| 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 | 88.8 | Confident | 85.5 | Confident | 22 Ų | 22 | 88 Ų | 88 | 11% | 0.108 | 41% | 0.412 | C | S | . | . | 0 | 21.1 | 0 | -60.5 | 179.3 | -146 | 0 | 0 | 112.2 | K3 C4 G264 A266 L279 H280 D281 V287 I290 F302 | M1-K3 PolarHBondContact O-N 3.14Å; M1-K3 VanDerWaalsContact O-N 3.1Å; M1-C4 VanDerWaalsContact O-CB 3.26Å; M1-C4 WeakPolarHBondContact O-CB 3.24Å; M1-C4 PolarHBondContact O-N 3.23Å; M1-G264 WeakPolarHBondContact CE-O 3.48Å; M1-A266 HydrophobicContact CE-CB 4.3Å; M1-L279 HydrophobicContact CE-CB 3.68Å; M1-L279 WeakPolarHBondContact CE-O 3.41Å; M1-L279 HydrophobicContact CG-CB 3.9Å; M1-L279 HydrophobicContact SD-CB 4.45Å; M1-H280 PolarHBondContact N-O 3.09Å; M1-D281 HydrophobicContact CB-CB 4.34Å; M1-D281 HydrophobicContact SD-CB 4.38Å; M1-V287 HydrophobicContact CB-CG2 4.4Å; M1-V287 HydrophobicContact SD-CB 3.86Å; M1-V287 HydrophobicContact SD-CG1 4.2Å; M1-V287 HydrophobicContact SD-CG2 4.04Å; M1-I290 HydrophobicContact CE-CD1 3.61Å; M1-I290 HydrophobicContact SD-CD1 3.91Å; M1-F302 HydrophobicContact SD-CD1 4.44Å; M1-F302 HydrophobicContact SD-CE1 4.12Å; M1-F302 HydrophobicContact SD-CZ 4.31Å | |||
| 2 | E | 83.7 | Confident | 84.8 | Confident | 177 Ų | 177 | 80.7 Ų | 80.7 | 83% | 0.827 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.6 | -173.1 | -65.1 | 178 | 161.8 | 0 | 0 | 114.4 | C4 | E2-C4 PolarHBondContact O-N 3.26Š|
| 3 | K | 88.7 | Confident | 84.6 | Confident | 161 Ų | 161 | 78.1 Ų | 78.1 | 70% | 0.7 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 0.3 | 178.1 | -60.8 | -177.6 | -178 | 177.1 | 0 | 113.8 | M1 K5 | M1-K3 PolarHBondContact O-N 3.14Å; M1-K3 VanDerWaalsContact O-N 3.1Å; K3-K5 PolarHBondContact O-N 3.12Å |
| 4 | C | 91.8 | Very high | 84.5 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 10% | 0.095 | 34% | 0.344 | C | S | . | . | trans | -63 | 131.9 | 178.8 | -84.4 | 0 | 0 | 0 | 0 | 111.3 | M1 E2 V286 V287 F302 Y312 | M1-C4 VanDerWaalsContact O-CB 3.26Å; M1-C4 WeakPolarHBondContact O-CB 3.24Å; M1-C4 PolarHBondContact O-N 3.23Å; E2-C4 PolarHBondContact O-N 3.26Å; C4-V286 HydrophobicContact CB-CG1 3.49Å; C4-V286 VanDerWaalsContact CB-CG1 3.49Å; C4-V287 HydrophobicContact CB-CG2 3.95Å; C4-F302 WeakPolarHBondContact SG-CE2 3.44Å; C4-Y312 CarbonylContact C-O 3.51Å; C4-Y312 VanDerWaalsContact CA-O 3.29Å; C4-Y312 WeakPolarHBondContact CA-O 3.5Å | ||
| 5 | K | 91.9 | Very high | 84.7 | Confident | 137 Ų | 137 | 67.7 Ų | 67.7 | 60% | 0.596 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 163 | 171.3 | -66.5 | 177.9 | -176.7 | 176.9 | 0 | 109.3 | K3 K311 Y312 | K3-K5 PolarHBondContact O-N 3.12Å; K5-K311 WeakPolarHBondContact O-CA 3.46Å; K5-Y312 HydrophobicContact CB-CD1 4.05Å; K5-Y312 HydrophobicContact CB-CE1 3.41Å; K5-Y312 VanDerWaalsContact CB-CE1 3.41Å; K5-Y312 HydrophobicContact CB-CE2 4.49Å; K5-Y312 PolarHBondContact N-O 3.22Å; K5-Y312 WeakPolarHBondContact O-CD1 3.39Å; K5-Y312 PolarHBondContact O-N 3.06Å |
| 6 | T | 89.1 | Confident | 84.8 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.1 | 175.9 | -51.6 | 0 | 0 | 0 | 0 | 109.5 | K9 K311 | T6-K9 HydrophobicContact CG2-CB 4.01Å; T6-K9 HydrophobicContact CG2-CG 4.17Å; T6-K311 HydrophobicContact CG2-CD 4.18Å; T6-K311 WeakPolarHBondContact OG1-CD 3.3Å; T6-K311 WeakPolarHBondContact OG1-CE 3.43Å; T6-K311 PolarHBondContact OG1-NZ 3.48Å |
| 7 | M | 84.8 | Confident | 85.2 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 16% | 0.163 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 149.9 | 175.8 | -159.8 | 177.8 | -68.1 | 0 | 0 | 109.5 | K9 R39 G309 L310 Y312 | M7-K9 PolarHBondContact O-N 3.1Å; M7-K9 VanDerWaalsContact O-N 3.14Å; M7-R39 PolarHBondContact SD-NH1 2.68Å; M7-R39 PolarHBondContact SD-NH2 3.47Å; M7-G309 CarbonylContact O-C 3.26Å; M7-G309 VanDerWaalsContact O-CA 3.3Å; M7-G309 WeakPolarHBondContact O-CA 3.18Å; M7-L310 PolarHBondContact N-O 3.42Å; M7-L310 PolarHBondContact O-N 2.63Å; M7-Y312 HydrophobicContact CB-CD1 4.05Å; M7-Y312 HydrophobicContact CB-CE1 3.92Å; M7-Y312 HydrophobicContact CE-CD1 3.84Å; M7-Y312 HydrophobicContact CE-CD2 4.2Å; M7-Y312 HydrophobicContact CE-CE1 3.5Å; M7-Y312 HydrophobicContact CE-CE2 3.89Å; M7-Y312 HydrophobicContact CE-CG 4.19Å |
| 8 | L | 79 | Confident | 85.5 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 52.5 | 36.8 | -179.1 | -59.4 | 172.9 | 0 | 0 | 0 | 112.5 | D10 K11 L12 I29 P44 L46 | L8-D10 PolarHBondContact O-N 2.94Å; L8-K11 HydrophobicContact CB-CB 4.21Å; L8-K11 HydrophobicContact CD2-CD 4.25Å; L8-K11 WeakPolarHBondContact O-CB 3.46Å; L8-K11 PolarHBondContact O-N 3.39Å; L8-L12 HydrophobicContact CB-CD1 3.85Å; L8-L12 HydrophobicContact CB-CG 4.01Å; L8-L12 HydrophobicContact CD1-CD1 3.4Å; L8-L12 HydrophobicContact CD1-CG 4.02Å; L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 PolarHBondContact O-N 2.85Å; L8-L12 VanDerWaalsContact O-N 3.14Å; L8-I29 HydrophobicContact CD1-CD1 4.49Å; L8-P44 WeakPolarHBondContact CD2-O 3.37Å; L8-L46 HydrophobicContact CD1-CD2 3.72Å; L8-L46 HydrophobicContact CD1-CG 4.01Å; L8-L46 HydrophobicContact CD2-CG 4.08Å |
| 9 | K | 84.2 | Confident | 85.7 | Confident | 139 Ų | 139 | 55 Ų | 55 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 132.1 | 178.7 | -167.1 | -173.5 | 172.8 | -178 | 0 | 109.5 | T6 M7 K11 | T6-K9 HydrophobicContact CG2-CB 4.01Å; T6-K9 HydrophobicContact CG2-CG 4.17Å; M7-K9 PolarHBondContact O-N 3.1Å; M7-K9 VanDerWaalsContact O-N 3.14Å; K9-K11 PolarHBondContact O-N 2.98Å |
| 10 | D | 82.4 | Confident | 85.8 | Confident | 95 Ų | 95 | 53.8 Ų | 53.8 | 51% | 0.508 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | -4.1 | -177.2 | -52.1 | -53.8 | 0 | 0 | 0 | 115.6 | L8 K308 | L8-D10 PolarHBondContact O-N 2.94Å; D10-K308 WeakPolarHBondContact OD1-CD 3.47Å |
| 11 | K | 75.8 | Confident | 85.7 | Confident | 124 Ų | 124 | 51.7 Ų | 51.7 | 54% | 0.539 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -20 | 172.3 | -61.6 | -174 | -179.8 | -175.9 | 0 | 112.9 | L8 K9 R31 | L8-K11 HydrophobicContact CB-CB 4.21Å; L8-K11 HydrophobicContact CD2-CD 4.25Å; L8-K11 WeakPolarHBondContact O-CB 3.46Å; L8-K11 PolarHBondContact O-N 3.39Å; K9-K11 PolarHBondContact O-N 2.98Å; K11-R31 PolarHBondContact O-NE 2.92Å; K11-R31 PolarHBondContact O-NH1 3.17Å |
| 12 | L | 78.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -123.2 | 141.4 | 171.4 | -70.3 | 174.1 | 0 | 0 | 0 | 109.3 | L8 I29 R31 K308 G309 L310 | L8-L12 HydrophobicContact CB-CD1 3.85Å; L8-L12 HydrophobicContact CB-CG 4.01Å; L8-L12 HydrophobicContact CD1-CD1 3.4Å; L8-L12 HydrophobicContact CD1-CG 4.02Å; L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 PolarHBondContact O-N 2.85Å; L8-L12 VanDerWaalsContact O-N 3.14Å; L12-I29 HydrophobicContact CD1-CD1 4.15Å; L12-I29 HydrophobicContact CD1-CG2 3.97Å; L12-R31 HydrophobicContact CD2-CB 3.96Å; L12-R31 HydrophobicContact CD2-CG 3.9Å; L12-K308 CarbonylContact O-C 3.48Å; L12-K308 WeakPolarHBondContact O-CA 3.28Å; L12-G309 PolarHBondContact O-N 3.37Å; L12-L310 HydrophobicContact CD1-CB 4.47Å | ||
| 13 | T | 81.2 | Confident | 84.2 | Confident | 47 Ų | 47 | 52.8 Ų | 52.8 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -124.4 | 133.5 | 168.5 | -52.7 | 0 | 0 | 0 | 0 | 106.6 | R31 L32 S307 | T13-R31 WeakPolarHBondContact O-CG 3.41Å; T13-L32 HydrophobicContact CG2-CB 4.25Å; T13-L32 HydrophobicContact CG2-CD2 4.31Å; T13-L32 VanDerWaalsContact O-CB 3.23Å; T13-L32 WeakPolarHBondContact O-CB 3.34Å; T13-L32 PolarHBondContact O-N 2.94Å; T13-S307 CarbonylContact C-O 3.57Å; T13-S307 WeakPolarHBondContact CA-O 3.11Å |
| 14 | G | 83.8 | Confident | 83 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | 56.5 | 56 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E16 S304 S307 | G14-E16 VanDerWaalsContact C-N 3.34Å; G14-E16 PolarHBondContact O-N 2.75Å; G14-S304 CarbonylContact C-O 3.59Å; G14-S304 WeakPolarHBondContact CA-O 3.19Å; G14-S307 PolarHBondContact N-O 3.21Å | ||
| 15 | P | 86.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -68.7 | 89.2 | 175.3 | 31 | -33.8 | 0 | 0 | 0 | 111.1 | I29 I30 G303 S304 L310 | P15-I29 HydrophobicContact CB-CG2 3.52Å; P15-I30 VanDerWaalsContact CA-O 3.25Å; P15-I30 WeakPolarHBondContact CA-O 3.43Å; P15-G303 CarbonylContact O-C 3.47Å; P15-G303 WeakPolarHBondContact O-CA 3.3Å; P15-S304 CarbonylContact C-O 3.5Å; P15-S304 WeakPolarHBondContact CD-O 3.27Å; P15-S304 PolarHBondContact O-N 3.5Å; P15-L310 HydrophobicContact CB-CD1 4.45Å; P15-L310 HydrophobicContact CG-CB 4.5Å; P15-L310 HydrophobicContact CG-CD1 4.34Å | ||
| 16 | E | 87 | Confident | 80.1 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | trans | -81.5 | -36 | -164.4 | -158.4 | 155.4 | -172.5 | 0 | 0 | 113.2 | G14 R65 L67 S291 F305 | G14-E16 VanDerWaalsContact C-N 3.34Å; G14-E16 PolarHBondContact O-N 2.75Å; E16-R65 IonicContact OE1-NH2 3.53Å; E16-R65 PolarHBondContact OE1-NH2 2.83Å; E16-R65 IonicContact OE2-CZ 3.57Å; E16-R65 IonicContact OE2-NE 3.06Å; E16-R65 PolarHBondContact OE2-NE 3.02Å; E16-R65 IonicContact OE2-NH2 3.91Å; E16-R65 PolarHBondContact OE2-NH2 2.91Å; E16-L67 HydrophobicContact CG-CD2 4.23Å; E16-L67 WeakPolarHBondContact OE1-CD2 3.46Å; E16-L67 WeakPolarHBondContact OE2-CD2 3.48Å; E16-S291 WeakPolarHBondContact CA-OG 3.27Å; E16-S291 WeakPolarHBondContact O-CB 3.04Å; E16-S291 PolarHBondContact O-OG 2.83Å; E16-F305 HydrophobicContact CG-CB 4.27Å | ||
| 17 | S | 91 | Very high | 79.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -137.1 | 150.5 | 174.1 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | I30 L67 M69 E292 | S17-I30 PolarHBondContact O-N 3.46Å; S17-L67 WeakPolarHBondContact CB-O 3.42Å; S17-M69 WeakPolarHBondContact O-CE 3.43Å; S17-M69 PolarHBondContact OG-N 2.73Å; S17-E292 WeakPolarHBondContact CA-OE2 3.35Å; S17-E292 VanDerWaalsContact CB-OE2 3.27Å; S17-E292 WeakPolarHBondContact CB-OE2 3.35Å; S17-E292 PolarHBondContact OG-OE2 3.34Å | ||
| 18 | I | 90.6 | Very high | 78.5 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 123.9 | -170.3 | -51.6 | 156 | 0 | 0 | 0 | 107.8 | I20 F28 I29 E292 A294 F301 L310 | I18-I20 HydrophobicContact CG2-CG1 4.18Å; I18-F28 WeakPolarHBondContact CA-O 3.24Å; I18-I29 HydrophobicContact CG2-CG1 4.46Å; I18-E292 WeakPolarHBondContact CA-OE1 3.06Å; I18-E292 VanDerWaalsContact CB-OE1 3.3Å; I18-E292 WeakPolarHBondContact CB-OE1 3.32Å; I18-E292 PolarHBondContact N-OE1 2.9Å; I18-A294 HydrophobicContact CB-CB 4.02Å; I18-A294 HydrophobicContact CD1-CB 4.39Å; I18-A294 HydrophobicContact CG2-CB 4.03Å; I18-F301 HydrophobicContact CD1-CB 3.88Å; I18-L310 HydrophobicContact CD1-CD1 3.46Å; I18-L310 VanDerWaalsContact CD1-CD1 3.46Å; I18-L310 HydrophobicContact CG1-CD1 4.13Å |
| 19 | V | 90 | Very high | 78.1 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.5 | 167.6 | 168.6 | 0 | 0 | 0 | 0 | 107.9 | Q21 S27 F28 M69 I77 | V19-Q21 HydrophobicContact CG1-CG 4.12Å; V19-S27 CarbonylContact O-C 3.54Å; V19-S27 WeakPolarHBondContact O-CA 3.34Å; V19-F28 HydrophobicContact CB-CB 4.39Å; V19-F28 HydrophobicContact CB-CD2 4.41Å; V19-F28 HydrophobicContact CG1-CD2 4.26Å; V19-F28 PolarHBondContact N-O 2.9Å; V19-F28 PolarHBondContact O-N 3.07Å; V19-M69 HydrophobicContact CG2-CB 3.44Å; V19-M69 VanDerWaalsContact CG2-CB 3.44Å; V19-M69 HydrophobicContact CG2-CE 4.38Å; V19-I77 HydrophobicContact CG1-CG2 4.32Å |
| 20 | I | 87 | Confident | 77.3 | Confident | 31 Ų | 31 | 30.9 Ų | 30.9 | 16% | 0.159 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.1 | 170.5 | -62.6 | 173.3 | 0 | 0 | 0 | 106.8 | I18 L41 A294 N296 F301 | I18-I20 HydrophobicContact CG2-CG1 4.18Å; I20-L41 HydrophobicContact CG2-CD1 3.78Å; I20-A294 HydrophobicContact CD1-CB 3.96Å; I20-A294 HydrophobicContact CG1-CB 4.48Å; I20-N296 HydrophobicContact CD1-CB 3.99Å; I20-N296 HydrophobicContact CG2-CB 4.13Å; I20-F301 HydrophobicContact CD1-CD2 3.48Å; I20-F301 VanDerWaalsContact CD1-CD2 3.48Å; I20-F301 HydrophobicContact CD1-CE2 3.6Å; I20-F301 HydrophobicContact CD1-CG 4.37Å |
| 21 | Q | 84 | Confident | 76.6 | Confident | 9 Ų | 9 | 29.7 Ų | 29.7 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 103.4 | 174.1 | -68.6 | -170.5 | -32.6 | 0 | 0 | 108.4 | V19 T24 L26 F28 S71 A73 | V19-Q21 HydrophobicContact CG1-CG 4.12Å; Q21-T24 HydrophobicContact CB-CG2 4.2Å; Q21-T24 WeakPolarHBondContact CB-OG1 3.37Å; Q21-T24 PolarHBondContact O-N 2.99Å; Q21-T24 PolarHBondContact O-OG1 2.85Å; Q21-L26 PolarHBondContact N-O 2.86Å; Q21-F28 HydrophobicContact CG-CE2 4.14Å; Q21-S71 PolarHBondContact NE2-OG 3.01Å; Q21-A73 PolarHBondContact NE2-O 3.05Å |
| 22 | E | 72.7 | Confident | 75.8 | Confident | 130 Ų | 130 | 26.8 Ų | 26.8 | 61% | 0.607 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 146.4 | -180 | -68.9 | -176.3 | -163 | 0 | 0 | 112.2 | T24 M219 | E22-T24 PolarHBondContact O-N 2.89Å; E22-M219 VanDerWaalsContact OE1-CE 3.25Å; E22-M219 WeakPolarHBondContact OE1-CE 3.45Å |
| 23 | G | 68.8 | Low | 74.8 | Confident | 93 Ų | 93 | 28.4 Ų | 28.4 | 96% | 0.959 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -24.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 24 | T | 62.9 | Low | 73.7 | Confident | 36 Ų | 36 | 26.2 Ų | 26.2 | 22% | 0.221 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -19.5 | -178.5 | 71.7 | 0 | 0 | 0 | 0 | 113.1 | Q21 E22 L26 E74 | Q21-T24 HydrophobicContact CB-CG2 4.2Å; Q21-T24 WeakPolarHBondContact CB-OG1 3.37Å; Q21-T24 PolarHBondContact O-N 2.99Å; Q21-T24 PolarHBondContact O-OG1 2.85Å; E22-T24 PolarHBondContact O-N 2.89Å; T24-L26 PolarHBondContact O-N 2.74Å; T24-L26 VanDerWaalsContact OG1-CB 3.27Å; T24-L26 WeakPolarHBondContact OG1-CB 3.49Å; T24-L26 WeakPolarHBondContact OG1-CG 3.22Å; T24-L26 PolarHBondContact OG1-N 3.38Å; T24-E74 HydrophobicContact CG2-CG 3.88Å |
| 25 | G | 62.2 | Low | 72.7 | Confident | 27 Ų | 27 | 28.9 Ų | 28.9 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 14.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N40 L41 | G25-N40 CarbonylContact O-C 3.49Å; G25-N40 VanDerWaalsContact O-CA 3.27Å; G25-N40 WeakPolarHBondContact O-CA 3.37Å; G25-N40 PolarHBondContact O-OD1 3.1Å; G25-N40 VanDerWaalsContact O-OD1 3.04Å; G25-L41 WeakPolarHBondContact O-CB 3.34Å; G25-L41 PolarHBondContact O-N 2.77Å |
| 26 | L | 61.3 | Low | 71.8 | Confident | 18 Ų | 18 | 29 Ų | 29 | 9% | 0.094 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.8 | 179.2 | -60.5 | 171.8 | 0 | 0 | 0 | 111.5 | Q21 T24 F28 R39 N40 R75 | Q21-L26 PolarHBondContact N-O 2.86Å; T24-L26 PolarHBondContact O-N 2.74Å; T24-L26 VanDerWaalsContact OG1-CB 3.27Å; T24-L26 WeakPolarHBondContact OG1-CB 3.49Å; T24-L26 WeakPolarHBondContact OG1-CG 3.22Å; T24-L26 PolarHBondContact OG1-N 3.38Å; L26-F28 HydrophobicContact CB-CE2 4.35Å; L26-R39 CarbonylContact C-O 3.59Å; L26-R39 VanDerWaalsContact CA-O 3.29Å; L26-R39 WeakPolarHBondContact CA-O 3.18Å; L26-N40 HydrophobicContact CD2-CB 4.43Å; L26-R75 HydrophobicContact CD1-CG 3.36Å |
| 27 | S | 69.8 | Low | 70.8 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 137.9 | 168.1 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | V19 R39 | V19-S27 CarbonylContact O-C 3.54Å; V19-S27 WeakPolarHBondContact O-CA 3.34Å; S27-R39 PolarHBondContact N-O 3.3Å; S27-R39 PolarHBondContact O-N 2.81Å; S27-R39 VanDerWaalsContact O-O 3.12Å |
| 28 | F | 69.5 | Low | 69.5 | Low | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.5 | 171.6 | -57.2 | -85.4 | 0 | 0 | 0 | 108.7 | I18 V19 Q21 L26 C37 M69 I77 F91 | I18-F28 WeakPolarHBondContact CA-O 3.24Å; V19-F28 HydrophobicContact CB-CB 4.39Å; V19-F28 HydrophobicContact CB-CD2 4.41Å; V19-F28 HydrophobicContact CG1-CD2 4.26Å; V19-F28 PolarHBondContact N-O 2.9Å; V19-F28 PolarHBondContact O-N 3.07Å; Q21-F28 HydrophobicContact CG-CE2 4.14Å; L26-F28 HydrophobicContact CB-CE2 4.35Å; F28-C37 WeakPolarHBondContact CA-O 3.47Å; F28-M69 HydrophobicContact CB-CE 4.34Å; F28-M69 HydrophobicContact CB-SD 4.34Å; F28-M69 WeakPolarHBondContact O-CE 3.31Å; F28-I77 HydrophobicContact CB-CD1 3.93Å; F28-I77 HydrophobicContact CD1-CD1 4.24Å; F28-I77 HydrophobicContact CD2-CD1 4.46Å; F28-I77 HydrophobicContact CD2-CG2 3.77Å; F28-I77 HydrophobicContact CE2-CG2 3.93Å; F28-I77 HydrophobicContact CG-CD1 3.94Å; F28-I77 HydrophobicContact CG-CG2 4.27Å; F28-F91 HydrophobicContact CD1-CD2 4.16Å; F28-F91 HydrophobicContact CD1-CE1 4.06Å; F28-F91 AromaticContact CD1-CE2 3.47Å; F28-F91 HydrophobicContact CD1-CE2 3.47Å; F28-F91 VanDerWaalsContact CD1-CE2 3.47Å; F28-F91 AromaticContact CD1-CZ 3.41Å; F28-F91 HydrophobicContact CD1-CZ 3.41Å; F28-F91 VanDerWaalsContact CD1-CZ 3.41Å; F28-F91 AromaticContact CE1-CD1 3.94Å; F28-F91 HydrophobicContact CE1-CD1 3.94Å; F28-F91 AromaticContact CE1-CD2 3.44Å; F28-F91 HydrophobicContact CE1-CD2 3.44Å; F28-F91 VanDerWaalsContact CE1-CD2 3.44Å; F28-F91 AromaticContact CE1-CE1 3.77Å; F28-F91 HydrophobicContact CE1-CE1 3.77Å; F28-F91 AromaticContact CE1-CE2 3.24Å; F28-F91 HydrophobicContact CE1-CE2 3.24Å; F28-F91 AromaticContact CE1-CG 3.79Å; F28-F91 HydrophobicContact CE1-CG 3.79Å; F28-F91 AromaticContact CE1-CZ 3.42Å; F28-F91 HydrophobicContact CE1-CZ 3.42Å; F28-F91 VanDerWaalsContact CE1-CZ 3.42Å; F28-F91 HydrophobicContact CG-CE2 4.45Å; F28-F91 AromaticContact CZ-CD2 3.95Å; F28-F91 HydrophobicContact CZ-CD2 3.95Å; F28-F91 HydrophobicContact CZ-CE2 4.07Å; F28-F91 HydrophobicContact CZ-CG 4.37Å |
| 29 | I | 70.7 | Confident | 68.4 | Low | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.2 | -177.6 | -56 | 162.2 | 0 | 0 | 0 | 107.8 | L8 L12 P15 I18 C37 L310 | L8-I29 HydrophobicContact CD1-CD1 4.49Å; L12-I29 HydrophobicContact CD1-CD1 4.15Å; L12-I29 HydrophobicContact CD1-CG2 3.97Å; P15-I29 HydrophobicContact CB-CG2 3.52Å; I18-I29 HydrophobicContact CG2-CG1 4.46Å; I29-C37 PolarHBondContact N-O 2.8Å; I29-C37 PolarHBondContact O-N 2.87Å; I29-L310 HydrophobicContact CD1-CD2 3.66Å; I29-L310 HydrophobicContact CG1-CD2 4.36Å |
| 30 | I | 68.1 | Low | 66.9 | Low | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 141.6 | 169.5 | -73.7 | 163.5 | 0 | 0 | 0 | 109.1 | P15 S17 L36 P66 M69 | P15-I30 VanDerWaalsContact CA-O 3.25Å; P15-I30 WeakPolarHBondContact CA-O 3.43Å; S17-I30 PolarHBondContact O-N 3.46Å; I30-L36 HydrophobicContact CG1-CD1 4.04Å; I30-P66 HydrophobicContact CB-CB 4.37Å; I30-P66 HydrophobicContact CD1-CB 3.35Å; I30-P66 HydrophobicContact CG1-CB 3.62Å; I30-P66 HydrophobicContact CG2-CB 3.82Å; I30-P66 WeakPolarHBondContact CG2-O 3.16Å; I30-M69 HydrophobicContact CB-CE 4.48Å; I30-M69 HydrophobicContact CD1-CE 3.84Å; I30-M69 HydrophobicContact CD1-CG 3.41Å; I30-M69 VanDerWaalsContact CD1-CG 3.41Å; I30-M69 HydrophobicContact CD1-SD 3.64Å; I30-M69 HydrophobicContact CG1-CE 3.71Å; I30-M69 HydrophobicContact CG1-CG 4.04Å; I30-M69 HydrophobicContact CG1-SD 3.54Å; I30-M69 VanDerWaalsContact CG1-SD 3.54Å |
| 31 | R | 67.7 | Low | 65.5 | Low | 70 Ų | 70 | 30.8 Ų | 30.8 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.5 | 169.2 | -166.6 | -171.9 | 175 | 171.7 | -0.3 | 110.6 | K11 L12 T13 G33 G34 K35 | K11-R31 PolarHBondContact O-NE 2.92Å; K11-R31 PolarHBondContact O-NH1 3.17Å; L12-R31 HydrophobicContact CD2-CB 3.96Å; L12-R31 HydrophobicContact CD2-CG 3.9Å; T13-R31 WeakPolarHBondContact O-CG 3.41Å; R31-G33 PolarHBondContact O-N 3.03Å; R31-G34 PolarHBondContact O-N 3.04Å; R31-K35 PolarHBondContact N-O 3.16Å |
| 32 | L | 57.8 | Low | 64 | Low | 63 Ų | 63 | 35 Ų | 35 | 33% | 0.33 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 123.5 | 164.2 | -144 | 102.8 | 0 | 0 | 0 | 109.7 | T13 | T13-L32 HydrophobicContact CG2-CB 4.25Å; T13-L32 HydrophobicContact CG2-CD2 4.31Å; T13-L32 VanDerWaalsContact O-CB 3.23Å; T13-L32 WeakPolarHBondContact O-CB 3.34Å; T13-L32 PolarHBondContact O-N 2.94Å |
| 33 | G | 57.1 | Low | 63.2 | Low | 33 Ų | 33 | 31.1 Ų | 31.1 | 34% | 0.34 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 110.5 | 11.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R31 K35 | R31-G33 PolarHBondContact O-N 3.03Å; G33-K35 VanDerWaalsContact C-N 3.3Å; G33-K35 PolarHBondContact O-N 2.66Å |
| 34 | G | 58.1 | Low | 62.5 | Low | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 3.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | R31 | R31-G34 PolarHBondContact O-N 3.04Š|
| 35 | K | 64.1 | Low | 62.1 | Low | 56 Ų | 56 | 32.5 Ų | 32.5 | 24% | 0.243 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.8 | -175.7 | -69.4 | 178.7 | 177.5 | 170.6 | 0 | 111.2 | R31 G33 E56 | R31-K35 PolarHBondContact N-O 3.16Å; G33-K35 VanDerWaalsContact C-N 3.3Å; G33-K35 PolarHBondContact O-N 2.66Å; K35-E56 WeakPolarHBondContact CE-OE1 3.44Å; K35-E56 IonicContact NZ-OE1 2.65Å; K35-E56 PolarHBondContact NZ-OE1 2.94Å |
| 36 | L | 68.1 | Low | 62 | Low | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.1 | 171.4 | -176.9 | 70.4 | 0 | 0 | 0 | 109.3 | I30 F52 M69 I77 V79 V89 F91 | I30-L36 HydrophobicContact CG1-CD1 4.04Å; L36-F52 HydrophobicContact CB-CB 4.24Å; L36-F52 HydrophobicContact CB-CD2 4.05Å; L36-F52 HydrophobicContact CB-CG 4.32Å; L36-F52 HydrophobicContact CD2-CD2 3.63Å; L36-F52 HydrophobicContact CD2-CE2 3.89Å; L36-F52 HydrophobicContact CD2-CG 4.35Å; L36-M69 HydrophobicContact CD1-CE 4.44Å; L36-M69 HydrophobicContact CD1-SD 3.24Å; L36-M69 WeakPolarHBondContact CD1-SD 3.3Å; L36-I77 HydrophobicContact CD1-CD1 3.98Å; L36-I77 HydrophobicContact CD2-CD1 3.86Å; L36-I77 HydrophobicContact CG-CD1 4.44Å; L36-V79 HydrophobicContact CD1-CG2 4.44Å; L36-V79 HydrophobicContact CD2-CG2 4.13Å; L36-V89 HydrophobicContact CD2-CG1 3.98Å; L36-V89 HydrophobicContact CD2-CG2 4.36Å; L36-F91 HydrophobicContact CD2-CE2 3.96Å; L36-F91 HydrophobicContact CD2-CZ 3.5Å; L36-F91 HydrophobicContact CG-CZ 4.02Å |
| 37 | C | 64.8 | Low | 61.6 | Low | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.034 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.6 | 179 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | F28 I29 L46 | F28-C37 WeakPolarHBondContact CA-O 3.47Å; I29-C37 PolarHBondContact N-O 2.8Å; I29-C37 PolarHBondContact O-N 2.87Å; C37-L46 HydrophobicContact CB-CD2 3.71Å |
| 38 | G | 64.4 | Low | 60.8 | Low | 4 Ų | 4 | 40.4 Ų | 40.4 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 149.3 | 162 | 0 | 0 | 0 | 0 | 0 | 110.5 | T47 N48 | G38-T47 CarbonylContact C-O 3.2Å; G38-T47 VanDerWaalsContact C-O 3.26Å; G38-T47 CarbonylContact O-C 3.58Å; G38-N48 PolarHBondContact N-O 2.97Å |
| 39 | R | 66.3 | Low | 60 | Low | 6 Ų | 6 | 45.6 Ų | 45.6 | 2% | 0.023 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 151.4 | 177 | -165.8 | -177 | 148.1 | -157.1 | -11.3 | 111.8 | M7 L26 S27 L41 T43 A45 L46 T47 | M7-R39 PolarHBondContact SD-NH1 2.68Å; M7-R39 PolarHBondContact SD-NH2 3.47Å; L26-R39 CarbonylContact C-O 3.59Å; L26-R39 VanDerWaalsContact CA-O 3.29Å; L26-R39 WeakPolarHBondContact CA-O 3.18Å; S27-R39 PolarHBondContact N-O 3.3Å; S27-R39 PolarHBondContact O-N 2.81Å; S27-R39 VanDerWaalsContact O-O 3.12Å; R39-L41 PolarHBondContact NH2-O 2.7Å; R39-T43 PolarHBondContact NE-O 2.62Å; R39-T43 PolarHBondContact NH2-O 3.03Å; R39-A45 VanDerWaalsContact CG-O 3.3Å; R39-A45 WeakPolarHBondContact CG-O 3.32Å; R39-L46 HydrophobicContact CB-CD2 4.37Å; R39-L46 HydrophobicContact CG-CD2 4.48Å; R39-T47 WeakPolarHBondContact CA-OG1 3.48Å |
| 40 | N | 58.8 | Low | 59.3 | Low | 47 Ų | 47 | 46.5 Ų | 46.5 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123 | 156.8 | -165.2 | -47.1 | 0 | 0 | 0 | 111.5 | G25 L26 S42 T43 T47 | G25-N40 CarbonylContact O-C 3.49Å; G25-N40 VanDerWaalsContact O-CA 3.27Å; G25-N40 WeakPolarHBondContact O-CA 3.37Å; G25-N40 PolarHBondContact O-OD1 3.1Å; G25-N40 VanDerWaalsContact O-OD1 3.04Å; L26-N40 HydrophobicContact CD2-CB 4.43Å; N40-S42 PolarHBondContact O-N 3.24Å; N40-S42 VanDerWaalsContact O-N 3.07Å; N40-S42 PolarHBondContact OD1-N 3.28Å; N40-S42 PolarHBondContact OD1-OG 3.48Å; N40-T43 PolarHBondContact O-N 3.27Å; N40-T43 VanDerWaalsContact O-N 3.12Å; N40-T43 PolarHBondContact O-OG1 3.21Å; N40-T47 PolarHBondContact N-OG1 3Å |
| 41 | L | 57.5 | Low | 58.6 | Low | 38 Ų | 38 | 50.9 Ų | 50.9 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -33.2 | 178.3 | -77.9 | 169.1 | 0 | 0 | 0 | 113.2 | I20 G25 R39 F301 | I20-L41 HydrophobicContact CG2-CD1 3.78Å; G25-L41 WeakPolarHBondContact O-CB 3.34Å; G25-L41 PolarHBondContact O-N 2.77Å; R39-L41 PolarHBondContact NH2-O 2.7Å; L41-F301 HydrophobicContact CD2-CE1 4.14Å; L41-F301 HydrophobicContact CD2-CZ 3.88Å |
| 42 | S | 52.8 | Low | 58 | Low | 98 Ų | 98 | 48.2 Ų | 48.2 | 69% | 0.685 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.9 | -175.1 | 60.9 | 0 | 0 | 0 | 0 | 114.9 | N40 | N40-S42 PolarHBondContact O-N 3.24Å; N40-S42 VanDerWaalsContact O-N 3.07Å; N40-S42 PolarHBondContact OD1-N 3.28Å; N40-S42 PolarHBondContact OD1-OG 3.48Å |
| 43 | T | 56.5 | Low | 57.9 | Low | 48 Ų | 48 | 46.5 Ų | 46.5 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -110.2 | 133.2 | -178.9 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | R39 N40 A45 | R39-T43 PolarHBondContact NE-O 2.62Å; R39-T43 PolarHBondContact NH2-O 3.03Å; N40-T43 PolarHBondContact O-N 3.27Å; N40-T43 VanDerWaalsContact O-N 3.12Å; N40-T43 PolarHBondContact O-OG1 3.21Å; T43-A45 PolarHBondContact O-N 3.36Å; T43-A45 PolarHBondContact OG1-O 3.39Å |
| 44 | P | 53.4 | Low | 57.4 | Low | 109 Ų | 109 | 51.6 Ų | 51.6 | 71% | 0.708 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -70.5 | -1.1 | 179.4 | 28.1 | -34 | 0 | 0 | 0 | 114 | L8 | L8-P44 WeakPolarHBondContact CD2-O 3.37Š|
| 45 | A | 56 | Low | 57.1 | Low | 49 Ų | 49 | 55.2 Ų | 55.2 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -98 | 141.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R39 T43 T47 | R39-A45 VanDerWaalsContact CG-O 3.3Å; R39-A45 WeakPolarHBondContact CG-O 3.32Å; T43-A45 PolarHBondContact O-N 3.36Å; T43-A45 PolarHBondContact OG1-O 3.39Å; A45-T47 PolarHBondContact O-N 2.84Å |
| 46 | L | 59.5 | Low | 56.4 | Low | 43 Ų | 43 | 58 Ų | 58 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | trans | -66.4 | 128.1 | 163.6 | -74.8 | 166.3 | 0 | 0 | 0 | 107.8 | L8 C37 R39 | L8-L46 HydrophobicContact CD1-CD2 3.72Å; L8-L46 HydrophobicContact CD1-CG 4.01Å; L8-L46 HydrophobicContact CD2-CG 4.08Å; C37-L46 HydrophobicContact CB-CD2 3.71Å; R39-L46 HydrophobicContact CB-CD2 4.37Å; R39-L46 HydrophobicContact CG-CD2 4.48Å | ||
| 47 | T | 52.2 | Low | 55.6 | Low | 57 Ų | 57 | 63.5 Ų | 63.5 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | trans | -123.1 | 119.9 | -178.1 | 51 | 0 | 0 | 0 | 0 | 109.3 | G38 R39 N40 A45 | G38-T47 CarbonylContact C-O 3.2Å; G38-T47 VanDerWaalsContact C-O 3.26Å; G38-T47 CarbonylContact O-C 3.58Å; R39-T47 WeakPolarHBondContact CA-OG1 3.48Å; N40-T47 PolarHBondContact N-OG1 3Å; A45-T47 PolarHBondContact O-N 2.84Å | ||
| 48 | N | 52.8 | Low | 55 | Low | 112 Ų | 112 | 67.4 Ų | 67.4 | 60% | 0.599 | 38% | 0.376 | S | S | * | . | trans | 61.3 | 104.2 | -174.4 | -63.1 | -1.8 | 0 | 0 | 0 | 113.9 | G38 | G38-N48 PolarHBondContact N-O 2.97Š| ||
| 49 | Q | 54 | Low | 54.7 | Low | 113 Ų | 113 | 73.9 Ų | 73.9 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120.7 | 172.5 | -69.3 | 178.4 | 0.9 | 0 | 0 | 108.6 | ||
| 50 | I | 54.4 | Low | 54.4 | Low | 20 Ų | 20 | 80.8 Ų | 80.8 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 108.3 | 160.9 | -61.4 | -174.4 | 0 | 0 | 0 | 105.9 | F52 F91 V96 | I50-F52 HydrophobicContact CB-CD2 4.45Å; I50-F52 HydrophobicContact CG2-CD2 3.75Å; I50-F52 HydrophobicContact CG2-CE2 3.83Å; I50-F52 PolarHBondContact O-N 3.27Å; I50-F91 HydrophobicContact CB-CD1 4.46Å; I50-F91 HydrophobicContact CB-CE1 3.91Å; I50-F91 HydrophobicContact CB-CZ 4.49Å; I50-F91 HydrophobicContact CD1-CB 4.28Å; I50-F91 HydrophobicContact CD1-CD1 3.17Å; I50-F91 HydrophobicContact CD1-CD2 4.37Å; I50-F91 HydrophobicContact CD1-CE1 3.46Å; I50-F91 VanDerWaalsContact CD1-CE1 3.46Å; I50-F91 HydrophobicContact CD1-CG 3.69Å; I50-F91 HydrophobicContact CD1-CZ 4.18Å; I50-F91 HydrophobicContact CG1-CD1 3.59Å; I50-F91 HydrophobicContact CG1-CE1 3.52Å; I50-F91 HydrophobicContact CG1-CZ 4.44Å; I50-V96 HydrophobicContact CG2-CG2 4.4Å |
| 51 | I | 53.3 | Low | 54.6 | Low | 95 Ų | 95 | 80.8 Ų | 80.8 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | trans | -73.4 | 97.1 | 174.3 | -59 | 174.6 | 0 | 0 | 0 | 106.4 | ||||
| 52 | F | 55.9 | Low | 55 | Low | 14 Ų | 14 | 85.1 Ų | 85.1 | 6% | 0.061 | 45% | 0.452 | C | S | . | . | trans | -65.5 | -40 | -173.9 | -122.3 | -103.7 | 0 | 0 | 0 | 113 | L36 I50 Y87 V89 V96 | L36-F52 HydrophobicContact CB-CB 4.24Å; L36-F52 HydrophobicContact CB-CD2 4.05Å; L36-F52 HydrophobicContact CB-CG 4.32Å; L36-F52 HydrophobicContact CD2-CD2 3.63Å; L36-F52 HydrophobicContact CD2-CE2 3.89Å; L36-F52 HydrophobicContact CD2-CG 4.35Å; I50-F52 HydrophobicContact CB-CD2 4.45Å; I50-F52 HydrophobicContact CG2-CD2 3.75Å; I50-F52 HydrophobicContact CG2-CE2 3.83Å; I50-F52 PolarHBondContact O-N 3.27Å; F52-Y87 HydrophobicContact CE1-CD1 4.11Å; F52-Y87 AromaticContact CE1-CG 3.92Å; F52-Y87 HydrophobicContact CE1-CG 3.92Å; F52-V89 HydrophobicContact CD2-CG1 4.25Å; F52-V89 HydrophobicContact CE1-CG2 3.59Å; F52-V89 HydrophobicContact CE2-CB 3.83Å; F52-V89 HydrophobicContact CE2-CG1 3.16Å; F52-V89 HydrophobicContact CE2-CG2 3.51Å; F52-V89 HydrophobicContact CZ-CB 3.63Å; F52-V89 HydrophobicContact CZ-CG1 3.51Å; F52-V89 HydrophobicContact CZ-CG2 2.95Å; F52-V96 HydrophobicContact CD1-CG1 4.19Å; F52-V96 HydrophobicContact CD2-CG2 4.21Å; F52-V96 HydrophobicContact CE1-CB 4.23Å; F52-V96 HydrophobicContact CE1-CG1 3.26Å; F52-V96 HydrophobicContact CE1-CG2 4.04Å; F52-V96 HydrophobicContact CE2-CB 4.32Å; F52-V96 HydrophobicContact CE2-CG1 4.2Å; F52-V96 HydrophobicContact CE2-CG2 3.32Å; F52-V96 HydrophobicContact CZ-CB 3.7Å; F52-V96 HydrophobicContact CZ-CG1 3.22Å; F52-V96 HydrophobicContact CZ-CG2 3.19Å | ||
| 53 | F | 55.7 | Low | 55.8 | Low | 27 Ų | 27 | 80.8 Ų | 80.8 | 12% | 0.118 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -140.5 | 137.3 | -177.5 | -58.7 | -65.3 | 0 | 0 | 0 | 110.8 | C63 D81 L84 Y87 | F53-C63 WeakPolarHBondContact CB-O 3.44Å; F53-D81 HydrophobicContact CE2-CB 4.47Å; F53-L84 HydrophobicContact CB-CD1 4.41Å; F53-L84 HydrophobicContact CD1-CD1 3.39Å; F53-L84 HydrophobicContact CD2-CD1 4.01Å; F53-L84 HydrophobicContact CE1-CD1 3.59Å; F53-L84 HydrophobicContact CE2-CD1 4.14Å; F53-L84 HydrophobicContact CG-CD1 3.65Å; F53-L84 HydrophobicContact CZ-CD1 3.97Å; F53-Y87 AromaticContact CE1-CE1 3.85Å; F53-Y87 HydrophobicContact CE1-CE1 3.85Å; F53-Y87 HydrophobicContact CE1-CE2 4.09Å; F53-Y87 AromaticContact CE1-CZ 3.57Å; F53-Y87 HydrophobicContact CE2-CE2 4.27Å; F53-Y87 HydrophobicContact CZ-CD1 4.14Å; F53-Y87 AromaticContact CZ-CD2 3.78Å; F53-Y87 HydrophobicContact CZ-CD2 3.78Å; F53-Y87 AromaticContact CZ-CE1 3.75Å; F53-Y87 HydrophobicContact CZ-CE1 3.75Å; F53-Y87 AromaticContact CZ-CE2 3.38Å; F53-Y87 HydrophobicContact CZ-CE2 3.38Å; F53-Y87 HydrophobicContact CZ-CG 4.15Å; F53-Y87 AromaticContact CZ-CZ 3.35Å |
| 54 | I | 47.7 | Very low | 56.8 | Low | 139 Ų | 139 | 78.7 Ų | 78.7 | 71% | 0.713 | 41% | 0.41 | S | S | * | . | trans | -91.8 | 137.1 | -159.7 | -57.5 | 170.8 | 0 | 0 | 0 | 109.5 | ||||
| 55 | D | 50.9 | Low | 58.2 | Low | 77 Ų | 77 | 75.2 Ų | 75.2 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | trans | 75.9 | 101.3 | 167.2 | -157.1 | -12.1 | 0 | 0 | 0 | 117.3 | T57 M58 C63 | D55-T57 PolarHBondContact O-N 2.87Å; D55-T57 VanDerWaalsContact O-N 3.09Å; D55-T57 VanDerWaalsContact OD1-CB 3.27Å; D55-T57 WeakPolarHBondContact OD1-CB 3.21Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.3Å; D55-T57 PolarHBondContact OD1-N 2.87Å; D55-T57 PolarHBondContact OD1-OG1 3.04Å; D55-T57 PolarHBondContact OD2-OG1 3.1Å; D55-M58 HydrophobicContact CB-CG 4.08Å; D55-M58 HydrophobicContact CB-SD 4.45Å; D55-M58 PolarHBondContact O-N 2.88Å; D55-C63 PolarHBondContact O-SG 2.77Å | ||
| 56 | E | 50.2 | Low | 59.6 | Low | 114 Ų | 114 | 73 Ų | 73 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -11.9 | 173.5 | -67.7 | -179.2 | -173.3 | 0 | 0 | 113.5 | K35 | K35-E56 WeakPolarHBondContact CE-OE1 3.44Å; K35-E56 IonicContact NZ-OE1 2.65Å; K35-E56 PolarHBondContact NZ-OE1 2.94Å |
| 57 | T | 50 | Low | 61 | Low | 119 Ų | 119 | 71 Ų | 71 | 73% | 0.73 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -13.2 | 177.9 | 72.3 | 0 | 0 | 0 | 0 | 113.5 | D55 | D55-T57 PolarHBondContact O-N 2.87Å; D55-T57 VanDerWaalsContact O-N 3.09Å; D55-T57 VanDerWaalsContact OD1-CB 3.27Å; D55-T57 WeakPolarHBondContact OD1-CB 3.21Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.3Å; D55-T57 PolarHBondContact OD1-N 2.87Å; D55-T57 PolarHBondContact OD1-OG1 3.04Å; D55-T57 PolarHBondContact OD2-OG1 3.1Å |
| 58 | M | 52.8 | Low | 63 | Low | 86 Ų | 86 | 68.3 Ų | 68.3 | 42% | 0.424 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -80.4 | 161.3 | 178.9 | -63.1 | -169.3 | 82.7 | 0 | 0 | 112.2 | D55 K62 C63 | D55-M58 HydrophobicContact CB-CG 4.08Å; D55-M58 HydrophobicContact CB-SD 4.45Å; D55-M58 PolarHBondContact O-N 2.88Å; M58-K62 HydrophobicContact CB-CB 4.25Å; M58-K62 HydrophobicContact CE-CB 4.15Å; M58-K62 HydrophobicContact CE-CD 3.58Å; M58-C63 WeakPolarHBondContact CB-SG 3.46Å; M58-C63 PolarHBondContact O-SG 3.31Å |
| 59 | E | 57.7 | Low | 64.9 | Low | 141 Ų | 141 | 63 Ų | 63 | 66% | 0.659 | 31% | 0.308 | S | S | * | . | trans | -63.4 | 144.3 | 176.1 | -144.4 | 175.3 | -173.5 | 0 | 0 | 110.3 | S61 K62 C63 | E59-S61 PolarHBondContact O-N 2.83Å; E59-K62 WeakPolarHBondContact O-CA 3.28Å; E59-K62 WeakPolarHBondContact O-CB 3.45Å; E59-K62 PolarHBondContact O-N 2.94Å; E59-C63 PolarHBondContact O-N 2.93Å; E59-C63 VanDerWaalsContact O-N 3.17Å | ||
| 60 | R | 60.7 | Low | 66.9 | Low | 150 Ų | 150 | 58.5 Ų | 58.5 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -52.6 | -34.6 | -171.5 | -74.3 | -177 | 177.7 | 177.4 | -1.6 | 114.6 | K62 C63 G64 Y83 | R60-K62 PolarHBondContact O-N 2.8Å; R60-C63 PolarHBondContact O-N 3.03Å; R60-G64 PolarHBondContact O-N 2.85Å; R60-G64 VanDerWaalsContact O-N 3.11Å; R60-Y83 HydrophobicContact CB-CE2 4.17Å; R60-Y83 VanDerWaalsContact O-CD2 3.28Å; R60-Y83 WeakPolarHBondContact O-CD2 3.45Å |
| 61 | S | 62.4 | Low | 68.7 | Low | 48 Ų | 48 | 59.9 Ų | 59.9 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.5 | -15.5 | 177.7 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | E59 | E59-S61 PolarHBondContact O-N 2.83Å |
| 62 | K | 66.7 | Low | 70.5 | Confident | 128 Ų | 128 | 57.5 Ų | 57.5 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -102.2 | -33.8 | 177.2 | -59.9 | -175 | -177.9 | 179.5 | 0 | 112.2 | M58 E59 R60 G64 | M58-K62 HydrophobicContact CB-CB 4.25Å; M58-K62 HydrophobicContact CE-CB 4.15Å; M58-K62 HydrophobicContact CE-CD 3.58Å; E59-K62 WeakPolarHBondContact O-CA 3.28Å; E59-K62 WeakPolarHBondContact O-CB 3.45Å; E59-K62 PolarHBondContact O-N 2.94Å; R60-K62 PolarHBondContact O-N 2.8Å; K62-G64 VanDerWaalsContact C-N 3.29Å |
| 63 | C | 69.8 | Low | 72.2 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77 | -13.7 | 175.1 | -52.5 | 0 | 0 | 0 | 0 | 114 | F53 D55 M58 E59 R60 | F53-C63 WeakPolarHBondContact CB-O 3.44Å; D55-C63 PolarHBondContact O-SG 2.77Å; M58-C63 WeakPolarHBondContact CB-SG 3.46Å; M58-C63 PolarHBondContact O-SG 3.31Å; E59-C63 PolarHBondContact O-N 2.93Å; E59-C63 VanDerWaalsContact O-N 3.17Å; R60-C63 PolarHBondContact O-N 3.03Å |
| 64 | G | 77.3 | Confident | 73.8 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | trans | 74.3 | 166.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R60 K62 D81 | R60-G64 PolarHBondContact O-N 2.85Å; R60-G64 VanDerWaalsContact O-N 3.11Å; K62-G64 VanDerWaalsContact C-N 3.29Å; G64-D81 WeakPolarHBondContact CA-OD1 3.33Å; G64-D81 WeakPolarHBondContact CA-OD2 3.4Å | ||
| 65 | R | 81.9 | Confident | 75.6 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | trans | -149.5 | 92.8 | 167.1 | -178.5 | 177.2 | -177.6 | 166.1 | -4.1 | 107.4 | E16 L67 D81 A82 Y83 | E16-R65 IonicContact OE1-NH2 3.53Å; E16-R65 PolarHBondContact OE1-NH2 2.83Å; E16-R65 IonicContact OE2-CZ 3.57Å; E16-R65 IonicContact OE2-NE 3.06Å; E16-R65 PolarHBondContact OE2-NE 3.02Å; E16-R65 IonicContact OE2-NH2 3.91Å; E16-R65 PolarHBondContact OE2-NH2 2.91Å; R65-L67 HydrophobicContact CG-CD2 3.78Å; R65-L67 HydrophobicContact CG-CG 4.29Å; R65-L67 PolarHBondContact O-N 2.79Å; R65-D81 VanDerWaalsContact N-CG 3.31Å; R65-D81 PolarHBondContact N-OD1 2.78Å; R65-D81 PolarHBondContact N-OD2 2.78Å; R65-A82 HydrophobicContact CB-CB 4.19Å; R65-A82 WeakPolarHBondContact O-CB 3.31Å; R65-A82 PolarHBondContact O-N 3.38Å; R65-Y83 HydrophobicContact CB-CD2 3.93Å; R65-Y83 HydrophobicContact CB-CE2 3.49Å; R65-Y83 VanDerWaalsContact CB-CE2 3.49Å | ||
| 66 | P | 86.4 | Confident | 77.4 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 136.4 | 167.7 | -26.6 | 37.8 | 0 | 0 | 0 | 109.5 | I30 V79 A80 D81 | I30-P66 HydrophobicContact CB-CB 4.37Å; I30-P66 HydrophobicContact CD1-CB 3.35Å; I30-P66 HydrophobicContact CG1-CB 3.62Å; I30-P66 HydrophobicContact CG2-CB 3.82Å; I30-P66 WeakPolarHBondContact CG2-O 3.16Å; P66-V79 HydrophobicContact CB-CG1 3.77Å; P66-V79 HydrophobicContact CG-CG1 4.17Å; P66-A80 CarbonylContact C-O 3.32Å; P66-A80 VanDerWaalsContact CA-O 3.3Å; P66-A80 WeakPolarHBondContact CA-O 3.46Å; P66-D81 WeakPolarHBondContact CD-OD2 3.29Å; P66-D81 VanDerWaalsContact N-OD2 3.13Å |
| 67 | L | 89 | Confident | 79.4 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | -32.6 | -178.4 | -69.4 | -176.3 | 0 | 0 | 0 | 112.2 | E16 S17 R65 A80 A82 F113 N115 | E16-L67 HydrophobicContact CG-CD2 4.23Å; E16-L67 WeakPolarHBondContact OE1-CD2 3.46Å; E16-L67 WeakPolarHBondContact OE2-CD2 3.48Å; S17-L67 WeakPolarHBondContact CB-O 3.42Å; R65-L67 HydrophobicContact CG-CD2 3.78Å; R65-L67 HydrophobicContact CG-CG 4.29Å; R65-L67 PolarHBondContact O-N 2.79Å; L67-A80 PolarHBondContact N-O 2.55Å; L67-A82 HydrophobicContact CD1-CB 3.62Å; L67-A82 HydrophobicContact CG-CB 4.05Å; L67-F113 HydrophobicContact CD1-CE1 4.01Å; L67-F113 HydrophobicContact CD1-CZ 4.39Å; L67-N115 CarbonylContact C-O 3.54Å; L67-N115 WeakPolarHBondContact CB-O 3.3Å; L67-N115 HydrophobicContact CD1-CB 4.37Å |
| 68 | G | 93 | Very high | 81.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A80 N115 | G68-A80 PolarHBondContact O-N 2.57Å; G68-N115 WeakPolarHBondContact CA-O 3.41Å; G68-N115 PolarHBondContact N-O 3.44Å |
| 69 | M | 93.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154.1 | 179.1 | -63.6 | -176.2 | -66.1 | 0 | 0 | 111.7 | S17 V19 F28 I30 L36 I77 L78 V79 | S17-M69 WeakPolarHBondContact O-CE 3.43Å; S17-M69 PolarHBondContact OG-N 2.73Å; V19-M69 HydrophobicContact CG2-CB 3.44Å; V19-M69 VanDerWaalsContact CG2-CB 3.44Å; V19-M69 HydrophobicContact CG2-CE 4.38Å; F28-M69 HydrophobicContact CB-CE 4.34Å; F28-M69 HydrophobicContact CB-SD 4.34Å; F28-M69 WeakPolarHBondContact O-CE 3.31Å; I30-M69 HydrophobicContact CB-CE 4.48Å; I30-M69 HydrophobicContact CD1-CE 3.84Å; I30-M69 HydrophobicContact CD1-CG 3.41Å; I30-M69 VanDerWaalsContact CD1-CG 3.41Å; I30-M69 HydrophobicContact CD1-SD 3.64Å; I30-M69 HydrophobicContact CG1-CE 3.71Å; I30-M69 HydrophobicContact CG1-CG 4.04Å; I30-M69 HydrophobicContact CG1-SD 3.54Å; I30-M69 VanDerWaalsContact CG1-SD 3.54Å; L36-M69 HydrophobicContact CD1-CE 4.44Å; L36-M69 HydrophobicContact CD1-SD 3.24Å; L36-M69 WeakPolarHBondContact CD1-SD 3.3Å; M69-I77 HydrophobicContact SD-CD1 3.76Å; M69-L78 WeakPolarHBondContact CA-O 3.36Å; M69-V79 HydrophobicContact CG-CG2 4.08Å; M69-V79 HydrophobicContact SD-CG2 4.39Å |
| 70 | R | 94.6 | Very high | 85.2 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 150.9 | 168.3 | -74.9 | -61.2 | -174.1 | -66.6 | -8.8 | 112.6 | I77 L78 D116 L117 D118 V169 R216 | R70-I77 CarbonylContact O-C 3.43Å; R70-I77 WeakPolarHBondContact O-CA 3.5Å; R70-I77 VanDerWaalsContact O-CB 3.23Å; R70-I77 WeakPolarHBondContact O-CB 3.35Å; R70-L78 PolarHBondContact N-O 2.69Å; R70-L78 PolarHBondContact O-N 2.96Å; R70-D116 IonicContact CZ-OD1 2.7Å; R70-D116 IonicContact NH1-OD1 3.25Å; R70-D116 PolarHBondContact NH1-OD1 2.88Å; R70-D116 IonicContact NH1-OD2 3.34Å; R70-D116 IonicContact NH2-OD1 3.67Å; R70-D116 IonicContact NH2-OD2 3.09Å; R70-L117 HydrophobicContact CB-CD1 3.73Å; R70-L117 HydrophobicContact CG-CD1 3.65Å; R70-L117 VanDerWaalsContact CG-O 3.28Å; R70-L117 WeakPolarHBondContact CG-O 3.41Å; R70-L117 PolarHBondContact NH1-O 2.78Å; R70-L117 PolarHBondContact NH2-O 2.88Å; R70-D118 WeakPolarHBondContact CD-OD1 3.25Å; R70-D118 WeakPolarHBondContact CG-OD1 3.17Å; R70-D118 IonicContact CZ-OD1 3.72Å; R70-D118 IonicContact CZ-OD2 2.8Å; R70-D118 VanDerWaalsContact NE-CG 3.35Å; R70-D118 IonicContact NE-OD1 3.17Å; R70-D118 PolarHBondContact NE-OD1 3.49Å; R70-D118 VanDerWaalsContact NE-OD1 3.09Å; R70-D118 IonicContact NE-OD2 3.94Å; R70-D118 PolarHBondContact NE-OD2 3.23Å; R70-D118 IonicContact NH2-OD2 3.51Å; R70-D118 PolarHBondContact NH2-OD2 3.43Å; R70-V169 PolarHBondContact NH2-O 2.86Å; R70-R216 VanDerWaalsContact CZ-NH1 3.32Å; R70-R216 VanDerWaalsContact NH1-NH1 3.19Å |
| 71 | S | 92.5 | Very high | 86.6 | Confident | 49 Ų | 49 | 31.7 Ų | 31.7 | 34% | 0.343 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.1 | 168.2 | -170 | 0 | 0 | 0 | 0 | 109.4 | Q21 | Q21-S71 PolarHBondContact NE2-OG 3.01Å |
| 72 | L | 92.7 | Very high | 87.8 | Confident | 46 Ų | 46 | 29.4 Ų | 29.4 | 24% | 0.241 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -41.9 | 171.4 | -176.3 | 61.1 | 0 | 0 | 0 | 110.6 | R76 L78 I119 | L72-R76 HydrophobicContact CB-CG 4.35Å; L72-R76 HydrophobicContact CD2-CG 4.19Å; L72-R76 PolarHBondContact N-O 3.38Å; L72-L78 HydrophobicContact CB-CG 4.32Å; L72-L78 HydrophobicContact CD1-CD1 4.43Å; L72-L78 HydrophobicContact CD2-CD2 4.19Å; L72-L78 HydrophobicContact CD2-CG 4.39Å; L72-I119 HydrophobicContact CD1-CD1 3.53Å |
| 73 | A | 91.2 | Very high | 88.7 | Confident | 47 Ų | 47 | 24.3 Ų | 24.3 | 39% | 0.388 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q21 R75 R76 | Q21-A73 PolarHBondContact NE2-O 3.05Å; A73-R75 PolarHBondContact O-N 3.31Å; A73-R75 VanDerWaalsContact O-N 3.12Å; A73-R76 HydrophobicContact CB-CB 4.14Å; A73-R76 PolarHBondContact N-O 3.04Å; A73-R76 PolarHBondContact O-N 2.93Å |
| 74 | E | 87.9 | Confident | 89.6 | Confident | 127 Ų | 127 | 25.6 Ų | 25.6 | 59% | 0.593 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 123.5 | 173.6 | 176.9 | 170.2 | -169.2 | 0 | 0 | 110.8 | T24 R76 N92 | T24-E74 HydrophobicContact CG2-CG 3.88Å; E74-R76 PolarHBondContact O-N 2.92Å; E74-R76 VanDerWaalsContact O-N 3.11Å; E74-N92 PolarHBondContact O-ND2 3.24Å; E74-N92 VanDerWaalsContact O-ND2 3.14Å |
| 75 | R | 85.8 | Confident | 90.3 | Very high | 61 Ų | 61 | 25.4 Ų | 25.4 | 23% | 0.23 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 17.6 | -177.3 | -62.2 | 172.2 | 61.4 | 78.5 | 10.3 | 114.4 | L26 A73 F91 N92 | L26-R75 HydrophobicContact CD1-CG 3.36Å; A73-R75 PolarHBondContact O-N 3.31Å; A73-R75 VanDerWaalsContact O-N 3.12Å; R75-F91 HydrophobicContact CB-CB 4.16Å; R75-F91 PolarHBondContact NH2-O 2.88Å; R75-F91 VanDerWaalsContact O-CB 3.27Å; R75-F91 WeakPolarHBondContact O-CB 3.22Å; R75-F91 WeakPolarHBondContact O-CD2 3.44Å; R75-F91 PolarHBondContact O-N 3.29Å; R75-N92 WeakPolarHBondContact CB-OD1 3.43Å; R75-N92 WeakPolarHBondContact CD-OD1 3.3Å; R75-N92 PolarHBondContact NE-OD1 3.49Å |
| 76 | R | 89.6 | Confident | 91 | Very high | 89 Ų | 89 | 23.7 Ų | 23.7 | 34% | 0.336 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127.1 | 173.2 | -170.6 | 177.3 | 173.2 | -159.6 | -2.5 | 110.5 | L72 A73 E74 D88 V89 D90 | L72-R76 HydrophobicContact CB-CG 4.35Å; L72-R76 HydrophobicContact CD2-CG 4.19Å; L72-R76 PolarHBondContact N-O 3.38Å; A73-R76 HydrophobicContact CB-CB 4.14Å; A73-R76 PolarHBondContact N-O 3.04Å; A73-R76 PolarHBondContact O-N 2.93Å; E74-R76 PolarHBondContact O-N 2.92Å; E74-R76 VanDerWaalsContact O-N 3.11Å; R76-D88 WeakPolarHBondContact CG-OD1 3.34Å; R76-D88 IonicContact CZ-OD1 3.58Å; R76-D88 IonicContact CZ-OD2 3.35Å; R76-D88 IonicContact NE-OD1 2.77Å; R76-D88 PolarHBondContact NE-OD1 2.81Å; R76-D88 IonicContact NE-OD2 3.41Å; R76-D88 PolarHBondContact NE-OD2 3.08Å; R76-D88 IonicContact NH2-OD1 3.38Å; R76-D88 IonicContact NH2-OD2 3.87Å; R76-D88 PolarHBondContact NH2-OD2 2.98Å; R76-V89 CarbonylContact C-O 2.94Å; R76-V89 WeakPolarHBondContact CA-O 3.01Å; R76-V89 WeakPolarHBondContact CG-O 3.33Å; R76-D90 HydrophobicContact CG-CB 4.11Å |
| 77 | I | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152.4 | -174.9 | 69 | 172.8 | 0 | 0 | 0 | 111.3 | V19 F28 L36 M69 R70 V79 V89 F91 | V19-I77 HydrophobicContact CG1-CG2 4.32Å; F28-I77 HydrophobicContact CB-CD1 3.93Å; F28-I77 HydrophobicContact CD1-CD1 4.24Å; F28-I77 HydrophobicContact CD2-CD1 4.46Å; F28-I77 HydrophobicContact CD2-CG2 3.77Å; F28-I77 HydrophobicContact CE2-CG2 3.93Å; F28-I77 HydrophobicContact CG-CD1 3.94Å; F28-I77 HydrophobicContact CG-CG2 4.27Å; L36-I77 HydrophobicContact CD1-CD1 3.98Å; L36-I77 HydrophobicContact CD2-CD1 3.86Å; L36-I77 HydrophobicContact CG-CD1 4.44Å; M69-I77 HydrophobicContact SD-CD1 3.76Å; R70-I77 CarbonylContact O-C 3.43Å; R70-I77 WeakPolarHBondContact O-CA 3.5Å; R70-I77 VanDerWaalsContact O-CB 3.23Å; R70-I77 WeakPolarHBondContact O-CB 3.35Å; I77-V79 HydrophobicContact CD1-CG2 3.92Å; I77-V79 HydrophobicContact CG1-CG2 4.04Å; I77-V89 HydrophobicContact CG1-CB 3.82Å; I77-V89 HydrophobicContact CG1-CG1 4.43Å; I77-V89 HydrophobicContact CG1-CG2 4.09Å; I77-V89 PolarHBondContact N-O 3.42Å; I77-V89 WeakPolarHBondContact O-CB 3.45Å; I77-V89 WeakPolarHBondContact O-CG2 3.39Å; I77-V89 PolarHBondContact O-N 3.1Å; I77-F91 HydrophobicContact CD1-CE2 4.01Å; I77-F91 HydrophobicContact CG1-CE2 4.04Å |
| 78 | L | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 141.8 | 164.2 | -67 | 172.8 | 0 | 0 | 0 | 109.6 | M69 R70 L72 Y87 D88 L99 L117 I119 I124 | M69-L78 WeakPolarHBondContact CA-O 3.36Å; R70-L78 PolarHBondContact N-O 2.69Å; R70-L78 PolarHBondContact O-N 2.96Å; L72-L78 HydrophobicContact CB-CG 4.32Å; L72-L78 HydrophobicContact CD1-CD1 4.43Å; L72-L78 HydrophobicContact CD2-CD2 4.19Å; L72-L78 HydrophobicContact CD2-CG 4.39Å; L78-Y87 CarbonylContact C-O 3.5Å; L78-Y87 VanDerWaalsContact CA-O 3.3Å; L78-Y87 WeakPolarHBondContact CA-O 3.4Å; L78-D88 HydrophobicContact CD2-CB 4.3Å; L78-L99 HydrophobicContact CD2-CD1 3.73Å; L78-L117 HydrophobicContact CB-CD1 3.61Å; L78-L117 HydrophobicContact CB-CD2 4.02Å; L78-L117 HydrophobicContact CD1-CD1 4.08Å; L78-I119 HydrophobicContact CD1-CB 4.11Å; L78-I119 HydrophobicContact CD1-CD1 4.04Å; L78-I119 HydrophobicContact CD1-CG2 4.37Å; L78-I124 HydrophobicContact CD1-CD1 3.64Å; L78-I124 HydrophobicContact CD1-CG1 3.83Å; L78-I124 HydrophobicContact CD2-CD1 3.7Å; L78-I124 HydrophobicContact CG-CD1 4.29Å |
| 79 | V | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 121.6 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | L36 P66 M69 I77 I86 Y87 V89 | L36-V79 HydrophobicContact CD1-CG2 4.44Å; L36-V79 HydrophobicContact CD2-CG2 4.13Å; P66-V79 HydrophobicContact CB-CG1 3.77Å; P66-V79 HydrophobicContact CG-CG1 4.17Å; M69-V79 HydrophobicContact CG-CG2 4.08Å; M69-V79 HydrophobicContact SD-CG2 4.39Å; I77-V79 HydrophobicContact CD1-CG2 3.92Å; I77-V79 HydrophobicContact CG1-CG2 4.04Å; V79-I86 WeakPolarHBondContact O-CA 3.41Å; V79-Y87 PolarHBondContact N-O 3.02Å; V79-Y87 PolarHBondContact O-N 3.49Å; V79-V89 HydrophobicContact CB-CG2 4.19Å; V79-V89 HydrophobicContact CG2-CG2 3.47Å; V79-V89 VanDerWaalsContact CG2-CG2 3.47Å |
| 80 | A | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 112 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P66 L67 G68 I114 L117 | P66-A80 CarbonylContact C-O 3.32Å; P66-A80 VanDerWaalsContact CA-O 3.3Å; P66-A80 WeakPolarHBondContact CA-O 3.46Å; L67-A80 PolarHBondContact N-O 2.55Å; G68-A80 PolarHBondContact O-N 2.57Å; A80-I114 HydrophobicContact CB-CG2 3.71Å; A80-L117 HydrophobicContact CB-CD2 3.75Å; A80-L117 HydrophobicContact CB-CG 4.1Å |
| 81 | D | 90.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.7 | 168.5 | -167.9 | -77.2 | 0 | 0 | 0 | 111 | F53 G64 R65 P66 Y83 L84 G85 Y87 | F53-D81 HydrophobicContact CE2-CB 4.47Å; G64-D81 WeakPolarHBondContact CA-OD1 3.33Å; G64-D81 WeakPolarHBondContact CA-OD2 3.4Å; R65-D81 VanDerWaalsContact N-CG 3.31Å; R65-D81 PolarHBondContact N-OD1 2.78Å; R65-D81 PolarHBondContact N-OD2 2.78Å; P66-D81 WeakPolarHBondContact CD-OD2 3.29Å; P66-D81 VanDerWaalsContact N-OD2 3.13Å; D81-Y83 PolarHBondContact O-N 3.24Å; D81-Y83 VanDerWaalsContact O-N 3.08Å; D81-Y83 WeakPolarHBondContact OD1-CA 3.25Å; D81-Y83 PolarHBondContact OD1-N 3.27Å; D81-L84 HydrophobicContact CB-CB 4.12Å; D81-L84 PolarHBondContact OD1-N 3.49Å; D81-G85 WeakPolarHBondContact CA-O 3.37Å; D81-G85 WeakPolarHBondContact CB-O 3.38Å; D81-G85 PolarHBondContact N-O 3.5Å; D81-G85 PolarHBondContact O-N 3.48Å; D81-Y87 HydrophobicContact CB-CD2 4.48Å; D81-Y87 HydrophobicContact CB-CE2 4.21Å |
| 82 | A | 88.2 | Confident | 90.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R65 L67 F113 I114 | R65-A82 HydrophobicContact CB-CB 4.19Å; R65-A82 WeakPolarHBondContact O-CB 3.31Å; R65-A82 PolarHBondContact O-N 3.38Å; L67-A82 HydrophobicContact CD1-CB 3.62Å; L67-A82 HydrophobicContact CG-CB 4.05Å; A82-F113 WeakPolarHBondContact O-CA 3.49Å; A82-F113 PolarHBondContact O-N 3.12Å; A82-I114 VanDerWaalsContact CA-O 3.23Å; A82-I114 WeakPolarHBondContact CA-O 3.36Å; A82-I114 PolarHBondContact N-O 2.92Å; A82-I114 PolarHBondContact O-N 3.24Å |
| 83 | Y | 85 | Confident | 89.9 | Confident | 20 Ų | 20 | 29.4 Ų | 29.4 | 8% | 0.078 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -39.3 | -172 | -51.8 | -61.4 | 0 | 0 | 0 | 112.3 | R60 R65 D81 G102 W133 | R60-Y83 HydrophobicContact CB-CE2 4.17Å; R60-Y83 VanDerWaalsContact O-CD2 3.28Å; R60-Y83 WeakPolarHBondContact O-CD2 3.45Å; R65-Y83 HydrophobicContact CB-CD2 3.93Å; R65-Y83 HydrophobicContact CB-CE2 3.49Å; R65-Y83 VanDerWaalsContact CB-CE2 3.49Å; D81-Y83 PolarHBondContact O-N 3.24Å; D81-Y83 VanDerWaalsContact O-N 3.08Å; D81-Y83 WeakPolarHBondContact OD1-CA 3.25Å; D81-Y83 PolarHBondContact OD1-N 3.27Å; Y83-G102 WeakPolarHBondContact O-CA 3.49Å; Y83-W133 AromaticContact CD1-CE3 3.53Å; Y83-W133 HydrophobicContact CD1-CE3 3.53Å; Y83-W133 AromaticContact CD1-CZ3 3.9Å; Y83-W133 HydrophobicContact CD1-CZ3 3.9Å; Y83-W133 HydrophobicContact CE1-CB 4.3Å; Y83-W133 HydrophobicContact CE1-CE3 4.07Å |
| 84 | L | 87.5 | Confident | 89.3 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 18% | 0.178 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -13.5 | -166.6 | -53.6 | -179.1 | 0 | 0 | 0 | 113 | F53 D81 Y87 Q98 G102 | F53-L84 HydrophobicContact CB-CD1 4.41Å; F53-L84 HydrophobicContact CD1-CD1 3.39Å; F53-L84 HydrophobicContact CD2-CD1 4.01Å; F53-L84 HydrophobicContact CE1-CD1 3.59Å; F53-L84 HydrophobicContact CE2-CD1 4.14Å; F53-L84 HydrophobicContact CG-CD1 3.65Å; F53-L84 HydrophobicContact CZ-CD1 3.97Å; D81-L84 HydrophobicContact CB-CB 4.12Å; D81-L84 PolarHBondContact OD1-N 3.49Å; L84-Y87 HydrophobicContact CB-CE2 3.9Å; L84-Y87 VanDerWaalsContact CB-OH 3.26Å; L84-Y87 WeakPolarHBondContact CB-OH 3.38Å; L84-Y87 PolarHBondContact O-OH 3.03Å; L84-Q98 PolarHBondContact O-NE2 2.92Å; L84-G102 PolarHBondContact O-N 2.8Å |
| 85 | G | 92.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 111 | -149.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D81 V100 | D81-G85 WeakPolarHBondContact CA-O 3.37Å; D81-G85 WeakPolarHBondContact CB-O 3.38Å; D81-G85 PolarHBondContact N-O 3.5Å; D81-G85 PolarHBondContact O-N 3.48Å; G85-V100 CarbonylContact C-O 3.55Å; G85-V100 VanDerWaalsContact CA-O 3.23Å; G85-V100 WeakPolarHBondContact CA-O 3.4Å |
| 86 | I | 95.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.1 | -176.9 | -58.6 | 176.7 | 0 | 0 | 0 | 109.5 | V79 L99 V100 I114 L117 I124 F126 | V79-I86 WeakPolarHBondContact O-CA 3.41Å; I86-L99 HydrophobicContact CG2-CD1 4.47Å; I86-L99 PolarHBondContact O-N 3.1Å; I86-V100 HydrophobicContact CB-CB 4.01Å; I86-V100 HydrophobicContact CB-CG2 4.31Å; I86-V100 HydrophobicContact CD1-CB 4.35Å; I86-V100 HydrophobicContact CD1-CG2 4.2Å; I86-V100 HydrophobicContact CG1-CB 4.21Å; I86-V100 PolarHBondContact N-O 2.78Å; I86-V100 PolarHBondContact O-N 3.5Å; I86-I114 HydrophobicContact CD1-CD1 4.31Å; I86-I114 HydrophobicContact CG1-CD1 3.78Å; I86-I114 HydrophobicContact CG1-CG2 4.42Å; I86-L117 HydrophobicContact CD1-CD2 4.48Å; I86-L117 HydrophobicContact CG1-CD2 4.41Å; I86-L117 HydrophobicContact CG2-CD2 3.77Å; I86-I124 HydrophobicContact CD1-CG2 4.19Å; I86-I124 HydrophobicContact CG2-CD1 4.18Å; I86-F126 HydrophobicContact CD1-CB 3.99Å; I86-F126 HydrophobicContact CD1-CD1 3.45Å; I86-F126 VanDerWaalsContact CD1-CD1 3.45Å; I86-F126 HydrophobicContact CD1-CD2 4.1Å; I86-F126 HydrophobicContact CD1-CE1 3.82Å; I86-F126 HydrophobicContact CD1-CE2 4.39Å; I86-F126 HydrophobicContact CD1-CG 3.59Å; I86-F126 HydrophobicContact CD1-CZ 4.25Å |
| 87 | Y | 94.3 | Very high | 89.4 | Confident | 19 Ų | 19 | 32 Ų | 32 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.3 | -177.3 | -64.6 | -96.4 | 0 | 0 | 0 | 111.6 | F52 F53 L78 V79 D81 L84 V96 K97 Q98 | F52-Y87 HydrophobicContact CE1-CD1 4.11Å; F52-Y87 AromaticContact CE1-CG 3.92Å; F52-Y87 HydrophobicContact CE1-CG 3.92Å; F53-Y87 AromaticContact CE1-CE1 3.85Å; F53-Y87 HydrophobicContact CE1-CE1 3.85Å; F53-Y87 HydrophobicContact CE1-CE2 4.09Å; F53-Y87 AromaticContact CE1-CZ 3.57Å; F53-Y87 HydrophobicContact CE2-CE2 4.27Å; F53-Y87 HydrophobicContact CZ-CD1 4.14Å; F53-Y87 AromaticContact CZ-CD2 3.78Å; F53-Y87 HydrophobicContact CZ-CD2 3.78Å; F53-Y87 AromaticContact CZ-CE1 3.75Å; F53-Y87 HydrophobicContact CZ-CE1 3.75Å; F53-Y87 AromaticContact CZ-CE2 3.38Å; F53-Y87 HydrophobicContact CZ-CE2 3.38Å; F53-Y87 HydrophobicContact CZ-CG 4.15Å; F53-Y87 AromaticContact CZ-CZ 3.35Å; L78-Y87 CarbonylContact C-O 3.5Å; L78-Y87 VanDerWaalsContact CA-O 3.3Å; L78-Y87 WeakPolarHBondContact CA-O 3.4Å; V79-Y87 PolarHBondContact N-O 3.02Å; V79-Y87 PolarHBondContact O-N 3.49Å; D81-Y87 HydrophobicContact CB-CD2 4.48Å; D81-Y87 HydrophobicContact CB-CE2 4.21Å; L84-Y87 HydrophobicContact CB-CE2 3.9Å; L84-Y87 VanDerWaalsContact CB-OH 3.26Å; L84-Y87 WeakPolarHBondContact CB-OH 3.38Å; L84-Y87 PolarHBondContact O-OH 3.03Å; Y87-V96 HydrophobicContact CD1-CG1 3.7Å; Y87-V96 HydrophobicContact CE1-CG1 4.37Å; Y87-K97 CarbonylContact C-O 3.36Å; Y87-K97 VanDerWaalsContact CA-O 3.31Å; Y87-K97 WeakPolarHBondContact CA-O 3.26Å; Y87-Q98 HydrophobicContact CD1-CB 3.91Å; Y87-Q98 HydrophobicContact CD1-CG 4.21Å; Y87-Q98 HydrophobicContact CE1-CB 3.61Å; Y87-Q98 HydrophobicContact CE1-CG 3.71Å; Y87-Q98 HydrophobicContact CE2-CG 4.5Å; Y87-Q98 PolarHBondContact OH-NE2 3.48Å |
| 88 | D | 93.5 | Very high | 89.5 | Confident | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.2 | 163.6 | 170.1 | 17.9 | 0 | 0 | 0 | 108.8 | R76 L78 K97 L99 | R76-D88 WeakPolarHBondContact CG-OD1 3.34Å; R76-D88 IonicContact CZ-OD1 3.58Å; R76-D88 IonicContact CZ-OD2 3.35Å; R76-D88 IonicContact NE-OD1 2.77Å; R76-D88 PolarHBondContact NE-OD1 2.81Å; R76-D88 IonicContact NE-OD2 3.41Å; R76-D88 PolarHBondContact NE-OD2 3.08Å; R76-D88 IonicContact NH2-OD1 3.38Å; R76-D88 IonicContact NH2-OD2 3.87Å; R76-D88 PolarHBondContact NH2-OD2 2.98Å; L78-D88 HydrophobicContact CD2-CB 4.3Å; D88-K97 HydrophobicContact CB-CB 4.38Å; D88-K97 PolarHBondContact N-O 3.29Å; D88-K97 PolarHBondContact O-N 2.8Å; D88-L99 HydrophobicContact CB-CD1 3.99Å; D88-L99 HydrophobicContact CB-CD2 4.19Å; D88-L99 HydrophobicContact CB-CG 4.04Å |
| 89 | V | 89.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.4 | -171.2 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | L36 F52 R76 I77 V79 F91 | L36-V89 HydrophobicContact CD2-CG1 3.98Å; L36-V89 HydrophobicContact CD2-CG2 4.36Å; F52-V89 HydrophobicContact CD2-CG1 4.25Å; F52-V89 HydrophobicContact CE1-CG2 3.59Å; F52-V89 HydrophobicContact CE2-CB 3.83Å; F52-V89 HydrophobicContact CE2-CG1 3.16Å; F52-V89 HydrophobicContact CE2-CG2 3.51Å; F52-V89 HydrophobicContact CZ-CB 3.63Å; F52-V89 HydrophobicContact CZ-CG1 3.51Å; F52-V89 HydrophobicContact CZ-CG2 2.95Å; R76-V89 CarbonylContact C-O 2.94Å; R76-V89 WeakPolarHBondContact CA-O 3.01Å; R76-V89 WeakPolarHBondContact CG-O 3.33Å; I77-V89 HydrophobicContact CG1-CB 3.82Å; I77-V89 HydrophobicContact CG1-CG1 4.43Å; I77-V89 HydrophobicContact CG1-CG2 4.09Å; I77-V89 PolarHBondContact N-O 3.42Å; I77-V89 WeakPolarHBondContact O-CB 3.45Å; I77-V89 WeakPolarHBondContact O-CG2 3.39Å; I77-V89 PolarHBondContact O-N 3.1Å; V79-V89 HydrophobicContact CB-CG2 4.19Å; V79-V89 HydrophobicContact CG2-CG2 3.47Å; V79-V89 VanDerWaalsContact CG2-CG2 3.47Å; V89-F91 HydrophobicContact CB-CE2 4.36Å; V89-F91 HydrophobicContact CG1-CD2 3.89Å; V89-F91 HydrophobicContact CG1-CE2 3.48Å; V89-F91 VanDerWaalsContact CG1-CE2 3.48Å; V89-F91 HydrophobicContact CG1-CZ 4.04Å |
| 90 | D | 88.4 | Confident | 89.8 | Confident | 26 Ų | 26 | 37.1 Ų | 37.1 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 111.9 | 177 | -169.7 | -26 | 0 | 0 | 0 | 110.4 | R76 N92 T93 N94 T95 | R76-D90 HydrophobicContact CG-CB 4.11Å; D90-N92 VanDerWaalsContact C-N 3.34Å; D90-N92 WeakPolarHBondContact OD1-CA 3.32Å; D90-N92 WeakPolarHBondContact OD1-CB 3.2Å; D90-N92 PolarHBondContact OD1-N 3.11Å; D90-N92 PolarHBondContact OD1-ND2 3.44Å; D90-T93 WeakPolarHBondContact CB-OG1 3.45Å; D90-T93 VanDerWaalsContact CG-OG1 3.26Å; D90-T93 PolarHBondContact OD1-N 3.02Å; D90-N94 CarbonylContact O-C 3.47Å; D90-N94 WeakPolarHBondContact O-CA 3.49Å; D90-N94 PolarHBondContact O-N 3.12Å; D90-T95 PolarHBondContact N-O 3.24Å; D90-T95 PolarHBondContact O-N 3.33Å |
| 91 | F | 81.1 | Confident | 89.8 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -4.7 | 177.4 | -68.2 | -100.2 | 0 | 0 | 0 | 113.5 | F28 L36 I50 R75 I77 V89 | F28-F91 HydrophobicContact CD1-CD2 4.16Å; F28-F91 HydrophobicContact CD1-CE1 4.06Å; F28-F91 AromaticContact CD1-CE2 3.47Å; F28-F91 HydrophobicContact CD1-CE2 3.47Å; F28-F91 VanDerWaalsContact CD1-CE2 3.47Å; F28-F91 AromaticContact CD1-CZ 3.41Å; F28-F91 HydrophobicContact CD1-CZ 3.41Å; F28-F91 VanDerWaalsContact CD1-CZ 3.41Å; F28-F91 AromaticContact CE1-CD1 3.94Å; F28-F91 HydrophobicContact CE1-CD1 3.94Å; F28-F91 AromaticContact CE1-CD2 3.44Å; F28-F91 HydrophobicContact CE1-CD2 3.44Å; F28-F91 VanDerWaalsContact CE1-CD2 3.44Å; F28-F91 AromaticContact CE1-CE1 3.77Å; F28-F91 HydrophobicContact CE1-CE1 3.77Å; F28-F91 AromaticContact CE1-CE2 3.24Å; F28-F91 HydrophobicContact CE1-CE2 3.24Å; F28-F91 AromaticContact CE1-CG 3.79Å; F28-F91 HydrophobicContact CE1-CG 3.79Å; F28-F91 AromaticContact CE1-CZ 3.42Å; F28-F91 HydrophobicContact CE1-CZ 3.42Å; F28-F91 VanDerWaalsContact CE1-CZ 3.42Å; F28-F91 HydrophobicContact CG-CE2 4.45Å; F28-F91 AromaticContact CZ-CD2 3.95Å; F28-F91 HydrophobicContact CZ-CD2 3.95Å; F28-F91 HydrophobicContact CZ-CE2 4.07Å; F28-F91 HydrophobicContact CZ-CG 4.37Å; L36-F91 HydrophobicContact CD2-CE2 3.96Å; L36-F91 HydrophobicContact CD2-CZ 3.5Å; L36-F91 HydrophobicContact CG-CZ 4.02Å; I50-F91 HydrophobicContact CB-CD1 4.46Å; I50-F91 HydrophobicContact CB-CE1 3.91Å; I50-F91 HydrophobicContact CB-CZ 4.49Å; I50-F91 HydrophobicContact CD1-CB 4.28Å; I50-F91 HydrophobicContact CD1-CD1 3.17Å; I50-F91 HydrophobicContact CD1-CD2 4.37Å; I50-F91 HydrophobicContact CD1-CE1 3.46Å; I50-F91 VanDerWaalsContact CD1-CE1 3.46Å; I50-F91 HydrophobicContact CD1-CG 3.69Å; I50-F91 HydrophobicContact CD1-CZ 4.18Å; I50-F91 HydrophobicContact CG1-CD1 3.59Å; I50-F91 HydrophobicContact CG1-CE1 3.52Å; I50-F91 HydrophobicContact CG1-CZ 4.44Å; R75-F91 HydrophobicContact CB-CB 4.16Å; R75-F91 PolarHBondContact NH2-O 2.88Å; R75-F91 VanDerWaalsContact O-CB 3.27Å; R75-F91 WeakPolarHBondContact O-CB 3.22Å; R75-F91 WeakPolarHBondContact O-CD2 3.44Å; R75-F91 PolarHBondContact O-N 3.29Å; I77-F91 HydrophobicContact CD1-CE2 4.01Å; I77-F91 HydrophobicContact CG1-CE2 4.04Å; V89-F91 HydrophobicContact CB-CE2 4.36Å; V89-F91 HydrophobicContact CG1-CD2 3.89Å; V89-F91 HydrophobicContact CG1-CE2 3.48Å; V89-F91 VanDerWaalsContact CG1-CE2 3.48Å; V89-F91 HydrophobicContact CG1-CZ 4.04Å |
| 92 | N | 84.1 | Confident | 89.7 | Confident | 93 Ų | 93 | 40.6 Ų | 40.6 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -44 | 170 | -58 | -53.7 | 0 | 0 | 0 | 110.1 | E74 R75 D90 | E74-N92 PolarHBondContact O-ND2 3.24Å; E74-N92 VanDerWaalsContact O-ND2 3.14Å; R75-N92 WeakPolarHBondContact CB-OD1 3.43Å; R75-N92 WeakPolarHBondContact CD-OD1 3.3Å; R75-N92 PolarHBondContact NE-OD1 3.49Å; D90-N92 VanDerWaalsContact C-N 3.34Å; D90-N92 WeakPolarHBondContact OD1-CA 3.32Å; D90-N92 WeakPolarHBondContact OD1-CB 3.2Å; D90-N92 PolarHBondContact OD1-N 3.11Å; D90-N92 PolarHBondContact OD1-ND2 3.44Å |
| 93 | T | 87.6 | Confident | 89.8 | Confident | 82 Ų | 82 | 42 Ų | 42 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -9.8 | -179.1 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | D90 T95 | D90-T93 WeakPolarHBondContact CB-OG1 3.45Å; D90-T93 VanDerWaalsContact CG-OG1 3.26Å; D90-T93 PolarHBondContact OD1-N 3.02Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.34Å; T93-T95 PolarHBondContact OG1-N 2.97Å; T93-T95 PolarHBondContact OG1-OG1 3.24Å |
| 94 | N | 80.2 | Confident | 90.2 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 58% | 0.578 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 38.3 | -169.7 | -63.6 | -51 | 0 | 0 | 0 | 113 | D90 | D90-N94 CarbonylContact O-C 3.47Å; D90-N94 WeakPolarHBondContact O-CA 3.49Å; D90-N94 PolarHBondContact O-N 3.12Å |
| 95 | T | 85.9 | Confident | 90.5 | Very high | 75 Ų | 75 | 48.2 Ų | 48.2 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 147.7 | 178.5 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | D90 T93 | D90-T95 PolarHBondContact N-O 3.24Å; D90-T95 PolarHBondContact O-N 3.33Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.34Å; T93-T95 PolarHBondContact OG1-N 2.97Å; T93-T95 PolarHBondContact OG1-OG1 3.24Å |
| 96 | V | 87.3 | Confident | 90.5 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | I50 F52 Y87 | I50-V96 HydrophobicContact CG2-CG2 4.4Å; F52-V96 HydrophobicContact CD1-CG1 4.19Å; F52-V96 HydrophobicContact CD2-CG2 4.21Å; F52-V96 HydrophobicContact CE1-CB 4.23Å; F52-V96 HydrophobicContact CE1-CG1 3.26Å; F52-V96 HydrophobicContact CE1-CG2 4.04Å; F52-V96 HydrophobicContact CE2-CB 4.32Å; F52-V96 HydrophobicContact CE2-CG1 4.2Å; F52-V96 HydrophobicContact CE2-CG2 3.32Å; F52-V96 HydrophobicContact CZ-CB 3.7Å; F52-V96 HydrophobicContact CZ-CG1 3.22Å; F52-V96 HydrophobicContact CZ-CG2 3.19Å; Y87-V96 HydrophobicContact CD1-CG1 3.7Å; Y87-V96 HydrophobicContact CE1-CG1 4.37Å |
| 97 | K | 92.1 | Very high | 90.2 | Very high | 130 Ų | 130 | 55.2 Ų | 55.2 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.4 | 175.8 | -177.3 | -174.6 | 175.6 | -167.4 | 0 | 109.1 | Y87 D88 L99 | Y87-K97 CarbonylContact C-O 3.36Å; Y87-K97 VanDerWaalsContact CA-O 3.31Å; Y87-K97 WeakPolarHBondContact CA-O 3.26Å; D88-K97 HydrophobicContact CB-CB 4.38Å; D88-K97 PolarHBondContact N-O 3.29Å; D88-K97 PolarHBondContact O-N 2.8Å; K97-L99 HydrophobicContact CD-CD2 3.93Å; K97-L99 HydrophobicContact CG-CD2 4.23Å |
| 98 | Q | 93.2 | Very high | 90 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.8 | 168.8 | -167.8 | 175.7 | 41.9 | 0 | 0 | 108.5 | L84 Y87 S101 | L84-Q98 PolarHBondContact O-NE2 2.92Å; Y87-Q98 HydrophobicContact CD1-CB 3.91Å; Y87-Q98 HydrophobicContact CD1-CG 4.21Å; Y87-Q98 HydrophobicContact CE1-CB 3.61Å; Y87-Q98 HydrophobicContact CE1-CG 3.71Å; Y87-Q98 HydrophobicContact CE2-CG 4.5Å; Y87-Q98 PolarHBondContact OH-NE2 3.48Å; Q98-S101 PolarHBondContact NE2-OG 3.42Å |
| 99 | L | 97 | Very high | 89.7 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -50 | 176.7 | -61.8 | -176.7 | 0 | 0 | 0 | 110.5 | L78 I86 D88 K97 I124 Y149 M151 | L78-L99 HydrophobicContact CD2-CD1 3.73Å; I86-L99 HydrophobicContact CG2-CD1 4.47Å; I86-L99 PolarHBondContact O-N 3.1Å; D88-L99 HydrophobicContact CB-CD1 3.99Å; D88-L99 HydrophobicContact CB-CD2 4.19Å; D88-L99 HydrophobicContact CB-CG 4.04Å; K97-L99 HydrophobicContact CD-CD2 3.93Å; K97-L99 HydrophobicContact CG-CD2 4.23Å; L99-I124 HydrophobicContact CD1-CD1 3.61Å; L99-Y149 HydrophobicContact CB-CE1 3.77Å; L99-Y149 HydrophobicContact CD1-CE1 4.38Å; L99-Y149 PolarHBondContact O-OH 3.17Å; L99-M151 HydrophobicContact CD1-SD 4.09Å |
| 100 | V | 97.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.2 | 177.1 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | G85 I86 I111 Y149 L156 | G85-V100 CarbonylContact C-O 3.55Å; G85-V100 VanDerWaalsContact CA-O 3.23Å; G85-V100 WeakPolarHBondContact CA-O 3.4Å; I86-V100 HydrophobicContact CB-CB 4.01Å; I86-V100 HydrophobicContact CB-CG2 4.31Å; I86-V100 HydrophobicContact CD1-CB 4.35Å; I86-V100 HydrophobicContact CD1-CG2 4.2Å; I86-V100 HydrophobicContact CG1-CB 4.21Å; I86-V100 PolarHBondContact N-O 2.78Å; I86-V100 PolarHBondContact O-N 3.5Å; V100-I111 HydrophobicContact CG1-CD1 4.05Å; V100-Y149 HydrophobicContact CG2-CD1 3.89Å; V100-Y149 HydrophobicContact CG2-CD2 3.69Å; V100-Y149 HydrophobicContact CG2-CE1 4.21Å; V100-Y149 HydrophobicContact CG2-CE2 4.02Å; V100-Y149 HydrophobicContact CG2-CG 3.58Å; V100-L156 HydrophobicContact CG1-CD1 4.09Å; V100-L156 HydrophobicContact CG1-CD2 4.27Å; V100-L156 HydrophobicContact CG2-CD2 4.05Å |
| 101 | S | 94 | Very high | 89.8 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 137.3 | 176.1 | -154.8 | 0 | 0 | 0 | 0 | 111.9 | Q98 G103 T104 | Q98-S101 PolarHBondContact NE2-OG 3.42Å; S101-G103 PolarHBondContact O-N 3.42Å; S101-T104 WeakPolarHBondContact O-CB 3.41Å; S101-T104 PolarHBondContact O-N 3.25Å; S101-T104 PolarHBondContact O-OG1 2.91Å |
| 102 | G | 89.7 | Confident | 90 | Very high | 24 Ų | 24 | 62.6 Ų | 62.6 | 25% | 0.247 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 131.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y83 L84 | Y83-G102 WeakPolarHBondContact O-CA 3.49Å; L84-G102 PolarHBondContact O-N 2.8Å |
| 103 | G | 89.6 | Confident | 90.3 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -9.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S101 E105 P110 I111 | S101-G103 PolarHBondContact O-N 3.42Å; G103-E105 PolarHBondContact O-N 3.36Å; G103-P110 WeakPolarHBondContact O-CB 3.05Å; G103-I111 WeakPolarHBondContact CA-O 3.4Å; G103-I111 PolarHBondContact N-O 3.32Å |
| 104 | T | 93.5 | Very high | 90.5 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | trans | -51.2 | 129 | 171.9 | -65.4 | 0 | 0 | 0 | 0 | 110.1 | S101 P110 I111 L156 | S101-T104 WeakPolarHBondContact O-CB 3.41Å; S101-T104 PolarHBondContact O-N 3.25Å; S101-T104 PolarHBondContact O-OG1 2.91Å; T104-P110 CarbonylContact O-C 3.58Å; T104-P110 WeakPolarHBondContact O-CA 3.27Å; T104-I111 WeakPolarHBondContact O-CG1 3.43Å; T104-I111 PolarHBondContact O-N 3.3Å; T104-L156 HydrophobicContact CG2-CD1 3.73Å | ||
| 105 | E | 92.5 | Very high | 91.1 | Very high | 133 Ų | 133 | 49.7 Ų | 49.7 | 62% | 0.621 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.1 | 179.8 | -65.5 | -163.4 | 164 | 0 | 0 | 111.1 | G103 P110 | G103-E105 PolarHBondContact O-N 3.36Å; E105-P110 HydrophobicContact CG-CB 4.47Å |
| 106 | V | 92.8 | Very high | 91.7 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 123.1 | 168.6 | -177 | 0 | 0 | 0 | 0 | 106.8 | G108 K109 I111 R145 M147 L156 V158 | V106-G108 VanDerWaalsContact C-N 3.26Å; V106-G108 PolarHBondContact O-N 3.46Å; V106-K109 PolarHBondContact N-O 2.91Å; V106-K109 PolarHBondContact O-N 2.83Å; V106-K109 VanDerWaalsContact O-N 3.12Å; V106-I111 HydrophobicContact CG2-CD1 3.88Å; V106-I111 HydrophobicContact CG2-CG1 4.32Å; V106-R145 PolarHBondContact O-NH1 2.95Å; V106-M147 HydrophobicContact CB-CE 3.94Å; V106-M147 HydrophobicContact CG1-CE 3.91Å; V106-M147 HydrophobicContact CG2-CE 3.82Å; V106-L156 HydrophobicContact CG2-CB 3.78Å; V106-L156 HydrophobicContact CG2-CD1 4.02Å; V106-L156 HydrophobicContact CG2-CG 4.46Å; V106-V158 HydrophobicContact CG1-CG2 3.93Å |
| 107 | D | 91 | Very high | 92.2 | Very high | 134 Ų | 134 | 43.1 Ų | 43.1 | 72% | 0.717 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 40.3 | -171.4 | -54.7 | -32.8 | 0 | 0 | 0 | 113.1 | K109 V158 | D107-K109 PolarHBondContact O-N 2.59Å; D107-V158 WeakPolarHBondContact OD2-CG2 3.41Å |
| 108 | G | 89.2 | Confident | 92.5 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 51% | 0.505 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 19.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | V106 | V106-G108 VanDerWaalsContact C-N 3.26Å; V106-G108 PolarHBondContact O-N 3.46Å |
| 109 | K | 87.7 | Confident | 92.7 | Very high | 69 Ų | 69 | 34.6 Ų | 34.6 | 30% | 0.3 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.9 | 176.5 | -56.9 | -61.2 | 173.4 | -159.7 | 0 | 110.4 | V106 D107 Y143 R145 | V106-K109 PolarHBondContact N-O 2.91Å; V106-K109 PolarHBondContact O-N 2.83Å; V106-K109 VanDerWaalsContact O-N 3.12Å; D107-K109 PolarHBondContact O-N 2.59Å; K109-Y143 HydrophobicContact CD-CD1 4.25Å; K109-Y143 HydrophobicContact CD-CD2 4.38Å; K109-Y143 HydrophobicContact CD-CE1 4.49Å; K109-Y143 HydrophobicContact CD-CG 4.19Å; K109-Y143 HydrophobicContact CG-CD1 4.38Å; K109-Y143 HydrophobicContact CG-CG 4.43Å; K109-R145 PolarHBondContact O-NH2 3.07Å |
| 110 | P | 89.7 | Confident | 92.7 | Very high | 28 Ų | 28 | 34.3 Ų | 34.3 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 138.5 | 178.5 | 27.8 | -34.6 | 0 | 0 | 0 | 110.6 | G103 T104 E105 R112 H128 | G103-P110 WeakPolarHBondContact O-CB 3.05Å; T104-P110 CarbonylContact O-C 3.58Å; T104-P110 WeakPolarHBondContact O-CA 3.27Å; E105-P110 HydrophobicContact CG-CB 4.47Å; P110-R112 HydrophobicContact CB-CG 4.42Å; P110-R112 PolarHBondContact O-N 2.99Å; P110-H128 PolarHBondContact O-CE1 3.23Å |
| 111 | I | 89.9 | Confident | 92.5 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | trans | -72 | 119.3 | 169.3 | -63.2 | 166.9 | 0 | 0 | 0 | 108.2 | V100 G103 T104 V106 I114 F126 M147 L156 | V100-I111 HydrophobicContact CG1-CD1 4.05Å; G103-I111 WeakPolarHBondContact CA-O 3.4Å; G103-I111 PolarHBondContact N-O 3.32Å; T104-I111 WeakPolarHBondContact O-CG1 3.43Å; T104-I111 PolarHBondContact O-N 3.3Å; V106-I111 HydrophobicContact CG2-CD1 3.88Å; V106-I111 HydrophobicContact CG2-CG1 4.32Å; I111-I114 HydrophobicContact CG2-CD1 3.65Å; I111-I114 HydrophobicContact CG2-CG1 3.62Å; I111-F126 HydrophobicContact CD1-CE2 4.45Å; I111-F126 HydrophobicContact CD1-CZ 4.11Å; I111-F126 HydrophobicContact CG2-CE2 4.09Å; I111-M147 HydrophobicContact CD1-CE 4.21Å; I111-M147 HydrophobicContact CG1-CE 4.45Å; I111-L156 HydrophobicContact CD1-CD1 3.91Å; I111-L156 HydrophobicContact CD1-CD2 4.21Å | ||
| 112 | R | 86.8 | Confident | 92.6 | Very high | 72 Ų | 72 | 43 Ų | 43 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | trans | -140.5 | 159.7 | 174.9 | -62.7 | -177.3 | 178.9 | -176.1 | -0.1 | 108.1 | P110 I114 H128 S130 T131 W133 | P110-R112 HydrophobicContact CB-CG 4.42Å; P110-R112 PolarHBondContact O-N 2.99Å; R112-I114 PolarHBondContact O-N 2.63Å; R112-H128 PolarHBondContact N-NE2 3.07Å; R112-H128 PolarHBondContact O-CD2 2.99Å; R112-H128 PolarHBondContact O-NE2 3.08Å; R112-S130 CarbonylContact C-O 3.57Å; R112-S130 VanDerWaalsContact C-O 3.32Å; R112-T131 WeakPolarHBondContact CD-O 3.47Å; R112-W133 HydrophobicContact CB-CE3 4.1Å; R112-W133 HydrophobicContact CB-CH2 4.4Å; R112-W133 HydrophobicContact CB-CZ3 3.82Å; R112-W133 VanDerWaalsContact CD-CH2 3.44Å; R112-W133 HydrophobicContact CG-CE3 4.18Å; R112-W133 HydrophobicContact CG-CH2 3.65Å; R112-W133 HydrophobicContact CG-CZ2 4.25Å; R112-W133 HydrophobicContact CG-CZ3 3.58Å; R112-W133 VanDerWaalsContact NE-CZ2 3.27Å | ||
| 113 | F | 88.6 | Confident | 93 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | trans | 52.1 | 56.7 | 177.1 | -143 | -77.1 | 0 | 0 | 0 | 113 | L67 A82 S129 S130 L135 F165 | L67-F113 HydrophobicContact CD1-CE1 4.01Å; L67-F113 HydrophobicContact CD1-CZ 4.39Å; A82-F113 WeakPolarHBondContact O-CA 3.49Å; A82-F113 PolarHBondContact O-N 3.12Å; F113-S129 PolarHBondContact O-N 2.65Å; F113-S130 WeakPolarHBondContact CB-O 3.46Å; F113-L135 HydrophobicContact CE1-CD2 3.88Å; F113-L135 HydrophobicContact CE2-CG 4.46Å; F113-L135 HydrophobicContact CZ-CD2 3.52Å; F113-L135 HydrophobicContact CZ-CG 3.8Å; F113-F165 HydrophobicContact CE1-CE2 4.31Å; F113-F165 HydrophobicContact CE1-CZ 4.15Å | ||
| 114 | I | 93.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 130.9 | 169 | -51.8 | -177.3 | 0 | 0 | 0 | 108 | A80 A82 I86 I111 R112 F126 T127 | A80-I114 HydrophobicContact CB-CG2 3.71Å; A82-I114 VanDerWaalsContact CA-O 3.23Å; A82-I114 WeakPolarHBondContact CA-O 3.36Å; A82-I114 PolarHBondContact N-O 2.92Å; A82-I114 PolarHBondContact O-N 3.24Å; I86-I114 HydrophobicContact CD1-CD1 4.31Å; I86-I114 HydrophobicContact CG1-CD1 3.78Å; I86-I114 HydrophobicContact CG1-CG2 4.42Å; I111-I114 HydrophobicContact CG2-CD1 3.65Å; I111-I114 HydrophobicContact CG2-CG1 3.62Å; R112-I114 PolarHBondContact O-N 2.63Å; I114-F126 HydrophobicContact CD1-CD2 4.27Å; I114-F126 HydrophobicContact CD1-CE2 4.12Å; I114-F126 HydrophobicContact CG1-CD2 4.33Å; I114-F126 HydrophobicContact CG1-CE2 4.36Å; I114-F126 HydrophobicContact CG2-CB 4.21Å; I114-F126 HydrophobicContact CG2-CD2 3.83Å; I114-F126 HydrophobicContact CG2-CG 4.38Å; I114-T127 WeakPolarHBondContact CA-O 3.49Å |
| 115 | N | 93 | Very high | 93.7 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -57.1 | -170.4 | -150.7 | -34.4 | 0 | 0 | 0 | 112.4 | L67 G68 T127 S129 N167 | L67-N115 CarbonylContact C-O 3.54Å; L67-N115 WeakPolarHBondContact CB-O 3.3Å; L67-N115 HydrophobicContact CD1-CB 4.37Å; G68-N115 WeakPolarHBondContact CA-O 3.41Å; G68-N115 PolarHBondContact N-O 3.44Å; N115-T127 WeakPolarHBondContact CB-OG1 3.28Å; N115-T127 PolarHBondContact N-O 2.74Å; N115-T127 VanDerWaalsContact N-O 3.12Å; N115-S129 VanDerWaalsContact CB-OG 3.25Å; N115-S129 WeakPolarHBondContact CB-OG 3.31Å; N115-S129 PolarHBondContact ND2-OG 3.46Å; N115-N167 PolarHBondContact ND2-OD1 2.98Å; N115-N167 PolarHBondContact OD1-OD1 2.84Å |
| 116 | D | 97 | Very high | 94 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 159.8 | 178.1 | -162.5 | 26 | 0 | 0 | 0 | 110.1 | R70 F126 T127 N167 G168 V169 R216 | R70-D116 IonicContact CZ-OD1 2.7Å; R70-D116 IonicContact NH1-OD1 3.25Å; R70-D116 PolarHBondContact NH1-OD1 2.88Å; R70-D116 IonicContact NH1-OD2 3.34Å; R70-D116 IonicContact NH2-OD1 3.67Å; R70-D116 IonicContact NH2-OD2 3.09Å; D116-F126 VanDerWaalsContact O-CA 3.29Å; D116-F126 WeakPolarHBondContact O-CA 3.26Å; D116-F126 WeakPolarHBondContact O-CB 3.32Å; D116-T127 PolarHBondContact N-OG1 3.38Å; D116-T127 PolarHBondContact O-N 3.25Å; D116-T127 PolarHBondContact O-OG1 3.44Å; D116-N167 VanDerWaalsContact CB-O 3.24Å; D116-N167 WeakPolarHBondContact CB-O 3.15Å; D116-G168 WeakPolarHBondContact OD2-CA 3.38Å; D116-V169 HydrophobicContact CB-CG1 4.36Å; D116-V169 PolarHBondContact OD2-N 2.8Å; D116-V169 VanDerWaalsContact OD2-O 3.1Å; D116-R216 IonicContact OD1-CZ 3.69Å; D116-R216 IonicContact OD1-NH1 3.01Å; D116-R216 IonicContact OD1-NH2 2.82Å; D116-R216 PolarHBondContact OD1-NH2 2.88Å; D116-R216 IonicContact OD2-CZ 2.67Å; D116-R216 IonicContact OD2-NH1 3.97Å; D116-R216 PolarHBondContact OD2-NH1 3.06Å; D116-R216 IonicContact OD2-NH2 3.03Å; D116-R216 PolarHBondContact OD2-NH2 2.93Å |
| 117 | L | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.4 | 174.8 | 60.9 | 79.5 | 0 | 0 | 0 | 110.3 | R70 L78 A80 I86 I124 F125 F126 | R70-L117 HydrophobicContact CB-CD1 3.73Å; R70-L117 HydrophobicContact CG-CD1 3.65Å; R70-L117 VanDerWaalsContact CG-O 3.28Å; R70-L117 WeakPolarHBondContact CG-O 3.41Å; R70-L117 PolarHBondContact NH1-O 2.78Å; R70-L117 PolarHBondContact NH2-O 2.88Å; L78-L117 HydrophobicContact CB-CD1 3.61Å; L78-L117 HydrophobicContact CB-CD2 4.02Å; L78-L117 HydrophobicContact CD1-CD1 4.08Å; A80-L117 HydrophobicContact CB-CD2 3.75Å; A80-L117 HydrophobicContact CB-CG 4.1Å; I86-L117 HydrophobicContact CD1-CD2 4.48Å; I86-L117 HydrophobicContact CG1-CD2 4.41Å; I86-L117 HydrophobicContact CG2-CD2 3.77Å; L117-I124 HydrophobicContact CB-CG2 3.99Å; L117-I124 HydrophobicContact CD2-CG2 4.37Å; L117-F125 CarbonylContact C-O 3.52Å; L117-F125 WeakPolarHBondContact CA-O 3.47Å; L117-F126 HydrophobicContact CB-CB 3.86Å |
| 118 | D | 98.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 26.5 Ų | 26.5 | 6% | 0.064 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 167.2 | 161 | -139.9 | -15.5 | 0 | 0 | 0 | 110.3 | R70 I124 F125 V169 Q170 A171 | R70-D118 WeakPolarHBondContact CD-OD1 3.25Å; R70-D118 WeakPolarHBondContact CG-OD1 3.17Å; R70-D118 IonicContact CZ-OD1 3.72Å; R70-D118 IonicContact CZ-OD2 2.8Å; R70-D118 VanDerWaalsContact NE-CG 3.35Å; R70-D118 IonicContact NE-OD1 3.17Å; R70-D118 PolarHBondContact NE-OD1 3.49Å; R70-D118 VanDerWaalsContact NE-OD1 3.09Å; R70-D118 IonicContact NE-OD2 3.94Å; R70-D118 PolarHBondContact NE-OD2 3.23Å; R70-D118 IonicContact NH2-OD2 3.51Å; R70-D118 PolarHBondContact NH2-OD2 3.43Å; D118-I124 CarbonylContact O-C 3.48Å; D118-I124 WeakPolarHBondContact O-CA 3.47Å; D118-F125 PolarHBondContact N-O 2.86Å; D118-F125 PolarHBondContact O-N 2.76Å; D118-F125 VanDerWaalsContact O-O 3.12Å; D118-V169 HydrophobicContact CB-CG1 4.42Å; D118-Q170 VanDerWaalsContact OD2-CA 3.24Å; D118-Q170 WeakPolarHBondContact OD2-CA 3.3Å; D118-Q170 VanDerWaalsContact OD2-CD 3.3Å; D118-Q170 PolarHBondContact OD2-NE2 2.99Å; D118-A171 PolarHBondContact OD2-N 2.82Å |
| 119 | I | 97.4 | Very high | 94.2 | Very high | 24 Ų | 24 | 24.2 Ų | 24.2 | 12% | 0.123 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.7 | -179.6 | -175.5 | 169.2 | 0 | 0 | 0 | 109.9 | L72 L78 E121 T123 I124 M151 | L72-I119 HydrophobicContact CD1-CD1 3.53Å; L78-I119 HydrophobicContact CD1-CB 4.11Å; L78-I119 HydrophobicContact CD1-CD1 4.04Å; L78-I119 HydrophobicContact CD1-CG2 4.37Å; I119-E121 WeakPolarHBondContact CD1-O 3.42Å; I119-E121 WeakPolarHBondContact CG1-O 3.46Å; I119-T123 WeakPolarHBondContact CA-O 3.42Å; I119-I124 HydrophobicContact CD1-CG1 4.36Å; I119-I124 HydrophobicContact CG1-CG1 4.49Å; I119-M151 HydrophobicContact CD1-CE 3.42Å; I119-M151 VanDerWaalsContact CD1-CE 3.42Å; I119-M151 HydrophobicContact CD1-SD 4.48Å |
| 120 | V | 97.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 20.9 Ų | 20.9 | 9% | 0.085 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 123.3 | 168.5 | 172.2 | 0 | 0 | 0 | 0 | 106.5 | D122 T123 F125 A171 E175 L178 L193 | V120-D122 PolarHBondContact O-N 3.27Å; V120-T123 PolarHBondContact N-O 3.17Å; V120-T123 PolarHBondContact O-N 2.8Å; V120-F125 HydrophobicContact CB-CE2 4.08Å; V120-F125 HydrophobicContact CG2-CD2 4.49Å; V120-F125 HydrophobicContact CG2-CE2 4.37Å; V120-A171 HydrophobicContact CG2-CB 3.62Å; V120-E175 HydrophobicContact CG1-CB 3.81Å; V120-E175 HydrophobicContact CG1-CG 4.37Å; V120-E175 HydrophobicContact CG2-CB 4.22Å; V120-E175 HydrophobicContact CG2-CG 4.32Å; V120-L178 HydrophobicContact CG2-CD2 4.39Å; V120-L193 HydrophobicContact CB-CD1 4.28Å; V120-L193 HydrophobicContact CG1-CD1 4.16Å; V120-L193 HydrophobicContact CG2-CD1 3.84Å |
| 121 | E | 94 | Very high | 91.9 | Very high | 160 Ų | 160 | 20.3 Ų | 20.3 | 75% | 0.748 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | -121.8 | -169.7 | -57.8 | 177.2 | 166.2 | 0 | 0 | 110.7 | I119 | I119-E121 WeakPolarHBondContact CD1-O 3.42Å; I119-E121 WeakPolarHBondContact CG1-O 3.46Å |
| 122 | D | 95.1 | Very high | 90.4 | Very high | 77 Ų | 77 | 25 Ų | 25 | 41% | 0.412 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 12 | 177.4 | -67.2 | -62.3 | 0 | 0 | 0 | 113.7 | V120 M151 E152 | V120-D122 PolarHBondContact O-N 3.27Å; D122-M151 HydrophobicContact CB-CE 4.22Å; D122-M151 WeakPolarHBondContact O-CB 3.29Å; D122-M151 WeakPolarHBondContact O-CG 3.18Å; D122-M151 PolarHBondContact O-N 3.02Å; D122-E152 HydrophobicContact CB-CG 4.02Å |
| 123 | T | 98.1 | Very high | 88.7 | Confident | 31 Ų | 31 | 26.6 Ų | 26.6 | 19% | 0.19 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.2 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | I119 V120 F125 A148 Y149 | I119-T123 WeakPolarHBondContact CA-O 3.42Å; V120-T123 PolarHBondContact N-O 3.17Å; V120-T123 PolarHBondContact O-N 2.8Å; T123-F125 HydrophobicContact CG2-CD2 4.18Å; T123-F125 HydrophobicContact CG2-CE1 4.05Å; T123-F125 HydrophobicContact CG2-CE2 3.63Å; T123-F125 HydrophobicContact CG2-CZ 3.57Å; T123-A148 HydrophobicContact CG2-CB 3.86Å; T123-Y149 CarbonylContact C-O 3.57Å; T123-Y149 WeakPolarHBondContact CA-O 3.5Å |
| 124 | I | 98.6 | Very high | 87 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 116.6 | 171.5 | -55.8 | 178 | 0 | 0 | 0 | 109.2 | L78 I86 L99 L117 D118 I119 F126 A148 Y149 M151 | L78-I124 HydrophobicContact CD1-CD1 3.64Å; L78-I124 HydrophobicContact CD1-CG1 3.83Å; L78-I124 HydrophobicContact CD2-CD1 3.7Å; L78-I124 HydrophobicContact CG-CD1 4.29Å; I86-I124 HydrophobicContact CD1-CG2 4.19Å; I86-I124 HydrophobicContact CG2-CD1 4.18Å; L99-I124 HydrophobicContact CD1-CD1 3.61Å; L117-I124 HydrophobicContact CB-CG2 3.99Å; L117-I124 HydrophobicContact CD2-CG2 4.37Å; D118-I124 CarbonylContact O-C 3.48Å; D118-I124 WeakPolarHBondContact O-CA 3.47Å; I119-I124 HydrophobicContact CD1-CG1 4.36Å; I119-I124 HydrophobicContact CG1-CG1 4.49Å; I124-F126 HydrophobicContact CG2-CD1 4.49Å; I124-A148 CarbonylContact O-C 3.56Å; I124-A148 WeakPolarHBondContact O-CA 3.02Å; I124-Y149 HydrophobicContact CD1-CD1 4.11Å; I124-Y149 HydrophobicContact CG1-CD1 4.47Å; I124-Y149 PolarHBondContact N-O 2.85Å; I124-Y149 PolarHBondContact O-N 2.04Å; I124-M151 HydrophobicContact CD1-CG 4.06Å; I124-M151 HydrophobicContact CD1-SD 3.76Å; I124-M151 HydrophobicContact CG1-CG 4.14Å; I124-M151 HydrophobicContact CG1-SD 4.03Å |
| 125 | F | 98.7 | Very high | 84.9 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.035 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.6 | 169.1 | -65.1 | -82.1 | 0 | 0 | 0 | 109.8 | L117 D118 V120 T123 M147 A148 V159 V169 L178 L193 L195 | L117-F125 CarbonylContact C-O 3.52Å; L117-F125 WeakPolarHBondContact CA-O 3.47Å; D118-F125 PolarHBondContact N-O 2.86Å; D118-F125 PolarHBondContact O-N 2.76Å; D118-F125 VanDerWaalsContact O-O 3.12Å; V120-F125 HydrophobicContact CB-CE2 4.08Å; V120-F125 HydrophobicContact CG2-CD2 4.49Å; V120-F125 HydrophobicContact CG2-CE2 4.37Å; T123-F125 HydrophobicContact CG2-CD2 4.18Å; T123-F125 HydrophobicContact CG2-CE1 4.05Å; T123-F125 HydrophobicContact CG2-CE2 3.63Å; T123-F125 HydrophobicContact CG2-CZ 3.57Å; F125-M147 CarbonylContact C-O 3.45Å; F125-M147 VanDerWaalsContact CA-O 3.31Å; F125-M147 WeakPolarHBondContact CA-O 3.37Å; F125-A148 HydrophobicContact CD1-CB 3.81Å; F125-A148 HydrophobicContact CE1-CB 3.66Å; F125-A148 HydrophobicContact CZ-CB 4.5Å; F125-V159 HydrophobicContact CD1-CG2 4.16Å; F125-V159 HydrophobicContact CE1-CG2 4.11Å; F125-V169 HydrophobicContact CB-CG2 4.4Å; F125-L178 HydrophobicContact CB-CD1 4.05Å; F125-L178 HydrophobicContact CB-CD2 4.38Å; F125-L178 HydrophobicContact CD1-CD1 3.39Å; F125-L178 HydrophobicContact CD2-CD1 3.9Å; F125-L178 HydrophobicContact CD2-CD2 3.95Å; F125-L178 HydrophobicContact CE1-CD1 3.71Å; F125-L178 HydrophobicContact CE2-CD1 4.19Å; F125-L178 HydrophobicContact CE2-CD2 4.49Å; F125-L178 HydrophobicContact CG-CD1 3.47Å; F125-L178 VanDerWaalsContact CG-CD1 3.47Å; F125-L178 HydrophobicContact CG-CD2 4.12Å; F125-L178 HydrophobicContact CG-CG 4.46Å; F125-L178 HydrophobicContact CZ-CD1 4.1Å; F125-L193 HydrophobicContact CE1-CD2 4.31Å; F125-L193 HydrophobicContact CE2-CD1 4.39Å; F125-L193 HydrophobicContact CE2-CD2 4.31Å; F125-L193 HydrophobicContact CZ-CD2 3.75Å; F125-L195 HydrophobicContact CE1-CD1 3.91Å; F125-L195 HydrophobicContact CE1-CG 4.42Å; F125-L195 HydrophobicContact CZ-CD1 4.43Å |
| 126 | F | 98.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 149.8 | -178.1 | 64.9 | -87.6 | 0 | 0 | 0 | 113.3 | I86 I111 I114 D116 L117 I124 M147 L156 | I86-F126 HydrophobicContact CD1-CB 3.99Å; I86-F126 HydrophobicContact CD1-CD1 3.45Å; I86-F126 VanDerWaalsContact CD1-CD1 3.45Å; I86-F126 HydrophobicContact CD1-CD2 4.1Å; I86-F126 HydrophobicContact CD1-CE1 3.82Å; I86-F126 HydrophobicContact CD1-CE2 4.39Å; I86-F126 HydrophobicContact CD1-CG 3.59Å; I86-F126 HydrophobicContact CD1-CZ 4.25Å; I111-F126 HydrophobicContact CD1-CE2 4.45Å; I111-F126 HydrophobicContact CD1-CZ 4.11Å; I111-F126 HydrophobicContact CG2-CE2 4.09Å; I114-F126 HydrophobicContact CD1-CD2 4.27Å; I114-F126 HydrophobicContact CD1-CE2 4.12Å; I114-F126 HydrophobicContact CG1-CD2 4.33Å; I114-F126 HydrophobicContact CG1-CE2 4.36Å; I114-F126 HydrophobicContact CG2-CB 4.21Å; I114-F126 HydrophobicContact CG2-CD2 3.83Å; I114-F126 HydrophobicContact CG2-CG 4.38Å; D116-F126 VanDerWaalsContact O-CA 3.29Å; D116-F126 WeakPolarHBondContact O-CA 3.26Å; D116-F126 WeakPolarHBondContact O-CB 3.32Å; L117-F126 HydrophobicContact CB-CB 3.86Å; I124-F126 HydrophobicContact CG2-CD1 4.49Å; F126-M147 HydrophobicContact CD1-CB 3.8Å; F126-M147 HydrophobicContact CD2-CB 3.81Å; F126-M147 HydrophobicContact CD2-CG 4.08Å; F126-M147 HydrophobicContact CE1-CB 3.39Å; F126-M147 HydrophobicContact CE1-CG 4.34Å; F126-M147 HydrophobicContact CE2-CB 3.43Å; F126-M147 VanDerWaalsContact CE2-CB 3.43Å; F126-M147 HydrophobicContact CE2-CG 3.51Å; F126-M147 HydrophobicContact CG-CB 4.01Å; F126-M147 HydrophobicContact CZ-CB 3.21Å; F126-M147 HydrophobicContact CZ-CE 4.4Å; F126-M147 HydrophobicContact CZ-CG 3.67Å; F126-M147 PolarHBondContact N-O 3Å; F126-M147 PolarHBondContact O-N 3.49Å; F126-L156 HydrophobicContact CE1-CD2 3.86Å; F126-L156 HydrophobicContact CZ-CD2 3.82Å |
| 127 | T | 97 | Very high | 80.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.9 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | I114 N115 D116 P166 N167 V169 V180 | I114-T127 WeakPolarHBondContact CA-O 3.49Å; N115-T127 WeakPolarHBondContact CB-OG1 3.28Å; N115-T127 PolarHBondContact N-O 2.74Å; N115-T127 VanDerWaalsContact N-O 3.12Å; D116-T127 PolarHBondContact N-OG1 3.38Å; D116-T127 PolarHBondContact O-N 3.25Å; D116-T127 PolarHBondContact O-OG1 3.44Å; T127-P166 HydrophobicContact CG2-CB 4.09Å; T127-N167 WeakPolarHBondContact CB-O 3.45Å; T127-N167 WeakPolarHBondContact CG2-O 3.24Å; T127-N167 PolarHBondContact OG1-O 3.01Å; T127-V169 HydrophobicContact CG2-CB 3.94Å; T127-V169 HydrophobicContact CG2-CG1 4.15Å; T127-V180 HydrophobicContact CG2-CG1 4.28Å |
| 128 | H | 93.4 | Very high | 78.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 96.1 | 172.1 | 171 | -176.6 | 0 | 0 | 0 | 107.3 | P110 R112 S130 R144 R145 M147 | P110-H128 PolarHBondContact O-CE1 3.23Å; R112-H128 PolarHBondContact N-NE2 3.07Å; R112-H128 PolarHBondContact O-CD2 2.99Å; R112-H128 PolarHBondContact O-NE2 3.08Å; H128-S130 PolarHBondContact CD2-O 2.95Å; H128-S130 PolarHBondContact NE2-O 3.21Å; H128-R144 CarbonylContact O-C 3.57Å; H128-R144 VanDerWaalsContact O-CA 3.28Å; H128-R144 WeakPolarHBondContact O-CA 3.43Å; H128-R144 WeakPolarHBondContact O-CB 3.49Å; H128-R145 HydrophobicContact CB-CB 4.29Å; H128-R145 PolarHBondContact CE1-NH2 2.68Å; H128-R145 VanDerWaalsContact CE1-NH2 3.27Å; H128-R145 PolarHBondContact N-O 3.17Å; H128-R145 PolarHBondContact ND1-NE 3.23Å; H128-R145 PolarHBondContact ND1-NH2 2.8Å; H128-R145 PolarHBondContact O-N 3.1Å; H128-M147 HydrophobicContact CB-CG 4.12Å |
| 129 | S | 87.6 | Confident | 76 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -79.9 | -22.5 | -168.2 | -42.7 | 0 | 0 | 0 | 0 | 114.4 | F113 N115 R144 F165 P166 | F113-S129 PolarHBondContact O-N 2.65Å; N115-S129 VanDerWaalsContact CB-OG 3.25Å; N115-S129 WeakPolarHBondContact CB-OG 3.31Å; N115-S129 PolarHBondContact ND2-OG 3.46Å; S129-R144 WeakPolarHBondContact O-CD 3.4Å; S129-R144 WeakPolarHBondContact O-CG 3.41Å; S129-R144 PolarHBondContact O-NE 3.17Å; S129-F165 VanDerWaalsContact CB-CE2 3.42Å; S129-P166 VanDerWaalsContact CB-O 3.3Å; S129-P166 WeakPolarHBondContact CB-O 3.41Å; S129-P166 PolarHBondContact OG-O 2.8Å | ||
| 130 | S | 72.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -162.5 | 140.8 | -176.6 | -175.1 | 0 | 0 | 0 | 0 | 112.8 | R112 F113 H128 R132 | R112-S130 CarbonylContact C-O 3.57Å; R112-S130 VanDerWaalsContact C-O 3.32Å; F113-S130 WeakPolarHBondContact CB-O 3.46Å; H128-S130 PolarHBondContact CD2-O 2.95Å; H128-S130 PolarHBondContact NE2-O 3.21Å; S130-R132 WeakPolarHBondContact CB-O 3.42Å; S130-R132 PolarHBondContact O-N 3.15Å; S130-R132 PolarHBondContact OG-N 3.02Å; S130-R132 VanDerWaalsContact OG-N 3.1Å; S130-R132 PolarHBondContact OG-O 2.78Å | ||
| 131 | T | 57.8 | Low | 71.6 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -77.8 | 2.4 | 169.7 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | R112 Y143 | R112-T131 WeakPolarHBondContact CD-O 3.47Å; T131-Y143 HydrophobicContact CG2-CD2 4.26Å; T131-Y143 HydrophobicContact CG2-CG 4.39Å |
| 132 | R | 57.3 | Low | 69.9 | Low | 98 Ų | 98 | 45.1 Ų | 45.1 | 37% | 0.37 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -133.6 | 157.3 | 177 | -72.7 | -169.5 | 173.3 | -172.7 | -1.2 | 111.3 | S130 D134 D137 Y140 | S130-R132 WeakPolarHBondContact CB-O 3.42Å; S130-R132 PolarHBondContact O-N 3.15Å; S130-R132 PolarHBondContact OG-N 3.02Å; S130-R132 VanDerWaalsContact OG-N 3.1Å; S130-R132 PolarHBondContact OG-O 2.78Å; R132-D134 PolarHBondContact O-N 2.79Å; R132-D137 VanDerWaalsContact CD-OD2 3.26Å; R132-D137 WeakPolarHBondContact CD-OD2 3.5Å; R132-D137 IonicContact NH1-OD2 3.17Å; R132-D137 PolarHBondContact NH1-OD2 2.9Å; R132-Y140 PolarHBondContact NH2-OH 3.06Å |
| 133 | W | 52.3 | Low | 68.8 | Low | 107 Ų | 107 | 45.5 Ų | 45.5 | 41% | 0.405 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -73 | 20.9 | -164.6 | -46.6 | 119.5 | 0 | 0 | 0 | 116.3 | Y83 R112 | Y83-W133 AromaticContact CD1-CE3 3.53Å; Y83-W133 HydrophobicContact CD1-CE3 3.53Å; Y83-W133 AromaticContact CD1-CZ3 3.9Å; Y83-W133 HydrophobicContact CD1-CZ3 3.9Å; Y83-W133 HydrophobicContact CE1-CB 4.3Å; Y83-W133 HydrophobicContact CE1-CE3 4.07Å; R112-W133 HydrophobicContact CB-CE3 4.1Å; R112-W133 HydrophobicContact CB-CH2 4.4Å; R112-W133 HydrophobicContact CB-CZ3 3.82Å; R112-W133 VanDerWaalsContact CD-CH2 3.44Å; R112-W133 HydrophobicContact CG-CE3 4.18Å; R112-W133 HydrophobicContact CG-CH2 3.65Å; R112-W133 HydrophobicContact CG-CZ2 4.25Å; R112-W133 HydrophobicContact CG-CZ3 3.58Å; R112-W133 VanDerWaalsContact NE-CZ2 3.27Å |
| 134 | D | 52.4 | Low | 68.3 | Low | 28 Ų | 28 | 44.5 Ų | 44.5 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | trans | -150.8 | 131.8 | -165.1 | 175.9 | 15 | 0 | 0 | 0 | 112.2 | R132 F136 R250 | R132-D134 PolarHBondContact O-N 2.79Å; D134-F136 VanDerWaalsContact CG-N 3.34Å; D134-F136 PolarHBondContact O-N 3.31Å; D134-F136 WeakPolarHBondContact OD1-CB 3.42Å; D134-F136 WeakPolarHBondContact OD1-CD2 3.25Å; D134-F136 PolarHBondContact OD1-N 3.36Å; D134-R250 IonicContact OD2-CZ 3.52Å; D134-R250 IonicContact OD2-NE 2.71Å; D134-R250 IonicContact OD2-NH1 3.6Å; D134-R250 PolarHBondContact OD2-NH1 3.46Å; D134-R250 IonicContact OD2-NH2 3.4Å; D134-R250 PolarHBondContact OD2-NH2 3.39Å | ||
| 135 | L | 48.1 | Very low | 68.1 | Low | 72 Ų | 72 | 45 Ų | 45 | 38% | 0.377 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -28.6 | 170.4 | -69.3 | 170.5 | 0 | 0 | 0 | 113 | F113 F165 | F113-L135 HydrophobicContact CE1-CD2 3.88Å; F113-L135 HydrophobicContact CE2-CG 4.46Å; F113-L135 HydrophobicContact CZ-CD2 3.52Å; F113-L135 HydrophobicContact CZ-CG 3.8Å; L135-F165 HydrophobicContact CD2-CE1 3.91Å; L135-F165 HydrophobicContact CD2-CE2 3.96Å; L135-F165 HydrophobicContact CD2-CZ 3.19Å |
| 136 | F | 49.9 | Very low | 68 | Low | 56 Ų | 56 | 44.6 Ų | 44.6 | 25% | 0.246 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 1.2 | -164.1 | -49.9 | -64.7 | 0 | 0 | 0 | 113.9 | D134 L138 V254 M257 | D134-F136 VanDerWaalsContact CG-N 3.34Å; D134-F136 PolarHBondContact O-N 3.31Å; D134-F136 WeakPolarHBondContact OD1-CB 3.42Å; D134-F136 WeakPolarHBondContact OD1-CD2 3.25Å; D134-F136 PolarHBondContact OD1-N 3.36Å; F136-L138 PolarHBondContact O-N 3.3Å; F136-L138 VanDerWaalsContact O-N 3.1Å; F136-V254 HydrophobicContact CD2-CG2 3.95Å; F136-V254 HydrophobicContact CE2-CG2 4.34Å; F136-V254 HydrophobicContact CG-CG2 4.29Å; F136-M257 HydrophobicContact CD1-CE 4.13Å; F136-M257 HydrophobicContact CD1-SD 3.63Å; F136-M257 HydrophobicContact CE1-CE 4.08Å; F136-M257 HydrophobicContact CE1-SD 3.93Å |
| 137 | D | 53.2 | Low | 68 | Low | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | trans | -84.1 | 85.5 | 174.9 | -157.5 | -5.9 | 0 | 0 | 0 | 111.3 | R132 S139 R250 | R132-D137 VanDerWaalsContact CD-OD2 3.26Å; R132-D137 WeakPolarHBondContact CD-OD2 3.5Å; R132-D137 IonicContact NH1-OD2 3.17Å; R132-D137 PolarHBondContact NH1-OD2 2.9Å; D137-S139 PolarHBondContact O-N 3.17Å; D137-S139 WeakPolarHBondContact OD1-CB 3.32Å; D137-S139 PolarHBondContact OD1-N 3.32Å; D137-S139 PolarHBondContact OD1-OG 3.27Å; D137-R250 IonicContact OD2-NH2 3.99Å | ||
| 138 | L | 50 | Low | 68 | Low | 44 Ų | 44 | 44.7 Ų | 44.7 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -64.2 | -14.9 | 174.2 | -71 | 175.8 | 0 | 0 | 0 | 113.5 | F136 Y140 L141 W238 K242 L245 | F136-L138 PolarHBondContact O-N 3.3Å; F136-L138 VanDerWaalsContact O-N 3.1Å; L138-Y140 PolarHBondContact O-N 3.41Å; L138-L141 HydrophobicContact CD2-CD2 4.24Å; L138-L141 WeakPolarHBondContact O-CG 3.28Å; L138-W238 HydrophobicContact CD1-CH2 4Å; L138-W238 HydrophobicContact CD1-CZ2 3.35Å; L138-W238 HydrophobicContact CD2-CZ2 3.96Å; L138-W238 HydrophobicContact CG-CZ2 3.82Å; L138-K242 HydrophobicContact CD1-CB 4.45Å; L138-L245 HydrophobicContact CD1-CB 4.43Å |
| 139 | S | 47.3 | Very low | 68.2 | Low | 69 Ų | 69 | 45.2 Ų | 45.2 | 48% | 0.483 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -71.5 | -17.2 | -173.9 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | D137 | D137-S139 PolarHBondContact O-N 3.17Å; D137-S139 WeakPolarHBondContact OD1-CB 3.32Å; D137-S139 PolarHBondContact OD1-N 3.32Å; D137-S139 PolarHBondContact OD1-OG 3.27Å |
| 140 | Y | 48.9 | Very low | 68.7 | Low | 93 Ų | 93 | 47.4 Ų | 47.4 | 37% | 0.365 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -124.7 | 53.1 | 177.3 | -74.5 | -95.1 | 0 | 0 | 0 | 112.4 | R132 L138 R142 | R132-Y140 PolarHBondContact NH2-OH 3.06Å; L138-Y140 PolarHBondContact O-N 3.41Å; Y140-R142 PolarHBondContact O-N 3.42Å |
| 141 | L | 53.9 | Low | 69.9 | Low | 53 Ų | 53 | 49.8 Ų | 49.8 | 28% | 0.277 | 23% | 0.225 | S | C | . | . | trans | -58.7 | -5.4 | 166.1 | -68 | 170.9 | 0 | 0 | 0 | 113.7 | L138 | L138-L141 HydrophobicContact CD2-CD2 4.24Å; L138-L141 WeakPolarHBondContact O-CG 3.28Å | ||
| 142 | R | 57.9 | Low | 71.7 | Confident | 174 Ų | 174 | 56.3 Ų | 56.3 | 66% | 0.657 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -89.6 | 149.1 | -178.7 | -64 | -177.9 | 172.3 | -169.5 | -2.9 | 110.5 | Y140 | Y140-R142 PolarHBondContact O-N 3.42Š|
| 143 | Y | 70.9 | Confident | 73.6 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 33% | 0.329 | 26% | 0.264 | S | S | . | . | trans | 74.2 | 25.9 | 174.4 | -35.9 | -68.1 | 0 | 0 | 0 | 117.2 | K109 T131 | K109-Y143 HydrophobicContact CD-CD1 4.25Å; K109-Y143 HydrophobicContact CD-CD2 4.38Å; K109-Y143 HydrophobicContact CD-CE1 4.49Å; K109-Y143 HydrophobicContact CD-CG 4.19Å; K109-Y143 HydrophobicContact CG-CD1 4.38Å; K109-Y143 HydrophobicContact CG-CG 4.43Å; T131-Y143 HydrophobicContact CG2-CD2 4.26Å; T131-Y143 HydrophobicContact CG2-CG 4.39Å | ||
| 144 | R | 87.7 | Confident | 75.7 | Confident | 11 Ų | 11 | 56 Ų | 56 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | trans | -87.7 | 134.1 | 171 | -41.6 | 174.8 | 164.5 | -176.4 | -13.4 | 108.8 | H128 S129 D161 N162 L163 F165 P166 | H128-R144 CarbonylContact O-C 3.57Å; H128-R144 VanDerWaalsContact O-CA 3.28Å; H128-R144 WeakPolarHBondContact O-CA 3.43Å; H128-R144 WeakPolarHBondContact O-CB 3.49Å; S129-R144 WeakPolarHBondContact O-CD 3.4Å; S129-R144 WeakPolarHBondContact O-CG 3.41Å; S129-R144 PolarHBondContact O-NE 3.17Å; R144-D161 CarbonylContact O-C 3.54Å; R144-N162 PolarHBondContact O-N 3.02Å; R144-L163 HydrophobicContact CB-CB 4.43Å; R144-L163 VanDerWaalsContact CB-O 3.3Å; R144-L163 WeakPolarHBondContact CB-O 3.26Å; R144-L163 WeakPolarHBondContact CD-O 3.09Å; R144-L163 PolarHBondContact O-N 3.03Å; R144-F165 VanDerWaalsContact NH1-CB 3.29Å; R144-P166 HydrophobicContact CB-CG 4Å | ||
| 145 | R | 94.3 | Very high | 77.8 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 153.5 | -160.9 | -63.2 | 178.7 | -73.2 | -179.5 | 2 | 111.7 | V106 K109 H128 M147 V158 L160 D161 | V106-R145 PolarHBondContact O-NH1 2.95Å; K109-R145 PolarHBondContact O-NH2 3.07Å; H128-R145 HydrophobicContact CB-CB 4.29Å; H128-R145 PolarHBondContact CE1-NH2 2.68Å; H128-R145 VanDerWaalsContact CE1-NH2 3.27Å; H128-R145 PolarHBondContact N-O 3.17Å; H128-R145 PolarHBondContact ND1-NE 3.23Å; H128-R145 PolarHBondContact ND1-NH2 2.8Å; H128-R145 PolarHBondContact O-N 3.1Å; R145-M147 HydrophobicContact CB-CG 4.11Å; R145-M147 HydrophobicContact CB-SD 3.71Å; R145-M147 HydrophobicContact CG-SD 4.3Å; R145-M147 PolarHBondContact NE-SD 2.9Å; R145-V158 HydrophobicContact CB-CG1 4.33Å; R145-V158 HydrophobicContact CG-CG1 4.05Å; R145-L160 CarbonylContact C-O 3.59Å; R145-L160 WeakPolarHBondContact CA-O 3.46Å; R145-L160 WeakPolarHBondContact CB-O 3.23Å; R145-D161 HydrophobicContact CG-CB 4.42Å |
| 146 | L | 97.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.5 | 150.9 | 179.4 | 71.9 | 0 | 0 | 0 | 106.2 | V159 L160 L163 V169 L178 V180 V191 | L146-V159 HydrophobicContact CB-CB 4.32Å; L146-V159 HydrophobicContact CD2-CB 3.91Å; L146-V159 HydrophobicContact CD2-CG1 3.77Å; L146-V159 HydrophobicContact CG-CB 4.05Å; L146-V159 HydrophobicContact CG-CG1 4.47Å; L146-V159 HydrophobicContact CG-CG2 4.5Å; L146-V159 WeakPolarHBondContact O-CB 3.48Å; L146-V159 PolarHBondContact O-N 2.74Å; L146-L160 HydrophobicContact CB-CB 4.02Å; L146-L160 HydrophobicContact CB-CG 4.4Å; L146-L160 HydrophobicContact CD2-CD1 4.43Å; L146-L160 HydrophobicContact CD2-CG 4.39Å; L146-L160 PolarHBondContact N-O 2.84Å; L146-L160 PolarHBondContact O-N 3.34Å; L146-L163 HydrophobicContact CB-CD1 4.14Å; L146-V169 HydrophobicContact CD1-CB 4.38Å; L146-V169 HydrophobicContact CD1-CG2 3.99Å; L146-L178 HydrophobicContact CD2-CD1 4.22Å; L146-V180 HydrophobicContact CD1-CG2 4.04Å; L146-V180 HydrophobicContact CD2-CG2 3.95Å; L146-V191 HydrophobicContact CD2-CG2 4.15Å |
| 147 | M | 97.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 156.5 | -178.6 | -58.7 | -69.5 | -60.8 | 0 | 0 | 109.6 | V106 I111 F125 F126 H128 R145 T157 V158 | V106-M147 HydrophobicContact CB-CE 3.94Å; V106-M147 HydrophobicContact CG1-CE 3.91Å; V106-M147 HydrophobicContact CG2-CE 3.82Å; I111-M147 HydrophobicContact CD1-CE 4.21Å; I111-M147 HydrophobicContact CG1-CE 4.45Å; F125-M147 CarbonylContact C-O 3.45Å; F125-M147 VanDerWaalsContact CA-O 3.31Å; F125-M147 WeakPolarHBondContact CA-O 3.37Å; F126-M147 HydrophobicContact CD1-CB 3.8Å; F126-M147 HydrophobicContact CD2-CB 3.81Å; F126-M147 HydrophobicContact CD2-CG 4.08Å; F126-M147 HydrophobicContact CE1-CB 3.39Å; F126-M147 HydrophobicContact CE1-CG 4.34Å; F126-M147 HydrophobicContact CE2-CB 3.43Å; F126-M147 VanDerWaalsContact CE2-CB 3.43Å; F126-M147 HydrophobicContact CE2-CG 3.51Å; F126-M147 HydrophobicContact CG-CB 4.01Å; F126-M147 HydrophobicContact CZ-CB 3.21Å; F126-M147 HydrophobicContact CZ-CE 4.4Å; F126-M147 HydrophobicContact CZ-CG 3.67Å; F126-M147 PolarHBondContact N-O 3Å; F126-M147 PolarHBondContact O-N 3.49Å; H128-M147 HydrophobicContact CB-CG 4.12Å; R145-M147 HydrophobicContact CB-CG 4.11Å; R145-M147 HydrophobicContact CB-SD 3.71Å; R145-M147 HydrophobicContact CG-SD 4.3Å; R145-M147 PolarHBondContact NE-SD 2.9Å; M147-T157 CarbonylContact C-O 3.49Å; M147-T157 WeakPolarHBondContact CA-O 3.25Å; M147-V158 HydrophobicContact CE-CG2 4.21Å; M147-V158 HydrophobicContact SD-CB 4.47Å; M147-V158 HydrophobicContact SD-CG2 3.88Å |
| 148 | A | 98 | Very high | 84.4 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T123 I124 F125 L156 T157 V159 | T123-A148 HydrophobicContact CG2-CB 3.86Å; I124-A148 CarbonylContact O-C 3.56Å; I124-A148 WeakPolarHBondContact O-CA 3.02Å; F125-A148 HydrophobicContact CD1-CB 3.81Å; F125-A148 HydrophobicContact CE1-CB 3.66Å; F125-A148 HydrophobicContact CZ-CB 4.5Å; A148-L156 WeakPolarHBondContact O-CA 3.41Å; A148-T157 PolarHBondContact N-O 3.35Å; A148-T157 PolarHBondContact O-N 2.86Å; A148-V159 HydrophobicContact CB-CG2 3.59Å |
| 149 | Y | 98.4 | Very high | 86.6 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 115.7 | 173.2 | 173.6 | -111.4 | 0 | 0 | 0 | 108.9 | L99 V100 T123 I124 M151 D154 N155 L156 | L99-Y149 HydrophobicContact CB-CE1 3.77Å; L99-Y149 HydrophobicContact CD1-CE1 4.38Å; L99-Y149 PolarHBondContact O-OH 3.17Å; V100-Y149 HydrophobicContact CG2-CD1 3.89Å; V100-Y149 HydrophobicContact CG2-CD2 3.69Å; V100-Y149 HydrophobicContact CG2-CE1 4.21Å; V100-Y149 HydrophobicContact CG2-CE2 4.02Å; V100-Y149 HydrophobicContact CG2-CG 3.58Å; T123-Y149 CarbonylContact C-O 3.57Å; T123-Y149 WeakPolarHBondContact CA-O 3.5Å; I124-Y149 HydrophobicContact CD1-CD1 4.11Å; I124-Y149 HydrophobicContact CG1-CD1 4.47Å; I124-Y149 PolarHBondContact N-O 2.85Å; I124-Y149 PolarHBondContact O-N 2.04Å; Y149-M151 HydrophobicContact CD1-CG 3.97Å; Y149-M151 HydrophobicContact CE1-CB 4.4Å; Y149-M151 HydrophobicContact CE1-CG 3.78Å; Y149-D154 WeakPolarHBondContact CE2-OD1 3.4Å; Y149-D154 VanDerWaalsContact CZ-OD1 3.27Å; Y149-D154 PolarHBondContact OH-OD1 3.21Å; Y149-N155 WeakPolarHBondContact CA-O 3.24Å; Y149-L156 HydrophobicContact CD2-CD2 3.84Å; Y149-L156 HydrophobicContact CD2-CG 3.88Å; Y149-L156 HydrophobicContact CG-CD2 4.22Å |
| 150 | D | 97.8 | Very high | 88.9 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 116.2 | 176.3 | -179.9 | -59.8 | 0 | 0 | 0 | 108.9 | E152 T153 D154 N155 | D150-E152 VanDerWaalsContact C-N 3.31Å; D150-E152 PolarHBondContact O-N 2.6Å; D150-E152 PolarHBondContact OD1-N 3.08Å; D150-E152 VanDerWaalsContact OD1-N 3.07Å; D150-T153 WeakPolarHBondContact CB-OG1 3.04Å; D150-T153 WeakPolarHBondContact OD1-CB 3.48Å; D150-T153 PolarHBondContact OD1-N 2.88Å; D150-T153 PolarHBondContact OD1-OG1 2.72Å; D150-D154 VanDerWaalsContact O-CA 3.32Å; D150-D154 WeakPolarHBondContact O-CA 3.37Å; D150-D154 PolarHBondContact O-N 3.31Å; D150-N155 HydrophobicContact CB-CB 4.49Å; D150-N155 PolarHBondContact N-O 2.79Å; D150-N155 PolarHBondContact O-N 3.49Å |
| 151 | M | 96.8 | Very high | 91 | Very high | 49 Ų | 49 | 54 Ų | 54 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -20 | -173.6 | -65.9 | -170.1 | -68 | 0 | 0 | 113.7 | L99 I119 D122 I124 Y149 | L99-M151 HydrophobicContact CD1-SD 4.09Å; I119-M151 HydrophobicContact CD1-CE 3.42Å; I119-M151 VanDerWaalsContact CD1-CE 3.42Å; I119-M151 HydrophobicContact CD1-SD 4.48Å; D122-M151 HydrophobicContact CB-CE 4.22Å; D122-M151 WeakPolarHBondContact O-CB 3.29Å; D122-M151 WeakPolarHBondContact O-CG 3.18Å; D122-M151 PolarHBondContact O-N 3.02Å; I124-M151 HydrophobicContact CD1-CG 4.06Å; I124-M151 HydrophobicContact CD1-SD 3.76Å; I124-M151 HydrophobicContact CG1-CG 4.14Å; I124-M151 HydrophobicContact CG1-SD 4.03Å; Y149-M151 HydrophobicContact CD1-CG 3.97Å; Y149-M151 HydrophobicContact CE1-CB 4.4Å; Y149-M151 HydrophobicContact CE1-CG 3.78Å |
| 152 | E | 96.2 | Very high | 92.7 | Very high | 153 Ų | 153 | 55.7 Ų | 55.7 | 72% | 0.715 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -42.4 | 178.3 | -64 | -161.7 | 137 | 0 | 0 | 111.3 | D122 D150 | D122-E152 HydrophobicContact CB-CG 4.02Å; D150-E152 VanDerWaalsContact C-N 3.31Å; D150-E152 PolarHBondContact O-N 2.6Å; D150-E152 PolarHBondContact OD1-N 3.08Å; D150-E152 VanDerWaalsContact OD1-N 3.07Å |
| 153 | T | 96.9 | Very high | 94.3 | Very high | 90 Ų | 90 | 47.9 Ų | 47.9 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -7.3 | -174.7 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | D150 N155 | D150-T153 WeakPolarHBondContact CB-OG1 3.04Å; D150-T153 WeakPolarHBondContact OD1-CB 3.48Å; D150-T153 PolarHBondContact OD1-N 2.88Å; D150-T153 PolarHBondContact OD1-OG1 2.72Å; T153-N155 PolarHBondContact O-N 3.08Å; T153-N155 WeakPolarHBondContact OG1-CB 3.11Å |
| 154 | D | 96 | Very high | 95 | Very high | 110 Ų | 110 | 47.1 Ų | 47.1 | 59% | 0.588 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 30.2 | -174.6 | -161.6 | 37.4 | 0 | 0 | 0 | 112.7 | Y149 D150 | Y149-D154 WeakPolarHBondContact CE2-OD1 3.4Å; Y149-D154 VanDerWaalsContact CZ-OD1 3.27Å; Y149-D154 PolarHBondContact OH-OD1 3.21Å; D150-D154 VanDerWaalsContact O-CA 3.32Å; D150-D154 WeakPolarHBondContact O-CA 3.37Å; D150-D154 PolarHBondContact O-N 3.31Å |
| 155 | N | 96.8 | Very high | 95 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.3 | -173 | -171.5 | 24 | 0 | 0 | 0 | 112.1 | Y149 D150 T153 | Y149-N155 WeakPolarHBondContact CA-O 3.24Å; D150-N155 HydrophobicContact CB-CB 4.49Å; D150-N155 PolarHBondContact N-O 2.79Å; D150-N155 PolarHBondContact O-N 3.49Å; T153-N155 PolarHBondContact O-N 3.08Å; T153-N155 WeakPolarHBondContact OG1-CB 3.11Å |
| 156 | L | 97.3 | Very high | 95 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.7 | 174.9 | -80.5 | 165 | 0 | 0 | 0 | 110.9 | V100 T104 V106 I111 F126 A148 Y149 | V100-L156 HydrophobicContact CG1-CD1 4.09Å; V100-L156 HydrophobicContact CG1-CD2 4.27Å; V100-L156 HydrophobicContact CG2-CD2 4.05Å; T104-L156 HydrophobicContact CG2-CD1 3.73Å; V106-L156 HydrophobicContact CG2-CB 3.78Å; V106-L156 HydrophobicContact CG2-CD1 4.02Å; V106-L156 HydrophobicContact CG2-CG 4.46Å; I111-L156 HydrophobicContact CD1-CD1 3.91Å; I111-L156 HydrophobicContact CD1-CD2 4.21Å; F126-L156 HydrophobicContact CE1-CD2 3.86Å; F126-L156 HydrophobicContact CZ-CD2 3.82Å; A148-L156 WeakPolarHBondContact O-CA 3.41Å; Y149-L156 HydrophobicContact CD2-CD2 3.84Å; Y149-L156 HydrophobicContact CD2-CG 3.88Å; Y149-L156 HydrophobicContact CG-CD2 4.22Å |
| 157 | T | 95.9 | Very high | 94.8 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.8 | 179.1 | 62 | 0 | 0 | 0 | 0 | 112.4 | M147 A148 | M147-T157 CarbonylContact C-O 3.49Å; M147-T157 WeakPolarHBondContact CA-O 3.25Å; A148-T157 PolarHBondContact N-O 3.35Å; A148-T157 PolarHBondContact O-N 2.86Å |
| 158 | V | 95.8 | Very high | 94.7 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 26% | 0.255 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118 | 171.7 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | V106 D107 R145 M147 D161 | V106-V158 HydrophobicContact CG1-CG2 3.93Å; D107-V158 WeakPolarHBondContact OD2-CG2 3.41Å; R145-V158 HydrophobicContact CB-CG1 4.33Å; R145-V158 HydrophobicContact CG-CG1 4.05Å; M147-V158 HydrophobicContact CE-CG2 4.21Å; M147-V158 HydrophobicContact SD-CB 4.47Å; M147-V158 HydrophobicContact SD-CG2 3.88Å; V158-D161 HydrophobicContact CG1-CB 4.09Å |
| 159 | V | 97.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -54.4 | 176.6 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | F125 L146 A148 V191 L195 P199 | F125-V159 HydrophobicContact CD1-CG2 4.16Å; F125-V159 HydrophobicContact CE1-CG2 4.11Å; L146-V159 HydrophobicContact CB-CB 4.32Å; L146-V159 HydrophobicContact CD2-CB 3.91Å; L146-V159 HydrophobicContact CD2-CG1 3.77Å; L146-V159 HydrophobicContact CG-CB 4.05Å; L146-V159 HydrophobicContact CG-CG1 4.47Å; L146-V159 HydrophobicContact CG-CG2 4.5Å; L146-V159 WeakPolarHBondContact O-CB 3.48Å; L146-V159 PolarHBondContact O-N 2.74Å; A148-V159 HydrophobicContact CB-CG2 3.59Å; V159-V191 HydrophobicContact CG1-CG1 4.22Å; V159-L195 HydrophobicContact CB-CD1 4.41Å; V159-L195 HydrophobicContact CG1-CD1 3.87Å; V159-L195 HydrophobicContact CG1-CD2 3.68Å; V159-L195 HydrophobicContact CG1-CG 4.46Å; V159-L195 HydrophobicContact CG2-CD1 3.76Å; V159-P199 HydrophobicContact CG1-CB 4.32Å; V159-P199 HydrophobicContact CG1-CG 3.75Å; V159-P199 WeakPolarHBondContact O-CG 3.23Å |
| 160 | L | 96.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.6 | 173.9 | -60.3 | -179.3 | 0 | 0 | 0 | 109.5 | R145 L146 L163 L189 V191 G201 | R145-L160 CarbonylContact C-O 3.59Å; R145-L160 WeakPolarHBondContact CA-O 3.46Å; R145-L160 WeakPolarHBondContact CB-O 3.23Å; L146-L160 HydrophobicContact CB-CB 4.02Å; L146-L160 HydrophobicContact CB-CG 4.4Å; L146-L160 HydrophobicContact CD2-CD1 4.43Å; L146-L160 HydrophobicContact CD2-CG 4.39Å; L146-L160 PolarHBondContact N-O 2.84Å; L146-L160 PolarHBondContact O-N 3.34Å; L160-L163 HydrophobicContact CB-CD1 4.18Å; L160-L163 HydrophobicContact CB-CD2 4.26Å; L160-L163 HydrophobicContact CB-CG 4.36Å; L160-L163 HydrophobicContact CD1-CD2 4.33Å; L160-L189 HydrophobicContact CD1-CD1 4.48Å; L160-V191 HydrophobicContact CD1-CG2 3.52Å; L160-V191 HydrophobicContact CG-CG2 4.12Å; L160-G201 VanDerWaalsContact CD2-N 3.34Å |
| 161 | D | 92.7 | Very high | 94.8 | Very high | 97 Ų | 97 | 45.9 Ų | 45.9 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | trans | -119.6 | 176.2 | 174.1 | 74.6 | -7.2 | 0 | 0 | 0 | 111.7 | R144 R145 V158 L163 | R144-D161 CarbonylContact O-C 3.54Å; R145-D161 HydrophobicContact CG-CB 4.42Å; V158-D161 HydrophobicContact CG1-CB 4.09Å; D161-L163 PolarHBondContact O-N 3.14Å; D161-L163 VanDerWaalsContact O-N 3.1Å | ||
| 162 | N | 88.4 | Confident | 94.8 | Very high | 90 Ų | 90 | 44.1 Ų | 44.1 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 53.8 | 33 | 176.7 | -59.2 | -57.9 | 0 | 0 | 0 | 114.7 | R144 | R144-N162 PolarHBondContact O-N 3.02Š|
| 163 | L | 91 | Very high | 94.7 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | trans | -75.5 | 160 | 173.2 | -58.1 | -178.7 | 0 | 0 | 0 | 110.9 | R144 L146 L160 D161 P166 V180 E182 L189 | R144-L163 HydrophobicContact CB-CB 4.43Å; R144-L163 VanDerWaalsContact CB-O 3.3Å; R144-L163 WeakPolarHBondContact CB-O 3.26Å; R144-L163 WeakPolarHBondContact CD-O 3.09Å; R144-L163 PolarHBondContact O-N 3.03Å; L146-L163 HydrophobicContact CB-CD1 4.14Å; L160-L163 HydrophobicContact CB-CD1 4.18Å; L160-L163 HydrophobicContact CB-CD2 4.26Å; L160-L163 HydrophobicContact CB-CG 4.36Å; L160-L163 HydrophobicContact CD1-CD2 4.33Å; D161-L163 PolarHBondContact O-N 3.14Å; D161-L163 VanDerWaalsContact O-N 3.1Å; L163-P166 HydrophobicContact CB-CB 4.11Å; L163-P166 HydrophobicContact CB-CG 3.85Å; L163-P166 HydrophobicContact CD1-CB 3.73Å; L163-P166 HydrophobicContact CD1-CG 3.97Å; L163-V180 HydrophobicContact CD1-CG1 4.46Å; L163-E182 WeakPolarHBondContact CA-OE1 3.49Å; L163-L189 HydrophobicContact CD2-CD1 3.7Å | ||
| 164 | H | 86.9 | Confident | 94.7 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -109.6 | 87.2 | -179.7 | -61.6 | 78.1 | 0 | 0 | 0 | 110.3 | E182 G184 M185 | H164-E182 HydrophobicContact CB-CG 3.85Å; H164-E182 WeakPolarHBondContact CB-OE1 3.19Å; H164-E182 IonicContact CG-OE1 3.5Å; H164-E182 PolarHBondContact N-OE1 3.5Å; H164-E182 IonicContact ND1-OE1 2.87Å; H164-E182 PolarHBondContact ND1-OE1 3.4Å; H164-E182 WeakPolarHBondContact O-CG 3.39Å; H164-G184 WeakPolarHBondContact O-CA 3.36Å; H164-G184 PolarHBondContact O-N 3.33Å; H164-M185 HydrophobicContact CB-CG 3.51Å; H164-M185 HydrophobicContact CB-SD 4.46Å; H164-M185 VanDerWaalsContact CG-CG 3.47Å |
| 165 | F | 87.3 | Confident | 94.7 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 11% | 0.114 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 57.3 | 60.4 | -178.3 | -152.8 | -117.1 | 0 | 0 | 0 | 111.2 | F113 S129 L135 R144 N167 T183 | F113-F165 HydrophobicContact CE1-CE2 4.31Å; F113-F165 HydrophobicContact CE1-CZ 4.15Å; S129-F165 VanDerWaalsContact CB-CE2 3.42Å; L135-F165 HydrophobicContact CD2-CE1 3.91Å; L135-F165 HydrophobicContact CD2-CE2 3.96Å; L135-F165 HydrophobicContact CD2-CZ 3.19Å; R144-F165 VanDerWaalsContact NH1-CB 3.29Å; F165-N167 PolarHBondContact O-N 2.71Å; F165-T183 HydrophobicContact CD1-CG2 3.94Å; F165-T183 WeakPolarHBondContact O-CB 3.44Å; F165-T183 PolarHBondContact O-N 3.35Å; F165-T183 VanDerWaalsContact O-N 3.11Å; F165-T183 PolarHBondContact O-OG1 3.06Å |
| 166 | P | 93.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 126.6 | 172.1 | 29.4 | -34.6 | 0 | 0 | 0 | 108.6 | T127 S129 R144 L163 V180 A181 | T127-P166 HydrophobicContact CG2-CB 4.09Å; S129-P166 VanDerWaalsContact CB-O 3.3Å; S129-P166 WeakPolarHBondContact CB-O 3.41Å; S129-P166 PolarHBondContact OG-O 2.8Å; R144-P166 HydrophobicContact CB-CG 4Å; L163-P166 HydrophobicContact CB-CB 4.11Å; L163-P166 HydrophobicContact CB-CG 3.85Å; L163-P166 HydrophobicContact CD1-CB 3.73Å; L163-P166 HydrophobicContact CD1-CG 3.97Å; P166-V180 HydrophobicContact CB-CG1 4.18Å; P166-A181 CarbonylContact C-O 3.54Å; P166-A181 VanDerWaalsContact CA-O 3.27Å; P166-A181 WeakPolarHBondContact CA-O 3.28Å |
| 167 | N | 93.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | -75.5 | -169 | -156.7 | -5.2 | 0 | 0 | 0 | 109.6 | N115 D116 T127 F165 A181 T183 D213 | N115-N167 PolarHBondContact ND2-OD1 2.98Å; N115-N167 PolarHBondContact OD1-OD1 2.84Å; D116-N167 VanDerWaalsContact CB-O 3.24Å; D116-N167 WeakPolarHBondContact CB-O 3.15Å; T127-N167 WeakPolarHBondContact CB-O 3.45Å; T127-N167 WeakPolarHBondContact CG2-O 3.24Å; T127-N167 PolarHBondContact OG1-O 3.01Å; F165-N167 PolarHBondContact O-N 2.71Å; N167-A181 PolarHBondContact N-O 2.84Å; N167-T183 WeakPolarHBondContact CB-OG1 3.31Å; N167-T183 PolarHBondContact ND2-OG1 2.76Å; N167-D213 PolarHBondContact ND2-OD1 3.05Å; N167-D213 PolarHBondContact OD1-OD1 3.34Å; N167-D213 VanDerWaalsContact OD1-OD1 3.08Å |
| 168 | G | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 151.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D116 V180 A181 | D116-G168 WeakPolarHBondContact OD2-CA 3.38Å; G168-V180 WeakPolarHBondContact O-CA 3.43Å; G168-A181 PolarHBondContact O-N 3.36Å |
| 169 | V | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.8 | 162.8 | 57.5 | 0 | 0 | 0 | 0 | 109.3 | R70 D116 D118 F125 T127 L146 L178 F179 V180 | R70-V169 PolarHBondContact NH2-O 2.86Å; D116-V169 HydrophobicContact CB-CG1 4.36Å; D116-V169 PolarHBondContact OD2-N 2.8Å; D116-V169 VanDerWaalsContact OD2-O 3.1Å; D118-V169 HydrophobicContact CB-CG1 4.42Å; F125-V169 HydrophobicContact CB-CG2 4.4Å; T127-V169 HydrophobicContact CG2-CB 3.94Å; T127-V169 HydrophobicContact CG2-CG1 4.15Å; L146-V169 HydrophobicContact CD1-CB 4.38Å; L146-V169 HydrophobicContact CD1-CG2 3.99Å; V169-L178 HydrophobicContact CG2-CD2 4.48Å; V169-F179 CarbonylContact C-O 3.58Å; V169-F179 VanDerWaalsContact CA-O 3.25Å; V169-F179 WeakPolarHBondContact CA-O 3.45Å; V169-V180 HydrophobicContact CG2-CG2 4.36Å |
| 170 | Q | 98.3 | Very high | 95 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 125.1 | 179.4 | 178.1 | 58.5 | 62.3 | 0 | 0 | 110.4 | D118 F179 I215 L217 L223 | D118-Q170 VanDerWaalsContact OD2-CA 3.24Å; D118-Q170 WeakPolarHBondContact OD2-CA 3.3Å; D118-Q170 VanDerWaalsContact OD2-CD 3.3Å; D118-Q170 PolarHBondContact OD2-NE2 2.99Å; Q170-F179 PolarHBondContact N-O 3.03Å; Q170-F179 PolarHBondContact O-N 3.09Å; Q170-I215 HydrophobicContact CB-CB 3.85Å; Q170-I215 HydrophobicContact CB-CG2 3.86Å; Q170-I215 HydrophobicContact CG-CG2 4.25Å; Q170-I215 PolarHBondContact OE1-O 2.91Å; Q170-L217 HydrophobicContact CG-CD2 4.28Å; Q170-L217 HydrophobicContact CG-CG 4.02Å; Q170-L223 HydrophobicContact CG-CD2 4.1Å |
| 171 | A | 97.9 | Very high | 95 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 146.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D118 V120 E177 L178 | D118-A171 PolarHBondContact OD2-N 2.82Å; V120-A171 HydrophobicContact CG2-CB 3.62Å; A171-E177 CarbonylContact C-O 3.58Å; A171-E177 WeakPolarHBondContact CA-O 3.39Å; A171-L178 HydrophobicContact CB-CD2 4.01Å |
| 172 | S | 96.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 34 Ų | 34 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | trans | -63.4 | 160.9 | 167.2 | 61.7 | 0 | 0 | 0 | 0 | 110 | D174 E175 D176 E177 | S172-D174 PolarHBondContact O-N 3.01Å; S172-E175 PolarHBondContact O-N 3.36Å; S172-E175 PolarHBondContact OG-N 2.78Å; S172-D176 PolarHBondContact OG-N 2.93Å; S172-D176 VanDerWaalsContact OG-N 3.16Å; S172-D176 PolarHBondContact OG-OD1 2.79Å; S172-E177 PolarHBondContact N-O 2.67Å; S172-E177 PolarHBondContact OG-N 2.96Å; S172-E177 PolarHBondContact OG-O 3.03Å | ||
| 173 | R | 95 | Very high | 95.2 | Very high | 168 Ų | 168 | 30.3 Ų | 30.3 | 63% | 0.634 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -37.5 | 177.5 | 171 | 173 | 177.9 | 175.1 | 7.6 | 112.8 | E175 L217 A221 | R173-E175 PolarHBondContact O-N 2.9Å; R173-L217 HydrophobicContact CB-CD1 4.44Å; R173-A221 HydrophobicContact CB-CB 3.93Å; R173-A221 HydrophobicContact CG-CB 4.36Å |
| 174 | D | 95.9 | Very high | 94.8 | Very high | 118 Ų | 118 | 31.5 Ų | 31.5 | 63% | 0.631 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 5.5 | -179 | -61.5 | -28.3 | 0 | 0 | 0 | 112.3 | S172 D176 | S172-D174 PolarHBondContact O-N 3.01Å; D174-D176 PolarHBondContact O-N 2.78Å |
| 175 | E | 96.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 32.2 Ų | 32.2 | 43% | 0.43 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 55.4 | 22.8 | 179.2 | -60.8 | -173.7 | 168.3 | 0 | 0 | 114.4 | V120 S172 R173 L193 | V120-E175 HydrophobicContact CG1-CB 3.81Å; V120-E175 HydrophobicContact CG1-CG 4.37Å; V120-E175 HydrophobicContact CG2-CB 4.22Å; V120-E175 HydrophobicContact CG2-CG 4.32Å; S172-E175 PolarHBondContact O-N 3.36Å; S172-E175 PolarHBondContact OG-N 2.78Å; R173-E175 PolarHBondContact O-N 2.9Å; E175-L193 WeakPolarHBondContact O-CD1 3.37Å |
| 176 | D | 96.8 | Very high | 95 | Very high | 74 Ų | 74 | 31.2 Ų | 31.2 | 40% | 0.396 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -98.1 | -8.7 | -178.8 | 73.3 | -26.4 | 0 | 0 | 0 | 113.1 | S172 D174 L193 | S172-D176 PolarHBondContact OG-N 2.93Å; S172-D176 VanDerWaalsContact OG-N 3.16Å; S172-D176 PolarHBondContact OG-OD1 2.79Å; D174-D176 PolarHBondContact O-N 2.78Å; D176-L193 WeakPolarHBondContact O-CA 3.42Å; D176-L193 PolarHBondContact O-N 3.22Å |
| 177 | E | 97.2 | Very high | 95.1 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 11% | 0.107 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 150.8 | -179.3 | -59.8 | -169.5 | 133.7 | 0 | 0 | 111.4 | A171 S172 R190 V191 R192 | A171-E177 CarbonylContact C-O 3.58Å; A171-E177 WeakPolarHBondContact CA-O 3.39Å; S172-E177 PolarHBondContact N-O 2.67Å; S172-E177 PolarHBondContact OG-N 2.96Å; S172-E177 PolarHBondContact OG-O 3.03Å; E177-R190 HydrophobicContact CB-CG 4.16Å; E177-R190 VanDerWaalsContact CD-CD 3.49Å; E177-R190 VanDerWaalsContact CD-NH1 3.29Å; E177-R190 HydrophobicContact CG-CG 4.43Å; E177-R190 WeakPolarHBondContact OE1-CD 3.41Å; E177-R190 IonicContact OE1-CZ 2.92Å; E177-R190 IonicContact OE1-NE 3.1Å; E177-R190 PolarHBondContact OE1-NE 3.03Å; E177-R190 VanDerWaalsContact OE1-NE 3.1Å; E177-R190 IonicContact OE1-NH1 2.89Å; E177-R190 PolarHBondContact OE1-NH1 3.33Å; E177-R190 IonicContact OE1-NH2 3.61Å; E177-R190 WeakPolarHBondContact OE2-CD 3.25Å; E177-R190 IonicContact OE2-CZ 3.52Å; E177-R190 IonicContact OE2-NE 3.6Å; E177-R190 IonicContact OE2-NH1 2.85Å; E177-R190 PolarHBondContact OE2-NH1 3.38Å; E177-V191 CarbonylContact C-O 3.5Å; E177-V191 WeakPolarHBondContact CA-O 3.49Å; E177-R192 HydrophobicContact CG-CG 4.19Å; E177-R192 WeakPolarHBondContact OE1-CG 3.49Å; E177-R192 IonicContact OE1-NE 3.58Å |
| 178 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.3 | 168.9 | -61.2 | 169.6 | 0 | 0 | 0 | 109.3 | V120 F125 L146 V169 A171 R190 V191 L193 | V120-L178 HydrophobicContact CG2-CD2 4.39Å; F125-L178 HydrophobicContact CB-CD1 4.05Å; F125-L178 HydrophobicContact CB-CD2 4.38Å; F125-L178 HydrophobicContact CD1-CD1 3.39Å; F125-L178 HydrophobicContact CD2-CD1 3.9Å; F125-L178 HydrophobicContact CD2-CD2 3.95Å; F125-L178 HydrophobicContact CE1-CD1 3.71Å; F125-L178 HydrophobicContact CE2-CD1 4.19Å; F125-L178 HydrophobicContact CE2-CD2 4.49Å; F125-L178 HydrophobicContact CG-CD1 3.47Å; F125-L178 VanDerWaalsContact CG-CD1 3.47Å; F125-L178 HydrophobicContact CG-CD2 4.12Å; F125-L178 HydrophobicContact CG-CG 4.46Å; F125-L178 HydrophobicContact CZ-CD1 4.1Å; L146-L178 HydrophobicContact CD2-CD1 4.22Å; V169-L178 HydrophobicContact CG2-CD2 4.48Å; A171-L178 HydrophobicContact CB-CD2 4.01Å; L178-R190 CarbonylContact O-C 3.51Å; L178-R190 VanDerWaalsContact O-CA 3.24Å; L178-R190 WeakPolarHBondContact O-CA 3.35Å; L178-V191 HydrophobicContact CB-CB 4.3Å; L178-V191 PolarHBondContact N-O 2.75Å; L178-V191 PolarHBondContact O-N 3Å; L178-L193 HydrophobicContact CD1-CD1 4.41Å; L178-L193 HydrophobicContact CD1-CD2 4.07Å; L178-L193 HydrophobicContact CD1-CG 4.48Å; L178-L193 HydrophobicContact CD2-CD1 4.01Å; L178-L193 HydrophobicContact CG-CD1 3.85Å; L178-L193 HydrophobicContact CG-CD2 4.28Å; L178-L193 HydrophobicContact CG-CG 4.13Å |
| 179 | F | 98.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.8 | 168.4 | -59.4 | -78.5 | 0 | 0 | 0 | 109.9 | V169 Q170 I188 L189 R190 F204 I215 L223 | V169-F179 CarbonylContact C-O 3.58Å; V169-F179 VanDerWaalsContact CA-O 3.25Å; V169-F179 WeakPolarHBondContact CA-O 3.45Å; Q170-F179 PolarHBondContact N-O 3.03Å; Q170-F179 PolarHBondContact O-N 3.09Å; F179-I188 HydrophobicContact CB-CG2 4Å; F179-I188 HydrophobicContact CD1-CG2 4.31Å; F179-L189 CarbonylContact C-O 3.6Å; F179-L189 VanDerWaalsContact CA-O 3.3Å; F179-L189 WeakPolarHBondContact CA-O 3.23Å; F179-R190 HydrophobicContact CD1-CB 4.4Å; F179-R190 HydrophobicContact CD1-CG 4.45Å; F179-R190 HydrophobicContact CE1-CB 4.44Å; F179-R190 HydrophobicContact CE1-CG 4.16Å; F179-F204 AromaticContact CD1-CD1 3.62Å; F179-F204 HydrophobicContact CD1-CD1 3.62Å; F179-F204 AromaticContact CD1-CE1 3.94Å; F179-F204 HydrophobicContact CD1-CE1 3.94Å; F179-F204 HydrophobicContact CD1-CG 4.11Å; F179-F204 AromaticContact CE1-CD1 3.63Å; F179-F204 HydrophobicContact CE1-CD1 3.63Å; F179-F204 HydrophobicContact CE1-CD2 4.18Å; F179-F204 AromaticContact CE1-CE1 3.65Å; F179-F204 HydrophobicContact CE1-CE1 3.65Å; F179-F204 HydrophobicContact CE1-CE2 4.19Å; F179-F204 AromaticContact CE1-CG 3.91Å; F179-F204 HydrophobicContact CE1-CG 3.91Å; F179-F204 AromaticContact CE1-CZ 3.93Å; F179-F204 HydrophobicContact CE1-CZ 3.93Å; F179-I215 HydrophobicContact CB-CD1 3.94Å; F179-L223 HydrophobicContact CB-CD2 4.47Å; F179-L223 HydrophobicContact CD1-CD1 3.89Å; F179-L223 HydrophobicContact CD2-CD1 3.87Å; F179-L223 HydrophobicContact CD2-CD2 3.59Å; F179-L223 HydrophobicContact CD2-CG 4.35Å; F179-L223 HydrophobicContact CE1-CD1 3.76Å; F179-L223 HydrophobicContact CE2-CD1 3.75Å; F179-L223 HydrophobicContact CE2-CD2 3.99Å; F179-L223 HydrophobicContact CE2-CG 4.39Å; F179-L223 HydrophobicContact CG-CD1 3.94Å; F179-L223 HydrophobicContact CG-CD2 4.04Å; F179-L223 HydrophobicContact CZ-CD1 3.7Å |
| 180 | V | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121.6 | -178.3 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | T127 L146 L163 P166 G168 V169 E182 I188 L189 | T127-V180 HydrophobicContact CG2-CG1 4.28Å; L146-V180 HydrophobicContact CD1-CG2 4.04Å; L146-V180 HydrophobicContact CD2-CG2 3.95Å; L163-V180 HydrophobicContact CD1-CG1 4.46Å; P166-V180 HydrophobicContact CB-CG1 4.18Å; G168-V180 WeakPolarHBondContact O-CA 3.43Å; V169-V180 HydrophobicContact CG2-CG2 4.36Å; V180-E182 PolarHBondContact O-N 2.88Å; V180-I188 CarbonylContact O-C 3.52Å; V180-I188 WeakPolarHBondContact O-CA 3.17Å; V180-L189 HydrophobicContact CB-CB 4.38Å; V180-L189 PolarHBondContact N-O 2.73Å; V180-L189 PolarHBondContact O-N 3.12Å |
| 181 | A | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P166 N167 G168 I188 P212 D213 I215 | P166-A181 CarbonylContact C-O 3.54Å; P166-A181 VanDerWaalsContact CA-O 3.27Å; P166-A181 WeakPolarHBondContact CA-O 3.28Å; N167-A181 PolarHBondContact N-O 2.84Å; G168-A181 PolarHBondContact O-N 3.36Å; A181-I188 HydrophobicContact CB-CD1 3.73Å; A181-P212 HydrophobicContact CB-CB 4.03Å; A181-P212 HydrophobicContact CB-CG 4.29Å; A181-D213 WeakPolarHBondContact CB-O 3.48Å; A181-I215 HydrophobicContact CB-CD1 3.87Å; A181-I215 HydrophobicContact CB-CG1 3.9Å |
| 182 | E | 93.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 86.3 | 175.6 | -167.8 | 178.1 | -168.2 | 0 | 0 | 108.9 | L163 H164 V180 G184 M185 A186 R187 | L163-E182 WeakPolarHBondContact CA-OE1 3.49Å; H164-E182 HydrophobicContact CB-CG 3.85Å; H164-E182 WeakPolarHBondContact CB-OE1 3.19Å; H164-E182 IonicContact CG-OE1 3.5Å; H164-E182 PolarHBondContact N-OE1 3.5Å; H164-E182 IonicContact ND1-OE1 2.87Å; H164-E182 PolarHBondContact ND1-OE1 3.4Å; H164-E182 WeakPolarHBondContact O-CG 3.39Å; V180-E182 PolarHBondContact O-N 2.88Å; E182-G184 VanDerWaalsContact C-N 3.3Å; E182-G184 PolarHBondContact O-N 2.79Å; E182-M185 HydrophobicContact CG-CB 4.07Å; E182-M185 HydrophobicContact CG-CG 4.21Å; E182-M185 CarbonylContact O-C 3.46Å; E182-M185 PolarHBondContact O-N 2.86Å; E182-A186 PolarHBondContact O-N 3.25Å; E182-A186 VanDerWaalsContact O-N 3.1Å; E182-R187 HydrophobicContact CB-CG 4.09Å; E182-R187 PolarHBondContact N-O 3.12Å; E182-R187 PolarHBondContact O-N 2.82Å; E182-R187 IonicContact OE1-NH2 3.47Å; E182-R187 PolarHBondContact OE1-NH2 3.06Å; E182-R187 IonicContact OE2-CZ 3.05Å; E182-R187 IonicContact OE2-NE 2.62Å; E182-R187 PolarHBondContact OE2-NE 2.92Å; E182-R187 IonicContact OE2-NH2 2.68Å; E182-R187 PolarHBondContact OE2-NH2 2.93Å |
| 183 | T | 90.6 | Very high | 95.4 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -54.3 | -45.6 | -172.7 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | F165 N167 M185 A186 L211 P212 | F165-T183 HydrophobicContact CD1-CG2 3.94Å; F165-T183 WeakPolarHBondContact O-CB 3.44Å; F165-T183 PolarHBondContact O-N 3.35Å; F165-T183 VanDerWaalsContact O-N 3.11Å; F165-T183 PolarHBondContact O-OG1 3.06Å; N167-T183 WeakPolarHBondContact CB-OG1 3.31Å; N167-T183 PolarHBondContact ND2-OG1 2.76Å; T183-M185 PolarHBondContact O-N 2.88Å; T183-M185 VanDerWaalsContact O-N 3.12Å; T183-A186 PolarHBondContact O-N 2.82Å; T183-A186 VanDerWaalsContact O-N 3.08Å; T183-L211 HydrophobicContact CG2-CB 3.72Å; T183-P212 WeakPolarHBondContact CB-O 3.3Å; T183-P212 WeakPolarHBondContact CG2-O 3.31Å; T183-P212 PolarHBondContact OG1-O 3.06Å |
| 184 | G | 83.6 | Confident | 95.4 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -65.4 | -15.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H164 E182 | H164-G184 WeakPolarHBondContact O-CA 3.36Å; H164-G184 PolarHBondContact O-N 3.33Å; E182-G184 VanDerWaalsContact C-N 3.3Å; E182-G184 PolarHBondContact O-N 2.79Å |
| 185 | M | 87.2 | Confident | 95.4 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 41% | 0.414 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -114.1 | 5.2 | 177.1 | -68 | -65.1 | -69.5 | 0 | 0 | 113 | H164 E182 T183 R187 | H164-M185 HydrophobicContact CB-CG 3.51Å; H164-M185 HydrophobicContact CB-SD 4.46Å; H164-M185 VanDerWaalsContact CG-CG 3.47Å; E182-M185 HydrophobicContact CG-CB 4.07Å; E182-M185 HydrophobicContact CG-CG 4.21Å; E182-M185 CarbonylContact O-C 3.46Å; E182-M185 PolarHBondContact O-N 2.86Å; T183-M185 PolarHBondContact O-N 2.88Å; T183-M185 VanDerWaalsContact O-N 3.12Å; M185-R187 VanDerWaalsContact C-N 3.26Å; M185-R187 HydrophobicContact CB-CG 3.75Å; M185-R187 PolarHBondContact O-N 2.85Å |
| 186 | A | 91.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 47.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | E182 T183 N207 L208 C210 L211 | E182-A186 PolarHBondContact O-N 3.25Å; E182-A186 VanDerWaalsContact O-N 3.1Å; T183-A186 PolarHBondContact O-N 2.82Å; T183-A186 VanDerWaalsContact O-N 3.08Å; A186-N207 PolarHBondContact O-N 3.35Å; A186-L208 WeakPolarHBondContact O-CB 3.02Å; A186-L208 PolarHBondContact O-N 3.29Å; A186-C210 WeakPolarHBondContact CB-O 3.44Å; A186-L211 HydrophobicContact CB-CD2 4.46Å |
| 187 | R | 95.2 | Very high | 94.8 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160.4 | -174.1 | 71.2 | -179.7 | -177.4 | -179.7 | -1 | 112.1 | E182 M185 L205 | E182-R187 HydrophobicContact CB-CG 4.09Å; E182-R187 PolarHBondContact N-O 3.12Å; E182-R187 PolarHBondContact O-N 2.82Å; E182-R187 IonicContact OE1-NH2 3.47Å; E182-R187 PolarHBondContact OE1-NH2 3.06Å; E182-R187 IonicContact OE2-CZ 3.05Å; E182-R187 IonicContact OE2-NE 2.62Å; E182-R187 PolarHBondContact OE2-NE 2.92Å; E182-R187 IonicContact OE2-NH2 2.68Å; E182-R187 PolarHBondContact OE2-NH2 2.93Å; M185-R187 VanDerWaalsContact C-N 3.26Å; M185-R187 HydrophobicContact CB-CG 3.75Å; M185-R187 PolarHBondContact O-N 2.85Å; R187-L205 VanDerWaalsContact CA-O 3.3Å; R187-L205 WeakPolarHBondContact CA-O 3.45Å; R187-L205 WeakPolarHBondContact CB-O 3.28Å |
| 188 | I | 98.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.2 | 168.7 | -51 | -53.6 | 0 | 0 | 0 | 107.9 | F179 V180 A181 F204 L205 L208 P212 I215 V225 | F179-I188 HydrophobicContact CB-CG2 4Å; F179-I188 HydrophobicContact CD1-CG2 4.31Å; V180-I188 CarbonylContact O-C 3.52Å; V180-I188 WeakPolarHBondContact O-CA 3.17Å; A181-I188 HydrophobicContact CB-CD1 3.73Å; I188-F204 HydrophobicContact CB-CD1 4.35Å; I188-F204 HydrophobicContact CG2-CD1 4.11Å; I188-F204 WeakPolarHBondContact O-CB 3.29Å; I188-F204 PolarHBondContact O-N 3.26Å; I188-L205 HydrophobicContact CB-CB 3.99Å; I188-L205 HydrophobicContact CB-CD1 4.34Å; I188-L205 HydrophobicContact CB-CG 4.28Å; I188-L205 HydrophobicContact CG1-CB 4.02Å; I188-L205 HydrophobicContact CG1-CD1 3.83Å; I188-L205 HydrophobicContact CG1-CG 4.27Å; I188-L205 PolarHBondContact N-O 3.02Å; I188-L205 PolarHBondContact O-N 2.78Å; I188-L205 VanDerWaalsContact O-N 3.1Å; I188-L208 HydrophobicContact CD1-CD1 4.14Å; I188-L208 HydrophobicContact CG1-CD1 4.14Å; I188-P212 HydrophobicContact CD1-CB 3.8Å; I188-P212 HydrophobicContact CD1-CG 4.13Å; I188-I215 HydrophobicContact CD1-CD1 3.87Å; I188-I215 HydrophobicContact CD1-CG1 4.32Å; I188-I215 HydrophobicContact CG1-CD1 4.5Å; I188-I215 HydrophobicContact CG2-CD1 3.8Å; I188-V225 HydrophobicContact CD1-CG1 4.15Å; I188-V225 HydrophobicContact CD1-CG2 4.36Å; I188-V225 HydrophobicContact CG1-CG2 4.32Å |
| 189 | L | 98.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 158.4 | 170.5 | -59.9 | 179.6 | 0 | 0 | 0 | 110 | L160 L163 F179 V180 V202 I203 | L160-L189 HydrophobicContact CD1-CD1 4.48Å; L163-L189 HydrophobicContact CD2-CD1 3.7Å; F179-L189 CarbonylContact C-O 3.6Å; F179-L189 VanDerWaalsContact CA-O 3.3Å; F179-L189 WeakPolarHBondContact CA-O 3.23Å; V180-L189 HydrophobicContact CB-CB 4.38Å; V180-L189 PolarHBondContact N-O 2.73Å; V180-L189 PolarHBondContact O-N 3.12Å; L189-V202 CarbonylContact C-O 3.56Å; L189-V202 WeakPolarHBondContact CA-O 3.03Å; L189-I203 HydrophobicContact CD2-CG1 4.03Å |
| 190 | R | 97.8 | Very high | 94.1 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 23% | 0.226 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132 | 173.1 | -177.4 | -179.8 | 90.6 | 156.9 | -8.8 | 110.4 | E177 L178 F179 G201 V202 F204 | E177-R190 HydrophobicContact CB-CG 4.16Å; E177-R190 VanDerWaalsContact CD-CD 3.49Å; E177-R190 VanDerWaalsContact CD-NH1 3.29Å; E177-R190 HydrophobicContact CG-CG 4.43Å; E177-R190 WeakPolarHBondContact OE1-CD 3.41Å; E177-R190 IonicContact OE1-CZ 2.92Å; E177-R190 IonicContact OE1-NE 3.1Å; E177-R190 PolarHBondContact OE1-NE 3.03Å; E177-R190 VanDerWaalsContact OE1-NE 3.1Å; E177-R190 IonicContact OE1-NH1 2.89Å; E177-R190 PolarHBondContact OE1-NH1 3.33Å; E177-R190 IonicContact OE1-NH2 3.61Å; E177-R190 WeakPolarHBondContact OE2-CD 3.25Å; E177-R190 IonicContact OE2-CZ 3.52Å; E177-R190 IonicContact OE2-NE 3.6Å; E177-R190 IonicContact OE2-NH1 2.85Å; E177-R190 PolarHBondContact OE2-NH1 3.38Å; L178-R190 CarbonylContact O-C 3.51Å; L178-R190 VanDerWaalsContact O-CA 3.24Å; L178-R190 WeakPolarHBondContact O-CA 3.35Å; F179-R190 HydrophobicContact CD1-CB 4.4Å; F179-R190 HydrophobicContact CD1-CG 4.45Å; F179-R190 HydrophobicContact CE1-CB 4.44Å; F179-R190 HydrophobicContact CE1-CG 4.16Å; R190-G201 WeakPolarHBondContact O-CA 3.09Å; R190-V202 PolarHBondContact N-O 2.78Å; R190-V202 PolarHBondContact O-N 3.3Å; R190-F204 HydrophobicContact CB-CB 3.95Å |
| 191 | V | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134 | 175 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | L146 V159 L160 E177 L178 L195 P199 | L146-V191 HydrophobicContact CD2-CG2 4.15Å; V159-V191 HydrophobicContact CG1-CG1 4.22Å; L160-V191 HydrophobicContact CD1-CG2 3.52Å; L160-V191 HydrophobicContact CG-CG2 4.12Å; E177-V191 CarbonylContact C-O 3.5Å; E177-V191 WeakPolarHBondContact CA-O 3.49Å; L178-V191 HydrophobicContact CB-CB 4.3Å; L178-V191 PolarHBondContact N-O 2.75Å; L178-V191 PolarHBondContact O-N 3Å; V191-L195 HydrophobicContact CG1-CD2 3.77Å; V191-P199 HydrophobicContact CG1-CB 4.23Å |
| 192 | R | 97.7 | Very high | 94 | Very high | 158 Ų | 158 | 66.9 Ų | 66.9 | 60% | 0.596 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 141.8 | 176 | -77.3 | 179.1 | 175.5 | 161.1 | -6.9 | 111.5 | E177 | E177-R192 HydrophobicContact CG-CG 4.19Å; E177-R192 WeakPolarHBondContact OE1-CG 3.49Å; E177-R192 IonicContact OE1-NE 3.58Å |
| 193 | L | 97.4 | Very high | 94.2 | Very high | 24 Ų | 24 | 70.9 Ų | 70.9 | 13% | 0.126 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -106.4 | 154.1 | 168.3 | -60.2 | 177.2 | 0 | 0 | 0 | 109.8 | V120 F125 E175 D176 L178 L195 | V120-L193 HydrophobicContact CB-CD1 4.28Å; V120-L193 HydrophobicContact CG1-CD1 4.16Å; V120-L193 HydrophobicContact CG2-CD1 3.84Å; F125-L193 HydrophobicContact CE1-CD2 4.31Å; F125-L193 HydrophobicContact CE2-CD1 4.39Å; F125-L193 HydrophobicContact CE2-CD2 4.31Å; F125-L193 HydrophobicContact CZ-CD2 3.75Å; E175-L193 WeakPolarHBondContact O-CD1 3.37Å; D176-L193 WeakPolarHBondContact O-CA 3.42Å; D176-L193 PolarHBondContact O-N 3.22Å; L178-L193 HydrophobicContact CD1-CD1 4.41Å; L178-L193 HydrophobicContact CD1-CD2 4.07Å; L178-L193 HydrophobicContact CD1-CG 4.48Å; L178-L193 HydrophobicContact CD2-CD1 4.01Å; L178-L193 HydrophobicContact CG-CD1 3.85Å; L178-L193 HydrophobicContact CG-CD2 4.28Å; L178-L193 HydrophobicContact CG-CG 4.13Å; L193-L195 HydrophobicContact CD2-CD2 3.71Å; L193-L195 HydrophobicContact CD2-CG 3.85Å |
| 194 | P | 96.1 | Very high | 94.6 | Very high | 118 Ų | 118 | 72.1 Ų | 72.1 | 77% | 0.766 | 37% | 0.372 | S | S | * | . | S | Bend | cis | -61.8 | 151.9 | -13.7 | 29.6 | -35.5 | 0 | 0 | 0 | 111 | K196 | P194-K196 PolarHBondContact O-N 2.7Š|
| 195 | L | 95.7 | Very high | 95.3 | Very high | 64 Ų | 64 | 71 Ų | 71 | 34% | 0.335 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 124.5 | -177.2 | -66 | -178.2 | 0 | 0 | 0 | 110.9 | F125 V159 V191 L193 P199 | F125-L195 HydrophobicContact CE1-CD1 3.91Å; F125-L195 HydrophobicContact CE1-CG 4.42Å; F125-L195 HydrophobicContact CZ-CD1 4.43Å; V159-L195 HydrophobicContact CB-CD1 4.41Å; V159-L195 HydrophobicContact CG1-CD1 3.87Å; V159-L195 HydrophobicContact CG1-CD2 3.68Å; V159-L195 HydrophobicContact CG1-CG 4.46Å; V159-L195 HydrophobicContact CG2-CD1 3.76Å; V191-L195 HydrophobicContact CG1-CD2 3.77Å; L193-L195 HydrophobicContact CD2-CD2 3.71Å; L193-L195 HydrophobicContact CD2-CG 3.85Å; L195-P199 HydrophobicContact CD2-CB 3.85Å; L195-P199 HydrophobicContact CD2-CG 4.06Å |
| 196 | K | 91.4 | Very high | 95.6 | Very high | 164 Ų | 164 | 74.9 Ų | 74.9 | 71% | 0.713 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 163 | 169.6 | -62.4 | -172.8 | -179.9 | -172.9 | 0 | 110.3 | P194 K198 P199 | P194-K196 PolarHBondContact O-N 2.7Å; K196-K198 PolarHBondContact O-N 3.35Å; K196-K198 VanDerWaalsContact O-N 3.14Å; K196-P199 VanDerWaalsContact O-CD 3.24Å; K196-P199 WeakPolarHBondContact O-CD 3.38Å |
| 197 | S | 89.6 | Confident | 95.6 | Very high | 119 Ų | 119 | 79.5 Ų | 79.5 | 83% | 0.832 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -53.9 | 122.3 | 166.8 | -172.3 | 0 | 0 | 0 | 0 | 110 | ||
| 198 | K | 89.7 | Confident | 95.5 | Very high | 184 Ų | 184 | 77.5 Ų | 77.5 | 80% | 0.8 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 57.1 | 68.5 | -173.7 | -57.2 | 178.9 | -179.7 | 179 | 0 | 112.5 | K196 | K196-K198 PolarHBondContact O-N 3.35Å; K196-K198 VanDerWaalsContact O-N 3.14Å |
| 199 | P | 94.3 | Very high | 95.1 | Very high | 34 Ų | 34 | 83.6 Ų | 83.6 | 22% | 0.221 | 42% | 0.418 | C | S | . | . | trans | -62 | 154.8 | 179.5 | 26.4 | -28.3 | 0 | 0 | 0 | 110.8 | V159 V191 L195 K196 | V159-P199 HydrophobicContact CG1-CB 4.32Å; V159-P199 HydrophobicContact CG1-CG 3.75Å; V159-P199 WeakPolarHBondContact O-CG 3.23Å; V191-P199 HydrophobicContact CG1-CB 4.23Å; L195-P199 HydrophobicContact CD2-CB 3.85Å; L195-P199 HydrophobicContact CD2-CG 4.06Å; K196-P199 VanDerWaalsContact O-CD 3.24Å; K196-P199 WeakPolarHBondContact O-CD 3.38Å | ||
| 200 | K | 95.1 | Very high | 94.8 | Very high | 168 Ų | 168 | 83.3 Ų | 83.3 | 73% | 0.73 | 42% | 0.417 | S | S | * | . | trans | -127.1 | 137.6 | -178 | -66.5 | -173.4 | 179.2 | -178.2 | 0 | 110.4 | ||||
| 201 | G | 96.8 | Very high | 94.5 | Very high | 30 Ų | 30 | 82.6 Ų | 82.6 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 120.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L160 R190 | L160-G201 VanDerWaalsContact CD2-N 3.34Å; R190-G201 WeakPolarHBondContact O-CA 3.09Å |
| 202 | V | 97.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 82.6 Ų | 82.6 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 140.7 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | L189 R190 F204 | L189-V202 CarbonylContact C-O 3.56Å; L189-V202 WeakPolarHBondContact CA-O 3.03Å; R190-V202 PolarHBondContact N-O 2.78Å; R190-V202 PolarHBondContact O-N 3.3Å; V202-F204 PolarHBondContact O-N 3.38Å |
| 203 | I | 97.7 | Very high | 94.2 | Very high | 84 Ų | 84 | 75.4 Ų | 75.4 | 43% | 0.431 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 120.7 | 176.1 | -63.9 | 175.1 | 0 | 0 | 0 | 109 | L189 K206 | L189-I203 HydrophobicContact CD2-CG1 4.03Å; I203-K206 HydrophobicContact CG2-CB 3.78Å |
| 204 | F | 98.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 74.3 Ų | 74.3 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -56.9 | 174.6 | 176.3 | -121 | 0 | 0 | 0 | 110.9 | F179 I188 R190 V202 L223 D270 E271 | F179-F204 AromaticContact CD1-CD1 3.62Å; F179-F204 HydrophobicContact CD1-CD1 3.62Å; F179-F204 AromaticContact CD1-CE1 3.94Å; F179-F204 HydrophobicContact CD1-CE1 3.94Å; F179-F204 HydrophobicContact CD1-CG 4.11Å; F179-F204 AromaticContact CE1-CD1 3.63Å; F179-F204 HydrophobicContact CE1-CD1 3.63Å; F179-F204 HydrophobicContact CE1-CD2 4.18Å; F179-F204 AromaticContact CE1-CE1 3.65Å; F179-F204 HydrophobicContact CE1-CE1 3.65Å; F179-F204 HydrophobicContact CE1-CE2 4.19Å; F179-F204 AromaticContact CE1-CG 3.91Å; F179-F204 HydrophobicContact CE1-CG 3.91Å; F179-F204 AromaticContact CE1-CZ 3.93Å; F179-F204 HydrophobicContact CE1-CZ 3.93Å; I188-F204 HydrophobicContact CB-CD1 4.35Å; I188-F204 HydrophobicContact CG2-CD1 4.11Å; I188-F204 WeakPolarHBondContact O-CB 3.29Å; I188-F204 PolarHBondContact O-N 3.26Å; R190-F204 HydrophobicContact CB-CB 3.95Å; V202-F204 PolarHBondContact O-N 3.38Å; F204-L223 HydrophobicContact CE1-CD1 3.59Å; F204-L223 HydrophobicContact CZ-CD1 4.11Å; F204-D270 WeakPolarHBondContact CZ-O 3.27Å; F204-E271 WeakPolarHBondContact CE2-O 3.4Å |
| 205 | L | 97.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.1 | 171.8 | -60.2 | 177.9 | 0 | 0 | 0 | 109.2 | R187 I188 L208 F269 G273 | R187-L205 VanDerWaalsContact CA-O 3.3Å; R187-L205 WeakPolarHBondContact CA-O 3.45Å; R187-L205 WeakPolarHBondContact CB-O 3.28Å; I188-L205 HydrophobicContact CB-CB 3.99Å; I188-L205 HydrophobicContact CB-CD1 4.34Å; I188-L205 HydrophobicContact CB-CG 4.28Å; I188-L205 HydrophobicContact CG1-CB 4.02Å; I188-L205 HydrophobicContact CG1-CD1 3.83Å; I188-L205 HydrophobicContact CG1-CG 4.27Å; I188-L205 PolarHBondContact N-O 3.02Å; I188-L205 PolarHBondContact O-N 2.78Å; I188-L205 VanDerWaalsContact O-N 3.1Å; L205-L208 HydrophobicContact CB-CD2 4.28Å; L205-L208 HydrophobicContact CD1-CD2 4.36Å; L205-F269 HydrophobicContact CD1-CB 4.27Å; L205-F269 HydrophobicContact CD1-CD1 3.8Å; L205-F269 HydrophobicContact CD1-CD2 3.55Å; L205-F269 HydrophobicContact CD1-CE1 3.92Å; L205-F269 HydrophobicContact CD1-CE2 3.65Å; L205-F269 HydrophobicContact CD1-CG 3.61Å; L205-F269 HydrophobicContact CD1-CZ 3.85Å; L205-F269 HydrophobicContact CD2-CD1 3.88Å; L205-F269 HydrophobicContact CD2-CE1 4.08Å; L205-F269 HydrophobicContact CD2-CG 4.38Å; L205-G273 WeakPolarHBondContact CD2-O 3.44Å |
| 206 | K | 94 | Very high | 94.3 | Very high | 166 Ų | 166 | 66.6 Ų | 66.6 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | trans | -125.8 | 154.7 | 178 | 65.8 | -178.5 | 179.8 | -179.2 | 0 | 111.7 | I203 L208 | I203-K206 HydrophobicContact CG2-CB 3.78Å; K206-L208 VanDerWaalsContact C-N 3.27Å; K206-L208 PolarHBondContact O-N 3.49Å | ||
| 207 | N | 90.7 | Very high | 94.6 | Very high | 101 Ų | 101 | 60.9 Ų | 60.9 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 53.1 | 44.5 | 172.5 | -167.1 | 43.8 | 0 | 0 | 0 | 112.7 | A186 R231 | A186-N207 PolarHBondContact O-N 3.35Å; N207-R231 PolarHBondContact OD1-NH1 3.34Å; N207-R231 PolarHBondContact OD1-NH2 2.82Å |
| 208 | L | 93.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | trans | -56.5 | 142.8 | 172.7 | -66.3 | 172.8 | 0 | 0 | 0 | 109.1 | A186 I188 L205 K206 C210 P212 V225 R231 L267 F269 | A186-L208 WeakPolarHBondContact O-CB 3.02Å; A186-L208 PolarHBondContact O-N 3.29Å; I188-L208 HydrophobicContact CD1-CD1 4.14Å; I188-L208 HydrophobicContact CG1-CD1 4.14Å; L205-L208 HydrophobicContact CB-CD2 4.28Å; L205-L208 HydrophobicContact CD1-CD2 4.36Å; K206-L208 VanDerWaalsContact C-N 3.27Å; K206-L208 PolarHBondContact O-N 3.49Å; L208-C210 PolarHBondContact O-N 3.41Å; L208-P212 HydrophobicContact CD1-CB 3.86Å; L208-P212 HydrophobicContact CD1-CG 3.88Å; L208-V225 HydrophobicContact CD1-CG1 4.4Å; L208-R231 WeakPolarHBondContact O-CD 3.46Å; L208-R231 PolarHBondContact O-NH1 2.74Å; L208-L267 HydrophobicContact CD2-CD1 4.27Å; L208-F269 HydrophobicContact CD2-CE2 4.2Å; L208-F269 HydrophobicContact CD2-CZ 3.73Å | ||
| 209 | H | 89.9 | Confident | 95 | Very high | 129 Ų | 129 | 50.6 Ų | 50.6 | 60% | 0.597 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -72.4 | 5.9 | 176.3 | -58.2 | 136.3 | 0 | 0 | 0 | 113.1 | R231 | H209-R231 PolarHBondContact O-N 3.44Š|
| 210 | C | 91.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 169.5 | -178.4 | 82.1 | 0 | 0 | 0 | 0 | 110.4 | A186 L208 P212 C227 A229 L265 | A186-C210 WeakPolarHBondContact CB-O 3.44Å; L208-C210 PolarHBondContact O-N 3.41Å; C210-P212 WeakPolarHBondContact O-CD 3.39Å; C210-C227 HydrophobicContact CB-CB 3.43Å; C210-C227 VanDerWaalsContact CB-CB 3.43Å; C210-C227 WeakPolarHBondContact CB-SG 3.4Å; C210-C227 WeakPolarHBondContact SG-CB 3.2Å; C210-C227 CovalentContact SG-SG 2.04Å; C210-C227 PolarHBondContact SG-SG 2.73Å; C210-A229 CarbonylContact C-O 3.15Å; C210-A229 VanDerWaalsContact CA-O 3.27Å; C210-A229 WeakPolarHBondContact CA-O 3.27Å; C210-A229 VanDerWaalsContact CB-O 3.29Å; C210-A229 WeakPolarHBondContact CB-O 3.37Å; C210-L265 HydrophobicContact CB-CD2 3.89Å |
| 211 | L | 91.1 | Very high | 94.9 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 107.7 | 168.6 | -59 | -172.2 | 0 | 0 | 0 | 107.6 | T183 A186 C227 A228 A229 R231 M235 | T183-L211 HydrophobicContact CG2-CB 3.72Å; A186-L211 HydrophobicContact CB-CD2 4.46Å; L211-C227 WeakPolarHBondContact O-CA 3.48Å; L211-A228 PolarHBondContact O-N 2.83Å; L211-A229 HydrophobicContact CD1-CB 4.39Å; L211-A229 PolarHBondContact N-O 3.21Å; L211-R231 HydrophobicContact CD2-CG 4Å; L211-R231 HydrophobicContact CG-CG 4.45Å; L211-M235 HydrophobicContact CD1-SD 3.86Å; L211-M235 HydrophobicContact CG-SD 4.27Å |
| 212 | P | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 147 | -176.6 | 29.5 | -37.1 | 0 | 0 | 0 | 111 | A181 T183 I188 L208 C210 V225 A226 | A181-P212 HydrophobicContact CB-CB 4.03Å; A181-P212 HydrophobicContact CB-CG 4.29Å; T183-P212 WeakPolarHBondContact CB-O 3.3Å; T183-P212 WeakPolarHBondContact CG2-O 3.31Å; T183-P212 PolarHBondContact OG1-O 3.06Å; I188-P212 HydrophobicContact CD1-CB 3.8Å; I188-P212 HydrophobicContact CD1-CG 4.13Å; L208-P212 HydrophobicContact CD1-CB 3.86Å; L208-P212 HydrophobicContact CD1-CG 3.88Å; C210-P212 WeakPolarHBondContact O-CD 3.39Å; P212-V225 HydrophobicContact CB-CG1 3.7Å; P212-A226 CarbonylContact C-O 3.59Å; P212-A226 WeakPolarHBondContact CA-O 3.47Å |
| 213 | D | 94.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -135.8 | 176.7 | -151.5 | -34 | 0 | 0 | 0 | 109.6 | N167 A181 A226 A228 S291 | N167-D213 PolarHBondContact ND2-OD1 3.05Å; N167-D213 PolarHBondContact OD1-OD1 3.34Å; N167-D213 VanDerWaalsContact OD1-OD1 3.08Å; A181-D213 WeakPolarHBondContact CB-O 3.48Å; D213-A226 HydrophobicContact CB-CB 4.16Å; D213-A226 PolarHBondContact N-O 3.22Å; D213-A228 HydrophobicContact CB-CB 4.17Å; D213-A228 WeakPolarHBondContact OD2-CB 3.18Å; D213-S291 WeakPolarHBondContact CB-O 3.17Å |
| 214 | N | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 147.4 | 175.7 | -66.1 | -18.6 | 0 | 0 | 0 | 112.4 | R216 A226 S291 E292 | N214-R216 PolarHBondContact ND2-NH2 2.89Å; N214-A226 WeakPolarHBondContact O-CB 3.36Å; N214-A226 PolarHBondContact O-N 2.98Å; N214-A226 VanDerWaalsContact O-N 3.14Å; N214-S291 WeakPolarHBondContact CB-O 3.12Å; N214-S291 PolarHBondContact N-O 2.61Å; N214-E292 HydrophobicContact CB-CB 4.12Å; N214-E292 HydrophobicContact CB-CG 3.98Å |
| 215 | I | 98 | Very high | 95 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.7 | 175.8 | -49.8 | 172.9 | 0 | 0 | 0 | 107.7 | Q170 F179 A181 I188 L223 W224 | Q170-I215 HydrophobicContact CB-CB 3.85Å; Q170-I215 HydrophobicContact CB-CG2 3.86Å; Q170-I215 HydrophobicContact CG-CG2 4.25Å; Q170-I215 PolarHBondContact OE1-O 2.91Å; F179-I215 HydrophobicContact CB-CD1 3.94Å; A181-I215 HydrophobicContact CB-CD1 3.87Å; A181-I215 HydrophobicContact CB-CG1 3.9Å; I188-I215 HydrophobicContact CD1-CD1 3.87Å; I188-I215 HydrophobicContact CD1-CG1 4.32Å; I188-I215 HydrophobicContact CG1-CD1 4.5Å; I188-I215 HydrophobicContact CG2-CD1 3.8Å; I215-L223 HydrophobicContact CG2-CB 4.3Å; I215-L223 HydrophobicContact CG2-CD2 3.62Å; I215-W224 CarbonylContact C-O 3.51Å; I215-W224 VanDerWaalsContact CA-O 3.28Å; I215-W224 WeakPolarHBondContact CA-O 3.38Å; I215-W224 WeakPolarHBondContact CG2-O 3.2Å |
| 216 | R | 97.3 | Very high | 94.9 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.7 | 175.3 | -62.4 | -65.1 | 175 | -98.4 | 2.6 | 110.6 | R70 D116 N214 W224 E292 V293 | R70-R216 VanDerWaalsContact CZ-NH1 3.32Å; R70-R216 VanDerWaalsContact NH1-NH1 3.19Å; D116-R216 IonicContact OD1-CZ 3.69Å; D116-R216 IonicContact OD1-NH1 3.01Å; D116-R216 IonicContact OD1-NH2 2.82Å; D116-R216 PolarHBondContact OD1-NH2 2.88Å; D116-R216 IonicContact OD2-CZ 2.67Å; D116-R216 IonicContact OD2-NH1 3.97Å; D116-R216 PolarHBondContact OD2-NH1 3.06Å; D116-R216 IonicContact OD2-NH2 3.03Å; D116-R216 PolarHBondContact OD2-NH2 2.93Å; N214-R216 PolarHBondContact ND2-NH2 2.89Å; R216-W224 PolarHBondContact N-O 2.73Å; R216-W224 WeakPolarHBondContact O-CB 3.28Å; R216-W224 PolarHBondContact O-N 3.13Å; R216-E292 HydrophobicContact CG-CG 3.69Å; R216-E292 IonicContact CZ-OE2 3.44Å; R216-E292 IonicContact NE-OE2 3.73Å; R216-E292 PolarHBondContact NE-OE2 2.65Å; R216-E292 IonicContact NH2-OE2 2.65Å; R216-E292 PolarHBondContact NH2-OE2 2.74Å; R216-V293 WeakPolarHBondContact CB-O 3.21Å |
| 217 | L | 96.7 | Very high | 95 | Very high | 45 Ų | 45 | 29.7 Ų | 29.7 | 24% | 0.236 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 141.4 | 169.5 | -63.5 | 176.5 | 0 | 0 | 0 | 110.5 | Q170 R173 N222 L223 | Q170-L217 HydrophobicContact CG-CD2 4.28Å; Q170-L217 HydrophobicContact CG-CG 4.02Å; R173-L217 HydrophobicContact CB-CD1 4.44Å; L217-N222 CarbonylContact C-O 3.45Å; L217-N222 VanDerWaalsContact CA-O 3.31Å; L217-N222 WeakPolarHBondContact CA-O 3.37Å; L217-L223 HydrophobicContact CD2-CD2 3.74Å; L217-L223 HydrophobicContact CD2-CG 4.31Å |
| 218 | S | 95.6 | Very high | 95 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 8% | 0.077 | 13% | 0.133 | C | C | . | . | trans | -76.1 | 168.8 | 158.5 | 71.7 | 0 | 0 | 0 | 0 | 110.3 | D220 A221 N222 D295 | S218-D220 PolarHBondContact O-N 2.98Å; S218-D220 VanDerWaalsContact O-N 3.12Å; S218-D220 PolarHBondContact OG-N 2.97Å; S218-A221 PolarHBondContact O-N 2.94Å; S218-N222 PolarHBondContact N-O 3.46Å; S218-N222 WeakPolarHBondContact OG-CB 3.42Å; S218-N222 PolarHBondContact OG-N 3.04Å; S218-N222 PolarHBondContact OG-O 2.86Å; S218-D295 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 219 | M | 91.8 | Very high | 94.6 | Very high | 76 Ų | 76 | 26.2 Ų | 26.2 | 37% | 0.374 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.2 | 172.8 | -65 | -54.9 | -57.1 | 0 | 0 | 114 | E22 A221 | E22-M219 VanDerWaalsContact OE1-CE 3.25Å; E22-M219 WeakPolarHBondContact OE1-CE 3.45Å; M219-A221 VanDerWaalsContact C-N 3.28Å; M219-A221 PolarHBondContact O-N 2.84Å |
| 220 | D | 92.7 | Very high | 94.5 | Very high | 128 Ų | 128 | 21 Ų | 21 | 68% | 0.684 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 21.1 | 179.4 | -60 | -43.2 | 0 | 0 | 0 | 112.3 | S218 N222 | S218-D220 PolarHBondContact O-N 2.98Å; S218-D220 VanDerWaalsContact O-N 3.12Å; S218-D220 PolarHBondContact OG-N 2.97Å; D220-N222 PolarHBondContact O-N 3.47Å; D220-N222 VanDerWaalsContact O-N 3.08Å; D220-N222 PolarHBondContact O-ND2 2.83Å |
| 221 | A | 95 | Very high | 94 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 7% | 0.074 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 63.3 | 9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | R173 S218 M219 | R173-A221 HydrophobicContact CB-CB 3.93Å; R173-A221 HydrophobicContact CG-CB 4.36Å; S218-A221 PolarHBondContact O-N 2.94Å; M219-A221 VanDerWaalsContact C-N 3.28Å; M219-A221 PolarHBondContact O-N 2.84Å |
| 222 | N | 97.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 16% | 0.155 | 13% | 0.131 | C | C | . | . | trans | -73.5 | 158.6 | 170.3 | -59.6 | -65.1 | 0 | 0 | 0 | 111.3 | L217 S218 D220 L268 F269 D270 L276 | L217-N222 CarbonylContact C-O 3.45Å; L217-N222 VanDerWaalsContact CA-O 3.31Å; L217-N222 WeakPolarHBondContact CA-O 3.37Å; S218-N222 PolarHBondContact N-O 3.46Å; S218-N222 WeakPolarHBondContact OG-CB 3.42Å; S218-N222 PolarHBondContact OG-N 3.04Å; S218-N222 PolarHBondContact OG-O 2.86Å; D220-N222 PolarHBondContact O-N 3.47Å; D220-N222 VanDerWaalsContact O-N 3.08Å; D220-N222 PolarHBondContact O-ND2 2.83Å; N222-L268 HydrophobicContact CB-CD1 3.56Å; N222-L268 HydrophobicContact CB-CD2 4.48Å; N222-L268 HydrophobicContact CB-CG 4.04Å; N222-F269 CarbonylContact C-O 3.53Å; N222-F269 WeakPolarHBondContact CA-O 2.94Å; N222-F269 VanDerWaalsContact CB-O 3.32Å; N222-F269 WeakPolarHBondContact CB-O 3.44Å; N222-D270 WeakPolarHBondContact OD1-CA 3.33Å; N222-L276 HydrophobicContact CB-CD1 4.15Å; N222-L276 VanDerWaalsContact CG-CD1 3.47Å; N222-L276 VanDerWaalsContact OD1-CD1 3.31Å; N222-L276 WeakPolarHBondContact OD1-CD1 3.49Å | ||
| 223 | L | 97.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 108 | -175.8 | -68.4 | 157.4 | 0 | 0 | 0 | 111.1 | Q170 F179 F204 I215 L217 L268 F269 | Q170-L223 HydrophobicContact CG-CD2 4.1Å; F179-L223 HydrophobicContact CB-CD2 4.47Å; F179-L223 HydrophobicContact CD1-CD1 3.89Å; F179-L223 HydrophobicContact CD2-CD1 3.87Å; F179-L223 HydrophobicContact CD2-CD2 3.59Å; F179-L223 HydrophobicContact CD2-CG 4.35Å; F179-L223 HydrophobicContact CE1-CD1 3.76Å; F179-L223 HydrophobicContact CE2-CD1 3.75Å; F179-L223 HydrophobicContact CE2-CD2 3.99Å; F179-L223 HydrophobicContact CE2-CG 4.39Å; F179-L223 HydrophobicContact CG-CD1 3.94Å; F179-L223 HydrophobicContact CG-CD2 4.04Å; F179-L223 HydrophobicContact CZ-CD1 3.7Å; F204-L223 HydrophobicContact CE1-CD1 3.59Å; F204-L223 HydrophobicContact CZ-CD1 4.11Å; I215-L223 HydrophobicContact CG2-CB 4.3Å; I215-L223 HydrophobicContact CG2-CD2 3.62Å; L217-L223 HydrophobicContact CD2-CD2 3.74Å; L217-L223 HydrophobicContact CD2-CG 4.31Å; L223-L268 WeakPolarHBondContact O-CA 3.46Å; L223-F269 PolarHBondContact N-O 3.31Å; L223-F269 PolarHBondContact O-N 2.97Å |
| 224 | W | 98.1 | Very high | 89.3 | Confident | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 124.2 | 161.9 | -80.4 | 114.3 | 0 | 0 | 0 | 109.8 | I215 R216 A266 L267 L268 K277 L279 V293 D295 L300 | I215-W224 CarbonylContact C-O 3.51Å; I215-W224 VanDerWaalsContact CA-O 3.28Å; I215-W224 WeakPolarHBondContact CA-O 3.38Å; I215-W224 WeakPolarHBondContact CG2-O 3.2Å; R216-W224 PolarHBondContact N-O 2.73Å; R216-W224 WeakPolarHBondContact O-CB 3.28Å; R216-W224 PolarHBondContact O-N 3.13Å; W224-A266 HydrophobicContact CE3-CB 4.25Å; W224-A266 HydrophobicContact CZ3-CB 4.11Å; W224-L267 CarbonylContact C-O 3.51Å; W224-L267 WeakPolarHBondContact CA-O 3Å; W224-L268 HydrophobicContact CD2-CB 4.16Å; W224-L268 HydrophobicContact CD2-CD1 3.71Å; W224-L268 HydrophobicContact CD2-CG 4.44Å; W224-L268 HydrophobicContact CE3-CB 3.86Å; W224-L268 HydrophobicContact CE3-CD1 4.26Å; W224-L268 HydrophobicContact CG-CD1 3.84Å; W224-L268 HydrophobicContact CH2-CB 3.85Å; W224-L268 HydrophobicContact CH2-CD2 4.36Å; W224-L268 HydrophobicContact CZ2-CB 4.14Å; W224-L268 HydrophobicContact CZ2-CD1 4.25Å; W224-L268 HydrophobicContact CZ2-CD2 3.99Å; W224-L268 HydrophobicContact CZ2-CG 4.36Å; W224-L268 HydrophobicContact CZ3-CB 3.7Å; W224-K277 HydrophobicContact CH2-CB 4.39Å; W224-L279 HydrophobicContact CH2-CD1 3.67Å; W224-L279 HydrophobicContact CH2-CG 4.04Å; W224-L279 HydrophobicContact CZ3-CD1 4.03Å; W224-L279 HydrophobicContact CZ3-CG 4.26Å; W224-V293 HydrophobicContact CB-CB 4.05Å; W224-V293 HydrophobicContact CB-CG1 4.43Å; W224-V293 HydrophobicContact CD2-CB 4.38Å; W224-V293 HydrophobicContact CD2-CG1 3.91Å; W224-V293 HydrophobicContact CE3-CG1 4.24Å; W224-V293 HydrophobicContact CG-CB 4.17Å; W224-V293 HydrophobicContact CG-CG1 4Å; W224-D295 PolarHBondContact NE1-OD2 3.07Å; W224-L300 HydrophobicContact CH2-CD1 4.02Å; W224-L300 HydrophobicContact CZ2-CD1 3.69Å; W224-L300 HydrophobicContact CZ2-CD2 4Å |
| 225 | V | 98.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 112 | 172.1 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | I188 L208 P212 L267 F269 | I188-V225 HydrophobicContact CD1-CG1 4.15Å; I188-V225 HydrophobicContact CD1-CG2 4.36Å; I188-V225 HydrophobicContact CG1-CG2 4.32Å; L208-V225 HydrophobicContact CD1-CG1 4.4Å; P212-V225 HydrophobicContact CB-CG1 3.7Å; V225-L267 HydrophobicContact CB-CB 4.48Å; V225-L267 PolarHBondContact N-O 2.77Å; V225-L267 PolarHBondContact O-N 3.33Å; V225-F269 HydrophobicContact CB-CD2 4.47Å; V225-F269 HydrophobicContact CB-CE2 4.28Å; V225-F269 HydrophobicContact CG2-CD2 3.9Å; V225-F269 HydrophobicContact CG2-CE2 4.06Å |
| 226 | A | 97.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 146.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P212 D213 N214 I290 S291 V293 | P212-A226 CarbonylContact C-O 3.59Å; P212-A226 WeakPolarHBondContact CA-O 3.47Å; D213-A226 HydrophobicContact CB-CB 4.16Å; D213-A226 PolarHBondContact N-O 3.22Å; N214-A226 WeakPolarHBondContact O-CB 3.36Å; N214-A226 PolarHBondContact O-N 2.98Å; N214-A226 VanDerWaalsContact O-N 3.14Å; A226-I290 HydrophobicContact CB-CG2 3.89Å; A226-S291 VanDerWaalsContact CB-C 3.44Å; A226-S291 WeakPolarHBondContact CB-O 3.23Å; A226-V293 HydrophobicContact CB-CG2 4.37Å |
| 227 | C | 94.8 | Very high | 82.9 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 109.6 | 176.8 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | C210 L211 A229 L265 I290 | C210-C227 HydrophobicContact CB-CB 3.43Å; C210-C227 VanDerWaalsContact CB-CB 3.43Å; C210-C227 WeakPolarHBondContact CB-SG 3.4Å; C210-C227 WeakPolarHBondContact SG-CB 3.2Å; C210-C227 CovalentContact SG-SG 2.04Å; C210-C227 PolarHBondContact SG-SG 2.73Å; L211-C227 WeakPolarHBondContact O-CA 3.48Å; C227-A229 VanDerWaalsContact C-N 3.27Å; C227-A229 PolarHBondContact O-N 3.14Å; C227-L265 HydrophobicContact CB-CB 3.86Å; C227-L265 HydrophobicContact CB-CG 4.22Å; C227-L265 WeakPolarHBondContact CB-O 3.35Å; C227-L265 PolarHBondContact N-O 2.78Å; C227-I290 CarbonylContact C-O 3.59Å; C227-I290 PolarHBondContact N-O 3.32Å; C227-I290 PolarHBondContact O-N 3.11Å |
| 228 | A | 90.2 | Very high | 81 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | -36.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L211 D213 E289 I290 F305 | L211-A228 PolarHBondContact O-N 2.83Å; D213-A228 HydrophobicContact CB-CB 4.17Å; D213-A228 WeakPolarHBondContact OD2-CB 3.18Å; A228-E289 WeakPolarHBondContact O-CA 3.37Å; A228-I290 PolarHBondContact N-O 2.99Å; A228-F305 HydrophobicContact CB-CE1 4.09Å |
| 229 | A | 87 | Confident | 79 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 19% | 0.19 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 153.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C210 L211 C227 M235 | C210-A229 CarbonylContact C-O 3.15Å; C210-A229 VanDerWaalsContact CA-O 3.27Å; C210-A229 WeakPolarHBondContact CA-O 3.27Å; C210-A229 VanDerWaalsContact CB-O 3.29Å; C210-A229 WeakPolarHBondContact CB-O 3.37Å; L211-A229 HydrophobicContact CD1-CB 4.39Å; L211-A229 PolarHBondContact N-O 3.21Å; C227-A229 VanDerWaalsContact C-N 3.27Å; C227-A229 PolarHBondContact O-N 3.14Å; A229-M235 HydrophobicContact CB-CE 3.84Å |
| 230 | V | 87.4 | Confident | 77.3 | Confident | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 146.6 | 169.9 | -68.9 | 0 | 0 | 0 | 0 | 111 | T232 M235 Y263 L265 | V230-T232 PolarHBondContact O-N 3.28Å; V230-M235 WeakPolarHBondContact O-CE 3.47Å; V230-Y263 HydrophobicContact CB-CG 4.23Å; V230-Y263 HydrophobicContact CG1-CD1 3.39Å; V230-Y263 HydrophobicContact CG1-CD2 4Å; V230-Y263 HydrophobicContact CG1-CE1 4Å; V230-Y263 HydrophobicContact CG1-CG 3.43Å; V230-Y263 VanDerWaalsContact CG1-CG 3.43Å; V230-Y263 HydrophobicContact CG2-CD2 3.9Å; V230-Y263 HydrophobicContact CG2-CG 3.78Å; V230-L265 HydrophobicContact CG1-CB 4.2Å; V230-L265 HydrophobicContact CG1-CD2 3.97Å |
| 231 | R | 80.5 | Confident | 75.7 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 26% | 0.26 | 27% | 0.266 | S | S | . | . | trans | -79.8 | 111.3 | 177 | -69.2 | 169.6 | 66.8 | -164.7 | -2.6 | 109.5 | N207 L208 H209 L211 | N207-R231 PolarHBondContact OD1-NH1 3.34Å; N207-R231 PolarHBondContact OD1-NH2 2.82Å; L208-R231 WeakPolarHBondContact O-CD 3.46Å; L208-R231 PolarHBondContact O-NH1 2.74Å; H209-R231 PolarHBondContact O-N 3.44Å; L211-R231 HydrophobicContact CD2-CG 4Å; L211-R231 HydrophobicContact CG-CG 4.45Å | ||
| 232 | T | 69.2 | Low | 74.1 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | trans | -85.8 | 159.8 | 164.1 | 55 | 0 | 0 | 0 | 0 | 109.8 | V230 S234 M235 | V230-T232 PolarHBondContact O-N 3.28Å; T232-S234 PolarHBondContact O-N 3.24Å; T232-S234 PolarHBondContact OG1-OG 3.49Å; T232-M235 PolarHBondContact O-N 3.19Å; T232-M235 PolarHBondContact OG1-N 3.03Å | ||
| 233 | Q | 58.9 | Low | 72.4 | Confident | 175 Ų | 175 | 57.2 Ų | 57.2 | 82% | 0.818 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -52 | -38.4 | 169.5 | -93.9 | 173.3 | -22.5 | 0 | 0 | 111.5 | M235 L236 D237 | Q233-M235 VanDerWaalsContact C-N 3.28Å; Q233-M235 PolarHBondContact O-N 2.93Å; Q233-L236 WeakPolarHBondContact O-CB 3.34Å; Q233-L236 PolarHBondContact O-N 2.89Å; Q233-D237 PolarHBondContact O-N 2.94Å |
| 234 | S | 55 | Low | 70.9 | Confident | 77 Ų | 77 | 62.5 Ų | 62.5 | 54% | 0.538 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.4 | -24.4 | 177.1 | 57.7 | 0 | 0 | 0 | 0 | 115 | T232 D237 W238 | T232-S234 PolarHBondContact O-N 3.24Å; T232-S234 PolarHBondContact OG1-OG 3.49Å; S234-D237 PolarHBondContact O-N 2.91Å; S234-W238 PolarHBondContact O-N 3.42Å; S234-W238 VanDerWaalsContact O-N 3.17Å |
| 235 | M | 55.3 | Low | 69.3 | Low | 41 Ų | 41 | 63 Ų | 63 | 20% | 0.202 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.1 | -27.8 | 172.6 | -90.9 | -172.1 | -143 | 0 | 0 | 112.8 | L211 A229 V230 T232 Q233 D237 W238 | L211-M235 HydrophobicContact CD1-SD 3.86Å; L211-M235 HydrophobicContact CG-SD 4.27Å; A229-M235 HydrophobicContact CB-CE 3.84Å; V230-M235 WeakPolarHBondContact O-CE 3.47Å; T232-M235 PolarHBondContact O-N 3.19Å; T232-M235 PolarHBondContact OG1-N 3.03Å; Q233-M235 VanDerWaalsContact C-N 3.28Å; Q233-M235 PolarHBondContact O-N 2.93Å; M235-D237 VanDerWaalsContact C-N 3.32Å; M235-W238 WeakPolarHBondContact O-CB 3.3Å; M235-W238 PolarHBondContact O-N 3.33Å |
| 236 | L | 51.3 | Low | 67.9 | Low | 88 Ų | 88 | 68.9 Ų | 68.9 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 169.6 | -89.4 | 119.2 | 0 | 0 | 0 | 110.3 | Q233 W238 I239 T240 | Q233-L236 WeakPolarHBondContact O-CB 3.34Å; Q233-L236 PolarHBondContact O-N 2.89Å; L236-W238 PolarHBondContact O-N 3.29Å; L236-I239 PolarHBondContact O-N 2.94Å; L236-I239 VanDerWaalsContact O-N 3.17Å; L236-T240 PolarHBondContact O-N 3.38Å; L236-T240 PolarHBondContact O-OG1 2.86Å |
| 237 | D | 51.4 | Low | 66.8 | Low | 92 Ų | 92 | 76.5 Ų | 76.5 | 49% | 0.492 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61 | -32.9 | 175.3 | -64.2 | -31.6 | 0 | 0 | 0 | 112.3 | Q233 S234 M235 I239 T240 L241 | Q233-D237 PolarHBondContact O-N 2.94Å; S234-D237 PolarHBondContact O-N 2.91Å; M235-D237 VanDerWaalsContact C-N 3.32Å; D237-I239 PolarHBondContact O-N 3Å; D237-T240 VanDerWaalsContact CA-OG1 3.25Å; D237-T240 WeakPolarHBondContact CA-OG1 3.39Å; D237-T240 PolarHBondContact O-N 3.42Å; D237-T240 PolarHBondContact O-OG1 2.77Å; D237-L241 HydrophobicContact CB-CD1 4.34Å; D237-L241 VanDerWaalsContact O-CB 3.32Å; D237-L241 WeakPolarHBondContact O-CB 3.15Å; D237-L241 VanDerWaalsContact O-CD1 3.25Å; D237-L241 WeakPolarHBondContact O-CD1 3.4Å; D237-L241 PolarHBondContact O-N 3.49Å |
| 238 | W | 56.1 | Low | 65.7 | Low | 58 Ų | 58 | 79 Ų | 79 | 22% | 0.22 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 174.6 | 160.7 | -79.8 | 0 | 0 | 0 | 112.9 | L138 S234 M235 L236 T240 L241 K242 L245 L253 M257 | L138-W238 HydrophobicContact CD1-CH2 4Å; L138-W238 HydrophobicContact CD1-CZ2 3.35Å; L138-W238 HydrophobicContact CD2-CZ2 3.96Å; L138-W238 HydrophobicContact CG-CZ2 3.82Å; S234-W238 PolarHBondContact O-N 3.42Å; S234-W238 VanDerWaalsContact O-N 3.17Å; M235-W238 WeakPolarHBondContact O-CB 3.3Å; M235-W238 PolarHBondContact O-N 3.33Å; L236-W238 PolarHBondContact O-N 3.29Å; W238-T240 VanDerWaalsContact C-N 3.31Å; W238-T240 PolarHBondContact O-N 3.47Å; W238-L241 CarbonylContact O-C 3.46Å; W238-L241 PolarHBondContact O-N 2.97Å; W238-K242 PolarHBondContact O-N 3.23Å; W238-L245 HydrophobicContact CB-CD1 4.29Å; W238-L245 HydrophobicContact CD2-CD1 3.41Å; W238-L245 VanDerWaalsContact CD2-CD1 3.41Å; W238-L245 HydrophobicContact CE3-CD1 3.29Å; W238-L245 HydrophobicContact CE3-CD2 3.91Å; W238-L245 HydrophobicContact CE3-CG 4.22Å; W238-L245 HydrophobicContact CG-CD1 3.88Å; W238-L245 HydrophobicContact CH2-CD1 4.34Å; W238-L245 HydrophobicContact CZ2-CD1 4.46Å; W238-L245 HydrophobicContact CZ3-CD1 3.8Å; W238-L245 HydrophobicContact CZ3-CD2 3.95Å; W238-L245 HydrophobicContact CZ3-CG 4.4Å; W238-L245 VanDerWaalsContact O-CD1 3.28Å; W238-L245 WeakPolarHBondContact O-CD1 3.37Å; W238-L253 HydrophobicContact CH2-CD1 3.82Å; W238-L253 HydrophobicContact CH2-CD2 4Å; W238-L253 HydrophobicContact CH2-CG 4Å; W238-L253 HydrophobicContact CZ3-CD1 3.44Å; W238-L253 VanDerWaalsContact CZ3-CD1 3.44Å; W238-L253 HydrophobicContact CZ3-CD2 4.48Å; W238-L253 HydrophobicContact CZ3-CG 4.04Å; W238-M257 HydrophobicContact CH2-CE 4.15Å; W238-M257 HydrophobicContact CH2-CG 4.31Å; W238-M257 HydrophobicContact CH2-SD 3.42Å; W238-M257 WeakPolarHBondContact CH2-SD 3.37Å; W238-M257 HydrophobicContact CZ2-CE 4.31Å; W238-M257 HydrophobicContact CZ2-SD 4.13Å; W238-M257 HydrophobicContact CZ3-CE 4.46Å; W238-M257 HydrophobicContact CZ3-CG 3.97Å; W238-M257 HydrophobicContact CZ3-SD 3.7Å |
| 239 | I | 53.9 | Low | 65.1 | Low | 100 Ų | 100 | 82.2 Ų | 82.2 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | -178.6 | -63.4 | 172.9 | 0 | 0 | 0 | 110 | L236 D237 K242 | L236-I239 PolarHBondContact O-N 2.94Å; L236-I239 VanDerWaalsContact O-N 3.17Å; D237-I239 PolarHBondContact O-N 3Å; I239-K242 WeakPolarHBondContact O-CB 3.24Å; I239-K242 WeakPolarHBondContact O-CG 3.47Å; I239-K242 PolarHBondContact O-N 3.32Å |
| 240 | T | 55.7 | Low | 64.1 | Low | 110 Ų | 110 | 87.3 Ų | 87.3 | 68% | 0.675 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.9 | -37.3 | 174.8 | 25 | 0 | 0 | 0 | 0 | 112.4 | L236 D237 W238 K242 | L236-T240 PolarHBondContact O-N 3.38Å; L236-T240 PolarHBondContact O-OG1 2.86Å; D237-T240 VanDerWaalsContact CA-OG1 3.25Å; D237-T240 WeakPolarHBondContact CA-OG1 3.39Å; D237-T240 PolarHBondContact O-N 3.42Å; D237-T240 PolarHBondContact O-OG1 2.77Å; W238-T240 VanDerWaalsContact C-N 3.31Å; W238-T240 PolarHBondContact O-N 3.47Å; T240-K242 VanDerWaalsContact C-N 3.3Å; T240-K242 PolarHBondContact O-N 3.17Å |
| 241 | L | 59.6 | Low | 63.4 | Low | 77 Ų | 77 | 91.2 Ų | 91.2 | 40% | 0.403 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 7.1 | 176.1 | -90.3 | 102.1 | 0 | 0 | 0 | 114.4 | D237 W238 N243 L244 L245 | D237-L241 HydrophobicContact CB-CD1 4.34Å; D237-L241 VanDerWaalsContact O-CB 3.32Å; D237-L241 WeakPolarHBondContact O-CB 3.15Å; D237-L241 VanDerWaalsContact O-CD1 3.25Å; D237-L241 WeakPolarHBondContact O-CD1 3.4Å; D237-L241 PolarHBondContact O-N 3.49Å; W238-L241 CarbonylContact O-C 3.46Å; W238-L241 PolarHBondContact O-N 2.97Å; L241-N243 PolarHBondContact O-N 2.69Å; L241-L244 HydrophobicContact CD2-CB 4.04Å; L241-L244 HydrophobicContact CD2-CD2 4.16Å; L241-L244 WeakPolarHBondContact O-CA 3.15Å; L241-L244 WeakPolarHBondContact O-CB 3.39Å; L241-L244 PolarHBondContact O-N 3.48Å; L241-L245 HydrophobicContact CB-CD1 4.18Å; L241-L245 HydrophobicContact CB-CG 4.24Å; L241-L245 WeakPolarHBondContact O-CG 3.17Å; L241-L245 PolarHBondContact O-N 2.98Å |
| 242 | K | 62 | Low | 63.1 | Low | 96 Ų | 96 | 92.5 Ų | 92.5 | 42% | 0.417 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -49.7 | -35.6 | -175.5 | 75.4 | -177.8 | -174.5 | -176.8 | 0 | 114 | L138 W238 I239 T240 | L138-K242 HydrophobicContact CD1-CB 4.45Å; W238-K242 PolarHBondContact O-N 3.23Å; I239-K242 WeakPolarHBondContact O-CB 3.24Å; I239-K242 WeakPolarHBondContact O-CG 3.47Å; I239-K242 PolarHBondContact O-N 3.32Å; T240-K242 VanDerWaalsContact C-N 3.3Å; T240-K242 PolarHBondContact O-N 3.17Å |
| 243 | N | 61.5 | Low | 63.1 | Low | 103 Ų | 103 | 90.9 Ų | 90.9 | 55% | 0.551 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -77.7 | -22.6 | 179.5 | -67.7 | -10.2 | 0 | 0 | 0 | 113.1 | L241 Q246 F247 | L241-N243 PolarHBondContact O-N 2.69Å; N243-Q246 VanDerWaalsContact O-CG 3.31Å; N243-Q246 WeakPolarHBondContact O-CG 3.42Å; N243-Q246 PolarHBondContact O-NE2 3.48Å; N243-F247 VanDerWaalsContact O-CE2 3.29Å; N243-F247 WeakPolarHBondContact O-CE2 3.39Å |
| 244 | L | 65.6 | Low | 63.5 | Low | 115 Ų | 115 | 84.6 Ų | 84.6 | 60% | 0.602 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -83.9 | -36.8 | 170.6 | -99.2 | 92.6 | 0 | 0 | 0 | 111.5 | L241 Q246 F247 | L241-L244 HydrophobicContact CD2-CB 4.04Å; L241-L244 HydrophobicContact CD2-CD2 4.16Å; L241-L244 WeakPolarHBondContact O-CA 3.15Å; L241-L244 WeakPolarHBondContact O-CB 3.39Å; L241-L244 PolarHBondContact O-N 3.48Å; L244-Q246 PolarHBondContact O-N 2.77Å; L244-F247 WeakPolarHBondContact O-CB 3.11Å; L244-F247 WeakPolarHBondContact O-CD2 3.29Å; L244-F247 PolarHBondContact O-N 3.09Å |
| 245 | L | 64.9 | Low | 64.3 | Low | 17 Ų | 17 | 83 Ų | 83 | 9% | 0.089 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.5 | -27.6 | -175.9 | -72.5 | 162.3 | 0 | 0 | 0 | 113.1 | L138 W238 L241 F247 I248 L253 | L138-L245 HydrophobicContact CD1-CB 4.43Å; W238-L245 HydrophobicContact CB-CD1 4.29Å; W238-L245 HydrophobicContact CD2-CD1 3.41Å; W238-L245 VanDerWaalsContact CD2-CD1 3.41Å; W238-L245 HydrophobicContact CE3-CD1 3.29Å; W238-L245 HydrophobicContact CE3-CD2 3.91Å; W238-L245 HydrophobicContact CE3-CG 4.22Å; W238-L245 HydrophobicContact CG-CD1 3.88Å; W238-L245 HydrophobicContact CH2-CD1 4.34Å; W238-L245 HydrophobicContact CZ2-CD1 4.46Å; W238-L245 HydrophobicContact CZ3-CD1 3.8Å; W238-L245 HydrophobicContact CZ3-CD2 3.95Å; W238-L245 HydrophobicContact CZ3-CG 4.4Å; W238-L245 VanDerWaalsContact O-CD1 3.28Å; W238-L245 WeakPolarHBondContact O-CD1 3.37Å; L241-L245 HydrophobicContact CB-CD1 4.18Å; L241-L245 HydrophobicContact CB-CG 4.24Å; L241-L245 WeakPolarHBondContact O-CG 3.17Å; L241-L245 PolarHBondContact O-N 2.98Å; L245-F247 PolarHBondContact O-N 3.48Å; L245-F247 VanDerWaalsContact O-N 3.15Å; L245-I248 HydrophobicContact CD2-CD1 3.75Å; L245-I248 WeakPolarHBondContact O-CB 3.34Å; L245-I248 PolarHBondContact O-N 3.17Å; L245-L253 HydrophobicContact CB-CD1 4.37Å; L245-L253 HydrophobicContact CD2-CD1 3.64Å |
| 246 | Q | 67.5 | Low | 64.9 | Low | 123 Ų | 123 | 85.5 Ų | 85.5 | 58% | 0.575 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.9 | 174.5 | 74 | -173.6 | -19.6 | 0 | 0 | 113.6 | N243 L244 | N243-Q246 VanDerWaalsContact O-CG 3.31Å; N243-Q246 WeakPolarHBondContact O-CG 3.42Å; N243-Q246 PolarHBondContact O-NE2 3.48Å; L244-Q246 PolarHBondContact O-N 2.77Å |
| 247 | F | 74.3 | Confident | 65.5 | Low | 160 Ų | 160 | 84.3 Ų | 84.3 | 70% | 0.702 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -12.6 | 177.1 | -59.3 | -69.6 | 0 | 0 | 0 | 113.1 | N243 L244 L245 P249 | N243-F247 VanDerWaalsContact O-CE2 3.29Å; N243-F247 WeakPolarHBondContact O-CE2 3.39Å; L244-F247 WeakPolarHBondContact O-CB 3.11Å; L244-F247 WeakPolarHBondContact O-CD2 3.29Å; L244-F247 PolarHBondContact O-N 3.09Å; L245-F247 PolarHBondContact O-N 3.48Å; L245-F247 VanDerWaalsContact O-N 3.15Å; F247-P249 WeakPolarHBondContact O-CD 3.27Å |
| 248 | I | 71.7 | Confident | 66.1 | Low | 53 Ų | 53 | 83.6 Ų | 83.6 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -75 | 126.7 | 175.8 | -59 | -169.6 | 0 | 0 | 0 | 108.3 | L245 R250 L252 L253 L256 | L245-I248 HydrophobicContact CD2-CD1 3.75Å; L245-I248 WeakPolarHBondContact O-CB 3.34Å; L245-I248 PolarHBondContact O-N 3.17Å; I248-R250 PolarHBondContact O-N 3.11Å; I248-L252 HydrophobicContact CG2-CB 3.99Å; I248-L252 HydrophobicContact CG2-CD2 3.94Å; I248-L252 HydrophobicContact CG2-CG 3.94Å; I248-L253 HydrophobicContact CB-CD1 4.33Å; I248-L253 HydrophobicContact CG2-CB 4.13Å; I248-L253 HydrophobicContact CG2-CD1 4.38Å; I248-L256 HydrophobicContact CD1-CD1 4.46Å |
| 249 | P | 77.5 | Confident | 66.5 | Low | 85 Ų | 85 | 88.2 Ų | 88.2 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | trans | -54.6 | 132.9 | 175 | -25.7 | 34.2 | 0 | 0 | 0 | 111.3 | F247 P251 L252 L253 | F247-P249 WeakPolarHBondContact O-CD 3.27Å; P249-P251 VanDerWaalsContact C-CD 3.42Å; P249-P251 VanDerWaalsContact O-N 3.16Å; P249-L252 WeakPolarHBondContact O-CA 3.11Å; P249-L252 WeakPolarHBondContact O-CB 3.38Å; P249-L252 PolarHBondContact O-N 3.47Å; P249-L253 PolarHBondContact O-N 3.34Å | ||
| 250 | R | 66.9 | Low | 67 | Low | 129 Ų | 129 | 85.9 Ų | 85.9 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -45.1 | -47.8 | -176.1 | -95.3 | -175.3 | 172.9 | -157.2 | -9.1 | 115.4 | D134 D137 I248 L252 L253 V254 | D134-R250 IonicContact OD2-CZ 3.52Å; D134-R250 IonicContact OD2-NE 2.71Å; D134-R250 IonicContact OD2-NH1 3.6Å; D134-R250 PolarHBondContact OD2-NH1 3.46Å; D134-R250 IonicContact OD2-NH2 3.4Å; D134-R250 PolarHBondContact OD2-NH2 3.39Å; D137-R250 IonicContact OD2-NH2 3.99Å; I248-R250 PolarHBondContact O-N 3.11Å; R250-L252 PolarHBondContact O-N 3.14Å; R250-L253 WeakPolarHBondContact O-CB 3.36Å; R250-L253 PolarHBondContact O-N 3.35Å; R250-V254 WeakPolarHBondContact O-CG2 3.36Å; R250-V254 PolarHBondContact O-N 2.8Å |
| 251 | P | 72.2 | Confident | 67.7 | Low | 103 Ų | 103 | 87.7 Ų | 87.7 | 67% | 0.669 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60 | -37.5 | -179.2 | -22.6 | 33.2 | 0 | 0 | 0 | 112.3 | P249 A255 | P249-P251 VanDerWaalsContact C-CD 3.42Å; P249-P251 VanDerWaalsContact O-N 3.16Å; P251-A255 VanDerWaalsContact O-CB 3.32Å; P251-A255 WeakPolarHBondContact O-CB 3.35Å; P251-A255 PolarHBondContact O-N 2.89Å |
| 252 | L | 75.3 | Confident | 68.8 | Low | 95 Ų | 95 | 91.8 Ų | 91.8 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.4 | -41.6 | 177.7 | -177.5 | 60.5 | 0 | 0 | 0 | 111.2 | I248 P249 R250 V254 A255 L256 | I248-L252 HydrophobicContact CG2-CB 3.99Å; I248-L252 HydrophobicContact CG2-CD2 3.94Å; I248-L252 HydrophobicContact CG2-CG 3.94Å; P249-L252 WeakPolarHBondContact O-CA 3.11Å; P249-L252 WeakPolarHBondContact O-CB 3.38Å; P249-L252 PolarHBondContact O-N 3.47Å; R250-L252 PolarHBondContact O-N 3.14Å; L252-V254 PolarHBondContact O-N 3.34Å; L252-A255 PolarHBondContact O-N 3.19Å; L252-L256 HydrophobicContact CG-CD1 4.21Å; L252-L256 WeakPolarHBondContact O-CB 3.48Å; L252-L256 WeakPolarHBondContact O-CG 3.47Å; L252-L256 PolarHBondContact O-N 2.83Å |
| 253 | L | 69.4 | Low | 70.1 | Confident | 11 Ų | 11 | 89.4 Ų | 89.4 | 6% | 0.058 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.9 | -48 | 175.1 | -168.4 | 68 | 0 | 0 | 0 | 111.2 | W238 L245 I248 P249 R250 A255 L256 M257 | W238-L253 HydrophobicContact CH2-CD1 3.82Å; W238-L253 HydrophobicContact CH2-CD2 4Å; W238-L253 HydrophobicContact CH2-CG 4Å; W238-L253 HydrophobicContact CZ3-CD1 3.44Å; W238-L253 VanDerWaalsContact CZ3-CD1 3.44Å; W238-L253 HydrophobicContact CZ3-CD2 4.48Å; W238-L253 HydrophobicContact CZ3-CG 4.04Å; L245-L253 HydrophobicContact CB-CD1 4.37Å; L245-L253 HydrophobicContact CD2-CD1 3.64Å; I248-L253 HydrophobicContact CB-CD1 4.33Å; I248-L253 HydrophobicContact CG2-CB 4.13Å; I248-L253 HydrophobicContact CG2-CD1 4.38Å; P249-L253 PolarHBondContact O-N 3.34Å; R250-L253 WeakPolarHBondContact O-CB 3.36Å; R250-L253 PolarHBondContact O-N 3.35Å; L253-A255 VanDerWaalsContact C-N 3.34Å; L253-A255 PolarHBondContact O-N 3.43Å; L253-L256 PolarHBondContact O-N 3.11Å; L253-M257 WeakPolarHBondContact O-CG 3.47Å; L253-M257 PolarHBondContact O-N 2.92Å |
| 254 | V | 66.6 | Low | 71.6 | Confident | 44 Ų | 44 | 84.5 Ų | 84.5 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | F136 R250 L252 M257 N258 | F136-V254 HydrophobicContact CD2-CG2 3.95Å; F136-V254 HydrophobicContact CE2-CG2 4.34Å; F136-V254 HydrophobicContact CG-CG2 4.29Å; R250-V254 WeakPolarHBondContact O-CG2 3.36Å; R250-V254 PolarHBondContact O-N 2.8Å; L252-V254 PolarHBondContact O-N 3.34Å; V254-M257 PolarHBondContact O-N 2.91Å; V254-N258 WeakPolarHBondContact CG1-ND2 3.32Å; V254-N258 WeakPolarHBondContact O-CB 3.47Å; V254-N258 PolarHBondContact O-N 2.78Å; V254-N258 PolarHBondContact O-ND2 2.71Å; V254-N258 VanDerWaalsContact O-ND2 3.17Å |
| 255 | A | 71.1 | Confident | 73 | Confident | 44 Ų | 44 | 79.4 Ų | 79.4 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P251 L252 L253 M257 N258 M259 | P251-A255 VanDerWaalsContact O-CB 3.32Å; P251-A255 WeakPolarHBondContact O-CB 3.35Å; P251-A255 PolarHBondContact O-N 2.89Å; L252-A255 PolarHBondContact O-N 3.19Å; L253-A255 VanDerWaalsContact C-N 3.34Å; L253-A255 PolarHBondContact O-N 3.43Å; A255-M257 VanDerWaalsContact C-N 3.31Å; A255-M257 PolarHBondContact O-N 2.84Å; A255-N258 PolarHBondContact O-N 3.46Å; A255-M259 WeakPolarHBondContact O-CG 3.15Å; A255-M259 PolarHBondContact O-N 2.83Å; A255-M259 VanDerWaalsContact O-N 3.08Å |
| 256 | L | 68 | Low | 74.5 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 48% | 0.482 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 176.1 | -75.8 | 165.8 | 0 | 0 | 0 | 111.7 | I248 L252 L253 M259 | I248-L256 HydrophobicContact CD1-CD1 4.46Å; L252-L256 HydrophobicContact CG-CD1 4.21Å; L252-L256 WeakPolarHBondContact O-CB 3.48Å; L252-L256 WeakPolarHBondContact O-CG 3.47Å; L252-L256 PolarHBondContact O-N 2.83Å; L253-L256 PolarHBondContact O-N 3.11Å; L256-M259 WeakPolarHBondContact O-CB 3.38Å; L256-M259 PolarHBondContact O-N 2.8Å |
| 257 | M | 64.3 | Low | 75.9 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 32% | 0.315 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 175.7 | -68.4 | -174.3 | 80.3 | 0 | 0 | 112 | F136 W238 L253 V254 A255 M259 S260 | F136-M257 HydrophobicContact CD1-CE 4.13Å; F136-M257 HydrophobicContact CD1-SD 3.63Å; F136-M257 HydrophobicContact CE1-CE 4.08Å; F136-M257 HydrophobicContact CE1-SD 3.93Å; W238-M257 HydrophobicContact CH2-CE 4.15Å; W238-M257 HydrophobicContact CH2-CG 4.31Å; W238-M257 HydrophobicContact CH2-SD 3.42Å; W238-M257 WeakPolarHBondContact CH2-SD 3.37Å; W238-M257 HydrophobicContact CZ2-CE 4.31Å; W238-M257 HydrophobicContact CZ2-SD 4.13Å; W238-M257 HydrophobicContact CZ3-CE 4.46Å; W238-M257 HydrophobicContact CZ3-CG 3.97Å; W238-M257 HydrophobicContact CZ3-SD 3.7Å; L253-M257 WeakPolarHBondContact O-CG 3.47Å; L253-M257 PolarHBondContact O-N 2.92Å; V254-M257 PolarHBondContact O-N 2.91Å; A255-M257 VanDerWaalsContact C-N 3.31Å; A255-M257 PolarHBondContact O-N 2.84Å; M257-M259 PolarHBondContact O-N 3.33Å; M257-S260 WeakPolarHBondContact O-CB 3.13Å; M257-S260 PolarHBondContact O-N 3Å; M257-S260 PolarHBondContact O-OG 2.9Å |
| 258 | N | 64.9 | Low | 77.1 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 41% | 0.406 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66 | -19.8 | 175.9 | -72.8 | -30.4 | 0 | 0 | 0 | 113.3 | V254 A255 S260 R306 | V254-N258 WeakPolarHBondContact CG1-ND2 3.32Å; V254-N258 WeakPolarHBondContact O-CB 3.47Å; V254-N258 PolarHBondContact O-N 2.78Å; V254-N258 PolarHBondContact O-ND2 2.71Å; V254-N258 VanDerWaalsContact O-ND2 3.17Å; A255-N258 PolarHBondContact O-N 3.46Å; N258-S260 PolarHBondContact O-N 2.85Å; N258-R306 PolarHBondContact OD1-NH1 2.96Å; N258-R306 PolarHBondContact OD1-NH2 2.96Å |
| 259 | M | 64.5 | Low | 78.3 | Confident | 155 Ų | 155 | 64.3 Ų | 64.3 | 76% | 0.764 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -1.9 | 172 | -70.4 | 177.9 | 56.2 | 0 | 0 | 113.2 | A255 L256 M257 | A255-M259 WeakPolarHBondContact O-CG 3.15Å; A255-M259 PolarHBondContact O-N 2.83Å; A255-M259 VanDerWaalsContact O-N 3.08Å; L256-M259 WeakPolarHBondContact O-CB 3.38Å; L256-M259 PolarHBondContact O-N 2.8Å; M257-M259 PolarHBondContact O-N 3.33Å |
| 260 | S | 63.7 | Low | 79.2 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -57.9 | 143.2 | 178.3 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | M257 N258 R262 | M257-S260 WeakPolarHBondContact O-CB 3.13Å; M257-S260 PolarHBondContact O-N 3Å; M257-S260 PolarHBondContact O-OG 2.9Å; N258-S260 PolarHBondContact O-N 2.85Å; S260-R262 PolarHBondContact O-N 2.83Å |
| 261 | Y | 71.1 | Confident | 80.4 | Confident | 147 Ų | 147 | 59.1 Ų | 59.1 | 58% | 0.576 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -53 | 122 | -179.9 | -170.9 | -106.1 | 0 | 0 | 0 | 111 | Y263 P282 | Y261-Y263 HydrophobicContact CD1-CD2 4.1Å; Y261-Y263 AromaticContact CE1-CD2 3.78Å; Y261-Y263 HydrophobicContact CE1-CD2 3.78Å; Y261-Y263 PolarHBondContact O-N 3.21Å; Y261-P282 WeakPolarHBondContact CE1-O 3.27Å; Y261-P282 PolarHBondContact OH-O 3.2Å |
| 262 | R | 81.5 | Confident | 81.4 | Confident | 163 Ų | 163 | 60.2 Ų | 60.2 | 62% | 0.615 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 129.1 | 177 | -71.9 | -175.8 | 166.3 | 170 | -1.9 | 109.5 | S260 D283 | S260-R262 PolarHBondContact O-N 2.83Å; R262-D283 CarbonylContact O-C 3.52Å |
| 263 | Y | 89.8 | Confident | 82.3 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 18% | 0.18 | 28% | 0.28 | C | S | . | . | trans | -153.6 | 130.7 | 179.6 | -157.1 | -68.5 | 0 | 0 | 0 | 108.8 | V230 Y261 L265 H280 P282 T288 | V230-Y263 HydrophobicContact CB-CG 4.23Å; V230-Y263 HydrophobicContact CG1-CD1 3.39Å; V230-Y263 HydrophobicContact CG1-CD2 4Å; V230-Y263 HydrophobicContact CG1-CE1 4Å; V230-Y263 HydrophobicContact CG1-CG 3.43Å; V230-Y263 VanDerWaalsContact CG1-CG 3.43Å; V230-Y263 HydrophobicContact CG2-CD2 3.9Å; V230-Y263 HydrophobicContact CG2-CG 3.78Å; Y261-Y263 HydrophobicContact CD1-CD2 4.1Å; Y261-Y263 AromaticContact CE1-CD2 3.78Å; Y261-Y263 HydrophobicContact CE1-CD2 3.78Å; Y261-Y263 PolarHBondContact O-N 3.21Å; Y263-L265 HydrophobicContact CD1-CB 3.95Å; Y263-L265 HydrophobicContact CE1-CB 4.03Å; Y263-H280 HydrophobicContact CE1-CB 4.32Å; Y263-H280 AromaticContact CE1-ND1 3.63Å; Y263-H280 AromaticContact CZ-ND1 3.64Å; Y263-H280 PolarHBondContact OH-ND1 2.89Å; Y263-P282 WeakPolarHBondContact CD2-O 3.46Å; Y263-P282 HydrophobicContact CE2-CB 3.87Å; Y263-T288 PolarHBondContact N-OG1 2.85Å | ||
| 264 | G | 92.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M1 H280 D281 V287 | M1-G264 WeakPolarHBondContact CE-O 3.48Å; G264-H280 CarbonylContact O-C 3.57Å; G264-H280 WeakPolarHBondContact O-CA 3.41Å; G264-D281 PolarHBondContact N-O 3.35Å; G264-D281 PolarHBondContact O-N 3Å; G264-V287 VanDerWaalsContact CA-O 3.22Å; G264-V287 WeakPolarHBondContact CA-O 3.44Å; G264-V287 PolarHBondContact N-O 2.85Å |
| 265 | L | 95.2 | Very high | 85.1 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 131.9 | 175.2 | -178.2 | 57.6 | 0 | 0 | 0 | 110.5 | C210 C227 V230 Y263 L267 L279 | C210-L265 HydrophobicContact CB-CD2 3.89Å; C227-L265 HydrophobicContact CB-CB 3.86Å; C227-L265 HydrophobicContact CB-CG 4.22Å; C227-L265 WeakPolarHBondContact CB-O 3.35Å; C227-L265 PolarHBondContact N-O 2.78Å; V230-L265 HydrophobicContact CG1-CB 4.2Å; V230-L265 HydrophobicContact CG1-CD2 3.97Å; Y263-L265 HydrophobicContact CD1-CB 3.95Å; Y263-L265 HydrophobicContact CE1-CB 4.03Å; L265-L267 HydrophobicContact CD1-CD2 3.77Å; L265-L267 HydrophobicContact CD1-CG 4.35Å; L265-L267 HydrophobicContact CD2-CD2 4.39Å; L265-L267 HydrophobicContact CG-CD2 4.13Å; L265-L267 HydrophobicContact CG-CG 4.22Å; L265-L279 WeakPolarHBondContact CA-O 3.22Å; L265-L279 VanDerWaalsContact CD1-O 3.28Å; L265-L279 WeakPolarHBondContact CD1-O 3.33Å |
| 266 | A | 96.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | M1 W224 A278 L279 I290 V293 F302 | M1-A266 HydrophobicContact CE-CB 4.3Å; W224-A266 HydrophobicContact CE3-CB 4.25Å; W224-A266 HydrophobicContact CZ3-CB 4.11Å; A266-A278 WeakPolarHBondContact O-CA 3.25Å; A266-L279 HydrophobicContact CB-CB 4.28Å; A266-L279 PolarHBondContact N-O 3.02Å; A266-L279 PolarHBondContact O-N 2.86Å; A266-I290 HydrophobicContact CB-CD1 4.44Å; A266-V293 HydrophobicContact CB-CG2 3.64Å; A266-F302 HydrophobicContact CB-CE1 4.26Å |
| 267 | L | 97.6 | Very high | 87.7 | Confident | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.6 | -175.7 | -58.9 | 173.5 | 0 | 0 | 0 | 109.3 | L208 W224 V225 L265 F269 A278 | L208-L267 HydrophobicContact CD2-CD1 4.27Å; W224-L267 CarbonylContact C-O 3.51Å; W224-L267 WeakPolarHBondContact CA-O 3Å; V225-L267 HydrophobicContact CB-CB 4.48Å; V225-L267 PolarHBondContact N-O 2.77Å; V225-L267 PolarHBondContact O-N 3.33Å; L265-L267 HydrophobicContact CD1-CD2 3.77Å; L265-L267 HydrophobicContact CD1-CG 4.35Å; L265-L267 HydrophobicContact CD2-CD2 4.39Å; L265-L267 HydrophobicContact CG-CD2 4.13Å; L265-L267 HydrophobicContact CG-CG 4.22Å; L267-F269 HydrophobicContact CB-CD2 4.15Å; L267-F269 HydrophobicContact CB-CE2 3.36Å; L267-F269 HydrophobicContact CB-CZ 3.94Å; L267-F269 HydrophobicContact CD1-CE2 3.99Å; L267-F269 HydrophobicContact CD1-CZ 3.96Å; L267-F269 HydrophobicContact CG-CE2 4.3Å; L267-A278 HydrophobicContact CD2-CB 3.75Å |
| 268 | L | 98 | Very high | 89.2 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.6 | 173.3 | -174.3 | 62.1 | 0 | 0 | 0 | 109 | N222 L223 W224 R275 L276 K277 | N222-L268 HydrophobicContact CB-CD1 3.56Å; N222-L268 HydrophobicContact CB-CD2 4.48Å; N222-L268 HydrophobicContact CB-CG 4.04Å; L223-L268 WeakPolarHBondContact O-CA 3.46Å; W224-L268 HydrophobicContact CD2-CB 4.16Å; W224-L268 HydrophobicContact CD2-CD1 3.71Å; W224-L268 HydrophobicContact CD2-CG 4.44Å; W224-L268 HydrophobicContact CE3-CB 3.86Å; W224-L268 HydrophobicContact CE3-CD1 4.26Å; W224-L268 HydrophobicContact CG-CD1 3.84Å; W224-L268 HydrophobicContact CH2-CB 3.85Å; W224-L268 HydrophobicContact CH2-CD2 4.36Å; W224-L268 HydrophobicContact CZ2-CB 4.14Å; W224-L268 HydrophobicContact CZ2-CD1 4.25Å; W224-L268 HydrophobicContact CZ2-CD2 3.99Å; W224-L268 HydrophobicContact CZ2-CG 4.36Å; W224-L268 HydrophobicContact CZ3-CB 3.7Å; L268-R275 CarbonylContact O-C 3.48Å; L268-R275 WeakPolarHBondContact O-CA 3.25Å; L268-L276 HydrophobicContact CB-CB 4.48Å; L268-L276 HydrophobicContact CD2-CB 4.21Å; L268-L276 HydrophobicContact CD2-CD1 4.38Å; L268-L276 HydrophobicContact CG-CB 4.23Å; L268-L276 HydrophobicContact CG-CD1 4.39Å; L268-L276 PolarHBondContact O-N 3.03Å; L268-K277 HydrophobicContact CB-CB 3.92Å; L268-K277 HydrophobicContact CD2-CB 4.34Å; L268-K277 HydrophobicContact CD2-CD 4.16Å; L268-K277 HydrophobicContact CD2-CG 4.28Å; L268-K277 PolarHBondContact N-O 2.89Å; L268-K277 PolarHBondContact O-N 2.65Å |
| 269 | F | 98.2 | Very high | 90.6 | Very high | 13 Ų | 13 | 67.6 Ų | 67.6 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.3 | 177.9 | -62.3 | -91 | 0 | 0 | 0 | 111 | L205 L208 N222 L223 V225 L267 R274 R275 | L205-F269 HydrophobicContact CD1-CB 4.27Å; L205-F269 HydrophobicContact CD1-CD1 3.8Å; L205-F269 HydrophobicContact CD1-CD2 3.55Å; L205-F269 HydrophobicContact CD1-CE1 3.92Å; L205-F269 HydrophobicContact CD1-CE2 3.65Å; L205-F269 HydrophobicContact CD1-CG 3.61Å; L205-F269 HydrophobicContact CD1-CZ 3.85Å; L205-F269 HydrophobicContact CD2-CD1 3.88Å; L205-F269 HydrophobicContact CD2-CE1 4.08Å; L205-F269 HydrophobicContact CD2-CG 4.38Å; L208-F269 HydrophobicContact CD2-CE2 4.2Å; L208-F269 HydrophobicContact CD2-CZ 3.73Å; N222-F269 CarbonylContact C-O 3.53Å; N222-F269 WeakPolarHBondContact CA-O 2.94Å; N222-F269 VanDerWaalsContact CB-O 3.32Å; N222-F269 WeakPolarHBondContact CB-O 3.44Å; L223-F269 PolarHBondContact N-O 3.31Å; L223-F269 PolarHBondContact O-N 2.97Å; V225-F269 HydrophobicContact CB-CD2 4.47Å; V225-F269 HydrophobicContact CB-CE2 4.28Å; V225-F269 HydrophobicContact CG2-CD2 3.9Å; V225-F269 HydrophobicContact CG2-CE2 4.06Å; L267-F269 HydrophobicContact CB-CD2 4.15Å; L267-F269 HydrophobicContact CB-CE2 3.36Å; L267-F269 HydrophobicContact CB-CZ 3.94Å; L267-F269 HydrophobicContact CD1-CE2 3.99Å; L267-F269 HydrophobicContact CD1-CZ 3.96Å; L267-F269 HydrophobicContact CG-CE2 4.3Å; F269-R274 CarbonylContact C-O 3.56Å; F269-R274 VanDerWaalsContact CA-O 3.26Å; F269-R274 WeakPolarHBondContact CA-O 3.41Å; F269-R275 HydrophobicContact CD1-CB 3.87Å; F269-R275 HydrophobicContact CD1-CG 4.42Å; F269-R275 HydrophobicContact CE1-CB 3.65Å; F269-R275 HydrophobicContact CE1-CG 4.06Å; F269-R275 HydrophobicContact CZ-CB 4.44Å; F269-R275 HydrophobicContact CZ-CG 4.39Å |
| 270 | D | 96.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | trans | -81.1 | 176.9 | 166.8 | 66.1 | 17.6 | 0 | 0 | 0 | 112.1 | F204 N222 Q272 G273 R274 L276 | F204-D270 WeakPolarHBondContact CZ-O 3.27Å; N222-D270 WeakPolarHBondContact OD1-CA 3.33Å; D270-Q272 PolarHBondContact O-N 2.69Å; D270-Q272 VanDerWaalsContact O-N 3.17Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.35Å; D270-Q272 PolarHBondContact OD1-N 3.04Å; D270-Q272 PolarHBondContact OD2-OE1 2.91Å; D270-G273 PolarHBondContact O-N 3.01Å; D270-G273 PolarHBondContact OD1-N 3.08Å; D270-R274 PolarHBondContact N-O 3.22Å; D270-R274 WeakPolarHBondContact OD1-CB 3.46Å; D270-R274 PolarHBondContact OD1-N 3.18Å; D270-R274 IonicContact OD1-NE 3.89Å; D270-R274 WeakPolarHBondContact OD2-CB 2.99Å; D270-R274 IonicContact OD2-CZ 3.12Å; D270-R274 IonicContact OD2-NE 2.69Å; D270-R274 PolarHBondContact OD2-NE 3.27Å; D270-R274 IonicContact OD2-NH2 2.73Å; D270-R274 PolarHBondContact OD2-NH2 3.18Å; D270-L276 HydrophobicContact CB-CD1 4.09Å; D270-L276 HydrophobicContact CB-CD2 4.28Å; D270-L276 HydrophobicContact CB-CG 4.24Å | ||
| 271 | E | 91.1 | Very high | 93.5 | Very high | 98 Ų | 98 | 61.8 Ų | 61.8 | 46% | 0.458 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.6 | 178 | -65.4 | 175.9 | 174.7 | 0 | 0 | 114.1 | F204 | F204-E271 WeakPolarHBondContact CE2-O 3.4Š|
| 272 | Q | 92.6 | Very high | 94.5 | Very high | 125 Ų | 125 | 57.9 Ų | 57.9 | 58% | 0.584 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 1 | 174.8 | -62.1 | 79.2 | 45.7 | 0 | 0 | 112.2 | D270 R274 | D270-Q272 PolarHBondContact O-N 2.69Å; D270-Q272 VanDerWaalsContact O-N 3.17Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.35Å; D270-Q272 PolarHBondContact OD1-N 3.04Å; D270-Q272 PolarHBondContact OD2-OE1 2.91Å; Q272-R274 VanDerWaalsContact C-N 3.34Å |
| 273 | G | 95.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 19% | 0.186 | 26% | 0.256 | C | S | . | . | trans | 78.3 | 15.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | L205 D270 | L205-G273 WeakPolarHBondContact CD2-O 3.44Å; D270-G273 PolarHBondContact O-N 3.01Å; D270-G273 PolarHBondContact OD1-N 3.08Å | ||
| 274 | R | 97 | Very high | 94.7 | Very high | 160 Ų | 160 | 51.6 Ų | 51.6 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | trans | -79.2 | 131.5 | 172.6 | -56.8 | 179.1 | -64.7 | 178 | -0.1 | 108.9 | F269 D270 Q272 L276 | F269-R274 CarbonylContact C-O 3.56Å; F269-R274 VanDerWaalsContact CA-O 3.26Å; F269-R274 WeakPolarHBondContact CA-O 3.41Å; D270-R274 PolarHBondContact N-O 3.22Å; D270-R274 WeakPolarHBondContact OD1-CB 3.46Å; D270-R274 PolarHBondContact OD1-N 3.18Å; D270-R274 IonicContact OD1-NE 3.89Å; D270-R274 WeakPolarHBondContact OD2-CB 2.99Å; D270-R274 IonicContact OD2-CZ 3.12Å; D270-R274 IonicContact OD2-NE 2.69Å; D270-R274 PolarHBondContact OD2-NE 3.27Å; D270-R274 IonicContact OD2-NH2 2.73Å; D270-R274 PolarHBondContact OD2-NH2 3.18Å; Q272-R274 VanDerWaalsContact C-N 3.34Å; R274-L276 PolarHBondContact O-N 3.16Å | ||
| 275 | R | 97.4 | Very high | 94.4 | Very high | 151 Ų | 151 | 59.3 Ų | 59.3 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 114 | 177.9 | -172.7 | -173.7 | 67.3 | -151.7 | -2.8 | 110.1 | L268 F269 | L268-R275 CarbonylContact O-C 3.48Å; L268-R275 WeakPolarHBondContact O-CA 3.25Å; F269-R275 HydrophobicContact CD1-CB 3.87Å; F269-R275 HydrophobicContact CD1-CG 4.42Å; F269-R275 HydrophobicContact CE1-CB 3.65Å; F269-R275 HydrophobicContact CE1-CG 4.06Å; F269-R275 HydrophobicContact CZ-CB 4.44Å; F269-R275 HydrophobicContact CZ-CG 4.39Å |
| 276 | L | 96.8 | Very high | 94.1 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -43.1 | 177.5 | -57.6 | -177 | 0 | 0 | 0 | 112.3 | N222 L268 D270 R274 | N222-L276 HydrophobicContact CB-CD1 4.15Å; N222-L276 VanDerWaalsContact CG-CD1 3.47Å; N222-L276 VanDerWaalsContact OD1-CD1 3.31Å; N222-L276 WeakPolarHBondContact OD1-CD1 3.49Å; L268-L276 HydrophobicContact CB-CB 4.48Å; L268-L276 HydrophobicContact CD2-CB 4.21Å; L268-L276 HydrophobicContact CD2-CD1 4.38Å; L268-L276 HydrophobicContact CG-CB 4.23Å; L268-L276 HydrophobicContact CG-CD1 4.39Å; L268-L276 PolarHBondContact O-N 3.03Å; D270-L276 HydrophobicContact CB-CD1 4.09Å; D270-L276 HydrophobicContact CB-CD2 4.28Å; D270-L276 HydrophobicContact CB-CG 4.24Å; R274-L276 PolarHBondContact O-N 3.16Å |
| 277 | K | 95.9 | Very high | 93.8 | Very high | 103 Ų | 103 | 61 Ų | 61 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 152.2 | -179.3 | -65.6 | -178.8 | -179.5 | 172.8 | 0 | 111.1 | W224 L268 | W224-K277 HydrophobicContact CH2-CB 4.39Å; L268-K277 HydrophobicContact CB-CB 3.92Å; L268-K277 HydrophobicContact CD2-CB 4.34Å; L268-K277 HydrophobicContact CD2-CD 4.16Å; L268-K277 HydrophobicContact CD2-CG 4.28Å; L268-K277 PolarHBondContact N-O 2.89Å; L268-K277 PolarHBondContact O-N 2.65Å |
| 278 | A | 95.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 61.6 Ų | 61.6 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 117.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | A266 L267 H280 | A266-A278 WeakPolarHBondContact O-CA 3.25Å; L267-A278 HydrophobicContact CD2-CB 3.75Å; A278-H280 WeakPolarHBondContact CB-NE2 3.41Å; A278-H280 PolarHBondContact O-CD2 3.47Å |
| 279 | L | 95.8 | Very high | 92.9 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.4 | 176.9 | -59.6 | -179.6 | 0 | 0 | 0 | 107.9 | M1 W224 L265 A266 L300 F302 | M1-L279 HydrophobicContact CE-CB 3.68Å; M1-L279 WeakPolarHBondContact CE-O 3.41Å; M1-L279 HydrophobicContact CG-CB 3.9Å; M1-L279 HydrophobicContact SD-CB 4.45Å; W224-L279 HydrophobicContact CH2-CD1 3.67Å; W224-L279 HydrophobicContact CH2-CG 4.04Å; W224-L279 HydrophobicContact CZ3-CD1 4.03Å; W224-L279 HydrophobicContact CZ3-CG 4.26Å; L265-L279 WeakPolarHBondContact CA-O 3.22Å; L265-L279 VanDerWaalsContact CD1-O 3.28Å; L265-L279 WeakPolarHBondContact CD1-O 3.33Å; A266-L279 HydrophobicContact CB-CB 4.28Å; A266-L279 PolarHBondContact N-O 3.02Å; A266-L279 PolarHBondContact O-N 2.86Å; L279-L300 HydrophobicContact CD1-CD1 3.51Å; L279-F302 HydrophobicContact CD1-CE1 4.17Å; L279-F302 HydrophobicContact CD1-CZ 4.04Å |
| 280 | H | 95 | Very high | 92.7 | Very high | 79 Ų | 79 | 61.8 Ų | 61.8 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.1 | -177.1 | -64.2 | -97.3 | 0 | 0 | 0 | 111.3 | M1 Y263 G264 A278 P282 | M1-H280 PolarHBondContact N-O 3.09Å; Y263-H280 HydrophobicContact CE1-CB 4.32Å; Y263-H280 AromaticContact CE1-ND1 3.63Å; Y263-H280 AromaticContact CZ-ND1 3.64Å; Y263-H280 PolarHBondContact OH-ND1 2.89Å; G264-H280 CarbonylContact O-C 3.57Å; G264-H280 WeakPolarHBondContact O-CA 3.41Å; A278-H280 WeakPolarHBondContact CB-NE2 3.41Å; A278-H280 PolarHBondContact O-CD2 3.47Å; H280-P282 HydrophobicContact CB-CG 4.33Å |
| 281 | D | 94 | Very high | 92.6 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.032 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 83.4 | 160.7 | -172.6 | -2.3 | 0 | 0 | 0 | 107.6 | M1 G264 D283 G284 K285 V286 V287 | M1-D281 HydrophobicContact CB-CB 4.34Å; M1-D281 HydrophobicContact SD-CB 4.38Å; G264-D281 PolarHBondContact N-O 3.35Å; G264-D281 PolarHBondContact O-N 3Å; D281-D283 VanDerWaalsContact C-N 3.26Å; D281-D283 PolarHBondContact O-N 3.12Å; D281-G284 PolarHBondContact O-N 3.35Å; D281-G284 PolarHBondContact OD1-N 2.87Å; D281-K285 PolarHBondContact OD2-N 2.86Å; D281-V286 VanDerWaalsContact OD2-CA 3.28Å; D281-V286 WeakPolarHBondContact OD2-CA 3.39Å; D281-V286 VanDerWaalsContact OD2-CB 3.27Å; D281-V286 WeakPolarHBondContact OD2-CB 3.41Å; D281-V286 PolarHBondContact OD2-N 3.12Å; D281-V287 WeakPolarHBondContact CB-O 3.27Å; D281-V287 PolarHBondContact OD2-N 3.22Å; D281-V287 VanDerWaalsContact OD2-O 3.11Å |
| 282 | P | 90.8 | Very high | 92.8 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.9 | -165.8 | -25.2 | 35 | 0 | 0 | 0 | 115.4 | Y261 Y263 H280 | Y261-P282 WeakPolarHBondContact CE1-O 3.27Å; Y261-P282 PolarHBondContact OH-O 3.2Å; Y263-P282 WeakPolarHBondContact CD2-O 3.46Å; Y263-P282 HydrophobicContact CE2-CB 3.87Å; H280-P282 HydrophobicContact CB-CG 4.33Å |
| 283 | D | 88.3 | Confident | 93 | Very high | 69 Ų | 69 | 50.8 Ų | 50.8 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 0.4 | 176.7 | 59.3 | 19.6 | 0 | 0 | 0 | 112.7 | R262 D281 K285 | R262-D283 CarbonylContact O-C 3.52Å; D281-D283 VanDerWaalsContact C-N 3.26Å; D281-D283 PolarHBondContact O-N 3.12Å; D283-K285 HydrophobicContact CB-CD 4.41Å; D283-K285 HydrophobicContact CB-CG 4.15Å; D283-K285 VanDerWaalsContact CG-CD 3.48Å; D283-K285 VanDerWaalsContact CG-CG 3.44Å; D283-K285 PolarHBondContact O-N 3.17Å; D283-K285 VanDerWaalsContact O-N 3.12Å; D283-K285 VanDerWaalsContact OD1-CB 3.28Å; D283-K285 WeakPolarHBondContact OD1-CB 3.39Å; D283-K285 VanDerWaalsContact OD1-CG 3.26Å; D283-K285 WeakPolarHBondContact OD1-CG 3.14Å; D283-K285 PolarHBondContact OD1-N 3.5Å; D283-K285 VanDerWaalsContact OD1-N 3.14Å; D283-K285 WeakPolarHBondContact OD2-CD 3.43Å; D283-K285 WeakPolarHBondContact OD2-CE 3.47Å; D283-K285 IonicContact OD2-NZ 3.57Å; D283-K285 PolarHBondContact OD2-NZ 3.22Å |
| 284 | G | 86.8 | Confident | 92.9 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | trans | 55.8 | 25.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D281 | D281-G284 PolarHBondContact O-N 3.35Å; D281-G284 PolarHBondContact OD1-N 2.87Å | ||
| 285 | K | 87.9 | Confident | 92.8 | Very high | 163 Ų | 163 | 43.9 Ų | 43.9 | 71% | 0.709 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -73 | -33.9 | -175.7 | -78.1 | 179.4 | -169.4 | 146.1 | 0 | 112.5 | D281 D283 | D281-K285 PolarHBondContact OD2-N 2.86Å; D283-K285 HydrophobicContact CB-CD 4.41Å; D283-K285 HydrophobicContact CB-CG 4.15Å; D283-K285 VanDerWaalsContact CG-CD 3.48Å; D283-K285 VanDerWaalsContact CG-CG 3.44Å; D283-K285 PolarHBondContact O-N 3.17Å; D283-K285 VanDerWaalsContact O-N 3.12Å; D283-K285 VanDerWaalsContact OD1-CB 3.28Å; D283-K285 WeakPolarHBondContact OD1-CB 3.39Å; D283-K285 VanDerWaalsContact OD1-CG 3.26Å; D283-K285 WeakPolarHBondContact OD1-CG 3.14Å; D283-K285 PolarHBondContact OD1-N 3.5Å; D283-K285 VanDerWaalsContact OD1-N 3.14Å; D283-K285 WeakPolarHBondContact OD2-CD 3.43Å; D283-K285 WeakPolarHBondContact OD2-CE 3.47Å; D283-K285 IonicContact OD2-NZ 3.57Å; D283-K285 PolarHBondContact OD2-NZ 3.22Å |
| 286 | V | 89.1 | Confident | 92.4 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 24% | 0.242 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -99.5 | -49.9 | -175.4 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | C4 D281 K311 | C4-V286 HydrophobicContact CB-CG1 3.49Å; C4-V286 VanDerWaalsContact CB-CG1 3.49Å; D281-V286 VanDerWaalsContact OD2-CA 3.28Å; D281-V286 WeakPolarHBondContact OD2-CA 3.39Å; D281-V286 VanDerWaalsContact OD2-CB 3.27Å; D281-V286 WeakPolarHBondContact OD2-CB 3.41Å; D281-V286 PolarHBondContact OD2-N 3.12Å; V286-K311 VanDerWaalsContact O-CD 3.32Å; V286-K311 WeakPolarHBondContact O-CD 3.27Å; V286-K311 WeakPolarHBondContact O-CE 3.29Å; V286-K311 PolarHBondContact O-NZ 3.37Å |
| 287 | V | 89.7 | Confident | 92.1 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -135.2 | 130 | -179.7 | -166.5 | 0 | 0 | 0 | 0 | 108.3 | M1 C4 G264 D281 I290 F302 K311 | M1-V287 HydrophobicContact CB-CG2 4.4Å; M1-V287 HydrophobicContact SD-CB 3.86Å; M1-V287 HydrophobicContact SD-CG1 4.2Å; M1-V287 HydrophobicContact SD-CG2 4.04Å; C4-V287 HydrophobicContact CB-CG2 3.95Å; G264-V287 VanDerWaalsContact CA-O 3.22Å; G264-V287 WeakPolarHBondContact CA-O 3.44Å; G264-V287 PolarHBondContact N-O 2.85Å; D281-V287 WeakPolarHBondContact CB-O 3.27Å; D281-V287 PolarHBondContact OD2-N 3.22Å; D281-V287 VanDerWaalsContact OD2-O 3.11Å; V287-I290 HydrophobicContact CB-CD1 4.48Å; V287-I290 HydrophobicContact CG1-CD1 3.57Å; V287-I290 HydrophobicContact CG1-CG1 3.59Å; V287-F302 HydrophobicContact CG1-CB 3.77Å; V287-F302 HydrophobicContact CG1-CG 4.06Å; V287-F302 HydrophobicContact CG2-CD2 4.42Å; V287-K311 HydrophobicContact CG2-CB 3.91Å; V287-K311 HydrophobicContact CG2-CG 4.08Å |
| 288 | T | 89.7 | Confident | 91.8 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | trans | -146.4 | 159 | 176.6 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | Y263 I290 S304 | Y263-T288 PolarHBondContact N-OG1 2.85Å; T288-I290 PolarHBondContact O-N 2.99Å; T288-S304 PolarHBondContact O-OG 2.79Å | ||
| 289 | E | 87.5 | Confident | 91.7 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 54.3 | 57.8 | 174 | -68.5 | 173.1 | 129.9 | 0 | 0 | 111 | A228 S291 S304 F305 R306 | A228-E289 WeakPolarHBondContact O-CA 3.37Å; E289-S291 PolarHBondContact O-N 2.75Å; E289-S304 VanDerWaalsContact O-CA 3.25Å; E289-S304 WeakPolarHBondContact O-CA 3.41Å; E289-S304 WeakPolarHBondContact O-CB 3.44Å; E289-S304 PolarHBondContact O-OG 2.98Å; E289-S304 VanDerWaalsContact O-OG 3.14Å; E289-F305 HydrophobicContact CB-CD2 4.35Å; E289-F305 HydrophobicContact CB-CE1 3.89Å; E289-F305 HydrophobicContact CB-CE2 3.7Å; E289-F305 HydrophobicContact CB-CZ 3.44Å; E289-F305 VanDerWaalsContact CB-CZ 3.44Å; E289-F305 VanDerWaalsContact CD-CE2 3.46Å; E289-F305 HydrophobicContact CG-CE2 3.78Å; E289-F305 HydrophobicContact CG-CZ 3.69Å; E289-F305 VanDerWaalsContact OE1-CE2 3.27Å; E289-F305 WeakPolarHBondContact OE1-CE2 3.39Å; E289-R306 IonicContact OE1-CZ 2.83Å; E289-R306 IonicContact OE1-NE 3.34Å; E289-R306 PolarHBondContact OE1-NE 2.74Å; E289-R306 IonicContact OE1-NH2 3.27Å; E289-R306 WeakPolarHBondContact OE2-CB 3.32Å; E289-R306 WeakPolarHBondContact OE2-CD 3.13Å; E289-R306 WeakPolarHBondContact OE2-CG 3Å; E289-R306 IonicContact OE2-NE 2.68Å; E289-R306 PolarHBondContact OE2-NE 3.1Å |
| 290 | I | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.1 | -172.6 | -57.4 | -178.8 | 0 | 0 | 0 | 107.9 | M1 A226 C227 A228 A266 V287 T288 E292 V293 F302 G303 | M1-I290 HydrophobicContact CE-CD1 3.61Å; M1-I290 HydrophobicContact SD-CD1 3.91Å; A226-I290 HydrophobicContact CB-CG2 3.89Å; C227-I290 CarbonylContact C-O 3.59Å; C227-I290 PolarHBondContact N-O 3.32Å; C227-I290 PolarHBondContact O-N 3.11Å; A228-I290 PolarHBondContact N-O 2.99Å; A266-I290 HydrophobicContact CB-CD1 4.44Å; V287-I290 HydrophobicContact CB-CD1 4.48Å; V287-I290 HydrophobicContact CG1-CD1 3.57Å; V287-I290 HydrophobicContact CG1-CG1 3.59Å; T288-I290 PolarHBondContact O-N 2.99Å; I290-E292 WeakPolarHBondContact CG2-O 3.49Å; I290-V293 HydrophobicContact CG2-CG2 3.94Å; I290-F302 HydrophobicContact CD1-CD1 4Å; I290-F302 HydrophobicContact CG2-CB 4.43Å; I290-F302 HydrophobicContact CG2-CD1 4.3Å; I290-G303 WeakPolarHBondContact CA-O 3.49Å |
| 291 | S | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -30.6 | 177.1 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | E16 D213 N214 A226 E289 G303 S304 | E16-S291 WeakPolarHBondContact CA-OG 3.27Å; E16-S291 WeakPolarHBondContact O-CB 3.04Å; E16-S291 PolarHBondContact O-OG 2.83Å; D213-S291 WeakPolarHBondContact CB-O 3.17Å; N214-S291 WeakPolarHBondContact CB-O 3.12Å; N214-S291 PolarHBondContact N-O 2.61Å; A226-S291 VanDerWaalsContact CB-C 3.44Å; A226-S291 WeakPolarHBondContact CB-O 3.23Å; E289-S291 PolarHBondContact O-N 2.75Å; S291-G303 PolarHBondContact N-O 2.82Å; S291-G303 PolarHBondContact OG-O 2.89Å; S291-S304 WeakPolarHBondContact OG-CA 3.33Å; S291-S304 PolarHBondContact OG-N 2.88Å; S291-S304 VanDerWaalsContact OG-N 3.11Å |
| 292 | E | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 151.9 | -177.5 | -164.7 | -174.6 | 83.8 | 0 | 0 | 110.8 | S17 I18 N214 R216 I290 F302 G303 | S17-E292 WeakPolarHBondContact CA-OE2 3.35Å; S17-E292 VanDerWaalsContact CB-OE2 3.27Å; S17-E292 WeakPolarHBondContact CB-OE2 3.35Å; S17-E292 PolarHBondContact OG-OE2 3.34Å; I18-E292 WeakPolarHBondContact CA-OE1 3.06Å; I18-E292 VanDerWaalsContact CB-OE1 3.3Å; I18-E292 WeakPolarHBondContact CB-OE1 3.32Å; I18-E292 PolarHBondContact N-OE1 2.9Å; N214-E292 HydrophobicContact CB-CB 4.12Å; N214-E292 HydrophobicContact CB-CG 3.98Å; R216-E292 HydrophobicContact CG-CG 3.69Å; R216-E292 IonicContact CZ-OE2 3.44Å; R216-E292 IonicContact NE-OE2 3.73Å; R216-E292 PolarHBondContact NE-OE2 2.65Å; R216-E292 IonicContact NH2-OE2 2.65Å; R216-E292 PolarHBondContact NH2-OE2 2.74Å; I290-E292 WeakPolarHBondContact CG2-O 3.49Å; E292-F302 WeakPolarHBondContact O-CA 3.28Å; E292-G303 PolarHBondContact O-N 3.14Å |
| 293 | V | 96.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 110.8 | 166.7 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | R216 W224 A226 A266 I290 L300 F301 F302 | R216-V293 WeakPolarHBondContact CB-O 3.21Å; W224-V293 HydrophobicContact CB-CB 4.05Å; W224-V293 HydrophobicContact CB-CG1 4.43Å; W224-V293 HydrophobicContact CD2-CB 4.38Å; W224-V293 HydrophobicContact CD2-CG1 3.91Å; W224-V293 HydrophobicContact CE3-CG1 4.24Å; W224-V293 HydrophobicContact CG-CB 4.17Å; W224-V293 HydrophobicContact CG-CG1 4Å; A226-V293 HydrophobicContact CB-CG2 4.37Å; A266-V293 HydrophobicContact CB-CG2 3.64Å; I290-V293 HydrophobicContact CG2-CG2 3.94Å; V293-L300 HydrophobicContact CG1-CB 4.39Å; V293-L300 HydrophobicContact CG1-CD2 4.24Å; V293-F301 CarbonylContact C-O 3.51Å; V293-F301 WeakPolarHBondContact CA-O 3.27Å; V293-F302 HydrophobicContact CG1-CD1 4.31Å; V293-F302 HydrophobicContact CG1-CE1 4.1Å; V293-F302 HydrophobicContact CG2-CD1 3.97Å; V293-F302 HydrophobicContact CG2-CE1 4.22Å |
| 294 | A | 94.2 | Very high | 91.6 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 7% | 0.066 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I18 I20 L300 F301 | I18-A294 HydrophobicContact CB-CB 4.02Å; I18-A294 HydrophobicContact CD1-CB 4.39Å; I18-A294 HydrophobicContact CG2-CB 4.03Å; I20-A294 HydrophobicContact CD1-CB 3.96Å; I20-A294 HydrophobicContact CG1-CB 4.48Å; A294-L300 CarbonylContact O-C 3.57Å; A294-L300 WeakPolarHBondContact O-CA 3.26Å; A294-F301 HydrophobicContact CB-CB 4.35Å; A294-F301 PolarHBondContact N-O 2.95Å; A294-F301 PolarHBondContact O-N 2.87Å |
| 295 | D | 94 | Very high | 91.5 | Very high | 25 Ų | 25 | 26.6 Ų | 26.6 | 13% | 0.134 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.2 | -177.8 | -168.6 | -24.6 | 0 | 0 | 0 | 108.6 | S218 W224 G297 L300 I315 | S218-D295 WeakPolarHBondContact CB-OD2 3.42Å; W224-D295 PolarHBondContact NE1-OD2 3.07Å; D295-G297 PolarHBondContact OD1-N 3.06Å; D295-L300 HydrophobicContact CB-CD2 3.72Å; D295-L300 VanDerWaalsContact CG-CD2 3.45Å; D295-L300 WeakPolarHBondContact OD2-CD2 3.11Å; D295-I315 VanDerWaalsContact OD1-CD1 3.29Å; D295-I315 WeakPolarHBondContact OD1-CD1 3.49Å |
| 296 | N | 90.3 | Very high | 91.1 | Very high | 35 Ų | 35 | 24.1 Ų | 24.1 | 19% | 0.187 | 13% | 0.131 | C | C | . | . | trans | -122.3 | 16.9 | 175 | 77.8 | -0.6 | 0 | 0 | 0 | 113.1 | I20 T298 H299 | I20-N296 HydrophobicContact CD1-CB 3.99Å; I20-N296 HydrophobicContact CG2-CB 4.13Å; N296-T298 PolarHBondContact O-N 3.24Å; N296-T298 VanDerWaalsContact O-N 3.13Å; N296-T298 PolarHBondContact OD1-N 3.12Å; N296-T298 PolarHBondContact OD1-OG1 3.24Å; N296-H299 PolarHBondContact N-O 2.68Å; N296-H299 PolarHBondContact OD1-N 2.64Å; N296-H299 PolarHBondContact OD1-O 3.14Å | ||
| 297 | G | 89.8 | Confident | 91 | Very high | 39 Ų | 39 | 23.1 Ų | 23.1 | 40% | 0.402 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 81.5 | -19.1 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | D295 | D295-G297 PolarHBondContact OD1-N 3.06Š|
| 298 | T | 90.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 29.3 Ų | 29.3 | 48% | 0.479 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -114 | -31.8 | 176.2 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | N296 Q314 I315 | N296-T298 PolarHBondContact O-N 3.24Å; N296-T298 VanDerWaalsContact O-N 3.13Å; N296-T298 PolarHBondContact OD1-N 3.12Å; N296-T298 PolarHBondContact OD1-OG1 3.24Å; T298-Q314 WeakPolarHBondContact O-CA 3.48Å; T298-Q314 WeakPolarHBondContact O-CG 3.35Å; T298-I315 PolarHBondContact O-N 3.34Å |
| 299 | H | 91.8 | Very high | 90.7 | Very high | 50 Ų | 50 | 28.2 Ų | 28.2 | 23% | 0.231 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148 | -175.5 | -66.1 | 78.8 | 0 | 0 | 0 | 110.7 | N296 F301 Y312 M313 | N296-H299 PolarHBondContact N-O 2.68Å; N296-H299 PolarHBondContact OD1-N 2.64Å; N296-H299 PolarHBondContact OD1-O 3.14Å; H299-F301 HydrophobicContact CB-CD2 4.48Å; H299-F301 HydrophobicContact CB-CE2 3.76Å; H299-F301 HydrophobicContact CB-CZ 3.95Å; H299-Y312 AromaticContact CD2-CD2 3.84Å; H299-M313 CarbonylContact C-O 3.4Å; H299-M313 WeakPolarHBondContact CA-O 3.49Å; H299-M313 WeakPolarHBondContact CB-O 3.4Å |
| 300 | L | 94 | Very high | 90.7 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.1 | 164.8 | -58.9 | 177.2 | 0 | 0 | 0 | 109 | W224 L279 V293 A294 D295 F302 Y312 M313 I315 | W224-L300 HydrophobicContact CH2-CD1 4.02Å; W224-L300 HydrophobicContact CZ2-CD1 3.69Å; W224-L300 HydrophobicContact CZ2-CD2 4Å; L279-L300 HydrophobicContact CD1-CD1 3.51Å; V293-L300 HydrophobicContact CG1-CB 4.39Å; V293-L300 HydrophobicContact CG1-CD2 4.24Å; A294-L300 CarbonylContact O-C 3.57Å; A294-L300 WeakPolarHBondContact O-CA 3.26Å; D295-L300 HydrophobicContact CB-CD2 3.72Å; D295-L300 VanDerWaalsContact CG-CD2 3.45Å; D295-L300 WeakPolarHBondContact OD2-CD2 3.11Å; L300-F302 HydrophobicContact CB-CE1 4.48Å; L300-F302 HydrophobicContact CB-CE2 4.02Å; L300-F302 HydrophobicContact CB-CZ 3.79Å; L300-F302 HydrophobicContact CD1-CZ 4.18Å; L300-Y312 CarbonylContact O-C 3.53Å; L300-Y312 WeakPolarHBondContact O-CA 3.44Å; L300-Y312 WeakPolarHBondContact O-CB 3.29Å; L300-M313 HydrophobicContact CB-CG 4.26Å; L300-M313 PolarHBondContact N-O 3.49Å; L300-M313 PolarHBondContact O-N 2.65Å; L300-I315 HydrophobicContact CD2-CD1 3.9Å; L300-I315 HydrophobicContact CD2-CG1 4.13Å; L300-I315 HydrophobicContact CG-CD1 4.15Å; L300-I315 HydrophobicContact CG-CG1 3.8Å |
| 301 | F | 93.3 | Very high | 90.6 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.4 | 173.4 | -56.3 | -98.1 | 0 | 0 | 0 | 108.6 | I18 I20 L41 V293 A294 H299 L310 K311 Y312 | I18-F301 HydrophobicContact CD1-CB 3.88Å; I20-F301 HydrophobicContact CD1-CD2 3.48Å; I20-F301 VanDerWaalsContact CD1-CD2 3.48Å; I20-F301 HydrophobicContact CD1-CE2 3.6Å; I20-F301 HydrophobicContact CD1-CG 4.37Å; L41-F301 HydrophobicContact CD2-CE1 4.14Å; L41-F301 HydrophobicContact CD2-CZ 3.88Å; V293-F301 CarbonylContact C-O 3.51Å; V293-F301 WeakPolarHBondContact CA-O 3.27Å; A294-F301 HydrophobicContact CB-CB 4.35Å; A294-F301 PolarHBondContact N-O 2.95Å; A294-F301 PolarHBondContact O-N 2.87Å; H299-F301 HydrophobicContact CB-CD2 4.48Å; H299-F301 HydrophobicContact CB-CE2 3.76Å; H299-F301 HydrophobicContact CB-CZ 3.95Å; F301-L310 HydrophobicContact CB-CD1 4.35Å; F301-L310 HydrophobicContact CB-CD2 4.39Å; F301-L310 HydrophobicContact CD1-CD2 3.79Å; F301-L310 HydrophobicContact CD1-CG 4.36Å; F301-L310 HydrophobicContact CG-CD2 4.5Å; F301-K311 CarbonylContact C-O 3.52Å; F301-K311 WeakPolarHBondContact CA-O 3.39Å; F301-Y312 HydrophobicContact CD1-CG 4.4Å; F301-Y312 HydrophobicContact CE1-CD2 4.45Å; F301-Y312 HydrophobicContact CE1-CG 4.32Å |
| 302 | F | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113 | -175.7 | -53.2 | -88.9 | 0 | 0 | 0 | 109.6 | M1 C4 A266 L279 V287 I290 E292 V293 L300 L310 K311 M313 | M1-F302 HydrophobicContact SD-CD1 4.44Å; M1-F302 HydrophobicContact SD-CE1 4.12Å; M1-F302 HydrophobicContact SD-CZ 4.31Å; C4-F302 WeakPolarHBondContact SG-CE2 3.44Å; A266-F302 HydrophobicContact CB-CE1 4.26Å; L279-F302 HydrophobicContact CD1-CE1 4.17Å; L279-F302 HydrophobicContact CD1-CZ 4.04Å; V287-F302 HydrophobicContact CG1-CB 3.77Å; V287-F302 HydrophobicContact CG1-CG 4.06Å; V287-F302 HydrophobicContact CG2-CD2 4.42Å; I290-F302 HydrophobicContact CD1-CD1 4Å; I290-F302 HydrophobicContact CG2-CB 4.43Å; I290-F302 HydrophobicContact CG2-CD1 4.3Å; E292-F302 WeakPolarHBondContact O-CA 3.28Å; V293-F302 HydrophobicContact CG1-CD1 4.31Å; V293-F302 HydrophobicContact CG1-CE1 4.1Å; V293-F302 HydrophobicContact CG2-CD1 3.97Å; V293-F302 HydrophobicContact CG2-CE1 4.22Å; L300-F302 HydrophobicContact CB-CE1 4.48Å; L300-F302 HydrophobicContact CB-CE2 4.02Å; L300-F302 HydrophobicContact CB-CZ 3.79Å; L300-F302 HydrophobicContact CD1-CZ 4.18Å; F302-L310 WeakPolarHBondContact O-CD1 3.17Å; F302-K311 HydrophobicContact CB-CB 4.19Å; F302-K311 HydrophobicContact CD2-CB 4.28Å; F302-K311 PolarHBondContact N-O 2.81Å; F302-M313 HydrophobicContact CE2-CG 3.84Å; F302-M313 HydrophobicContact CE2-SD 4.1Å; F302-M313 HydrophobicContact CZ-CG 4.13Å; F302-M313 HydrophobicContact CZ-SD 3.97Å |
| 303 | G | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 151.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P15 I290 S291 E292 | P15-G303 CarbonylContact O-C 3.47Å; P15-G303 WeakPolarHBondContact O-CA 3.3Å; I290-G303 WeakPolarHBondContact CA-O 3.49Å; S291-G303 PolarHBondContact N-O 2.82Å; S291-G303 PolarHBondContact OG-O 2.89Å; E292-G303 PolarHBondContact O-N 3.14Å |
| 304 | S | 89.9 | Confident | 90.3 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 141.8 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | G14 P15 T288 E289 S291 R306 S307 | G14-S304 CarbonylContact C-O 3.59Å; G14-S304 WeakPolarHBondContact CA-O 3.19Å; P15-S304 CarbonylContact C-O 3.5Å; P15-S304 WeakPolarHBondContact CD-O 3.27Å; P15-S304 PolarHBondContact O-N 3.5Å; T288-S304 PolarHBondContact O-OG 2.79Å; E289-S304 VanDerWaalsContact O-CA 3.25Å; E289-S304 WeakPolarHBondContact O-CA 3.41Å; E289-S304 WeakPolarHBondContact O-CB 3.44Å; E289-S304 PolarHBondContact O-OG 2.98Å; E289-S304 VanDerWaalsContact O-OG 3.14Å; S291-S304 WeakPolarHBondContact OG-CA 3.33Å; S291-S304 PolarHBondContact OG-N 2.88Å; S291-S304 VanDerWaalsContact OG-N 3.11Å; S304-R306 PolarHBondContact O-N 2.78Å; S304-R306 PolarHBondContact OG-N 3Å; S304-S307 PolarHBondContact OG-N 3.42Å; S304-S307 VanDerWaalsContact OG-N 3.12Å |
| 305 | F | 83.1 | Confident | 90 | Very high | 45 Ų | 45 | 40 Ų | 40 | 20% | 0.197 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -78 | -2 | 174.7 | 48.5 | -95.9 | 0 | 0 | 0 | 114.1 | E16 A228 E289 | E16-F305 HydrophobicContact CG-CB 4.27Å; A228-F305 HydrophobicContact CB-CE1 4.09Å; E289-F305 HydrophobicContact CB-CD2 4.35Å; E289-F305 HydrophobicContact CB-CE1 3.89Å; E289-F305 HydrophobicContact CB-CE2 3.7Å; E289-F305 HydrophobicContact CB-CZ 3.44Å; E289-F305 VanDerWaalsContact CB-CZ 3.44Å; E289-F305 VanDerWaalsContact CD-CE2 3.46Å; E289-F305 HydrophobicContact CG-CE2 3.78Å; E289-F305 HydrophobicContact CG-CZ 3.69Å; E289-F305 VanDerWaalsContact OE1-CE2 3.27Å; E289-F305 WeakPolarHBondContact OE1-CE2 3.39Å |
| 306 | R | 81.3 | Confident | 89.3 | Confident | 112 Ų | 112 | 42.1 Ų | 42.1 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -130.4 | -18.7 | 177.3 | -60.1 | -154.2 | -159.2 | -124.6 | -5.7 | 116.4 | N258 E289 S304 K308 | N258-R306 PolarHBondContact OD1-NH1 2.96Å; N258-R306 PolarHBondContact OD1-NH2 2.96Å; E289-R306 IonicContact OE1-CZ 2.83Å; E289-R306 IonicContact OE1-NE 3.34Å; E289-R306 PolarHBondContact OE1-NE 2.74Å; E289-R306 IonicContact OE1-NH2 3.27Å; E289-R306 WeakPolarHBondContact OE2-CB 3.32Å; E289-R306 WeakPolarHBondContact OE2-CD 3.13Å; E289-R306 WeakPolarHBondContact OE2-CG 3Å; E289-R306 IonicContact OE2-NE 2.68Å; E289-R306 PolarHBondContact OE2-NE 3.1Å; S304-R306 PolarHBondContact O-N 2.78Å; S304-R306 PolarHBondContact OG-N 3Å; R306-K308 PolarHBondContact O-N 3.14Å |
| 307 | S | 85.9 | Confident | 87.7 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | trans | -57.5 | 141.4 | -174 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | T13 G14 S304 G309 K311 | T13-S307 CarbonylContact C-O 3.57Å; T13-S307 WeakPolarHBondContact CA-O 3.11Å; G14-S307 PolarHBondContact N-O 3.21Å; S304-S307 PolarHBondContact OG-N 3.42Å; S304-S307 VanDerWaalsContact OG-N 3.12Å; S307-G309 WeakPolarHBondContact CB-O 3.01Å; S307-G309 PolarHBondContact OG-O 3.04Å; S307-K311 VanDerWaalsContact OG-CE 3.27Å; S307-K311 WeakPolarHBondContact OG-CE 3.26Å | ||
| 308 | K | 86.9 | Confident | 87.6 | Confident | 134 Ų | 134 | 49.9 Ų | 49.9 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | B | Isolated β-bridge | trans | -90.3 | 96.4 | 167.4 | -66.6 | -171 | 178.5 | -173.3 | 0 | 109.2 | D10 L12 R306 | D10-K308 WeakPolarHBondContact OD1-CD 3.47Å; L12-K308 CarbonylContact O-C 3.48Å; L12-K308 WeakPolarHBondContact O-CA 3.28Å; R306-K308 PolarHBondContact O-N 3.14Å |
| 309 | G | 86.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 96.5 | 162.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M7 L12 S307 | M7-G309 CarbonylContact O-C 3.26Å; M7-G309 VanDerWaalsContact O-CA 3.3Å; M7-G309 WeakPolarHBondContact O-CA 3.18Å; L12-G309 PolarHBondContact O-N 3.37Å; S307-G309 WeakPolarHBondContact CB-O 3.01Å; S307-G309 PolarHBondContact OG-O 3.04Å |
| 310 | L | 87.7 | Confident | 87.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129 | 176.7 | 178.1 | 61.2 | 0 | 0 | 0 | 109.8 | M7 L12 P15 I18 I29 F301 F302 | M7-L310 PolarHBondContact N-O 3.42Å; M7-L310 PolarHBondContact O-N 2.63Å; L12-L310 HydrophobicContact CD1-CB 4.47Å; P15-L310 HydrophobicContact CB-CD1 4.45Å; P15-L310 HydrophobicContact CG-CB 4.5Å; P15-L310 HydrophobicContact CG-CD1 4.34Å; I18-L310 HydrophobicContact CD1-CD1 3.46Å; I18-L310 VanDerWaalsContact CD1-CD1 3.46Å; I18-L310 HydrophobicContact CG1-CD1 4.13Å; I29-L310 HydrophobicContact CD1-CD2 3.66Å; I29-L310 HydrophobicContact CG1-CD2 4.36Å; F301-L310 HydrophobicContact CB-CD1 4.35Å; F301-L310 HydrophobicContact CB-CD2 4.39Å; F301-L310 HydrophobicContact CD1-CD2 3.79Å; F301-L310 HydrophobicContact CD1-CG 4.36Å; F301-L310 HydrophobicContact CG-CD2 4.5Å; F302-L310 WeakPolarHBondContact O-CD1 3.17Å |
| 311 | K | 92.2 | Very high | 86.8 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 13% | 0.13 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 140.3 | 176.9 | -56.5 | -64.4 | 178.1 | 157.2 | 0 | 109.4 | K5 T6 V286 V287 F301 F302 S307 | K5-K311 WeakPolarHBondContact O-CA 3.46Å; T6-K311 HydrophobicContact CG2-CD 4.18Å; T6-K311 WeakPolarHBondContact OG1-CD 3.3Å; T6-K311 WeakPolarHBondContact OG1-CE 3.43Å; T6-K311 PolarHBondContact OG1-NZ 3.48Å; V286-K311 VanDerWaalsContact O-CD 3.32Å; V286-K311 WeakPolarHBondContact O-CD 3.27Å; V286-K311 WeakPolarHBondContact O-CE 3.29Å; V286-K311 PolarHBondContact O-NZ 3.37Å; V287-K311 HydrophobicContact CG2-CB 3.91Å; V287-K311 HydrophobicContact CG2-CG 4.08Å; F301-K311 CarbonylContact C-O 3.52Å; F301-K311 WeakPolarHBondContact CA-O 3.39Å; F302-K311 HydrophobicContact CB-CB 4.19Å; F302-K311 HydrophobicContact CD2-CB 4.28Å; F302-K311 PolarHBondContact N-O 2.81Å; S307-K311 VanDerWaalsContact OG-CE 3.27Å; S307-K311 WeakPolarHBondContact OG-CE 3.26Å |
| 312 | Y | 92.8 | Very high | 86.4 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 18% | 0.184 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 152.1 | 178.5 | 75.8 | -71.8 | 0 | 0 | 0 | 111.8 | C4 K5 M7 H299 L300 F301 | C4-Y312 CarbonylContact C-O 3.51Å; C4-Y312 VanDerWaalsContact CA-O 3.29Å; C4-Y312 WeakPolarHBondContact CA-O 3.5Å; K5-Y312 HydrophobicContact CB-CD1 4.05Å; K5-Y312 HydrophobicContact CB-CE1 3.41Å; K5-Y312 VanDerWaalsContact CB-CE1 3.41Å; K5-Y312 HydrophobicContact CB-CE2 4.49Å; K5-Y312 PolarHBondContact N-O 3.22Å; K5-Y312 WeakPolarHBondContact O-CD1 3.39Å; K5-Y312 PolarHBondContact O-N 3.06Å; M7-Y312 HydrophobicContact CB-CD1 4.05Å; M7-Y312 HydrophobicContact CB-CE1 3.92Å; M7-Y312 HydrophobicContact CE-CD1 3.84Å; M7-Y312 HydrophobicContact CE-CD2 4.2Å; M7-Y312 HydrophobicContact CE-CE1 3.5Å; M7-Y312 HydrophobicContact CE-CE2 3.89Å; M7-Y312 HydrophobicContact CE-CG 4.19Å; H299-Y312 AromaticContact CD2-CD2 3.84Å; L300-Y312 CarbonylContact O-C 3.53Å; L300-Y312 WeakPolarHBondContact O-CA 3.44Å; L300-Y312 WeakPolarHBondContact O-CB 3.29Å; F301-Y312 HydrophobicContact CD1-CG 4.4Å; F301-Y312 HydrophobicContact CE1-CD2 4.45Å; F301-Y312 HydrophobicContact CE1-CG 4.32Å |
| 313 | M | 93.5 | Very high | 85.9 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 153.2 | 172 | 65.3 | -175.3 | -77.1 | 0 | 0 | 110.9 | H299 L300 F302 | H299-M313 CarbonylContact C-O 3.4Å; H299-M313 WeakPolarHBondContact CA-O 3.49Å; H299-M313 WeakPolarHBondContact CB-O 3.4Å; L300-M313 HydrophobicContact CB-CG 4.26Å; L300-M313 PolarHBondContact N-O 3.49Å; L300-M313 PolarHBondContact O-N 2.65Å; F302-M313 HydrophobicContact CE2-CG 3.84Å; F302-M313 HydrophobicContact CE2-SD 4.1Å; F302-M313 HydrophobicContact CZ-CG 4.13Å; F302-M313 HydrophobicContact CZ-SD 3.97Å |
| 314 | Q | 92.1 | Very high | 85.4 | Confident | 136 Ų | 136 | 60.9 Ų | 60.9 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 139.4 | 170.1 | -166.5 | 175.4 | -3.5 | 0 | 0 | 109.9 | T298 S316 | T298-Q314 WeakPolarHBondContact O-CA 3.48Å; T298-Q314 WeakPolarHBondContact O-CG 3.35Å; Q314-S316 PolarHBondContact O-N 2.73Å |
| 315 | I | 89.7 | Confident | 85.1 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 25% | 0.246 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 121.1 | 172.3 | -63.7 | 170.9 | 0 | 0 | 0 | 107 | D295 T298 L300 | D295-I315 VanDerWaalsContact OD1-CD1 3.29Å; D295-I315 WeakPolarHBondContact OD1-CD1 3.49Å; T298-I315 PolarHBondContact O-N 3.34Å; L300-I315 HydrophobicContact CD2-CD1 3.9Å; L300-I315 HydrophobicContact CD2-CG1 4.13Å; L300-I315 HydrophobicContact CG-CD1 4.15Å; L300-I315 HydrophobicContact CG-CG1 3.8Å |
| 316 | S | 78.6 | Confident | 85.3 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 126.2 | 172.7 | -40.7 | 0 | 0 | 0 | 0 | 107.4 | Q314 | Q314-S316 PolarHBondContact O-N 2.73Š|
| 317 | S | 56.2 | Low | 85.6 | Confident | 188 Ų | 188 | 63.1 Ų | 63.1 | 100% | 1.315 | 35% | 0.347 | S | S | * | . | trans | -55.7 | 0 | 166.1 | 56.3 | 0 | 0 | 0 | 0 | 111 |
Retrieved 317 of 317 residues in 1003.1 ms
(Link to these results)