377-G400 WeakPolarHBondContact OD1-CA 3.36Å; N398-G400 PolarHBondContact O-N 3.48Å | ||
| 401 | I | 97.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.046 | 27% | 0.271 | C | S | . | . | trans | -120.4 | 124.2 | 178.5 | -61 | 170.6 | 0 | 0 | 0 | 107 | D377 L403 I407 | D377-I401 WeakPolarHBondContact CA-O 3.47Å; D377-I401 VanDerWaalsContact CB-O 3.28Å; D377-I401 WeakPolarHBondContact CB-O 3.27Å; D377-I401 PolarHBondContact OD1-N 3.16Å; I401-L403 PolarHBondContact O-N 3.23Å; I401-I407 HydrophobicContact CB-CG1 4.07Å; I401-I407 HydrophobicContact CG2-CG1 3.78Å | ||
| 402 | S | 97.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | trans | -57.4 | 136 | 175.2 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | S384 F404 S405 | S384-S402 PolarHBondContact OG-OG 2.8Å; S402-F404 PolarHBondContact O-N 3.5Å; S402-F404 VanDerWaalsContact O-N 3.08Å; S402-F404 WeakPolarHBondContact OG-CD2 3.09Å; S402-F404 PolarHBondContact OG-N 3.41Å; S402-S405 WeakPolarHBondContact O-CB 3.24Å; S402-S405 PolarHBondContact O-N 3.4Å | ||
| 403 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.3 | 179 | -65 | 173.7 | 0 | 0 | 0 | 112.8 | L147 I348 V365 N368 T373 L378 T381 I401 S405 I407 | L147-L403 HydrophobicContact CD1-CD1 3.95Å; L147-L403 HydrophobicContact CD1-CD2 4.36Å; L147-L403 HydrophobicContact CD2-CD1 4.29Å; L147-L403 HydrophobicContact CD2-CD2 4.21Å; I348-L403 HydrophobicContact CD1-CD1 4.17Å; I348-L403 HydrophobicContact CG2-CD1 4.44Å; V365-L403 WeakPolarHBondContact CA-O 3.46Å; V365-L403 HydrophobicContact CG2-CB 4.17Å; V365-L403 VanDerWaalsContact CG2-O 3.24Å; V365-L403 WeakPolarHBondContact CG2-O 3.23Å; V365-L403 PolarHBondContact N-O 3.15Å; N368-L403 HydrophobicContact CB-CD2 4.1Å; N368-L403 PolarHBondContact ND2-O 3.37Å; T373-L403 HydrophobicContact CG2-CD2 3.69Å; L378-L403 HydrophobicContact CD2-CD1 4Å; T381-L403 HydrophobicContact CG2-CB 4.13Å; T381-L403 HydrophobicContact CG2-CD1 4.44Å; T381-L403 HydrophobicContact CG2-CG 4.47Å; T381-L403 WeakPolarHBondContact OG1-CG 3.44Å; T381-L403 PolarHBondContact OG1-N 3.04Å; I401-L403 PolarHBondContact O-N 3.23Å; L403-S405 VanDerWaalsContact C-N 3.28Å; L403-I407 HydrophobicContact CD2-CD1 4.07Å |
| 404 | F | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.5 | 172.6 | -56 | -57.2 | 0 | 0 | 0 | 113.3 | L350 F354 A361 N364 V365 T381 S384 L385 F388 S402 | L350-F404 HydrophobicContact CD1-CE1 4.28Å; L350-F404 HydrophobicContact CD2-CE1 3.88Å; L350-F404 HydrophobicContact CD2-CZ 4.18Å; F354-F404 HydrophobicContact CE1-CD1 4.11Å; F354-F404 AromaticContact CE1-CE1 3.7Å; F354-F404 HydrophobicContact CE1-CE1 3.7Å; F354-F404 HydrophobicContact CE1-CZ 4.42Å; F354-F404 HydrophobicContact CZ-CD1 4.39Å; F354-F404 AromaticContact CZ-CE1 3.75Å; F354-F404 HydrophobicContact CZ-CE1 3.75Å; F354-F404 HydrophobicContact CZ-CZ 4.01Å; A361-F404 HydrophobicContact CB-CB 4.09Å; A361-F404 HydrophobicContact CB-CD1 4.05Å; A361-F404 HydrophobicContact CB-CG 4.45Å; N364-F404 PolarHBondContact ND2-O 3.07Å; V365-F404 HydrophobicContact CG2-CD1 3.8Å; V365-F404 HydrophobicContact CG2-CE1 4.14Å; T381-F404 HydrophobicContact CG2-CD2 4.04Å; T381-F404 HydrophobicContact CG2-CE2 3.55Å; T381-F404 HydrophobicContact CG2-CZ 3.98Å; S384-F404 WeakPolarHBondContact OG-CD2 2.87Å; L385-F404 HydrophobicContact CD2-CE2 3.57Å; L385-F404 HydrophobicContact CD2-CZ 3.75Å; L385-F404 HydrophobicContact CG-CE2 4.17Å; F388-F404 HydrophobicContact CD2-CD2 4.2Å; F388-F404 HydrophobicContact CD2-CE2 4.41Å; F388-F404 HydrophobicContact CE2-CB 4.16Å; F388-F404 AromaticContact CE2-CD1 4Å; F388-F404 HydrophobicContact CE2-CD1 4Å; F388-F404 AromaticContact CE2-CD2 3.42Å; F388-F404 HydrophobicContact CE2-CD2 3.42Å; F388-F404 VanDerWaalsContact CE2-CD2 3.42Å; F388-F404 HydrophobicContact CE2-CE1 4.23Å; F388-F404 AromaticContact CE2-CE2 3.71Å; F388-F404 HydrophobicContact CE2-CE2 3.71Å; F388-F404 AromaticContact CE2-CG 3.59Å; F388-F404 HydrophobicContact CE2-CG 3.59Å; F388-F404 HydrophobicContact CE2-CZ 4.11Å; F388-F404 HydrophobicContact CZ-CB 4.17Å; F388-F404 HydrophobicContact CZ-CD1 4.12Å; F388-F404 HydrophobicContact CZ-CD2 4.21Å; F388-F404 AromaticContact CZ-CG 3.91Å; F388-F404 HydrophobicContact CZ-CG 3.91Å; S402-F404 PolarHBondContact O-N 3.5Å; S402-F404 VanDerWaalsContact O-N 3.08Å; S402-F404 WeakPolarHBondContact OG-CD2 3.09Å; S402-F404 PolarHBondContact OG-N 3.41Å |
| 405 | S | 97.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -98 | 147.1 | 169.1 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | N368 K392 S402 L403 I407 | N368-S405 PolarHBondContact ND2-O 2.93Å; K392-S405 CarbonylContact O-C 3.45Å; K392-S405 VanDerWaalsContact O-CA 3.25Å; K392-S405 WeakPolarHBondContact O-CA 3.44Å; K392-S405 WeakPolarHBondContact O-CB 3.29Å; S402-S405 WeakPolarHBondContact O-CB 3.24Å; S402-S405 PolarHBondContact O-N 3.4Å; L403-S405 VanDerWaalsContact C-N 3.28Å; S405-I407 PolarHBondContact O-N 3.43Å |
| 406 | E | 97.8 | Very high | 95.1 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 22% | 0.22 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -69.4 | 120.1 | 176.8 | -178.9 | 177.7 | 146.7 | 0 | 0 | 109.7 | N364 K367 K392 G394 P408 | N364-E406 PolarHBondContact ND2-N 3.26Å; K367-E406 HydrophobicContact CD-CG 4.08Å; K367-E406 WeakPolarHBondContact CE-OE1 3.5Å; K367-E406 WeakPolarHBondContact CE-OE2 3.33Å; K367-E406 IonicContact NZ-OE1 2.95Å; K367-E406 PolarHBondContact NZ-OE1 2.71Å; K367-E406 IonicContact NZ-OE2 3.74Å; K367-E406 PolarHBondContact NZ-OE2 3.21Å; K392-E406 PolarHBondContact O-N 3.08Å; G394-E406 PolarHBondContact N-O 3.04Å; E406-P408 WeakPolarHBondContact O-CD 3.29Å |
| 407 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 122.7 | 171.8 | -64.8 | 172.2 | 0 | 0 | 0 | 108 | N368 R371 T373 I401 L403 S405 A409 R411 | N368-I407 HydrophobicContact CB-CD1 4.25Å; N368-I407 WeakPolarHBondContact OD1-CB 2.98Å; N368-I407 PolarHBondContact OD1-N 3.26Å; R371-I407 HydrophobicContact CB-CB 4.09Å; R371-I407 HydrophobicContact CB-CG2 4.05Å; R371-I407 HydrophobicContact CG-CB 4.31Å; T373-I407 HydrophobicContact CG2-CD1 3.53Å; I401-I407 HydrophobicContact CB-CG1 4.07Å; I401-I407 HydrophobicContact CG2-CG1 3.78Å; L403-I407 HydrophobicContact CD2-CD1 4.07Å; S405-I407 PolarHBondContact O-N 3.43Å; I407-A409 PolarHBondContact O-N 2.87Å; I407-R411 HydrophobicContact CG2-CB 4.23Å |
| 408 | P | 96.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 138.9 | -179 | -25.8 | 35.2 | 0 | 0 | 0 | 112.1 | V393 G394 L396 E406 S410 R411 | V393-P408 HydrophobicContact CG1-CG 3.92Å; G394-P408 VanDerWaalsContact O-CG 3.29Å; G394-P408 WeakPolarHBondContact O-CG 3.46Å; L396-P408 HydrophobicContact CD1-CB 4.25Å; L396-P408 HydrophobicContact CD1-CG 4.47Å; L396-P408 HydrophobicContact CD2-CB 3.98Å; L396-P408 HydrophobicContact CD2-CG 3.77Å; L396-P408 HydrophobicContact CG-CB 4.21Å; L396-P408 HydrophobicContact CG-CG 3.93Å; E406-P408 WeakPolarHBondContact O-CD 3.29Å; P408-S410 PolarHBondContact O-N 3.09Å; P408-S410 VanDerWaalsContact O-N 3.17Å; P408-R411 WeakPolarHBondContact O-CB 3.04Å; P408-R411 PolarHBondContact O-N 3.49Å; P408-R411 VanDerWaalsContact O-N 3.09Å |
| 409 | A | 92.5 | Very high | 94.4 | Very high | 70 Ų | 70 | 32.6 Ų | 32.6 | 58% | 0.579 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I407 R411 | I407-A409 PolarHBondContact O-N 2.87Å; A409-R411 VanDerWaalsContact C-N 3.3Å |
| 410 | S | 92.4 | Very high | 93.9 | Very high | 86 Ų | 86 | 31.2 Ų | 31.2 | 60% | 0.601 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 0.8 | 179.2 | 60.4 | 0 | 0 | 0 | 0 | 114 | P408 D412 | P408-S410 PolarHBondContact O-N 3.09Å; P408-S410 VanDerWaalsContact O-N 3.17Å; S410-D412 PolarHBondContact O-N 3.04Å |
| 411 | R | 93.8 | Very high | 93.3 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 6% | 0.06 | 20% | 0.202 | C | C | . | . | trans | -62.4 | 122.8 | 179 | -173.5 | -178.3 | -175.2 | -171.2 | 8.9 | 110.2 | L372 D377 L396 R399 I407 P408 A409 N415 A416 | L372-R411 PolarHBondContact O-NH1 3.1Å; D377-R411 VanDerWaalsContact CG-NH1 3.26Å; D377-R411 IonicContact OD1-CZ 3.42Å; D377-R411 IonicContact OD1-NH1 3.05Å; D377-R411 PolarHBondContact OD1-NH1 2.88Å; D377-R411 VanDerWaalsContact OD1-NH1 3.14Å; D377-R411 IonicContact OD1-NH2 3.1Å; D377-R411 PolarHBondContact OD1-NH2 3.12Å; D377-R411 IonicContact OD2-CZ 3.29Å; D377-R411 IonicContact OD2-NH1 3.72Å; D377-R411 PolarHBondContact OD2-NH1 3.3Å; D377-R411 IonicContact OD2-NH2 2.7Å; D377-R411 PolarHBondContact OD2-NH2 3.3Å; D377-R411 VanDerWaalsContact OD2-NH2 3.08Å; L396-R411 HydrophobicContact CD2-CB 3.63Å; L396-R411 HydrophobicContact CD2-CG 3.83Å; R399-R411 PolarHBondContact O-NH2 3.28Å; I407-R411 HydrophobicContact CG2-CB 4.23Å; P408-R411 WeakPolarHBondContact O-CB 3.04Å; P408-R411 PolarHBondContact O-N 3.49Å; P408-R411 VanDerWaalsContact O-N 3.09Å; A409-R411 VanDerWaalsContact C-N 3.3Å; R411-N415 HydrophobicContact CG-CB 3.92Å; R411-A416 HydrophobicContact CG-CB 4.47Å | ||
| 412 | D | 90.3 | Very high | 92.9 | Very high | 78 Ų | 78 | 30.2 Ų | 30.2 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | trans | -104.6 | 179.2 | 173.8 | 67 | 24.6 | 0 | 0 | 0 | 112.3 | S410 A414 N415 A416 | S410-D412 PolarHBondContact O-N 3.04Å; D412-A414 VanDerWaalsContact C-N 3.26Å; D412-A414 PolarHBondContact O-N 2.7Å; D412-A414 WeakPolarHBondContact OD1-CA 3.45Å; D412-A414 WeakPolarHBondContact OD1-CB 2.98Å; D412-A414 PolarHBondContact OD1-N 2.87Å; D412-N415 PolarHBondContact N-OD1 2.97Å; D412-N415 PolarHBondContact O-N 3.37Å; D412-N415 PolarHBondContact OD1-N 2.82Å; D412-N415 PolarHBondContact OD1-ND2 2.97Å; D412-N415 PolarHBondContact OD1-OD1 2.75Å; D412-A416 WeakPolarHBondContact O-CB 3.1Å; D412-A416 PolarHBondContact O-N 2.78Å | ||
| 413 | C | 90.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 30 Ų | 30 | 9% | 0.088 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -31.1 | 178.2 | -73.4 | 0 | 0 | 0 | 0 | 113.3 | A416 G417 I418 C423 | C413-A416 PolarHBondContact O-N 3.35Å; C413-G417 PolarHBondContact O-N 3.13Å; C413-G417 VanDerWaalsContact O-N 3.07Å; C413-I418 HydrophobicContact CB-CB 4Å; C413-I418 HydrophobicContact CB-CD1 4.39Å; C413-I418 PolarHBondContact O-N 3.35Å; C413-C423 HydrophobicContact CB-CB 3.71Å; C413-C423 WeakPolarHBondContact CB-SG 3.27Å; C413-C423 WeakPolarHBondContact SG-CB 3.25Å; C413-C423 CovalentContact SG-SG 2.02Å; C413-C423 PolarHBondContact SG-SG 3.13Å |
| 414 | A | 89.4 | Confident | 91.9 | Very high | 82 Ų | 82 | 31.3 Ų | 31.3 | 68% | 0.678 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D412 A416 G417 | D412-A414 VanDerWaalsContact C-N 3.26Å; D412-A414 PolarHBondContact O-N 2.7Å; D412-A414 WeakPolarHBondContact OD1-CA 3.45Å; D412-A414 WeakPolarHBondContact OD1-CB 2.98Å; D412-A414 PolarHBondContact OD1-N 2.87Å; A414-A416 PolarHBondContact O-N 3.38Å; A414-G417 PolarHBondContact O-N 2.88Å |
| 415 | N | 93 | Very high | 90.8 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -36.6 | 173.1 | -52.7 | 152.2 | 0 | 0 | 0 | 111.5 | L396 R411 D412 G417 | L396-N415 HydrophobicContact CB-CB 4.45Å; L396-N415 HydrophobicContact CD2-CB 4.31Å; R411-N415 HydrophobicContact CG-CB 3.92Å; D412-N415 PolarHBondContact N-OD1 2.97Å; D412-N415 PolarHBondContact O-N 3.37Å; D412-N415 PolarHBondContact OD1-N 2.82Å; D412-N415 PolarHBondContact OD1-ND2 2.97Å; D412-N415 PolarHBondContact OD1-OD1 2.75Å; N415-G417 VanDerWaalsContact C-N 3.29Å; N415-G417 PolarHBondContact O-N 3.45Å |
| 416 | A | 95.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -6.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L372 T374 R411 D412 C413 A414 I418 | L372-A416 HydrophobicContact CD2-CB 4.01Å; L372-A416 HydrophobicContact CG-CB 4.37Å; T374-A416 HydrophobicContact CG2-CB 3.85Å; R411-A416 HydrophobicContact CG-CB 4.47Å; D412-A416 WeakPolarHBondContact O-CB 3.1Å; D412-A416 PolarHBondContact O-N 2.78Å; C413-A416 PolarHBondContact O-N 3.35Å; A414-A416 PolarHBondContact O-N 3.38Å; A416-I418 VanDerWaalsContact C-N 3.32Å; A416-I418 HydrophobicContact CB-CD1 3.75Å; A416-I418 HydrophobicContact CB-CG1 3.91Å |
| 417 | G | 91.6 | Very high | 88.6 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 38% | 0.381 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 27.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C413 A414 N415 | C413-G417 PolarHBondContact O-N 3.13Å; C413-G417 VanDerWaalsContact O-N 3.07Å; A414-G417 PolarHBondContact O-N 2.88Å; N415-G417 VanDerWaalsContact C-N 3.29Å; N415-G417 PolarHBondContact O-N 3.45Å |
| 418 | I | 91.3 | Very high | 87.8 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | trans | -91.4 | 120.1 | 178.2 | -57 | 163.7 | 0 | 0 | 0 | 108.5 | N151 V153 L372 T374 C413 A416 W422 C423 | N151-I418 HydrophobicContact CB-CD1 3.85Å; V153-I418 HydrophobicContact CG1-CG1 3.99Å; L372-I418 HydrophobicContact CD1-CD1 3.82Å; L372-I418 HydrophobicContact CD2-CD1 4.06Å; L372-I418 HydrophobicContact CG-CD1 4.18Å; T374-I418 HydrophobicContact CG2-CD1 3.7Å; T374-I418 HydrophobicContact CG2-CG1 3.73Å; C413-I418 HydrophobicContact CB-CB 4Å; C413-I418 HydrophobicContact CB-CD1 4.39Å; C413-I418 PolarHBondContact O-N 3.35Å; A416-I418 VanDerWaalsContact C-N 3.32Å; A416-I418 HydrophobicContact CB-CD1 3.75Å; A416-I418 HydrophobicContact CB-CG1 3.91Å; I418-W422 HydrophobicContact CG2-CB 3.91Å; I418-C423 HydrophobicContact CG2-CB 4.16Å | ||
| 419 | P | 87.7 | Confident | 87.3 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | trans | -60.6 | 149.3 | 174.2 | -20.2 | 31.2 | 0 | 0 | 0 | 111.8 | V153 H421 W422 C423 L539 | V153-P419 VanDerWaalsContact O-CD 3.25Å; V153-P419 WeakPolarHBondContact O-CD 3.34Å; P419-H421 PolarHBondContact O-N 3.38Å; P419-H421 VanDerWaalsContact O-N 3.09Å; P419-W422 PolarHBondContact O-N 2.86Å; P419-C423 PolarHBondContact O-N 3.36Å; P419-C423 VanDerWaalsContact O-N 3.1Å; P419-L539 HydrophobicContact CB-CD2 3.74Å; P419-L539 HydrophobicContact CG-CD2 4.45Å | ||
| 420 | L | 84.2 | Confident | 87.2 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 29% | 0.288 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -36.5 | -174.4 | -164.5 | 78.5 | 0 | 0 | 0 | 113.2 | W422 C423 L426 S506 T523 L525 | L420-W422 PolarHBondContact O-N 2.84Å; L420-C423 PolarHBondContact O-N 3.03Å; L420-L426 HydrophobicContact CD1-CD1 3.29Å; L420-L426 HydrophobicContact CD1-CD2 3.87Å; L420-L426 HydrophobicContact CD1-CG 4.17Å; L420-L426 HydrophobicContact CD2-CD1 4.48Å; L420-L426 HydrophobicContact CG-CD1 3.51Å; L420-L426 WeakPolarHBondContact O-CD1 3.14Å; L420-S506 WeakPolarHBondContact CD2-OG 3.23Å; L420-T523 HydrophobicContact CD2-CG2 4.07Å; L420-L525 HydrophobicContact CD2-CD2 3.88Å |
| 421 | H | 85 | Confident | 87.2 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.3 | 176.8 | -172.1 | 80.3 | 0 | 0 | 0 | 113.7 | R342 P419 T523 L539 | R342-H421 PolarHBondContact NE-O 2.93Å; R342-H421 PolarHBondContact NH2-O 3.09Å; P419-H421 PolarHBondContact O-N 3.38Å; P419-H421 VanDerWaalsContact O-N 3.09Å; H421-T523 WeakPolarHBondContact ND1-CB 3.29Å; H421-T523 PolarHBondContact ND1-N 3.38Å; H421-T523 PolarHBondContact ND1-OG1 3.34Å; H421-L539 HydrophobicContact CB-CB 4.06Å; H421-L539 HydrophobicContact CB-CD1 4.44Å; H421-L539 HydrophobicContact CB-CD2 3.99Å; H421-L539 HydrophobicContact CB-CG 4.39Å; H421-L539 PolarHBondContact CE1-O 3.48Å; H421-L539 PolarHBondContact ND1-O 3.47Å |
| 422 | W | 89.1 | Confident | 87.2 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -11.5 | -177 | -62.3 | 105.4 | 0 | 0 | 0 | 112.9 | N151 G154 D155 E341 R342 I418 P419 L420 S424 | N151-W422 PolarHBondContact ND2-O 2.71Å; N151-W422 PolarHBondContact OD1-O 2.9Å; G154-W422 VanDerWaalsContact C-CE2 3.4Å; D155-W422 VanDerWaalsContact CA-CZ2 3.43Å; D155-W422 HydrophobicContact CB-CH2 3.79Å; D155-W422 HydrophobicContact CB-CZ2 3.42Å; D155-W422 VanDerWaalsContact CB-CZ2 3.42Å; E341-W422 HydrophobicContact CG-CZ3 4.33Å; R342-W422 HydrophobicContact CG-CE3 4Å; R342-W422 HydrophobicContact CG-CZ3 4.43Å; I418-W422 HydrophobicContact CG2-CB 3.91Å; P419-W422 PolarHBondContact O-N 2.86Å; L420-W422 PolarHBondContact O-N 2.84Å; W422-S424 PolarHBondContact O-N 3.13Å |
| 423 | C | 89.1 | Confident | 87.5 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | trans | -70.4 | 112.7 | -177.8 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | C413 I418 P419 L420 C425 L426 | C413-C423 HydrophobicContact CB-CB 3.71Å; C413-C423 WeakPolarHBondContact CB-SG 3.27Å; C413-C423 WeakPolarHBondContact SG-CB 3.25Å; C413-C423 CovalentContact SG-SG 2.02Å; C413-C423 PolarHBondContact SG-SG 3.13Å; I418-C423 HydrophobicContact CG2-CB 4.16Å; P419-C423 PolarHBondContact O-N 3.36Å; P419-C423 VanDerWaalsContact O-N 3.1Å; L420-C423 PolarHBondContact O-N 3.03Å; C423-C425 VanDerWaalsContact C-N 3.29Å; C423-C425 PolarHBondContact O-N 2.85Å; C423-L426 HydrophobicContact CB-CD1 3.91Å; C423-L426 HydrophobicContact CB-CG 4.05Å | ||
| 424 | S | 86 | Confident | 87.6 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -10.9 | 178.4 | -52.8 | 0 | 0 | 0 | 0 | 113.8 | N151 R342 N343 W422 L426 | N151-S424 WeakPolarHBondContact OD1-CB 3.3Å; N151-S424 PolarHBondContact OD1-N 2.84Å; N151-S424 VanDerWaalsContact OD1-N 3.16Å; N151-S424 PolarHBondContact OD1-OG 2.99Å; R342-S424 VanDerWaalsContact CB-OG 3.29Å; R342-S424 WeakPolarHBondContact CB-OG 3.28Å; N343-S424 PolarHBondContact ND2-OG 2.97Å; W422-S424 PolarHBondContact O-N 3.13Å; S424-L426 VanDerWaalsContact C-N 3.26Å; S424-L426 PolarHBondContact O-N 3.44Å |
| 425 | C | 75.5 | Confident | 87.8 | Confident | 86 Ų | 86 | 50 Ų | 50 | 58% | 0.581 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -11.9 | -179.5 | -54.5 | 0 | 0 | 0 | 0 | 113.6 | C423 | C423-C425 VanDerWaalsContact C-N 3.29Å; C423-C425 PolarHBondContact O-N 2.85Å |
| 426 | L | 73.1 | Confident | 87.8 | Confident | 47 Ų | 47 | 55 Ų | 55 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | trans | -80.9 | 136.1 | -172.5 | -61.1 | 170.1 | 0 | 0 | 0 | 112.6 | L420 C423 S424 W428 | L420-L426 HydrophobicContact CD1-CD1 3.29Å; L420-L426 HydrophobicContact CD1-CD2 3.87Å; L420-L426 HydrophobicContact CD1-CG 4.17Å; L420-L426 HydrophobicContact CD2-CD1 4.48Å; L420-L426 HydrophobicContact CG-CD1 3.51Å; L420-L426 WeakPolarHBondContact O-CD1 3.14Å; C423-L426 HydrophobicContact CB-CD1 3.91Å; C423-L426 HydrophobicContact CB-CG 4.05Å; S424-L426 VanDerWaalsContact C-N 3.26Å; S424-L426 PolarHBondContact O-N 3.44Å; L426-W428 HydrophobicContact CD1-CZ2 3.76Å; L426-W428 PolarHBondContact O-N 3.34Å | ||
| 427 | S | 75.2 | Confident | 87.7 | Confident | 73 Ų | 73 | 57 Ų | 57 | 51% | 0.51 | 32% | 0.321 | S | S | . | . | trans | -87.4 | 104.4 | 172.3 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 428 | W | 82.3 | Confident | 87.9 | Confident | 43 Ų | 43 | 55.3 Ų | 55.3 | 16% | 0.163 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 120.2 | 179 | -66.9 | 93.5 | 0 | 0 | 0 | 111.4 | L426 Y472 R508 T523 | L426-W428 HydrophobicContact CD1-CZ2 3.76Å; L426-W428 PolarHBondContact O-N 3.34Å; W428-Y472 HydrophobicContact CB-CD1 4.08Å; W428-Y472 HydrophobicContact CB-CG 4.37Å; W428-R508 HydrophobicContact CE3-CB 3.96Å; W428-R508 HydrophobicContact CH2-CB 3.85Å; W428-R508 HydrophobicContact CZ2-CB 4.45Å; W428-R508 HydrophobicContact CZ3-CB 3.58Å; W428-T523 HydrophobicContact CH2-CG2 3.97Å |
| 429 | K | 86.6 | Confident | 88.1 | Confident | 124 Ų | 124 | 59.6 Ų | 59.6 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 124.8 | 171.9 | -65.2 | -177.5 | -177.2 | 174.1 | 0 | 109.8 | Y472 V473 | K429-Y472 CarbonylContact O-C 3.4Å; K429-Y472 VanDerWaalsContact O-CA 3.24Å; K429-Y472 WeakPolarHBondContact O-CA 3.44Å; K429-V473 HydrophobicContact CB-CG1 4.27Å; K429-V473 PolarHBondContact N-O 3.41Å; K429-V473 PolarHBondContact O-N 3.42Å |
| 430 | K | 90 | Very high | 88.4 | Confident | 135 Ų | 135 | 61.7 Ų | 61.7 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 138.4 | 174.9 | -168.8 | 174.5 | -178.3 | 174.3 | 0 | 109.4 | Y472 | K430-Y472 HydrophobicContact CB-CD1 3.87Å; K430-Y472 HydrophobicContact CB-CE1 3.72Å; K430-Y472 HydrophobicContact CD-CE1 4.31Å; K430-Y472 HydrophobicContact CG-CD1 4.3Å; K430-Y472 HydrophobicContact CG-CE1 3.95Å |
| 431 | F | 91.7 | Very high | 89 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 21% | 0.211 | 31% | 0.307 | C | S | . | . | trans | -134.6 | 178 | 173.8 | 75.5 | -80.5 | 0 | 0 | 0 | 111.1 | T433 A435 I437 S438 A471 Y472 V473 Y507 | F431-T433 PolarHBondContact O-N 3.09Å; F431-A435 HydrophobicContact CD2-CB 4.19Å; F431-A435 HydrophobicContact CE2-CB 4.1Å; F431-I437 HydrophobicContact CE2-CG2 3.64Å; F431-I437 HydrophobicContact CZ-CG2 4.21Å; F431-S438 WeakPolarHBondContact CE2-OG 3.47Å; F431-S438 WeakPolarHBondContact CZ-OG 3.28Å; F431-A471 HydrophobicContact CD1-CB 3.99Å; F431-A471 WeakPolarHBondContact CD1-O 3.38Å; F431-A471 HydrophobicContact CD2-CB 4.43Å; F431-A471 VanDerWaalsContact CE1-C 3.5Å; F431-A471 HydrophobicContact CE1-CB 3.53Å; F431-A471 HydrophobicContact CE2-CB 4.04Å; F431-A471 HydrophobicContact CG-CB 4.42Å; F431-A471 HydrophobicContact CZ-CB 3.57Å; F431-A471 PolarHBondContact N-O 3.03Å; F431-Y472 WeakPolarHBondContact CE1-O 3.36Å; F431-V473 HydrophobicContact CD1-CB 4.13Å; F431-V473 HydrophobicContact CD1-CG1 4.25Å; F431-V473 HydrophobicContact CE1-CB 4.23Å; F431-Y507 AromaticContact CE1-CD1 3.76Å; F431-Y507 HydrophobicContact CE1-CD1 3.76Å; F431-Y507 HydrophobicContact CE1-CE1 4.15Å; F431-Y507 AromaticContact CZ-CD1 3.74Å; F431-Y507 HydrophobicContact CZ-CD1 3.74Å; F431-Y507 AromaticContact CZ-CE1 3.96Å; F431-Y507 HydrophobicContact CZ-CE1 3.96Å | ||
| 432 | S | 94.1 | Very high | 89.6 | Confident | 64 Ų | 64 | 59 Ų | 59 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | trans | -64.9 | 130.4 | -172.8 | -177.9 | 0 | 0 | 0 | 0 | 112.7 | D434 A435 S438 | S432-D434 PolarHBondContact O-N 3.26Å; S432-D434 PolarHBondContact OG-N 2.83Å; S432-D434 VanDerWaalsContact OG-N 3.14Å; S432-A435 WeakPolarHBondContact O-CB 3.03Å; S432-A435 PolarHBondContact O-N 3.49Å; S432-S438 PolarHBondContact O-OG 3.07Å | ||
| 433 | T | 95.7 | Very high | 90 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.1 | 170.9 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | F431 S438 W439 V468 A471 | F431-T433 PolarHBondContact O-N 3.09Å; T433-S438 WeakPolarHBondContact O-CB 3.18Å; T433-W439 PolarHBondContact O-NE1 2.04Å; T433-V468 HydrophobicContact CG2-CG1 4.12Å; T433-A471 HydrophobicContact CG2-CB 4.39Å |
| 434 | D | 93.6 | Very high | 90.3 | Very high | 127 Ų | 127 | 64.3 Ų | 64.3 | 68% | 0.679 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.1 | 178.2 | -56.3 | -37.9 | 0 | 0 | 0 | 112.9 | S432 | S432-D434 PolarHBondContact O-N 3.26Å; S432-D434 PolarHBondContact OG-N 2.83Å; S432-D434 VanDerWaalsContact OG-N 3.14Å |
| 435 | A | 93.4 | Very high | 90.9 | Very high | 28 Ų | 28 | 63 Ų | 63 | 23% | 0.231 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -61.4 | 143.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | F431 S432 I437 S438 W439 | F431-A435 HydrophobicContact CD2-CB 4.19Å; F431-A435 HydrophobicContact CE2-CB 4.1Å; S432-A435 WeakPolarHBondContact O-CB 3.03Å; S432-A435 PolarHBondContact O-N 3.49Å; A435-I437 HydrophobicContact CB-CG2 4.06Å; A435-I437 PolarHBondContact O-N 3.34Å; A435-S438 WeakPolarHBondContact O-CA 3.32Å; A435-S438 VanDerWaalsContact O-CB 3.29Å; A435-S438 WeakPolarHBondContact O-CB 3.44Å; A435-S438 PolarHBondContact O-N 3.19Å; A435-W439 PolarHBondContact O-N 2.03Å |
| 436 | L | 93.4 | Very high | 91.9 | Very high | 154 Ų | 154 | 59.3 Ų | 59.3 | 81% | 0.806 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -53.4 | -40.2 | 178.6 | -177 | 65.6 | 0 | 0 | 0 | 112.1 | S438 W439 Y440 | L436-S438 VanDerWaalsContact C-N 3.33Å; L436-S438 PolarHBondContact O-N 3.42Å; L436-W439 PolarHBondContact O-N 3.2Å; L436-Y440 WeakPolarHBondContact O-CB 3.01Å; L436-Y440 PolarHBondContact O-N 3.29Å |
| 437 | I | 92.3 | Very high | 93.1 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 177.4 | -170.5 | 60.8 | 0 | 0 | 0 | 112.7 | F431 A435 Y440 I441 Y507 | F431-I437 HydrophobicContact CE2-CG2 3.64Å; F431-I437 HydrophobicContact CZ-CG2 4.21Å; A435-I437 HydrophobicContact CB-CG2 4.06Å; A435-I437 PolarHBondContact O-N 3.34Å; I437-Y440 HydrophobicContact CD1-CD1 4.06Å; I437-I441 HydrophobicContact CD1-CD1 4.05Å; I437-I441 HydrophobicContact CD1-CG1 4.17Å; I437-I441 HydrophobicContact CG1-CD1 3.82Å; I437-I441 HydrophobicContact CG1-CG1 4.36Å; I437-I441 WeakPolarHBondContact O-CB 3.45Å; I437-I441 VanDerWaalsContact O-CG1 3.22Å; I437-I441 WeakPolarHBondContact O-CG1 3.35Å; I437-I441 PolarHBondContact O-N 2.97Å; I437-Y507 HydrophobicContact CG1-CE1 4.27Å; I437-Y507 HydrophobicContact CG1-CE2 4.47Å |
| 438 | S | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | F431 S432 T433 A435 L436 A442 L509 | F431-S438 WeakPolarHBondContact CE2-OG 3.47Å; F431-S438 WeakPolarHBondContact CZ-OG 3.28Å; S432-S438 PolarHBondContact O-OG 3.07Å; T433-S438 WeakPolarHBondContact O-CB 3.18Å; A435-S438 WeakPolarHBondContact O-CA 3.32Å; A435-S438 VanDerWaalsContact O-CB 3.29Å; A435-S438 WeakPolarHBondContact O-CB 3.44Å; A435-S438 PolarHBondContact O-N 3.19Å; L436-S438 VanDerWaalsContact C-N 3.33Å; L436-S438 PolarHBondContact O-N 3.42Å; S438-A442 VanDerWaalsContact O-CB 3.25Å; S438-A442 WeakPolarHBondContact O-CB 3.08Å; S438-A442 PolarHBondContact O-N 3.3Å; S438-L509 WeakPolarHBondContact O-CD2 3.49Å |
| 439 | W | 96.1 | Very high | 94.8 | Very high | 100 Ų | 100 | 58.6 Ų | 58.6 | 38% | 0.379 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 178 | -78.9 | 90.9 | 0 | 0 | 0 | 112.4 | T433 A435 L436 I441 A442 D443 L465 V468 | T433-W439 PolarHBondContact O-NE1 2.04Å; A435-W439 PolarHBondContact O-N 2.03Å; L436-W439 PolarHBondContact O-N 3.2Å; W439-I441 PolarHBondContact O-N 3.32Å; W439-A442 PolarHBondContact O-N 2.72Å; W439-D443 WeakPolarHBondContact O-CB 2.99Å; W439-D443 PolarHBondContact O-N 2.96Å; W439-L465 HydrophobicContact CE3-CD2 3.65Å; W439-L465 HydrophobicContact CZ3-CD2 3.64Å; W439-L465 HydrophobicContact CZ3-CG 4.26Å; W439-V468 HydrophobicContact CD2-CG2 4.44Å |
| 440 | Y | 95.1 | Very high | 95.3 | Very high | 91 Ų | 91 | 55 Ų | 55 | 36% | 0.357 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.8 | -50.2 | 174.8 | 174.4 | -110.5 | 0 | 0 | 0 | 111.9 | L436 I437 A442 D443 E444 | L436-Y440 WeakPolarHBondContact O-CB 3.01Å; L436-Y440 PolarHBondContact O-N 3.29Å; I437-Y440 HydrophobicContact CD1-CD1 4.06Å; Y440-A442 PolarHBondContact O-N 2.76Å; Y440-D443 PolarHBondContact O-N 2.9Å; Y440-E444 HydrophobicContact CD2-CG 4.29Å; Y440-E444 HydrophobicContact CE1-CG 4.49Å; Y440-E444 HydrophobicContact CE2-CG 3.85Å; Y440-E444 WeakPolarHBondContact O-CG 3.06Å; Y440-E444 PolarHBondContact O-N 3.01Å |
| 441 | I | 95.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 177.9 | -67.3 | 168.2 | 0 | 0 | 0 | 111 | I437 W439 D443 E444 L445 Y507 L509 V524 L533 | I437-I441 HydrophobicContact CD1-CD1 4.05Å; I437-I441 HydrophobicContact CD1-CG1 4.17Å; I437-I441 HydrophobicContact CG1-CD1 3.82Å; I437-I441 HydrophobicContact CG1-CG1 4.36Å; I437-I441 WeakPolarHBondContact O-CB 3.45Å; I437-I441 VanDerWaalsContact O-CG1 3.22Å; I437-I441 WeakPolarHBondContact O-CG1 3.35Å; I437-I441 PolarHBondContact O-N 2.97Å; W439-I441 PolarHBondContact O-N 3.32Å; I441-D443 PolarHBondContact O-N 3.26Å; I441-E444 PolarHBondContact O-N 3.15Å; I441-L445 HydrophobicContact CG2-CD1 3.91Å; I441-L445 HydrophobicContact CG2-CG 4.31Å; I441-L445 WeakPolarHBondContact O-CB 3.38Å; I441-L445 VanDerWaalsContact O-CG 3.29Å; I441-L445 WeakPolarHBondContact O-CG 3.45Å; I441-L445 PolarHBondContact O-N 2.89Å; I441-Y507 HydrophobicContact CD1-CD1 4.08Å; I441-Y507 HydrophobicContact CD1-CD2 3.79Å; I441-Y507 HydrophobicContact CD1-CE2 4.43Å; I441-Y507 HydrophobicContact CD1-CG 3.58Å; I441-L509 HydrophobicContact CB-CD1 4.28Å; I441-L509 HydrophobicContact CB-CD2 3.87Å; I441-L509 HydrophobicContact CD1-CD1 4.09Å; I441-L509 HydrophobicContact CG2-CD1 3.83Å; I441-L509 HydrophobicContact CG2-CD2 3.77Å; I441-L509 HydrophobicContact CG2-CG 4.33Å; I441-V524 HydrophobicContact CD1-CG2 4.2Å; I441-V524 HydrophobicContact CG1-CG2 4.46Å; I441-V524 HydrophobicContact CG2-CG1 4.43Å; I441-V524 HydrophobicContact CG2-CG2 3.68Å; I441-L533 HydrophobicContact CB-CD2 4.38Å; I441-L533 HydrophobicContact CG1-CD1 4.03Å; I441-L533 HydrophobicContact CG1-CD2 4.16Å; I441-L533 HydrophobicContact CG2-CD2 4.19Å |
| 442 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S438 W439 Y440 L445 V446 L465 V468 L509 I511 | S438-A442 VanDerWaalsContact O-CB 3.25Å; S438-A442 WeakPolarHBondContact O-CB 3.08Å; S438-A442 PolarHBondContact O-N 3.3Å; W439-A442 PolarHBondContact O-N 2.72Å; Y440-A442 PolarHBondContact O-N 2.76Å; A442-L445 PolarHBondContact O-N 2.82Å; A442-V446 WeakPolarHBondContact O-CG2 3.35Å; A442-V446 PolarHBondContact O-N 3.24Å; A442-L465 HydrophobicContact CB-CD1 3.95Å; A442-L465 HydrophobicContact CB-CD2 3.57Å; A442-L465 HydrophobicContact CB-CG 4.44Å; A442-V468 HydrophobicContact CB-CG2 3.67Å; A442-L509 HydrophobicContact CB-CD2 4.13Å; A442-I511 HydrophobicContact CB-CG2 3.76Å |
| 443 | D | 97.5 | Very high | 95.7 | Very high | 71 Ų | 71 | 51 Ų | 51 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 176.8 | -79.1 | -25.5 | 0 | 0 | 0 | 111.8 | W439 Y440 I441 L445 V446 K447 L465 | W439-D443 WeakPolarHBondContact O-CB 2.99Å; W439-D443 PolarHBondContact O-N 2.96Å; Y440-D443 PolarHBondContact O-N 2.9Å; I441-D443 PolarHBondContact O-N 3.26Å; D443-L445 VanDerWaalsContact C-N 3.32Å; D443-L445 PolarHBondContact O-N 2.7Å; D443-V446 PolarHBondContact O-N 2.72Å; D443-K447 VanDerWaalsContact O-CG 3.32Å; D443-K447 WeakPolarHBondContact O-CG 3.32Å; D443-K447 PolarHBondContact O-N 3.49Å; D443-L465 VanDerWaalsContact OD1-CD2 3.23Å; D443-L465 WeakPolarHBondContact OD1-CD2 3.37Å |
| 444 | E | 96.5 | Very high | 95.6 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 176.2 | -68.8 | -54.1 | 127.8 | 0 | 0 | 112.3 | Y440 I441 K447 A448 L533 I535 | Y440-E444 HydrophobicContact CD2-CG 4.29Å; Y440-E444 HydrophobicContact CE1-CG 4.49Å; Y440-E444 HydrophobicContact CE2-CG 3.85Å; Y440-E444 WeakPolarHBondContact O-CG 3.06Å; Y440-E444 PolarHBondContact O-N 3.01Å; I441-E444 PolarHBondContact O-N 3.15Å; E444-K447 PolarHBondContact O-N 3.1Å; E444-K447 IonicContact OE1-NZ 3.59Å; E444-K447 PolarHBondContact OE1-NZ 3.43Å; E444-A448 WeakPolarHBondContact O-CB 3.46Å; E444-A448 PolarHBondContact O-N 3.07Å; E444-L533 HydrophobicContact CB-CD2 3.83Å; E444-L533 HydrophobicContact CG-CD2 4.41Å; E444-I535 HydrophobicContact CB-CD1 4.04Å |
| 445 | L | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 171.7 | -76.6 | 169 | 0 | 0 | 0 | 111.7 | I441 A442 D443 K447 A448 F449 I511 A522 V524 I535 | I441-L445 HydrophobicContact CG2-CD1 3.91Å; I441-L445 HydrophobicContact CG2-CG 4.31Å; I441-L445 WeakPolarHBondContact O-CB 3.38Å; I441-L445 VanDerWaalsContact O-CG 3.29Å; I441-L445 WeakPolarHBondContact O-CG 3.45Å; I441-L445 PolarHBondContact O-N 2.89Å; A442-L445 PolarHBondContact O-N 2.82Å; D443-L445 VanDerWaalsContact C-N 3.32Å; D443-L445 PolarHBondContact O-N 2.7Å; L445-K447 VanDerWaalsContact C-N 3.31Å; L445-K447 PolarHBondContact O-N 2.63Å; L445-A448 WeakPolarHBondContact O-CB 3.33Å; L445-A448 PolarHBondContact O-N 2.94Å; L445-F449 HydrophobicContact CB-CE1 4.39Å; L445-F449 HydrophobicContact CB-CZ 4.16Å; L445-F449 HydrophobicContact CD2-CE1 4.31Å; L445-F449 HydrophobicContact CD2-CZ 4.44Å; L445-F449 WeakPolarHBondContact O-CD1 3.44Å; L445-F449 WeakPolarHBondContact O-CG 3.34Å; L445-F449 PolarHBondContact O-N 2.91Å; L445-I511 HydrophobicContact CB-CD1 4.14Å; L445-I511 HydrophobicContact CD1-CD1 4.35Å; L445-A522 HydrophobicContact CD1-CB 3.79Å; L445-A522 HydrophobicContact CD2-CB 3.71Å; L445-A522 HydrophobicContact CG-CB 4.44Å; L445-V524 HydrophobicContact CD2-CG1 3.89Å; L445-V524 HydrophobicContact CG-CG1 4.43Å; L445-I535 HydrophobicContact CD2-CD1 4.29Å; L445-I535 HydrophobicContact CD2-CG1 4.45Å; L445-I535 HydrophobicContact CD2-CG2 3.92Å |
| 446 | V | 97.9 | Very high | 95.2 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 179.5 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | A442 D443 F449 N450 L463 L465 I511 T513 | A442-V446 WeakPolarHBondContact O-CG2 3.35Å; A442-V446 PolarHBondContact O-N 3.24Å; D443-V446 PolarHBondContact O-N 2.72Å; V446-F449 PolarHBondContact O-N 3.06Å; V446-N450 PolarHBondContact O-N 3.41Å; V446-N450 PolarHBondContact O-ND2 3.48Å; V446-L463 HydrophobicContact CG1-CB 4.34Å; V446-L463 WeakPolarHBondContact CG1-O 3.29Å; V446-L465 HydrophobicContact CG2-CB 4Å; V446-L465 HydrophobicContact CG2-CD1 4.15Å; V446-I511 HydrophobicContact CG2-CD1 3.95Å; V446-T513 HydrophobicContact CG2-CG2 3.83Å |
| 447 | K | 97.3 | Very high | 95.2 | Very high | 122 Ų | 122 | 54 Ų | 54 | 53% | 0.53 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 171.1 | -72.4 | 173.1 | -168.6 | 170.6 | 0 | 111.4 | D443 E444 L445 F449 N450 E451 | D443-K447 VanDerWaalsContact O-CG 3.32Å; D443-K447 WeakPolarHBondContact O-CG 3.32Å; D443-K447 PolarHBondContact O-N 3.49Å; E444-K447 PolarHBondContact O-N 3.1Å; E444-K447 IonicContact OE1-NZ 3.59Å; E444-K447 PolarHBondContact OE1-NZ 3.43Å; L445-K447 VanDerWaalsContact C-N 3.31Å; L445-K447 PolarHBondContact O-N 2.63Å; K447-F449 VanDerWaalsContact C-N 3.31Å; K447-F449 PolarHBondContact O-N 2.7Å; K447-N450 PolarHBondContact O-N 2.8Å; K447-E451 PolarHBondContact O-N 3.1Å |
| 448 | A | 96.5 | Very high | 95.3 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | E444 L445 E451 Q452 I535 L537 | E444-A448 WeakPolarHBondContact O-CB 3.46Å; E444-A448 PolarHBondContact O-N 3.07Å; L445-A448 WeakPolarHBondContact O-CB 3.33Å; L445-A448 PolarHBondContact O-N 2.94Å; A448-E451 PolarHBondContact O-N 3.38Å; A448-Q452 PolarHBondContact O-N 3.3Å; A448-I535 HydrophobicContact CB-CD1 4.16Å; A448-I535 HydrophobicContact CB-CG2 4.3Å; A448-L537 HydrophobicContact CB-CD2 4.1Å |
| 449 | F | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.6 | -59.7 | -10.2 | 0 | 0 | 0 | 111.6 | L445 V446 K447 Q452 L453 L463 I511 Y520 L537 V540 W563 | L445-F449 HydrophobicContact CB-CE1 4.39Å; L445-F449 HydrophobicContact CB-CZ 4.16Å; L445-F449 HydrophobicContact CD2-CE1 4.31Å; L445-F449 HydrophobicContact CD2-CZ 4.44Å; L445-F449 WeakPolarHBondContact O-CD1 3.44Å; L445-F449 WeakPolarHBondContact O-CG 3.34Å; L445-F449 PolarHBondContact O-N 2.91Å; V446-F449 PolarHBondContact O-N 3.06Å; K447-F449 VanDerWaalsContact C-N 3.31Å; K447-F449 PolarHBondContact O-N 2.7Å; F449-Q452 WeakPolarHBondContact O-CB 3.16Å; F449-Q452 PolarHBondContact O-N 3.4Å; F449-L453 WeakPolarHBondContact O-CG 3.5Å; F449-L453 PolarHBondContact O-N 3.48Å; F449-L463 HydrophobicContact CB-CD1 4.17Å; F449-L463 HydrophobicContact CD2-CD1 4.13Å; F449-I511 HydrophobicContact CE2-CD1 3.97Å; F449-I511 HydrophobicContact CZ-CD1 4.44Å; F449-Y520 HydrophobicContact CE2-CD1 4.14Å; F449-Y520 AromaticContact CE2-CD2 3.87Å; F449-Y520 HydrophobicContact CE2-CD2 3.87Å; F449-Y520 HydrophobicContact CE2-CE1 4.49Å; F449-Y520 HydrophobicContact CE2-CE2 4.24Å; F449-Y520 AromaticContact CE2-CG 3.8Å; F449-Y520 HydrophobicContact CE2-CG 3.8Å; F449-Y520 HydrophobicContact CZ-CD1 4.45Å; F449-Y520 HydrophobicContact CZ-CG 4.25Å; F449-L537 HydrophobicContact CD1-CD2 3.8Å; F449-L537 HydrophobicContact CE1-CD2 3.97Å; F449-V540 HydrophobicContact CE1-CB 4.49Å; F449-V540 HydrophobicContact CE1-CG1 3.87Å; F449-V540 HydrophobicContact CE1-CG2 3.95Å; F449-V540 HydrophobicContact CZ-CG1 3.73Å; F449-V540 HydrophobicContact CZ-CG2 4.41Å; F449-W563 HydrophobicContact CB-CG 4.26Å; F449-W563 AromaticContact CD1-CD1 3.7Å; F449-W563 AromaticContact CD1-NE1 3.2Å; F449-W563 AromaticContact CD2-CD1 3.55Å; F449-W563 AromaticContact CD2-NE1 3.81Å; F449-W563 AromaticContact CE1-NE1 3.45Å; F449-W563 AromaticContact CE2-NE1 3.99Å; F449-W563 AromaticContact CG-CD1 3.36Å; F449-W563 HydrophobicContact CG-CG 4.32Å; F449-W563 AromaticContact CG-NE1 3.42Å; F449-W563 AromaticContact CZ-NE1 3.83Å |
| 450 | N | 97.6 | Very high | 95.4 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 178.7 | -76 | -35.9 | 0 | 0 | 0 | 112.7 | V446 K447 Q452 L453 K454 L463 | V446-N450 PolarHBondContact O-N 3.41Å; V446-N450 PolarHBondContact O-ND2 3.48Å; K447-N450 PolarHBondContact O-N 2.8Å; N450-Q452 VanDerWaalsContact C-N 3.31Å; N450-Q452 PolarHBondContact O-N 3.4Å; N450-L453 PolarHBondContact O-N 3.26Å; N450-K454 PolarHBondContact O-N 3.2Å; N450-L463 PolarHBondContact ND2-O 3.05Å; N450-L463 PolarHBondContact OD1-N 3.33Å |
| 451 | E | 96.2 | Very high | 95.4 | Very high | 114 Ų | 114 | 54 Ų | 54 | 53% | 0.533 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 174.1 | -171.5 | 61.4 | -154.6 | 0 | 0 | 111.1 | K447 A448 K454 | K447-E451 PolarHBondContact O-N 3.1Å; A448-E451 PolarHBondContact O-N 3.38Å; E451-K454 WeakPolarHBondContact O-CB 3.36Å; E451-K454 PolarHBondContact O-N 2.79Å; E451-K454 VanDerWaalsContact OE1-CD 3.32Å; E451-K454 WeakPolarHBondContact OE1-CD 3.44Å; E451-K454 IonicContact OE1-NZ 3.43Å; E451-K454 PolarHBondContact OE1-NZ 3.18Å; E451-K454 WeakPolarHBondContact OE2-CD 3.21Å; E451-K454 IonicContact OE2-NZ 2.72Å; E451-K454 PolarHBondContact OE2-NZ 2.9Å; E451-K454 VanDerWaalsContact OE2-NZ 3.09Å |
| 452 | Q | 92.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | 173.5 | -175.2 | 62.2 | 26.7 | 0 | 0 | 112.2 | A448 F449 N450 K454 L537 L560 W563 | A448-Q452 PolarHBondContact O-N 3.3Å; F449-Q452 WeakPolarHBondContact O-CB 3.16Å; F449-Q452 PolarHBondContact O-N 3.4Å; N450-Q452 VanDerWaalsContact C-N 3.31Å; N450-Q452 PolarHBondContact O-N 3.4Å; Q452-K454 VanDerWaalsContact C-N 3.29Å; Q452-K454 PolarHBondContact O-N 3.49Å; Q452-L537 HydrophobicContact CB-CD1 3.78Å; Q452-L537 HydrophobicContact CG-CD1 3.98Å; Q452-L560 HydrophobicContact CG-CD2 3.66Å; Q452-W563 HydrophobicContact CG-CE3 4.33Å; Q452-W563 HydrophobicContact CG-CZ3 4.13Å |
| 453 | L | 94.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.5 | -17.2 | 177.8 | -72.2 | 176 | 0 | 0 | 0 | 113.9 | F449 N450 K455 E456 Q457 C460 L463 W563 C564 | F449-L453 WeakPolarHBondContact O-CG 3.5Å; F449-L453 PolarHBondContact O-N 3.48Å; N450-L453 PolarHBondContact O-N 3.26Å; L453-K455 PolarHBondContact O-N 3.46Å; L453-K455 VanDerWaalsContact O-N 3.09Å; L453-E456 CarbonylContact O-C 3.59Å; L453-E456 VanDerWaalsContact O-C 3.27Å; L453-E456 WeakPolarHBondContact O-CA 3.44Å; L453-E456 PolarHBondContact O-N 2.84Å; L453-Q457 PolarHBondContact O-N 3.21Å; L453-C460 HydrophobicContact CD2-CB 3.96Å; L453-L463 HydrophobicContact CD1-CD1 4.37Å; L453-L463 HydrophobicContact CD1-CG 4.11Å; L453-W563 HydrophobicContact CD1-CB 3.97Å; L453-W563 HydrophobicContact CD2-CB 4.01Å; L453-W563 HydrophobicContact CG-CB 4.07Å; L453-C564 HydrophobicContact CD2-CB 4.13Å |
| 454 | K | 93.6 | Very high | 95.5 | Very high | 107 Ų | 107 | 62.6 Ų | 62.6 | 47% | 0.465 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -53.7 | -33.3 | -176.9 | -169.8 | 176.3 | -178.3 | 174.1 | 0 | 114 | N450 E451 Q452 E456 Q457 | N450-K454 PolarHBondContact O-N 3.2Å; E451-K454 WeakPolarHBondContact O-CB 3.36Å; E451-K454 PolarHBondContact O-N 2.79Å; E451-K454 VanDerWaalsContact OE1-CD 3.32Å; E451-K454 WeakPolarHBondContact OE1-CD 3.44Å; E451-K454 IonicContact OE1-NZ 3.43Å; E451-K454 PolarHBondContact OE1-NZ 3.18Å; E451-K454 WeakPolarHBondContact OE2-CD 3.21Å; E451-K454 IonicContact OE2-NZ 2.72Å; E451-K454 PolarHBondContact OE2-NZ 2.9Å; E451-K454 VanDerWaalsContact OE2-NZ 3.09Å; Q452-K454 VanDerWaalsContact C-N 3.29Å; Q452-K454 PolarHBondContact O-N 3.49Å; K454-E456 PolarHBondContact O-N 2.99Å; K454-Q457 WeakPolarHBondContact O-CG 3.34Å; K454-Q457 PolarHBondContact O-N 2.84Å |
| 455 | K | 87.5 | Confident | 95.6 | Very high | 157 Ų | 157 | 61.7 Ų | 61.7 | 68% | 0.683 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -58.4 | -28 | 175 | -66.2 | 178.4 | -178.5 | 174.5 | 0 | 112.7 | L453 | L453-K455 PolarHBondContact O-N 3.46Å; L453-K455 VanDerWaalsContact O-N 3.09Å |
| 456 | E | 92.7 | Very high | 95.6 | Very high | 28 Ų | 28 | 64.2 Ų | 64.2 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -129.2 | 27.3 | -173.1 | -59.3 | -62.3 | 166.9 | 0 | 0 | 111.7 | L453 K454 M458 L459 C460 I553 K556 L560 | L453-E456 CarbonylContact O-C 3.59Å; L453-E456 VanDerWaalsContact O-C 3.27Å; L453-E456 WeakPolarHBondContact O-CA 3.44Å; L453-E456 PolarHBondContact O-N 2.84Å; K454-E456 PolarHBondContact O-N 2.99Å; E456-M458 PolarHBondContact O-N 2.83Å; E456-L459 PolarHBondContact O-N 2.97Å; E456-C460 PolarHBondContact O-N 3.39Å; E456-I553 HydrophobicContact CB-CD1 3.89Å; E456-I553 HydrophobicContact CG-CD1 3.6Å; E456-K556 WeakPolarHBondContact OE1-CD 3.41Å; E456-K556 WeakPolarHBondContact OE1-CE 3.22Å; E456-K556 IonicContact OE1-NZ 3.49Å; E456-K556 PolarHBondContact OE1-NZ 2.84Å; E456-K556 WeakPolarHBondContact OE2-CE 3.49Å; E456-K556 IonicContact OE2-NZ 2.95Å; E456-K556 PolarHBondContact OE2-NZ 3.41Å; E456-L560 HydrophobicContact CB-CD1 4.1Å; E456-L560 HydrophobicContact CG-CD1 3.55Å |
| 457 | Q | 93.4 | Very high | 95.6 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 54% | 0.542 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -16.6 | -177.3 | 66.6 | 179.6 | -4.3 | 0 | 0 | 114.3 | L453 K454 Y567 | L453-Q457 PolarHBondContact O-N 3.21Å; K454-Q457 WeakPolarHBondContact O-CG 3.34Å; K454-Q457 PolarHBondContact O-N 2.84Å; Q457-Y567 WeakPolarHBondContact O-CE2 3.3Å; Q457-Y567 PolarHBondContact O-OH 2.98Å |
| 458 | M | 94.7 | Very high | 95.6 | Very high | 161 Ų | 161 | 59.6 Ų | 59.6 | 79% | 0.793 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -21.4 | 175.6 | -61.7 | -61.2 | -69.6 | 0 | 0 | 112.4 | E456 | E456-M458 PolarHBondContact O-N 2.83Š|
| 459 | L | 95.5 | Very high | 95.6 | Very high | 56 Ų | 56 | 61.4 Ų | 61.4 | 29% | 0.293 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -43.9 | -180 | -62.3 | 177.8 | 0 | 0 | 0 | 110.9 | E456 I553 K556 C566 Y567 | E456-L459 PolarHBondContact O-N 2.97Å; L459-I553 HydrophobicContact CD1-CD1 3.88Å; L459-K556 HydrophobicContact CD1-CD 4.15Å; L459-C566 WeakPolarHBondContact O-CA 3.23Å; L459-Y567 WeakPolarHBondContact O-CD2 3.4Å; L459-Y567 PolarHBondContact O-N 3.01Å |
| 460 | C | 96.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -102.4 | 125.9 | -172.5 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | L453 E456 C564 | L453-C460 HydrophobicContact CD2-CB 3.96Å; E456-C460 PolarHBondContact O-N 3.39Å; C460-C564 HydrophobicContact CB-CB 3.91Å; C460-C564 WeakPolarHBondContact CB-SG 3.47Å; C460-C564 WeakPolarHBondContact SG-CB 3.41Å; C460-C564 CovalentContact SG-SG 2.04Å; C460-C564 PolarHBondContact SG-SG 3.33Å |
| 461 | S | 96.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 142.7 | 174.1 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | V565 | S461-V565 WeakPolarHBondContact CB-O 3.25Å; S461-V565 PolarHBondContact N-O 2.91Å |
| 462 | P | 97.1 | Very high | 95.3 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 140.4 | 176.3 | 26.8 | -35.1 | 0 | 0 | 0 | 111.8 | ||
| 463 | L | 97.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 142.8 | 176.1 | -58.9 | -175.4 | 0 | 0 | 0 | 111 | V446 F449 N450 L453 N514 Y520 W563 V565 | V446-L463 HydrophobicContact CG1-CB 4.34Å; V446-L463 WeakPolarHBondContact CG1-O 3.29Å; F449-L463 HydrophobicContact CB-CD1 4.17Å; F449-L463 HydrophobicContact CD2-CD1 4.13Å; N450-L463 PolarHBondContact ND2-O 3.05Å; N450-L463 PolarHBondContact OD1-N 3.33Å; L453-L463 HydrophobicContact CD1-CD1 4.37Å; L453-L463 HydrophobicContact CD1-CG 4.11Å; L463-N514 CarbonylContact C-O 3.44Å; L463-N514 WeakPolarHBondContact CA-O 3.37Å; L463-Y520 HydrophobicContact CD1-CE2 4.38Å; L463-Y520 WeakPolarHBondContact CD1-OH 3.45Å; L463-W563 HydrophobicContact CD1-CB 4.01Å; L463-V565 HydrophobicContact CD2-CG2 4.45Å |
| 464 | R | 97.9 | Very high | 94.6 | Very high | 179 Ų | 179 | 55.5 Ų | 55.5 | 68% | 0.675 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.1 | 171.9 | -69.2 | 179.5 | -76.8 | 177.8 | -4 | 109.2 | D466 T513 N514 | R464-D466 PolarHBondContact O-N 3.39Å; R464-T513 CarbonylContact O-C 3.57Å; R464-T513 WeakPolarHBondContact O-CA 3.44Å; R464-T513 VanDerWaalsContact O-CB 3.27Å; R464-T513 WeakPolarHBondContact O-CB 3.46Å; R464-N514 PolarHBondContact N-O 2.83Å; R464-N514 PolarHBondContact O-N 2.93Å |
| 465 | L | 98.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 128.2 | 171.9 | -175.8 | 61.4 | 0 | 0 | 0 | 108.8 | W439 A442 D443 V446 I511 | W439-L465 HydrophobicContact CE3-CD2 3.65Å; W439-L465 HydrophobicContact CZ3-CD2 3.64Å; W439-L465 HydrophobicContact CZ3-CG 4.26Å; A442-L465 HydrophobicContact CB-CD1 3.95Å; A442-L465 HydrophobicContact CB-CD2 3.57Å; A442-L465 HydrophobicContact CB-CG 4.44Å; D443-L465 VanDerWaalsContact OD1-CD2 3.23Å; D443-L465 WeakPolarHBondContact OD1-CD2 3.37Å; V446-L465 HydrophobicContact CG2-CB 4Å; V446-L465 HydrophobicContact CG2-CD1 4.15Å; L465-I511 HydrophobicContact CD1-CB 4.07Å; L465-I511 HydrophobicContact CD1-CD1 4.35Å; L465-I511 HydrophobicContact CD1-CG2 4.37Å |
| 466 | D | 97.2 | Very high | 92.2 | Very high | 53 Ų | 53 | 49.2 Ų | 49.2 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -49.2 | 175.6 | 176.7 | 85.7 | 0 | 0 | 0 | 110.3 | R464 R512 N514 | R464-D466 PolarHBondContact O-N 3.39Å; D466-R512 HydrophobicContact CB-CB 4.47Å; D466-R512 HydrophobicContact CB-CG 4.42Å; D466-R512 WeakPolarHBondContact CB-O 3.39Å; D466-R512 PolarHBondContact N-O 3.43Å; D466-R512 IonicContact OD2-CZ 2.7Å; D466-R512 IonicContact OD2-NE 3.14Å; D466-R512 PolarHBondContact OD2-NE 3.06Å; D466-R512 IonicContact OD2-NH2 2.69Å; D466-R512 PolarHBondContact OD2-NH2 3Å; D466-N514 PolarHBondContact OD1-ND2 2.86Å |
| 467 | S | 97.6 | Very high | 90.4 | Very high | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.154 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 157.9 | 176.8 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | L469 I511 R512 | S467-L469 WeakPolarHBondContact OG-CD2 3.46Å; S467-I511 WeakPolarHBondContact O-CA 3.47Å; S467-R512 PolarHBondContact N-O 3.29Å; S467-R512 PolarHBondContact O-N 3.11Å; S467-R512 PolarHBondContact OG-NE 2.98Å; S467-R512 PolarHBondContact OG-NH2 2.78Å |
| 468 | V | 97.9 | Very high | 88.3 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 9% | 0.085 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.8 | 163.6 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | T433 W439 A442 L509 I511 | T433-V468 HydrophobicContact CG2-CG1 4.12Å; W439-V468 HydrophobicContact CD2-CG2 4.44Å; A442-V468 HydrophobicContact CB-CG2 3.67Å; V468-L509 HydrophobicContact CG1-CD2 4.24Å; V468-I511 HydrophobicContact CG1-CG2 4.5Å; V468-I511 HydrophobicContact CG2-CG2 4.39Å |
| 469 | L | 96.4 | Very high | 86.1 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 34% | 0.335 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -40.6 | -177.4 | -58.3 | -178.4 | 0 | 0 | 0 | 112.1 | S467 T510 R512 I519 | S467-L469 WeakPolarHBondContact OG-CD2 3.46Å; L469-T510 WeakPolarHBondContact CA-O 2.89Å; L469-T510 HydrophobicContact CB-CG2 4.28Å; L469-T510 WeakPolarHBondContact CB-O 3.3Å; L469-T510 HydrophobicContact CD1-CG2 4.33Å; L469-T510 PolarHBondContact N-O 2.82Å; L469-R512 HydrophobicContact CD1-CB 4.16Å; L469-R512 HydrophobicContact CD2-CB 4.38Å; L469-R512 HydrophobicContact CG-CB 4.21Å; L469-I519 HydrophobicContact CD1-CD1 4.19Å; L469-I519 HydrophobicContact CD1-CG1 4.33Å; L469-I519 HydrophobicContact CD1-CG2 3.86Å |
| 470 | E | 95.7 | Very high | 83.9 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 148.2 | 177.1 | -53.6 | -167.3 | 146.9 | 0 | 0 | 110.9 | K338 Y472 L509 T510 | K338-E470 IonicContact NZ-OE2 3.42Å; K338-E470 PolarHBondContact NZ-OE2 2.62Å; E470-Y472 HydrophobicContact CB-CD2 4.42Å; E470-Y472 HydrophobicContact CB-CE2 3.68Å; E470-Y472 HydrophobicContact CG-CE2 4.46Å; E470-Y472 VanDerWaalsContact OE2-CE2 3.25Å; E470-Y472 WeakPolarHBondContact OE2-CE2 3.11Å; E470-Y472 PolarHBondContact OE2-OH 3.36Å; E470-Y472 VanDerWaalsContact OE2-OH 3.05Å; E470-L509 WeakPolarHBondContact O-CA 3.3Å; E470-T510 PolarHBondContact N-O 3.28Å; E470-T510 PolarHBondContact O-N 2.9Å |
| 471 | A | 95.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 128.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | F431 T433 L509 | F431-A471 HydrophobicContact CD1-CB 3.99Å; F431-A471 WeakPolarHBondContact CD1-O 3.38Å; F431-A471 HydrophobicContact CD2-CB 4.43Å; F431-A471 VanDerWaalsContact CE1-C 3.5Å; F431-A471 HydrophobicContact CE1-CB 3.53Å; F431-A471 HydrophobicContact CE2-CB 4.04Å; F431-A471 HydrophobicContact CG-CB 4.42Å; F431-A471 HydrophobicContact CZ-CB 3.57Å; F431-A471 PolarHBondContact N-O 3.03Å; T433-A471 HydrophobicContact CG2-CB 4.39Å; A471-L509 HydrophobicContact CB-CG 4.4Å |
| 472 | Y | 92.4 | Very high | 79.3 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.1 | 177.9 | -58.6 | -96 | 0 | 0 | 0 | 110.7 | W428 K429 K430 F431 E470 Y507 R508 | W428-Y472 HydrophobicContact CB-CD1 4.08Å; W428-Y472 HydrophobicContact CB-CG 4.37Å; K429-Y472 CarbonylContact O-C 3.4Å; K429-Y472 VanDerWaalsContact O-CA 3.24Å; K429-Y472 WeakPolarHBondContact O-CA 3.44Å; K430-Y472 HydrophobicContact CB-CD1 3.87Å; K430-Y472 HydrophobicContact CB-CE1 3.72Å; K430-Y472 HydrophobicContact CD-CE1 4.31Å; K430-Y472 HydrophobicContact CG-CD1 4.3Å; K430-Y472 HydrophobicContact CG-CE1 3.95Å; F431-Y472 WeakPolarHBondContact CE1-O 3.36Å; E470-Y472 HydrophobicContact CB-CD2 4.42Å; E470-Y472 HydrophobicContact CB-CE2 3.68Å; E470-Y472 HydrophobicContact CG-CE2 4.46Å; E470-Y472 VanDerWaalsContact OE2-CE2 3.25Å; E470-Y472 WeakPolarHBondContact OE2-CE2 3.11Å; E470-Y472 PolarHBondContact OE2-OH 3.36Å; E470-Y472 VanDerWaalsContact OE2-OH 3.05Å; Y472-Y507 CarbonylContact O-C 3.58Å; Y472-Y507 WeakPolarHBondContact O-CA 3.37Å; Y472-R508 PolarHBondContact N-O 3.26Å; Y472-R508 PolarHBondContact O-N 2.84Å |
| 473 | V | 89.6 | Confident | 76.8 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.9 | 171.5 | 67.8 | 0 | 0 | 0 | 0 | 108.8 | K429 F431 Q475 S506 Y507 | K429-V473 HydrophobicContact CB-CG1 4.27Å; K429-V473 PolarHBondContact N-O 3.41Å; K429-V473 PolarHBondContact O-N 3.42Å; F431-V473 HydrophobicContact CD1-CB 4.13Å; F431-V473 HydrophobicContact CD1-CG1 4.25Å; F431-V473 HydrophobicContact CE1-CB 4.23Å; V473-Q475 HydrophobicContact CG2-CG 3.71Å; V473-S506 CarbonylContact C-O 3.53Å; V473-S506 WeakPolarHBondContact CA-O 3.44Å; V473-Y507 HydrophobicContact CB-CD1 3.93Å; V473-Y507 HydrophobicContact CB-CE1 3.86Å; V473-Y507 HydrophobicContact CG2-CD1 3.85Å; V473-Y507 HydrophobicContact CG2-CE1 3.55Å |
| 474 | S | 82.4 | Confident | 74.6 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 110.1 | 167.8 | 177 | 0 | 0 | 0 | 0 | 106.5 | S506 | S474-S506 PolarHBondContact N-O 3.04Å; S474-S506 WeakPolarHBondContact O-CB 3.09Å; S474-S506 PolarHBondContact O-N 3.17Å |
| 475 | Q | 70.5 | Confident | 72.6 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 40% | 0.402 | 29% | 0.288 | S | S | . | . | trans | -109.1 | 143.6 | 171.1 | -55.2 | -174.3 | -66.6 | 0 | 0 | 106.9 | V473 E477 D505 | V473-Q475 HydrophobicContact CG2-CG 3.71Å; Q475-E477 PolarHBondContact O-N 3.09Å; Q475-D505 WeakPolarHBondContact CG-OD1 3.38Å; Q475-D505 PolarHBondContact NE2-OD1 2.94Å; Q475-D505 PolarHBondContact NE2-OD2 3.42Å | ||
| 476 | P | 61.8 | Low | 70.6 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | trans | -49.6 | 127.9 | 163.9 | -24.4 | 35 | 0 | 0 | 0 | 108.9 | D478 V481 V502 | P476-D478 PolarHBondContact O-N 3.4Å; P476-V481 HydrophobicContact CB-CG2 3.27Å; P476-V481 HydrophobicContact CG-CG2 4.31Å; P476-V502 HydrophobicContact CG-CB 4.11Å; P476-V502 HydrophobicContact CG-CG1 4.18Å; P476-V502 HydrophobicContact CG-CG2 3.96Å | ||
| 477 | E | 55.4 | Low | 68.3 | Low | 106 Ų | 106 | 61.2 Ų | 61.2 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | trans | -59.3 | 139.4 | 175.6 | -71.9 | -174.7 | 166.2 | 0 | 0 | 109.4 | Q475 D479 F480 V481 | Q475-E477 PolarHBondContact O-N 3.09Å; E477-D479 PolarHBondContact O-N 3.26Å; E477-D479 VanDerWaalsContact O-N 3.12Å; E477-F480 WeakPolarHBondContact O-CB 3.28Å; E477-F480 PolarHBondContact O-N 2.79Å; E477-V481 WeakPolarHBondContact O-CG2 3.43Å; E477-V481 PolarHBondContact O-N 3.19Å; E477-V481 VanDerWaalsContact O-N 3.14Å | ||
| 478 | D | 49.1 | Very low | 66 | Low | 102 Ų | 102 | 62.7 Ų | 62.7 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.8 | -34.6 | -177.9 | -74.1 | -40 | 0 | 0 | 0 | 111.5 | P476 F480 V481 A482 R499 | P476-D478 PolarHBondContact O-N 3.4Å; D478-F480 PolarHBondContact O-N 2.81Å; D478-V481 PolarHBondContact O-N 2.91Å; D478-A482 VanDerWaalsContact O-CB 3.23Å; D478-A482 WeakPolarHBondContact O-CB 3.32Å; D478-A482 PolarHBondContact O-N 2.94Å; D478-R499 IonicContact OD1-CZ 3.06Å; D478-R499 IonicContact OD1-NE 2.65Å |
| 479 | D | 48.8 | Very low | 64.1 | Low | 96 Ų | 96 | 73.9 Ų | 73.9 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.3 | -67 | -4.7 | 0 | 0 | 0 | 112.2 | E477 F483 F496 | E477-D479 PolarHBondContact O-N 3.26Å; E477-D479 VanDerWaalsContact O-N 3.12Å; D479-F483 WeakPolarHBondContact O-CA 3.49Å; D479-F483 VanDerWaalsContact O-CB 3.26Å; D479-F483 WeakPolarHBondContact O-CB 3.17Å; D479-F483 PolarHBondContact O-N 2.69Å; D479-F496 HydrophobicContact CB-CD1 4.43Å; D479-F496 HydrophobicContact CB-CE1 3.64Å; D479-F496 HydrophobicContact CB-CZ 3.98Å; D479-F496 WeakPolarHBondContact O-CD1 3.14Å; D479-F496 WeakPolarHBondContact O-CE1 3.2Å |
| 480 | F | 48.5 | Very low | 62 | Low | 166 Ų | 166 | 75.9 Ų | 75.9 | 73% | 0.728 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.4 | -40.9 | 178.7 | -173.4 | -94.1 | 0 | 0 | 0 | 112 | E477 D478 A482 F483 | E477-F480 WeakPolarHBondContact O-CB 3.28Å; E477-F480 PolarHBondContact O-N 2.79Å; D478-F480 PolarHBondContact O-N 2.81Å; F480-A482 PolarHBondContact O-N 3.45Å; F480-F483 PolarHBondContact O-N 2.86Å |
| 481 | V | 49.5 | Very low | 59.7 | Low | 17 Ų | 17 | 75.7 Ų | 75.7 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71 | -25.3 | -179.3 | -173.7 | 0 | 0 | 0 | 0 | 112 | P476 E477 D478 R499 I500 V502 | P476-V481 HydrophobicContact CB-CG2 3.27Å; P476-V481 HydrophobicContact CG-CG2 4.31Å; E477-V481 WeakPolarHBondContact O-CG2 3.43Å; E477-V481 PolarHBondContact O-N 3.19Å; E477-V481 VanDerWaalsContact O-N 3.14Å; D478-V481 PolarHBondContact O-N 2.91Å; V481-R499 HydrophobicContact CB-CG 4.25Å; V481-R499 HydrophobicContact CG1-CB 4.33Å; V481-R499 HydrophobicContact CG1-CG 3.51Å; V481-I500 HydrophobicContact CG1-CB 4.34Å; V481-I500 WeakPolarHBondContact CG1-O 3.48Å; V481-V502 HydrophobicContact CG2-CG2 4.44Å |
| 482 | A | 47.8 | Very low | 57.9 | Low | 15 Ų | 15 | 85.7 Ų | 85.7 | 12% | 0.124 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -95 | -15.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D478 F480 V484 F496 G497 | D478-A482 VanDerWaalsContact O-CB 3.23Å; D478-A482 WeakPolarHBondContact O-CB 3.32Å; D478-A482 PolarHBondContact O-N 2.94Å; F480-A482 PolarHBondContact O-N 3.45Å; A482-V484 WeakPolarHBondContact O-CG2 3.39Å; A482-V484 PolarHBondContact O-N 2.67Å; A482-F496 HydrophobicContact CB-CB 3.85Å; A482-F496 HydrophobicContact CB-CD1 4.19Å; A482-F496 HydrophobicContact CB-CG 4.44Å; A482-F496 CarbonylContact O-C 3.53Å; A482-F496 VanDerWaalsContact O-CA 3.22Å; A482-F496 WeakPolarHBondContact O-CA 3.22Å; A482-G497 WeakPolarHBondContact CB-O 3.45Å; A482-G497 PolarHBondContact O-N 3.14Å |
| 483 | F | 43.5 | Very low | 55.9 | Low | 98 Ų | 98 | 90.6 Ų | 90.6 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 124.5 | -174.5 | -178.4 | -100 | 0 | 0 | 0 | 112.1 | D479 F480 P494 F496 | D479-F483 WeakPolarHBondContact O-CA 3.49Å; D479-F483 VanDerWaalsContact O-CB 3.26Å; D479-F483 WeakPolarHBondContact O-CB 3.17Å; D479-F483 PolarHBondContact O-N 2.69Å; F480-F483 PolarHBondContact O-N 2.86Å; F483-P494 HydrophobicContact CD2-CB 3.89Å; F483-P494 HydrophobicContact CE2-CB 3.77Å; F483-F496 HydrophobicContact CB-CD1 4.28Å; F483-F496 HydrophobicContact CB-CE1 4.35Å; F483-F496 HydrophobicContact CD2-CE1 4.27Å |
| 484 | V | 51.5 | Low | 54.1 | Low | 85 Ų | 85 | 92.9 Ų | 92.9 | 52% | 0.515 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -52.5 | 179.3 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | A482 R495 | A482-V484 WeakPolarHBondContact O-CG2 3.39Å; A482-V484 PolarHBondContact O-N 2.67Å; V484-R495 PolarHBondContact N-O 3.16Å |
| 485 | E | 55.4 | Low | 52.7 | Low | 89 Ų | 89 | 98.6 Ų | 98.6 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 169.7 | -175.8 | 63 | -172.9 | 171.4 | 0 | 0 | 111.3 | R495 | E485-R495 HydrophobicContact CG-CB 4.01Å; E485-R495 WeakPolarHBondContact O-CA 3.5Å; E485-R495 VanDerWaalsContact O-CB 3.29Å; E485-R495 WeakPolarHBondContact O-CB 3.41Å; E485-R495 PolarHBondContact O-N 3.3Å; E485-R495 VanDerWaalsContact OE1-CD 3.32Å; E485-R495 WeakPolarHBondContact OE1-CD 3.47Å; E485-R495 IonicContact OE1-CZ 2.72Å; E485-R495 IonicContact OE1-NE 2.7Å; E485-R495 IonicContact OE1-NH1 3.06Å; E485-R495 PolarHBondContact OE1-NH1 2.88Å |
| 486 | S | 57.1 | Low | 52.1 | Low | 70 Ų | 70 | 98.9 Ų | 98.9 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 132.8 | 166.6 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | E493 | S486-E493 CarbonylContact C-O 3.51Å |
| 487 | K | 47.7 | Very low | 51.8 | Low | 124 Ų | 124 | 98.4 Ų | 98.4 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 138.6 | 176.1 | -165.8 | -175.1 | 177.9 | -164.8 | 0 | 110.5 | E493 R495 | K487-E493 WeakPolarHBondContact CA-O 3.27Å; K487-E493 HydrophobicContact CB-CB 4.25Å; K487-E493 WeakPolarHBondContact CB-O 3.37Å; K487-E493 PolarHBondContact N-O 3.4Å; K487-R495 HydrophobicContact CB-CB 4.45Å |
| 488 | G | 49.6 | Very low | 51.4 | Low | 53 Ų | 53 | 104.8 Ų | 104.8 | 55% | 0.546 | 52% | 0.516 | S | S | . | . | S | Bend | trans | 92.4 | 156.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D490 G491 | G488-D490 PolarHBondContact O-N 2.89Å; G488-G491 PolarHBondContact O-N 3.01Å; G488-G491 VanDerWaalsContact O-N 3.15Å |
| 489 | Y | 57.5 | Low | 51.2 | Low | 249 Ų | 249 | 107.2 Ų | 107.2 | 98% | 0.976 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.5 | -177.9 | -176.8 | -96 | 0 | 0 | 0 | 113.2 | ||
| 490 | D | 53.6 | Low | 51.4 | Low | 106 Ų | 106 | 108.9 Ų | 108.9 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -3.8 | 178 | 68.8 | -18.3 | 0 | 0 | 0 | 114 | G488 R492 | G488-D490 PolarHBondContact O-N 2.89Å; D490-R492 VanDerWaalsContact C-N 3.32Å; D490-R492 HydrophobicContact CB-CG 4.41Å; D490-R492 PolarHBondContact O-N 3.49Å; D490-R492 VanDerWaalsContact OD2-CD 3.27Å; D490-R492 WeakPolarHBondContact OD2-CD 3.49Å; D490-R492 IonicContact OD2-NE 2.68Å |
| 491 | G | 47.9 | Very low | 51.5 | Low | 36 Ų | 36 | 103.8 Ų | 103.8 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | trans | 65.6 | 22.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G488 | G488-G491 PolarHBondContact O-N 3.01Å; G488-G491 VanDerWaalsContact O-N 3.15Å | ||
| 492 | R | 56.4 | Low | 51.8 | Low | 209 Ų | 209 | 106 Ų | 106 | 79% | 0.789 | 53% | 0.532 | S | S | * | . | trans | -87.7 | -21.7 | -173.2 | -65.3 | -173 | -178.6 | -168 | 0.5 | 115.4 | D490 | D490-R492 VanDerWaalsContact C-N 3.32Å; D490-R492 HydrophobicContact CB-CG 4.41Å; D490-R492 PolarHBondContact O-N 3.49Å; D490-R492 VanDerWaalsContact OD2-CD 3.27Å; D490-R492 WeakPolarHBondContact OD2-CD 3.49Å; D490-R492 IonicContact OD2-NE 2.68Å | ||
| 493 | E | 50.4 | Low | 52.7 | Low | 119 Ų | 119 | 107.4 Ų | 107.4 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.8 | -178.4 | -68.7 | -175.6 | 176.7 | 0 | 0 | 111.1 | S486 K487 | S486-E493 CarbonylContact C-O 3.51Å; K487-E493 WeakPolarHBondContact CA-O 3.27Å; K487-E493 HydrophobicContact CB-CB 4.25Å; K487-E493 WeakPolarHBondContact CB-O 3.37Å; K487-E493 PolarHBondContact N-O 3.4Å |
| 494 | P | 52.4 | Low | 54.2 | Low | 65 Ų | 65 | 106.7 Ų | 106.7 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 142.4 | 175.1 | 29.4 | -33.1 | 0 | 0 | 0 | 112.4 | F483 F496 | F483-P494 HydrophobicContact CD2-CB 3.89Å; F483-P494 HydrophobicContact CE2-CB 3.77Å; P494-F496 HydrophobicContact CB-CE1 4.09Å; P494-F496 HydrophobicContact CB-CE2 3.96Å; P494-F496 HydrophobicContact CB-CZ 3.61Å; P494-F496 HydrophobicContact CG-CE1 4.41Å; P494-F496 HydrophobicContact CG-CE2 3.62Å; P494-F496 HydrophobicContact CG-CZ 3.47Å; P494-F496 VanDerWaalsContact CG-CZ 3.47Å |
| 495 | R | 52.6 | Low | 55.7 | Low | 133 Ų | 133 | 103.7 Ų | 103.7 | 50% | 0.502 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.1 | 168.7 | -173.5 | -174.8 | 176.5 | -170.8 | -1.4 | 109.6 | V484 E485 K487 | V484-R495 PolarHBondContact N-O 3.16Å; E485-R495 HydrophobicContact CG-CB 4.01Å; E485-R495 WeakPolarHBondContact O-CA 3.5Å; E485-R495 VanDerWaalsContact O-CB 3.29Å; E485-R495 WeakPolarHBondContact O-CB 3.41Å; E485-R495 PolarHBondContact O-N 3.3Å; E485-R495 VanDerWaalsContact OE1-CD 3.32Å; E485-R495 WeakPolarHBondContact OE1-CD 3.47Å; E485-R495 IonicContact OE1-CZ 2.72Å; E485-R495 IonicContact OE1-NE 2.7Å; E485-R495 IonicContact OE1-NH1 3.06Å; E485-R495 PolarHBondContact OE1-NH1 2.88Å; K487-R495 HydrophobicContact CB-CB 4.45Å |
| 496 | F | 57.8 | Low | 57.3 | Low | 91 Ų | 91 | 100.1 Ų | 100.1 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.9 | 177.1 | -54.8 | -72.1 | 0 | 0 | 0 | 111.3 | D479 A482 F483 P494 | D479-F496 HydrophobicContact CB-CD1 4.43Å; D479-F496 HydrophobicContact CB-CE1 3.64Å; D479-F496 HydrophobicContact CB-CZ 3.98Å; D479-F496 WeakPolarHBondContact O-CD1 3.14Å; D479-F496 WeakPolarHBondContact O-CE1 3.2Å; A482-F496 HydrophobicContact CB-CB 3.85Å; A482-F496 HydrophobicContact CB-CD1 4.19Å; A482-F496 HydrophobicContact CB-CG 4.44Å; A482-F496 CarbonylContact O-C 3.53Å; A482-F496 VanDerWaalsContact O-CA 3.22Å; A482-F496 WeakPolarHBondContact O-CA 3.22Å; F483-F496 HydrophobicContact CB-CD1 4.28Å; F483-F496 HydrophobicContact CB-CE1 4.35Å; F483-F496 HydrophobicContact CD2-CE1 4.27Å; P494-F496 HydrophobicContact CB-CE1 4.09Å; P494-F496 HydrophobicContact CB-CE2 3.96Å; P494-F496 HydrophobicContact CB-CZ 3.61Å; P494-F496 HydrophobicContact CG-CE1 4.41Å; P494-F496 HydrophobicContact CG-CE2 3.62Å; P494-F496 HydrophobicContact CG-CZ 3.47Å; P494-F496 VanDerWaalsContact CG-CZ 3.47Å |
| 497 | G | 55.3 | Low | 58.9 | Low | 38 Ų | 38 | 98 Ų | 98 | 39% | 0.392 | 48% | 0.483 | S | S | . | . | trans | -114.3 | -159.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A482 | A482-G497 WeakPolarHBondContact CB-O 3.45Å; A482-G497 PolarHBondContact O-N 3.14Å | ||
| 498 | R | 47.6 | Very low | 61.1 | Low | 239 Ų | 239 | 93 Ų | 93 | 90% | 0.902 | 46% | 0.46 | S | S | * | . | trans | -73.6 | 136.9 | 179 | -81.5 | -175.5 | 176 | -179.6 | -0.8 | 111.1 | I500 | R498-I500 PolarHBondContact O-N 3.22Å; R498-I500 VanDerWaalsContact O-N 3.16Å | ||
| 499 | R | 45.1 | Very low | 63.3 | Low | 154 Ų | 154 | 90.5 Ų | 90.5 | 58% | 0.581 | 43% | 0.434 | S | S | * | . | trans | -53.6 | 115.6 | 173.4 | -169.3 | -178.8 | -173.4 | -157.5 | -0.7 | 110.4 | D478 V481 G501 | D478-R499 IonicContact OD1-CZ 3.06Å; D478-R499 IonicContact OD1-NE 2.65Å; V481-R499 HydrophobicContact CB-CG 4.25Å; V481-R499 HydrophobicContact CG1-CB 4.33Å; V481-R499 HydrophobicContact CG1-CG 3.51Å; R499-G501 PolarHBondContact O-N 3.47Å | ||
| 500 | I | 52 | Low | 65.2 | Low | 131 Ų | 131 | 79 Ų | 79 | 67% | 0.672 | 39% | 0.39 | S | S | * | . | trans | -74.3 | 109.7 | 163.7 | -55.7 | 176.3 | 0 | 0 | 0 | 106 | V481 R498 V502 | V481-I500 HydrophobicContact CG1-CB 4.34Å; V481-I500 WeakPolarHBondContact CG1-O 3.48Å; R498-I500 PolarHBondContact O-N 3.22Å; R498-I500 VanDerWaalsContact O-N 3.16Å; I500-V502 PolarHBondContact O-N 3.46Å | ||
| 501 | G | 50.5 | Low | 67.3 | Low | 58 Ų | 58 | 74 Ų | 74 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | trans | -58 | 103.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110 | R499 P503 | R499-G501 PolarHBondContact O-N 3.47Å; G501-P503 VanDerWaalsContact O-CD 3.3Å; G501-P503 WeakPolarHBondContact O-CD 3.49Å | ||
| 502 | V | 55.9 | Low | 69.6 | Low | 65 Ų | 65 | 75.8 Ų | 75.8 | 39% | 0.394 | 36% | 0.359 | S | S | . | . | trans | -72.5 | 114 | 166.7 | -177.4 | 0 | 0 | 0 | 0 | 104.8 | P476 V481 I500 Y504 | P476-V502 HydrophobicContact CG-CB 4.11Å; P476-V502 HydrophobicContact CG-CG1 4.18Å; P476-V502 HydrophobicContact CG-CG2 3.96Å; V481-V502 HydrophobicContact CG2-CG2 4.44Å; I500-V502 PolarHBondContact O-N 3.46Å; V502-Y504 PolarHBondContact O-N 3.02Å | ||
| 503 | P | 67.7 | Low | 71.6 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 28% | 0.279 | 32% | 0.322 | S | S | . | . | trans | -73.5 | -0.3 | -171 | 29.8 | -33.7 | 0 | 0 | 0 | 112.5 | G501 D527 V528 T529 | G501-P503 VanDerWaalsContact O-CD 3.3Å; G501-P503 WeakPolarHBondContact O-CD 3.49Å; P503-D527 CarbonylContact O-C 3.53Å; P503-D527 WeakPolarHBondContact O-CA 3.26Å; P503-V528 PolarHBondContact O-N 3.19Å; P503-T529 HydrophobicContact CB-CG2 3.7Å | ||
| 504 | Y | 74.4 | Confident | 73.8 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.3 | -173.9 | -60 | -69.4 | 0 | 0 | 0 | 111.7 | V502 Y526 D527 L534 | V502-Y504 PolarHBondContact O-N 3.02Å; Y504-Y526 VanDerWaalsContact CA-O 3.3Å; Y504-Y526 WeakPolarHBondContact CA-O 3.49Å; Y504-D527 HydrophobicContact CD1-CB 3.99Å; Y504-D527 HydrophobicContact CE1-CB 3.59Å; Y504-D527 WeakPolarHBondContact CE1-OD2 3.2Å; Y504-D527 PolarHBondContact OH-OD2 3.32Å; Y504-L534 HydrophobicContact CE1-CD1 4.11Å |
| 505 | D | 83.7 | Confident | 75.9 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 137.4 | 161.6 | -77.2 | -35.1 | 0 | 0 | 0 | 109.2 | Q475 Y507 Y526 V528 | Q475-D505 WeakPolarHBondContact CG-OD1 3.38Å; Q475-D505 PolarHBondContact NE2-OD1 2.94Å; Q475-D505 PolarHBondContact NE2-OD2 3.42Å; D505-Y507 HydrophobicContact CB-CD2 4.28Å; D505-Y507 HydrophobicContact CB-CE2 3.56Å; D505-Y526 PolarHBondContact N-O 3.3Å; D505-Y526 PolarHBondContact O-N 2.68Å; D505-V528 HydrophobicContact CB-CG2 4.36Å; D505-V528 WeakPolarHBondContact OD2-CG2 3.43Å |
| 506 | S | 87.9 | Confident | 77.8 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.8 | 176.9 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | L420 V473 S474 L525 | L420-S506 WeakPolarHBondContact CD2-OG 3.23Å; V473-S506 CarbonylContact C-O 3.53Å; V473-S506 WeakPolarHBondContact CA-O 3.44Å; S474-S506 PolarHBondContact N-O 3.04Å; S474-S506 WeakPolarHBondContact O-CB 3.09Å; S474-S506 PolarHBondContact O-N 3.17Å; S506-L525 WeakPolarHBondContact OG-CD2 3.45Å |
| 507 | Y | 91.8 | Very high | 79.5 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.1 | 177.5 | -66.3 | -85.6 | 0 | 0 | 0 | 110.5 | F431 I437 I441 Y472 V473 D505 T523 V524 Y526 | F431-Y507 AromaticContact CE1-CD1 3.76Å; F431-Y507 HydrophobicContact CE1-CD1 3.76Å; F431-Y507 HydrophobicContact CE1-CE1 4.15Å; F431-Y507 AromaticContact CZ-CD1 3.74Å; F431-Y507 HydrophobicContact CZ-CD1 3.74Å; F431-Y507 AromaticContact CZ-CE1 3.96Å; F431-Y507 HydrophobicContact CZ-CE1 3.96Å; I437-Y507 HydrophobicContact CG1-CE1 4.27Å; I437-Y507 HydrophobicContact CG1-CE2 4.47Å; I441-Y507 HydrophobicContact CD1-CD1 4.08Å; I441-Y507 HydrophobicContact CD1-CD2 3.79Å; I441-Y507 HydrophobicContact CD1-CE2 4.43Å; I441-Y507 HydrophobicContact CD1-CG 3.58Å; Y472-Y507 CarbonylContact O-C 3.58Å; Y472-Y507 WeakPolarHBondContact O-CA 3.37Å; V473-Y507 HydrophobicContact CB-CD1 3.93Å; V473-Y507 HydrophobicContact CB-CE1 3.86Å; V473-Y507 HydrophobicContact CG2-CD1 3.85Å; V473-Y507 HydrophobicContact CG2-CE1 3.55Å; D505-Y507 HydrophobicContact CB-CD2 4.28Å; D505-Y507 HydrophobicContact CB-CE2 3.56Å; Y507-T523 CarbonylContact O-C 3.32Å; Y507-T523 VanDerWaalsContact O-CA 3.3Å; Y507-T523 WeakPolarHBondContact O-CA 3.37Å; Y507-V524 PolarHBondContact N-O 3.4Å; Y507-V524 PolarHBondContact O-N 3.31Å; Y507-Y526 HydrophobicContact CE2-CD1 4.31Å; Y507-Y526 HydrophobicContact CE2-CG 4.25Å |
| 508 | R | 92.6 | Very high | 81.4 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.5 | 169 | -175.1 | -175.8 | 67.3 | -173.2 | -3.6 | 109.6 | W428 Y472 E521 A522 | W428-R508 HydrophobicContact CE3-CB 3.96Å; W428-R508 HydrophobicContact CH2-CB 3.85Å; W428-R508 HydrophobicContact CZ2-CB 4.45Å; W428-R508 HydrophobicContact CZ3-CB 3.58Å; Y472-R508 PolarHBondContact N-O 3.26Å; Y472-R508 PolarHBondContact O-N 2.84Å; R508-E521 HydrophobicContact CG-CG 4.06Å; R508-E521 IonicContact NE-OE2 3.36Å; R508-A522 VanDerWaalsContact CA-O 3.28Å; R508-A522 WeakPolarHBondContact CA-O 3.47Å |
| 509 | L | 95.9 | Very high | 83.7 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.4 | 176.9 | -81.8 | 70.4 | 0 | 0 | 0 | 110.4 | S438 I441 A442 V468 E470 A471 I511 E521 A522 | S438-L509 WeakPolarHBondContact O-CD2 3.49Å; I441-L509 HydrophobicContact CB-CD1 4.28Å; I441-L509 HydrophobicContact CB-CD2 3.87Å; I441-L509 HydrophobicContact CD1-CD1 4.09Å; I441-L509 HydrophobicContact CG2-CD1 3.83Å; I441-L509 HydrophobicContact CG2-CD2 3.77Å; I441-L509 HydrophobicContact CG2-CG 4.33Å; A442-L509 HydrophobicContact CB-CD2 4.13Å; V468-L509 HydrophobicContact CG1-CD2 4.24Å; E470-L509 WeakPolarHBondContact O-CA 3.3Å; A471-L509 HydrophobicContact CB-CG 4.4Å; L509-I511 HydrophobicContact CB-CG2 4.14Å; L509-I511 HydrophobicContact CD2-CG2 4.34Å; L509-E521 WeakPolarHBondContact O-CA 3.23Å; L509-A522 PolarHBondContact N-O 3.18Å; L509-A522 PolarHBondContact O-N 2.95Å |
| 510 | T | 96.9 | Very high | 86.2 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.2 | 162 | -55.5 | 0 | 0 | 0 | 0 | 107.6 | K338 L469 E470 I519 Y520 | K338-T510 PolarHBondContact NZ-OG1 2.94Å; L469-T510 WeakPolarHBondContact CA-O 2.89Å; L469-T510 HydrophobicContact CB-CG2 4.28Å; L469-T510 WeakPolarHBondContact CB-O 3.3Å; L469-T510 HydrophobicContact CD1-CG2 4.33Å; L469-T510 PolarHBondContact N-O 2.82Å; E470-T510 PolarHBondContact N-O 3.28Å; E470-T510 PolarHBondContact O-N 2.9Å; T510-I519 HydrophobicContact CG2-CG2 3.57Å; T510-Y520 CarbonylContact C-O 3.56Å; T510-Y520 VanDerWaalsContact CA-O 3.23Å; T510-Y520 WeakPolarHBondContact CA-O 3.39Å |
| 511 | I | 97.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 152.3 | -176.9 | 62.9 | 169.8 | 0 | 0 | 0 | 111 | A442 L445 V446 F449 L465 S467 V468 L509 T513 I519 Y520 | A442-I511 HydrophobicContact CB-CG2 3.76Å; L445-I511 HydrophobicContact CB-CD1 4.14Å; L445-I511 HydrophobicContact CD1-CD1 4.35Å; V446-I511 HydrophobicContact CG2-CD1 3.95Å; F449-I511 HydrophobicContact CE2-CD1 3.97Å; F449-I511 HydrophobicContact CZ-CD1 4.44Å; L465-I511 HydrophobicContact CD1-CB 4.07Å; L465-I511 HydrophobicContact CD1-CD1 4.35Å; L465-I511 HydrophobicContact CD1-CG2 4.37Å; S467-I511 WeakPolarHBondContact O-CA 3.47Å; V468-I511 HydrophobicContact CG1-CG2 4.5Å; V468-I511 HydrophobicContact CG2-CG2 4.39Å; L509-I511 HydrophobicContact CB-CG2 4.14Å; L509-I511 HydrophobicContact CD2-CG2 4.34Å; I511-T513 HydrophobicContact CD1-CG2 4.42Å; I511-I519 WeakPolarHBondContact O-CA 3.12Å; I511-Y520 HydrophobicContact CG1-CD2 4.38Å; I511-Y520 PolarHBondContact N-O 2.59Å; I511-Y520 PolarHBondContact O-N 2.72Å |
| 512 | R | 97.9 | Very high | 90.3 | Very high | 73 Ų | 73 | 34 Ų | 34 | 28% | 0.275 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.6 | 170.8 | -169.5 | 168.7 | 62.4 | -165.6 | -0.5 | 109.6 | D466 S467 L469 K517 A518 I519 | D466-R512 HydrophobicContact CB-CB 4.47Å; D466-R512 HydrophobicContact CB-CG 4.42Å; D466-R512 WeakPolarHBondContact CB-O 3.39Å; D466-R512 PolarHBondContact N-O 3.43Å; D466-R512 IonicContact OD2-CZ 2.7Å; D466-R512 IonicContact OD2-NE 3.14Å; D466-R512 PolarHBondContact OD2-NE 3.06Å; D466-R512 IonicContact OD2-NH2 2.69Å; D466-R512 PolarHBondContact OD2-NH2 3Å; S467-R512 PolarHBondContact N-O 3.29Å; S467-R512 PolarHBondContact O-N 3.11Å; S467-R512 PolarHBondContact OG-NE 2.98Å; S467-R512 PolarHBondContact OG-NH2 2.78Å; L469-R512 HydrophobicContact CD1-CB 4.16Å; L469-R512 HydrophobicContact CD2-CB 4.38Å; L469-R512 HydrophobicContact CG-CB 4.21Å; R512-K517 HydrophobicContact CG-CB 4.26Å; R512-A518 CarbonylContact C-O 3.45Å; R512-A518 WeakPolarHBondContact CA-O 3.3Å; R512-I519 HydrophobicContact CG-CG1 4.46Å |
| 513 | T | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.9 | 173.5 | 76.5 | 0 | 0 | 0 | 0 | 111.4 | V446 R464 I511 K517 A518 Y520 | V446-T513 HydrophobicContact CG2-CG2 3.83Å; R464-T513 CarbonylContact O-C 3.57Å; R464-T513 WeakPolarHBondContact O-CA 3.44Å; R464-T513 VanDerWaalsContact O-CB 3.27Å; R464-T513 WeakPolarHBondContact O-CB 3.46Å; I511-T513 HydrophobicContact CD1-CG2 4.42Å; T513-K517 CarbonylContact O-C 3.51Å; T513-K517 WeakPolarHBondContact O-CA 3.49Å; T513-K517 PolarHBondContact O-N 2.83Å; T513-A518 PolarHBondContact N-O 3.44Å; T513-A518 PolarHBondContact O-N 2.84Å; T513-A518 VanDerWaalsContact O-N 3.1Å; T513-Y520 HydrophobicContact CG2-CD2 3.92Å; T513-Y520 HydrophobicContact CG2-CE2 3.67Å; T513-Y520 WeakPolarHBondContact OG1-CE2 3.46Å |
| 514 | N | 96.9 | Very high | 93 | Very high | 47 Ų | 47 | 29.2 Ų | 29.2 | 25% | 0.251 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 152.6 | 162.7 | -73.8 | -42.3 | 0 | 0 | 0 | 109.8 | L463 R464 D466 | L463-N514 CarbonylContact C-O 3.44Å; L463-N514 WeakPolarHBondContact CA-O 3.37Å; R464-N514 PolarHBondContact N-O 2.83Å; R464-N514 PolarHBondContact O-N 2.93Å; D466-N514 PolarHBondContact OD1-ND2 2.86Å |
| 515 | P | 95 | Very high | 93.7 | Very high | 17 Ų | 17 | 28.2 Ų | 28.2 | 11% | 0.11 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -71.4 | 171.4 | -0.9 | 31.6 | -38.3 | 0 | 0 | 0 | 113.8 | K517 V565 L570 | P515-K517 VanDerWaalsContact C-N 3.3Å; P515-K517 PolarHBondContact O-N 2.92Å; P515-K517 VanDerWaalsContact O-N 3.17Å; P515-V565 HydrophobicContact CB-CG1 4.37Å; P515-V565 HydrophobicContact CG-CB 3.75Å; P515-V565 HydrophobicContact CG-CG1 3.7Å; P515-V565 HydrophobicContact CG-CG2 3.99Å; P515-L570 HydrophobicContact CB-CD2 3.6Å; P515-L570 HydrophobicContact CG-CD2 3.38Å |
| 516 | R | 92.5 | Very high | 93.8 | Very high | 144 Ų | 144 | 29.4 Ų | 29.4 | 54% | 0.543 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 13.8 | 170.3 | -60.4 | -73.4 | -62.4 | -178.1 | -2.2 | 117.6 | A518 V565 | R516-A518 PolarHBondContact O-N 2.71Å; R516-V565 HydrophobicContact CG-CG1 3.83Å |
| 517 | K | 94.4 | Very high | 93.6 | Very high | 127 Ų | 127 | 28.9 Ų | 28.9 | 55% | 0.552 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 42 | 174.6 | -66.1 | -176.4 | -179.7 | 177.7 | 0 | 112.6 | R512 T513 P515 N544 | R512-K517 HydrophobicContact CG-CB 4.26Å; T513-K517 CarbonylContact O-C 3.51Å; T513-K517 WeakPolarHBondContact O-CA 3.49Å; T513-K517 PolarHBondContact O-N 2.83Å; P515-K517 VanDerWaalsContact C-N 3.3Å; P515-K517 PolarHBondContact O-N 2.92Å; P515-K517 VanDerWaalsContact O-N 3.17Å; K517-N544 PolarHBondContact O-ND2 3.17Å |
| 518 | A | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 136.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | R512 T513 R516 Y520 R542 | R512-A518 CarbonylContact C-O 3.45Å; R512-A518 WeakPolarHBondContact CA-O 3.3Å; T513-A518 PolarHBondContact N-O 3.44Å; T513-A518 PolarHBondContact O-N 2.84Å; T513-A518 VanDerWaalsContact O-N 3.1Å; R516-A518 PolarHBondContact O-N 2.71Å; A518-Y520 HydrophobicContact CB-CD2 4.45Å; A518-Y520 HydrophobicContact CB-CE2 3.52Å; A518-R542 VanDerWaalsContact CA-NH2 3.33Å |
| 519 | I | 96.6 | Very high | 92.3 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.4 | 179.2 | -50.3 | 177.2 | 0 | 0 | 0 | 109.5 | L469 T510 I511 R512 R542 V543 N544 | L469-I519 HydrophobicContact CD1-CD1 4.19Å; L469-I519 HydrophobicContact CD1-CG1 4.33Å; L469-I519 HydrophobicContact CD1-CG2 3.86Å; T510-I519 HydrophobicContact CG2-CG2 3.57Å; I511-I519 WeakPolarHBondContact O-CA 3.12Å; R512-I519 HydrophobicContact CG-CG1 4.46Å; I519-R542 WeakPolarHBondContact O-CD 3.42Å; I519-V543 HydrophobicContact CB-CG2 3.74Å; I519-V543 HydrophobicContact CG2-CG2 3.36Å; I519-V543 PolarHBondContact O-N 3.26Å; I519-N544 PolarHBondContact N-OD1 2.83Å |
| 520 | Y | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.1 | 179.1 | -53.4 | -88.7 | 0 | 0 | 0 | 110.5 | F449 L463 T510 I511 T513 A518 V540 S541 R542 I562 W563 | F449-Y520 HydrophobicContact CE2-CD1 4.14Å; F449-Y520 AromaticContact CE2-CD2 3.87Å; F449-Y520 HydrophobicContact CE2-CD2 3.87Å; F449-Y520 HydrophobicContact CE2-CE1 4.49Å; F449-Y520 HydrophobicContact CE2-CE2 4.24Å; F449-Y520 AromaticContact CE2-CG 3.8Å; F449-Y520 HydrophobicContact CE2-CG 3.8Å; F449-Y520 HydrophobicContact CZ-CD1 4.45Å; F449-Y520 HydrophobicContact CZ-CG 4.25Å; L463-Y520 HydrophobicContact CD1-CE2 4.38Å; L463-Y520 WeakPolarHBondContact CD1-OH 3.45Å; T510-Y520 CarbonylContact C-O 3.56Å; T510-Y520 VanDerWaalsContact CA-O 3.23Å; T510-Y520 WeakPolarHBondContact CA-O 3.39Å; I511-Y520 HydrophobicContact CG1-CD2 4.38Å; I511-Y520 PolarHBondContact N-O 2.59Å; I511-Y520 PolarHBondContact O-N 2.72Å; T513-Y520 HydrophobicContact CG2-CD2 3.92Å; T513-Y520 HydrophobicContact CG2-CE2 3.67Å; T513-Y520 WeakPolarHBondContact OG1-CE2 3.46Å; A518-Y520 HydrophobicContact CB-CD2 4.45Å; A518-Y520 HydrophobicContact CB-CE2 3.52Å; Y520-V540 HydrophobicContact CD1-CG1 4.18Å; Y520-S541 CarbonylContact C-O 3.55Å; Y520-S541 VanDerWaalsContact CA-O 3.3Å; Y520-S541 WeakPolarHBondContact CA-O 3.37Å; Y520-R542 PolarHBondContact OH-NH1 2.99Å; Y520-I562 HydrophobicContact CD1-CG2 4.41Å; Y520-I562 HydrophobicContact CE1-CG2 4.11Å; Y520-I562 VanDerWaalsContact CE1-O 3.28Å; Y520-I562 WeakPolarHBondContact CE1-O 3.28Å; Y520-I562 PolarHBondContact OH-O 2.78Å; Y520-W563 AromaticContact CE1-CD1 3.52Å; Y520-W563 HydrophobicContact CE1-CG 4.34Å; Y520-W563 AromaticContact CZ-CD1 3.96Å; Y520-W563 WeakPolarHBondContact OH-CA 3.21Å |
| 521 | E | 94.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.5 | 166.8 | -176.8 | 169.5 | 73.2 | 0 | 0 | 108.2 | R332 K338 R342 R508 L509 S541 V543 | R332-E521 IonicContact CZ-OE1 3.91Å; R332-E521 IonicContact NH1-OE1 2.71Å; R332-E521 IonicContact NH2-OE1 3.55Å; R332-E521 PolarHBondContact NH2-OE1 2.96Å; K338-E521 WeakPolarHBondContact CD-OE2 3.32Å; K338-E521 WeakPolarHBondContact CE-OE2 3.26Å; K338-E521 IonicContact NZ-OE2 3.88Å; K338-E521 PolarHBondContact NZ-OE2 3.28Å; R342-E521 IonicContact NH2-OE1 2.63Å; R342-E521 PolarHBondContact NH2-OE1 3.09Å; R508-E521 HydrophobicContact CG-CG 4.06Å; R508-E521 IonicContact NE-OE2 3.36Å; L509-E521 WeakPolarHBondContact O-CA 3.23Å; E521-S541 PolarHBondContact N-O 3.27Å; E521-S541 PolarHBondContact O-N 2.9Å; E521-V543 HydrophobicContact CB-CG1 3.84Å |
| 522 | A | 94.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L445 R508 L509 V540 | L445-A522 HydrophobicContact CD1-CB 3.79Å; L445-A522 HydrophobicContact CD2-CB 3.71Å; L445-A522 HydrophobicContact CG-CB 4.44Å; R508-A522 VanDerWaalsContact CA-O 3.28Å; R508-A522 WeakPolarHBondContact CA-O 3.47Å; L509-A522 PolarHBondContact N-O 3.18Å; L509-A522 PolarHBondContact O-N 2.95Å; A522-V540 HydrophobicContact CB-CG2 3.94Å |
| 523 | T | 90.8 | Very high | 89.9 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.7 | 168.5 | -63.9 | 0 | 0 | 0 | 0 | 109.3 | L420 H421 W428 Y507 L539 | L420-T523 HydrophobicContact CD2-CG2 4.07Å; H421-T523 WeakPolarHBondContact ND1-CB 3.29Å; H421-T523 PolarHBondContact ND1-N 3.38Å; H421-T523 PolarHBondContact ND1-OG1 3.34Å; W428-T523 HydrophobicContact CH2-CG2 3.97Å; Y507-T523 CarbonylContact O-C 3.32Å; Y507-T523 VanDerWaalsContact O-CA 3.3Å; Y507-T523 WeakPolarHBondContact O-CA 3.37Å; T523-L539 PolarHBondContact N-O 2.68Å |
| 524 | V | 90.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149.3 | -178.8 | -61 | 0 | 0 | 0 | 0 | 109.7 | I441 L445 Y507 L533 I535 | I441-V524 HydrophobicContact CD1-CG2 4.2Å; I441-V524 HydrophobicContact CG1-CG2 4.46Å; I441-V524 HydrophobicContact CG2-CG1 4.43Å; I441-V524 HydrophobicContact CG2-CG2 3.68Å; L445-V524 HydrophobicContact CD2-CG1 3.89Å; L445-V524 HydrophobicContact CG-CG1 4.43Å; Y507-V524 PolarHBondContact N-O 3.4Å; Y507-V524 PolarHBondContact O-N 3.31Å; V524-L533 HydrophobicContact CB-CD1 3.88Å; V524-L533 HydrophobicContact CB-CG 4.22Å; V524-L533 HydrophobicContact CG2-CD1 3.65Å; V524-L533 HydrophobicContact CG2-CG 4.4Å; V524-I535 HydrophobicContact CG1-CG1 4.05Å |
| 525 | L | 87.9 | Confident | 89 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.3 | 171.9 | -61.9 | 176.4 | 0 | 0 | 0 | 108.7 | L420 S506 L534 | L420-L525 HydrophobicContact CD2-CD2 3.88Å; S506-L525 WeakPolarHBondContact OG-CD2 3.45Å; L525-L534 HydrophobicContact CB-CB 4.21Å; L525-L534 HydrophobicContact CB-CD1 4.36Å; L525-L534 PolarHBondContact N-O 3.47Å; L525-L534 PolarHBondContact O-N 2.79Å |
| 526 | Y | 86.1 | Confident | 88.6 | Confident | 47 Ų | 47 | 52 Ų | 52 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 113.6 | 174.6 | -178.5 | -112.2 | 0 | 0 | 0 | 109.3 | Y504 D505 Y507 V528 L533 | Y504-Y526 VanDerWaalsContact CA-O 3.3Å; Y504-Y526 WeakPolarHBondContact CA-O 3.49Å; D505-Y526 PolarHBondContact N-O 3.3Å; D505-Y526 PolarHBondContact O-N 2.68Å; Y507-Y526 HydrophobicContact CE2-CD1 4.31Å; Y507-Y526 HydrophobicContact CE2-CG 4.25Å; Y526-V528 HydrophobicContact CD1-CG2 3.93Å; Y526-V528 HydrophobicContact CE1-CB 4.5Å; Y526-V528 HydrophobicContact CE1-CG2 4.23Å; Y526-V528 PolarHBondContact O-N 3.35Å; Y526-L533 HydrophobicContact CD2-CD1 4.21Å |
| 527 | D | 83.6 | Confident | 88.4 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 101 | 170.9 | -167 | -40.5 | 0 | 0 | 0 | 108.5 | P503 Y504 T529 K530 A531 V532 | P503-D527 CarbonylContact O-C 3.53Å; P503-D527 WeakPolarHBondContact O-CA 3.26Å; Y504-D527 HydrophobicContact CD1-CB 3.99Å; Y504-D527 HydrophobicContact CE1-CB 3.59Å; Y504-D527 WeakPolarHBondContact CE1-OD2 3.2Å; Y504-D527 PolarHBondContact OH-OD2 3.32Å; D527-T529 PolarHBondContact O-N 2.92Å; D527-T529 WeakPolarHBondContact OD1-CA 3.32Å; D527-T529 WeakPolarHBondContact OD1-CB 3.27Å; D527-T529 PolarHBondContact OD1-N 3.44Å; D527-T529 PolarHBondContact OD1-OG1 3.46Å; D527-K530 HydrophobicContact CB-CB 4.19Å; D527-K530 PolarHBondContact O-N 2.89Å; D527-K530 PolarHBondContact OD1-N 2.91Å; D527-K530 WeakPolarHBondContact OD2-CD 3.21Å; D527-A531 WeakPolarHBondContact O-CA 3.45Å; D527-A531 PolarHBondContact O-N 3.01Å; D527-V532 PolarHBondContact N-O 3.39Å; D527-V532 PolarHBondContact O-N 2.87Å |
| 528 | V | 78.8 | Confident | 87.8 | Confident | 76 Ų | 76 | 44.9 Ų | 44.9 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29.2 | -179.8 | -175.1 | 0 | 0 | 0 | 0 | 111 | P503 D505 Y526 | P503-V528 PolarHBondContact O-N 3.19Å; D505-V528 HydrophobicContact CB-CG2 4.36Å; D505-V528 WeakPolarHBondContact OD2-CG2 3.43Å; Y526-V528 HydrophobicContact CD1-CG2 3.93Å; Y526-V528 HydrophobicContact CE1-CB 4.5Å; Y526-V528 HydrophobicContact CE1-CG2 4.23Å; Y526-V528 PolarHBondContact O-N 3.35Å |
| 529 | T | 78.6 | Confident | 87.2 | Confident | 105 Ų | 105 | 46.3 Ų | 46.3 | 64% | 0.644 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -36.1 | -177.8 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | P503 D527 | P503-T529 HydrophobicContact CB-CG2 3.7Å; D527-T529 PolarHBondContact O-N 2.92Å; D527-T529 WeakPolarHBondContact OD1-CA 3.32Å; D527-T529 WeakPolarHBondContact OD1-CB 3.27Å; D527-T529 PolarHBondContact OD1-N 3.44Å; D527-T529 PolarHBondContact OD1-OG1 3.46Å |
| 530 | K | 81.2 | Confident | 86.9 | Confident | 143 Ų | 143 | 45.6 Ų | 45.6 | 62% | 0.622 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -10 | 179.2 | -61.6 | 179.7 | -172.1 | 165.9 | 0 | 113.3 | D527 V532 | D527-K530 HydrophobicContact CB-CB 4.19Å; D527-K530 PolarHBondContact O-N 2.89Å; D527-K530 PolarHBondContact OD1-N 2.91Å; D527-K530 WeakPolarHBondContact OD2-CD 3.21Å; K530-V532 HydrophobicContact CB-CB 4.28Å; K530-V532 HydrophobicContact CB-CG2 3.92Å; K530-V532 PolarHBondContact O-N 3.39Å |
| 531 | A | 81.8 | Confident | 86.7 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 45% | 0.446 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 37.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D527 | D527-A531 WeakPolarHBondContact O-CA 3.45Å; D527-A531 PolarHBondContact O-N 3.01Å |
| 532 | V | 85.1 | Confident | 86.5 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 41% | 0.406 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.3 | -178.5 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | D527 K530 L534 | D527-V532 PolarHBondContact N-O 3.39Å; D527-V532 PolarHBondContact O-N 2.87Å; K530-V532 HydrophobicContact CB-CB 4.28Å; K530-V532 HydrophobicContact CB-CG2 3.92Å; K530-V532 PolarHBondContact O-N 3.39Å; V532-L534 HydrophobicContact CG1-CD2 4.16Å |
| 533 | L | 89.3 | Confident | 86.3 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.12 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124 | 171.4 | -163.4 | 68.2 | 0 | 0 | 0 | 110.2 | I441 E444 V524 Y526 I535 | I441-L533 HydrophobicContact CB-CD2 4.38Å; I441-L533 HydrophobicContact CG1-CD1 4.03Å; I441-L533 HydrophobicContact CG1-CD2 4.16Å; I441-L533 HydrophobicContact CG2-CD2 4.19Å; E444-L533 HydrophobicContact CB-CD2 3.83Å; E444-L533 HydrophobicContact CG-CD2 4.41Å; V524-L533 HydrophobicContact CB-CD1 3.88Å; V524-L533 HydrophobicContact CB-CG 4.22Å; V524-L533 HydrophobicContact CG2-CD1 3.65Å; V524-L533 HydrophobicContact CG2-CG 4.4Å; Y526-L533 HydrophobicContact CD2-CD1 4.21Å; L533-I535 HydrophobicContact CD2-CD1 3.86Å; L533-I535 HydrophobicContact CD2-CG1 3.85Å; L533-I535 HydrophobicContact CG-CD1 4.48Å; L533-I535 HydrophobicContact CG-CG1 3.98Å |
| 534 | L | 86.9 | Confident | 86.2 | Confident | 82 Ų | 82 | 47.5 Ų | 47.5 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 110.3 | 171.8 | -53.4 | 177.3 | 0 | 0 | 0 | 108.1 | Y504 L525 V532 | Y504-L534 HydrophobicContact CE1-CD1 4.11Å; L525-L534 HydrophobicContact CB-CB 4.21Å; L525-L534 HydrophobicContact CB-CD1 4.36Å; L525-L534 PolarHBondContact N-O 3.47Å; L525-L534 PolarHBondContact O-N 2.79Å; V532-L534 HydrophobicContact CG1-CD2 4.16Å |
| 535 | I | 89.9 | Confident | 85.9 | Confident | 53 Ų | 53 | 50.5 Ų | 50.5 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | trans | -107 | 122.8 | 178 | -58.5 | 175.2 | 0 | 0 | 0 | 108.1 | E444 L445 A448 V524 L533 L537 | E444-I535 HydrophobicContact CB-CD1 4.04Å; L445-I535 HydrophobicContact CD2-CD1 4.29Å; L445-I535 HydrophobicContact CD2-CG1 4.45Å; L445-I535 HydrophobicContact CD2-CG2 3.92Å; A448-I535 HydrophobicContact CB-CD1 4.16Å; A448-I535 HydrophobicContact CB-CG2 4.3Å; V524-I535 HydrophobicContact CG1-CG1 4.05Å; L533-I535 HydrophobicContact CD2-CD1 3.86Å; L533-I535 HydrophobicContact CD2-CG1 3.85Å; L533-I535 HydrophobicContact CG-CD1 4.48Å; L533-I535 HydrophobicContact CG-CG1 3.98Å; I535-L537 HydrophobicContact CG2-CD2 4.16Å | ||
| 536 | D | 85.8 | Confident | 85.9 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | trans | -108 | 116.9 | 166.9 | -174 | -9.7 | 0 | 0 | 0 | 108.6 | D538 L539 | D536-D538 PolarHBondContact O-N 3.06Å; D536-D538 WeakPolarHBondContact OD1-CB 3.38Å; D536-D538 PolarHBondContact OD1-N 3.1Å; D536-L539 HydrophobicContact CB-CB 4.33Å; D536-L539 HydrophobicContact CB-CD1 4.06Å; D536-L539 HydrophobicContact CB-CG 3.98Å; D536-L539 PolarHBondContact O-N 2.89Å; D536-L539 VanDerWaalsContact O-N 3.13Å | ||
| 537 | L | 88.7 | Confident | 85.9 | Confident | 31 Ų | 31 | 50 Ų | 50 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -70 | -20.3 | -179.4 | -67.2 | -179.5 | 0 | 0 | 0 | 112.6 | A448 F449 Q452 I535 L539 V540 W563 | A448-L537 HydrophobicContact CB-CD2 4.1Å; F449-L537 HydrophobicContact CD1-CD2 3.8Å; F449-L537 HydrophobicContact CE1-CD2 3.97Å; Q452-L537 HydrophobicContact CB-CD1 3.78Å; Q452-L537 HydrophobicContact CG-CD1 3.98Å; I535-L537 HydrophobicContact CG2-CD2 4.16Å; L537-L539 PolarHBondContact O-N 3.18Å; L537-V540 HydrophobicContact CD2-CG2 4.34Å; L537-V540 WeakPolarHBondContact O-CB 3.19Å; L537-V540 PolarHBondContact O-N 3.43Å; L537-W563 HydrophobicContact CB-CH2 4.28Å; L537-W563 HydrophobicContact CB-CZ2 4.25Å; L537-W563 HydrophobicContact CD2-CZ2 4.32Å |
| 538 | D | 81.6 | Confident | 86.2 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -74.4 | -11.7 | 173.7 | -66.2 | -31.9 | 0 | 0 | 0 | 111.9 | D536 Y559 | D536-D538 PolarHBondContact O-N 3.06Å; D536-D538 WeakPolarHBondContact OD1-CB 3.38Å; D536-D538 PolarHBondContact OD1-N 3.1Å; D538-Y559 PolarHBondContact OD1-OH 3.49Å |
| 539 | L | 82.8 | Confident | 86.9 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -101.7 | 25.5 | 174 | -56.4 | -175.3 | 0 | 0 | 0 | 112.8 | P419 H421 T523 D536 L537 | P419-L539 HydrophobicContact CB-CD2 3.74Å; P419-L539 HydrophobicContact CG-CD2 4.45Å; H421-L539 HydrophobicContact CB-CB 4.06Å; H421-L539 HydrophobicContact CB-CD1 4.44Å; H421-L539 HydrophobicContact CB-CD2 3.99Å; H421-L539 HydrophobicContact CB-CG 4.39Å; H421-L539 PolarHBondContact CE1-O 3.48Å; H421-L539 PolarHBondContact ND1-O 3.47Å; T523-L539 PolarHBondContact N-O 2.68Å; D536-L539 HydrophobicContact CB-CB 4.33Å; D536-L539 HydrophobicContact CB-CD1 4.06Å; D536-L539 HydrophobicContact CB-CG 3.98Å; D536-L539 PolarHBondContact O-N 2.89Å; D536-L539 VanDerWaalsContact O-N 3.13Å; L537-L539 PolarHBondContact O-N 3.18Å |
| 540 | V | 91.5 | Very high | 87.7 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.4 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | F449 Y520 A522 L537 W563 | F449-V540 HydrophobicContact CE1-CB 4.49Å; F449-V540 HydrophobicContact CE1-CG1 3.87Å; F449-V540 HydrophobicContact CE1-CG2 3.95Å; F449-V540 HydrophobicContact CZ-CG1 3.73Å; F449-V540 HydrophobicContact CZ-CG2 4.41Å; Y520-V540 HydrophobicContact CD1-CG1 4.18Å; A522-V540 HydrophobicContact CB-CG2 3.94Å; L537-V540 HydrophobicContact CD2-CG2 4.34Å; L537-V540 WeakPolarHBondContact O-CB 3.19Å; L537-V540 PolarHBondContact O-N 3.43Å; V540-W563 HydrophobicContact CB-CZ2 4.39Å; V540-W563 HydrophobicContact CG1-CZ2 4.45Å |
| 541 | S | 91 | Very high | 88.3 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 137.9 | 174.8 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | Y520 E521 | Y520-S541 CarbonylContact C-O 3.55Å; Y520-S541 VanDerWaalsContact CA-O 3.3Å; Y520-S541 WeakPolarHBondContact CA-O 3.37Å; E521-S541 PolarHBondContact N-O 3.27Å; E521-S541 PolarHBondContact O-N 2.9Å |
| 542 | R | 90.8 | Very high | 88.9 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 4% | 0.038 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.6 | 161.8 | -172.9 | 82.7 | 173.9 | -128 | -10.6 | 109 | Y328 A518 I519 Y520 N544 Y546 I562 | Y328-R542 WeakPolarHBondContact CE1-O 3.35Å; A518-R542 VanDerWaalsContact CA-NH2 3.33Å; I519-R542 WeakPolarHBondContact O-CD 3.42Å; Y520-R542 PolarHBondContact OH-NH1 2.99Å; R542-N544 WeakPolarHBondContact CG-O 3.41Å; R542-N544 PolarHBondContact NE-OD1 3.26Å; R542-Y546 HydrophobicContact CB-CD1 4.27Å; R542-Y546 HydrophobicContact CB-CE1 3.38Å; R542-Y546 HydrophobicContact CG-CD1 3.77Å; R542-Y546 HydrophobicContact CG-CE1 3.39Å; R542-I562 HydrophobicContact CB-CG2 4.33Å; R542-I562 PolarHBondContact NH1-O 3Å |
| 543 | V | 88.9 | Confident | 89.2 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | trans | -107.7 | 12.8 | -175 | -58.3 | 0 | 0 | 0 | 0 | 113.8 | I519 E521 | I519-V543 HydrophobicContact CB-CG2 3.74Å; I519-V543 HydrophobicContact CG2-CG2 3.36Å; I519-V543 PolarHBondContact O-N 3.26Å; E521-V543 HydrophobicContact CB-CG1 3.84Å | ||
| 544 | N | 88.6 | Confident | 89.2 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -138.9 | 148.3 | 166.8 | 66.7 | -26.5 | 0 | 0 | 0 | 110.5 | K517 I519 R542 | K517-N544 PolarHBondContact O-ND2 3.17Å; I519-N544 PolarHBondContact N-OD1 2.83Å; R542-N544 WeakPolarHBondContact CG-O 3.41Å; R542-N544 PolarHBondContact NE-OD1 3.26Å |
| 545 | A | 85.6 | Confident | 89 | Confident | 65 Ų | 65 | 41.9 Ų | 41.9 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | trans | -55.3 | 140.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G547 | A545-G547 VanDerWaalsContact C-N 3.3Å; A545-G547 PolarHBondContact O-N 3.12Å | ||
| 546 | Y | 86.6 | Confident | 88.9 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | trans | -66.2 | -33.8 | 177.4 | -45.1 | -56.4 | 0 | 0 | 0 | 112.2 | Y328 R542 A549 | Y328-Y546 PolarHBondContact OH-OH 3.44Å; R542-Y546 HydrophobicContact CB-CD1 4.27Å; R542-Y546 HydrophobicContact CB-CE1 3.38Å; R542-Y546 HydrophobicContact CG-CD1 3.77Å; R542-Y546 HydrophobicContact CG-CE1 3.39Å; Y546-A549 VanDerWaalsContact O-CB 3.32Å; Y546-A549 WeakPolarHBondContact O-CB 3.39Å; Y546-A549 PolarHBondContact O-N 2.85Å | ||
| 547 | G | 86.8 | Confident | 88.9 | Confident | 61 Ų | 61 | 41.9 Ų | 41.9 | 63% | 0.629 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | -144.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A545 A549 | A545-G547 VanDerWaalsContact C-N 3.3Å; A545-G547 PolarHBondContact O-N 3.12Å; G547-A549 VanDerWaalsContact C-N 3.27Å; G547-A549 PolarHBondContact O-N 3.4Å |
| 548 | T | 90.5 | Very high | 88.8 | Confident | 85 Ų | 85 | 41.1 Ų | 41.1 | 52% | 0.521 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -2.5 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | H551 Q569 | T548-H551 WeakPolarHBondContact O-CB 3.25Å; T548-H551 PolarHBondContact O-N 2.98Å; T548-H551 VanDerWaalsContact O-N 3.13Å; T548-H551 PolarHBondContact O-ND1 2.84Å; T548-Q569 PolarHBondContact OG1-OE1 2.85Å |
| 549 | A | 93.4 | Very high | 89 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -39.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y546 G547 V565 C566 | Y546-A549 VanDerWaalsContact O-CB 3.32Å; Y546-A549 WeakPolarHBondContact O-CB 3.39Å; Y546-A549 PolarHBondContact O-N 2.85Å; G547-A549 VanDerWaalsContact C-N 3.27Å; G547-A549 PolarHBondContact O-N 3.4Å; A549-V565 HydrophobicContact CB-CG1 4.38Å; A549-V565 HydrophobicContact CB-CG2 4.45Å; A549-C566 WeakPolarHBondContact O-CB 3.24Å; A549-C566 PolarHBondContact O-N 2.85Å; A549-C566 PolarHBondContact O-SG 3.05Å |
| 550 | P | 94.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 14.9 | 178.9 | 37.9 | -37 | 0 | 0 | 0 | 114.4 | C552 I553 M554 A561 C564 | P550-C552 PolarHBondContact O-N 2.86Å; P550-I553 HydrophobicContact CB-CG2 4.03Å; P550-I553 WeakPolarHBondContact O-CG2 3.5Å; P550-I553 PolarHBondContact O-N 3.17Å; P550-M554 HydrophobicContact CG-SD 4.19Å; P550-M554 WeakPolarHBondContact O-CG 3.41Å; P550-M554 PolarHBondContact O-N 3.25Å; P550-A561 HydrophobicContact CB-CB 3.71Å; P550-A561 HydrophobicContact CG-CB 3.87Å; P550-C564 HydrophobicContact CB-CB 4.22Å |
| 551 | H | 93.6 | Very high | 89.4 | Confident | 85 Ų | 85 | 36.2 Ų | 36.2 | 39% | 0.394 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55 | -33.7 | -169.1 | 74.8 | -77.7 | 0 | 0 | 0 | 114.3 | T548 I553 M554 D568 | T548-H551 WeakPolarHBondContact O-CB 3.25Å; T548-H551 PolarHBondContact O-N 2.98Å; T548-H551 VanDerWaalsContact O-N 3.13Å; T548-H551 PolarHBondContact O-ND1 2.84Å; H551-I553 VanDerWaalsContact C-N 3.27Å; H551-I553 PolarHBondContact O-N 3.48Å; H551-M554 PolarHBondContact O-N 2.99Å; H551-D568 VanDerWaalsContact CE1-CG 3.45Å; H551-D568 IonicContact CE1-OD1 3.6Å; H551-D568 PolarHBondContact CE1-OD1 3.45Å; H551-D568 IonicContact CE1-OD2 3.61Å; H551-D568 PolarHBondContact CE1-OD2 3.4Å; H551-D568 IonicContact NE2-OD1 2.7Å; H551-D568 IonicContact NE2-OD2 2.89Å; H551-D568 PolarHBondContact NE2-OD2 3.28Å |
| 552 | C | 94.3 | Very high | 89.4 | Confident | 31 Ų | 31 | 37 Ų | 37 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -24.7 | 177.1 | 65.1 | 0 | 0 | 0 | 0 | 114.1 | P550 C566 | P550-C552 PolarHBondContact O-N 2.86Å; C552-C566 VanDerWaalsContact CA-SG 3.59Å; C552-C566 HydrophobicContact CB-CB 3.81Å; C552-C566 WeakPolarHBondContact CB-SG 3.29Å; C552-C566 PolarHBondContact N-SG 2.79Å; C552-C566 WeakPolarHBondContact SG-CB 3.38Å; C552-C566 CovalentContact SG-SG 2.03Å; C552-C566 PolarHBondContact SG-SG 3.27Å |
| 553 | I | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -102 | -14.5 | -179.8 | -156.4 | 65.9 | 0 | 0 | 0 | 113.1 | E456 L459 P550 H551 S555 K556 D557 L560 A561 C564 | E456-I553 HydrophobicContact CB-CD1 3.89Å; E456-I553 HydrophobicContact CG-CD1 3.6Å; L459-I553 HydrophobicContact CD1-CD1 3.88Å; P550-I553 HydrophobicContact CB-CG2 4.03Å; P550-I553 WeakPolarHBondContact O-CG2 3.5Å; P550-I553 PolarHBondContact O-N 3.17Å; H551-I553 VanDerWaalsContact C-N 3.27Å; H551-I553 PolarHBondContact O-N 3.48Å; I553-S555 VanDerWaalsContact C-N 3.29Å; I553-S555 PolarHBondContact O-N 3.46Å; I553-K556 HydrophobicContact CD1-CB 3.99Å; I553-K556 HydrophobicContact CD1-CD 4.07Å; I553-K556 HydrophobicContact CD1-CG 4.31Å; I553-K556 PolarHBondContact O-N 3.05Å; I553-D557 HydrophobicContact CG1-CB 4.27Å; I553-D557 WeakPolarHBondContact CG1-O 3.43Å; I553-D557 CarbonylContact O-C 3.5Å; I553-D557 PolarHBondContact O-N 2.92Å; I553-L560 HydrophobicContact CD1-CD1 4.44Å; I553-L560 HydrophobicContact CG1-CB 4.03Å; I553-L560 HydrophobicContact CG1-CD1 4.3Å; I553-L560 HydrophobicContact CG2-CB 4.46Å; I553-A561 HydrophobicContact CG2-CB 4.36Å; I553-C564 HydrophobicContact CB-CB 4.44Å; I553-C564 HydrophobicContact CG2-CB 3.68Å |
| 554 | M | 88 | Confident | 90 | Very high | 64 Ų | 64 | 36.4 Ų | 36.4 | 32% | 0.315 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.4 | -39.2 | -173.7 | -72.7 | -60.6 | -67.6 | 0 | 0 | 114.3 | Y217 P550 H551 A561 | Y217-M554 HydrophobicContact CE2-CE 3.64Å; Y217-M554 WeakPolarHBondContact OH-CE 3.47Å; P550-M554 HydrophobicContact CG-SD 4.19Å; P550-M554 WeakPolarHBondContact O-CG 3.41Å; P550-M554 PolarHBondContact O-N 3.25Å; H551-M554 PolarHBondContact O-N 2.99Å; M554-A561 HydrophobicContact SD-CB 3.65Å |
| 555 | S | 84.1 | Confident | 90.4 | Very high | 113 Ų | 113 | 34.9 Ų | 34.9 | 79% | 0.79 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -17.2 | 178.7 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | I553 | I553-S555 VanDerWaalsContact C-N 3.29Å; I553-S555 PolarHBondContact O-N 3.46Å |
| 556 | K | 86.5 | Confident | 90.9 | Very high | 107 Ų | 107 | 31.8 Ų | 31.8 | 47% | 0.465 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -53.3 | -175.1 | -170.9 | 177.8 | -172.5 | -171 | 0 | 112.1 | S179 E456 L459 I553 | S179-K556 WeakPolarHBondContact CA-O 3.45Å; S179-K556 WeakPolarHBondContact CB-O 3.08Å; E456-K556 WeakPolarHBondContact OE1-CD 3.41Å; E456-K556 WeakPolarHBondContact OE1-CE 3.22Å; E456-K556 IonicContact OE1-NZ 3.49Å; E456-K556 PolarHBondContact OE1-NZ 2.84Å; E456-K556 WeakPolarHBondContact OE2-CE 3.49Å; E456-K556 IonicContact OE2-NZ 2.95Å; E456-K556 PolarHBondContact OE2-NZ 3.41Å; L459-K556 HydrophobicContact CD1-CD 4.15Å; I553-K556 HydrophobicContact CD1-CB 3.99Å; I553-K556 HydrophobicContact CD1-CD 4.07Å; I553-K556 HydrophobicContact CD1-CG 4.31Å; I553-K556 PolarHBondContact O-N 3.05Å |
| 557 | D | 87.1 | Confident | 91.4 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | trans | -151.4 | 89.7 | 176.1 | -164.4 | 1.1 | 0 | 0 | 0 | 111.9 | S179 I553 Y559 L560 | S179-D557 VanDerWaalsContact CB-OD1 3.26Å; S179-D557 WeakPolarHBondContact CB-OD1 3.16Å; S179-D557 PolarHBondContact OG-OD1 2.88Å; I553-D557 HydrophobicContact CG1-CB 4.27Å; I553-D557 WeakPolarHBondContact CG1-O 3.43Å; I553-D557 CarbonylContact O-C 3.5Å; I553-D557 PolarHBondContact O-N 2.92Å; D557-Y559 PolarHBondContact O-N 2.82Å; D557-Y559 VanDerWaalsContact O-N 3.15Å; D557-Y559 WeakPolarHBondContact OD1-CB 3.48Å; D557-Y559 PolarHBondContact OD1-N 3.22Å; D557-L560 HydrophobicContact CB-CD1 4.13Å; D557-L560 HydrophobicContact CB-CG 4.19Å; D557-L560 PolarHBondContact O-N 2.69Å | ||
| 558 | S | 86 | Confident | 91.8 | Very high | 16 Ų | 16 | 37 Ų | 37 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.8 | 179 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | R218 L560 A561 | R218-S558 WeakPolarHBondContact CG-OG 3.48Å; S558-L560 VanDerWaalsContact C-N 3.33Å; S558-A561 VanDerWaalsContact O-CB 3.23Å; S558-A561 WeakPolarHBondContact O-CB 3.46Å; S558-A561 PolarHBondContact O-N 2.88Å |
| 559 | Y | 85.9 | Confident | 91.9 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 8% | 0.078 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -39 | 169.3 | 178.2 | -118.7 | 0 | 0 | 0 | 111.6 | D538 D557 A561 I562 W563 | D538-Y559 PolarHBondContact OD1-OH 3.49Å; D557-Y559 PolarHBondContact O-N 2.82Å; D557-Y559 VanDerWaalsContact O-N 3.15Å; D557-Y559 WeakPolarHBondContact OD1-CB 3.48Å; D557-Y559 PolarHBondContact OD1-N 3.22Å; Y559-A561 PolarHBondContact O-N 2.65Å; Y559-I562 HydrophobicContact CD2-CD1 4.29Å; Y559-I562 HydrophobicContact CE2-CD1 4.19Å; Y559-I562 WeakPolarHBondContact O-CG1 3.32Å; Y559-W563 HydrophobicContact CD1-CZ3 4.29Å; Y559-W563 HydrophobicContact CE1-CH2 4.09Å; Y559-W563 AromaticContact CE1-CZ3 3.88Å; Y559-W563 HydrophobicContact CE1-CZ3 3.88Å; Y559-W563 HydrophobicContact CE2-CH2 4.17Å; Y559-W563 HydrophobicContact CE2-CZ3 4.35Å; Y559-W563 AromaticContact CZ-CH2 3.69Å; Y559-W563 AromaticContact CZ-CZ3 3.91Å |
| 560 | L | 91.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -72.2 | -12.2 | 179 | -64.5 | -179.3 | 0 | 0 | 0 | 113.3 | Q452 E456 I553 D557 S558 I562 W563 C564 | Q452-L560 HydrophobicContact CG-CD2 3.66Å; E456-L560 HydrophobicContact CB-CD1 4.1Å; E456-L560 HydrophobicContact CG-CD1 3.55Å; I553-L560 HydrophobicContact CD1-CD1 4.44Å; I553-L560 HydrophobicContact CG1-CB 4.03Å; I553-L560 HydrophobicContact CG1-CD1 4.3Å; I553-L560 HydrophobicContact CG2-CB 4.46Å; D557-L560 HydrophobicContact CB-CD1 4.13Å; D557-L560 HydrophobicContact CB-CG 4.19Å; D557-L560 PolarHBondContact O-N 2.69Å; S558-L560 VanDerWaalsContact C-N 3.33Å; L560-I562 PolarHBondContact O-N 2.84Å; L560-I562 VanDerWaalsContact O-N 3.09Å; L560-W563 HydrophobicContact CD2-CE3 4.35Å; L560-W563 HydrophobicContact CD2-CZ3 4.45Å; L560-W563 PolarHBondContact O-N 3.45Å; L560-C564 VanDerWaalsContact O-CB 3.28Å; L560-C564 WeakPolarHBondContact O-CB 3.37Å; L560-C564 PolarHBondContact O-N 2.83Å |
| 561 | A | 91.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -59.4 | -21.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P550 I553 M554 S558 Y559 W563 | P550-A561 HydrophobicContact CB-CB 3.71Å; P550-A561 HydrophobicContact CG-CB 3.87Å; I553-A561 HydrophobicContact CG2-CB 4.36Å; M554-A561 HydrophobicContact SD-CB 3.65Å; S558-A561 VanDerWaalsContact O-CB 3.23Å; S558-A561 WeakPolarHBondContact O-CB 3.46Å; S558-A561 PolarHBondContact O-N 2.88Å; Y559-A561 PolarHBondContact O-N 2.65Å; A561-W563 VanDerWaalsContact C-N 3.26Å; A561-W563 PolarHBondContact O-N 3.3Å |
| 562 | I | 91.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -55.7 | -44 | 173.5 | -63.3 | 172.3 | 0 | 0 | 0 | 110.7 | Y520 R542 Y559 L560 | Y520-I562 HydrophobicContact CD1-CG2 4.41Å; Y520-I562 HydrophobicContact CE1-CG2 4.11Å; Y520-I562 VanDerWaalsContact CE1-O 3.28Å; Y520-I562 WeakPolarHBondContact CE1-O 3.28Å; Y520-I562 PolarHBondContact OH-O 2.78Å; R542-I562 HydrophobicContact CB-CG2 4.33Å; R542-I562 PolarHBondContact NH1-O 3Å; Y559-I562 HydrophobicContact CD2-CD1 4.29Å; Y559-I562 HydrophobicContact CE2-CD1 4.19Å; Y559-I562 WeakPolarHBondContact O-CG1 3.32Å; L560-I562 PolarHBondContact O-N 2.84Å; L560-I562 VanDerWaalsContact O-N 3.09Å |
| 563 | W | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -30.2 | -173.2 | -55 | -78 | 0 | 0 | 0 | 113.9 | F449 Q452 L453 L463 Y520 L537 V540 Y559 L560 A561 V565 | F449-W563 HydrophobicContact CB-CG 4.26Å; F449-W563 AromaticContact CD1-CD1 3.7Å; F449-W563 AromaticContact CD1-NE1 3.2Å; F449-W563 AromaticContact CD2-CD1 3.55Å; F449-W563 AromaticContact CD2-NE1 3.81Å; F449-W563 AromaticContact CE1-NE1 3.45Å; F449-W563 AromaticContact CE2-NE1 3.99Å; F449-W563 AromaticContact CG-CD1 3.36Å; F449-W563 HydrophobicContact CG-CG 4.32Å; F449-W563 AromaticContact CG-NE1 3.42Å; F449-W563 AromaticContact CZ-NE1 3.83Å; Q452-W563 HydrophobicContact CG-CE3 4.33Å; Q452-W563 HydrophobicContact CG-CZ3 4.13Å; L453-W563 HydrophobicContact CD1-CB 3.97Å; L453-W563 HydrophobicContact CD2-CB 4.01Å; L453-W563 HydrophobicContact CG-CB 4.07Å; L463-W563 HydrophobicContact CD1-CB 4.01Å; Y520-W563 AromaticContact CE1-CD1 3.52Å; Y520-W563 HydrophobicContact CE1-CG 4.34Å; Y520-W563 AromaticContact CZ-CD1 3.96Å; Y520-W563 WeakPolarHBondContact OH-CA 3.21Å; L537-W563 HydrophobicContact CB-CH2 4.28Å; L537-W563 HydrophobicContact CB-CZ2 4.25Å; L537-W563 HydrophobicContact CD2-CZ2 4.32Å; V540-W563 HydrophobicContact CB-CZ2 4.39Å; V540-W563 HydrophobicContact CG1-CZ2 4.45Å; Y559-W563 HydrophobicContact CD1-CZ3 4.29Å; Y559-W563 HydrophobicContact CE1-CH2 4.09Å; Y559-W563 AromaticContact CE1-CZ3 3.88Å; Y559-W563 HydrophobicContact CE1-CZ3 3.88Å; Y559-W563 HydrophobicContact CE2-CH2 4.17Å; Y559-W563 HydrophobicContact CE2-CZ3 4.35Å; Y559-W563 AromaticContact CZ-CH2 3.69Å; Y559-W563 AromaticContact CZ-CZ3 3.91Å; L560-W563 HydrophobicContact CD2-CE3 4.35Å; L560-W563 HydrophobicContact CD2-CZ3 4.45Å; L560-W563 PolarHBondContact O-N 3.45Å; A561-W563 VanDerWaalsContact C-N 3.26Å; A561-W563 PolarHBondContact O-N 3.3Å; W563-V565 PolarHBondContact O-N 3.41Å |
| 564 | C | 96.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | trans | -64.8 | 129.7 | -171.1 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | L453 C460 P550 I553 L560 | L453-C564 HydrophobicContact CD2-CB 4.13Å; C460-C564 HydrophobicContact CB-CB 3.91Å; C460-C564 WeakPolarHBondContact CB-SG 3.47Å; C460-C564 WeakPolarHBondContact SG-CB 3.41Å; C460-C564 CovalentContact SG-SG 2.04Å; C460-C564 PolarHBondContact SG-SG 3.33Å; P550-C564 HydrophobicContact CB-CB 4.22Å; I553-C564 HydrophobicContact CB-CB 4.44Å; I553-C564 HydrophobicContact CG2-CB 3.68Å; L560-C564 VanDerWaalsContact O-CB 3.28Å; L560-C564 WeakPolarHBondContact O-CB 3.37Å; L560-C564 PolarHBondContact O-N 2.83Å | ||
| 565 | V | 96.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | trans | -120.7 | 116 | 162.3 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | S461 L463 P515 R516 A549 W563 Q569 L570 | S461-V565 WeakPolarHBondContact CB-O 3.25Å; S461-V565 PolarHBondContact N-O 2.91Å; L463-V565 HydrophobicContact CD2-CG2 4.45Å; P515-V565 HydrophobicContact CB-CG1 4.37Å; P515-V565 HydrophobicContact CG-CB 3.75Å; P515-V565 HydrophobicContact CG-CG1 3.7Å; P515-V565 HydrophobicContact CG-CG2 3.99Å; R516-V565 HydrophobicContact CG-CG1 3.83Å; A549-V565 HydrophobicContact CB-CG1 4.38Å; A549-V565 HydrophobicContact CB-CG2 4.45Å; W563-V565 PolarHBondContact O-N 3.41Å; V565-Q569 HydrophobicContact CG1-CB 4.46Å; V565-L570 HydrophobicContact CG1-CD2 3.87Å | ||
| 566 | C | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -64.9 | 143.3 | -178.1 | -57 | 0 | 0 | 0 | 0 | 111.3 | L459 A549 C552 D568 Q569 | L459-C566 WeakPolarHBondContact O-CA 3.23Å; A549-C566 WeakPolarHBondContact O-CB 3.24Å; A549-C566 PolarHBondContact O-N 2.85Å; A549-C566 PolarHBondContact O-SG 3.05Å; C552-C566 VanDerWaalsContact CA-SG 3.59Å; C552-C566 HydrophobicContact CB-CB 3.81Å; C552-C566 WeakPolarHBondContact CB-SG 3.29Å; C552-C566 PolarHBondContact N-SG 2.79Å; C552-C566 WeakPolarHBondContact SG-CB 3.38Å; C552-C566 CovalentContact SG-SG 2.03Å; C552-C566 PolarHBondContact SG-SG 3.27Å; C566-D568 WeakPolarHBondContact CB-OD1 3.01Å; C566-D568 PolarHBondContact O-N 3.46Å; C566-Q569 HydrophobicContact CB-CG 4.07Å; C566-Q569 WeakPolarHBondContact O-CB 3.37Å; C566-Q569 PolarHBondContact O-N 3.17Å |
| 567 | Y | 97 | Very high | 92.3 | Very high | 110 Ų | 110 | 33.4 Ų | 33.4 | 43% | 0.431 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -58.3 | -29.8 | -177.3 | -81.3 | -73.7 | 0 | 0 | 0 | 114.4 | Q457 L459 Q569 L570 | Q457-Y567 WeakPolarHBondContact O-CE2 3.3Å; Q457-Y567 PolarHBondContact O-OH 2.98Å; L459-Y567 WeakPolarHBondContact O-CD2 3.4Å; L459-Y567 PolarHBondContact O-N 3.01Å; Y567-Q569 PolarHBondContact O-N 3.14Å; Y567-L570 HydrophobicContact CD1-CD1 3.63Å; Y567-L570 HydrophobicContact CE1-CD1 4.32Å; Y567-L570 HydrophobicContact CG-CD1 4.47Å; Y567-L570 WeakPolarHBondContact O-CG 3.38Å |
| 568 | D | 94.9 | Very high | 92.7 | Very high | 100 Ų | 100 | 34.5 Ų | 34.5 | 54% | 0.535 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -79.7 | -3.1 | 177.1 | 70.2 | -53.7 | 0 | 0 | 0 | 113.4 | H551 C566 | H551-D568 VanDerWaalsContact CE1-CG 3.45Å; H551-D568 IonicContact CE1-OD1 3.6Å; H551-D568 PolarHBondContact CE1-OD1 3.45Å; H551-D568 IonicContact CE1-OD2 3.61Å; H551-D568 PolarHBondContact CE1-OD2 3.4Å; H551-D568 IonicContact NE2-OD1 2.7Å; H551-D568 IonicContact NE2-OD2 2.89Å; H551-D568 PolarHBondContact NE2-OD2 3.28Å; C566-D568 WeakPolarHBondContact CB-OD1 3.01Å; C566-D568 PolarHBondContact O-N 3.46Å |
| 569 | Q | 92.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 36 Ų | 36 | 23% | 0.234 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -108.2 | 11 | 177.3 | -57.8 | -66.5 | -59.5 | 0 | 0 | 113 | T548 V565 C566 Y567 | T548-Q569 PolarHBondContact OG1-OE1 2.85Å; V565-Q569 HydrophobicContact CG1-CB 4.46Å; C566-Q569 HydrophobicContact CB-CG 4.07Å; C566-Q569 WeakPolarHBondContact O-CB 3.37Å; C566-Q569 PolarHBondContact O-N 3.17Å; Y567-Q569 PolarHBondContact O-N 3.14Å |
| 570 | L | 89.7 | Confident | 93.9 | Very high | 130 Ų | 130 | 37.5 Ų | 37.5 | 68% | 0.681 | 18% | 0.182 | S | C | * | . | trans | -78.6 | 0 | -175.5 | -65.4 | -177.2 | 0 | 0 | 0 | 114.8 | P515 V565 Y567 | P515-L570 HydrophobicContact CB-CD2 3.6Å; P515-L570 HydrophobicContact CG-CD2 3.38Å; V565-L570 HydrophobicContact CG1-CD2 3.87Å; Y567-L570 HydrophobicContact CD1-CD1 3.63Å; Y567-L570 HydrophobicContact CE1-CD1 4.32Å; Y567-L570 HydrophobicContact CG-CD1 4.47Å; Y567-L570 WeakPolarHBondContact O-CG 3.38Å |
Retrieved 570 of 570 residues in 121.4 ms
(Link to these results)