| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 81.8 | Confident | 94.3 | Very high | 173 Ų | 173 | 50 Ų | 50 | 85% | 0.852 | 26% | 0.259 | S | S | * | . | 0 | 158.6 | 0 | -53 | 179.2 | -165.9 | 0 | 0 | 109.3 | D3 K4 | M1-D3 VanDerWaalsContact C-N 3.25Å; M1-D3 WeakPolarHBondContact CB-OD2 3.16Å; M1-D3 PolarHBondContact O-N 3.23Å; M1-K4 WeakPolarHBondContact O-CE 3.47Å | |||
| 2 | V | 89.1 | Confident | 94.5 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -70.8 | -24.7 | -178.6 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | K4 F5 M45 I51 L68 L88 | V2-K4 PolarHBondContact O-N 2.68Å; V2-F5 WeakPolarHBondContact O-CB 3.47Å; V2-F5 WeakPolarHBondContact O-CD2 3.35Å; V2-F5 PolarHBondContact O-N 2.99Å; V2-M45 HydrophobicContact CB-SD 4.26Å; V2-M45 HydrophobicContact CG1-SD 4.45Å; V2-I51 HydrophobicContact CB-CD1 4.39Å; V2-I51 HydrophobicContact CG1-CD1 3.86Å; V2-I51 HydrophobicContact CG1-CG1 4.09Å; V2-I51 HydrophobicContact CG2-CD1 3.85Å; V2-L68 HydrophobicContact CG2-CD1 3.62Å; V2-L68 HydrophobicContact CG2-CG 4.37Å; V2-L88 HydrophobicContact CG2-CD1 3.56Å; V2-L88 HydrophobicContact CG2-CD2 4.37Å; V2-L88 HydrophobicContact CG2-CG 4.07Å |
| 3 | D | 92.4 | Very high | 94.6 | Very high | 88 Ų | 88 | 51.3 Ų | 51.3 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -50.9 | -34.1 | -175 | -52.7 | -89.7 | 0 | 0 | 0 | 114 | M1 F5 V6 M45 | M1-D3 VanDerWaalsContact C-N 3.25Å; M1-D3 WeakPolarHBondContact CB-OD2 3.16Å; M1-D3 PolarHBondContact O-N 3.23Å; D3-F5 PolarHBondContact O-N 2.81Å; D3-V6 WeakPolarHBondContact O-CB 3.34Å; D3-V6 PolarHBondContact O-N 3.13Å; D3-M45 VanDerWaalsContact OD1-CE 3.25Å; D3-M45 WeakPolarHBondContact OD1-CE 3.46Å |
| 4 | K | 93.9 | Very high | 94.8 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -61.8 | -26.2 | 176.7 | 66.1 | -179.1 | 156.9 | -179.3 | 0 | 113.7 | M1 V2 C91 V110 | M1-K4 WeakPolarHBondContact O-CE 3.47Å; V2-K4 PolarHBondContact O-N 2.68Å; K4-C91 WeakPolarHBondContact CE-O 3.49Å; K4-C91 PolarHBondContact NZ-O 3.36Å; K4-V110 HydrophobicContact CG-CG2 4.49Å |
| 5 | F | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -86.7 | -17.1 | 178.2 | -59.4 | -79.1 | 0 | 0 | 0 | 112.3 | V2 D3 G7 W9 I43 L88 L93 R108 V110 L116 | V2-F5 WeakPolarHBondContact O-CB 3.47Å; V2-F5 WeakPolarHBondContact O-CD2 3.35Å; V2-F5 PolarHBondContact O-N 2.99Å; D3-F5 PolarHBondContact O-N 2.81Å; F5-G7 PolarHBondContact O-N 3.5Å; F5-W9 PolarHBondContact O-NE1 3Å; F5-I43 HydrophobicContact CB-CD1 3.97Å; F5-I43 HydrophobicContact CB-CG2 4.43Å; F5-I43 WeakPolarHBondContact O-CB 3.34Å; F5-L88 HydrophobicContact CE2-CD2 3.98Å; F5-L93 HydrophobicContact CD1-CB 4.46Å; F5-L93 HydrophobicContact CD2-CB 4.17Å; F5-L93 HydrophobicContact CE1-CB 4.12Å; F5-L93 HydrophobicContact CE2-CB 3.8Å; F5-L93 HydrophobicContact CG-CB 4.5Å; F5-L93 HydrophobicContact CZ-CB 3.78Å; F5-R108 HydrophobicContact CD1-CB 4.46Å; F5-R108 HydrophobicContact CE1-CB 4.06Å; F5-R108 WeakPolarHBondContact CE1-O 3.34Å; F5-R108 VanDerWaalsContact CZ-O 3.28Å; F5-R108 WeakPolarHBondContact CZ-O 3.49Å; F5-V110 HydrophobicContact CD1-CG2 3.63Å; F5-V110 HydrophobicContact CE1-CG2 3.79Å; F5-V110 HydrophobicContact CG-CG2 4.38Å; F5-L116 HydrophobicContact CD1-CD1 4.06Å |
| 6 | V | 96.8 | Very high | 95.2 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | trans | -64.9 | 132.2 | -177.8 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | D3 I43 M45 K133 | D3-V6 WeakPolarHBondContact O-CB 3.34Å; D3-V6 PolarHBondContact O-N 3.13Å; V6-I43 WeakPolarHBondContact CA-O 3.45Å; V6-M45 HydrophobicContact CG2-CB 4.2Å; V6-K133 WeakPolarHBondContact O-CE 3.48Å; V6-K133 PolarHBondContact O-NZ 3.27Å | ||
| 7 | G | 96.9 | Very high | 95.3 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 19% | 0.186 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.9 | -176.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F5 I43 | F5-G7 PolarHBondContact O-N 3.5Å; G7-I43 PolarHBondContact N-O 3.06Å; G7-I43 PolarHBondContact O-N 3.19Å |
| 8 | T | 97.8 | Very high | 95.4 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132 | 175.1 | -57.4 | 0 | 0 | 0 | 0 | 109.9 | I42 E134 | T8-I42 HydrophobicContact CG2-CG1 3.9Å; T8-E134 HydrophobicContact CG2-CB 4.16Å; T8-E134 WeakPolarHBondContact CG2-OE2 3.43Å; T8-E134 PolarHBondContact O-N 2.81Å |
| 9 | W | 98.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.011 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 117.6 | -177 | -59.1 | 90 | 0 | 0 | 0 | 109.6 | F5 S40 L41 V110 G114 L116 Y131 M132 K133 | F5-W9 PolarHBondContact O-NE1 3Å; W9-S40 CarbonylContact O-C 3.53Å; W9-S40 WeakPolarHBondContact O-CA 3.41Å; W9-L41 HydrophobicContact CB-CB 4.22Å; W9-L41 WeakPolarHBondContact CB-O 3.36Å; W9-L41 PolarHBondContact N-O 3.26Å; W9-L41 PolarHBondContact O-N 2.82Å; W9-V110 HydrophobicContact CH2-CG1 3.94Å; W9-V110 HydrophobicContact CH2-CG2 3.86Å; W9-V110 HydrophobicContact CZ2-CG2 3.96Å; W9-G114 WeakPolarHBondContact CZ3-O 3.25Å; W9-L116 HydrophobicContact CD2-CB 3.75Å; W9-L116 HydrophobicContact CD2-CD1 3.83Å; W9-L116 HydrophobicContact CD2-CG 4.46Å; W9-L116 HydrophobicContact CE3-CB 3.44Å; W9-L116 VanDerWaalsContact CE3-CB 3.44Å; W9-L116 HydrophobicContact CE3-CD1 4.39Å; W9-L116 HydrophobicContact CG-CB 4.41Å; W9-L116 HydrophobicContact CG-CD1 3.99Å; W9-L116 HydrophobicContact CH2-CB 4.16Å; W9-L116 HydrophobicContact CZ2-CB 4.43Å; W9-L116 HydrophobicContact CZ2-CD1 4.27Å; W9-L116 HydrophobicContact CZ3-CB 3.66Å; W9-Y131 HydrophobicContact CB-CD1 4.25Å; W9-Y131 HydrophobicContact CB-CG 4.3Å; W9-M132 CarbonylContact C-O 3.49Å; W9-M132 WeakPolarHBondContact CA-O 3.27Å; W9-K133 HydrophobicContact CD2-CB 4.4Å; W9-K133 HydrophobicContact CD2-CG 4.39Å; W9-K133 HydrophobicContact CE3-CB 3.81Å; W9-K133 HydrophobicContact CE3-CG 4.27Å; W9-K133 HydrophobicContact CH2-CB 4.07Å; W9-K133 HydrophobicContact CH2-CD 4Å; W9-K133 HydrophobicContact CH2-CG 4.2Å; W9-K133 HydrophobicContact CZ2-CD 4.08Å; W9-K133 HydrophobicContact CZ2-CG 4.31Å; W9-K133 HydrophobicContact CZ3-CB 3.63Å; W9-K133 HydrophobicContact CZ3-CD 4.44Å; W9-K133 HydrophobicContact CZ3-CG 4.18Å |
| 10 | K | 97.1 | Very high | 95.7 | Very high | 97 Ų | 97 | 53.2 Ų | 53.2 | 42% | 0.422 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130 | 176.8 | -73.7 | -171.5 | 176.3 | 166.4 | 0 | 110.8 | I12 Y131 M132 E134 | K10-I12 PolarHBondContact O-N 3Å; K10-Y131 CarbonylContact O-C 3.57Å; K10-Y131 WeakPolarHBondContact O-CA 3.32Å; K10-M132 PolarHBondContact N-O 3.33Å; K10-M132 PolarHBondContact O-N 2.87Å; K10-E134 WeakPolarHBondContact CE-OE1 3.39Å; K10-E134 IonicContact NZ-OE1 2.74Å; K10-E134 PolarHBondContact NZ-OE1 3.21Å |
| 11 | M | 96.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.069 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 130.1 | 177.8 | -172.4 | -179.6 | -65.1 | 0 | 0 | 111.9 | K38 P39 R129 Y131 | M11-K38 HydrophobicContact CB-CB 4.37Å; M11-P39 WeakPolarHBondContact CB-O 3.45Å; M11-P39 VanDerWaalsContact CE-CD 3.45Å; M11-P39 HydrophobicContact CE-CG 3.55Å; M11-R129 HydrophobicContact CE-CB 4.42Å; M11-R129 VanDerWaalsContact SD-CZ 3.58Å; M11-R129 PolarHBondContact SD-NE 3.5Å; M11-R129 VanDerWaalsContact SD-NE 3.41Å; M11-R129 PolarHBondContact SD-NH2 3.21Å; M11-Y131 HydrophobicContact CB-CD1 3.74Å; M11-Y131 HydrophobicContact CB-CE1 3.75Å; M11-Y131 HydrophobicContact CB-CG 4.47Å; M11-Y131 HydrophobicContact CE-CD1 4.44Å; M11-Y131 HydrophobicContact CE-CE1 3.46Å; M11-Y131 VanDerWaalsContact CE-CE1 3.46Å; M11-Y131 HydrophobicContact CE-CE2 4.27Å; M11-Y131 WeakPolarHBondContact CE-OH 3.5Å; M11-Y131 HydrophobicContact CG-CD1 4.4Å; M11-Y131 HydrophobicContact CG-CE1 4.24Å |
| 12 | I | 96.2 | Very high | 96.5 | Very high | 77 Ų | 77 | 49 Ų | 49 | 40% | 0.395 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -31.8 | 178.9 | 61.9 | 170.7 | 0 | 0 | 0 | 112.5 | K10 T130 M132 | K10-I12 PolarHBondContact O-N 3Å; I12-T130 HydrophobicContact CD1-CG2 3.73Å; I12-T130 HydrophobicContact CG1-CG2 3.71Å; I12-T130 WeakPolarHBondContact CG1-O 3.33Å; I12-T130 PolarHBondContact N-O 3.39Å; I12-M132 HydrophobicContact CD1-CB 4.46Å; I12-M132 HydrophobicContact CG2-CB 3.94Å |
| 13 | S | 96.2 | Very high | 96.9 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 158.3 | 175.5 | 76.1 | 0 | 0 | 0 | 0 | 112.5 | T130 | S13-T130 PolarHBondContact N-O 3.1Å; S13-T130 PolarHBondContact O-N 3.46Å; S13-T130 VanDerWaalsContact OG-CB 3.25Å; S13-T130 WeakPolarHBondContact OG-CB 3.41Å; S13-T130 PolarHBondContact OG-OG1 3.03Å |
| 14 | S | 96.8 | Very high | 97.2 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 119.2 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | F17 V128 R129 | S14-F17 WeakPolarHBondContact OG-CB 3.39Å; S14-V128 CarbonylContact C-O 3.45Å; S14-V128 WeakPolarHBondContact CA-O 3.37Å; S14-R129 PolarHBondContact OG-NE 3.16Å |
| 15 | E | 97.9 | Very high | 97.2 | Very high | 119 Ų | 119 | 46.4 Ų | 46.4 | 56% | 0.556 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.7 | -176.2 | -67.3 | 169.3 | -145.7 | 0 | 0 | 109.4 | F17 A127 V128 | E15-F17 PolarHBondContact O-N 2.81Å; E15-A127 VanDerWaalsContact O-CA 3.32Å; E15-A127 WeakPolarHBondContact O-CA 3.25Å; E15-A127 WeakPolarHBondContact O-CB 3.46Å; E15-V128 PolarHBondContact N-O 2.95Å; E15-V128 PolarHBondContact O-N 3.22Å |
| 16 | N | 98 | Very high | 97.1 | Very high | 80 Ų | 80 | 47 Ų | 47 | 43% | 0.428 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 57.4 | 18.5 | 176.3 | -153.3 | 36.1 | 0 | 0 | 0 | 116.5 | D18 D19 Y20 I126 A127 | N16-D18 VanDerWaalsContact C-N 3.35Å; N16-D18 PolarHBondContact O-N 2.74Å; N16-D19 PolarHBondContact O-N 2.49Å; N16-D19 PolarHBondContact OD1-OD2 3.09Å; N16-D19 VanDerWaalsContact OD1-OD2 3.08Å; N16-Y20 PolarHBondContact O-N 2.71Å; N16-I126 WeakPolarHBondContact CB-O 3.46Å; N16-I126 PolarHBondContact ND2-O 2.77Å; N16-A127 HydrophobicContact CB-CB 4.47Å |
| 17 | F | 97.3 | Very high | 97 | Very high | 29 Ų | 29 | 47 Ų | 47 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71 | -26.8 | -174.5 | -167.2 | -111.1 | 0 | 0 | 0 | 113.5 | S14 E15 Y20 M21 A127 R129 | S14-F17 WeakPolarHBondContact OG-CB 3.39Å; E15-F17 PolarHBondContact O-N 2.81Å; F17-Y20 AromaticContact CD2-CD1 3.89Å; F17-Y20 HydrophobicContact CD2-CD1 3.89Å; F17-Y20 AromaticContact CE2-CD1 3.59Å; F17-Y20 HydrophobicContact CE2-CD1 3.59Å; F17-Y20 AromaticContact CE2-CE1 3.99Å; F17-Y20 HydrophobicContact CE2-CE1 3.99Å; F17-Y20 HydrophobicContact CZ-CD1 4.41Å; F17-Y20 PolarHBondContact O-N 2.82Å; F17-M21 HydrophobicContact CD1-CE 3.45Å; F17-M21 VanDerWaalsContact CD1-CE 3.45Å; F17-M21 HydrophobicContact CD1-CG 4Å; F17-M21 HydrophobicContact CD1-SD 3.79Å; F17-M21 HydrophobicContact CE1-CE 3.66Å; F17-M21 HydrophobicContact CE1-CG 3.56Å; F17-M21 HydrophobicContact CE1-SD 3.29Å; F17-M21 WeakPolarHBondContact CE1-SD 3.38Å; F17-M21 HydrophobicContact CE2-CG 4.41Å; F17-M21 HydrophobicContact CG-CE 4.38Å; F17-M21 HydrophobicContact CZ-CG 3.78Å; F17-M21 HydrophobicContact CZ-SD 4.04Å; F17-M21 WeakPolarHBondContact O-CB 3.45Å; F17-M21 WeakPolarHBondContact O-CG 3.29Å; F17-M21 PolarHBondContact O-N 2.73Å; F17-A127 HydrophobicContact CB-CB 4.38Å; F17-A127 HydrophobicContact CD2-CB 4.16Å; F17-R129 HydrophobicContact CD2-CG 4.45Å; F17-R129 VanDerWaalsContact CE2-NH1 3.28Å |
| 18 | D | 97.4 | Very high | 96.8 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 173.6 | -165.6 | 73.5 | 0 | 0 | 0 | 111.5 | N16 Y20 M21 K22 R31 N35 | N16-D18 VanDerWaalsContact C-N 3.35Å; N16-D18 PolarHBondContact O-N 2.74Å; D18-Y20 VanDerWaalsContact C-N 3.35Å; D18-Y20 PolarHBondContact O-N 3.49Å; D18-M21 PolarHBondContact O-N 2.82Å; D18-K22 WeakPolarHBondContact O-CB 3.28Å; D18-K22 PolarHBondContact O-N 2.88Å; D18-R31 WeakPolarHBondContact O-CD 3.28Å; D18-R31 VanDerWaalsContact OD1-CB 3.27Å; D18-R31 WeakPolarHBondContact OD1-CB 3.32Å; D18-R31 IonicContact OD1-NE 3.62Å; D18-R31 PolarHBondContact OD1-NE 2.82Å; D18-R31 IonicContact OD2-NE 3.33Å; D18-R31 PolarHBondContact OD2-NE 3.24Å; D18-R31 IonicContact OD2-NH2 3.4Å; D18-N35 WeakPolarHBondContact CB-ND2 3.15Å; D18-N35 PolarHBondContact N-OD1 2.86Å; D18-N35 PolarHBondContact OD1-ND2 2.81Å |
| 19 | D | 98.3 | Very high | 96.5 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | -179.6 | -76.4 | -23.7 | 0 | 0 | 0 | 111.3 | N16 K22 A23 V125 | N16-D19 PolarHBondContact O-N 2.49Å; N16-D19 PolarHBondContact OD1-OD2 3.09Å; N16-D19 VanDerWaalsContact OD1-OD2 3.08Å; D19-K22 WeakPolarHBondContact O-CB 3.2Å; D19-K22 PolarHBondContact O-N 2.84Å; D19-A23 WeakPolarHBondContact O-CB 3.22Å; D19-A23 PolarHBondContact O-N 3.44Å; D19-V125 HydrophobicContact CB-CG1 4Å |
| 20 | Y | 98.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 58 Ų | 58 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 172.1 | 172.6 | -100.8 | 0 | 0 | 0 | 111.7 | N16 F17 D18 K22 A23 L24 T104 C120 M122 A127 | N16-Y20 PolarHBondContact O-N 2.71Å; F17-Y20 AromaticContact CD2-CD1 3.89Å; F17-Y20 HydrophobicContact CD2-CD1 3.89Å; F17-Y20 AromaticContact CE2-CD1 3.59Å; F17-Y20 HydrophobicContact CE2-CD1 3.59Å; F17-Y20 AromaticContact CE2-CE1 3.99Å; F17-Y20 HydrophobicContact CE2-CE1 3.99Å; F17-Y20 HydrophobicContact CZ-CD1 4.41Å; F17-Y20 PolarHBondContact O-N 2.82Å; D18-Y20 VanDerWaalsContact C-N 3.35Å; D18-Y20 PolarHBondContact O-N 3.49Å; Y20-K22 VanDerWaalsContact C-N 3.28Å; Y20-K22 PolarHBondContact O-N 3Å; Y20-A23 PolarHBondContact O-N 3.2Å; Y20-L24 HydrophobicContact CD1-CD1 4.05Å; Y20-L24 HydrophobicContact CE1-CD1 3.39Å; Y20-L24 HydrophobicContact CE1-CG 4.14Å; Y20-L24 HydrophobicContact CE2-CD1 4.42Å; Y20-L24 HydrophobicContact CE2-CD2 4.39Å; Y20-L24 HydrophobicContact CE2-CG 4.36Å; Y20-L24 WeakPolarHBondContact O-CG 3.41Å; Y20-L24 PolarHBondContact O-N 2.99Å; Y20-T104 WeakPolarHBondContact CE2-OG1 3.28Å; Y20-T104 PolarHBondContact OH-OG1 3.43Å; Y20-C120 HydrophobicContact CD1-CB 4.01Å; Y20-C120 HydrophobicContact CD2-CB 3.83Å; Y20-C120 HydrophobicContact CE1-CB 3.77Å; Y20-C120 HydrophobicContact CE2-CB 3.59Å; Y20-C120 HydrophobicContact CG-CB 4.03Å; Y20-M122 HydrophobicContact CD2-CB 4.02Å; Y20-M122 HydrophobicContact CE2-CB 3.87Å; Y20-A127 HydrophobicContact CG-CB 4.14Å |
| 21 | M | 97.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | 176 | -75.6 | -172.2 | -67.7 | 0 | 0 | 112 | F17 D18 L24 G25 V26 R31 N35 | F17-M21 HydrophobicContact CD1-CE 3.45Å; F17-M21 VanDerWaalsContact CD1-CE 3.45Å; F17-M21 HydrophobicContact CD1-CG 4Å; F17-M21 HydrophobicContact CD1-SD 3.79Å; F17-M21 HydrophobicContact CE1-CE 3.66Å; F17-M21 HydrophobicContact CE1-CG 3.56Å; F17-M21 HydrophobicContact CE1-SD 3.29Å; F17-M21 WeakPolarHBondContact CE1-SD 3.38Å; F17-M21 HydrophobicContact CE2-CG 4.41Å; F17-M21 HydrophobicContact CG-CE 4.38Å; F17-M21 HydrophobicContact CZ-CG 3.78Å; F17-M21 HydrophobicContact CZ-SD 4.04Å; F17-M21 WeakPolarHBondContact O-CB 3.45Å; F17-M21 WeakPolarHBondContact O-CG 3.29Å; F17-M21 PolarHBondContact O-N 2.73Å; D18-M21 PolarHBondContact O-N 2.82Å; M21-L24 WeakPolarHBondContact O-CB 3.39Å; M21-L24 PolarHBondContact O-N 2.75Å; M21-G25 PolarHBondContact O-N 2.91Å; M21-V26 HydrophobicContact CB-CB 4.02Å; M21-V26 HydrophobicContact CB-CG1 4.5Å; M21-V26 HydrophobicContact CB-CG2 4.16Å; M21-V26 WeakPolarHBondContact O-CB 3.45Å; M21-V26 WeakPolarHBondContact O-CG2 3.41Å; M21-V26 PolarHBondContact O-N 2.92Å; M21-R31 HydrophobicContact CB-CG 3.76Å; M21-R31 HydrophobicContact CE-CB 3.75Å; M21-R31 HydrophobicContact CE-CG 4.13Å; M21-R31 WeakPolarHBondContact CE-O 3.37Å; M21-R31 HydrophobicContact SD-CB 4.34Å; M21-R31 HydrophobicContact SD-CG 4.26Å; M21-N35 WeakPolarHBondContact CE-ND2 3.27Å |
| 22 | K | 97.7 | Very high | 95.9 | Very high | 126 Ų | 126 | 57.4 Ų | 57.4 | 55% | 0.548 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.7 | -176.3 | -176.5 | 175.4 | -172.7 | 0 | 111.2 | D18 D19 Y20 L24 G25 | D18-K22 WeakPolarHBondContact O-CB 3.28Å; D18-K22 PolarHBondContact O-N 2.88Å; D19-K22 WeakPolarHBondContact O-CB 3.2Å; D19-K22 PolarHBondContact O-N 2.84Å; Y20-K22 VanDerWaalsContact C-N 3.28Å; Y20-K22 PolarHBondContact O-N 3Å; K22-L24 VanDerWaalsContact C-N 3.29Å; K22-L24 PolarHBondContact O-N 2.84Å; K22-G25 WeakPolarHBondContact O-CA 3.45Å; K22-G25 PolarHBondContact O-N 2.81Å |
| 23 | A | 97.7 | Very high | 95.7 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -33.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D19 Y20 G25 M122 V125 | D19-A23 WeakPolarHBondContact O-CB 3.22Å; D19-A23 PolarHBondContact O-N 3.44Å; Y20-A23 PolarHBondContact O-N 3.2Å; A23-G25 PolarHBondContact O-N 2.92Å; A23-M122 HydrophobicContact CB-CB 4.17Å; A23-M122 HydrophobicContact CB-CG 3.81Å; A23-V125 HydrophobicContact CB-CB 4.22Å; A23-V125 HydrophobicContact CB-CG2 4.05Å |
| 24 | L | 96.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68 | -16.9 | 171.2 | -67.6 | 178.8 | 0 | 0 | 0 | 113.5 | Y20 M21 K22 V26 W99 T104 M122 | Y20-L24 HydrophobicContact CD1-CD1 4.05Å; Y20-L24 HydrophobicContact CE1-CD1 3.39Å; Y20-L24 HydrophobicContact CE1-CG 4.14Å; Y20-L24 HydrophobicContact CE2-CD1 4.42Å; Y20-L24 HydrophobicContact CE2-CD2 4.39Å; Y20-L24 HydrophobicContact CE2-CG 4.36Å; Y20-L24 WeakPolarHBondContact O-CG 3.41Å; Y20-L24 PolarHBondContact O-N 2.99Å; M21-L24 WeakPolarHBondContact O-CB 3.39Å; M21-L24 PolarHBondContact O-N 2.75Å; K22-L24 VanDerWaalsContact C-N 3.29Å; K22-L24 PolarHBondContact O-N 2.84Å; L24-V26 HydrophobicContact CB-CG2 4.1Å; L24-W99 HydrophobicContact CD2-CH2 3.53Å; L24-W99 HydrophobicContact CD2-CZ2 3.99Å; L24-T104 HydrophobicContact CD2-CG2 4.03Å; L24-M122 HydrophobicContact CD2-CB 4.43Å; L24-M122 HydrophobicContact CD2-CG 4.18Å; L24-M122 HydrophobicContact CD2-SD 3.91Å |
| 25 | G | 94.6 | Very high | 95.2 | Very high | 60 Ų | 60 | 56.1 Ų | 56.1 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.5 | 13.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M21 K22 A23 G27 | M21-G25 PolarHBondContact O-N 2.91Å; K22-G25 WeakPolarHBondContact O-CA 3.45Å; K22-G25 PolarHBondContact O-N 2.81Å; A23-G25 PolarHBondContact O-N 2.92Å; G25-G27 PolarHBondContact O-N 2.85Å |
| 26 | V | 95.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 59.9 Ų | 59.9 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | trans | -68.3 | 129.8 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | M21 L24 T30 R31 D78 | M21-V26 HydrophobicContact CB-CB 4.02Å; M21-V26 HydrophobicContact CB-CG1 4.5Å; M21-V26 HydrophobicContact CB-CG2 4.16Å; M21-V26 WeakPolarHBondContact O-CB 3.45Å; M21-V26 WeakPolarHBondContact O-CG2 3.41Å; M21-V26 PolarHBondContact O-N 2.92Å; L24-V26 HydrophobicContact CB-CG2 4.1Å; V26-T30 HydrophobicContact CG1-CG2 3.67Å; V26-R31 HydrophobicContact CB-CG 4.02Å; V26-R31 HydrophobicContact CG1-CG 3.79Å; V26-R31 PolarHBondContact O-NH1 2.8Å; V26-D78 HydrophobicContact CG2-CB 3.83Å; V26-D78 VanDerWaalsContact CG2-OD2 3.32Å; V26-D78 WeakPolarHBondContact CG2-OD2 3.41Å | ||
| 27 | G | 94.3 | Very high | 94.4 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | trans | -63.6 | 149.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | G25 A29 T30 R31 | G25-G27 PolarHBondContact O-N 2.85Å; G27-A29 VanDerWaalsContact C-N 3.35Å; G27-A29 PolarHBondContact O-N 3.03Å; G27-T30 PolarHBondContact O-N 2.81Å; G27-T30 VanDerWaalsContact O-N 3.15Å; G27-R31 WeakPolarHBondContact O-CG 3.35Å; G27-R31 PolarHBondContact O-N 2.82Å; G27-R31 VanDerWaalsContact O-N 3.1Å | ||
| 28 | F | 93.3 | Very high | 94.1 | Very high | 136 Ų | 136 | 62.9 Ų | 62.9 | 60% | 0.596 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -52.2 | -44.8 | -171.4 | 177.9 | -100.7 | 0 | 0 | 0 | 114.3 | T30 R31 Q32 | F28-T30 PolarHBondContact O-N 2.88Å; F28-R31 WeakPolarHBondContact O-CB 3.46Å; F28-R31 PolarHBondContact O-N 2.83Å; F28-Q32 HydrophobicContact CD1-CG 4.36Å; F28-Q32 HydrophobicContact CE1-CG 3.93Å; F28-Q32 HydrophobicContact CE2-CG 4.34Å; F28-Q32 HydrophobicContact CZ-CG 3.93Å; F28-Q32 WeakPolarHBondContact O-CG 3.4Å; F28-Q32 PolarHBondContact O-N 3.41Å |
| 29 | A | 92.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 61.4 Ų | 61.4 | 61% | 0.612 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G27 R31 Q32 V33 | G27-A29 VanDerWaalsContact C-N 3.35Å; G27-A29 PolarHBondContact O-N 3.03Å; A29-R31 VanDerWaalsContact C-N 3.29Å; A29-R31 PolarHBondContact O-N 2.91Å; A29-Q32 PolarHBondContact O-N 2.83Å; A29-V33 PolarHBondContact O-N 2.88Å |
| 30 | T | 90.9 | Very high | 93.7 | Very high | 81 Ų | 81 | 59.1 Ų | 59.1 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 176.6 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | V26 G27 F28 V33 G34 | V26-T30 HydrophobicContact CG1-CG2 3.67Å; G27-T30 PolarHBondContact O-N 2.81Å; G27-T30 VanDerWaalsContact O-N 3.15Å; F28-T30 PolarHBondContact O-N 2.88Å; T30-V33 PolarHBondContact O-N 2.8Å; T30-G34 PolarHBondContact O-N 2.91Å |
| 31 | R | 95.1 | Very high | 93.7 | Very high | 30 Ų | 30 | 59 Ų | 59 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.8 | -58.5 | -158 | -54.2 | -93 | 5.1 | 112.6 | D18 M21 V26 G27 F28 A29 V33 G34 N35 | D18-R31 WeakPolarHBondContact O-CD 3.28Å; D18-R31 VanDerWaalsContact OD1-CB 3.27Å; D18-R31 WeakPolarHBondContact OD1-CB 3.32Å; D18-R31 IonicContact OD1-NE 3.62Å; D18-R31 PolarHBondContact OD1-NE 2.82Å; D18-R31 IonicContact OD2-NE 3.33Å; D18-R31 PolarHBondContact OD2-NE 3.24Å; D18-R31 IonicContact OD2-NH2 3.4Å; M21-R31 HydrophobicContact CB-CG 3.76Å; M21-R31 HydrophobicContact CE-CB 3.75Å; M21-R31 HydrophobicContact CE-CG 4.13Å; M21-R31 WeakPolarHBondContact CE-O 3.37Å; M21-R31 HydrophobicContact SD-CB 4.34Å; M21-R31 HydrophobicContact SD-CG 4.26Å; V26-R31 HydrophobicContact CB-CG 4.02Å; V26-R31 HydrophobicContact CG1-CG 3.79Å; V26-R31 PolarHBondContact O-NH1 2.8Å; G27-R31 WeakPolarHBondContact O-CG 3.35Å; G27-R31 PolarHBondContact O-N 2.82Å; G27-R31 VanDerWaalsContact O-N 3.1Å; F28-R31 WeakPolarHBondContact O-CB 3.46Å; F28-R31 PolarHBondContact O-N 2.83Å; A29-R31 VanDerWaalsContact C-N 3.29Å; A29-R31 PolarHBondContact O-N 2.91Å; R31-V33 VanDerWaalsContact C-N 3.3Å; R31-V33 PolarHBondContact O-N 3.48Å; R31-G34 PolarHBondContact O-N 2.82Å; R31-N35 PolarHBondContact O-N 2.92Å; R31-N35 PolarHBondContact O-ND2 2.93Å |
| 32 | Q | 93.6 | Very high | 93.7 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 176.7 | -70.3 | -60.8 | -51.6 | 0 | 0 | 112.3 | F28 A29 R36 | F28-Q32 HydrophobicContact CD1-CG 4.36Å; F28-Q32 HydrophobicContact CE1-CG 3.93Å; F28-Q32 HydrophobicContact CE2-CG 4.34Å; F28-Q32 HydrophobicContact CZ-CG 3.93Å; F28-Q32 WeakPolarHBondContact O-CG 3.4Å; F28-Q32 PolarHBondContact O-N 3.41Å; A29-Q32 PolarHBondContact O-N 2.83Å; Q32-R36 WeakPolarHBondContact O-CG 3.36Å |
| 33 | V | 91.1 | Very high | 93.7 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 35% | 0.345 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.7 | -46.5 | 175 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | A29 T30 R31 N35 R36 T37 F59 | A29-V33 PolarHBondContact O-N 2.88Å; T30-V33 PolarHBondContact O-N 2.8Å; R31-V33 VanDerWaalsContact C-N 3.3Å; R31-V33 PolarHBondContact O-N 3.48Å; V33-N35 VanDerWaalsContact C-N 3.35Å; V33-N35 PolarHBondContact O-N 2.76Å; V33-R36 PolarHBondContact O-N 2.85Å; V33-T37 PolarHBondContact O-N 2.9Å; V33-T37 VanDerWaalsContact O-N 3.12Å; V33-T37 PolarHBondContact O-OG1 2.9Å; V33-F59 HydrophobicContact CG1-CD1 4.07Å; V33-F59 HydrophobicContact CG1-CD2 4.08Å; V33-F59 HydrophobicContact CG1-CE1 4.24Å; V33-F59 HydrophobicContact CG1-CE2 4.24Å; V33-F59 HydrophobicContact CG1-CG 3.99Å; V33-F59 HydrophobicContact CG1-CZ 4.32Å |
| 34 | G | 90.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -37.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T30 R31 T37 | T30-G34 PolarHBondContact O-N 2.91Å; R31-G34 PolarHBondContact O-N 2.82Å; G34-T37 PolarHBondContact O-N 2.98Å |
| 35 | N | 91.4 | Very high | 93.7 | Very high | 58 Ų | 58 | 58.6 Ų | 58.6 | 31% | 0.31 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.2 | -30.9 | 177 | -75.9 | -55.7 | 0 | 0 | 0 | 113.4 | D18 M21 R31 V33 | D18-N35 WeakPolarHBondContact CB-ND2 3.15Å; D18-N35 PolarHBondContact N-OD1 2.86Å; D18-N35 PolarHBondContact OD1-ND2 2.81Å; M21-N35 WeakPolarHBondContact CE-ND2 3.27Å; R31-N35 PolarHBondContact O-N 2.92Å; R31-N35 PolarHBondContact O-ND2 2.93Å; V33-N35 VanDerWaalsContact C-N 3.35Å; V33-N35 PolarHBondContact O-N 2.76Å |
| 36 | R | 90.1 | Very high | 93.7 | Very high | 198 Ų | 198 | 59.2 Ų | 59.2 | 75% | 0.747 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -83.1 | -19.1 | 179.1 | -65.6 | 176.2 | -171.3 | -172.1 | 3.1 | 112.5 | Q32 V33 | Q32-R36 WeakPolarHBondContact O-CG 3.36Å; V33-R36 PolarHBondContact O-N 2.85Å |
| 37 | T | 89.6 | Confident | 93.5 | Very high | 23 Ų | 23 | 67 Ų | 67 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | trans | -81.3 | 130.9 | -176.4 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | V33 G34 P39 R129 | V33-T37 PolarHBondContact O-N 2.9Å; V33-T37 VanDerWaalsContact O-N 3.12Å; V33-T37 PolarHBondContact O-OG1 2.9Å; G34-T37 PolarHBondContact O-N 2.98Å; T37-P39 VanDerWaalsContact C-CD 3.5Å; T37-P39 VanDerWaalsContact O-CD 3.24Å; T37-P39 WeakPolarHBondContact O-CD 3.33Å; T37-R129 PolarHBondContact O-NH2 3.36Å | ||
| 38 | K | 90.9 | Very high | 93.4 | Very high | 149 Ų | 149 | 73.4 Ų | 73.4 | 65% | 0.648 | 38% | 0.376 | S | S | * | . | trans | -111.8 | 81.1 | 172.9 | -64.1 | -173.3 | -179.5 | -172.1 | 0 | 109.5 | M11 | M11-K38 HydrophobicContact CB-CB 4.37Š| ||
| 39 | P | 92.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 68.5 Ų | 68.5 | 8% | 0.078 | 36% | 0.364 | C | S | . | . | trans | -69.3 | 148 | -179.4 | 28.1 | -34.3 | 0 | 0 | 0 | 111.9 | M11 T37 Q56 | M11-P39 WeakPolarHBondContact CB-O 3.45Å; M11-P39 VanDerWaalsContact CE-CD 3.45Å; M11-P39 HydrophobicContact CE-CG 3.55Å; T37-P39 VanDerWaalsContact C-CD 3.5Å; T37-P39 VanDerWaalsContact O-CD 3.24Å; T37-P39 WeakPolarHBondContact O-CD 3.33Å; P39-Q56 CarbonylContact C-O 3.46Å; P39-Q56 WeakPolarHBondContact CA-O 3.26Å; P39-Q56 WeakPolarHBondContact CB-O 3.3Å | ||
| 40 | S | 95.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 135.1 | 160.6 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | W9 S55 Q56 | W9-S40 CarbonylContact O-C 3.53Å; W9-S40 WeakPolarHBondContact O-CA 3.41Å; S40-S55 WeakPolarHBondContact O-CA 3.22Å; S40-Q56 PolarHBondContact N-O 2.83Å; S40-Q56 PolarHBondContact O-N 2.93Å |
| 41 | L | 97.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114.5 | 172.6 | -179.3 | 70 | 0 | 0 | 0 | 108.3 | W9 I43 L53 K54 L116 Y131 | W9-L41 HydrophobicContact CB-CB 4.22Å; W9-L41 WeakPolarHBondContact CB-O 3.36Å; W9-L41 PolarHBondContact N-O 3.26Å; W9-L41 PolarHBondContact O-N 2.82Å; L41-I43 HydrophobicContact CD2-CD1 4.05Å; L41-I43 HydrophobicContact CG-CD1 4.23Å; L41-I43 HydrophobicContact CG-CG1 4.17Å; L41-L53 HydrophobicContact CD1-CD1 4.17Å; L41-L53 HydrophobicContact CD1-CD2 3.57Å; L41-L53 HydrophobicContact CD1-CG 3.75Å; L41-K54 CarbonylContact C-O 3.56Å; L41-K54 WeakPolarHBondContact CA-O 3.33Å; L41-L116 HydrophobicContact CD2-CD1 4.23Å; L41-L116 HydrophobicContact CD2-CD2 4.25Å; L41-Y131 HydrophobicContact CB-CD1 4.19Å; L41-Y131 HydrophobicContact CB-CE1 3.92Å |
| 42 | I | 97.9 | Very high | 94 | Very high | 28 Ų | 28 | 64 Ų | 64 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.3 | -179.2 | -56 | 157.8 | 0 | 0 | 0 | 107.2 | T8 K54 Q56 | T8-I42 HydrophobicContact CG2-CG1 3.9Å; I42-K54 HydrophobicContact CB-CB 4.25Å; I42-K54 HydrophobicContact CD1-CD 4.24Å; I42-K54 PolarHBondContact N-O 2.79Å; I42-K54 PolarHBondContact O-N 2.92Å; I42-Q56 HydrophobicContact CD1-CB 4.39Å |
| 43 | I | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123 | -179.7 | -57.6 | 174.4 | 0 | 0 | 0 | 108.1 | F5 V6 G7 L41 I51 C52 L53 L116 | F5-I43 HydrophobicContact CB-CD1 3.97Å; F5-I43 HydrophobicContact CB-CG2 4.43Å; F5-I43 WeakPolarHBondContact O-CB 3.34Å; V6-I43 WeakPolarHBondContact CA-O 3.45Å; G7-I43 PolarHBondContact N-O 3.06Å; G7-I43 PolarHBondContact O-N 3.19Å; L41-I43 HydrophobicContact CD2-CD1 4.05Å; L41-I43 HydrophobicContact CG-CD1 4.23Å; L41-I43 HydrophobicContact CG-CG1 4.17Å; I43-I51 HydrophobicContact CG2-CG2 4.18Å; I43-C52 WeakPolarHBondContact CA-O 3.49Å; I43-L53 HydrophobicContact CG1-CG 4.33Å; I43-L116 HydrophobicContact CD1-CD1 4.4Å |
| 44 | N | 97 | Very high | 94.4 | Very high | 80 Ų | 80 | 61.4 Ų | 61.4 | 43% | 0.428 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 155.7 | 175.6 | -59.7 | -61.1 | 0 | 0 | 0 | 109.8 | I51 C52 | N44-I51 WeakPolarHBondContact O-CA 3.3Å; N44-C52 PolarHBondContact N-O 2.96Å; N44-C52 PolarHBondContact O-N 3.36Å |
| 45 | M | 96.2 | Very high | 94.7 | Very high | 71 Ų | 71 | 62.4 Ų | 62.4 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.1 | 173.7 | -173.9 | 174.6 | 69.6 | 0 | 0 | 107.5 | V2 D3 V6 M50 I51 | V2-M45 HydrophobicContact CB-SD 4.26Å; V2-M45 HydrophobicContact CG1-SD 4.45Å; D3-M45 VanDerWaalsContact OD1-CE 3.25Å; D3-M45 WeakPolarHBondContact OD1-CE 3.46Å; V6-M45 HydrophobicContact CG2-CB 4.2Å; M45-M50 WeakPolarHBondContact CA-O 3.4Å; M45-I51 HydrophobicContact CG-CG1 4.24Å; M45-I51 HydrophobicContact SD-CG1 4.49Å |
| 46 | D | 94.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | trans | -85.6 | 175.6 | 174.8 | 72.3 | 14.1 | 0 | 0 | 0 | 112.1 | Q48 G49 M50 | D46-Q48 PolarHBondContact O-N 3.46Å; D46-Q48 VanDerWaalsContact O-N 3.16Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.44Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.32Å; D46-Q48 PolarHBondContact OD1-N 3.07Å; D46-G49 PolarHBondContact O-N 2.86Å; D46-G49 PolarHBondContact OD1-N 2.84Å; D46-M50 PolarHBondContact N-O 3.23Å; D46-M50 WeakPolarHBondContact OD1-CB 2.71Å; D46-M50 PolarHBondContact OD1-N 3.05Å; D46-M50 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 47 | D | 92.3 | Very high | 94.7 | Very high | 177 Ų | 177 | 55.5 Ų | 55.5 | 95% | 0.947 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.2 | -178.5 | -59.8 | -33 | 0 | 0 | 0 | 113.4 | ||
| 48 | Q | 92.1 | Very high | 94.3 | Very high | 179 Ų | 179 | 61.9 Ų | 61.9 | 84% | 0.836 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -4.5 | 177.4 | -60.5 | -174.3 | -32.2 | 0 | 0 | 112.2 | D46 | D46-Q48 PolarHBondContact O-N 3.46Å; D46-Q48 VanDerWaalsContact O-N 3.16Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.44Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.32Å; D46-Q48 PolarHBondContact OD1-N 3.07Å |
| 49 | G | 91.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 61.8 Ų | 61.8 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | trans | 86.4 | 7.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | D46 | D46-G49 PolarHBondContact O-N 2.86Å; D46-G49 PolarHBondContact OD1-N 2.84Å | ||
| 50 | M | 96.3 | Very high | 93.2 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | trans | -69.9 | 130.2 | 172.5 | -178.2 | 82.9 | 67.4 | 0 | 0 | 108.9 | M45 D46 K65 | M45-M50 WeakPolarHBondContact CA-O 3.4Å; D46-M50 PolarHBondContact N-O 3.23Å; D46-M50 WeakPolarHBondContact OD1-CB 2.71Å; D46-M50 PolarHBondContact OD1-N 3.05Å; D46-M50 WeakPolarHBondContact OD2-CB 3.38Å; M50-K65 HydrophobicContact SD-CB 4.43Å | ||
| 51 | I | 97.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.8 | -177 | -58.1 | 155.7 | 0 | 0 | 0 | 108.9 | V2 I43 N44 M45 K65 F66 L68 | V2-I51 HydrophobicContact CB-CD1 4.39Å; V2-I51 HydrophobicContact CG1-CD1 3.86Å; V2-I51 HydrophobicContact CG1-CG1 4.09Å; V2-I51 HydrophobicContact CG2-CD1 3.85Å; I43-I51 HydrophobicContact CG2-CG2 4.18Å; N44-I51 WeakPolarHBondContact O-CA 3.3Å; M45-I51 HydrophobicContact CG-CG1 4.24Å; M45-I51 HydrophobicContact SD-CG1 4.49Å; I51-K65 CarbonylContact O-C 3.53Å; I51-K65 VanDerWaalsContact O-CA 3.28Å; I51-K65 WeakPolarHBondContact O-CA 3.41Å; I51-F66 HydrophobicContact CB-CD2 4.18Å; I51-F66 HydrophobicContact CB-CE1 4.23Å; I51-F66 HydrophobicContact CB-CE2 3.72Å; I51-F66 HydrophobicContact CB-CZ 3.76Å; I51-F66 HydrophobicContact CD1-CD2 4.28Å; I51-F66 HydrophobicContact CD1-CE2 3.65Å; I51-F66 HydrophobicContact CD1-CZ 4.32Å; I51-F66 HydrophobicContact CG1-CE2 4.31Å; I51-F66 HydrophobicContact CG2-CE1 3.91Å; I51-F66 HydrophobicContact CG2-CE2 3.87Å; I51-F66 HydrophobicContact CG2-CZ 3.4Å; I51-F66 VanDerWaalsContact CG2-CZ 3.4Å; I51-F66 PolarHBondContact N-O 2.81Å; I51-F66 PolarHBondContact O-N 3.02Å; I51-L68 HydrophobicContact CD1-CD1 4.39Å; I51-L68 HydrophobicContact CD1-CD2 3.86Å; I51-L68 HydrophobicContact CD1-CG 3.75Å |
| 52 | C | 97.7 | Very high | 92.7 | Very high | 22 Ų | 22 | 68 Ų | 68 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.3 | 171 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | I43 N44 V64 K65 | I43-C52 WeakPolarHBondContact CA-O 3.49Å; N44-C52 PolarHBondContact N-O 2.96Å; N44-C52 PolarHBondContact O-N 3.36Å; C52-V64 WeakPolarHBondContact CA-O 3.45Å; C52-K65 HydrophobicContact CB-CG 4.16Å |
| 53 | L | 97.5 | Very high | 92.6 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.7 | 173.8 | -176.2 | 157.3 | 0 | 0 | 0 | 109.1 | L41 I43 E63 V64 F66 F86 | L41-L53 HydrophobicContact CD1-CD1 4.17Å; L41-L53 HydrophobicContact CD1-CD2 3.57Å; L41-L53 HydrophobicContact CD1-CG 3.75Å; I43-L53 HydrophobicContact CG1-CG 4.33Å; L53-E63 WeakPolarHBondContact O-CA 3.46Å; L53-V64 HydrophobicContact CB-CG2 3.96Å; L53-V64 HydrophobicContact CD2-CG2 4.36Å; L53-V64 PolarHBondContact N-O 2.96Å; L53-V64 PolarHBondContact O-N 2.89Å; L53-F66 HydrophobicContact CB-CE1 3.89Å; L53-F86 HydrophobicContact CD1-CE1 4.02Å; L53-F86 HydrophobicContact CD1-CZ 4.33Å |
| 54 | K | 96.6 | Very high | 92.5 | Very high | 56 Ų | 56 | 71.8 Ų | 71.8 | 24% | 0.243 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.9 | -178.7 | -179.9 | 176.3 | -168.7 | 163.8 | 0 | 110.8 | L41 I42 T61 V62 E63 | L41-K54 CarbonylContact C-O 3.56Å; L41-K54 WeakPolarHBondContact CA-O 3.33Å; I42-K54 HydrophobicContact CB-CB 4.25Å; I42-K54 HydrophobicContact CD1-CD 4.24Å; I42-K54 PolarHBondContact N-O 2.79Å; I42-K54 PolarHBondContact O-N 2.92Å; K54-T61 HydrophobicContact CD-CG2 4.28Å; K54-T61 HydrophobicContact CG-CG2 4Å; K54-V62 CarbonylContact C-O 3.59Å; K54-V62 WeakPolarHBondContact CA-O 3.21Å; K54-E63 HydrophobicContact CB-CG 4.37Å; K54-E63 HydrophobicContact CG-CB 4.46Å; K54-E63 IonicContact NZ-OE2 2.98Å |
| 55 | S | 94.8 | Very high | 92.5 | Very high | 40 Ų | 40 | 74.2 Ų | 74.2 | 28% | 0.28 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 109.6 | 170.9 | 175.7 | 0 | 0 | 0 | 0 | 108.8 | S40 T61 V62 | S40-S55 WeakPolarHBondContact O-CA 3.22Å; S55-T61 WeakPolarHBondContact O-CA 3.39Å; S55-V62 PolarHBondContact N-O 2.84Å; S55-V62 PolarHBondContact O-N 2.75Å |
| 56 | Q | 93.7 | Very high | 92.6 | Very high | 83 Ų | 83 | 71 Ų | 71 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.6 | -174.9 | -178.8 | 176.6 | 59.8 | 0 | 0 | 111.1 | P39 S40 I42 T61 | P39-Q56 CarbonylContact C-O 3.46Å; P39-Q56 WeakPolarHBondContact CA-O 3.26Å; P39-Q56 WeakPolarHBondContact CB-O 3.3Å; S40-Q56 PolarHBondContact N-O 2.83Å; S40-Q56 PolarHBondContact O-N 2.93Å; I42-Q56 HydrophobicContact CD1-CB 4.39Å; Q56-T61 HydrophobicContact CB-CG2 4.35Å |
| 57 | S | 88.2 | Confident | 92.7 | Very high | 28 Ų | 28 | 70 Ų | 70 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | trans | -136.7 | 174.2 | 170.7 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | F59 K60 | S57-F59 PolarHBondContact O-N 3.44Å; S57-F59 PolarHBondContact OG-N 3.28Å; S57-K60 PolarHBondContact N-O 3.29Å; S57-K60 VanDerWaalsContact N-O 3.09Å; S57-K60 PolarHBondContact OG-N 2.84Å; S57-K60 PolarHBondContact OG-O 2.96Å | ||
| 58 | T | 82.4 | Confident | 92.9 | Very high | 156 Ų | 156 | 63.8 Ų | 63.8 | 96% | 0.957 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -63.7 | -20.5 | 170.6 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 59 | F | 76.6 | Confident | 93.2 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 65% | 0.645 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -95 | -53.2 | -175.8 | -177.1 | -103.6 | 0 | 0 | 0 | 113 | V33 S57 | V33-F59 HydrophobicContact CG1-CD1 4.07Å; V33-F59 HydrophobicContact CG1-CD2 4.08Å; V33-F59 HydrophobicContact CG1-CE1 4.24Å; V33-F59 HydrophobicContact CG1-CE2 4.24Å; V33-F59 HydrophobicContact CG1-CG 3.99Å; V33-F59 HydrophobicContact CG1-CZ 4.32Å; S57-F59 PolarHBondContact O-N 3.44Å; S57-F59 PolarHBondContact OG-N 3.28Å |
| 60 | K | 82.5 | Confident | 93.5 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 34% | 0.339 | 33% | 0.329 | S | S | . | . | trans | -142.7 | 145.5 | -177.8 | -168.2 | 170.7 | -179.2 | 176 | 0 | 109.4 | S57 V62 A77 D79 | S57-K60 PolarHBondContact N-O 3.29Å; S57-K60 VanDerWaalsContact N-O 3.09Å; S57-K60 PolarHBondContact OG-N 2.84Å; S57-K60 PolarHBondContact OG-O 2.96Å; K60-V62 HydrophobicContact CD-CG2 4.2Å; K60-V62 HydrophobicContact CG-CG2 4.06Å; K60-A77 PolarHBondContact NZ-O 3.26Å; K60-D79 IonicContact NZ-OD1 3.91Å; K60-D79 PolarHBondContact NZ-OD1 2.6Å | ||
| 61 | T | 90.5 | Very high | 93.6 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.8 | 167.2 | -62.7 | 0 | 0 | 0 | 0 | 107.9 | K54 S55 Q56 | K54-T61 HydrophobicContact CD-CG2 4.28Å; K54-T61 HydrophobicContact CG-CG2 4Å; S55-T61 WeakPolarHBondContact O-CA 3.39Å; Q56-T61 HydrophobicContact CB-CG2 4.35Å |
| 62 | V | 92.5 | Very high | 93.6 | Very high | 29 Ų | 29 | 67.2 Ų | 67.2 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.7 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | K54 S55 K60 A77 | K54-V62 CarbonylContact C-O 3.59Å; K54-V62 WeakPolarHBondContact CA-O 3.21Å; S55-V62 PolarHBondContact N-O 2.84Å; S55-V62 PolarHBondContact O-N 2.75Å; K60-V62 HydrophobicContact CD-CG2 4.2Å; K60-V62 HydrophobicContact CG-CG2 4.06Å; V62-A77 HydrophobicContact CG2-CB 3.79Å |
| 63 | E | 95.3 | Very high | 93.6 | Very high | 93 Ų | 93 | 74.5 Ų | 74.5 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.1 | -178 | -175.7 | 175.5 | 120.2 | 0 | 0 | 109.4 | L53 K54 K65 | L53-E63 WeakPolarHBondContact O-CA 3.46Å; K54-E63 HydrophobicContact CB-CG 4.37Å; K54-E63 HydrophobicContact CG-CB 4.46Å; K54-E63 IonicContact NZ-OE2 2.98Å; E63-K65 VanDerWaalsContact OE1-CE 3.32Å; E63-K65 WeakPolarHBondContact OE1-CE 3.28Å |
| 64 | V | 96.5 | Very high | 93.6 | Very high | 14 Ų | 14 | 74.6 Ų | 74.6 | 9% | 0.085 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.8 | 172.5 | -62.5 | 0 | 0 | 0 | 0 | 109.4 | C52 L53 F66 F72 E74 F86 | C52-V64 WeakPolarHBondContact CA-O 3.45Å; L53-V64 HydrophobicContact CB-CG2 3.96Å; L53-V64 HydrophobicContact CD2-CG2 4.36Å; L53-V64 PolarHBondContact N-O 2.96Å; L53-V64 PolarHBondContact O-N 2.89Å; V64-F66 HydrophobicContact CG2-CD1 4.05Å; V64-F66 HydrophobicContact CG2-CE1 4.18Å; V64-F72 HydrophobicContact CB-CE2 4.3Å; V64-F72 HydrophobicContact CB-CZ 4.32Å; V64-F72 HydrophobicContact CG1-CE2 4.45Å; V64-E74 HydrophobicContact CG1-CG 3.95Å; V64-F86 HydrophobicContact CG2-CE2 4.4Å; V64-F86 HydrophobicContact CG2-CZ 4.3Å |
| 65 | K | 97.3 | Very high | 93.5 | Very high | 130 Ų | 130 | 76 Ų | 76 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.5 | 173.5 | -64.5 | -178.9 | -176.8 | 179.7 | 0 | 108.7 | M50 I51 C52 E63 | M50-K65 HydrophobicContact SD-CB 4.43Å; I51-K65 CarbonylContact O-C 3.53Å; I51-K65 VanDerWaalsContact O-CA 3.28Å; I51-K65 WeakPolarHBondContact O-CA 3.41Å; C52-K65 HydrophobicContact CB-CG 4.16Å; E63-K65 VanDerWaalsContact OE1-CE 3.32Å; E63-K65 WeakPolarHBondContact OE1-CE 3.28Å |
| 66 | F | 97.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 74.4 Ų | 74.4 | 2% | 0.022 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 154.2 | -173 | 60.8 | -90.2 | 0 | 0 | 0 | 111.9 | I51 L53 V64 L68 F72 F86 | I51-F66 HydrophobicContact CB-CD2 4.18Å; I51-F66 HydrophobicContact CB-CE1 4.23Å; I51-F66 HydrophobicContact CB-CE2 3.72Å; I51-F66 HydrophobicContact CB-CZ 3.76Å; I51-F66 HydrophobicContact CD1-CD2 4.28Å; I51-F66 HydrophobicContact CD1-CE2 3.65Å; I51-F66 HydrophobicContact CD1-CZ 4.32Å; I51-F66 HydrophobicContact CG1-CE2 4.31Å; I51-F66 HydrophobicContact CG2-CE1 3.91Å; I51-F66 HydrophobicContact CG2-CE2 3.87Å; I51-F66 HydrophobicContact CG2-CZ 3.4Å; I51-F66 VanDerWaalsContact CG2-CZ 3.4Å; I51-F66 PolarHBondContact N-O 2.81Å; I51-F66 PolarHBondContact O-N 3.02Å; L53-F66 HydrophobicContact CB-CE1 3.89Å; V64-F66 HydrophobicContact CG2-CD1 4.05Å; V64-F66 HydrophobicContact CG2-CE1 4.18Å; F66-L68 HydrophobicContact CE2-CD2 4.22Å; F66-F72 HydrophobicContact CB-CD1 4.02Å; F66-F72 HydrophobicContact CB-CE1 3.62Å; F66-F72 HydrophobicContact CB-CZ 4.09Å; F66-F72 HydrophobicContact CG-CE1 4.34Å; F66-F86 HydrophobicContact CB-CD2 4.35Å; F66-F86 AromaticContact CD1-CD2 3.73Å; F66-F86 HydrophobicContact CD1-CD2 3.73Å; F66-F86 AromaticContact CD1-CE2 3.71Å; F66-F86 HydrophobicContact CD1-CE2 3.71Å; F66-F86 HydrophobicContact CD1-CG 4.23Å; F66-F86 HydrophobicContact CD1-CZ 4.16Å; F66-F86 HydrophobicContact CD2-CB 3.48Å; F66-F86 VanDerWaalsContact CD2-CB 3.48Å; F66-F86 HydrophobicContact CD2-CD1 4.39Å; F66-F86 AromaticContact CD2-CD2 3.69Å; F66-F86 HydrophobicContact CD2-CD2 3.69Å; F66-F86 HydrophobicContact CD2-CE2 4.48Å; F66-F86 AromaticContact CD2-CG 3.62Å; F66-F86 HydrophobicContact CD2-CG 3.62Å; F66-F86 HydrophobicContact CE1-CD1 4.01Å; F66-F86 AromaticContact CE1-CD2 3.86Å; F66-F86 HydrophobicContact CE1-CD2 3.86Å; F66-F86 AromaticContact CE1-CE1 3.86Å; F66-F86 HydrophobicContact CE1-CE1 3.86Å; F66-F86 AromaticContact CE1-CE2 3.74Å; F66-F86 HydrophobicContact CE1-CE2 3.74Å; F66-F86 AromaticContact CE1-CG 3.98Å; F66-F86 HydrophobicContact CE1-CG 3.98Å; F66-F86 AromaticContact CE1-CZ 3.71Å; F66-F86 HydrophobicContact CE1-CZ 3.71Å; F66-F86 HydrophobicContact CE2-CB 3.31Å; F66-F86 AromaticContact CE2-CD1 3.68Å; F66-F86 HydrophobicContact CE2-CD1 3.68Å; F66-F86 AromaticContact CE2-CD2 3.82Å; F66-F86 HydrophobicContact CE2-CD2 3.82Å; F66-F86 HydrophobicContact CE2-CE1 4.36Å; F66-F86 AromaticContact CE2-CG 3.33Å; F66-F86 HydrophobicContact CE2-CG 3.33Å; F66-F86 HydrophobicContact CG-CB 4.31Å; F66-F86 AromaticContact CG-CD2 3.64Å; F66-F86 HydrophobicContact CG-CD2 3.64Å; F66-F86 HydrophobicContact CG-CE2 4.1Å; F66-F86 HydrophobicContact CG-CG 4.06Å; F66-F86 HydrophobicContact CZ-CB 4.03Å; F66-F86 AromaticContact CZ-CD1 3.45Å; F66-F86 HydrophobicContact CZ-CD1 3.45Å; F66-F86 VanDerWaalsContact CZ-CD1 3.45Å; F66-F86 AromaticContact CZ-CD2 3.89Å; F66-F86 HydrophobicContact CZ-CD2 3.89Å; F66-F86 AromaticContact CZ-CE1 3.7Å; F66-F86 HydrophobicContact CZ-CE1 3.7Å; F66-F86 HydrophobicContact CZ-CE2 4.15Å; F66-F86 AromaticContact CZ-CG 3.53Å; F66-F86 HydrophobicContact CZ-CG 3.53Å; F66-F86 HydrophobicContact CZ-CZ 4.03Å |
| 67 | N | 97.3 | Very high | 93.2 | Very high | 50 Ų | 50 | 73.1 Ų | 73.1 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | trans | -95.1 | 152.3 | 161.1 | -64.6 | -42.1 | 0 | 0 | 0 | 109.4 | E70 | N67-E70 HydrophobicContact CB-CB 4.2Å; N67-E70 HydrophobicContact CB-CG 4.08Å; N67-E70 VanDerWaalsContact CB-OE2 3.32Å; N67-E70 WeakPolarHBondContact CB-OE2 3.43Å; N67-E70 PolarHBondContact ND2-OE2 3.07Å | ||
| 68 | L | 97.1 | Very high | 93.3 | Very high | 47 Ų | 47 | 73.9 Ų | 73.9 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 140.5 | 174 | -68.5 | 178.7 | 0 | 0 | 0 | 111 | V2 I51 F66 E70 F86 L88 L93 | V2-L68 HydrophobicContact CG2-CD1 3.62Å; V2-L68 HydrophobicContact CG2-CG 4.37Å; I51-L68 HydrophobicContact CD1-CD1 4.39Å; I51-L68 HydrophobicContact CD1-CD2 3.86Å; I51-L68 HydrophobicContact CD1-CG 3.75Å; F66-L68 HydrophobicContact CE2-CD2 4.22Å; L68-E70 PolarHBondContact O-N 2.96Å; L68-F86 CarbonylContact C-O 3.59Å; L68-F86 WeakPolarHBondContact CA-O 3.32Å; L68-F86 HydrophobicContact CD2-CB 4.13Å; L68-L88 HydrophobicContact CD1-CB 4.46Å; L68-L88 HydrophobicContact CD1-CD1 3.79Å; L68-L88 HydrophobicContact CD1-CG 3.82Å; L68-L93 HydrophobicContact CD2-CD1 3.9Å |
| 69 | N | 97.7 | Very high | 93.8 | Very high | 112 Ų | 112 | 72 Ų | 72 | 60% | 0.599 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 12.1 | 177.7 | -44.9 | -62.2 | 0 | 0 | 0 | 114.9 | F86 S87 | N69-F86 PolarHBondContact N-O 3.05Å; N69-S87 WeakPolarHBondContact OD1-CB 3.09Å |
| 70 | E | 98.1 | Very high | 94.6 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | trans | -106.7 | 116.6 | 174.4 | -67.3 | -176.6 | -176.6 | 0 | 0 | 109.8 | N67 L68 | N67-E70 HydrophobicContact CB-CB 4.2Å; N67-E70 HydrophobicContact CB-CG 4.08Å; N67-E70 VanDerWaalsContact CB-OE2 3.32Å; N67-E70 WeakPolarHBondContact CB-OE2 3.43Å; N67-E70 PolarHBondContact ND2-OE2 3.07Å; L68-E70 PolarHBondContact O-N 2.96Å | ||
| 71 | P | 98.1 | Very high | 95.2 | Very high | 88 Ų | 88 | 71.1 Ų | 71.1 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | trans | -66.9 | 142 | 174.2 | -20.5 | 33 | 0 | 0 | 0 | 112.1 | M83 T84 | P71-M83 HydrophobicContact CB-CG 4.19Å; P71-M83 HydrophobicContact CB-SD 3.85Å; P71-T84 CarbonylContact C-O 3.57Å; P71-T84 VanDerWaalsContact CA-O 3.3Å; P71-T84 WeakPolarHBondContact CA-O 3.45Å | ||
| 72 | F | 98.1 | Very high | 95.6 | Very high | 44 Ų | 44 | 68.1 Ų | 68.1 | 19% | 0.193 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 161.5 | 175.8 | 70.4 | -77.2 | 0 | 0 | 0 | 111.6 | V64 F66 E74 T84 F86 | V64-F72 HydrophobicContact CB-CE2 4.3Å; V64-F72 HydrophobicContact CB-CZ 4.32Å; V64-F72 HydrophobicContact CG1-CE2 4.45Å; F66-F72 HydrophobicContact CB-CD1 4.02Å; F66-F72 HydrophobicContact CB-CE1 3.62Å; F66-F72 HydrophobicContact CB-CZ 4.09Å; F66-F72 HydrophobicContact CG-CE1 4.34Å; F72-E74 HydrophobicContact CD2-CB 4.47Å; F72-E74 HydrophobicContact CE2-CB 3.84Å; F72-E74 HydrophobicContact CE2-CG 4.47Å; F72-E74 HydrophobicContact CZ-CB 4.33Å; F72-T84 VanDerWaalsContact CD1-O 3.26Å; F72-T84 WeakPolarHBondContact CD1-O 3.47Å; F72-T84 HydrophobicContact CE1-CG2 3.81Å; F72-T84 HydrophobicContact CZ-CG2 3.9Å; F72-T84 PolarHBondContact N-O 3.4Å; F72-T84 PolarHBondContact O-N 3.08Å; F72-F86 AromaticContact CE1-CD2 3.89Å; F72-F86 HydrophobicContact CE1-CD2 3.89Å; F72-F86 HydrophobicContact CE1-CE2 4.03Å; F72-F86 HydrophobicContact CZ-CD2 4.29Å; F72-F86 AromaticContact CZ-CE2 3.95Å; F72-F86 HydrophobicContact CZ-CE2 3.95Å |
| 73 | E | 97.8 | Very high | 95.9 | Very high | 175 Ų | 175 | 71.3 Ų | 71.3 | 82% | 0.818 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.8 | 172.9 | -64.1 | -170.5 | 164.6 | 0 | 0 | 110.6 | ||
| 74 | E | 96.6 | Very high | 96 | Very high | 16 Ų | 16 | 66.9 Ų | 66.9 | 8% | 0.075 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.1 | 175.2 | 178.6 | -176.5 | -170.8 | 0 | 0 | 109.4 | V64 F72 T76 T82 T84 Q95 Q97 | V64-E74 HydrophobicContact CG1-CG 3.95Å; F72-E74 HydrophobicContact CD2-CB 4.47Å; F72-E74 HydrophobicContact CE2-CB 3.84Å; F72-E74 HydrophobicContact CE2-CG 4.47Å; F72-E74 HydrophobicContact CZ-CB 4.33Å; E74-T76 HydrophobicContact CG-CG2 4.25Å; E74-T82 PolarHBondContact N-O 2.93Å; E74-T82 PolarHBondContact O-N 2.81Å; E74-T82 PolarHBondContact O-OG1 2.79Å; E74-T84 WeakPolarHBondContact CB-OG1 3.4Å; E74-T84 VanDerWaalsContact OE2-CB 3.27Å; E74-T84 WeakPolarHBondContact OE2-CB 3.33Å; E74-T84 WeakPolarHBondContact OE2-CG2 3.39Å; E74-T84 PolarHBondContact OE2-OG1 3.42Å; E74-Q95 PolarHBondContact OE1-NE2 3.01Å; E74-Q95 PolarHBondContact OE2-NE2 3.41Å; E74-Q97 VanDerWaalsContact CD-NE2 3.28Å; E74-Q97 PolarHBondContact OE1-NE2 3.39Å; E74-Q97 PolarHBondContact OE2-NE2 2.74Å |
| 75 | T | 94.9 | Very high | 96.1 | Very high | 87 Ų | 87 | 68.1 Ų | 68.1 | 53% | 0.534 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 112.4 | 161.1 | -60.4 | 0 | 0 | 0 | 0 | 107.9 | R80 | T75-R80 WeakPolarHBondContact CA-O 3.41Å |
| 76 | T | 93.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | trans | -75 | 169 | -173 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | E74 D78 D79 R80 T82 | E74-T76 HydrophobicContact CG-CG2 4.25Å; T76-D78 VanDerWaalsContact CB-OD1 3.25Å; T76-D78 WeakPolarHBondContact CB-OD1 3.25Å; T76-D78 PolarHBondContact O-N 3.39Å; T76-D78 VanDerWaalsContact O-N 3.17Å; T76-D78 PolarHBondContact OG1-OD1 2.79Å; T76-D79 PolarHBondContact O-N 2.84Å; T76-R80 HydrophobicContact CG2-CB 4.38Å; T76-R80 PolarHBondContact N-O 2.89Å; T76-R80 WeakPolarHBondContact OG1-CB 3.39Å; T76-R80 PolarHBondContact OG1-N 2.91Å; T76-R80 VanDerWaalsContact OG1-N 3.1Å; T76-R80 PolarHBondContact OG1-O 2.79Å; T76-T82 HydrophobicContact CG2-CG2 3.87Å | ||
| 77 | A | 89.6 | Confident | 96.2 | Very high | 57 Ų | 57 | 62 Ų | 62 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | K60 V62 | K60-A77 PolarHBondContact NZ-O 3.26Å; V62-A77 HydrophobicContact CG2-CB 3.79Å |
| 78 | D | 90.8 | Very high | 96.2 | Very high | 44 Ų | 44 | 62.5 Ų | 62.5 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 19.6 | 175.3 | 61.7 | -41.1 | 0 | 0 | 0 | 113.3 | V26 T76 R80 | V26-D78 HydrophobicContact CG2-CB 3.83Å; V26-D78 VanDerWaalsContact CG2-OD2 3.32Å; V26-D78 WeakPolarHBondContact CG2-OD2 3.41Å; T76-D78 VanDerWaalsContact CB-OD1 3.25Å; T76-D78 WeakPolarHBondContact CB-OD1 3.25Å; T76-D78 PolarHBondContact O-N 3.39Å; T76-D78 VanDerWaalsContact O-N 3.17Å; T76-D78 PolarHBondContact OG1-OD1 2.79Å; D78-R80 VanDerWaalsContact C-N 3.27Å; D78-R80 PolarHBondContact O-N 3.26Å; D78-R80 IonicContact OD1-CZ 2.74Å; D78-R80 IonicContact OD1-NE 2.6Å; D78-R80 PolarHBondContact OD1-NE 2.9Å; D78-R80 IonicContact OD1-NH2 2.99Å; D78-R80 PolarHBondContact OD1-NH2 2.59Å; D78-R80 IonicContact OD2-CZ 2.71Å; D78-R80 IonicContact OD2-NE 3.82Å; D78-R80 PolarHBondContact OD2-NE 2.99Å; D78-R80 IonicContact OD2-NH2 3.48Å; D78-R80 PolarHBondContact OD2-NH2 3.41Å |
| 79 | D | 91.2 | Very high | 96.1 | Very high | 116 Ų | 116 | 63.8 Ų | 63.8 | 62% | 0.62 | 33% | 0.332 | S | S | * | . | trans | 64.3 | 21 | 170.7 | -51.1 | -41.1 | 0 | 0 | 0 | 115.3 | K60 T76 | K60-D79 IonicContact NZ-OD1 3.91Å; K60-D79 PolarHBondContact NZ-OD1 2.6Å; T76-D79 PolarHBondContact O-N 2.84Å | ||
| 80 | R | 94.1 | Very high | 95.8 | Very high | 30 Ų | 30 | 66 Ų | 66 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | trans | -74.9 | 138.5 | 167.1 | -64.6 | 178.4 | -75.4 | 116.9 | 14.6 | 109.4 | T75 T76 D78 T82 W99 | T75-R80 WeakPolarHBondContact CA-O 3.41Å; T76-R80 HydrophobicContact CG2-CB 4.38Å; T76-R80 PolarHBondContact N-O 2.89Å; T76-R80 WeakPolarHBondContact OG1-CB 3.39Å; T76-R80 PolarHBondContact OG1-N 2.91Å; T76-R80 VanDerWaalsContact OG1-N 3.1Å; T76-R80 PolarHBondContact OG1-O 2.79Å; D78-R80 VanDerWaalsContact C-N 3.27Å; D78-R80 PolarHBondContact O-N 3.26Å; D78-R80 IonicContact OD1-CZ 2.74Å; D78-R80 IonicContact OD1-NE 2.6Å; D78-R80 PolarHBondContact OD1-NE 2.9Å; D78-R80 IonicContact OD1-NH2 2.99Å; D78-R80 PolarHBondContact OD1-NH2 2.59Å; D78-R80 IonicContact OD2-CZ 2.71Å; D78-R80 IonicContact OD2-NE 3.82Å; D78-R80 PolarHBondContact OD2-NE 2.99Å; D78-R80 IonicContact OD2-NH2 3.48Å; D78-R80 PolarHBondContact OD2-NH2 3.41Å; R80-T82 HydrophobicContact CB-CG2 4.03Å; R80-W99 VanDerWaalsContact NH1-CH2 3.27Å | ||
| 81 | K | 96.2 | Very high | 95.5 | Very high | 177 Ų | 177 | 65.1 Ų | 65.1 | 77% | 0.77 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116.1 | 166.8 | -64.7 | -173.6 | 178.7 | -172.2 | 0 | 108.5 | W99 | K81-W99 WeakPolarHBondContact O-CB 3.34Å |
| 82 | T | 97.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 148 | -174.2 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | E74 T76 R80 T84 Q97 K98 W99 | E74-T82 PolarHBondContact N-O 2.93Å; E74-T82 PolarHBondContact O-N 2.81Å; E74-T82 PolarHBondContact O-OG1 2.79Å; T76-T82 HydrophobicContact CG2-CG2 3.87Å; R80-T82 HydrophobicContact CB-CG2 4.03Å; T82-T84 PolarHBondContact OG1-OG1 3.22Å; T82-Q97 HydrophobicContact CG2-CB 4.08Å; T82-K98 CarbonylContact C-O 3.58Å; T82-K98 VanDerWaalsContact CA-O 3.28Å; T82-K98 WeakPolarHBondContact CA-O 3.46Å; T82-W99 HydrophobicContact CG2-CB 4.05Å; T82-W99 HydrophobicContact CG2-CD2 4.21Å; T82-W99 HydrophobicContact CG2-CE3 3.91Å; T82-W99 HydrophobicContact CG2-CG 4.28Å |
| 83 | M | 98.4 | Very high | 95.5 | Very high | 95 Ų | 95 | 61 Ų | 61 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 115.4 | 157.6 | -172.7 | 65.1 | 69.7 | 0 | 0 | 107.6 | P71 K98 | P71-M83 HydrophobicContact CB-CG 4.19Å; P71-M83 HydrophobicContact CB-SD 3.85Å; M83-K98 PolarHBondContact N-O 3.1Å; M83-K98 PolarHBondContact O-N 2.55Å |
| 84 | T | 98.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.8 | -174.2 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | P71 F72 E74 T82 F86 Q95 K96 Q97 | P71-T84 CarbonylContact C-O 3.57Å; P71-T84 VanDerWaalsContact CA-O 3.3Å; P71-T84 WeakPolarHBondContact CA-O 3.45Å; F72-T84 VanDerWaalsContact CD1-O 3.26Å; F72-T84 WeakPolarHBondContact CD1-O 3.47Å; F72-T84 HydrophobicContact CE1-CG2 3.81Å; F72-T84 HydrophobicContact CZ-CG2 3.9Å; F72-T84 PolarHBondContact N-O 3.4Å; F72-T84 PolarHBondContact O-N 3.08Å; E74-T84 WeakPolarHBondContact CB-OG1 3.4Å; E74-T84 VanDerWaalsContact OE2-CB 3.27Å; E74-T84 WeakPolarHBondContact OE2-CB 3.33Å; E74-T84 WeakPolarHBondContact OE2-CG2 3.39Å; E74-T84 PolarHBondContact OE2-OG1 3.42Å; T82-T84 PolarHBondContact OG1-OG1 3.22Å; T84-F86 HydrophobicContact CG2-CD2 4.01Å; T84-F86 HydrophobicContact CG2-CE2 3.75Å; T84-Q95 HydrophobicContact CG2-CG 3.86Å; T84-K96 VanDerWaalsContact CA-O 3.3Å; T84-K96 WeakPolarHBondContact CA-O 3.43Å; T84-Q97 HydrophobicContact CG2-CG 4.19Å |
| 85 | V | 98.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.9 | 169.1 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | Q95 K96 | V85-Q95 WeakPolarHBondContact O-CA 3.28Å; V85-K96 HydrophobicContact CG1-CB 4.02Å; V85-K96 PolarHBondContact N-O 3Å; V85-K96 PolarHBondContact O-N 3Å |
| 86 | F | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.7 | 169.5 | -75.6 | -102.9 | 0 | 0 | 0 | 110.2 | L53 V64 F66 L68 N69 F72 T84 L93 V94 Q95 | L53-F86 HydrophobicContact CD1-CE1 4.02Å; L53-F86 HydrophobicContact CD1-CZ 4.33Å; V64-F86 HydrophobicContact CG2-CE2 4.4Å; V64-F86 HydrophobicContact CG2-CZ 4.3Å; F66-F86 HydrophobicContact CB-CD2 4.35Å; F66-F86 AromaticContact CD1-CD2 3.73Å; F66-F86 HydrophobicContact CD1-CD2 3.73Å; F66-F86 AromaticContact CD1-CE2 3.71Å; F66-F86 HydrophobicContact CD1-CE2 3.71Å; F66-F86 HydrophobicContact CD1-CG 4.23Å; F66-F86 HydrophobicContact CD1-CZ 4.16Å; F66-F86 HydrophobicContact CD2-CB 3.48Å; F66-F86 VanDerWaalsContact CD2-CB 3.48Å; F66-F86 HydrophobicContact CD2-CD1 4.39Å; F66-F86 AromaticContact CD2-CD2 3.69Å; F66-F86 HydrophobicContact CD2-CD2 3.69Å; F66-F86 HydrophobicContact CD2-CE2 4.48Å; F66-F86 AromaticContact CD2-CG 3.62Å; F66-F86 HydrophobicContact CD2-CG 3.62Å; F66-F86 HydrophobicContact CE1-CD1 4.01Å; F66-F86 AromaticContact CE1-CD2 3.86Å; F66-F86 HydrophobicContact CE1-CD2 3.86Å; F66-F86 AromaticContact CE1-CE1 3.86Å; F66-F86 HydrophobicContact CE1-CE1 3.86Å; F66-F86 AromaticContact CE1-CE2 3.74Å; F66-F86 HydrophobicContact CE1-CE2 3.74Å; F66-F86 AromaticContact CE1-CG 3.98Å; F66-F86 HydrophobicContact CE1-CG 3.98Å; F66-F86 AromaticContact CE1-CZ 3.71Å; F66-F86 HydrophobicContact CE1-CZ 3.71Å; F66-F86 HydrophobicContact CE2-CB 3.31Å; F66-F86 AromaticContact CE2-CD1 3.68Å; F66-F86 HydrophobicContact CE2-CD1 3.68Å; F66-F86 AromaticContact CE2-CD2 3.82Å; F66-F86 HydrophobicContact CE2-CD2 3.82Å; F66-F86 HydrophobicContact CE2-CE1 4.36Å; F66-F86 AromaticContact CE2-CG 3.33Å; F66-F86 HydrophobicContact CE2-CG 3.33Å; F66-F86 HydrophobicContact CG-CB 4.31Å; F66-F86 AromaticContact CG-CD2 3.64Å; F66-F86 HydrophobicContact CG-CD2 3.64Å; F66-F86 HydrophobicContact CG-CE2 4.1Å; F66-F86 HydrophobicContact CG-CG 4.06Å; F66-F86 HydrophobicContact CZ-CB 4.03Å; F66-F86 AromaticContact CZ-CD1 3.45Å; F66-F86 HydrophobicContact CZ-CD1 3.45Å; F66-F86 VanDerWaalsContact CZ-CD1 3.45Å; F66-F86 AromaticContact CZ-CD2 3.89Å; F66-F86 HydrophobicContact CZ-CD2 3.89Å; F66-F86 AromaticContact CZ-CE1 3.7Å; F66-F86 HydrophobicContact CZ-CE1 3.7Å; F66-F86 HydrophobicContact CZ-CE2 4.15Å; F66-F86 AromaticContact CZ-CG 3.53Å; F66-F86 HydrophobicContact CZ-CG 3.53Å; F66-F86 HydrophobicContact CZ-CZ 4.03Å; L68-F86 CarbonylContact C-O 3.59Å; L68-F86 WeakPolarHBondContact CA-O 3.32Å; L68-F86 HydrophobicContact CD2-CB 4.13Å; N69-F86 PolarHBondContact N-O 3.05Å; F72-F86 AromaticContact CE1-CD2 3.89Å; F72-F86 HydrophobicContact CE1-CD2 3.89Å; F72-F86 HydrophobicContact CE1-CE2 4.03Å; F72-F86 HydrophobicContact CZ-CD2 4.29Å; F72-F86 AromaticContact CZ-CE2 3.95Å; F72-F86 HydrophobicContact CZ-CE2 3.95Å; T84-F86 HydrophobicContact CG2-CD2 4.01Å; T84-F86 HydrophobicContact CG2-CE2 3.75Å; F86-L93 HydrophobicContact CB-CD1 4.43Å; F86-L93 HydrophobicContact CD1-CD1 4.05Å; F86-L93 HydrophobicContact CD1-CD2 4.39Å; F86-L93 HydrophobicContact CD1-CG 4.14Å; F86-V94 CarbonylContact C-O 3.6Å; F86-V94 VanDerWaalsContact CA-O 3.22Å; F86-V94 WeakPolarHBondContact CA-O 2.94Å; F86-Q95 HydrophobicContact CD1-CB 3.76Å; F86-Q95 HydrophobicContact CD1-CG 4.15Å; F86-Q95 HydrophobicContact CD2-CG 4.23Å; F86-Q95 HydrophobicContact CE1-CB 3.53Å; F86-Q95 HydrophobicContact CE1-CG 3.66Å; F86-Q95 HydrophobicContact CE2-CB 4.41Å; F86-Q95 HydrophobicContact CE2-CG 3.72Å; F86-Q95 HydrophobicContact CG-CB 4.34Å; F86-Q95 HydrophobicContact CG-CG 4.44Å; F86-Q95 HydrophobicContact CZ-CB 3.89Å; F86-Q95 HydrophobicContact CZ-CG 3.43Å; F86-Q95 VanDerWaalsContact CZ-CG 3.43Å |
| 87 | S | 98 | Very high | 96.1 | Very high | 8 Ų | 8 | 51 Ų | 51 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 159.7 | 176.9 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | N69 E89 V94 | N69-S87 WeakPolarHBondContact OD1-CB 3.09Å; S87-E89 PolarHBondContact OG-OE1 2.81Å; S87-V94 PolarHBondContact N-O 3.38Å; S87-V94 PolarHBondContact O-N 3.33Å |
| 88 | L | 96.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 31% | 0.314 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 110.3 | 166.8 | -82.2 | 180 | 0 | 0 | 0 | 109.2 | V2 F5 L68 K92 L93 | V2-L88 HydrophobicContact CG2-CD1 3.56Å; V2-L88 HydrophobicContact CG2-CD2 4.37Å; V2-L88 HydrophobicContact CG2-CG 4.07Å; F5-L88 HydrophobicContact CE2-CD2 3.98Å; L68-L88 HydrophobicContact CD1-CB 4.46Å; L68-L88 HydrophobicContact CD1-CD1 3.79Å; L68-L88 HydrophobicContact CD1-CG 3.82Å; L88-K92 WeakPolarHBondContact CA-O 3.5Å; L88-K92 WeakPolarHBondContact CD2-O 3.33Å; L88-L93 HydrophobicContact CD2-CB 4.28Å; L88-L93 HydrophobicContact CD2-CD1 4.34Å |
| 89 | E | 95.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 52.7 Ų | 52.7 | 34% | 0.341 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.9 | -178.5 | -60.7 | 175.4 | -154.6 | 0 | 0 | 108.5 | S87 C91 K92 V94 K96 | S87-E89 PolarHBondContact OG-OE1 2.81Å; E89-C91 VanDerWaalsContact C-N 3.28Å; E89-C91 PolarHBondContact O-N 3.19Å; E89-C91 VanDerWaalsContact O-N 3.13Å; E89-K92 PolarHBondContact N-O 3.5Å; E89-K92 WeakPolarHBondContact O-CA 3.19Å; E89-K92 WeakPolarHBondContact O-CB 3.33Å; E89-K92 PolarHBondContact O-N 3.03Å; E89-V94 HydrophobicContact CB-CG2 3.88Å; E89-V94 HydrophobicContact CG-CG2 4.18Å; E89-K96 IonicContact OE1-NZ 2.81Å; E89-K96 PolarHBondContact OE1-NZ 3.41Å; E89-K96 IonicContact OE2-NZ 3.51Å |
| 90 | N | 91.6 | Very high | 97 | Very high | 158 Ų | 158 | 54.5 Ų | 54.5 | 85% | 0.845 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 46.6 | 176.9 | -60.2 | -39.8 | 0 | 0 | 0 | 114 | K92 | N90-K92 PolarHBondContact O-N 3.34Š|
| 91 | C | 92.1 | Very high | 97.1 | Very high | 89 Ų | 89 | 57.5 Ų | 57.5 | 60% | 0.601 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 13.8 | -177.4 | -83.2 | 0 | 0 | 0 | 0 | 115.8 | K4 E89 | K4-C91 WeakPolarHBondContact CE-O 3.49Å; K4-C91 PolarHBondContact NZ-O 3.36Å; E89-C91 VanDerWaalsContact C-N 3.28Å; E89-C91 PolarHBondContact O-N 3.19Å; E89-C91 VanDerWaalsContact O-N 3.13Å |
| 92 | K | 97.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 54 Ų | 54 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 144.9 | 174 | -54.7 | -176 | 176.9 | 172.2 | 0 | 110.8 | L88 E89 N90 V94 E107 R108 E109 | L88-K92 WeakPolarHBondContact CA-O 3.5Å; L88-K92 WeakPolarHBondContact CD2-O 3.33Å; E89-K92 PolarHBondContact N-O 3.5Å; E89-K92 WeakPolarHBondContact O-CA 3.19Å; E89-K92 WeakPolarHBondContact O-CB 3.33Å; E89-K92 PolarHBondContact O-N 3.03Å; N90-K92 PolarHBondContact O-N 3.34Å; K92-V94 HydrophobicContact CB-CG2 4.18Å; K92-E107 HydrophobicContact CD-CB 4.27Å; K92-E107 HydrophobicContact CD-CG 4.49Å; K92-E107 VanDerWaalsContact CD-OE2 3.28Å; K92-E107 WeakPolarHBondContact CD-OE2 3.42Å; K92-E107 IonicContact NZ-OE2 3.41Å; K92-E107 PolarHBondContact NZ-OE2 2.81Å; K92-R108 CarbonylContact C-O 3.53Å; K92-R108 VanDerWaalsContact CA-O 3.27Å; K92-R108 WeakPolarHBondContact CA-O 3.44Å; K92-E109 WeakPolarHBondContact CE-OE2 3.12Å; K92-E109 HydrophobicContact CG-CB 4.13Å |
| 93 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 108.7 | 166.7 | 178.3 | 67.3 | 0 | 0 | 0 | 107.8 | F5 L68 F86 L88 R108 | F5-L93 HydrophobicContact CD1-CB 4.46Å; F5-L93 HydrophobicContact CD2-CB 4.17Å; F5-L93 HydrophobicContact CE1-CB 4.12Å; F5-L93 HydrophobicContact CE2-CB 3.8Å; F5-L93 HydrophobicContact CG-CB 4.5Å; F5-L93 HydrophobicContact CZ-CB 3.78Å; L68-L93 HydrophobicContact CD2-CD1 3.9Å; F86-L93 HydrophobicContact CB-CD1 4.43Å; F86-L93 HydrophobicContact CD1-CD1 4.05Å; F86-L93 HydrophobicContact CD1-CD2 4.39Å; F86-L93 HydrophobicContact CD1-CG 4.14Å; L88-L93 HydrophobicContact CD2-CB 4.28Å; L88-L93 HydrophobicContact CD2-CD1 4.34Å; L93-R108 HydrophobicContact CB-CB 4.31Å; L93-R108 PolarHBondContact N-O 3.49Å; L93-R108 PolarHBondContact O-N 3.26Å |
| 94 | V | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.7 | -175.1 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | F86 S87 E89 K92 K96 T105 E107 | F86-V94 CarbonylContact C-O 3.6Å; F86-V94 VanDerWaalsContact CA-O 3.22Å; F86-V94 WeakPolarHBondContact CA-O 2.94Å; S87-V94 PolarHBondContact N-O 3.38Å; S87-V94 PolarHBondContact O-N 3.33Å; E89-V94 HydrophobicContact CB-CG2 3.88Å; E89-V94 HydrophobicContact CG-CG2 4.18Å; K92-V94 HydrophobicContact CB-CG2 4.18Å; V94-K96 HydrophobicContact CG1-CG 4.18Å; V94-T105 HydrophobicContact CG1-CG2 3.73Å; V94-E107 HydrophobicContact CG1-CG 4.43Å; V94-E107 HydrophobicContact CG2-CG 4.18Å |
| 95 | Q | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 115.6 | 174.5 | 177.8 | -178.9 | 3 | 0 | 0 | 108.2 | E74 T84 V85 F86 Q97 T105 I106 | E74-Q95 PolarHBondContact OE1-NE2 3.01Å; E74-Q95 PolarHBondContact OE2-NE2 3.41Å; T84-Q95 HydrophobicContact CG2-CG 3.86Å; V85-Q95 WeakPolarHBondContact O-CA 3.28Å; F86-Q95 HydrophobicContact CD1-CB 3.76Å; F86-Q95 HydrophobicContact CD1-CG 4.15Å; F86-Q95 HydrophobicContact CD2-CG 4.23Å; F86-Q95 HydrophobicContact CE1-CB 3.53Å; F86-Q95 HydrophobicContact CE1-CG 3.66Å; F86-Q95 HydrophobicContact CE2-CB 4.41Å; F86-Q95 HydrophobicContact CE2-CG 3.72Å; F86-Q95 HydrophobicContact CG-CB 4.34Å; F86-Q95 HydrophobicContact CG-CG 4.44Å; F86-Q95 HydrophobicContact CZ-CB 3.89Å; F86-Q95 HydrophobicContact CZ-CG 3.43Å; F86-Q95 VanDerWaalsContact CZ-CG 3.43Å; Q95-Q97 HydrophobicContact CG-CG 4.23Å; Q95-Q97 VanDerWaalsContact NE2-NE2 3.16Å; Q95-T105 CarbonylContact O-C 3.57Å; Q95-T105 WeakPolarHBondContact O-CA 3.43Å; Q95-I106 HydrophobicContact CB-CB 4.22Å; Q95-I106 PolarHBondContact N-O 3.27Å; Q95-I106 PolarHBondContact O-N 2.85Å |
| 96 | K | 98.6 | Very high | 97.2 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.7 | 175.3 | -70.3 | 171.9 | 178.2 | 149.7 | 0 | 108.7 | T84 V85 E89 V94 T105 | T84-K96 VanDerWaalsContact CA-O 3.3Å; T84-K96 WeakPolarHBondContact CA-O 3.43Å; V85-K96 HydrophobicContact CG1-CB 4.02Å; V85-K96 PolarHBondContact N-O 3Å; V85-K96 PolarHBondContact O-N 3Å; E89-K96 IonicContact OE1-NZ 2.81Å; E89-K96 PolarHBondContact OE1-NZ 3.41Å; E89-K96 IonicContact OE2-NZ 3.51Å; V94-K96 HydrophobicContact CG1-CG 4.18Å; K96-T105 HydrophobicContact CG-CG2 4.29Å |
| 97 | Q | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.028 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.8 | 177.8 | -49.6 | 180 | -45.3 | 0 | 0 | 109.5 | E74 T82 T84 Q95 W99 E103 T104 | E74-Q97 VanDerWaalsContact CD-NE2 3.28Å; E74-Q97 PolarHBondContact OE1-NE2 3.39Å; E74-Q97 PolarHBondContact OE2-NE2 2.74Å; T82-Q97 HydrophobicContact CG2-CB 4.08Å; T84-Q97 HydrophobicContact CG2-CG 4.19Å; Q95-Q97 HydrophobicContact CG-CG 4.23Å; Q95-Q97 VanDerWaalsContact NE2-NE2 3.16Å; Q97-W99 WeakPolarHBondContact O-CZ3 3.27Å; Q97-E103 WeakPolarHBondContact O-CA 3.32Å; Q97-T104 HydrophobicContact CB-CG2 3.92Å; Q97-T104 HydrophobicContact CG-CG2 4.24Å; Q97-T104 PolarHBondContact N-O 2.97Å; Q97-T104 PolarHBondContact O-N 2.92Å |
| 98 | K | 98.4 | Very high | 97.2 | Very high | 116 Ų | 116 | 55.7 Ų | 55.7 | 50% | 0.504 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.6 | 179.3 | -69.2 | 176.8 | 170.8 | 179.1 | 0 | 111.6 | T82 M83 K102 E103 | T82-K98 CarbonylContact C-O 3.58Å; T82-K98 VanDerWaalsContact CA-O 3.28Å; T82-K98 WeakPolarHBondContact CA-O 3.46Å; M83-K98 PolarHBondContact N-O 3.1Å; M83-K98 PolarHBondContact O-N 2.55Å; K98-K102 WeakPolarHBondContact CA-O 3.36Å; K98-E103 WeakPolarHBondContact CE-OE2 3.41Å; K98-E103 HydrophobicContact CG-CB 4.26Å; K98-E103 HydrophobicContact CG-CG 4.05Å; K98-E103 IonicContact NZ-OE2 3.39Å; K98-E103 PolarHBondContact NZ-OE2 2.91Å |
| 99 | W | 97.8 | Very high | 97.2 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 142.6 | 174.4 | 70.6 | 105.5 | 0 | 0 | 0 | 110 | L24 R80 K81 T82 Q97 G101 K102 T104 M122 | L24-W99 HydrophobicContact CD2-CH2 3.53Å; L24-W99 HydrophobicContact CD2-CZ2 3.99Å; R80-W99 VanDerWaalsContact NH1-CH2 3.27Å; K81-W99 WeakPolarHBondContact O-CB 3.34Å; T82-W99 HydrophobicContact CG2-CB 4.05Å; T82-W99 HydrophobicContact CG2-CD2 4.21Å; T82-W99 HydrophobicContact CG2-CE3 3.91Å; T82-W99 HydrophobicContact CG2-CG 4.28Å; Q97-W99 WeakPolarHBondContact O-CZ3 3.27Å; W99-G101 PolarHBondContact O-N 3.4Å; W99-K102 HydrophobicContact CD2-CB 4.18Å; W99-K102 HydrophobicContact CE3-CB 4.42Å; W99-K102 HydrophobicContact CH2-CB 4.15Å; W99-K102 HydrophobicContact CZ2-CB 3.95Å; W99-K102 HydrophobicContact CZ2-CD 4.03Å; W99-K102 HydrophobicContact CZ3-CB 4.37Å; W99-K102 PolarHBondContact N-O 2.88Å; W99-K102 WeakPolarHBondContact O-CA 3.32Å; W99-K102 WeakPolarHBondContact O-CB 3.47Å; W99-K102 PolarHBondContact O-N 3.09Å; W99-T104 HydrophobicContact CH2-CG2 4.06Å; W99-T104 HydrophobicContact CZ3-CG2 3.77Å; W99-M122 HydrophobicContact CH2-CE 3.98Å; W99-M122 HydrophobicContact CH2-SD 3.83Å; W99-M122 HydrophobicContact CZ2-CE 4.12Å; W99-M122 HydrophobicContact CZ2-SD 4.5Å |
| 100 | D | 95.5 | Very high | 97.3 | Very high | 154 Ų | 154 | 53.8 Ų | 53.8 | 82% | 0.824 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 39 | 172.7 | -54.4 | -28.8 | 0 | 0 | 0 | 114.9 | K102 | D100-K102 PolarHBondContact O-N 2.8Š|
| 101 | G | 95.8 | Very high | 97.4 | Very high | 93 Ų | 93 | 48.3 Ų | 48.3 | 96% | 0.959 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 3.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | W99 | W99-G101 PolarHBondContact O-N 3.4Š|
| 102 | K | 97.1 | Very high | 97.4 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 157.1 | 174.7 | -61.3 | 176.5 | -179.1 | 177.6 | 0 | 111.4 | K98 W99 D100 M122 | K98-K102 WeakPolarHBondContact CA-O 3.36Å; W99-K102 HydrophobicContact CD2-CB 4.18Å; W99-K102 HydrophobicContact CE3-CB 4.42Å; W99-K102 HydrophobicContact CH2-CB 4.15Å; W99-K102 HydrophobicContact CZ2-CB 3.95Å; W99-K102 HydrophobicContact CZ2-CD 4.03Å; W99-K102 HydrophobicContact CZ3-CB 4.37Å; W99-K102 PolarHBondContact N-O 2.88Å; W99-K102 WeakPolarHBondContact O-CA 3.32Å; W99-K102 WeakPolarHBondContact O-CB 3.47Å; W99-K102 PolarHBondContact O-N 3.09Å; D100-K102 PolarHBondContact O-N 2.8Å; K102-M122 HydrophobicContact CB-CE 4.09Å; K102-M122 HydrophobicContact CD-CE 4.06Å; K102-M122 HydrophobicContact CG-CE 4.32Å |
| 103 | E | 97.9 | Very high | 97 | Very high | 83 Ų | 83 | 51 Ų | 51 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 137 | 175.6 | -175 | 179.3 | 122.4 | 0 | 0 | 110.3 | Q97 K98 | Q97-E103 WeakPolarHBondContact O-CA 3.32Å; K98-E103 WeakPolarHBondContact CE-OE2 3.41Å; K98-E103 HydrophobicContact CG-CB 4.26Å; K98-E103 HydrophobicContact CG-CG 4.05Å; K98-E103 IonicContact NZ-OE2 3.39Å; K98-E103 PolarHBondContact NZ-OE2 2.91Å |
| 104 | T | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.2 | 165.4 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | Y20 L24 Q97 W99 M121 | Y20-T104 WeakPolarHBondContact CE2-OG1 3.28Å; Y20-T104 PolarHBondContact OH-OG1 3.43Å; L24-T104 HydrophobicContact CD2-CG2 4.03Å; Q97-T104 HydrophobicContact CB-CG2 3.92Å; Q97-T104 HydrophobicContact CG-CG2 4.24Å; Q97-T104 PolarHBondContact N-O 2.97Å; Q97-T104 PolarHBondContact O-N 2.92Å; W99-T104 HydrophobicContact CH2-CG2 4.06Å; W99-T104 HydrophobicContact CZ3-CG2 3.77Å; T104-M121 WeakPolarHBondContact CA-O 3.48Å; T104-M121 PolarHBondContact OG1-O 3.28Å |
| 105 | T | 98.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.6 | 177.4 | -63.4 | 0 | 0 | 0 | 0 | 110.4 | V94 Q95 K96 E107 M121 | V94-T105 HydrophobicContact CG1-CG2 3.73Å; Q95-T105 CarbonylContact O-C 3.57Å; Q95-T105 WeakPolarHBondContact O-CA 3.43Å; K96-T105 HydrophobicContact CG-CG2 4.29Å; T105-E107 HydrophobicContact CG2-CG 4.14Å; T105-M121 HydrophobicContact CG2-CE 3.71Å; T105-M121 PolarHBondContact N-O 2.77Å; T105-M121 PolarHBondContact O-N 3.27Å |
| 106 | I | 98.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.7 | 171.6 | -53.6 | 168.8 | 0 | 0 | 0 | 108.2 | Q95 R108 K119 C120 | Q95-I106 HydrophobicContact CB-CB 4.22Å; Q95-I106 PolarHBondContact N-O 3.27Å; Q95-I106 PolarHBondContact O-N 2.85Å; I106-R108 HydrophobicContact CG2-CG 4.48Å; I106-K119 CarbonylContact C-O 3.57Å; I106-K119 WeakPolarHBondContact CA-O 3.49Å; I106-C120 HydrophobicContact CG1-CB 4.38Å |
| 107 | E | 98.4 | Very high | 96.7 | Very high | 42 Ų | 42 | 54 Ų | 54 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.4 | 173.7 | -64.8 | -172.3 | 167.3 | 0 | 0 | 110.4 | K92 V94 T105 A118 K119 M121 | K92-E107 HydrophobicContact CD-CB 4.27Å; K92-E107 HydrophobicContact CD-CG 4.49Å; K92-E107 VanDerWaalsContact CD-OE2 3.28Å; K92-E107 WeakPolarHBondContact CD-OE2 3.42Å; K92-E107 IonicContact NZ-OE2 3.41Å; K92-E107 PolarHBondContact NZ-OE2 2.81Å; V94-E107 HydrophobicContact CG1-CG 4.43Å; V94-E107 HydrophobicContact CG2-CG 4.18Å; T105-E107 HydrophobicContact CG2-CG 4.14Å; E107-A118 CarbonylContact O-C 3.56Å; E107-A118 WeakPolarHBondContact O-CA 3.35Å; E107-K119 HydrophobicContact CB-CB 4.5Å; E107-K119 PolarHBondContact N-O 3.17Å; E107-K119 PolarHBondContact O-N 3.25Å; E107-M121 HydrophobicContact CB-CE 4.47Å; E107-M121 HydrophobicContact CG-CE 3.64Å |
| 108 | R | 98.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.8 | 172.9 | -60.6 | 175.6 | -175.8 | 81.7 | -5.6 | 109.7 | F5 K92 L93 I106 L116 I117 A118 | F5-R108 HydrophobicContact CD1-CB 4.46Å; F5-R108 HydrophobicContact CE1-CB 4.06Å; F5-R108 WeakPolarHBondContact CE1-O 3.34Å; F5-R108 VanDerWaalsContact CZ-O 3.28Å; F5-R108 WeakPolarHBondContact CZ-O 3.49Å; K92-R108 CarbonylContact C-O 3.53Å; K92-R108 VanDerWaalsContact CA-O 3.27Å; K92-R108 WeakPolarHBondContact CA-O 3.44Å; L93-R108 HydrophobicContact CB-CB 4.31Å; L93-R108 PolarHBondContact N-O 3.49Å; L93-R108 PolarHBondContact O-N 3.26Å; I106-R108 HydrophobicContact CG2-CG 4.48Å; R108-L116 HydrophobicContact CB-CD2 4.24Å; R108-L116 HydrophobicContact CG-CD2 4.27Å; R108-I117 CarbonylContact C-O 3.55Å; R108-I117 WeakPolarHBondContact CA-O 3.13Å; R108-A118 HydrophobicContact CG-CB 4.08Å |
| 109 | E | 97.5 | Very high | 96.6 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 24% | 0.238 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.4 | 174.8 | 64.8 | -170.7 | 155.7 | 0 | 0 | 110.5 | K92 L116 I117 K119 | K92-E109 WeakPolarHBondContact CE-OE2 3.12Å; K92-E109 HydrophobicContact CG-CB 4.13Å; E109-L116 CarbonylContact O-C 3.54Å; E109-L116 WeakPolarHBondContact O-CA 3.29Å; E109-I117 HydrophobicContact CG-CB 3.85Å; E109-I117 HydrophobicContact CG-CG1 4.49Å; E109-I117 PolarHBondContact N-O 2.74Å; E109-I117 PolarHBondContact O-N 3.27Å; E109-K119 IonicContact OE1-NZ 3.61Å; E109-K119 PolarHBondContact OE1-NZ 2.81Å |
| 110 | V | 97.2 | Very high | 96.7 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 119.8 | 169.7 | 179 | 0 | 0 | 0 | 0 | 107.8 | K4 F5 W9 K115 L116 | K4-V110 HydrophobicContact CG-CG2 4.49Å; F5-V110 HydrophobicContact CD1-CG2 3.63Å; F5-V110 HydrophobicContact CE1-CG2 3.79Å; F5-V110 HydrophobicContact CG-CG2 4.38Å; W9-V110 HydrophobicContact CH2-CG1 3.94Å; W9-V110 HydrophobicContact CH2-CG2 3.86Å; W9-V110 HydrophobicContact CZ2-CG2 3.96Å; V110-K115 CarbonylContact C-O 3.56Å; V110-K115 VanDerWaalsContact CA-O 3.28Å; V110-K115 WeakPolarHBondContact CA-O 3.38Å; V110-L116 HydrophobicContact CG2-CB 4.48Å; V110-L116 HydrophobicContact CG2-CD1 4.49Å |
| 111 | T | 94.6 | Very high | 96.8 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | trans | -82.8 | 162.3 | -177.9 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | D113 G114 K115 I117 | T111-D113 WeakPolarHBondContact CB-OD1 3.41Å; T111-D113 PolarHBondContact O-N 3.21Å; T111-D113 PolarHBondContact OG1-OD1 2.87Å; T111-G114 PolarHBondContact O-N 2.94Å; T111-K115 PolarHBondContact N-O 3.17Å; T111-K115 WeakPolarHBondContact OG1-CB 3.24Å; T111-K115 PolarHBondContact OG1-N 2.95Å; T111-K115 PolarHBondContact OG1-O 3.32Å; T111-K115 VanDerWaalsContact OG1-O 3.09Å; T111-I117 HydrophobicContact CG2-CG1 3.66Å | ||
| 112 | G | 90.1 | Very high | 96.9 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 97% | 0.969 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G114 | G112-G114 VanDerWaalsContact C-N 3.28Š|
| 113 | D | 90.7 | Very high | 96.9 | Very high | 100 Ų | 100 | 41 Ų | 41 | 54% | 0.535 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 13.3 | 174.4 | 69.5 | -34.4 | 0 | 0 | 0 | 113.4 | T111 K115 | T111-D113 WeakPolarHBondContact CB-OD1 3.41Å; T111-D113 PolarHBondContact O-N 3.21Å; T111-D113 PolarHBondContact OG1-OD1 2.87Å; D113-K115 PolarHBondContact O-N 3.36Å; D113-K115 WeakPolarHBondContact OD2-CD 3.41Å; D113-K115 VanDerWaalsContact OD2-CE 3.29Å; D113-K115 WeakPolarHBondContact OD2-CE 3.4Å; D113-K115 IonicContact OD2-NZ 3Å; D113-K115 PolarHBondContact OD2-NZ 2.83Å |
| 114 | G | 92.5 | Very high | 96.8 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 38% | 0.381 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 76.6 | 20.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | W9 T111 G112 | W9-G114 WeakPolarHBondContact CZ3-O 3.25Å; T111-G114 PolarHBondContact O-N 2.94Å; G112-G114 VanDerWaalsContact C-N 3.28Å |
| 115 | K | 96.9 | Very high | 96.8 | Very high | 64 Ų | 64 | 47 Ų | 47 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 153.7 | 172.1 | -63.4 | 174 | -175.6 | 139 | 0 | 110.6 | V110 T111 D113 T130 Y131 | V110-K115 CarbonylContact C-O 3.56Å; V110-K115 VanDerWaalsContact CA-O 3.28Å; V110-K115 WeakPolarHBondContact CA-O 3.38Å; T111-K115 PolarHBondContact N-O 3.17Å; T111-K115 WeakPolarHBondContact OG1-CB 3.24Å; T111-K115 PolarHBondContact OG1-N 2.95Å; T111-K115 PolarHBondContact OG1-O 3.32Å; T111-K115 VanDerWaalsContact OG1-O 3.09Å; D113-K115 PolarHBondContact O-N 3.36Å; D113-K115 WeakPolarHBondContact OD2-CD 3.41Å; D113-K115 VanDerWaalsContact OD2-CE 3.29Å; D113-K115 WeakPolarHBondContact OD2-CE 3.4Å; D113-K115 IonicContact OD2-NZ 3Å; D113-K115 PolarHBondContact OD2-NZ 2.83Å; K115-T130 HydrophobicContact CB-CG2 4.36Å; K115-T130 HydrophobicContact CD-CG2 3.98Å; K115-Y131 CarbonylContact C-O 3.56Å; K115-Y131 VanDerWaalsContact CA-O 3.32Å; K115-Y131 WeakPolarHBondContact CA-O 3.22Å; K115-Y131 WeakPolarHBondContact CB-O 3.39Å |
| 116 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.6 | 166.9 | -176.8 | 159.3 | 0 | 0 | 0 | 108.4 | F5 W9 L41 I43 R108 E109 V110 A118 Y131 | F5-L116 HydrophobicContact CD1-CD1 4.06Å; W9-L116 HydrophobicContact CD2-CB 3.75Å; W9-L116 HydrophobicContact CD2-CD1 3.83Å; W9-L116 HydrophobicContact CD2-CG 4.46Å; W9-L116 HydrophobicContact CE3-CB 3.44Å; W9-L116 VanDerWaalsContact CE3-CB 3.44Å; W9-L116 HydrophobicContact CE3-CD1 4.39Å; W9-L116 HydrophobicContact CG-CB 4.41Å; W9-L116 HydrophobicContact CG-CD1 3.99Å; W9-L116 HydrophobicContact CH2-CB 4.16Å; W9-L116 HydrophobicContact CZ2-CB 4.43Å; W9-L116 HydrophobicContact CZ2-CD1 4.27Å; W9-L116 HydrophobicContact CZ3-CB 3.66Å; L41-L116 HydrophobicContact CD2-CD1 4.23Å; L41-L116 HydrophobicContact CD2-CD2 4.25Å; I43-L116 HydrophobicContact CD1-CD1 4.4Å; R108-L116 HydrophobicContact CB-CD2 4.24Å; R108-L116 HydrophobicContact CG-CD2 4.27Å; E109-L116 CarbonylContact O-C 3.54Å; E109-L116 WeakPolarHBondContact O-CA 3.29Å; V110-L116 HydrophobicContact CG2-CB 4.48Å; V110-L116 HydrophobicContact CG2-CD1 4.49Å; L116-A118 HydrophobicContact CD2-CB 4.27Å; L116-Y131 HydrophobicContact CD2-CD2 3.75Å; L116-Y131 HydrophobicContact CD2-CE2 4.25Å; L116-Y131 HydrophobicContact CD2-CG 4.43Å; L116-Y131 PolarHBondContact N-O 2.93Å; L116-Y131 PolarHBondContact O-N 3.47Å |
| 117 | I | 98.2 | Very high | 96.8 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121 | 175.3 | -52.8 | -62.3 | 0 | 0 | 0 | 108.2 | R108 E109 T111 K119 V128 T130 | R108-I117 CarbonylContact C-O 3.55Å; R108-I117 WeakPolarHBondContact CA-O 3.13Å; E109-I117 HydrophobicContact CG-CB 3.85Å; E109-I117 HydrophobicContact CG-CG1 4.49Å; E109-I117 PolarHBondContact N-O 2.74Å; E109-I117 PolarHBondContact O-N 3.27Å; T111-I117 HydrophobicContact CG2-CG1 3.66Å; I117-K119 HydrophobicContact CG2-CG 4.38Å; I117-V128 HydrophobicContact CG2-CG1 3.77Å; I117-T130 HydrophobicContact CD1-CG2 3.62Å; I117-T130 WeakPolarHBondContact CD1-OG1 3.41Å |
| 118 | A | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | E107 R108 L116 V128 R129 Y131 | E107-A118 CarbonylContact O-C 3.56Å; E107-A118 WeakPolarHBondContact O-CA 3.35Å; R108-A118 HydrophobicContact CG-CB 4.08Å; L116-A118 HydrophobicContact CD2-CB 4.27Å; A118-V128 WeakPolarHBondContact O-CA 3.44Å; A118-R129 HydrophobicContact CB-CB 4.37Å; A118-R129 PolarHBondContact N-O 3.12Å; A118-R129 PolarHBondContact O-N 3.22Å; A118-Y131 HydrophobicContact CB-CE2 3.99Å |
| 119 | K | 98.4 | Very high | 96.7 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.8 | 174.1 | -69.5 | 172.6 | 177.9 | 144.9 | 0 | 109.1 | I106 E107 E109 I117 A127 V128 | I106-K119 CarbonylContact C-O 3.57Å; I106-K119 WeakPolarHBondContact CA-O 3.49Å; E107-K119 HydrophobicContact CB-CB 4.5Å; E107-K119 PolarHBondContact N-O 3.17Å; E107-K119 PolarHBondContact O-N 3.25Å; E109-K119 IonicContact OE1-NZ 3.61Å; E109-K119 PolarHBondContact OE1-NZ 2.81Å; I117-K119 HydrophobicContact CG2-CG 4.38Å; K119-A127 CarbonylContact C-O 3.49Å; K119-A127 WeakPolarHBondContact CA-O 3.4Å; K119-V128 HydrophobicContact CG-CG2 4.32Å |
| 120 | C | 98.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.5 | 178 | -51.7 | 0 | 0 | 0 | 0 | 109.1 | Y20 I106 I126 A127 | Y20-C120 HydrophobicContact CD1-CB 4.01Å; Y20-C120 HydrophobicContact CD2-CB 3.83Å; Y20-C120 HydrophobicContact CE1-CB 3.77Å; Y20-C120 HydrophobicContact CE2-CB 3.59Å; Y20-C120 HydrophobicContact CG-CB 4.03Å; I106-C120 HydrophobicContact CG1-CB 4.38Å; C120-I126 WeakPolarHBondContact O-CA 3.38Å; C120-A127 HydrophobicContact CB-CB 4.35Å; C120-A127 PolarHBondContact N-O 3.04Å; C120-A127 PolarHBondContact O-N 3.33Å |
| 121 | M | 98.6 | Very high | 96.8 | Very high | 48 Ų | 48 | 46 Ų | 46 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.3 | -168.5 | -60.7 | 174.1 | -71.6 | 0 | 0 | 110.9 | T104 T105 E107 V125 I126 | T104-M121 WeakPolarHBondContact CA-O 3.48Å; T104-M121 PolarHBondContact OG1-O 3.28Å; T105-M121 HydrophobicContact CG2-CE 3.71Å; T105-M121 PolarHBondContact N-O 2.77Å; T105-M121 PolarHBondContact O-N 3.27Å; E107-M121 HydrophobicContact CB-CE 4.47Å; E107-M121 HydrophobicContact CG-CE 3.64Å; M121-V125 WeakPolarHBondContact CA-O 3.44Å; M121-I126 HydrophobicContact CG-CG1 4.13Å; M121-I126 HydrophobicContact CG-CG2 4.17Å |
| 122 | M | 98 | Very high | 96.9 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 104.6 | 176.6 | 178.9 | 71.3 | -176.6 | 0 | 0 | 108.8 | Y20 A23 L24 W99 K102 D124 V125 | Y20-M122 HydrophobicContact CD2-CB 4.02Å; Y20-M122 HydrophobicContact CE2-CB 3.87Å; A23-M122 HydrophobicContact CB-CB 4.17Å; A23-M122 HydrophobicContact CB-CG 3.81Å; L24-M122 HydrophobicContact CD2-CB 4.43Å; L24-M122 HydrophobicContact CD2-CG 4.18Å; L24-M122 HydrophobicContact CD2-SD 3.91Å; W99-M122 HydrophobicContact CH2-CE 3.98Å; W99-M122 HydrophobicContact CH2-SD 3.83Å; W99-M122 HydrophobicContact CZ2-CE 4.12Å; W99-M122 HydrophobicContact CZ2-SD 4.5Å; K102-M122 HydrophobicContact CB-CE 4.09Å; K102-M122 HydrophobicContact CD-CE 4.06Å; K102-M122 HydrophobicContact CG-CE 4.32Å; M122-D124 PolarHBondContact O-N 2.93Å; M122-V125 PolarHBondContact N-O 3.4Å; M122-V125 WeakPolarHBondContact O-CB 3.35Å; M122-V125 PolarHBondContact O-N 2.98Å |
| 123 | G | 95.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 73% | 0.732 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | -128.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V125 | G123-V125 VanDerWaalsContact C-N 3.28Å; G123-V125 PolarHBondContact O-N 3.06Å |
| 124 | D | 96.6 | Very high | 97.2 | Very high | 171 Ų | 171 | 48.2 Ų | 48.2 | 91% | 0.914 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -3 | 178.1 | -56.9 | -43.9 | 0 | 0 | 0 | 113.7 | M122 | M122-D124 PolarHBondContact O-N 2.93Š|
| 125 | V | 98.4 | Very high | 96.2 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.4 | -177.3 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | D19 A23 M121 M122 G123 | D19-V125 HydrophobicContact CB-CG1 4Å; A23-V125 HydrophobicContact CB-CB 4.22Å; A23-V125 HydrophobicContact CB-CG2 4.05Å; M121-V125 WeakPolarHBondContact CA-O 3.44Å; M122-V125 PolarHBondContact N-O 3.4Å; M122-V125 WeakPolarHBondContact O-CB 3.35Å; M122-V125 PolarHBondContact O-N 2.98Å; G123-V125 VanDerWaalsContact C-N 3.28Å; G123-V125 PolarHBondContact O-N 3.06Å |
| 126 | I | 98.6 | Very high | 96.2 | Very high | 86 Ų | 86 | 55.7 Ų | 55.7 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.5 | 179.3 | -52.4 | -177.8 | 0 | 0 | 0 | 109.6 | N16 C120 M121 V128 | N16-I126 WeakPolarHBondContact CB-O 3.46Å; N16-I126 PolarHBondContact ND2-O 2.77Å; C120-I126 WeakPolarHBondContact O-CA 3.38Å; M121-I126 HydrophobicContact CG-CG1 4.13Å; M121-I126 HydrophobicContact CG-CG2 4.17Å; I126-V128 HydrophobicContact CG2-CG2 4.5Å |
| 127 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E15 N16 F17 Y20 K119 C120 | E15-A127 VanDerWaalsContact O-CA 3.32Å; E15-A127 WeakPolarHBondContact O-CA 3.25Å; E15-A127 WeakPolarHBondContact O-CB 3.46Å; N16-A127 HydrophobicContact CB-CB 4.47Å; F17-A127 HydrophobicContact CB-CB 4.38Å; F17-A127 HydrophobicContact CD2-CB 4.16Å; Y20-A127 HydrophobicContact CG-CB 4.14Å; K119-A127 CarbonylContact C-O 3.49Å; K119-A127 WeakPolarHBondContact CA-O 3.4Å; C120-A127 HydrophobicContact CB-CB 4.35Å; C120-A127 PolarHBondContact N-O 3.04Å; C120-A127 PolarHBondContact O-N 3.33Å |
| 128 | V | 98.4 | Very high | 96 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.2 | 179.6 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | S14 E15 I117 A118 K119 I126 | S14-V128 CarbonylContact C-O 3.45Å; S14-V128 WeakPolarHBondContact CA-O 3.37Å; E15-V128 PolarHBondContact N-O 2.95Å; E15-V128 PolarHBondContact O-N 3.22Å; I117-V128 HydrophobicContact CG2-CG1 3.77Å; A118-V128 WeakPolarHBondContact O-CA 3.44Å; K119-V128 HydrophobicContact CG-CG2 4.32Å; I126-V128 HydrophobicContact CG2-CG2 4.5Å |
| 129 | R | 97.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 6% | 0.06 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.9 | 174.5 | -50.8 | -167.7 | 80.2 | 142.3 | 1.1 | 109.4 | M11 S14 F17 T37 A118 Y131 | M11-R129 HydrophobicContact CE-CB 4.42Å; M11-R129 VanDerWaalsContact SD-CZ 3.58Å; M11-R129 PolarHBondContact SD-NE 3.5Å; M11-R129 VanDerWaalsContact SD-NE 3.41Å; M11-R129 PolarHBondContact SD-NH2 3.21Å; S14-R129 PolarHBondContact OG-NE 3.16Å; F17-R129 HydrophobicContact CD2-CG 4.45Å; F17-R129 VanDerWaalsContact CE2-NH1 3.28Å; T37-R129 PolarHBondContact O-NH2 3.36Å; A118-R129 HydrophobicContact CB-CB 4.37Å; A118-R129 PolarHBondContact N-O 3.12Å; A118-R129 PolarHBondContact O-N 3.22Å; R129-Y131 HydrophobicContact CB-CE2 3.7Å |
| 130 | T | 98.1 | Very high | 95.7 | Very high | 15 Ų | 15 | 63.8 Ų | 63.8 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.4 | -178.9 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | I12 S13 K115 I117 | I12-T130 HydrophobicContact CD1-CG2 3.73Å; I12-T130 HydrophobicContact CG1-CG2 3.71Å; I12-T130 WeakPolarHBondContact CG1-O 3.33Å; I12-T130 PolarHBondContact N-O 3.39Å; S13-T130 PolarHBondContact N-O 3.1Å; S13-T130 PolarHBondContact O-N 3.46Å; S13-T130 VanDerWaalsContact OG-CB 3.25Å; S13-T130 WeakPolarHBondContact OG-CB 3.41Å; S13-T130 PolarHBondContact OG-OG1 3.03Å; K115-T130 HydrophobicContact CB-CG2 4.36Å; K115-T130 HydrophobicContact CD-CG2 3.98Å; I117-T130 HydrophobicContact CD1-CG2 3.62Å; I117-T130 WeakPolarHBondContact CD1-OG1 3.41Å |
| 131 | Y | 98.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 67.5 Ų | 67.5 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.3 | 177.9 | -53 | -110.9 | 0 | 0 | 0 | 110.6 | W9 K10 M11 L41 K115 L116 A118 R129 | W9-Y131 HydrophobicContact CB-CD1 4.25Å; W9-Y131 HydrophobicContact CB-CG 4.3Å; K10-Y131 CarbonylContact O-C 3.57Å; K10-Y131 WeakPolarHBondContact O-CA 3.32Å; M11-Y131 HydrophobicContact CB-CD1 3.74Å; M11-Y131 HydrophobicContact CB-CE1 3.75Å; M11-Y131 HydrophobicContact CB-CG 4.47Å; M11-Y131 HydrophobicContact CE-CD1 4.44Å; M11-Y131 HydrophobicContact CE-CE1 3.46Å; M11-Y131 VanDerWaalsContact CE-CE1 3.46Å; M11-Y131 HydrophobicContact CE-CE2 4.27Å; M11-Y131 WeakPolarHBondContact CE-OH 3.5Å; M11-Y131 HydrophobicContact CG-CD1 4.4Å; M11-Y131 HydrophobicContact CG-CE1 4.24Å; L41-Y131 HydrophobicContact CB-CD1 4.19Å; L41-Y131 HydrophobicContact CB-CE1 3.92Å; K115-Y131 CarbonylContact C-O 3.56Å; K115-Y131 VanDerWaalsContact CA-O 3.32Å; K115-Y131 WeakPolarHBondContact CA-O 3.22Å; K115-Y131 WeakPolarHBondContact CB-O 3.39Å; L116-Y131 HydrophobicContact CD2-CD2 3.75Å; L116-Y131 HydrophobicContact CD2-CE2 4.25Å; L116-Y131 HydrophobicContact CD2-CG 4.43Å; L116-Y131 PolarHBondContact N-O 2.93Å; L116-Y131 PolarHBondContact O-N 3.47Å; A118-Y131 HydrophobicContact CB-CE2 3.99Å; R129-Y131 HydrophobicContact CB-CE2 3.7Å |
| 132 | M | 97 | Very high | 95.3 | Very high | 101 Ų | 101 | 68.9 Ų | 68.9 | 50% | 0.498 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138.8 | 171.5 | 179.6 | 170.8 | -92.7 | 0 | 0 | 109 | W9 K10 I12 E134 | W9-M132 CarbonylContact C-O 3.49Å; W9-M132 WeakPolarHBondContact CA-O 3.27Å; K10-M132 PolarHBondContact N-O 3.33Å; K10-M132 PolarHBondContact O-N 2.87Å; I12-M132 HydrophobicContact CD1-CB 4.46Å; I12-M132 HydrophobicContact CG2-CB 3.94Å; M132-E134 PolarHBondContact O-N 3.15Å |
| 133 | K | 95.7 | Very high | 95 | Very high | 91 Ų | 91 | 72.2 Ų | 72.2 | 40% | 0.396 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 131.4 | 176.3 | -157.6 | 168.5 | -172.1 | 167.1 | 0 | 109.4 | V6 W9 | V6-K133 WeakPolarHBondContact O-CE 3.48Å; V6-K133 PolarHBondContact O-NZ 3.27Å; W9-K133 HydrophobicContact CD2-CB 4.4Å; W9-K133 HydrophobicContact CD2-CG 4.39Å; W9-K133 HydrophobicContact CE3-CB 3.81Å; W9-K133 HydrophobicContact CE3-CG 4.27Å; W9-K133 HydrophobicContact CH2-CB 4.07Å; W9-K133 HydrophobicContact CH2-CD 4Å; W9-K133 HydrophobicContact CH2-CG 4.2Å; W9-K133 HydrophobicContact CZ2-CD 4.08Å; W9-K133 HydrophobicContact CZ2-CG 4.31Å; W9-K133 HydrophobicContact CZ3-CB 3.63Å; W9-K133 HydrophobicContact CZ3-CD 4.44Å; W9-K133 HydrophobicContact CZ3-CG 4.18Å |
| 134 | E | 90.9 | Very high | 95 | Very high | 90 Ų | 90 | 72.3 Ų | 72.3 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | trans | -70.9 | 127.5 | 168.3 | -171.3 | 166.4 | -136.1 | 0 | 0 | 108 | T8 K10 M132 | T8-E134 HydrophobicContact CG2-CB 4.16Å; T8-E134 WeakPolarHBondContact CG2-OE2 3.43Å; T8-E134 PolarHBondContact O-N 2.81Å; K10-E134 WeakPolarHBondContact CE-OE1 3.39Å; K10-E134 IonicContact NZ-OE1 2.74Å; K10-E134 PolarHBondContact NZ-OE1 3.21Å; M132-E134 PolarHBondContact O-N 3.15Å | ||
| 135 | V | 71.6 | Confident | 94.8 | Very high | 203 Ų | 203 | 63.4 Ų | 63.4 | 100% | 1.23 | 33% | 0.334 | S | S | * | . | trans | -78.9 | 0 | 179 | -176.9 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 135 of 135 residues in 29.3 ms
(Link to these results)