| 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 | 51.8 | Low | 90.9 | Very high | 214 Ų | 214 | 67.9 Ų | 67.9 | 100% | 1.054 | 36% | 0.355 | S | S | * | . | 0 | 143.8 | 0 | -69.6 | 177.6 | -174.3 | 0 | 0 | 106.9 | |||||
| 2 | T | 71.3 | Confident | 91.5 | Very high | 118 Ų | 118 | 70.1 Ų | 70.1 | 72% | 0.724 | 36% | 0.362 | S | S | * | . | trans | -92.3 | 134.7 | -171.7 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | D4 | T2-D4 PolarHBondContact O-N 3.2Š| ||
| 3 | R | 92.3 | Very high | 92.1 | Very high | 109 Ų | 109 | 68.8 Ų | 68.8 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | trans | -72.3 | 18.8 | 168.8 | -72.4 | 179.1 | 173.3 | 177.2 | -2.3 | 113 | Q5 Q45 W89 G91 D92 | R3-Q5 PolarHBondContact O-N 2.86Å; R3-Q45 PolarHBondContact O-NE2 2.96Å; R3-Q45 PolarHBondContact O-OE1 2.7Å; R3-W89 HydrophobicContact CB-CH2 3.73Å; R3-W89 HydrophobicContact CB-CZ2 3.85Å; R3-W89 HydrophobicContact CB-CZ3 4.14Å; R3-W89 HydrophobicContact CG-CD2 4.39Å; R3-W89 HydrophobicContact CG-CE3 4.21Å; R3-W89 HydrophobicContact CG-CH2 4.17Å; R3-W89 HydrophobicContact CG-CZ2 4.34Å; R3-W89 HydrophobicContact CG-CZ3 4.09Å; R3-W89 WeakPolarHBondContact O-CH2 3.33Å; R3-G91 PolarHBondContact NE-O 2.84Å; R3-G91 VanDerWaalsContact NE-O 3.1Å; R3-G91 PolarHBondContact NH2-O 2.75Å; R3-D92 IonicContact NE-OD1 2.88Å | ||
| 4 | D | 95.8 | Very high | 92.5 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | trans | -85.1 | 111.8 | -174.8 | -178.1 | 9.5 | 0 | 0 | 0 | 109.6 | T2 N6 | T2-D4 PolarHBondContact O-N 3.2Å; D4-N6 WeakPolarHBondContact OD1-CB 3.47Å; D4-N6 PolarHBondContact OD1-N 2.83Å; D4-N6 PolarHBondContact OD1-ND2 3.1Å | ||
| 5 | Q | 97.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | trans | -108.2 | 11.4 | 178.1 | -51.2 | -168.2 | 2.7 | 0 | 0 | 112.1 | R3 G7 W9 I43 F50 Q109 V111 L116 | R3-Q5 PolarHBondContact O-N 2.86Å; Q5-G7 PolarHBondContact O-N 3.11Å; Q5-W9 PolarHBondContact O-NE1 2.9Å; Q5-W9 VanDerWaalsContact O-NE1 3.08Å; Q5-I43 HydrophobicContact CB-CD1 4.21Å; Q5-I43 HydrophobicContact CB-CG2 4.44Å; Q5-I43 WeakPolarHBondContact O-CB 3.47Å; Q5-F50 HydrophobicContact CB-CE1 4.46Å; Q5-Q109 PolarHBondContact NE2-O 2.85Å; Q5-V111 HydrophobicContact CB-CG2 4.18Å; Q5-V111 HydrophobicContact CG-CG2 3.85Å; Q5-L116 HydrophobicContact CB-CD1 4.48Å | ||
| 6 | N | 98.4 | Very high | 93.3 | Very high | 54 Ų | 54 | 68.6 Ų | 68.6 | 29% | 0.289 | 36% | 0.363 | S | S | . | . | trans | -56.2 | 138.5 | 179 | -82.4 | -72.6 | 0 | 0 | 0 | 112.2 | D4 I43 E44 Q45 K133 | D4-N6 WeakPolarHBondContact OD1-CB 3.47Å; D4-N6 PolarHBondContact OD1-N 2.83Å; D4-N6 PolarHBondContact OD1-ND2 3.1Å; N6-I43 PolarHBondContact OD1-O 2.94Å; N6-E44 WeakPolarHBondContact OD1-CA 3.26Å; N6-Q45 PolarHBondContact ND2-O 3Å; N6-Q45 VanDerWaalsContact ND2-O 3.08Å; N6-Q45 PolarHBondContact OD1-N 2.77Å; N6-K133 VanDerWaalsContact O-CE 3.27Å; N6-K133 WeakPolarHBondContact O-CE 3.44Å; N6-K133 PolarHBondContact O-NZ 2.62Å | ||
| 7 | G | 98.2 | Very high | 93.6 | Very high | 22 Ų | 22 | 66.1 Ų | 66.1 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.6 | -176.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q5 I43 | Q5-G7 PolarHBondContact O-N 3.11Å; G7-I43 PolarHBondContact N-O 3.01Å; G7-I43 VanDerWaalsContact N-O 3.09Å; G7-I43 PolarHBondContact O-N 2.58Å |
| 8 | T | 98.8 | Very high | 93.8 | Very high | 49 Ų | 49 | 66.3 Ų | 66.3 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.4 | 168.4 | -60.1 | 0 | 0 | 0 | 0 | 108.5 | T40 K41 I42 K134 | T8-T40 HydrophobicContact CG2-CG2 3.54Å; T8-K41 CarbonylContact C-O 3.55Å; T8-K41 WeakPolarHBondContact CA-O 3.2Å; T8-I42 HydrophobicContact CG2-CG1 4.23Å; T8-K134 HydrophobicContact CG2-CB 4.46Å; T8-K134 HydrophobicContact CG2-CD 3.74Å; T8-K134 HydrophobicContact CG2-CG 4.04Å; T8-K134 PolarHBondContact O-N 3.06Å |
| 9 | W | 98.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.9 | -172.9 | -53.3 | 91.3 | 0 | 0 | 0 | 109.1 | Q5 T40 K41 V111 L116 F131 K132 K133 | Q5-W9 PolarHBondContact O-NE1 2.9Å; Q5-W9 VanDerWaalsContact O-NE1 3.08Å; W9-T40 CarbonylContact O-C 3.5Å; W9-T40 VanDerWaalsContact O-CA 3.32Å; W9-T40 WeakPolarHBondContact O-CA 3.45Å; W9-K41 HydrophobicContact CB-CB 4.33Å; W9-K41 PolarHBondContact N-O 2.89Å; W9-K41 PolarHBondContact O-N 3.2Å; W9-V111 HydrophobicContact CH2-CG1 4.03Å; W9-V111 HydrophobicContact CH2-CG2 4Å; W9-V111 HydrophobicContact CZ2-CG2 4.15Å; W9-L116 HydrophobicContact CB-CD2 4.34Å; W9-L116 HydrophobicContact CD2-CB 3.63Å; W9-L116 HydrophobicContact CD2-CD1 4.43Å; W9-L116 HydrophobicContact CD2-CD2 4.46Å; W9-L116 HydrophobicContact CD2-CG 4.39Å; W9-L116 HydrophobicContact CE3-CB 3.43Å; W9-L116 VanDerWaalsContact CE3-CB 3.43Å; W9-L116 HydrophobicContact CG-CB 4.16Å; W9-L116 HydrophobicContact CG-CD2 4.17Å; W9-L116 HydrophobicContact CH2-CB 4.25Å; W9-L116 HydrophobicContact CZ2-CB 4.43Å; W9-L116 HydrophobicContact CZ2-CD1 4.4Å; W9-L116 HydrophobicContact CZ3-CB 3.76Å; W9-F131 HydrophobicContact CB-CB 3.68Å; W9-F131 HydrophobicContact CB-CD1 4.43Å; W9-F131 HydrophobicContact CB-CG 4.32Å; W9-K132 CarbonylContact C-O 3.56Å; W9-K132 WeakPolarHBondContact CA-O 3.33Å; W9-K133 HydrophobicContact CD2-CG 4.46Å; W9-K133 HydrophobicContact CE3-CB 3.77Å; W9-K133 HydrophobicContact CE3-CG 4.15Å; W9-K133 HydrophobicContact CH2-CB 4.18Å; W9-K133 HydrophobicContact CH2-CD 3.83Å; W9-K133 HydrophobicContact CH2-CG 4.1Å; W9-K133 HydrophobicContact CZ2-CD 4.19Å; W9-K133 HydrophobicContact CZ2-CG 4.4Å; W9-K133 HydrophobicContact CZ3-CB 3.58Å; W9-K133 HydrophobicContact CZ3-CD 4.14Å; W9-K133 HydrophobicContact CZ3-CG 3.97Å |
| 10 | E | 98.6 | Very high | 94.3 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.2 | 179 | -169.7 | 169.6 | 122.8 | 0 | 0 | 110.6 | E12 T38 F131 K132 K134 | E10-E12 PolarHBondContact O-N 3.45Å; E10-T38 HydrophobicContact CG-CG2 4.11Å; E10-F131 CarbonylContact O-C 3.51Å; E10-F131 WeakPolarHBondContact O-CA 3.46Å; E10-K132 PolarHBondContact N-O 3.33Å; E10-K132 PolarHBondContact O-N 2.96Å; E10-K134 HydrophobicContact CB-CG 4.49Å; E10-K134 WeakPolarHBondContact OE2-CE 3.46Å; E10-K134 IonicContact OE2-NZ 2.7Å; E10-K134 PolarHBondContact OE2-NZ 3.36Å |
| 11 | M | 98.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 127.3 | -176 | 178.1 | 179.3 | -84.8 | 0 | 0 | 111.8 | N14 T38 Q39 Q129 F131 | M11-N14 HydrophobicContact CE-CB 4.16Å; M11-N14 HydrophobicContact SD-CB 3.75Å; M11-T38 HydrophobicContact CB-CG2 4.16Å; M11-Q39 HydrophobicContact CB-CB 4.44Å; M11-Q39 VanDerWaalsContact CB-O 3.24Å; M11-Q39 WeakPolarHBondContact CB-O 3.45Å; M11-Q39 HydrophobicContact CE-CB 3.73Å; M11-Q39 HydrophobicContact CE-CG 3.76Å; M11-Q39 PolarHBondContact N-O 2.95Å; M11-Q39 HydrophobicContact SD-CB 4.17Å; M11-Q39 HydrophobicContact SD-CG 4.17Å; M11-Q129 HydrophobicContact CE-CB 4.27Å; M11-Q129 VanDerWaalsContact CE-CD 3.41Å; M11-Q129 HydrophobicContact CE-CG 3.88Å; M11-F131 HydrophobicContact CB-CD1 3.74Å; M11-F131 HydrophobicContact CB-CE1 3.74Å; M11-F131 HydrophobicContact CE-CE1 3.88Å; M11-F131 HydrophobicContact CE-CE2 4.45Å; M11-F131 HydrophobicContact CE-CZ 3.62Å; M11-F131 HydrophobicContact CG-CE1 4.42Å |
| 12 | E | 98.1 | Very high | 96.7 | Very high | 94 Ų | 94 | 54.9 Ų | 54.9 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -35 | 171.9 | -62.3 | -167.4 | 138.4 | 0 | 0 | 111.9 | E10 K115 V130 K132 | E10-E12 PolarHBondContact O-N 3.45Å; E12-K115 IonicContact OE2-NZ 2.79Å; E12-K115 PolarHBondContact OE2-NZ 2.83Å; E12-V130 PolarHBondContact N-O 2.91Å; E12-K132 HydrophobicContact CG-CB 3.78Å; E12-K132 WeakPolarHBondContact OE1-CB 3.3Å; E12-K132 WeakPolarHBondContact OE1-CD 3.28Å |
| 13 | S | 98.4 | Very high | 98 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 154.4 | -178.7 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | Q129 V130 | S13-Q129 WeakPolarHBondContact O-CA 3.39Å; S13-V130 PolarHBondContact N-O 2.94Å; S13-V130 PolarHBondContact O-N 3.31Å; S13-V130 VanDerWaalsContact O-N 3.13Å; S13-V130 WeakPolarHBondContact OG-CB 3.47Å; S13-V130 WeakPolarHBondContact OG-CG2 2.8Å |
| 14 | N | 98.4 | Very high | 98.3 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 22% | 0.219 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 88.6 | -177.4 | -167.7 | 10.5 | 0 | 0 | 0 | 109.9 | M11 F17 C127 Q129 | M11-N14 HydrophobicContact CE-CB 4.16Å; M11-N14 HydrophobicContact SD-CB 3.75Å; N14-F17 VanDerWaalsContact ND2-CD1 3.34Å; N14-F17 WeakPolarHBondContact ND2-CD1 3.45Å; N14-F17 WeakPolarHBondContact ND2-CG 3.32Å; N14-F17 WeakPolarHBondContact OD1-CB 3.26Å; N14-C127 PolarHBondContact OD1-SG 3.22Å; N14-C127 VanDerWaalsContact OD1-SG 3.35Å; N14-Q129 HydrophobicContact CB-CG 4.38Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.33Å; N14-Q129 PolarHBondContact OD1-NE2 3.41Å |
| 15 | D | 98.5 | Very high | 98.4 | Very high | 101 Ų | 101 | 46.7 Ų | 46.7 | 54% | 0.54 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.9 | -175.7 | -175 | 28.9 | 0 | 0 | 0 | 111.7 | F17 C127 R128 | D15-F17 VanDerWaalsContact C-N 3.27Å; D15-F17 PolarHBondContact O-N 2.79Å; D15-C127 CarbonylContact O-C 3.53Å; D15-C127 WeakPolarHBondContact O-CA 3.32Å; D15-C127 PolarHBondContact O-SG 2.79Å; D15-C127 VanDerWaalsContact O-SG 3.32Å; D15-R128 HydrophobicContact CB-CB 4.42Å; D15-R128 PolarHBondContact N-O 3.36Å; D15-R128 PolarHBondContact O-N 3.5Å |
| 16 | N | 98.4 | Very high | 98.4 | Very high | 62 Ų | 62 | 47.6 Ų | 47.6 | 33% | 0.332 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 54.2 | 29.2 | -178.9 | -166.3 | 35.3 | 0 | 0 | 0 | 116.4 | E18 G19 Y20 Q125 V126 | N16-E18 VanDerWaalsContact C-N 3.27Å; N16-E18 PolarHBondContact O-N 3.08Å; N16-G19 PolarHBondContact O-N 3.4Å; N16-G19 WeakPolarHBondContact OD1-CA 3.49Å; N16-G19 PolarHBondContact OD1-N 2.87Å; N16-Y20 PolarHBondContact O-N 3.08Å; N16-Y20 VanDerWaalsContact O-N 3.15Å; N16-Q125 PolarHBondContact ND2-OE1 3.42Å; N16-V126 WeakPolarHBondContact CB-O 3.43Å; N16-V126 PolarHBondContact ND2-O 2.79Å |
| 17 | F | 98.4 | Very high | 98.4 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 11% | 0.114 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -33.2 | 176.1 | -166.3 | -139.4 | 0 | 0 | 0 | 113 | N14 D15 Y20 M21 A34 I35 | N14-F17 VanDerWaalsContact ND2-CD1 3.34Å; N14-F17 WeakPolarHBondContact ND2-CD1 3.45Å; N14-F17 WeakPolarHBondContact ND2-CG 3.32Å; N14-F17 WeakPolarHBondContact OD1-CB 3.26Å; D15-F17 VanDerWaalsContact C-N 3.27Å; D15-F17 PolarHBondContact O-N 2.79Å; F17-Y20 HydrophobicContact CD2-CD1 4.1Å; F17-Y20 HydrophobicContact CE2-CD1 4.05Å; F17-Y20 HydrophobicContact CE2-CE1 4.48Å; F17-Y20 PolarHBondContact O-N 2.82Å; F17-M21 HydrophobicContact CD1-CE 3.55Å; F17-M21 HydrophobicContact CD1-CG 4.49Å; F17-M21 HydrophobicContact CD1-SD 4.03Å; F17-M21 HydrophobicContact CD2-CG 4.1Å; F17-M21 HydrophobicContact CE1-CE 3.72Å; F17-M21 HydrophobicContact CE1-CG 4.25Å; F17-M21 HydrophobicContact CE1-SD 3.59Å; F17-M21 VanDerWaalsContact CE1-SD 3.59Å; F17-M21 HydrophobicContact CE2-CG 3.83Å; F17-M21 HydrophobicContact CE2-SD 4.23Å; F17-M21 HydrophobicContact CG-CE 4.03Å; F17-M21 HydrophobicContact CG-CG 4.42Å; F17-M21 HydrophobicContact CZ-CE 4.33Å; F17-M21 HydrophobicContact CZ-CG 3.9Å; F17-M21 HydrophobicContact CZ-SD 3.69Å; F17-M21 WeakPolarHBondContact O-CB 3.25Å; F17-M21 WeakPolarHBondContact O-CG 3.27Å; F17-M21 PolarHBondContact O-N 2.85Å; F17-A34 HydrophobicContact CE1-CB 4.09Å; F17-I35 HydrophobicContact CD1-CG2 4.41Å |
| 18 | E | 98.2 | Very high | 98.3 | Very high | 69 Ų | 69 | 54 Ų | 54 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.7 | -175.2 | 161 | -163.3 | 0 | 0 | 111.9 | N16 K22 K32 I35 | N16-E18 VanDerWaalsContact C-N 3.27Å; N16-E18 PolarHBondContact O-N 3.08Å; E18-K22 VanDerWaalsContact O-CB 3.31Å; E18-K22 WeakPolarHBondContact O-CB 3.24Å; E18-K22 PolarHBondContact O-N 3.06Å; E18-K32 IonicContact OE1-NZ 3.66Å; E18-K32 PolarHBondContact OE1-NZ 3.1Å; E18-K32 IonicContact OE2-NZ 2.75Å; E18-K32 PolarHBondContact OE2-NZ 2.92Å; E18-I35 HydrophobicContact CB-CG2 4.03Å |
| 19 | G | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N16 M21 K22 A23 | N16-G19 PolarHBondContact O-N 3.4Å; N16-G19 WeakPolarHBondContact OD1-CA 3.49Å; N16-G19 PolarHBondContact OD1-N 2.87Å; G19-M21 PolarHBondContact O-N 2.95Å; G19-K22 WeakPolarHBondContact O-CB 3.35Å; G19-K22 PolarHBondContact O-N 3.09Å; G19-A23 PolarHBondContact O-N 2.88Å |
| 20 | Y | 98.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 7% | 0.071 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 176.1 | 173.4 | -101.9 | 0 | 0 | 0 | 112.6 | N16 F17 K22 A23 L24 L120 C122 C127 | N16-Y20 PolarHBondContact O-N 3.08Å; N16-Y20 VanDerWaalsContact O-N 3.15Å; F17-Y20 HydrophobicContact CD2-CD1 4.1Å; F17-Y20 HydrophobicContact CE2-CD1 4.05Å; F17-Y20 HydrophobicContact CE2-CE1 4.48Å; F17-Y20 PolarHBondContact O-N 2.82Å; Y20-K22 VanDerWaalsContact C-N 3.29Å; Y20-K22 PolarHBondContact O-N 3.3Å; Y20-A23 PolarHBondContact O-N 2.83Å; Y20-L24 HydrophobicContact CD1-CD1 4.16Å; Y20-L24 HydrophobicContact CE1-CD1 3.48Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.48Å; Y20-L24 HydrophobicContact CE1-CG 4.49Å; Y20-L24 HydrophobicContact CE2-CD1 4.26Å; Y20-L24 PolarHBondContact O-N 2.93Å; Y20-L120 HydrophobicContact CD1-CB 4.42Å; Y20-L120 HydrophobicContact CD1-CD1 4.41Å; Y20-L120 HydrophobicContact CD2-CB 4.02Å; Y20-L120 HydrophobicContact CE1-CB 4.2Å; Y20-L120 HydrophobicContact CE1-CD1 4.18Å; Y20-L120 HydrophobicContact CE2-CB 3.78Å; Y20-L120 HydrophobicContact CG-CB 4.33Å; Y20-C122 HydrophobicContact CD2-CB 3.89Å; Y20-C122 HydrophobicContact CE2-CB 3.7Å; Y20-C127 HydrophobicContact CG-CB 4.08Å |
| 21 | M | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -34.8 | 177.8 | -72.3 | -169.2 | -70.5 | 0 | 0 | 112.5 | F17 G19 L24 D25 I26 R31 A34 I35 | F17-M21 HydrophobicContact CD1-CE 3.55Å; F17-M21 HydrophobicContact CD1-CG 4.49Å; F17-M21 HydrophobicContact CD1-SD 4.03Å; F17-M21 HydrophobicContact CD2-CG 4.1Å; F17-M21 HydrophobicContact CE1-CE 3.72Å; F17-M21 HydrophobicContact CE1-CG 4.25Å; F17-M21 HydrophobicContact CE1-SD 3.59Å; F17-M21 VanDerWaalsContact CE1-SD 3.59Å; F17-M21 HydrophobicContact CE2-CG 3.83Å; F17-M21 HydrophobicContact CE2-SD 4.23Å; F17-M21 HydrophobicContact CG-CE 4.03Å; F17-M21 HydrophobicContact CG-CG 4.42Å; F17-M21 HydrophobicContact CZ-CE 4.33Å; F17-M21 HydrophobicContact CZ-CG 3.9Å; F17-M21 HydrophobicContact CZ-SD 3.69Å; F17-M21 WeakPolarHBondContact O-CB 3.25Å; F17-M21 WeakPolarHBondContact O-CG 3.27Å; F17-M21 PolarHBondContact O-N 2.85Å; G19-M21 PolarHBondContact O-N 2.95Å; M21-L24 PolarHBondContact O-N 2.8Å; M21-D25 PolarHBondContact O-N 2.95Å; M21-I26 HydrophobicContact CB-CB 4.2Å; M21-I26 HydrophobicContact CB-CD1 3.95Å; M21-I26 HydrophobicContact CG-CD1 3.86Å; M21-I26 WeakPolarHBondContact O-CB 3.44Å; M21-I26 PolarHBondContact O-N 3.09Å; M21-I26 VanDerWaalsContact O-N 3.08Å; M21-I26 HydrophobicContact SD-CD1 4.35Å; M21-R31 HydrophobicContact CB-CG 3.74Å; M21-R31 HydrophobicContact CE-CB 3.9Å; M21-R31 HydrophobicContact CE-CG 4.05Å; M21-R31 HydrophobicContact SD-CG 4.19Å; M21-A34 HydrophobicContact CE-CB 3.98Å; M21-A34 HydrophobicContact SD-CB 3.71Å; M21-I35 HydrophobicContact CE-CG2 3.55Å |
| 22 | K | 98.5 | Very high | 98 | Very high | 138 Ų | 138 | 56 Ų | 56 | 60% | 0.6 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.3 | -40.7 | 174.9 | -174.3 | -176.9 | 177 | -172.4 | 0 | 111.3 | E18 G19 Y20 L24 D25 | E18-K22 VanDerWaalsContact O-CB 3.31Å; E18-K22 WeakPolarHBondContact O-CB 3.24Å; E18-K22 PolarHBondContact O-N 3.06Å; G19-K22 WeakPolarHBondContact O-CB 3.35Å; G19-K22 PolarHBondContact O-N 3.09Å; Y20-K22 VanDerWaalsContact C-N 3.29Å; Y20-K22 PolarHBondContact O-N 3.3Å; K22-L24 PolarHBondContact O-N 3.46Å; K22-D25 PolarHBondContact O-N 2.83Å |
| 23 | A | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 20% | 0.198 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.6 | -26.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | G19 Y20 D25 K102 C122 Q125 | G19-A23 PolarHBondContact O-N 2.88Å; Y20-A23 PolarHBondContact O-N 2.83Å; A23-D25 VanDerWaalsContact C-N 3.29Å; A23-K102 VanDerWaalsContact O-CE 3.23Å; A23-K102 WeakPolarHBondContact O-CE 3.45Å; A23-K102 PolarHBondContact O-NZ 2.82Å; A23-C122 HydrophobicContact CB-CB 4.19Å; A23-Q125 HydrophobicContact CB-CB 4.13Å; A23-Q125 HydrophobicContact CB-CG 3.76Å |
| 24 | L | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 3.6 | 172.1 | -69.2 | 176.5 | 0 | 0 | 0 | 114.5 | Y20 M21 K22 I26 D79 R81 K102 C122 | Y20-L24 HydrophobicContact CD1-CD1 4.16Å; Y20-L24 HydrophobicContact CE1-CD1 3.48Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.48Å; Y20-L24 HydrophobicContact CE1-CG 4.49Å; Y20-L24 HydrophobicContact CE2-CD1 4.26Å; Y20-L24 PolarHBondContact O-N 2.93Å; M21-L24 PolarHBondContact O-N 2.8Å; K22-L24 PolarHBondContact O-N 3.46Å; L24-I26 HydrophobicContact CB-CD1 4.35Å; L24-I26 HydrophobicContact CB-CG1 4.16Å; L24-I26 HydrophobicContact CD1-CD1 4.41Å; L24-I26 PolarHBondContact O-N 2.97Å; L24-D79 HydrophobicContact CB-CB 4.26Å; L24-R81 PolarHBondContact O-NH1 2.97Å; L24-K102 HydrophobicContact CD2-CG 4.23Å; L24-C122 HydrophobicContact CD2-CB 4.25Å; L24-C122 HydrophobicContact CG-CB 4.46Å |
| 25 | D | 98.2 | Very high | 97.7 | Very high | 97 Ų | 97 | 53.9 Ų | 53.9 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 23.2 | -174.8 | -38.5 | -51.7 | 0 | 0 | 0 | 115 | M21 K22 A23 D27 R81 K102 | M21-D25 PolarHBondContact O-N 2.95Å; K22-D25 PolarHBondContact O-N 2.83Å; A23-D25 VanDerWaalsContact C-N 3.29Å; D25-D27 PolarHBondContact O-N 2.84Å; D25-R81 IonicContact OD2-CZ 2.74Å; D25-R81 IonicContact OD2-NH2 3.5Å; D25-R81 PolarHBondContact OD2-NH2 3.5Å; D25-K102 IonicContact OD1-NZ 2.84Å; D25-K102 PolarHBondContact OD1-NZ 3.13Å; D25-K102 WeakPolarHBondContact OD2-CE 3.49Å; D25-K102 IonicContact OD2-NZ 3.35Å; D25-K102 PolarHBondContact OD2-NZ 3.2Å |
| 26 | I | 97.9 | Very high | 97.5 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | trans | -64.7 | 134.2 | 174 | -64.8 | 176.6 | 0 | 0 | 0 | 108.5 | M21 L24 T30 R31 D79 | M21-I26 HydrophobicContact CB-CB 4.2Å; M21-I26 HydrophobicContact CB-CD1 3.95Å; M21-I26 HydrophobicContact CG-CD1 3.86Å; M21-I26 WeakPolarHBondContact O-CB 3.44Å; M21-I26 PolarHBondContact O-N 3.09Å; M21-I26 VanDerWaalsContact O-N 3.08Å; M21-I26 HydrophobicContact SD-CD1 4.35Å; L24-I26 HydrophobicContact CB-CD1 4.35Å; L24-I26 HydrophobicContact CB-CG1 4.16Å; L24-I26 HydrophobicContact CD1-CD1 4.41Å; L24-I26 PolarHBondContact O-N 2.97Å; I26-T30 HydrophobicContact CG2-CG2 3.46Å; I26-T30 VanDerWaalsContact CG2-CG2 3.46Å; I26-R31 HydrophobicContact CB-CG 4.1Å; I26-R31 HydrophobicContact CG2-CG 3.77Å; I26-R31 PolarHBondContact O-NH1 2.78Å; I26-D79 HydrophobicContact CG1-CB 4.27Å | ||
| 27 | D | 97.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 54.5 Ų | 54.5 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | trans | -64.3 | 155.7 | -175.2 | 74.6 | 87.3 | 0 | 0 | 0 | 113.4 | D25 A29 T30 R31 | D25-D27 PolarHBondContact O-N 2.84Å; D27-A29 VanDerWaalsContact C-N 3.33Å; D27-A29 PolarHBondContact O-N 2.84Å; D27-A29 WeakPolarHBondContact OD1-CB 3.37Å; D27-A29 PolarHBondContact OD1-N 2.74Å; D27-T30 PolarHBondContact O-N 2.86Å; D27-T30 PolarHBondContact OD1-N 2.91Å; D27-T30 PolarHBondContact OD1-OG1 2.81Å; D27-T30 WeakPolarHBondContact OD2-CB 3.5Å; D27-T30 PolarHBondContact OD2-OG1 2.85Å; D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 2.8Å | ||
| 28 | F | 96.8 | Very high | 97.3 | Very high | 125 Ų | 125 | 57.4 Ų | 57.4 | 55% | 0.548 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.1 | -39.9 | -173.3 | 179.9 | -104.9 | 0 | 0 | 0 | 113.7 | R31 K32 | F28-R31 PolarHBondContact O-N 3.48Å; F28-K32 HydrophobicContact CD1-CG 4.38Å; F28-K32 HydrophobicContact CD2-CG 4.46Å; F28-K32 HydrophobicContact CE1-CG 3.99Å; F28-K32 HydrophobicContact CE2-CD 4.31Å; F28-K32 HydrophobicContact CE2-CG 4.1Å; F28-K32 HydrophobicContact CZ-CD 4.23Å; F28-K32 HydrophobicContact CZ-CG 3.84Å; F28-K32 WeakPolarHBondContact O-CG 3.48Å; F28-K32 PolarHBondContact O-N 2.79Å |
| 29 | A | 96.8 | Very high | 97.3 | Very high | 62 Ų | 62 | 55.4 Ų | 55.4 | 51% | 0.512 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D27 R31 K32 I33 | D27-A29 VanDerWaalsContact C-N 3.33Å; D27-A29 PolarHBondContact O-N 2.84Å; D27-A29 WeakPolarHBondContact OD1-CB 3.37Å; D27-A29 PolarHBondContact OD1-N 2.74Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 3.11Å; A29-K32 PolarHBondContact O-N 2.87Å; A29-I33 PolarHBondContact O-N 2.95Å |
| 30 | T | 96.6 | Very high | 97.3 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.6 | -45.1 | 174 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | I26 D27 K32 I33 A34 F58 | I26-T30 HydrophobicContact CG2-CG2 3.46Å; I26-T30 VanDerWaalsContact CG2-CG2 3.46Å; D27-T30 PolarHBondContact O-N 2.86Å; D27-T30 PolarHBondContact OD1-N 2.91Å; D27-T30 PolarHBondContact OD1-OG1 2.81Å; D27-T30 WeakPolarHBondContact OD2-CB 3.5Å; D27-T30 PolarHBondContact OD2-OG1 2.85Å; T30-K32 PolarHBondContact O-N 2.95Å; T30-I33 PolarHBondContact O-N 2.85Å; T30-A34 WeakPolarHBondContact O-CB 3.39Å; T30-A34 PolarHBondContact O-N 2.77Å; T30-F58 HydrophobicContact CG2-CE1 4.24Å |
| 31 | R | 97.4 | Very high | 97.3 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 12% | 0.121 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 178.2 | -65.2 | -165 | -44.5 | -94.1 | 6.6 | 112.1 | M21 I26 D27 F28 A29 I33 A34 I35 | M21-R31 HydrophobicContact CB-CG 3.74Å; M21-R31 HydrophobicContact CE-CB 3.9Å; M21-R31 HydrophobicContact CE-CG 4.05Å; M21-R31 HydrophobicContact SD-CG 4.19Å; I26-R31 HydrophobicContact CB-CG 4.1Å; I26-R31 HydrophobicContact CG2-CG 3.77Å; I26-R31 PolarHBondContact O-NH1 2.78Å; D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 2.8Å; F28-R31 PolarHBondContact O-N 3.48Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 3.11Å; R31-I33 VanDerWaalsContact C-N 3.29Å; R31-I33 PolarHBondContact O-N 2.83Å; R31-A34 PolarHBondContact O-N 2.85Å; R31-I35 WeakPolarHBondContact O-CG2 3.39Å; R31-I35 PolarHBondContact O-N 2.84Å; R31-I35 VanDerWaalsContact O-N 3.09Å |
| 32 | K | 96.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 57.6 Ų | 57.6 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.5 | -31.4 | -179.2 | -73 | -54.7 | -175.7 | -156.4 | 0 | 113.5 | E18 F28 A29 T30 I35 H36 | E18-K32 IonicContact OE1-NZ 3.66Å; E18-K32 PolarHBondContact OE1-NZ 3.1Å; E18-K32 IonicContact OE2-NZ 2.75Å; E18-K32 PolarHBondContact OE2-NZ 2.92Å; F28-K32 HydrophobicContact CD1-CG 4.38Å; F28-K32 HydrophobicContact CD2-CG 4.46Å; F28-K32 HydrophobicContact CE1-CG 3.99Å; F28-K32 HydrophobicContact CE2-CD 4.31Å; F28-K32 HydrophobicContact CE2-CG 4.1Å; F28-K32 HydrophobicContact CZ-CD 4.23Å; F28-K32 HydrophobicContact CZ-CG 3.84Å; F28-K32 WeakPolarHBondContact O-CG 3.48Å; F28-K32 PolarHBondContact O-N 2.79Å; A29-K32 PolarHBondContact O-N 2.87Å; T30-K32 PolarHBondContact O-N 2.95Å; K32-I35 HydrophobicContact CD-CD1 4.09Å; K32-H36 PolarHBondContact O-CE1 2.86Å; K32-H36 PolarHBondContact O-ND1 3.46Å |
| 33 | I | 96.4 | Very high | 97.3 | Very high | 80 Ų | 80 | 51.2 Ų | 51.2 | 41% | 0.41 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72 | -51.8 | 171.6 | -63.4 | 168.1 | 0 | 0 | 0 | 109.5 | A29 T30 R31 I35 H36 L37 F58 | A29-I33 PolarHBondContact O-N 2.95Å; T30-I33 PolarHBondContact O-N 2.85Å; R31-I33 VanDerWaalsContact C-N 3.29Å; R31-I33 PolarHBondContact O-N 2.83Å; I33-I35 VanDerWaalsContact C-N 3.35Å; I33-I35 PolarHBondContact O-N 3.47Å; I33-H36 PolarHBondContact O-N 3.08Å; I33-L37 HydrophobicContact CG2-CD1 4.5Å; I33-F58 HydrophobicContact CD1-CZ 4.48Å; I33-F58 HydrophobicContact CG2-CD1 4.18Å; I33-F58 HydrophobicContact CG2-CD2 4.22Å; I33-F58 HydrophobicContact CG2-CE1 4.46Å; I33-F58 HydrophobicContact CG2-CE2 4.49Å; I33-F58 HydrophobicContact CG2-CG 4.07Å |
| 34 | A | 96.2 | Very high | 97.3 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -32.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F17 M21 T30 R31 H36 L37 | F17-A34 HydrophobicContact CE1-CB 4.09Å; M21-A34 HydrophobicContact CE-CB 3.98Å; M21-A34 HydrophobicContact SD-CB 3.71Å; T30-A34 WeakPolarHBondContact O-CB 3.39Å; T30-A34 PolarHBondContact O-N 2.77Å; R31-A34 PolarHBondContact O-N 2.85Å; A34-H36 PolarHBondContact O-N 2.77Å; A34-L37 PolarHBondContact O-N 2.86Å |
| 35 | I | 96.4 | Very high | 97.3 | Very high | 51 Ų | 51 | 55.9 Ų | 55.9 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.9 | 178.8 | 61.7 | 176.7 | 0 | 0 | 0 | 114.2 | F17 E18 M21 R31 K32 I33 | F17-I35 HydrophobicContact CD1-CG2 4.41Å; E18-I35 HydrophobicContact CB-CG2 4.03Å; M21-I35 HydrophobicContact CE-CG2 3.55Å; R31-I35 WeakPolarHBondContact O-CG2 3.39Å; R31-I35 PolarHBondContact O-N 2.84Å; R31-I35 VanDerWaalsContact O-N 3.09Å; K32-I35 HydrophobicContact CD-CD1 4.09Å; I33-I35 VanDerWaalsContact C-N 3.35Å; I33-I35 PolarHBondContact O-N 3.47Å |
| 36 | H | 94.9 | Very high | 97.3 | Very high | 150 Ų | 150 | 56.9 Ų | 56.9 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 3.7 | -179.3 | -63.2 | 97.6 | 0 | 0 | 0 | 112.8 | K32 I33 A34 | K32-H36 PolarHBondContact O-CE1 2.86Å; K32-H36 PolarHBondContact O-ND1 3.46Å; I33-H36 PolarHBondContact O-N 3.08Å; A34-H36 PolarHBondContact O-N 2.77Å |
| 37 | L | 95.3 | Very high | 97.2 | Very high | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -97.1 | 131.1 | -175 | -55.9 | -179.2 | 0 | 0 | 0 | 111.4 | I33 A34 T57 F58 | I33-L37 HydrophobicContact CG2-CD1 4.5Å; A34-L37 PolarHBondContact O-N 2.86Å; L37-T57 WeakPolarHBondContact CD2-OG1 3.33Å; L37-F58 HydrophobicContact CD1-CB 3.29Å; L37-F58 HydrophobicContact CD1-CD1 4.34Å; L37-F58 HydrophobicContact CD1-CG 4.2Å |
| 38 | T | 96.6 | Very high | 97.2 | Very high | 86 Ų | 86 | 57.9 Ų | 57.9 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 130.5 | 164 | -57.4 | 0 | 0 | 0 | 0 | 109.3 | E10 M11 | E10-T38 HydrophobicContact CG-CG2 4.11Å; M11-T38 HydrophobicContact CB-CG2 4.16Å |
| 39 | Q | 97.8 | Very high | 97.3 | Very high | 28 Ų | 28 | 58 Ų | 58 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -99.7 | 146.3 | 176.1 | -58.1 | -178.7 | 0.5 | 0 | 0 | 111 | M11 T54 K55 F131 | M11-Q39 HydrophobicContact CB-CB 4.44Å; M11-Q39 VanDerWaalsContact CB-O 3.24Å; M11-Q39 WeakPolarHBondContact CB-O 3.45Å; M11-Q39 HydrophobicContact CE-CB 3.73Å; M11-Q39 HydrophobicContact CE-CG 3.76Å; M11-Q39 PolarHBondContact N-O 2.95Å; M11-Q39 HydrophobicContact SD-CB 4.17Å; M11-Q39 HydrophobicContact SD-CG 4.17Å; Q39-T54 HydrophobicContact CB-CG2 4.33Å; Q39-K55 CarbonylContact C-O 3.57Å; Q39-K55 VanDerWaalsContact CA-O 3.32Å; Q39-K55 WeakPolarHBondContact CA-O 3.37Å; Q39-F131 HydrophobicContact CB-CE1 4.1Å |
| 40 | T | 98.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126 | 167.6 | -61.4 | 0 | 0 | 0 | 0 | 109 | T8 W9 I42 T54 K55 | T8-T40 HydrophobicContact CG2-CG2 3.54Å; W9-T40 CarbonylContact O-C 3.5Å; W9-T40 VanDerWaalsContact O-CA 3.32Å; W9-T40 WeakPolarHBondContact O-CA 3.45Å; T40-I42 HydrophobicContact CG2-CG1 4.4Å; T40-T54 WeakPolarHBondContact O-CA 3.31Å; T40-K55 PolarHBondContact N-O 2.81Å; T40-K55 PolarHBondContact O-N 3.04Å |
| 41 | K | 98.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.7 | 173.8 | -166.1 | -177.5 | -71.6 | -74.6 | 0 | 109.8 | T8 W9 I43 Q53 T54 Q109 L116 F131 | T8-K41 CarbonylContact C-O 3.55Å; T8-K41 WeakPolarHBondContact CA-O 3.2Å; W9-K41 HydrophobicContact CB-CB 4.33Å; W9-K41 PolarHBondContact N-O 2.89Å; W9-K41 PolarHBondContact O-N 3.2Å; K41-I43 HydrophobicContact CD-CD1 3.8Å; K41-I43 HydrophobicContact CD-CG1 3.96Å; K41-I43 HydrophobicContact CG-CD1 4.34Å; K41-I43 HydrophobicContact CG-CG1 3.99Å; K41-Q53 CarbonylContact C-O 3.45Å; K41-Q53 VanDerWaalsContact CA-O 3.29Å; K41-Q53 WeakPolarHBondContact CA-O 3.33Å; K41-T54 PolarHBondContact NZ-OG1 3.27Å; K41-Q109 VanDerWaalsContact CE-OE1 3.28Å; K41-L116 HydrophobicContact CD-CD2 3.8Å; K41-F131 HydrophobicContact CB-CE1 4.38Å |
| 42 | I | 98.8 | Very high | 97.6 | Very high | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.179 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.9 | 173.8 | -54.7 | 167.5 | 0 | 0 | 0 | 106.4 | T8 T40 T52 Q53 K55 | T8-I42 HydrophobicContact CG2-CG1 4.23Å; T40-I42 HydrophobicContact CG2-CG1 4.4Å; I42-T52 WeakPolarHBondContact O-CA 3.43Å; I42-Q53 HydrophobicContact CB-CB 4.28Å; I42-Q53 PolarHBondContact N-O 3.07Å; I42-Q53 PolarHBondContact O-N 2.91Å; I42-K55 HydrophobicContact CD1-CD 4.02Å |
| 43 | I | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 119.9 | -179 | -58.4 | 177.4 | 0 | 0 | 0 | 108.1 | Q5 N6 G7 K41 Q45 F50 T52 L116 | Q5-I43 HydrophobicContact CB-CD1 4.21Å; Q5-I43 HydrophobicContact CB-CG2 4.44Å; Q5-I43 WeakPolarHBondContact O-CB 3.47Å; N6-I43 PolarHBondContact OD1-O 2.94Å; G7-I43 PolarHBondContact N-O 3.01Å; G7-I43 VanDerWaalsContact N-O 3.09Å; G7-I43 PolarHBondContact O-N 2.58Å; K41-I43 HydrophobicContact CD-CD1 3.8Å; K41-I43 HydrophobicContact CD-CG1 3.96Å; K41-I43 HydrophobicContact CG-CD1 4.34Å; K41-I43 HydrophobicContact CG-CG1 3.99Å; I43-Q45 HydrophobicContact CG2-CB 4.33Å; I43-F50 HydrophobicContact CG2-CD1 3.9Å; I43-F50 HydrophobicContact CG2-CE1 4.12Å; I43-T52 HydrophobicContact CG1-CG2 4.42Å; I43-L116 HydrophobicContact CD1-CD1 3.95Å; I43-L116 HydrophobicContact CD1-CD2 4.45Å |
| 44 | E | 98.7 | Very high | 97.7 | Very high | 99 Ų | 99 | 54 Ų | 54 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.1 | 163.8 | -64 | 171.2 | -159.4 | 0 | 0 | 107.6 | N6 F50 K51 | N6-E44 WeakPolarHBondContact OD1-CA 3.26Å; E44-F50 WeakPolarHBondContact O-CA 3.32Å; E44-K51 HydrophobicContact CB-CB 4.28Å; E44-K51 PolarHBondContact N-O 3.05Å; E44-K51 PolarHBondContact O-N 2.88Å |
| 45 | Q | 98.4 | Very high | 97.8 | Very high | 28 Ų | 28 | 57.3 Ų | 57.3 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.2 | -177.3 | 175.5 | -173.2 | -5.1 | 0 | 0 | 110.2 | R3 N6 I43 G47 K49 F50 | R3-Q45 PolarHBondContact O-NE2 2.96Å; R3-Q45 PolarHBondContact O-OE1 2.7Å; N6-Q45 PolarHBondContact ND2-O 3Å; N6-Q45 VanDerWaalsContact ND2-O 3.08Å; N6-Q45 PolarHBondContact OD1-N 2.77Å; I43-Q45 HydrophobicContact CG2-CB 4.33Å; Q45-G47 VanDerWaalsContact CG-O 3.28Å; Q45-G47 WeakPolarHBondContact CG-O 3.36Å; Q45-G47 PolarHBondContact NE2-O 2.91Å; Q45-K49 WeakPolarHBondContact CA-O 3.09Å; Q45-F50 HydrophobicContact CB-CD1 4.09Å; Q45-F50 HydrophobicContact CB-CE1 3.88Å; Q45-F50 HydrophobicContact CB-CZ 4.21Å; Q45-F50 HydrophobicContact CG-CD1 4.21Å; Q45-F50 HydrophobicContact CG-CD2 4.32Å; Q45-F50 HydrophobicContact CG-CE1 3.71Å; Q45-F50 HydrophobicContact CG-CE2 3.82Å; Q45-F50 HydrophobicContact CG-CG 4.5Å; Q45-F50 HydrophobicContact CG-CZ 3.5Å; Q45-F50 VanDerWaalsContact NE2-CZ 3.34Å |
| 46 | D | 98.1 | Very high | 97.8 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 91.4 | 171.3 | 176 | 25.5 | 0 | 0 | 0 | 108.8 | D48 K49 | D46-D48 PolarHBondContact O-N 2.81Å; D46-D48 VanDerWaalsContact O-N 3.09Å; D46-K49 HydrophobicContact CB-CB 4.49Å; D46-K49 PolarHBondContact N-O 2.9Å; D46-K49 WeakPolarHBondContact O-CB 3.27Å; D46-K49 PolarHBondContact O-N 3.27Å |
| 47 | G | 96.4 | Very high | 97.7 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -111.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q45 | Q45-G47 VanDerWaalsContact CG-O 3.28Å; Q45-G47 WeakPolarHBondContact CG-O 3.36Å; Q45-G47 PolarHBondContact NE2-O 2.91Å |
| 48 | D | 98 | Very high | 97.5 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.8 | 177.8 | -74.1 | -35.7 | 0 | 0 | 0 | 113.5 | D46 T66 V67 W89 | D46-D48 PolarHBondContact O-N 2.81Å; D46-D48 VanDerWaalsContact O-N 3.09Å; D48-T66 HydrophobicContact CB-CG2 4.46Å; D48-T66 CarbonylContact O-C 3.55Å; D48-T66 VanDerWaalsContact O-CA 3.3Å; D48-T66 WeakPolarHBondContact O-CA 3.09Å; D48-V67 HydrophobicContact CB-CB 3.96Å; D48-V67 HydrophobicContact CB-CG2 4.31Å; D48-V67 PolarHBondContact O-N 2.76Å; D48-W89 PolarHBondContact OD1-NE1 2.84Å |
| 49 | K | 98.6 | Very high | 97.3 | Very high | 127 Ų | 127 | 59.4 Ų | 59.4 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.7 | 175.5 | -62.1 | 177.1 | -176.4 | 169.1 | 0 | 109.7 | Q45 D46 T66 | Q45-K49 WeakPolarHBondContact CA-O 3.09Å; D46-K49 HydrophobicContact CB-CB 4.49Å; D46-K49 PolarHBondContact N-O 2.9Å; D46-K49 WeakPolarHBondContact O-CB 3.27Å; D46-K49 PolarHBondContact O-N 3.27Å; K49-T66 HydrophobicContact CG-CG2 4.33Å |
| 50 | F | 98.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.5 | 179.9 | -76.5 | -102.8 | 0 | 0 | 0 | 110.2 | Q5 I43 E44 Q45 T52 D64 F65 V67 W89 L94 | Q5-F50 HydrophobicContact CB-CE1 4.46Å; I43-F50 HydrophobicContact CG2-CD1 3.9Å; I43-F50 HydrophobicContact CG2-CE1 4.12Å; E44-F50 WeakPolarHBondContact O-CA 3.32Å; Q45-F50 HydrophobicContact CB-CD1 4.09Å; Q45-F50 HydrophobicContact CB-CE1 3.88Å; Q45-F50 HydrophobicContact CB-CZ 4.21Å; Q45-F50 HydrophobicContact CG-CD1 4.21Å; Q45-F50 HydrophobicContact CG-CD2 4.32Å; Q45-F50 HydrophobicContact CG-CE1 3.71Å; Q45-F50 HydrophobicContact CG-CE2 3.82Å; Q45-F50 HydrophobicContact CG-CG 4.5Å; Q45-F50 HydrophobicContact CG-CZ 3.5Å; Q45-F50 VanDerWaalsContact NE2-CZ 3.34Å; F50-T52 HydrophobicContact CB-CG2 4.27Å; F50-T52 HydrophobicContact CD1-CG2 4.49Å; F50-D64 CarbonylContact O-C 3.54Å; F50-D64 VanDerWaalsContact O-CA 3.24Å; F50-D64 WeakPolarHBondContact O-CA 3.39Å; F50-F65 HydrophobicContact CB-CD1 4.1Å; F50-F65 HydrophobicContact CB-CD2 4.02Å; F50-F65 HydrophobicContact CB-CE1 3.71Å; F50-F65 HydrophobicContact CB-CE2 3.61Å; F50-F65 HydrophobicContact CB-CG 4.24Å; F50-F65 HydrophobicContact CB-CZ 3.44Å; F50-F65 VanDerWaalsContact CB-CZ 3.44Å; F50-F65 HydrophobicContact CD1-CE2 4.38Å; F50-F65 AromaticContact CD1-CZ 4Å; F50-F65 HydrophobicContact CD1-CZ 4Å; F50-F65 HydrophobicContact CD2-CD2 4.26Å; F50-F65 AromaticContact CD2-CE2 3.57Å; F50-F65 HydrophobicContact CD2-CE2 3.57Å; F50-F65 HydrophobicContact CD2-CZ 4.02Å; F50-F65 HydrophobicContact CE2-CE2 4.34Å; F50-F65 HydrophobicContact CG-CD2 4.38Å; F50-F65 HydrophobicContact CG-CE1 4.3Å; F50-F65 AromaticContact CG-CE2 3.59Å; F50-F65 HydrophobicContact CG-CE2 3.59Å; F50-F65 AromaticContact CG-CZ 3.55Å; F50-F65 HydrophobicContact CG-CZ 3.55Å; F50-F65 PolarHBondContact N-O 3.29Å; F50-F65 PolarHBondContact O-N 2.88Å; F50-V67 HydrophobicContact CD2-CG2 4Å; F50-V67 HydrophobicContact CE2-CG2 3.73Å; F50-W89 HydrophobicContact CE2-CZ2 4.08Å; F50-W89 HydrophobicContact CZ-CH2 4.11Å; F50-W89 AromaticContact CZ-CZ2 3.82Å; F50-W89 HydrophobicContact CZ-CZ2 3.82Å; F50-L94 HydrophobicContact CD1-CD1 4.43Å; F50-L94 HydrophobicContact CE1-CD1 3.82Å; F50-L94 HydrophobicContact CE2-CD1 4.41Å; F50-L94 HydrophobicContact CE2-CD2 4.44Å; F50-L94 HydrophobicContact CZ-CD1 3.8Å; F50-L94 HydrophobicContact CZ-CD2 4.38Å |
| 51 | K | 98.8 | Very high | 97 | Very high | 111 Ų | 111 | 62.7 Ų | 62.7 | 48% | 0.483 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.6 | 159.2 | -54 | -177 | -178.3 | 170.9 | 0 | 108 | E44 D64 | E44-K51 HydrophobicContact CB-CB 4.28Å; E44-K51 PolarHBondContact N-O 3.05Å; E44-K51 PolarHBondContact O-N 2.88Å; K51-D64 VanDerWaalsContact CA-OD1 3.28Å; K51-D64 WeakPolarHBondContact CA-OD1 3.38Å; K51-D64 WeakPolarHBondContact CB-OD1 3.28Å; K51-D64 HydrophobicContact CG-CB 4.5Å |
| 52 | T | 98.5 | Very high | 97 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.6 | -176.2 | 73.4 | 0 | 0 | 0 | 0 | 110.8 | I42 I43 F50 N62 V63 F65 | I42-T52 WeakPolarHBondContact O-CA 3.43Å; I43-T52 HydrophobicContact CG1-CG2 4.42Å; F50-T52 HydrophobicContact CB-CG2 4.27Å; F50-T52 HydrophobicContact CD1-CG2 4.49Å; T52-N62 VanDerWaalsContact O-CA 3.25Å; T52-N62 WeakPolarHBondContact O-CA 3.38Å; T52-V63 PolarHBondContact N-O 3.4Å; T52-V63 PolarHBondContact O-N 2.68Å; T52-V63 WeakPolarHBondContact OG1-CG1 3.47Å; T52-V63 PolarHBondContact OG1-O 3.49Å; T52-F65 HydrophobicContact CG2-CE1 4Å |
| 53 | Q | 98.4 | Very high | 96.9 | Very high | 50 Ų | 50 | 65.6 Ų | 65.6 | 23% | 0.234 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.6 | 174.6 | -53.3 | 174.9 | 30.4 | 0 | 0 | 107.9 | K41 I42 N62 | K41-Q53 CarbonylContact C-O 3.45Å; K41-Q53 VanDerWaalsContact CA-O 3.29Å; K41-Q53 WeakPolarHBondContact CA-O 3.33Å; I42-Q53 HydrophobicContact CB-CB 4.28Å; I42-Q53 PolarHBondContact N-O 3.07Å; I42-Q53 PolarHBondContact O-N 2.91Å; Q53-N62 WeakPolarHBondContact CB-OD1 3.09Å; Q53-N62 WeakPolarHBondContact CG-OD1 3.39Å |
| 54 | T | 97.9 | Very high | 96.9 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 14% | 0.135 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 117 | 171.5 | -54.4 | 0 | 0 | 0 | 0 | 107.7 | Q39 T40 K41 N60 Y61 | Q39-T54 HydrophobicContact CB-CG2 4.33Å; T40-T54 WeakPolarHBondContact O-CA 3.31Å; K41-T54 PolarHBondContact NZ-OG1 3.27Å; T54-N60 CarbonylContact O-C 3.56Å; T54-N60 WeakPolarHBondContact O-CA 3.3Å; T54-Y61 PolarHBondContact N-O 3.44Å; T54-Y61 PolarHBondContact O-N 2.85Å |
| 55 | K | 97.4 | Very high | 96.9 | Very high | 81 Ų | 81 | 65.6 Ų | 65.6 | 35% | 0.352 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.7 | -172.5 | -64 | -178.1 | 179.8 | 171.9 | 0 | 111.7 | Q39 T40 I42 N60 | Q39-K55 CarbonylContact C-O 3.57Å; Q39-K55 VanDerWaalsContact CA-O 3.32Å; Q39-K55 WeakPolarHBondContact CA-O 3.37Å; T40-K55 PolarHBondContact N-O 2.81Å; T40-K55 PolarHBondContact O-N 3.04Å; I42-K55 HydrophobicContact CD1-CD 4.02Å; K55-N60 WeakPolarHBondContact CA-OD1 3.24Å |
| 56 | S | 96.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 66.9 Ų | 66.9 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | trans | -146.2 | 172.3 | 168.5 | 73.3 | 0 | 0 | 0 | 0 | 109.8 | F58 R59 N60 | S56-F58 PolarHBondContact O-N 3.41Å; S56-F58 PolarHBondContact OG-N 2.96Å; S56-R59 PolarHBondContact N-O 2.86Å; S56-R59 PolarHBondContact OG-N 3.1Å; S56-R59 PolarHBondContact OG-O 2.8Å; S56-N60 PolarHBondContact N-OD1 2.78Å; S56-N60 PolarHBondContact O-OD1 3.13Å | ||
| 57 | T | 93 | Very high | 97 | Very high | 136 Ų | 136 | 62 Ų | 62 | 83% | 0.834 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -70.8 | -9.6 | 174.9 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | L37 | L37-T57 WeakPolarHBondContact CD2-OG1 3.33Š|
| 58 | F | 91.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 62 Ų | 62 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -108 | -57.2 | -178.2 | -175.2 | -126.9 | 0 | 0 | 0 | 112.5 | T30 I33 L37 S56 | T30-F58 HydrophobicContact CG2-CE1 4.24Å; I33-F58 HydrophobicContact CD1-CZ 4.48Å; I33-F58 HydrophobicContact CG2-CD1 4.18Å; I33-F58 HydrophobicContact CG2-CD2 4.22Å; I33-F58 HydrophobicContact CG2-CE1 4.46Å; I33-F58 HydrophobicContact CG2-CE2 4.49Å; I33-F58 HydrophobicContact CG2-CG 4.07Å; L37-F58 HydrophobicContact CD1-CB 3.29Å; L37-F58 HydrophobicContact CD1-CD1 4.34Å; L37-F58 HydrophobicContact CD1-CG 4.2Å; S56-F58 PolarHBondContact O-N 3.41Å; S56-F58 PolarHBondContact OG-N 2.96Å |
| 59 | R | 90.8 | Very high | 97.1 | Very high | 107 Ų | 107 | 62.2 Ų | 62.2 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | trans | -138.4 | 147.2 | -179.1 | -64.7 | -163.3 | -176.3 | -176.1 | 1.9 | 111.8 | S56 G77 | S56-R59 PolarHBondContact N-O 2.86Å; S56-R59 PolarHBondContact OG-N 3.1Å; S56-R59 PolarHBondContact OG-O 2.8Å; R59-G77 WeakPolarHBondContact CD-O 3.41Å; R59-G77 PolarHBondContact NH1-O 3.02Å | ||
| 60 | N | 94.6 | Very high | 97.1 | Very high | 96 Ų | 96 | 60.7 Ų | 60.7 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | trans | -118.9 | 142.7 | 178.1 | -59.4 | -40.1 | 0 | 0 | 0 | 108.9 | T54 K55 S56 | T54-N60 CarbonylContact O-C 3.56Å; T54-N60 WeakPolarHBondContact O-CA 3.3Å; K55-N60 WeakPolarHBondContact CA-OD1 3.24Å; S56-N60 PolarHBondContact N-OD1 2.78Å; S56-N60 PolarHBondContact O-OD1 3.13Å | ||
| 61 | Y | 97.2 | Very high | 97.1 | Very high | 32 Ų | 32 | 62.7 Ų | 62.7 | 13% | 0.125 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 129.9 | -179 | -176.7 | -112.4 | 0 | 0 | 0 | 110.2 | T54 V63 E73 L78 | T54-Y61 PolarHBondContact N-O 3.44Å; T54-Y61 PolarHBondContact O-N 2.85Å; Y61-V63 HydrophobicContact CE1-CB 3.92Å; Y61-V63 HydrophobicContact CE1-CG1 3.96Å; Y61-E73 WeakPolarHBondContact OH-CG 3.39Å; Y61-E73 PolarHBondContact OH-OE1 2.8Å; Y61-L78 HydrophobicContact CD1-CD1 3.91Å; Y61-L78 HydrophobicContact CD2-CD1 3.92Å; Y61-L78 HydrophobicContact CD2-CG 4.12Å; Y61-L78 HydrophobicContact CE1-CD1 4.21Å; Y61-L78 HydrophobicContact CE2-CD1 4.26Å; Y61-L78 HydrophobicContact CG-CD1 3.75Å; Y61-L78 HydrophobicContact CG-CG 4.2Å |
| 62 | N | 97.1 | Very high | 97.1 | Very high | 95 Ų | 95 | 64 Ų | 64 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.2 | 178 | -61.1 | -11.9 | 0 | 0 | 0 | 109 | T52 Q53 | T52-N62 VanDerWaalsContact O-CA 3.25Å; T52-N62 WeakPolarHBondContact O-CA 3.38Å; Q53-N62 WeakPolarHBondContact CB-OD1 3.09Å; Q53-N62 WeakPolarHBondContact CG-OD1 3.39Å |
| 63 | V | 97.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 126.4 | 171.7 | 62.1 | 0 | 0 | 0 | 0 | 109.4 | T52 Y61 F65 F71 E73 | T52-V63 PolarHBondContact N-O 3.4Å; T52-V63 PolarHBondContact O-N 2.68Å; T52-V63 WeakPolarHBondContact OG1-CG1 3.47Å; T52-V63 PolarHBondContact OG1-O 3.49Å; Y61-V63 HydrophobicContact CE1-CB 3.92Å; Y61-V63 HydrophobicContact CE1-CG1 3.96Å; V63-F65 HydrophobicContact CG2-CD1 4.42Å; V63-F71 HydrophobicContact CG2-CE2 3.79Å; V63-F71 HydrophobicContact CG2-CZ 3.75Å; V63-E73 HydrophobicContact CG2-CG 4.37Å |
| 64 | D | 98.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 65.6 Ų | 65.6 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.8 | 176.7 | -67.6 | 4.8 | 0 | 0 | 0 | 107.8 | F50 K51 | F50-D64 CarbonylContact O-C 3.54Å; F50-D64 VanDerWaalsContact O-CA 3.24Å; F50-D64 WeakPolarHBondContact O-CA 3.39Å; K51-D64 VanDerWaalsContact CA-OD1 3.28Å; K51-D64 WeakPolarHBondContact CA-OD1 3.38Å; K51-D64 WeakPolarHBondContact CB-OD1 3.28Å; K51-D64 HydrophobicContact CG-CB 4.5Å |
| 65 | F | 98.8 | Very high | 97 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 163 | -177.9 | 59.9 | -91.9 | 0 | 0 | 0 | 111.6 | F50 T52 V63 V67 F71 V87 L94 W107 | F50-F65 HydrophobicContact CB-CD1 4.1Å; F50-F65 HydrophobicContact CB-CD2 4.02Å; F50-F65 HydrophobicContact CB-CE1 3.71Å; F50-F65 HydrophobicContact CB-CE2 3.61Å; F50-F65 HydrophobicContact CB-CG 4.24Å; F50-F65 HydrophobicContact CB-CZ 3.44Å; F50-F65 VanDerWaalsContact CB-CZ 3.44Å; F50-F65 HydrophobicContact CD1-CE2 4.38Å; F50-F65 AromaticContact CD1-CZ 4Å; F50-F65 HydrophobicContact CD1-CZ 4Å; F50-F65 HydrophobicContact CD2-CD2 4.26Å; F50-F65 AromaticContact CD2-CE2 3.57Å; F50-F65 HydrophobicContact CD2-CE2 3.57Å; F50-F65 HydrophobicContact CD2-CZ 4.02Å; F50-F65 HydrophobicContact CE2-CE2 4.34Å; F50-F65 HydrophobicContact CG-CD2 4.38Å; F50-F65 HydrophobicContact CG-CE1 4.3Å; F50-F65 AromaticContact CG-CE2 3.59Å; F50-F65 HydrophobicContact CG-CE2 3.59Å; F50-F65 AromaticContact CG-CZ 3.55Å; F50-F65 HydrophobicContact CG-CZ 3.55Å; F50-F65 PolarHBondContact N-O 3.29Å; F50-F65 PolarHBondContact O-N 2.88Å; T52-F65 HydrophobicContact CG2-CE1 4Å; V63-F65 HydrophobicContact CG2-CD1 4.42Å; F65-V67 HydrophobicContact CD2-CG2 4.47Å; F65-V67 HydrophobicContact CE2-CG2 4.15Å; F65-F71 HydrophobicContact CB-CD1 4.11Å; F65-F71 HydrophobicContact CB-CE1 3.49Å; F65-F71 VanDerWaalsContact CB-CE1 3.49Å; F65-F71 HydrophobicContact CB-CZ 3.83Å; F65-F71 HydrophobicContact CG-CE1 4.44Å; F65-V87 HydrophobicContact CD1-CG2 4.45Å; F65-V87 HydrophobicContact CD2-CB 3.89Å; F65-V87 HydrophobicContact CD2-CG1 4.25Å; F65-V87 HydrophobicContact CD2-CG2 3.77Å; F65-V87 HydrophobicContact CE2-CB 3.93Å; F65-V87 HydrophobicContact CE2-CG1 3.75Å; F65-V87 HydrophobicContact CE2-CG2 3.93Å; F65-V87 HydrophobicContact CG-CG2 4.05Å; F65-V87 HydrophobicContact CZ-CG1 4.32Å; F65-V87 HydrophobicContact CZ-CG2 4.34Å; F65-L94 HydrophobicContact CZ-CD1 4.34Å; F65-W107 HydrophobicContact CE1-CH2 4.44Å; F65-W107 HydrophobicContact CE1-CZ2 4.48Å; F65-W107 HydrophobicContact CZ-CH2 4.12Å |
| 66 | T | 98.8 | Very high | 96.8 | Very high | 55 Ų | 55 | 67.7 Ų | 67.7 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.5 | 166.5 | -58.3 | 0 | 0 | 0 | 0 | 108.1 | D48 K49 G68 V69 | D48-T66 HydrophobicContact CB-CG2 4.46Å; D48-T66 CarbonylContact O-C 3.55Å; D48-T66 VanDerWaalsContact O-CA 3.3Å; D48-T66 WeakPolarHBondContact O-CA 3.09Å; K49-T66 HydrophobicContact CG-CG2 4.33Å; T66-G68 PolarHBondContact O-N 3.21Å; T66-V69 HydrophobicContact CG2-CG2 4.03Å; T66-V69 PolarHBondContact O-N 3.26Å; T66-V69 VanDerWaalsContact O-N 3.08Å |
| 67 | V | 98.8 | Very high | 96.4 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 134.9 | 179.8 | -176 | 0 | 0 | 0 | 0 | 109.9 | D48 F50 F65 V69 V87 W89 L94 | D48-V67 HydrophobicContact CB-CB 3.96Å; D48-V67 HydrophobicContact CB-CG2 4.31Å; D48-V67 PolarHBondContact O-N 2.76Å; F50-V67 HydrophobicContact CD2-CG2 4Å; F50-V67 HydrophobicContact CE2-CG2 3.73Å; F65-V67 HydrophobicContact CD2-CG2 4.47Å; F65-V67 HydrophobicContact CE2-CG2 4.15Å; V67-V69 VanDerWaalsContact C-N 3.31Å; V67-V69 PolarHBondContact O-N 2.76Å; V67-V87 WeakPolarHBondContact CG1-O 3.46Å; V67-W89 HydrophobicContact CG1-CG 4.17Å; V67-L94 HydrophobicContact CG2-CD2 3.79Å |
| 68 | G | 98.7 | Very high | 96.5 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 54% | 0.536 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -2.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T66 V87 | T66-G68 PolarHBondContact O-N 3.21Å; G68-V87 PolarHBondContact N-O 2.89Å |
| 69 | V | 98.8 | Very high | 96.7 | Very high | 82 Ų | 82 | 61.5 Ų | 61.5 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | trans | -112.1 | 117.7 | 179.8 | -175.5 | 0 | 0 | 0 | 0 | 110 | T66 V67 | T66-V69 HydrophobicContact CG2-CG2 4.03Å; T66-V69 PolarHBondContact O-N 3.26Å; T66-V69 VanDerWaalsContact O-N 3.08Å; V67-V69 VanDerWaalsContact C-N 3.31Å; V67-V69 PolarHBondContact O-N 2.76Å | ||
| 70 | E | 98.8 | Very high | 97 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | trans | -71.7 | 139.6 | 175.1 | -168 | 178.8 | 83.5 | 0 | 0 | 110.7 | K84 T85 L86 | E70-K84 HydrophobicContact CG-CB 4.42Å; E70-T85 CarbonylContact C-O 3.59Å; E70-T85 VanDerWaalsContact CA-O 3.3Å; E70-T85 WeakPolarHBondContact CA-O 3.35Å; E70-L86 HydrophobicContact CB-CB 4.46Å; E70-L86 HydrophobicContact CB-CD1 4.39Å; E70-L86 HydrophobicContact CG-CB 4.41Å | ||
| 71 | F | 98.8 | Very high | 97.2 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 20% | 0.197 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 166.1 | -179.9 | 67.9 | -78.3 | 0 | 0 | 0 | 112.1 | V63 F65 E73 T85 | V63-F71 HydrophobicContact CG2-CE2 3.79Å; V63-F71 HydrophobicContact CG2-CZ 3.75Å; F65-F71 HydrophobicContact CB-CD1 4.11Å; F65-F71 HydrophobicContact CB-CE1 3.49Å; F65-F71 VanDerWaalsContact CB-CE1 3.49Å; F65-F71 HydrophobicContact CB-CZ 3.83Å; F65-F71 HydrophobicContact CG-CE1 4.44Å; F71-E73 HydrophobicContact CD2-CB 4.29Å; F71-E73 HydrophobicContact CE2-CB 3.72Å; F71-E73 HydrophobicContact CE2-CG 4.19Å; F71-E73 HydrophobicContact CZ-CB 4.39Å; F71-T85 HydrophobicContact CD1-CG2 4.46Å; F71-T85 VanDerWaalsContact CD1-O 3.24Å; F71-T85 WeakPolarHBondContact CD1-O 3.32Å; F71-T85 HydrophobicContact CE1-CG2 3.52Å; F71-T85 HydrophobicContact CE2-CG2 4.45Å; F71-T85 HydrophobicContact CZ-CG2 3.51Å; F71-T85 PolarHBondContact N-O 3.35Å; F71-T85 PolarHBondContact O-N 2.91Å |
| 72 | E | 98.5 | Very high | 97.2 | Very high | 139 Ų | 139 | 65 Ų | 65 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.3 | 170.1 | -68.9 | -173.4 | -179 | 0 | 0 | 110 | K84 | E72-K84 HydrophobicContact CG-CD 4.06Å; E72-K84 WeakPolarHBondContact OE1-CE 3.19Å; E72-K84 IonicContact OE1-NZ 2.74Å; E72-K84 PolarHBondContact OE1-NZ 3.35Å |
| 73 | E | 98.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.2 | 176.5 | -174.9 | -179.4 | -175.7 | 0 | 0 | 109.2 | Y61 V63 F71 T75 K82 V83 T85 Q98 | Y61-E73 WeakPolarHBondContact OH-CG 3.39Å; Y61-E73 PolarHBondContact OH-OE1 2.8Å; V63-E73 HydrophobicContact CG2-CG 4.37Å; F71-E73 HydrophobicContact CD2-CB 4.29Å; F71-E73 HydrophobicContact CE2-CB 3.72Å; F71-E73 HydrophobicContact CE2-CG 4.19Å; F71-E73 HydrophobicContact CZ-CB 4.39Å; E73-T75 HydrophobicContact CG-CG2 4.25Å; E73-K82 WeakPolarHBondContact O-CA 3.47Å; E73-V83 HydrophobicContact CB-CG2 3.89Å; E73-V83 HydrophobicContact CG-CG2 4.45Å; E73-V83 PolarHBondContact N-O 3.28Å; E73-V83 PolarHBondContact O-N 3.46Å; E73-T85 WeakPolarHBondContact CB-OG1 3.5Å; E73-T85 WeakPolarHBondContact OE2-CB 3.36Å; E73-T85 VanDerWaalsContact OE2-CG2 3.31Å; E73-T85 WeakPolarHBondContact OE2-CG2 2.88Å; E73-T85 PolarHBondContact OE2-OG1 2.79Å; E73-Q98 VanDerWaalsContact CD-NE2 3.28Å; E73-Q98 PolarHBondContact OE1-NE2 2.91Å; E73-Q98 PolarHBondContact OE2-NE2 3.07Å |
| 74 | H | 98 | Very high | 97.3 | Very high | 80 Ų | 80 | 64 Ų | 64 | 37% | 0.37 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112.1 | 168.1 | -177.1 | -170.8 | 0 | 0 | 0 | 108.3 | K76 D80 R81 K82 | H74-K76 PolarHBondContact O-N 2.93Å; H74-D80 IonicContact CD2-OD1 2.81Å; H74-D80 IonicContact CE1-OD1 3.23Å; H74-D80 PolarHBondContact CE1-OD1 3.32Å; H74-D80 IonicContact NE2-OD1 3.8Å; H74-D80 PolarHBondContact NE2-OD1 2.96Å; H74-R81 WeakPolarHBondContact CA-O 3.18Å; H74-R81 PolarHBondContact CD2-O 3.15Å; H74-K82 HydrophobicContact CB-CG 4.37Å |
| 75 | T | 96.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | trans | -78 | 45.5 | -179.9 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | E73 G77 L78 D79 D80 R81 | E73-T75 HydrophobicContact CG-CG2 4.25Å; T75-G77 PolarHBondContact O-N 2.79Å; T75-L78 WeakPolarHBondContact O-CA 3.44Å; T75-L78 WeakPolarHBondContact O-CB 3.16Å; T75-L78 PolarHBondContact O-N 2.9Å; T75-D79 VanDerWaalsContact CB-OD1 3.26Å; T75-D79 WeakPolarHBondContact CB-OD1 3.38Å; T75-D79 PolarHBondContact OG1-OD1 3.3Å; T75-D80 PolarHBondContact O-N 2.94Å; T75-D80 VanDerWaalsContact O-N 3.13Å; T75-R81 PolarHBondContact N-O 2.95Å; T75-R81 PolarHBondContact OG1-N 3.24Å; T75-R81 VanDerWaalsContact OG1-N 3.07Å; T75-R81 PolarHBondContact OG1-O 3.17Å | ||
| 76 | K | 92.5 | Very high | 97.3 | Very high | 145 Ų | 145 | 61.7 Ų | 61.7 | 63% | 0.63 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 133.3 | -178.4 | -174 | 177.1 | -179.6 | 178.2 | 0 | 110.1 | H74 L78 | H74-K76 PolarHBondContact O-N 2.93Å; K76-L78 PolarHBondContact O-N 2.52Å |
| 77 | G | 87.9 | Confident | 97.3 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -1.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | R59 T75 | R59-G77 WeakPolarHBondContact CD-O 3.41Å; R59-G77 PolarHBondContact NH1-O 3.02Å; T75-G77 PolarHBondContact O-N 2.79Å |
| 78 | L | 94.7 | Very high | 97.3 | Very high | 78 Ų | 78 | 60.7 Ų | 60.7 | 41% | 0.408 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -106.4 | 166.8 | -55.4 | 179 | 0 | 0 | 0 | 108.7 | Y61 T75 K76 | Y61-L78 HydrophobicContact CD1-CD1 3.91Å; Y61-L78 HydrophobicContact CD2-CD1 3.92Å; Y61-L78 HydrophobicContact CD2-CG 4.12Å; Y61-L78 HydrophobicContact CE1-CD1 4.21Å; Y61-L78 HydrophobicContact CE2-CD1 4.26Å; Y61-L78 HydrophobicContact CG-CD1 3.75Å; Y61-L78 HydrophobicContact CG-CG 4.2Å; T75-L78 WeakPolarHBondContact O-CA 3.44Å; T75-L78 WeakPolarHBondContact O-CB 3.16Å; T75-L78 PolarHBondContact O-N 2.9Å; K76-L78 PolarHBondContact O-N 2.52Å |
| 79 | D | 96.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 3.7 | 176.9 | 70.7 | -51.6 | 0 | 0 | 0 | 113.7 | L24 I26 T75 R81 R105 | L24-D79 HydrophobicContact CB-CB 4.26Å; I26-D79 HydrophobicContact CG1-CB 4.27Å; T75-D79 VanDerWaalsContact CB-OD1 3.26Å; T75-D79 WeakPolarHBondContact CB-OD1 3.38Å; T75-D79 PolarHBondContact OG1-OD1 3.3Å; D79-R81 PolarHBondContact O-N 3.48Å; D79-R81 VanDerWaalsContact OD2-CD 3.29Å; D79-R81 WeakPolarHBondContact OD2-CD 3.37Å; D79-R81 WeakPolarHBondContact OD2-CG 3.41Å; D79-R81 IonicContact OD2-CZ 2.85Å; D79-R81 IonicContact OD2-NE 2.68Å; D79-R81 IonicContact OD2-NH1 3.93Å; D79-R81 PolarHBondContact OD2-NH1 3.48Å; D79-R105 IonicContact OD1-CZ 3.69Å; D79-R105 IonicContact OD1-NH1 3.71Å; D79-R105 IonicContact OD1-NH2 3.95Å; D79-R105 PolarHBondContact OD1-NH2 3.28Å; D79-R105 IonicContact OD2-CZ 2.84Å; D79-R105 IonicContact OD2-NH1 3.46Å; D79-R105 PolarHBondContact OD2-NH1 3.09Å; D79-R105 IonicContact OD2-NH2 3.61Å; D79-R105 PolarHBondContact OD2-NH2 3.27Å |
| 80 | D | 96.9 | Very high | 97.3 | Very high | 105 Ų | 105 | 61.6 Ų | 61.6 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | trans | 57.4 | 37.9 | 172.1 | -155 | 39.8 | 0 | 0 | 0 | 115.3 | H74 T75 | H74-D80 IonicContact CD2-OD1 2.81Å; H74-D80 IonicContact CE1-OD1 3.23Å; H74-D80 PolarHBondContact CE1-OD1 3.32Å; H74-D80 IonicContact NE2-OD1 3.8Å; H74-D80 PolarHBondContact NE2-OD1 2.96Å; T75-D80 PolarHBondContact O-N 2.94Å; T75-D80 VanDerWaalsContact O-N 3.13Å | ||
| 81 | R | 97.9 | Very high | 97.1 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | trans | -105.6 | 154.4 | 178.8 | -68.5 | -170.2 | 174.2 | 86.7 | -2.4 | 112.3 | L24 D25 H74 T75 D79 E101 | L24-R81 PolarHBondContact O-NH1 2.97Å; D25-R81 IonicContact OD2-CZ 2.74Å; D25-R81 IonicContact OD2-NH2 3.5Å; D25-R81 PolarHBondContact OD2-NH2 3.5Å; H74-R81 WeakPolarHBondContact CA-O 3.18Å; H74-R81 PolarHBondContact CD2-O 3.15Å; T75-R81 PolarHBondContact N-O 2.95Å; T75-R81 PolarHBondContact OG1-N 3.24Å; T75-R81 VanDerWaalsContact OG1-N 3.07Å; T75-R81 PolarHBondContact OG1-O 3.17Å; D79-R81 PolarHBondContact O-N 3.48Å; D79-R81 VanDerWaalsContact OD2-CD 3.29Å; D79-R81 WeakPolarHBondContact OD2-CD 3.37Å; D79-R81 WeakPolarHBondContact OD2-CG 3.41Å; D79-R81 IonicContact OD2-CZ 2.85Å; D79-R81 IonicContact OD2-NE 2.68Å; D79-R81 IonicContact OD2-NH1 3.93Å; D79-R81 PolarHBondContact OD2-NH1 3.48Å; R81-E101 IonicContact CZ-OE2 2.65Å; R81-E101 IonicContact NE-OE2 3.82Å; R81-E101 PolarHBondContact NE-OE2 3.45Å; R81-E101 IonicContact NH2-OE2 2.98Å | ||
| 82 | K | 98.1 | Very high | 96.9 | Very high | 164 Ų | 164 | 61 Ų | 61 | 71% | 0.713 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.5 | 167 | -65.7 | -175.3 | -179.5 | -176.2 | 0 | 109.3 | E73 H74 | E73-K82 WeakPolarHBondContact O-CA 3.47Å; H74-K82 HydrophobicContact CB-CG 4.37Å |
| 83 | V | 98.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 157.7 | -178.1 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | E73 T85 Q98 K99 | E73-V83 HydrophobicContact CB-CG2 3.89Å; E73-V83 HydrophobicContact CG-CG2 4.45Å; E73-V83 PolarHBondContact N-O 3.28Å; E73-V83 PolarHBondContact O-N 3.46Å; V83-T85 WeakPolarHBondContact CG2-OG1 3.29Å; V83-Q98 HydrophobicContact CB-CB 4.39Å; V83-Q98 HydrophobicContact CG2-CB 4.06Å; V83-Q98 HydrophobicContact CG2-CG 4.34Å; V83-K99 WeakPolarHBondContact CA-O 3.47Å; V83-K99 WeakPolarHBondContact CB-O 3.21Å |
| 84 | K | 98.7 | Very high | 96.9 | Very high | 85 Ų | 85 | 54.3 Ų | 54.3 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.9 | 168.5 | -70.7 | -74.5 | 175.7 | 179.8 | 0 | 108.3 | E70 E72 K99 | E70-K84 HydrophobicContact CG-CB 4.42Å; E72-K84 HydrophobicContact CG-CD 4.06Å; E72-K84 WeakPolarHBondContact OE1-CE 3.19Å; E72-K84 IonicContact OE1-NZ 2.74Å; E72-K84 PolarHBondContact OE1-NZ 3.35Å; K84-K99 HydrophobicContact CB-CB 4.39Å; K84-K99 PolarHBondContact N-O 3.38Å; K84-K99 PolarHBondContact O-N 3.33Å |
| 85 | T | 98.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.3 | -170.8 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | E70 F71 E73 V83 V87 C96 V97 Q98 | E70-T85 CarbonylContact C-O 3.59Å; E70-T85 VanDerWaalsContact CA-O 3.3Å; E70-T85 WeakPolarHBondContact CA-O 3.35Å; F71-T85 HydrophobicContact CD1-CG2 4.46Å; F71-T85 VanDerWaalsContact CD1-O 3.24Å; F71-T85 WeakPolarHBondContact CD1-O 3.32Å; F71-T85 HydrophobicContact CE1-CG2 3.52Å; F71-T85 HydrophobicContact CE2-CG2 4.45Å; F71-T85 HydrophobicContact CZ-CG2 3.51Å; F71-T85 PolarHBondContact N-O 3.35Å; F71-T85 PolarHBondContact O-N 2.91Å; E73-T85 WeakPolarHBondContact CB-OG1 3.5Å; E73-T85 WeakPolarHBondContact OE2-CB 3.36Å; E73-T85 VanDerWaalsContact OE2-CG2 3.31Å; E73-T85 WeakPolarHBondContact OE2-CG2 2.88Å; E73-T85 PolarHBondContact OE2-OG1 2.79Å; V83-T85 WeakPolarHBondContact CG2-OG1 3.29Å; T85-V87 HydrophobicContact CG2-CG2 4.45Å; T85-C96 WeakPolarHBondContact CG2-SG 3.49Å; T85-V97 WeakPolarHBondContact CA-O 3.47Å; T85-Q98 HydrophobicContact CG2-CG 4.14Å |
| 86 | L | 98.9 | Very high | 97 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 28% | 0.277 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.5 | 173.5 | 175.8 | 64.9 | 0 | 0 | 0 | 109 | E70 V88 C96 V97 | E70-L86 HydrophobicContact CB-CB 4.46Å; E70-L86 HydrophobicContact CB-CD1 4.39Å; E70-L86 HydrophobicContact CG-CB 4.41Å; L86-V88 HydrophobicContact CD1-CG1 4.28Å; L86-V88 HydrophobicContact CD2-CG1 4.2Å; L86-V88 HydrophobicContact CG-CG1 4.03Å; L86-C96 VanDerWaalsContact O-CA 3.32Å; L86-C96 WeakPolarHBondContact O-CA 3.45Å; L86-V97 PolarHBondContact N-O 3.41Å; L86-V97 PolarHBondContact O-N 3.2Å |
| 87 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.7 | 173.6 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | F65 V67 G68 T85 L94 V95 C96 W107 | F65-V87 HydrophobicContact CD1-CG2 4.45Å; F65-V87 HydrophobicContact CD2-CB 3.89Å; F65-V87 HydrophobicContact CD2-CG1 4.25Å; F65-V87 HydrophobicContact CD2-CG2 3.77Å; F65-V87 HydrophobicContact CE2-CB 3.93Å; F65-V87 HydrophobicContact CE2-CG1 3.75Å; F65-V87 HydrophobicContact CE2-CG2 3.93Å; F65-V87 HydrophobicContact CG-CG2 4.05Å; F65-V87 HydrophobicContact CZ-CG1 4.32Å; F65-V87 HydrophobicContact CZ-CG2 4.34Å; V67-V87 WeakPolarHBondContact CG1-O 3.46Å; G68-V87 PolarHBondContact N-O 2.89Å; T85-V87 HydrophobicContact CG2-CG2 4.45Å; V87-L94 HydrophobicContact CG1-CB 4.13Å; V87-L94 HydrophobicContact CG1-CD2 3.83Å; V87-L94 HydrophobicContact CG1-CG 4.45Å; V87-V95 CarbonylContact C-O 3.49Å; V87-V95 WeakPolarHBondContact CA-O 3.25Å; V87-C96 HydrophobicContact CG2-CB 4Å; V87-W107 HydrophobicContact CG1-CH2 3.81Å; V87-W107 HydrophobicContact CG1-CZ3 4.43Å; V87-W107 HydrophobicContact CG2-CH2 4.02Å; V87-W107 HydrophobicContact CG2-CZ2 3.89Å |
| 88 | V | 98.8 | Very high | 97.9 | Very high | 50 Ų | 50 | 47.6 Ų | 47.6 | 30% | 0.303 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 158.3 | 177.8 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | L86 V95 | L86-V88 HydrophobicContact CD1-CG1 4.28Å; L86-V88 HydrophobicContact CD2-CG1 4.2Å; L86-V88 HydrophobicContact CG-CG1 4.03Å; V88-V95 HydrophobicContact CG2-CB 4.34Å; V88-V95 PolarHBondContact N-O 2.86Å; V88-V95 PolarHBondContact O-N 3.04Å |
| 89 | W | 98.3 | Very high | 98 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 126.3 | 169.2 | -71.7 | 115.2 | 0 | 0 | 0 | 110.8 | R3 D48 F50 V67 D92 L94 | R3-W89 HydrophobicContact CB-CH2 3.73Å; R3-W89 HydrophobicContact CB-CZ2 3.85Å; R3-W89 HydrophobicContact CB-CZ3 4.14Å; R3-W89 HydrophobicContact CG-CD2 4.39Å; R3-W89 HydrophobicContact CG-CE3 4.21Å; R3-W89 HydrophobicContact CG-CH2 4.17Å; R3-W89 HydrophobicContact CG-CZ2 4.34Å; R3-W89 HydrophobicContact CG-CZ3 4.09Å; R3-W89 WeakPolarHBondContact O-CH2 3.33Å; D48-W89 PolarHBondContact OD1-NE1 2.84Å; F50-W89 HydrophobicContact CE2-CZ2 4.08Å; F50-W89 HydrophobicContact CZ-CH2 4.11Å; F50-W89 AromaticContact CZ-CZ2 3.82Å; F50-W89 HydrophobicContact CZ-CZ2 3.82Å; V67-W89 HydrophobicContact CG1-CG 4.17Å; W89-D92 WeakPolarHBondContact CZ3-O 3.12Å; W89-L94 HydrophobicContact CD2-CD2 3.67Å; W89-L94 HydrophobicContact CD2-CG 4.47Å; W89-L94 HydrophobicContact CE3-CD2 3.66Å; W89-L94 HydrophobicContact CE3-CG 3.97Å; W89-L94 HydrophobicContact CG-CD2 4.49Å; W89-L94 HydrophobicContact CH2-CD1 4.19Å; W89-L94 HydrophobicContact CH2-CD2 3.51Å; W89-L94 HydrophobicContact CH2-CG 3.56Å; W89-L94 HydrophobicContact CZ2-CD2 3.52Å; W89-L94 HydrophobicContact CZ2-CG 4.11Å; W89-L94 HydrophobicContact CZ3-CB 4.44Å; W89-L94 HydrophobicContact CZ3-CD2 3.59Å; W89-L94 HydrophobicContact CZ3-CG 3.5Å; W89-L94 VanDerWaalsContact CZ3-CG 3.5Å |
| 90 | E | 97.5 | Very high | 98.1 | Very high | 115 Ų | 115 | 51.1 Ų | 51.1 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 98.8 | 163.7 | -69.8 | -171.8 | 178.9 | 0 | 0 | 108.8 | D92 A93 V95 | E90-D92 PolarHBondContact O-N 2.88Å; E90-A93 PolarHBondContact N-O 2.61Å; E90-A93 PolarHBondContact O-N 3.35Å; E90-A93 VanDerWaalsContact O-N 3.11Å; E90-V95 HydrophobicContact CB-CG2 3.94Å; E90-V95 HydrophobicContact CG-CB 4.26Å; E90-V95 HydrophobicContact CG-CG2 3.85Å |
| 91 | G | 95.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 53 Ų | 53 | 54% | 0.536 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -116.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R3 | R3-G91 PolarHBondContact NE-O 2.84Å; R3-G91 VanDerWaalsContact NE-O 3.1Å; R3-G91 PolarHBondContact NH2-O 2.75Å |
| 92 | D | 95.1 | Very high | 98.1 | Very high | 74 Ų | 74 | 53 Ų | 53 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 5.6 | 177.6 | -67 | -20.7 | 0 | 0 | 0 | 113 | R3 W89 E90 | R3-D92 IonicContact NE-OD1 2.88Å; W89-D92 WeakPolarHBondContact CZ3-O 3.12Å; E90-D92 PolarHBondContact O-N 2.88Å |
| 93 | A | 97.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E90 K108 W110 | E90-A93 PolarHBondContact N-O 2.61Å; E90-A93 PolarHBondContact O-N 3.35Å; E90-A93 VanDerWaalsContact O-N 3.11Å; A93-K108 HydrophobicContact CB-CD 4.48Å; A93-K108 VanDerWaalsContact CB-CE 3.48Å; A93-K108 HydrophobicContact CB-CG 4.2Å; A93-W110 HydrophobicContact CB-CB 3.9Å |
| 94 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 129.7 | 163.1 | -70.5 | 173.1 | 0 | 0 | 0 | 108.6 | F50 F65 V67 V87 W89 W107 K108 Q109 | F50-L94 HydrophobicContact CD1-CD1 4.43Å; F50-L94 HydrophobicContact CE1-CD1 3.82Å; F50-L94 HydrophobicContact CE2-CD1 4.41Å; F50-L94 HydrophobicContact CE2-CD2 4.44Å; F50-L94 HydrophobicContact CZ-CD1 3.8Å; F50-L94 HydrophobicContact CZ-CD2 4.38Å; F65-L94 HydrophobicContact CZ-CD1 4.34Å; V67-L94 HydrophobicContact CG2-CD2 3.79Å; V87-L94 HydrophobicContact CG1-CB 4.13Å; V87-L94 HydrophobicContact CG1-CD2 3.83Å; V87-L94 HydrophobicContact CG1-CG 4.45Å; W89-L94 HydrophobicContact CD2-CD2 3.67Å; W89-L94 HydrophobicContact CD2-CG 4.47Å; W89-L94 HydrophobicContact CE3-CD2 3.66Å; W89-L94 HydrophobicContact CE3-CG 3.97Å; W89-L94 HydrophobicContact CG-CD2 4.49Å; W89-L94 HydrophobicContact CH2-CD1 4.19Å; W89-L94 HydrophobicContact CH2-CD2 3.51Å; W89-L94 HydrophobicContact CH2-CG 3.56Å; W89-L94 HydrophobicContact CZ2-CD2 3.52Å; W89-L94 HydrophobicContact CZ2-CG 4.11Å; W89-L94 HydrophobicContact CZ3-CB 4.44Å; W89-L94 HydrophobicContact CZ3-CD2 3.59Å; W89-L94 HydrophobicContact CZ3-CG 3.5Å; W89-L94 VanDerWaalsContact CZ3-CG 3.5Å; L94-W107 HydrophobicContact CB-CH2 4.37Å; L94-W107 HydrophobicContact CB-CZ3 3.81Å; L94-K108 CarbonylContact O-C 3.55Å; L94-K108 VanDerWaalsContact O-CA 3.25Å; L94-K108 WeakPolarHBondContact O-CA 3.24Å; L94-Q109 HydrophobicContact CB-CB 4.41Å; L94-Q109 PolarHBondContact N-O 3.33Å; L94-Q109 PolarHBondContact O-N 3.36Å |
| 95 | V | 98.8 | Very high | 98.1 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.6 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | V87 V88 E90 K108 | V87-V95 CarbonylContact C-O 3.49Å; V87-V95 WeakPolarHBondContact CA-O 3.25Å; V88-V95 HydrophobicContact CG2-CB 4.34Å; V88-V95 PolarHBondContact N-O 2.86Å; V88-V95 PolarHBondContact O-N 3.04Å; E90-V95 HydrophobicContact CB-CG2 3.94Å; E90-V95 HydrophobicContact CG-CB 4.26Å; E90-V95 HydrophobicContact CG-CG2 3.85Å; V95-K108 HydrophobicContact CG2-CD 4.14Å; V95-K108 HydrophobicContact CG2-CG 3.98Å |
| 96 | C | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.4 | -177.5 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | T85 L86 V87 G106 W107 | T85-C96 WeakPolarHBondContact CG2-SG 3.49Å; L86-C96 VanDerWaalsContact O-CA 3.32Å; L86-C96 WeakPolarHBondContact O-CA 3.45Å; V87-C96 HydrophobicContact CG2-CB 4Å; C96-G106 CarbonylContact O-C 3.51Å; C96-G106 WeakPolarHBondContact O-CA 3.34Å; C96-W107 HydrophobicContact CB-CD2 3.28Å; C96-W107 HydrophobicContact CB-CE3 3.71Å; C96-W107 HydrophobicContact CB-CG 3.77Å; C96-W107 HydrophobicContact CB-CH2 3.78Å; C96-W107 HydrophobicContact CB-CZ2 3.38Å; C96-W107 HydrophobicContact CB-CZ3 3.93Å; C96-W107 PolarHBondContact N-O 2.65Å; C96-W107 PolarHBondContact O-N 3.2Å; C96-W107 PolarHBondContact SG-NE1 2.98Å |
| 97 | V | 98.8 | Very high | 98.1 | Very high | 72 Ų | 72 | 53.9 Ų | 53.9 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.7 | 170.3 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | T85 L86 K99 | T85-V97 WeakPolarHBondContact CA-O 3.47Å; L86-V97 PolarHBondContact N-O 3.41Å; L86-V97 PolarHBondContact O-N 3.2Å; V97-K99 HydrophobicContact CG1-CG 3.92Å |
| 98 | Q | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 90.2 | 178.1 | -67.4 | -179 | -46.4 | 0 | 0 | 109.2 | E73 V83 T85 G100 R105 | E73-Q98 VanDerWaalsContact CD-NE2 3.28Å; E73-Q98 PolarHBondContact OE1-NE2 2.91Å; E73-Q98 PolarHBondContact OE2-NE2 3.07Å; V83-Q98 HydrophobicContact CB-CB 4.39Å; V83-Q98 HydrophobicContact CG2-CB 4.06Å; V83-Q98 HydrophobicContact CG2-CG 4.34Å; T85-Q98 HydrophobicContact CG2-CG 4.14Å; Q98-G100 PolarHBondContact O-N 2.81Å; Q98-R105 HydrophobicContact CB-CB 4.35Å; Q98-R105 HydrophobicContact CB-CG 3.92Å; Q98-R105 PolarHBondContact N-O 2.94Å |
| 99 | K | 98.7 | Very high | 98.1 | Very high | 124 Ų | 124 | 55.6 Ų | 55.6 | 54% | 0.539 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124.8 | -178.6 | -62.7 | 177.8 | -173.9 | 160.7 | 0 | 110.5 | V83 K84 V97 | V83-K99 WeakPolarHBondContact CA-O 3.47Å; V83-K99 WeakPolarHBondContact CB-O 3.21Å; K84-K99 HydrophobicContact CB-CB 4.39Å; K84-K99 PolarHBondContact N-O 3.38Å; K84-K99 PolarHBondContact O-N 3.33Å; V97-K99 HydrophobicContact CG1-CG 3.92Å |
| 100 | G | 97.7 | Very high | 98.1 | Very high | 49 Ų | 49 | 56 Ų | 56 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -176.8 | -147.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q98 K102 | Q98-G100 PolarHBondContact O-N 2.81Å; G100-K102 VanDerWaalsContact C-N 3.31Å; G100-K102 PolarHBondContact O-N 2.92Å |
| 101 | E | 97.4 | Very high | 98.1 | Very high | 145 Ų | 145 | 52.8 Ų | 52.8 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -63.3 | -33.1 | -178.3 | -170.5 | -166.5 | 164.5 | 0 | 0 | 113.5 | R81 | R81-E101 IonicContact CZ-OE2 2.65Å; R81-E101 IonicContact NE-OE2 3.82Å; R81-E101 PolarHBondContact NE-OE2 3.45Å; R81-E101 IonicContact NH2-OE2 2.98Å |
| 102 | K | 98.2 | Very high | 98.2 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -90.7 | 125.1 | -177.6 | -67.4 | -69.9 | 177.6 | 175.2 | 0 | 110.7 | A23 L24 D25 G100 R105 | A23-K102 VanDerWaalsContact O-CE 3.23Å; A23-K102 WeakPolarHBondContact O-CE 3.45Å; A23-K102 PolarHBondContact O-NZ 2.82Å; L24-K102 HydrophobicContact CD2-CG 4.23Å; D25-K102 IonicContact OD1-NZ 2.84Å; D25-K102 PolarHBondContact OD1-NZ 3.13Å; D25-K102 WeakPolarHBondContact OD2-CE 3.49Å; D25-K102 IonicContact OD2-NZ 3.35Å; D25-K102 PolarHBondContact OD2-NZ 3.2Å; G100-K102 VanDerWaalsContact C-N 3.31Å; G100-K102 PolarHBondContact O-N 2.92Å; K102-R105 HydrophobicContact CB-CB 4.19Å |
| 103 | E | 97.8 | Very high | 98.2 | Very high | 166 Ų | 166 | 55.5 Ų | 55.5 | 78% | 0.776 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 150.8 | 174 | -62.3 | -174.5 | 166.1 | 0 | 0 | 111.4 | R105 G123 | E103-R105 PolarHBondContact O-N 2.95Å; E103-R105 VanDerWaalsContact O-N 3.1Å; E103-G123 PolarHBondContact O-N 2.64Å |
| 104 | N | 98.2 | Very high | 98.2 | Very high | 114 Ų | 114 | 58.7 Ų | 58.7 | 61% | 0.61 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 41 | 177.7 | -165.4 | 38 | 0 | 0 | 0 | 113.6 | T121 C122 G123 | N104-T121 CarbonylContact O-C 3.45Å; N104-C122 WeakPolarHBondContact O-CA 3.35Å; N104-C122 PolarHBondContact O-N 3.23Å; N104-G123 PolarHBondContact ND2-O 3.37Å |
| 105 | R | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | trans | -93 | 127.2 | 178.9 | -172 | -168.9 | 175.3 | 145.8 | 10.6 | 110.3 | D79 Q98 K102 E103 T121 | D79-R105 IonicContact OD1-CZ 3.69Å; D79-R105 IonicContact OD1-NH1 3.71Å; D79-R105 IonicContact OD1-NH2 3.95Å; D79-R105 PolarHBondContact OD1-NH2 3.28Å; D79-R105 IonicContact OD2-CZ 2.84Å; D79-R105 IonicContact OD2-NH1 3.46Å; D79-R105 PolarHBondContact OD2-NH1 3.09Å; D79-R105 IonicContact OD2-NH2 3.61Å; D79-R105 PolarHBondContact OD2-NH2 3.27Å; Q98-R105 HydrophobicContact CB-CB 4.35Å; Q98-R105 HydrophobicContact CB-CG 3.92Å; Q98-R105 PolarHBondContact N-O 2.94Å; K102-R105 HydrophobicContact CB-CB 4.19Å; E103-R105 PolarHBondContact O-N 2.95Å; E103-R105 VanDerWaalsContact O-N 3.1Å; R105-T121 WeakPolarHBondContact CA-O 3.39Å | ||
| 106 | G | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173 | -174.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C96 T121 | C96-G106 CarbonylContact O-C 3.51Å; C96-G106 WeakPolarHBondContact O-CA 3.34Å; G106-T121 PolarHBondContact N-O 3.18Å; G106-T121 VanDerWaalsContact N-O 3.1Å; G106-T121 PolarHBondContact N-OG1 2.74Å; G106-T121 PolarHBondContact O-N 3.27Å; G106-T121 PolarHBondContact O-OG1 3.5Å |
| 107 | W | 98.9 | Very high | 98.2 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 13% | 0.125 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 158.4 | 177.4 | 54.9 | -102.1 | 0 | 0 | 0 | 112.7 | F65 V87 L94 C96 Q109 L118 E119 L120 | F65-W107 HydrophobicContact CE1-CH2 4.44Å; F65-W107 HydrophobicContact CE1-CZ2 4.48Å; F65-W107 HydrophobicContact CZ-CH2 4.12Å; V87-W107 HydrophobicContact CG1-CH2 3.81Å; V87-W107 HydrophobicContact CG1-CZ3 4.43Å; V87-W107 HydrophobicContact CG2-CH2 4.02Å; V87-W107 HydrophobicContact CG2-CZ2 3.89Å; L94-W107 HydrophobicContact CB-CH2 4.37Å; L94-W107 HydrophobicContact CB-CZ3 3.81Å; C96-W107 HydrophobicContact CB-CD2 3.28Å; C96-W107 HydrophobicContact CB-CE3 3.71Å; C96-W107 HydrophobicContact CB-CG 3.77Å; C96-W107 HydrophobicContact CB-CH2 3.78Å; C96-W107 HydrophobicContact CB-CZ2 3.38Å; C96-W107 HydrophobicContact CB-CZ3 3.93Å; C96-W107 PolarHBondContact N-O 2.65Å; C96-W107 PolarHBondContact O-N 3.2Å; C96-W107 PolarHBondContact SG-NE1 2.98Å; W107-Q109 HydrophobicContact CE3-CB 4Å; W107-Q109 HydrophobicContact CZ3-CB 3.85Å; W107-L118 HydrophobicContact CB-CD1 3.98Å; W107-L118 HydrophobicContact CD2-CD1 4.44Å; W107-L118 HydrophobicContact CE3-CD1 4.26Å; W107-L118 HydrophobicContact CG-CD1 4.37Å; W107-E119 CarbonylContact C-O 3.57Å; W107-E119 WeakPolarHBondContact CA-O 3.19Å; W107-E119 VanDerWaalsContact CB-O 3.27Å; W107-E119 WeakPolarHBondContact CB-O 3.33Å; W107-L120 HydrophobicContact CB-CD2 3.84Å; W107-L120 HydrophobicContact CG-CD2 4.46Å |
| 108 | K | 98.9 | Very high | 98.2 | Very high | 79 Ų | 79 | 60.1 Ų | 60.1 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.8 | 174.4 | -177.3 | 171.8 | -177.5 | 172.8 | 0 | 110 | A93 L94 V95 W110 L118 E119 | A93-K108 HydrophobicContact CB-CD 4.48Å; A93-K108 VanDerWaalsContact CB-CE 3.48Å; A93-K108 HydrophobicContact CB-CG 4.2Å; L94-K108 CarbonylContact O-C 3.55Å; L94-K108 VanDerWaalsContact O-CA 3.25Å; L94-K108 WeakPolarHBondContact O-CA 3.24Å; V95-K108 HydrophobicContact CG2-CD 4.14Å; V95-K108 HydrophobicContact CG2-CG 3.98Å; K108-W110 HydrophobicContact CB-CZ3 4.49Å; K108-W110 HydrophobicContact CD-CZ3 4.42Å; K108-W110 HydrophobicContact CG-CE3 3.95Å; K108-W110 HydrophobicContact CG-CZ3 4.06Å; K108-L118 CarbonylContact O-C 3.35Å; K108-L118 WeakPolarHBondContact O-CA 3.26Å; K108-E119 PolarHBondContact N-O 3.16Å; K108-E119 PolarHBondContact O-N 3.26Å |
| 109 | Q | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.028 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.1 | -176.9 | -171 | 177.1 | -87.8 | 0 | 0 | 111.5 | Q5 K41 L94 W107 L116 Y117 L118 | Q5-Q109 PolarHBondContact NE2-O 2.85Å; K41-Q109 VanDerWaalsContact CE-OE1 3.28Å; L94-Q109 HydrophobicContact CB-CB 4.41Å; L94-Q109 PolarHBondContact N-O 3.33Å; L94-Q109 PolarHBondContact O-N 3.36Å; W107-Q109 HydrophobicContact CE3-CB 4Å; W107-Q109 HydrophobicContact CZ3-CB 3.85Å; Q109-L116 HydrophobicContact CG-CD1 3.81Å; Q109-L116 HydrophobicContact CG-CD2 4.35Å; Q109-L116 HydrophobicContact CG-CG 4.08Å; Q109-Y117 VanDerWaalsContact CA-O 3.26Å; Q109-Y117 WeakPolarHBondContact CA-O 3.29Å; Q109-Y117 WeakPolarHBondContact CG-O 3.39Å; Q109-L118 HydrophobicContact CB-CD1 4.17Å |
| 110 | W | 98.4 | Very high | 98.2 | Very high | 49 Ų | 49 | 57.2 Ų | 57.2 | 19% | 0.186 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 166.8 | 178.4 | 70.8 | 102.1 | 0 | 0 | 0 | 111.6 | A93 K108 E112 L116 Y117 E119 | A93-W110 HydrophobicContact CB-CB 3.9Å; K108-W110 HydrophobicContact CB-CZ3 4.49Å; K108-W110 HydrophobicContact CD-CZ3 4.42Å; K108-W110 HydrophobicContact CG-CE3 3.95Å; K108-W110 HydrophobicContact CG-CZ3 4.06Å; W110-E112 PolarHBondContact NE1-OE1 3Å; W110-L116 WeakPolarHBondContact O-CA 3.23Å; W110-Y117 HydrophobicContact CD2-CG 4.42Å; W110-Y117 AromaticContact CE2-CG 3.74Å; W110-Y117 HydrophobicContact CH2-CG 4.44Å; W110-Y117 VanDerWaalsContact CZ2-CB 3.42Å; W110-Y117 HydrophobicContact CZ2-CD1 4.14Å; W110-Y117 HydrophobicContact CZ2-CD2 4.43Å; W110-Y117 AromaticContact CZ2-CG 3.76Å; W110-Y117 HydrophobicContact CZ2-CG 3.76Å; W110-Y117 PolarHBondContact N-O 3.03Å; W110-Y117 VanDerWaalsContact N-O 3.11Å; W110-Y117 AromaticContact NE1-CD2 3.67Å; W110-Y117 AromaticContact NE1-CG 3.89Å; W110-Y117 PolarHBondContact O-N 3.08Å; W110-E119 HydrophobicContact CH2-CG 3.81Å; W110-E119 HydrophobicContact CZ3-CG 3.87Å |
| 111 | V | 98 | Very high | 98.2 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.7 | -179.4 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | Q5 W9 K115 L116 | Q5-V111 HydrophobicContact CB-CG2 4.18Å; Q5-V111 HydrophobicContact CG-CG2 3.85Å; W9-V111 HydrophobicContact CH2-CG1 4.03Å; W9-V111 HydrophobicContact CH2-CG2 4Å; W9-V111 HydrophobicContact CZ2-CG2 4.15Å; V111-K115 VanDerWaalsContact CA-O 3.32Å; V111-K115 WeakPolarHBondContact CA-O 3.32Å; V111-L116 HydrophobicContact CG2-CD1 3.75Å |
| 112 | E | 97.1 | Very high | 98.3 | Very high | 108 Ų | 108 | 49.6 Ų | 49.6 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 115 | 166.9 | -49.9 | 175.8 | -177.9 | 0 | 0 | 108.7 | W110 D114 K115 Y117 | W110-E112 PolarHBondContact NE1-OE1 3Å; E112-D114 PolarHBondContact O-N 3.44Å; E112-K115 PolarHBondContact N-O 3.28Å; E112-K115 PolarHBondContact O-N 3.32Å; E112-Y117 HydrophobicContact CB-CE2 3.85Å; E112-Y117 HydrophobicContact CG-CD2 4.24Å; E112-Y117 HydrophobicContact CG-CE2 3.91Å |
| 113 | G | 95.8 | Very high | 98.3 | Very high | 75 Ų | 75 | 49.2 Ų | 49.2 | 77% | 0.773 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -124.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K115 | G113-K115 VanDerWaalsContact C-N 3.32Š|
| 114 | D | 97.1 | Very high | 98.3 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 12.3 | 177.2 | 70.2 | -31.1 | 0 | 0 | 0 | 113.3 | E112 K132 K133 | E112-D114 PolarHBondContact O-N 3.44Å; D114-K132 WeakPolarHBondContact OD2-CE 3.19Å; D114-K133 PolarHBondContact O-N 2.83Å |
| 115 | K | 98.3 | Very high | 98.4 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 27% | 0.274 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.7 | -177.6 | -62.4 | -169.4 | 177.4 | -137.5 | 0 | 112.8 | E12 V111 E112 G113 Y117 V130 F131 | E12-K115 IonicContact OE2-NZ 2.79Å; E12-K115 PolarHBondContact OE2-NZ 2.83Å; V111-K115 VanDerWaalsContact CA-O 3.32Å; V111-K115 WeakPolarHBondContact CA-O 3.32Å; E112-K115 PolarHBondContact N-O 3.28Å; E112-K115 PolarHBondContact O-N 3.32Å; G113-K115 VanDerWaalsContact C-N 3.32Å; K115-Y117 HydrophobicContact CB-CD2 4.37Å; K115-Y117 HydrophobicContact CB-CE2 3.66Å; K115-V130 HydrophobicContact CB-CG1 4.34Å; K115-V130 HydrophobicContact CD-CG1 3.89Å; K115-V130 HydrophobicContact CG-CG1 4.42Å; K115-F131 CarbonylContact C-O 3.59Å; K115-F131 VanDerWaalsContact CA-O 3.26Å; K115-F131 WeakPolarHBondContact CA-O 3.02Å |
| 116 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124 | 167.8 | 178.1 | 104.9 | 0 | 0 | 0 | 108.2 | Q5 W9 K41 I43 Q109 W110 V111 F131 | Q5-L116 HydrophobicContact CB-CD1 4.48Å; W9-L116 HydrophobicContact CB-CD2 4.34Å; W9-L116 HydrophobicContact CD2-CB 3.63Å; W9-L116 HydrophobicContact CD2-CD1 4.43Å; W9-L116 HydrophobicContact CD2-CD2 4.46Å; W9-L116 HydrophobicContact CD2-CG 4.39Å; W9-L116 HydrophobicContact CE3-CB 3.43Å; W9-L116 VanDerWaalsContact CE3-CB 3.43Å; W9-L116 HydrophobicContact CG-CB 4.16Å; W9-L116 HydrophobicContact CG-CD2 4.17Å; W9-L116 HydrophobicContact CH2-CB 4.25Å; W9-L116 HydrophobicContact CZ2-CB 4.43Å; W9-L116 HydrophobicContact CZ2-CD1 4.4Å; W9-L116 HydrophobicContact CZ3-CB 3.76Å; K41-L116 HydrophobicContact CD-CD2 3.8Å; I43-L116 HydrophobicContact CD1-CD1 3.95Å; I43-L116 HydrophobicContact CD1-CD2 4.45Å; Q109-L116 HydrophobicContact CG-CD1 3.81Å; Q109-L116 HydrophobicContact CG-CD2 4.35Å; Q109-L116 HydrophobicContact CG-CG 4.08Å; W110-L116 WeakPolarHBondContact O-CA 3.23Å; V111-L116 HydrophobicContact CG2-CD1 3.75Å; L116-F131 HydrophobicContact CB-CB 4.29Å; L116-F131 HydrophobicContact CD2-CB 4.36Å; L116-F131 HydrophobicContact CD2-CD2 3.9Å; L116-F131 HydrophobicContact CD2-CG 4.24Å; L116-F131 PolarHBondContact N-O 2.68Å; L116-F131 PolarHBondContact O-N 3.29Å |
| 117 | Y | 98.8 | Very high | 98.4 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 141 | 177.2 | -63.5 | -95.3 | 0 | 0 | 0 | 109.5 | Q109 W110 E112 K115 V130 | Q109-Y117 VanDerWaalsContact CA-O 3.26Å; Q109-Y117 WeakPolarHBondContact CA-O 3.29Å; Q109-Y117 WeakPolarHBondContact CG-O 3.39Å; W110-Y117 HydrophobicContact CD2-CG 4.42Å; W110-Y117 AromaticContact CE2-CG 3.74Å; W110-Y117 HydrophobicContact CH2-CG 4.44Å; W110-Y117 VanDerWaalsContact CZ2-CB 3.42Å; W110-Y117 HydrophobicContact CZ2-CD1 4.14Å; W110-Y117 HydrophobicContact CZ2-CD2 4.43Å; W110-Y117 AromaticContact CZ2-CG 3.76Å; W110-Y117 HydrophobicContact CZ2-CG 3.76Å; W110-Y117 PolarHBondContact N-O 3.03Å; W110-Y117 VanDerWaalsContact N-O 3.11Å; W110-Y117 AromaticContact NE1-CD2 3.67Å; W110-Y117 AromaticContact NE1-CG 3.89Å; W110-Y117 PolarHBondContact O-N 3.08Å; E112-Y117 HydrophobicContact CB-CE2 3.85Å; E112-Y117 HydrophobicContact CG-CD2 4.24Å; E112-Y117 HydrophobicContact CG-CE2 3.91Å; K115-Y117 HydrophobicContact CB-CD2 4.37Å; K115-Y117 HydrophobicContact CB-CE2 3.66Å; Y117-V130 HydrophobicContact CD1-CG1 4.45Å; Y117-V130 HydrophobicContact CD1-CG2 3.81Å; Y117-V130 HydrophobicContact CE1-CG1 4.17Å; Y117-V130 HydrophobicContact CE1-CG2 3.87Å |
| 118 | L | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 118.7 | 176.3 | 173.6 | 61.7 | 0 | 0 | 0 | 109.5 | W107 K108 Q109 L120 Q129 F131 | W107-L118 HydrophobicContact CB-CD1 3.98Å; W107-L118 HydrophobicContact CD2-CD1 4.44Å; W107-L118 HydrophobicContact CE3-CD1 4.26Å; W107-L118 HydrophobicContact CG-CD1 4.37Å; K108-L118 CarbonylContact O-C 3.35Å; K108-L118 WeakPolarHBondContact O-CA 3.26Å; Q109-L118 HydrophobicContact CB-CD1 4.17Å; L118-L120 HydrophobicContact CD1-CD2 4.13Å; L118-L120 HydrophobicContact CD1-CG 4.49Å; L118-L120 HydrophobicContact CD2-CD2 4.16Å; L118-L120 HydrophobicContact CD2-CG 4.36Å; L118-L120 HydrophobicContact CG-CD2 4.15Å; L118-L120 HydrophobicContact CG-CG 4.11Å; L118-Q129 HydrophobicContact CB-CB 4.23Å; L118-Q129 PolarHBondContact N-O 3.01Å; L118-Q129 PolarHBondContact O-N 3.29Å; L118-F131 HydrophobicContact CB-CE2 4.15Å; L118-F131 HydrophobicContact CD2-CE2 4.3Å |
| 119 | E | 98.8 | Very high | 98.3 | Very high | 51 Ų | 51 | 46.5 Ų | 46.5 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.9 | 169.2 | -64 | -167 | 142.6 | 0 | 0 | 109.3 | W107 K108 W110 C127 R128 | W107-E119 CarbonylContact C-O 3.57Å; W107-E119 WeakPolarHBondContact CA-O 3.19Å; W107-E119 VanDerWaalsContact CB-O 3.27Å; W107-E119 WeakPolarHBondContact CB-O 3.33Å; K108-E119 PolarHBondContact N-O 3.16Å; K108-E119 PolarHBondContact O-N 3.26Å; W110-E119 HydrophobicContact CH2-CG 3.81Å; W110-E119 HydrophobicContact CZ3-CG 3.87Å; E119-C127 CarbonylContact C-O 3.59Å; E119-C127 WeakPolarHBondContact CA-O 3.4Å; E119-R128 HydrophobicContact CG-CG 4.14Å; E119-R128 WeakPolarHBondContact OE1-CD 3.41Å; E119-R128 IonicContact OE1-CZ 3.92Å; E119-R128 IonicContact OE1-NE 3.72Å; E119-R128 PolarHBondContact OE1-NE 3.43Å; E119-R128 IonicContact OE1-NH2 3.67Å |
| 120 | L | 98.9 | Very high | 98.4 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.8 | 177.8 | -60.9 | 161.9 | 0 | 0 | 0 | 108.5 | Y20 W107 L118 V126 C127 | Y20-L120 HydrophobicContact CD1-CB 4.42Å; Y20-L120 HydrophobicContact CD1-CD1 4.41Å; Y20-L120 HydrophobicContact CD2-CB 4.02Å; Y20-L120 HydrophobicContact CE1-CB 4.2Å; Y20-L120 HydrophobicContact CE1-CD1 4.18Å; Y20-L120 HydrophobicContact CE2-CB 3.78Å; Y20-L120 HydrophobicContact CG-CB 4.33Å; W107-L120 HydrophobicContact CB-CD2 3.84Å; W107-L120 HydrophobicContact CG-CD2 4.46Å; L118-L120 HydrophobicContact CD1-CD2 4.13Å; L118-L120 HydrophobicContact CD1-CG 4.49Å; L118-L120 HydrophobicContact CD2-CD2 4.16Å; L118-L120 HydrophobicContact CD2-CG 4.36Å; L118-L120 HydrophobicContact CG-CD2 4.15Å; L118-L120 HydrophobicContact CG-CG 4.11Å; L120-V126 CarbonylContact O-C 3.57Å; L120-V126 WeakPolarHBondContact O-CA 3.32Å; L120-C127 HydrophobicContact CB-CB 4.17Å; L120-C127 HydrophobicContact CD1-CB 4.49Å; L120-C127 PolarHBondContact N-O 3.45Å; L120-C127 PolarHBondContact O-N 3.26Å |
| 121 | T | 98.8 | Very high | 98.4 | Very high | 32 Ų | 32 | 44.9 Ų | 44.9 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.9 | -175.5 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | N104 R105 G106 Q125 V126 | N104-T121 CarbonylContact O-C 3.45Å; R105-T121 WeakPolarHBondContact CA-O 3.39Å; G106-T121 PolarHBondContact N-O 3.18Å; G106-T121 VanDerWaalsContact N-O 3.1Å; G106-T121 PolarHBondContact N-OG1 2.74Å; G106-T121 PolarHBondContact O-N 3.27Å; G106-T121 PolarHBondContact O-OG1 3.5Å; T121-Q125 WeakPolarHBondContact CA-O 3.31Å; T121-V126 HydrophobicContact CG2-CG1 4.31Å; T121-V126 HydrophobicContact CG2-CG2 4.17Å |
| 122 | C | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 119.7 | 170.6 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | Y20 A23 L24 N104 D124 Q125 | Y20-C122 HydrophobicContact CD2-CB 3.89Å; Y20-C122 HydrophobicContact CE2-CB 3.7Å; A23-C122 HydrophobicContact CB-CB 4.19Å; L24-C122 HydrophobicContact CD2-CB 4.25Å; L24-C122 HydrophobicContact CG-CB 4.46Å; N104-C122 WeakPolarHBondContact O-CA 3.35Å; N104-C122 PolarHBondContact O-N 3.23Å; C122-D124 PolarHBondContact O-N 3.37Å; C122-Q125 PolarHBondContact N-O 3.02Å; C122-Q125 PolarHBondContact O-N 2.81Å |
| 123 | G | 98.1 | Very high | 98.4 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -123.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E103 N104 | E103-G123 PolarHBondContact O-N 2.64Å; N104-G123 PolarHBondContact ND2-O 3.37Å |
| 124 | D | 98.1 | Very high | 98.4 | Very high | 137 Ų | 137 | 51 Ų | 51 | 73% | 0.733 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -1.1 | 176.8 | 68.2 | -17.3 | 0 | 0 | 0 | 113.5 | C122 | C122-D124 PolarHBondContact O-N 3.37Š|
| 125 | Q | 98.8 | Very high | 98.4 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 132 | -176.4 | -59.4 | -56.2 | -56.7 | 0 | 0 | 111.5 | N16 A23 T121 C122 | N16-Q125 PolarHBondContact ND2-OE1 3.42Å; A23-Q125 HydrophobicContact CB-CB 4.13Å; A23-Q125 HydrophobicContact CB-CG 3.76Å; T121-Q125 WeakPolarHBondContact CA-O 3.31Å; C122-Q125 PolarHBondContact N-O 3.02Å; C122-Q125 PolarHBondContact O-N 2.81Å |
| 126 | V | 98.8 | Very high | 98.4 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 26% | 0.255 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.4 | 172.2 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | N16 L120 T121 R128 | N16-V126 WeakPolarHBondContact CB-O 3.43Å; N16-V126 PolarHBondContact ND2-O 2.79Å; L120-V126 CarbonylContact O-C 3.57Å; L120-V126 WeakPolarHBondContact O-CA 3.32Å; T121-V126 HydrophobicContact CG2-CG1 4.31Å; T121-V126 HydrophobicContact CG2-CG2 4.17Å; V126-R128 HydrophobicContact CG1-CG 4.29Å |
| 127 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.6 | 169.4 | 164.1 | 0 | 0 | 0 | 0 | 109.1 | N14 D15 Y20 E119 L120 | N14-C127 PolarHBondContact OD1-SG 3.22Å; N14-C127 VanDerWaalsContact OD1-SG 3.35Å; D15-C127 CarbonylContact O-C 3.53Å; D15-C127 WeakPolarHBondContact O-CA 3.32Å; D15-C127 PolarHBondContact O-SG 2.79Å; D15-C127 VanDerWaalsContact O-SG 3.32Å; Y20-C127 HydrophobicContact CG-CB 4.08Å; E119-C127 CarbonylContact C-O 3.59Å; E119-C127 WeakPolarHBondContact CA-O 3.4Å; L120-C127 HydrophobicContact CB-CB 4.17Å; L120-C127 HydrophobicContact CD1-CB 4.49Å; L120-C127 PolarHBondContact N-O 3.45Å; L120-C127 PolarHBondContact O-N 3.26Å |
| 128 | R | 98.8 | Very high | 98.4 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.8 | -178.8 | -59.1 | -170.1 | 170.4 | 79.1 | 4.8 | 110.7 | D15 E119 V126 | D15-R128 HydrophobicContact CB-CB 4.42Å; D15-R128 PolarHBondContact N-O 3.36Å; D15-R128 PolarHBondContact O-N 3.5Å; E119-R128 HydrophobicContact CG-CG 4.14Å; E119-R128 WeakPolarHBondContact OE1-CD 3.41Å; E119-R128 IonicContact OE1-CZ 3.92Å; E119-R128 IonicContact OE1-NE 3.72Å; E119-R128 PolarHBondContact OE1-NE 3.43Å; E119-R128 IonicContact OE1-NH2 3.67Å; V126-R128 HydrophobicContact CG1-CG 4.29Å |
| 129 | Q | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.7 | -179.6 | -64.6 | -179.8 | -15 | 0 | 0 | 110 | M11 S13 N14 L118 F131 | M11-Q129 HydrophobicContact CE-CB 4.27Å; M11-Q129 VanDerWaalsContact CE-CD 3.41Å; M11-Q129 HydrophobicContact CE-CG 3.88Å; S13-Q129 WeakPolarHBondContact O-CA 3.39Å; N14-Q129 HydrophobicContact CB-CG 4.38Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.33Å; N14-Q129 PolarHBondContact OD1-NE2 3.41Å; L118-Q129 HydrophobicContact CB-CB 4.23Å; L118-Q129 PolarHBondContact N-O 3.01Å; L118-Q129 PolarHBondContact O-N 3.29Å; Q129-F131 HydrophobicContact CB-CD2 4.34Å; Q129-F131 HydrophobicContact CB-CE2 3.56Å; Q129-F131 HydrophobicContact CB-CZ 4.15Å |
| 130 | V | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.9 | 172.3 | -175 | 0 | 0 | 0 | 0 | 107.9 | E12 S13 K115 Y117 | E12-V130 PolarHBondContact N-O 2.91Å; S13-V130 PolarHBondContact N-O 2.94Å; S13-V130 PolarHBondContact O-N 3.31Å; S13-V130 VanDerWaalsContact O-N 3.13Å; S13-V130 WeakPolarHBondContact OG-CB 3.47Å; S13-V130 WeakPolarHBondContact OG-CG2 2.8Å; K115-V130 HydrophobicContact CB-CG1 4.34Å; K115-V130 HydrophobicContact CD-CG1 3.89Å; K115-V130 HydrophobicContact CG-CG1 4.42Å; Y117-V130 HydrophobicContact CD1-CG1 4.45Å; Y117-V130 HydrophobicContact CD1-CG2 3.81Å; Y117-V130 HydrophobicContact CE1-CG1 4.17Å; Y117-V130 HydrophobicContact CE1-CG2 3.87Å |
| 131 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.1 | 176.2 | -54.6 | -108.7 | 0 | 0 | 0 | 109.8 | W9 E10 M11 Q39 K41 K115 L116 L118 Q129 | W9-F131 HydrophobicContact CB-CB 3.68Å; W9-F131 HydrophobicContact CB-CD1 4.43Å; W9-F131 HydrophobicContact CB-CG 4.32Å; E10-F131 CarbonylContact O-C 3.51Å; E10-F131 WeakPolarHBondContact O-CA 3.46Å; M11-F131 HydrophobicContact CB-CD1 3.74Å; M11-F131 HydrophobicContact CB-CE1 3.74Å; M11-F131 HydrophobicContact CE-CE1 3.88Å; M11-F131 HydrophobicContact CE-CE2 4.45Å; M11-F131 HydrophobicContact CE-CZ 3.62Å; M11-F131 HydrophobicContact CG-CE1 4.42Å; Q39-F131 HydrophobicContact CB-CE1 4.1Å; K41-F131 HydrophobicContact CB-CE1 4.38Å; K115-F131 CarbonylContact C-O 3.59Å; K115-F131 VanDerWaalsContact CA-O 3.26Å; K115-F131 WeakPolarHBondContact CA-O 3.02Å; L116-F131 HydrophobicContact CB-CB 4.29Å; L116-F131 HydrophobicContact CD2-CB 4.36Å; L116-F131 HydrophobicContact CD2-CD2 3.9Å; L116-F131 HydrophobicContact CD2-CG 4.24Å; L116-F131 PolarHBondContact N-O 2.68Å; L116-F131 PolarHBondContact O-N 3.29Å; L118-F131 HydrophobicContact CB-CE2 4.15Å; L118-F131 HydrophobicContact CD2-CE2 4.3Å; Q129-F131 HydrophobicContact CB-CD2 4.34Å; Q129-F131 HydrophobicContact CB-CE2 3.56Å; Q129-F131 HydrophobicContact CB-CZ 4.15Å |
| 132 | K | 98.6 | Very high | 98.3 | Very high | 94 Ų | 94 | 58.5 Ų | 58.5 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.9 | 174 | -179.1 | 165.2 | -179.5 | 174 | 0 | 111.1 | W9 E10 E12 D114 K134 | W9-K132 CarbonylContact C-O 3.56Å; W9-K132 WeakPolarHBondContact CA-O 3.33Å; E10-K132 PolarHBondContact N-O 3.33Å; E10-K132 PolarHBondContact O-N 2.96Å; E12-K132 HydrophobicContact CG-CB 3.78Å; E12-K132 WeakPolarHBondContact OE1-CB 3.3Å; E12-K132 WeakPolarHBondContact OE1-CD 3.28Å; D114-K132 WeakPolarHBondContact OD2-CE 3.19Å; K132-K134 PolarHBondContact O-N 3.2Å |
| 133 | K | 98.1 | Very high | 98.2 | Very high | 89 Ų | 89 | 63.3 Ų | 63.3 | 39% | 0.387 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 131.6 | 175.2 | -155.5 | 167.4 | -168 | 164.1 | 0 | 110 | N6 W9 D114 | N6-K133 VanDerWaalsContact O-CE 3.27Å; N6-K133 WeakPolarHBondContact O-CE 3.44Å; N6-K133 PolarHBondContact O-NZ 2.62Å; W9-K133 HydrophobicContact CD2-CG 4.46Å; W9-K133 HydrophobicContact CE3-CB 3.77Å; W9-K133 HydrophobicContact CE3-CG 4.15Å; W9-K133 HydrophobicContact CH2-CB 4.18Å; W9-K133 HydrophobicContact CH2-CD 3.83Å; W9-K133 HydrophobicContact CH2-CG 4.1Å; W9-K133 HydrophobicContact CZ2-CD 4.19Å; W9-K133 HydrophobicContact CZ2-CG 4.4Å; W9-K133 HydrophobicContact CZ3-CB 3.58Å; W9-K133 HydrophobicContact CZ3-CD 4.14Å; W9-K133 HydrophobicContact CZ3-CG 3.97Å; D114-K133 PolarHBondContact O-N 2.83Å |
| 134 | K | 94 | Very high | 98.2 | Very high | 173 Ų | 173 | 66.1 Ų | 66.1 | 75% | 0.752 | 31% | 0.305 | S | S | * | . | trans | -73.8 | 0 | 169.3 | -69.1 | -158 | -179.8 | -159.6 | 0 | 111.9 | T8 E10 K132 | T8-K134 HydrophobicContact CG2-CB 4.46Å; T8-K134 HydrophobicContact CG2-CD 3.74Å; T8-K134 HydrophobicContact CG2-CG 4.04Å; T8-K134 PolarHBondContact O-N 3.06Å; E10-K134 HydrophobicContact CB-CG 4.49Å; E10-K134 WeakPolarHBondContact OE2-CE 3.46Å; E10-K134 IonicContact OE2-NZ 2.7Å; E10-K134 PolarHBondContact OE2-NZ 3.36Å; K132-K134 PolarHBondContact O-N 3.2Å |
Retrieved 134 of 134 residues in 91.3 ms
(Link to these results)