| 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 | 53.2 | Low | 90.6 | Very high | 221 Ų | 221 | 57.2 Ų | 57.2 | 100% | 1.089 | 32% | 0.319 | S | S | * | . | 0 | 135.7 | 0 | -76.4 | -178.4 | -95.7 | 0 | 0 | 105.7 | |||||
| 2 | P | 73.4 | Confident | 91.2 | Very high | 75 Ų | 75 | 60.1 Ų | 60.1 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | trans | -53.7 | 147.8 | 176.8 | -19.6 | 30.2 | 0 | 0 | 0 | 110.4 | W89 | P2-W89 HydrophobicContact CB-CD2 4.44Å; P2-W89 HydrophobicContact CB-CH2 3.86Å; P2-W89 HydrophobicContact CB-CZ2 3.64Å; P2-W89 HydrophobicContact CB-CZ3 4.35Å | ||
| 3 | A | 88.1 | Confident | 91.8 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | trans | -57.9 | 143.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | F5 Q45 D92 | A3-F5 HydrophobicContact CB-CD2 4.39Å; A3-F5 HydrophobicContact CB-CE2 3.74Å; A3-F5 HydrophobicContact CB-CZ 4.28Å; A3-F5 WeakPolarHBondContact O-CD2 3.39Å; A3-Q45 PolarHBondContact O-NE2 3.21Å; A3-Q45 PolarHBondContact O-OE1 3.01Å; A3-D92 HydrophobicContact CB-CB 4.26Å | ||
| 4 | D | 94.3 | Very high | 92.2 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 51% | 0.508 | 33% | 0.33 | S | S | . | . | trans | -95.9 | 108.7 | 178.2 | -178.1 | 7.1 | 0 | 0 | 0 | 110.5 | N6 I111 | D4-N6 WeakPolarHBondContact OD1-CB 3.4Å; D4-N6 PolarHBondContact OD1-N 3.34Å; D4-N6 PolarHBondContact OD1-ND2 3.17Å; D4-I111 WeakPolarHBondContact O-CD1 3.4Å | ||
| 5 | F | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -89.8 | -1.3 | -180 | -67.4 | -97.8 | 0 | 0 | 0 | 113.6 | A3 G7 W9 I43 F50 W89 L94 Q109 I111 L116 | A3-F5 HydrophobicContact CB-CD2 4.39Å; A3-F5 HydrophobicContact CB-CE2 3.74Å; A3-F5 HydrophobicContact CB-CZ 4.28Å; A3-F5 WeakPolarHBondContact O-CD2 3.39Å; F5-G7 PolarHBondContact O-N 2.85Å; F5-W9 PolarHBondContact O-NE1 3.13Å; F5-I43 HydrophobicContact CB-CD1 4.22Å; F5-I43 HydrophobicContact CB-CG2 3.89Å; F5-I43 WeakPolarHBondContact O-CB 3.19Å; F5-F50 HydrophobicContact CB-CE1 4.13Å; F5-F50 HydrophobicContact CD2-CE1 4.15Å; F5-F50 HydrophobicContact CD2-CZ 4.35Å; F5-F50 HydrophobicContact CG-CE1 4.34Å; F5-W89 HydrophobicContact CD2-CH2 4.1Å; F5-W89 AromaticContact CE2-CH2 3.65Å; F5-W89 HydrophobicContact CE2-CH2 3.65Å; F5-W89 AromaticContact CE2-CZ3 3.67Å; F5-W89 HydrophobicContact CE2-CZ3 3.67Å; F5-W89 HydrophobicContact CZ-CZ3 4.42Å; F5-L94 HydrophobicContact CD2-CD1 4.02Å; F5-L94 HydrophobicContact CE1-CD1 4.37Å; F5-L94 HydrophobicContact CE2-CD1 3.86Å; F5-L94 HydrophobicContact CE2-CG 4.04Å; F5-L94 HydrophobicContact CG-CD1 4.37Å; F5-L94 HydrophobicContact CZ-CD1 4.03Å; F5-L94 HydrophobicContact CZ-CG 4.12Å; F5-Q109 HydrophobicContact CD1-CG 4.46Å; F5-Q109 HydrophobicContact CE1-CG 4.04Å; F5-I111 HydrophobicContact CB-CD1 4.34Å; F5-I111 HydrophobicContact CD1-CD1 3.61Å; F5-I111 HydrophobicContact CD1-CG1 3.93Å; F5-I111 HydrophobicContact CE1-CD1 3.96Å; F5-I111 HydrophobicContact CE1-CG1 3.85Å; F5-I111 HydrophobicContact CG-CD1 3.92Å; F5-L116 HydrophobicContact CD1-CD1 3.56Å; F5-L116 HydrophobicContact CE1-CD1 3.79Å | ||
| 6 | N | 98.1 | Very high | 93 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | trans | -54.3 | 131.7 | -177.6 | -81.4 | -70.1 | 0 | 0 | 0 | 112 | D4 I43 V44 Q45 K133 | D4-N6 WeakPolarHBondContact OD1-CB 3.4Å; D4-N6 PolarHBondContact OD1-N 3.34Å; D4-N6 PolarHBondContact OD1-ND2 3.17Å; N6-I43 WeakPolarHBondContact CA-O 3.43Å; N6-V44 WeakPolarHBondContact OD1-CA 3.46Å; N6-Q45 PolarHBondContact ND2-O 2.89Å; N6-Q45 PolarHBondContact OD1-N 2.82Å; N6-K133 WeakPolarHBondContact O-CE 3.45Å; N6-K133 PolarHBondContact O-NZ 2.61Å | ||
| 7 | G | 97.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 60.8 Ų | 60.8 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.4 | -174.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F5 I43 | F5-G7 PolarHBondContact O-N 2.85Å; G7-I43 PolarHBondContact N-O 3.14Å; G7-I43 PolarHBondContact O-N 2.79Å |
| 8 | Q | 98.5 | Very high | 93.5 | Very high | 74 Ų | 74 | 60.6 Ų | 60.6 | 35% | 0.346 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.8 | 173.4 | -174.5 | 171.3 | 3.1 | 0 | 0 | 109 | T40 K41 V42 K134 | Q8-T40 HydrophobicContact CG-CG2 3.54Å; Q8-K41 CarbonylContact C-O 3.58Å; Q8-K41 WeakPolarHBondContact CA-O 3.47Å; Q8-V42 HydrophobicContact CG-CG2 4.21Å; Q8-K134 HydrophobicContact CB-CB 4.37Å; Q8-K134 HydrophobicContact CB-CD 4.36Å; Q8-K134 HydrophobicContact CB-CG 4.4Å; Q8-K134 HydrophobicContact CG-CD 3.9Å; Q8-K134 HydrophobicContact CG-CG 4.22Å; Q8-K134 PolarHBondContact O-N 3.38Å |
| 9 | W | 98.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 1% | 0.011 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.1 | -172.7 | -53.1 | 89.3 | 0 | 0 | 0 | 109.3 | F5 T40 K41 I111 L116 F131 K132 K133 | F5-W9 PolarHBondContact O-NE1 3.13Å; W9-T40 CarbonylContact O-C 3.32Å; W9-T40 VanDerWaalsContact O-CA 3.28Å; W9-T40 WeakPolarHBondContact O-CA 3.32Å; W9-K41 HydrophobicContact CB-CB 4.27Å; W9-K41 PolarHBondContact N-O 3.34Å; W9-K41 PolarHBondContact O-N 3.37Å; W9-I111 HydrophobicContact CH2-CD1 3.78Å; W9-I111 HydrophobicContact CH2-CG1 4.13Å; W9-I111 HydrophobicContact CZ2-CD1 3.81Å; W9-I111 HydrophobicContact CZ2-CG1 4.48Å; W9-L116 HydrophobicContact CB-CB 4.49Å; W9-L116 HydrophobicContact CB-CD2 3.92Å; W9-L116 HydrophobicContact CD2-CB 3.64Å; W9-L116 HydrophobicContact CD2-CD2 3.95Å; W9-L116 HydrophobicContact CD2-CG 4.35Å; W9-L116 HydrophobicContact CE3-CB 3.37Å; W9-L116 HydrophobicContact CG-CB 4.15Å; W9-L116 HydrophobicContact CG-CD2 3.65Å; W9-L116 HydrophobicContact CH2-CB 4.32Å; W9-L116 HydrophobicContact CZ3-CB 3.73Å; W9-F131 HydrophobicContact CB-CB 3.66Å; W9-F131 HydrophobicContact CB-CG 4.35Å; W9-K132 CarbonylContact C-O 3.52Å; W9-K132 WeakPolarHBondContact CA-O 3.47Å; W9-K133 HydrophobicContact CD2-CB 4.38Å; W9-K133 HydrophobicContact CD2-CG 4.27Å; W9-K133 HydrophobicContact CE3-CB 3.68Å; W9-K133 HydrophobicContact CE3-CG 4.03Å; W9-K133 HydrophobicContact CH2-CB 4.09Å; W9-K133 HydrophobicContact CH2-CD 3.76Å; W9-K133 HydrophobicContact CH2-CG 3.99Å; W9-K133 HydrophobicContact CZ2-CD 4.02Å; W9-K133 HydrophobicContact CZ2-CG 4.2Å; W9-K133 HydrophobicContact CZ3-CB 3.53Å; W9-K133 HydrophobicContact CZ3-CD 4.12Å; W9-K133 HydrophobicContact CZ3-CG 3.9Å |
| 10 | V | 98.6 | Very high | 94 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 26% | 0.255 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.3 | -177.5 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | V12 T38 F131 K132 K134 | V10-V12 PolarHBondContact O-N 3.3Å; V10-T38 HydrophobicContact CG1-CG2 3.98Å; V10-F131 CarbonylContact O-C 3.5Å; V10-F131 WeakPolarHBondContact O-CA 3.49Å; V10-K132 PolarHBondContact N-O 3.14Å; V10-K132 PolarHBondContact O-N 3.28Å; V10-K134 HydrophobicContact CG2-CD 4.1Å; V10-K134 HydrophobicContact CG2-CG 3.72Å |
| 11 | M | 98.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 133.7 | -178.4 | 179.5 | 178.3 | -88 | 0 | 0 | 111.5 | N14 T38 Q39 Q129 F131 | M11-N14 HydrophobicContact CE-CB 3.98Å; M11-N14 HydrophobicContact CG-CB 4.41Å; M11-N14 HydrophobicContact SD-CB 3.71Å; M11-T38 HydrophobicContact CB-CG2 4.08Å; M11-Q39 HydrophobicContact CB-CB 4.44Å; M11-Q39 WeakPolarHBondContact CB-O 3.46Å; M11-Q39 HydrophobicContact CE-CB 3.72Å; M11-Q39 HydrophobicContact CE-CG 3.75Å; M11-Q39 PolarHBondContact N-O 2.91Å; M11-Q39 HydrophobicContact SD-CB 4.17Å; M11-Q39 HydrophobicContact SD-CG 4.23Å; M11-Q129 HydrophobicContact CE-CB 4.49Å; M11-Q129 HydrophobicContact CE-CG 4.16Å; M11-F131 VanDerWaalsContact CA-CD1 3.45Å; M11-F131 HydrophobicContact CB-CD1 3.76Å; M11-F131 HydrophobicContact CB-CE1 3.7Å; M11-F131 HydrophobicContact CB-CZ 4.49Å; M11-F131 HydrophobicContact CE-CE1 3.96Å; M11-F131 HydrophobicContact CE-CZ 3.75Å; M11-F131 HydrophobicContact CG-CE1 4.37Å; M11-F131 VanDerWaalsContact N-CD1 3.31Å |
| 12 | V | 98.1 | Very high | 96.3 | Very high | 92 Ų | 92 | 51.2 Ų | 51.2 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -44.4 | 176.1 | -175.3 | 0 | 0 | 0 | 0 | 110 | V10 V130 K132 | V10-V12 PolarHBondContact O-N 3.3Å; V12-V130 PolarHBondContact N-O 3.05Å; V12-K132 HydrophobicContact CG2-CB 3.69Å |
| 13 | T | 98.2 | Very high | 97.5 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 151.2 | 177.6 | 65.4 | 0 | 0 | 0 | 0 | 111 | Q129 V130 | T13-Q129 WeakPolarHBondContact O-CA 3.46Å; T13-V130 PolarHBondContact N-O 3.08Å; T13-V130 PolarHBondContact O-N 3.25Å; T13-V130 VanDerWaalsContact O-N 3.14Å; T13-V130 WeakPolarHBondContact OG1-CB 3.39Å; T13-V130 WeakPolarHBondContact OG1-CG2 3.45Å |
| 14 | N | 98.2 | Very high | 97.9 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 92.6 | 179.9 | -170.3 | 18 | 0 | 0 | 0 | 109.3 | M11 F17 Q129 | M11-N14 HydrophobicContact CE-CB 3.98Å; M11-N14 HydrophobicContact CG-CB 4.41Å; M11-N14 HydrophobicContact SD-CB 3.71Å; N14-F17 WeakPolarHBondContact ND2-CD1 3.49Å; N14-F17 VanDerWaalsContact OD1-CB 3.31Å; N14-F17 WeakPolarHBondContact OD1-CB 3.35Å; N14-Q129 VanDerWaalsContact OD1-CG 3.3Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.43Å; N14-Q129 PolarHBondContact OD1-NE2 3.01Å |
| 15 | E | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 48 Ų | 48 | 53% | 0.533 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.5 | -172.8 | -63.2 | 177.4 | -173.9 | 0 | 0 | 110.3 | F17 C127 K128 | E15-F17 VanDerWaalsContact C-N 3.29Å; E15-F17 PolarHBondContact O-N 2.94Å; E15-C127 WeakPolarHBondContact O-CA 3.34Å; E15-C127 WeakPolarHBondContact O-CB 3.32Å; E15-C127 PolarHBondContact O-SG 3.42Å; E15-K128 HydrophobicContact CB-CB 4.41Å; E15-K128 PolarHBondContact N-O 2.79Å; E15-K128 PolarHBondContact O-N 2.82Å |
| 16 | N | 97.6 | Very high | 98 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 63.9 | 24.2 | 174.5 | -152.3 | 38.3 | 0 | 0 | 0 | 116.2 | E18 D19 I20 V126 | N16-E18 VanDerWaalsContact C-N 3.34Å; N16-E18 PolarHBondContact O-N 2.85Å; N16-D19 PolarHBondContact O-N 2.94Å; N16-D19 WeakPolarHBondContact OD1-CB 3.3Å; N16-D19 PolarHBondContact OD1-OD2 3.16Å; N16-I20 PolarHBondContact O-N 2.85Å; N16-V126 WeakPolarHBondContact CB-O 3.33Å; N16-V126 PolarHBondContact ND2-O 3.3Å |
| 17 | F | 97.9 | Very high | 98 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.2 | -33.2 | 180 | -169.4 | -132.9 | 0 | 0 | 0 | 113.8 | N14 E15 D19 I20 M21 A34 | N14-F17 WeakPolarHBondContact ND2-CD1 3.49Å; N14-F17 VanDerWaalsContact OD1-CB 3.31Å; N14-F17 WeakPolarHBondContact OD1-CB 3.35Å; E15-F17 VanDerWaalsContact C-N 3.29Å; E15-F17 PolarHBondContact O-N 2.94Å; F17-D19 VanDerWaalsContact C-N 3.28Å; F17-D19 PolarHBondContact O-N 2.75Å; F17-I20 PolarHBondContact O-N 2.83Å; F17-M21 HydrophobicContact CD1-CE 3.55Å; F17-M21 HydrophobicContact CD1-SD 4.13Å; F17-M21 HydrophobicContact CD2-CG 4.48Å; F17-M21 HydrophobicContact CE1-CE 3.72Å; F17-M21 HydrophobicContact CE1-CG 4.33Å; F17-M21 HydrophobicContact CE1-SD 3.68Å; F17-M21 HydrophobicContact CE2-CG 4.2Å; F17-M21 HydrophobicContact CG-CE 4.14Å; F17-M21 HydrophobicContact CZ-CE 4.42Å; F17-M21 HydrophobicContact CZ-CG 4.11Å; F17-M21 HydrophobicContact CZ-SD 3.91Å; F17-M21 WeakPolarHBondContact O-CG 3.19Å; F17-M21 PolarHBondContact O-N 2.84Å; F17-A34 HydrophobicContact CE1-CB 4.11Å |
| 18 | E | 97.9 | Very high | 97.9 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 176.9 | -169.6 | 165.3 | -179.8 | 0 | 0 | 111.5 | N16 M21 K22 R31 K32 | N16-E18 VanDerWaalsContact C-N 3.34Å; N16-E18 PolarHBondContact O-N 2.85Å; E18-M21 PolarHBondContact O-N 2.79Å; E18-K22 WeakPolarHBondContact O-CB 3.3Å; E18-K22 PolarHBondContact O-N 2.88Å; E18-R31 HydrophobicContact CG-CB 4.35Å; E18-R31 IonicContact OE1-NE 3.97Å; E18-K32 WeakPolarHBondContact OE1-CE 3.48Å; E18-K32 IonicContact OE1-NZ 2.85Å; E18-K32 PolarHBondContact OE1-NZ 2.77Å; E18-K32 IonicContact OE2-NZ 2.8Å; E18-K32 PolarHBondContact OE2-NZ 2.81Å |
| 19 | D | 98.1 | Very high | 97.7 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 32% | 0.321 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | -179.3 | -81.5 | 5.7 | 0 | 0 | 0 | 112 | N16 F17 K22 A23 K125 | N16-D19 PolarHBondContact O-N 2.94Å; N16-D19 WeakPolarHBondContact OD1-CB 3.3Å; N16-D19 PolarHBondContact OD1-OD2 3.16Å; F17-D19 VanDerWaalsContact C-N 3.28Å; F17-D19 PolarHBondContact O-N 2.75Å; D19-K22 PolarHBondContact O-N 3.06Å; D19-A23 WeakPolarHBondContact O-CB 3.44Å; D19-A23 PolarHBondContact O-N 2.93Å; D19-K125 HydrophobicContact CB-CD 4.47Å |
| 20 | I | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -51.6 | 171.4 | -71.8 | -54.6 | 0 | 0 | 0 | 110.2 | N16 F17 K22 A23 I24 I120 V122 K125 C127 | N16-I20 PolarHBondContact O-N 2.85Å; F17-I20 PolarHBondContact O-N 2.83Å; I20-K22 PolarHBondContact O-N 2.87Å; I20-A23 WeakPolarHBondContact O-CB 3.47Å; I20-A23 PolarHBondContact O-N 2.83Å; I20-A23 VanDerWaalsContact O-N 3.08Å; I20-I24 WeakPolarHBondContact O-CG1 3.4Å; I20-I24 PolarHBondContact O-N 3.09Å; I20-I24 VanDerWaalsContact O-N 3.13Å; I20-I120 HydrophobicContact CG2-CG2 4.03Å; I20-V122 HydrophobicContact CD1-CB 4.33Å; I20-V122 HydrophobicContact CD1-CG2 4.21Å; I20-V122 HydrophobicContact CG2-CG2 4.27Å; I20-K125 HydrophobicContact CD1-CB 3.76Å; I20-C127 HydrophobicContact CB-CB 4.29Å; I20-C127 HydrophobicContact CD1-CB 4.33Å; I20-C127 HydrophobicContact CG1-CB 3.31Å |
| 21 | M | 97.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -35.1 | -178.9 | -72.5 | -170.3 | -70.5 | 0 | 0 | 112.2 | F17 E18 I24 D25 I26 R31 A34 C35 | F17-M21 HydrophobicContact CD1-CE 3.55Å; F17-M21 HydrophobicContact CD1-SD 4.13Å; F17-M21 HydrophobicContact CD2-CG 4.48Å; F17-M21 HydrophobicContact CE1-CE 3.72Å; F17-M21 HydrophobicContact CE1-CG 4.33Å; F17-M21 HydrophobicContact CE1-SD 3.68Å; F17-M21 HydrophobicContact CE2-CG 4.2Å; F17-M21 HydrophobicContact CG-CE 4.14Å; F17-M21 HydrophobicContact CZ-CE 4.42Å; F17-M21 HydrophobicContact CZ-CG 4.11Å; F17-M21 HydrophobicContact CZ-SD 3.91Å; F17-M21 WeakPolarHBondContact O-CG 3.19Å; F17-M21 PolarHBondContact O-N 2.84Å; E18-M21 PolarHBondContact O-N 2.79Å; M21-I24 WeakPolarHBondContact O-CG1 3.27Å; M21-D25 PolarHBondContact O-N 3.3Å; M21-I26 HydrophobicContact CB-CB 4.01Å; M21-I26 HydrophobicContact CB-CG1 4.06Å; M21-I26 HydrophobicContact CB-CG2 4.5Å; M21-I26 HydrophobicContact CG-CG1 4.38Å; M21-I26 VanDerWaalsContact O-CB 3.31Å; M21-I26 WeakPolarHBondContact O-CB 3.37Å; M21-I26 WeakPolarHBondContact O-CG1 3.15Å; M21-I26 PolarHBondContact O-N 2.85Å; M21-R31 HydrophobicContact CB-CG 3.7Å; M21-R31 HydrophobicContact CE-CB 3.98Å; M21-R31 HydrophobicContact CE-CG 4.2Å; M21-R31 WeakPolarHBondContact CE-O 3.27Å; M21-R31 HydrophobicContact SD-CG 4.3Å; M21-A34 HydrophobicContact CE-CB 3.96Å; M21-A34 HydrophobicContact SD-CB 3.64Å; M21-C35 WeakPolarHBondContact CE-SG 3.12Å |
| 22 | K | 98.1 | Very high | 97.4 | Very high | 130 Ų | 130 | 57.7 Ų | 57.7 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.5 | -42.8 | 174.3 | -173.7 | -178 | 177 | -174 | 0 | 111.5 | E18 D19 I20 I24 D25 | E18-K22 WeakPolarHBondContact O-CB 3.3Å; E18-K22 PolarHBondContact O-N 2.88Å; D19-K22 PolarHBondContact O-N 3.06Å; I20-K22 PolarHBondContact O-N 2.87Å; K22-I24 VanDerWaalsContact C-N 3.25Å; K22-I24 PolarHBondContact O-N 3.23Å; K22-D25 PolarHBondContact O-N 2.83Å |
| 23 | A | 98 | Very high | 97.3 | Very high | 11 Ų | 11 | 57 Ų | 57 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -30.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D19 I20 D25 K102 V122 K125 | D19-A23 WeakPolarHBondContact O-CB 3.44Å; D19-A23 PolarHBondContact O-N 2.93Å; I20-A23 WeakPolarHBondContact O-CB 3.47Å; I20-A23 PolarHBondContact O-N 2.83Å; I20-A23 VanDerWaalsContact O-N 3.08Å; A23-D25 VanDerWaalsContact C-N 3.35Å; A23-K102 WeakPolarHBondContact O-CD 3.31Å; A23-K102 WeakPolarHBondContact O-CE 3.28Å; A23-K102 PolarHBondContact O-NZ 2.74Å; A23-V122 HydrophobicContact CB-CB 4.33Å; A23-V122 HydrophobicContact CB-CG1 4.21Å; A23-K125 HydrophobicContact CB-CG 4.19Å |
| 24 | I | 97.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 16.5 | 174.3 | 63.1 | 171.4 | 0 | 0 | 0 | 113.7 | I20 M21 K22 I26 D79 R81 K102 V122 | I20-I24 WeakPolarHBondContact O-CG1 3.4Å; I20-I24 PolarHBondContact O-N 3.09Å; I20-I24 VanDerWaalsContact O-N 3.13Å; M21-I24 WeakPolarHBondContact O-CG1 3.27Å; K22-I24 VanDerWaalsContact C-N 3.25Å; K22-I24 PolarHBondContact O-N 3.23Å; I24-I26 HydrophobicContact CD1-CD1 4.42Å; I24-I26 HydrophobicContact CD1-CG1 3.99Å; I24-I26 HydrophobicContact CG1-CG1 3.89Å; I24-I26 PolarHBondContact O-N 3.32Å; I24-D79 HydrophobicContact CB-CB 4.18Å; I24-D79 HydrophobicContact CD1-CB 4.06Å; I24-D79 HydrophobicContact CG1-CB 4.27Å; I24-D79 WeakPolarHBondContact O-CB 3.45Å; I24-R81 PolarHBondContact O-NH1 2.76Å; I24-K102 HydrophobicContact CG2-CG 4.44Å; I24-V122 HydrophobicContact CG2-CB 4.35Å; I24-V122 HydrophobicContact CG2-CG1 3.79Å; I24-V122 HydrophobicContact CG2-CG2 3.89Å |
| 25 | D | 97.3 | Very high | 97 | Very high | 97 Ų | 97 | 55 Ų | 55 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 26.7 | 174.1 | -43.9 | -59.3 | 0 | 0 | 0 | 116.2 | M21 K22 A23 R81 K102 | M21-D25 PolarHBondContact O-N 3.3Å; K22-D25 PolarHBondContact O-N 2.83Å; A23-D25 VanDerWaalsContact C-N 3.35Å; D25-R81 IonicContact OD2-CZ 3.66Å; D25-R81 IonicContact OD2-NH1 2.84Å; D25-R81 IonicContact OD2-NH2 2.74Å; D25-R81 PolarHBondContact OD2-NH2 2.89Å; D25-K102 VanDerWaalsContact CG-NZ 3.34Å; D25-K102 IonicContact OD1-NZ 2.98Å; D25-K102 PolarHBondContact OD1-NZ 2.84Å; D25-K102 WeakPolarHBondContact OD2-CE 3.23Å; D25-K102 IonicContact OD2-NZ 3.49Å; D25-K102 PolarHBondContact OD2-NZ 2.85Å |
| 26 | I | 96.9 | Very high | 96.9 | Very high | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | trans | -66.4 | 135.5 | 170.3 | -60.1 | -66.2 | 0 | 0 | 0 | 109.3 | M21 I24 T30 R31 L78 D79 | M21-I26 HydrophobicContact CB-CB 4.01Å; M21-I26 HydrophobicContact CB-CG1 4.06Å; M21-I26 HydrophobicContact CB-CG2 4.5Å; M21-I26 HydrophobicContact CG-CG1 4.38Å; M21-I26 VanDerWaalsContact O-CB 3.31Å; M21-I26 WeakPolarHBondContact O-CB 3.37Å; M21-I26 WeakPolarHBondContact O-CG1 3.15Å; M21-I26 PolarHBondContact O-N 2.85Å; I24-I26 HydrophobicContact CD1-CD1 4.42Å; I24-I26 HydrophobicContact CD1-CG1 3.99Å; I24-I26 HydrophobicContact CG1-CG1 3.89Å; I24-I26 PolarHBondContact O-N 3.32Å; I26-T30 HydrophobicContact CG2-CG2 3.46Å; I26-T30 VanDerWaalsContact CG2-CG2 3.46Å; I26-R31 HydrophobicContact CB-CG 3.93Å; I26-R31 HydrophobicContact CG2-CG 3.68Å; I26-R31 PolarHBondContact O-NH1 3.28Å; I26-L78 WeakPolarHBondContact CD1-O 3.44Å; I26-D79 HydrophobicContact CD1-CB 3.99Å | ||
| 27 | D | 96.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 55 Ų | 55 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | trans | -64.3 | 154.8 | -178.8 | 74.7 | 87.4 | 0 | 0 | 0 | 113.3 | A29 T30 R31 | D27-A29 VanDerWaalsContact C-N 3.32Å; D27-A29 PolarHBondContact O-N 3.04Å; D27-A29 WeakPolarHBondContact OD1-CB 3.41Å; D27-A29 PolarHBondContact OD1-N 2.98Å; D27-T30 PolarHBondContact O-N 3.03Å; D27-T30 PolarHBondContact OD1-N 2.82Å; D27-T30 PolarHBondContact OD1-OG1 2.81Å; D27-T30 WeakPolarHBondContact OD2-CB 3.32Å; D27-T30 PolarHBondContact OD2-OG1 2.96Å; D27-R31 WeakPolarHBondContact O-CG 3.3Å; D27-R31 PolarHBondContact O-N 3.33Å | ||
| 28 | F | 95.6 | Very high | 96.8 | Very high | 127 Ų | 127 | 57.9 Ų | 57.9 | 56% | 0.557 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -56.5 | -40.8 | -174.2 | 177.6 | -102.8 | 0 | 0 | 0 | 113.8 | R31 K32 | F28-R31 PolarHBondContact O-N 2.93Å; F28-K32 HydrophobicContact CD2-CG 4.46Å; F28-K32 HydrophobicContact CE1-CG 4.11Å; F28-K32 HydrophobicContact CE2-CD 4.33Å; F28-K32 HydrophobicContact CE2-CG 4.06Å; F28-K32 HydrophobicContact CZ-CD 4.34Å; F28-K32 HydrophobicContact CZ-CG 3.88Å; F28-K32 WeakPolarHBondContact O-CG 3.31Å; F28-K32 PolarHBondContact O-N 2.81Å; F28-K32 VanDerWaalsContact O-N 3.08Å |
| 29 | A | 96.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 49% | 0.488 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.2 | -46.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D27 R31 K32 I33 | D27-A29 VanDerWaalsContact C-N 3.32Å; D27-A29 PolarHBondContact O-N 3.04Å; D27-A29 WeakPolarHBondContact OD1-CB 3.41Å; D27-A29 PolarHBondContact OD1-N 2.98Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.87Å; A29-K32 PolarHBondContact O-N 2.92Å; A29-I33 WeakPolarHBondContact O-CG1 3.29Å; A29-I33 PolarHBondContact O-N 2.73Å; A29-I33 VanDerWaalsContact O-N 3.14Å |
| 30 | T | 96.1 | Very high | 96.8 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 175.1 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | I26 D27 K32 I33 A34 F58 | I26-T30 HydrophobicContact CG2-CG2 3.46Å; I26-T30 VanDerWaalsContact CG2-CG2 3.46Å; D27-T30 PolarHBondContact O-N 3.03Å; D27-T30 PolarHBondContact OD1-N 2.82Å; D27-T30 PolarHBondContact OD1-OG1 2.81Å; D27-T30 WeakPolarHBondContact OD2-CB 3.32Å; D27-T30 PolarHBondContact OD2-OG1 2.96Å; T30-K32 PolarHBondContact O-N 3.02Å; T30-I33 PolarHBondContact O-N 3.05Å; T30-A34 VanDerWaalsContact O-CB 3.3Å; T30-A34 WeakPolarHBondContact O-CB 3.44Å; T30-A34 PolarHBondContact O-N 2.95Å; T30-F58 HydrophobicContact CG2-CE1 4.3Å |
| 31 | R | 96.9 | Very high | 96.8 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 178 | -66.2 | -162.5 | -48.3 | -92 | 4.1 | 112.3 | E18 M21 I26 D27 F28 A29 I33 A34 C35 | E18-R31 HydrophobicContact CG-CB 4.35Å; E18-R31 IonicContact OE1-NE 3.97Å; M21-R31 HydrophobicContact CB-CG 3.7Å; M21-R31 HydrophobicContact CE-CB 3.98Å; M21-R31 HydrophobicContact CE-CG 4.2Å; M21-R31 WeakPolarHBondContact CE-O 3.27Å; M21-R31 HydrophobicContact SD-CG 4.3Å; I26-R31 HydrophobicContact CB-CG 3.93Å; I26-R31 HydrophobicContact CG2-CG 3.68Å; I26-R31 PolarHBondContact O-NH1 3.28Å; D27-R31 WeakPolarHBondContact O-CG 3.3Å; D27-R31 PolarHBondContact O-N 3.33Å; F28-R31 PolarHBondContact O-N 2.93Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.87Å; R31-I33 PolarHBondContact O-N 2.97Å; R31-A34 PolarHBondContact O-N 2.7Å; R31-C35 PolarHBondContact O-N 3.12Å; R31-C35 PolarHBondContact O-SG 3.17Å |
| 32 | K | 95.3 | Very high | 96.8 | Very high | 80 Ų | 80 | 57 Ų | 57 | 35% | 0.348 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | -179.4 | -71.4 | -55.5 | -178.6 | -160.9 | 0 | 112.5 | E18 F28 A29 T30 H36 | E18-K32 WeakPolarHBondContact OE1-CE 3.48Å; E18-K32 IonicContact OE1-NZ 2.85Å; E18-K32 PolarHBondContact OE1-NZ 2.77Å; E18-K32 IonicContact OE2-NZ 2.8Å; E18-K32 PolarHBondContact OE2-NZ 2.81Å; F28-K32 HydrophobicContact CD2-CG 4.46Å; F28-K32 HydrophobicContact CE1-CG 4.11Å; F28-K32 HydrophobicContact CE2-CD 4.33Å; F28-K32 HydrophobicContact CE2-CG 4.06Å; F28-K32 HydrophobicContact CZ-CD 4.34Å; F28-K32 HydrophobicContact CZ-CG 3.88Å; F28-K32 WeakPolarHBondContact O-CG 3.31Å; F28-K32 PolarHBondContact O-N 2.81Å; F28-K32 VanDerWaalsContact O-N 3.08Å; A29-K32 PolarHBondContact O-N 2.92Å; T30-K32 PolarHBondContact O-N 3.02Å; K32-H36 PolarHBondContact O-ND1 2.96Å |
| 33 | I | 96 | Very high | 96.9 | Very high | 78 Ų | 78 | 51 Ų | 51 | 40% | 0.4 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.9 | -53.6 | 174.5 | -64.6 | 168.1 | 0 | 0 | 0 | 109.7 | A29 T30 R31 C35 H36 L37 F58 | A29-I33 WeakPolarHBondContact O-CG1 3.29Å; A29-I33 PolarHBondContact O-N 2.73Å; A29-I33 VanDerWaalsContact O-N 3.14Å; T30-I33 PolarHBondContact O-N 3.05Å; R31-I33 PolarHBondContact O-N 2.97Å; I33-C35 VanDerWaalsContact C-N 3.3Å; I33-C35 PolarHBondContact O-N 2.61Å; I33-H36 PolarHBondContact O-N 3.19Å; I33-L37 HydrophobicContact CG2-CD1 4.38Å; I33-L37 WeakPolarHBondContact O-CG 3.14Å; I33-F58 HydrophobicContact CD1-CZ 4.48Å; I33-F58 HydrophobicContact CG2-CB 4.44Å; I33-F58 HydrophobicContact CG2-CD1 4.17Å; I33-F58 HydrophobicContact CG2-CD2 4.29Å; I33-F58 HydrophobicContact CG2-CG 4.06Å |
| 34 | A | 95.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -32.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | F17 M21 T30 R31 H36 L37 | F17-A34 HydrophobicContact CE1-CB 4.11Å; M21-A34 HydrophobicContact CE-CB 3.96Å; M21-A34 HydrophobicContact SD-CB 3.64Å; T30-A34 VanDerWaalsContact O-CB 3.3Å; T30-A34 WeakPolarHBondContact O-CB 3.44Å; T30-A34 PolarHBondContact O-N 2.95Å; R31-A34 PolarHBondContact O-N 2.7Å; A34-H36 PolarHBondContact O-N 3.38Å; A34-L37 PolarHBondContact O-N 2.83Å |
| 35 | C | 95.2 | Very high | 96.9 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 27% | 0.27 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.8 | 176.9 | -67.7 | 0 | 0 | 0 | 0 | 114 | M21 R31 I33 | M21-C35 WeakPolarHBondContact CE-SG 3.12Å; R31-C35 PolarHBondContact O-N 3.12Å; R31-C35 PolarHBondContact O-SG 3.17Å; I33-C35 VanDerWaalsContact C-N 3.3Å; I33-C35 PolarHBondContact O-N 2.61Å |
| 36 | H | 94.8 | Very high | 96.9 | Very high | 158 Ų | 158 | 54 Ų | 54 | 73% | 0.731 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 3.9 | -179.2 | -64.9 | 85.4 | 0 | 0 | 0 | 112.9 | K32 I33 A34 | K32-H36 PolarHBondContact O-ND1 2.96Å; I33-H36 PolarHBondContact O-N 3.19Å; A34-H36 PolarHBondContact O-N 3.38Å |
| 37 | L | 96.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 134.3 | -178.6 | -56.5 | -178.4 | 0 | 0 | 0 | 111.2 | I33 A34 T57 F58 | I33-L37 HydrophobicContact CG2-CD1 4.38Å; I33-L37 WeakPolarHBondContact O-CG 3.14Å; A34-L37 PolarHBondContact O-N 2.83Å; L37-T57 WeakPolarHBondContact CD2-OG1 3.38Å; L37-F58 HydrophobicContact CD1-CB 3.35Å; L37-F58 HydrophobicContact CD1-CG 4.33Å |
| 38 | T | 97.4 | Very high | 96.9 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 124.4 | 163.6 | -53.2 | 0 | 0 | 0 | 0 | 109.1 | V10 M11 | V10-T38 HydrophobicContact CG1-CG2 3.98Å; M11-T38 HydrophobicContact CB-CG2 4.08Å |
| 39 | Q | 98.1 | Very high | 97 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 149.4 | 175 | -59.5 | 179 | -2.4 | 0 | 0 | 111.2 | M11 T54 L55 F131 | M11-Q39 HydrophobicContact CB-CB 4.44Å; M11-Q39 WeakPolarHBondContact CB-O 3.46Å; M11-Q39 HydrophobicContact CE-CB 3.72Å; M11-Q39 HydrophobicContact CE-CG 3.75Å; M11-Q39 PolarHBondContact N-O 2.91Å; M11-Q39 HydrophobicContact SD-CB 4.17Å; M11-Q39 HydrophobicContact SD-CG 4.23Å; Q39-T54 HydrophobicContact CB-CG2 4.23Å; Q39-T54 HydrophobicContact CG-CG2 4.43Å; Q39-L55 CarbonylContact C-O 3.56Å; Q39-L55 VanDerWaalsContact CA-O 3.31Å; Q39-L55 WeakPolarHBondContact CA-O 3.39Å; Q39-F131 HydrophobicContact CB-CE1 4.09Å |
| 40 | T | 98.6 | Very high | 97.1 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 15% | 0.153 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.9 | 169.5 | -66.3 | 0 | 0 | 0 | 0 | 109.1 | Q8 W9 V42 L55 | Q8-T40 HydrophobicContact CG-CG2 3.54Å; W9-T40 CarbonylContact O-C 3.32Å; W9-T40 VanDerWaalsContact O-CA 3.28Å; W9-T40 WeakPolarHBondContact O-CA 3.32Å; T40-V42 HydrophobicContact CG2-CG2 4.46Å; T40-L55 PolarHBondContact N-O 2.77Å; T40-L55 PolarHBondContact O-N 3.44Å |
| 41 | K | 98.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 10% | 0.1 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.2 | 171.1 | -71.1 | 178.7 | 179 | -73.2 | 0 | 110.1 | Q8 W9 K53 T54 L116 L118 F131 | Q8-K41 CarbonylContact C-O 3.58Å; Q8-K41 WeakPolarHBondContact CA-O 3.47Å; W9-K41 HydrophobicContact CB-CB 4.27Å; W9-K41 PolarHBondContact N-O 3.34Å; W9-K41 PolarHBondContact O-N 3.37Å; K41-K53 CarbonylContact C-O 3.43Å; K41-K53 VanDerWaalsContact CA-O 3.27Å; K41-K53 WeakPolarHBondContact CA-O 3.35Å; K41-T54 HydrophobicContact CG-CG2 4.5Å; K41-T54 PolarHBondContact NZ-OG1 2.83Å; K41-T54 VanDerWaalsContact NZ-OG1 3.13Å; K41-L116 HydrophobicContact CD-CD2 3.96Å; K41-L118 VanDerWaalsContact CE-CD2 3.43Å; K41-F131 HydrophobicContact CD-CD1 4.42Å; K41-F131 HydrophobicContact CD-CD2 4.37Å; K41-F131 HydrophobicContact CD-CE1 4.04Å; K41-F131 HydrophobicContact CD-CE2 3.98Å; K41-F131 HydrophobicContact CD-CZ 3.83Å; K41-F131 HydrophobicContact CG-CD1 4.37Å; K41-F131 HydrophobicContact CG-CE1 3.96Å; K41-F131 HydrophobicContact CG-CZ 4.2Å |
| 42 | V | 98.7 | Very high | 97.3 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 26% | 0.255 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.3 | 168.9 | -176.9 | 0 | 0 | 0 | 0 | 106.4 | Q8 T40 T52 K53 L55 | Q8-V42 HydrophobicContact CG-CG2 4.21Å; T40-V42 HydrophobicContact CG2-CG2 4.46Å; V42-T52 WeakPolarHBondContact O-CA 3.39Å; V42-K53 HydrophobicContact CB-CB 4.32Å; V42-K53 PolarHBondContact N-O 2.87Å; V42-K53 PolarHBondContact O-N 2.79Å; V42-L55 HydrophobicContact CG2-CD1 3.9Å |
| 43 | I | 98.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125.5 | -177.6 | -59.2 | 173.3 | 0 | 0 | 0 | 108 | F5 N6 G7 F50 T52 L116 | F5-I43 HydrophobicContact CB-CD1 4.22Å; F5-I43 HydrophobicContact CB-CG2 3.89Å; F5-I43 WeakPolarHBondContact O-CB 3.19Å; N6-I43 WeakPolarHBondContact CA-O 3.43Å; G7-I43 PolarHBondContact N-O 3.14Å; G7-I43 PolarHBondContact O-N 2.79Å; I43-F50 HydrophobicContact CG2-CD1 3.99Å; I43-F50 HydrophobicContact CG2-CE1 4.35Å; I43-T52 HydrophobicContact CG1-CG2 4.35Å; I43-T52 HydrophobicContact CG2-CG2 4.41Å; I43-L116 HydrophobicContact CD1-CD2 4.03Å |
| 44 | V | 98.5 | Very high | 97.5 | Very high | 60 Ų | 60 | 53.5 Ų | 53.5 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119.6 | 166.4 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | N6 F50 E51 | N6-V44 WeakPolarHBondContact OD1-CA 3.46Å; V44-F50 WeakPolarHBondContact O-CA 3.23Å; V44-E51 HydrophobicContact CB-CB 4.31Å; V44-E51 PolarHBondContact N-O 2.79Å; V44-E51 PolarHBondContact O-N 2.88Å |
| 45 | Q | 97.9 | Very high | 97.6 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.3 | -178.3 | 174.7 | -175.4 | -4 | 0 | 0 | 109.6 | A3 N6 G47 F50 | A3-Q45 PolarHBondContact O-NE2 3.21Å; A3-Q45 PolarHBondContact O-OE1 3.01Å; N6-Q45 PolarHBondContact ND2-O 2.89Å; N6-Q45 PolarHBondContact OD1-N 2.82Å; Q45-G47 VanDerWaalsContact CG-O 3.3Å; Q45-G47 WeakPolarHBondContact CG-O 3.31Å; Q45-G47 PolarHBondContact NE2-O 2.8Å; Q45-F50 HydrophobicContact CB-CD1 4.06Å; Q45-F50 HydrophobicContact CB-CE1 3.8Å; Q45-F50 HydrophobicContact CB-CZ 4.15Å; Q45-F50 HydrophobicContact CG-CD1 4.21Å; Q45-F50 HydrophobicContact CG-CD2 4.4Å; Q45-F50 HydrophobicContact CG-CE1 3.64Å; Q45-F50 HydrophobicContact CG-CE2 3.84Å; Q45-F50 HydrophobicContact CG-CZ 3.44Å; Q45-F50 VanDerWaalsContact CG-CZ 3.44Å |
| 46 | N | 97.4 | Very high | 97.7 | Very high | 106 Ų | 106 | 54.8 Ų | 54.8 | 57% | 0.567 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 85.2 | 176.5 | -68.1 | -45.5 | 0 | 0 | 0 | 109.1 | D48 K49 | N46-D48 PolarHBondContact O-N 2.93Å; N46-K49 PolarHBondContact N-O 3.08Å; N46-K49 PolarHBondContact O-N 2.88Å; N46-K49 VanDerWaalsContact O-N 3.13Å |
| 47 | G | 95.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 57% | 0.567 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -119.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q45 | Q45-G47 VanDerWaalsContact CG-O 3.3Å; Q45-G47 WeakPolarHBondContact CG-O 3.31Å; Q45-G47 PolarHBondContact NE2-O 2.8Å |
| 48 | D | 96.9 | Very high | 97.6 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.6 | 176.1 | -68.3 | -43.1 | 0 | 0 | 0 | 113.6 | N46 F50 T66 V67 W89 | N46-D48 PolarHBondContact O-N 2.93Å; D48-F50 WeakPolarHBondContact O-CD2 3.47Å; D48-T66 HydrophobicContact CB-CG2 4.27Å; D48-T66 CarbonylContact O-C 3.59Å; D48-T66 VanDerWaalsContact O-CA 3.3Å; D48-T66 WeakPolarHBondContact O-CA 3.33Å; D48-V67 HydrophobicContact CB-CB 4.03Å; D48-V67 HydrophobicContact CB-CG2 4.38Å; D48-V67 PolarHBondContact O-N 3.05Å; D48-W89 PolarHBondContact OD1-NE1 3.4Å |
| 49 | K | 98.2 | Very high | 97.4 | Very high | 138 Ų | 138 | 57.1 Ų | 57.1 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.6 | 175.7 | -65.3 | -175.4 | 178.2 | -175.1 | 0 | 110.2 | N46 T66 | N46-K49 PolarHBondContact N-O 3.08Å; N46-K49 PolarHBondContact O-N 2.88Å; N46-K49 VanDerWaalsContact O-N 3.13Å; K49-T66 HydrophobicContact CG-CG2 4.23Å |
| 50 | F | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132 | -179.8 | -75.4 | -104.4 | 0 | 0 | 0 | 110.6 | F5 I43 V44 Q45 D48 T52 N64 F65 V67 W89 L94 | F5-F50 HydrophobicContact CB-CE1 4.13Å; F5-F50 HydrophobicContact CD2-CE1 4.15Å; F5-F50 HydrophobicContact CD2-CZ 4.35Å; F5-F50 HydrophobicContact CG-CE1 4.34Å; I43-F50 HydrophobicContact CG2-CD1 3.99Å; I43-F50 HydrophobicContact CG2-CE1 4.35Å; V44-F50 WeakPolarHBondContact O-CA 3.23Å; Q45-F50 HydrophobicContact CB-CD1 4.06Å; Q45-F50 HydrophobicContact CB-CE1 3.8Å; Q45-F50 HydrophobicContact CB-CZ 4.15Å; Q45-F50 HydrophobicContact CG-CD1 4.21Å; Q45-F50 HydrophobicContact CG-CD2 4.4Å; Q45-F50 HydrophobicContact CG-CE1 3.64Å; Q45-F50 HydrophobicContact CG-CE2 3.84Å; Q45-F50 HydrophobicContact CG-CZ 3.44Å; Q45-F50 VanDerWaalsContact CG-CZ 3.44Å; D48-F50 WeakPolarHBondContact O-CD2 3.47Å; F50-T52 HydrophobicContact CB-CG2 4.2Å; F50-N64 CarbonylContact O-C 3.48Å; F50-N64 VanDerWaalsContact O-CA 3.22Å; F50-N64 WeakPolarHBondContact O-CA 3.22Å; F50-F65 HydrophobicContact CB-CD1 4.21Å; F50-F65 HydrophobicContact CB-CD2 4Å; F50-F65 HydrophobicContact CB-CE1 3.81Å; F50-F65 HydrophobicContact CB-CE2 3.57Å; F50-F65 HydrophobicContact CB-CG 4.3Å; F50-F65 HydrophobicContact CB-CZ 3.47Å; F50-F65 VanDerWaalsContact CB-CZ 3.47Å; F50-F65 HydrophobicContact CD1-CE2 4.39Å; F50-F65 HydrophobicContact CD1-CZ 4.09Å; F50-F65 HydrophobicContact CD2-CD2 4.3Å; F50-F65 AromaticContact CD2-CE2 3.64Å; F50-F65 HydrophobicContact CD2-CE2 3.64Å; F50-F65 HydrophobicContact CD2-CZ 4.16Å; F50-F65 HydrophobicContact CE2-CE2 4.43Å; F50-F65 HydrophobicContact CG-CD2 4.4Å; F50-F65 HydrophobicContact CG-CE1 4.46Å; F50-F65 AromaticContact CG-CE2 3.61Å; F50-F65 HydrophobicContact CG-CE2 3.61Å; F50-F65 AromaticContact CG-CZ 3.66Å; F50-F65 HydrophobicContact CG-CZ 3.66Å; F50-F65 PolarHBondContact N-O 3.31Å; F50-F65 PolarHBondContact O-N 2.86Å; F50-V67 HydrophobicContact CD2-CG2 3.83Å; F50-V67 HydrophobicContact CE2-CG2 3.56Å; F50-W89 HydrophobicContact CE2-CZ2 4.1Å; F50-W89 HydrophobicContact CZ-CH2 4.04Å; F50-W89 AromaticContact CZ-CZ2 3.91Å; F50-W89 HydrophobicContact CZ-CZ2 3.91Å; F50-L94 HydrophobicContact CD1-CD1 4.38Å; F50-L94 HydrophobicContact CE1-CD1 3.68Å; F50-L94 HydrophobicContact CE2-CD2 4.5Å; F50-L94 HydrophobicContact CZ-CD1 3.75Å; F50-L94 HydrophobicContact CZ-CD2 4.31Å |
| 51 | E | 98.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.3 | 164.2 | -61.5 | 175.1 | -157.1 | 0 | 0 | 108 | V44 N64 | V44-E51 HydrophobicContact CB-CB 4.31Å; V44-E51 PolarHBondContact N-O 2.79Å; V44-E51 PolarHBondContact O-N 2.88Å; E51-N64 VanDerWaalsContact CA-OD1 3.23Å; E51-N64 WeakPolarHBondContact CA-OD1 3.27Å |
| 52 | T | 98.4 | Very high | 97.1 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 10% | 0.104 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 138.9 | -174.3 | 79.7 | 0 | 0 | 0 | 0 | 111.9 | V42 I43 F50 E62 V63 N64 F65 | V42-T52 WeakPolarHBondContact O-CA 3.39Å; I43-T52 HydrophobicContact CG1-CG2 4.35Å; I43-T52 HydrophobicContact CG2-CG2 4.41Å; F50-T52 HydrophobicContact CB-CG2 4.2Å; T52-E62 WeakPolarHBondContact O-CA 3.31Å; T52-V63 WeakPolarHBondContact CB-O 3.46Å; T52-V63 PolarHBondContact N-O 3.16Å; T52-V63 VanDerWaalsContact N-O 3.12Å; T52-V63 PolarHBondContact O-N 2.88Å; T52-V63 WeakPolarHBondContact OG1-CG1 3.2Å; T52-V63 PolarHBondContact OG1-O 2.75Å; T52-N64 PolarHBondContact N-OD1 3.44Å; T52-F65 HydrophobicContact CG2-CE1 3.96Å; T52-F65 HydrophobicContact CG2-CZ 4.49Å |
| 53 | K | 98.3 | Very high | 97 | Very high | 77 Ų | 77 | 63.6 Ų | 63.6 | 34% | 0.335 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.3 | 174.9 | -50.2 | -171.5 | 177.2 | -133.2 | 0 | 109.1 | K41 V42 L55 Y61 E62 | K41-K53 CarbonylContact C-O 3.43Å; K41-K53 VanDerWaalsContact CA-O 3.27Å; K41-K53 WeakPolarHBondContact CA-O 3.35Å; V42-K53 HydrophobicContact CB-CB 4.32Å; V42-K53 PolarHBondContact N-O 2.87Å; V42-K53 PolarHBondContact O-N 2.79Å; K53-L55 HydrophobicContact CB-CD2 4.09Å; K53-L55 HydrophobicContact CB-CG 4.4Å; K53-Y61 CarbonylContact C-O 3.59Å; K53-E62 HydrophobicContact CB-CG 4.3Å; K53-E62 HydrophobicContact CD-CG 4.32Å; K53-E62 WeakPolarHBondContact CD-OE1 3.49Å; K53-E62 WeakPolarHBondContact CE-OE1 3.31Å; K53-E62 HydrophobicContact CG-CG 3.91Å; K53-E62 VanDerWaalsContact NZ-CD 3.26Å; K53-E62 IonicContact NZ-OE1 2.61Å; K53-E62 PolarHBondContact NZ-OE1 2.77Å; K53-E62 IonicContact NZ-OE2 3.87Å; K53-E62 PolarHBondContact NZ-OE2 3.05Å; K53-E62 VanDerWaalsContact NZ-OE2 3.16Å |
| 54 | T | 98 | Very high | 96.9 | Very high | 22 Ų | 22 | 67.4 Ų | 67.4 | 14% | 0.135 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 115.5 | 167.5 | -58 | 0 | 0 | 0 | 0 | 107.9 | Q39 K41 N60 Y61 | Q39-T54 HydrophobicContact CB-CG2 4.23Å; Q39-T54 HydrophobicContact CG-CG2 4.43Å; K41-T54 HydrophobicContact CG-CG2 4.5Å; K41-T54 PolarHBondContact NZ-OG1 2.83Å; K41-T54 VanDerWaalsContact NZ-OG1 3.13Å; T54-N60 CarbonylContact O-C 3.57Å; T54-N60 VanDerWaalsContact O-CA 3.3Å; T54-N60 WeakPolarHBondContact O-CA 3.3Å; T54-Y61 PolarHBondContact N-O 2.79Å; T54-Y61 PolarHBondContact O-N 2.93Å |
| 55 | L | 98 | Very high | 96.9 | Very high | 51 Ų | 51 | 65.2 Ų | 65.2 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139.9 | -171.9 | -53.2 | 176.1 | 0 | 0 | 0 | 110.9 | Q39 T40 V42 K53 N60 | Q39-L55 CarbonylContact C-O 3.56Å; Q39-L55 VanDerWaalsContact CA-O 3.31Å; Q39-L55 WeakPolarHBondContact CA-O 3.39Å; T40-L55 PolarHBondContact N-O 2.77Å; T40-L55 PolarHBondContact O-N 3.44Å; V42-L55 HydrophobicContact CG2-CD1 3.9Å; K53-L55 HydrophobicContact CB-CD2 4.09Å; K53-L55 HydrophobicContact CB-CG 4.4Å; L55-N60 VanDerWaalsContact CA-OD1 3.26Å; L55-N60 WeakPolarHBondContact CA-OD1 3.09Å; L55-N60 HydrophobicContact CD2-CB 4.06Å |
| 56 | S | 96.9 | Very high | 97 | Very high | 30 Ų | 30 | 65.8 Ų | 65.8 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | trans | -146.9 | 172.3 | 169 | 77 | 0 | 0 | 0 | 0 | 110.4 | F58 R59 N60 | S56-F58 PolarHBondContact O-N 2.57Å; S56-F58 PolarHBondContact OG-N 2.82Å; S56-R59 PolarHBondContact N-O 2.81Å; S56-R59 PolarHBondContact OG-N 3.13Å; S56-R59 PolarHBondContact OG-O 2.92Å; S56-N60 PolarHBondContact N-OD1 2.9Å; S56-N60 PolarHBondContact O-OD1 2.85Å | ||
| 57 | T | 95 | Very high | 97 | Very high | 135 Ų | 135 | 61.5 Ų | 61.5 | 83% | 0.828 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -72.8 | -9.2 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | L37 | L37-T57 WeakPolarHBondContact CD2-OG1 3.38Š|
| 58 | F | 93.4 | Very high | 97.2 | Very high | 91 Ų | 91 | 61.4 Ų | 61.4 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -109.1 | -55.2 | -177.7 | -174.9 | -122.8 | 0 | 0 | 0 | 112.7 | T30 I33 L37 S56 | T30-F58 HydrophobicContact CG2-CE1 4.3Å; I33-F58 HydrophobicContact CD1-CZ 4.48Å; I33-F58 HydrophobicContact CG2-CB 4.44Å; I33-F58 HydrophobicContact CG2-CD1 4.17Å; I33-F58 HydrophobicContact CG2-CD2 4.29Å; I33-F58 HydrophobicContact CG2-CG 4.06Å; L37-F58 HydrophobicContact CD1-CB 3.35Å; L37-F58 HydrophobicContact CD1-CG 4.33Å; S56-F58 PolarHBondContact O-N 2.57Å; S56-F58 PolarHBondContact OG-N 2.82Å |
| 59 | R | 92.6 | Very high | 97.2 | Very high | 101 Ų | 101 | 63.4 Ų | 63.4 | 38% | 0.381 | 33% | 0.327 | S | S | . | . | trans | -140.9 | 144.7 | 179.6 | -67.1 | -174.4 | -172.5 | 173.5 | 3.3 | 110.9 | S56 G77 | S56-R59 PolarHBondContact N-O 2.81Å; S56-R59 PolarHBondContact OG-N 3.13Å; S56-R59 PolarHBondContact OG-O 2.92Å; R59-G77 WeakPolarHBondContact CD-O 3.41Å; R59-G77 PolarHBondContact NH1-O 2.86Å | ||
| 60 | N | 95.7 | Very high | 97.3 | Very high | 93 Ų | 93 | 61.5 Ų | 61.5 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | trans | -110.4 | 148.8 | 172.8 | -60.1 | -28.2 | 0 | 0 | 0 | 109 | T54 L55 S56 | T54-N60 CarbonylContact O-C 3.57Å; T54-N60 VanDerWaalsContact O-CA 3.3Å; T54-N60 WeakPolarHBondContact O-CA 3.3Å; L55-N60 VanDerWaalsContact CA-OD1 3.26Å; L55-N60 WeakPolarHBondContact CA-OD1 3.09Å; L55-N60 HydrophobicContact CD2-CB 4.06Å; S56-N60 PolarHBondContact N-OD1 2.9Å; S56-N60 PolarHBondContact O-OD1 2.85Å | ||
| 61 | Y | 96.8 | Very high | 97.3 | Very high | 35 Ų | 35 | 63.2 Ų | 63.2 | 14% | 0.137 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.6 | 177.9 | -178.5 | -111.3 | 0 | 0 | 0 | 109.3 | K53 T54 V63 E73 L78 | K53-Y61 CarbonylContact C-O 3.59Å; T54-Y61 PolarHBondContact N-O 2.79Å; T54-Y61 PolarHBondContact O-N 2.93Å; Y61-V63 HydrophobicContact CE1-CB 3.96Å; Y61-V63 HydrophobicContact CE1-CG1 4.05Å; Y61-E73 VanDerWaalsContact OH-CD 3.29Å; Y61-E73 WeakPolarHBondContact OH-CG 3.27Å; Y61-E73 PolarHBondContact OH-OE1 2.83Å; Y61-L78 HydrophobicContact CD1-CD1 4Å; Y61-L78 HydrophobicContact CD2-CD1 3.88Å; Y61-L78 HydrophobicContact CD2-CG 4.1Å; Y61-L78 HydrophobicContact CE1-CD1 4.22Å; Y61-L78 HydrophobicContact CE2-CD1 4.13Å; Y61-L78 HydrophobicContact CG-CD1 3.84Å; Y61-L78 HydrophobicContact CG-CG 4.28Å |
| 62 | E | 96.7 | Very high | 97.3 | Very high | 101 Ų | 101 | 64.4 Ų | 64.4 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.5 | 179.6 | -55.9 | -166.2 | 176.5 | 0 | 0 | 109.2 | T52 K53 | T52-E62 WeakPolarHBondContact O-CA 3.31Å; K53-E62 HydrophobicContact CB-CG 4.3Å; K53-E62 HydrophobicContact CD-CG 4.32Å; K53-E62 WeakPolarHBondContact CD-OE1 3.49Å; K53-E62 WeakPolarHBondContact CE-OE1 3.31Å; K53-E62 HydrophobicContact CG-CG 3.91Å; K53-E62 VanDerWaalsContact NZ-CD 3.26Å; K53-E62 IonicContact NZ-OE1 2.61Å; K53-E62 PolarHBondContact NZ-OE1 2.77Å; K53-E62 IonicContact NZ-OE2 3.87Å; K53-E62 PolarHBondContact NZ-OE2 3.05Å; K53-E62 VanDerWaalsContact NZ-OE2 3.16Å |
| 63 | V | 96.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 64 Ų | 64 | 12% | 0.121 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 123.7 | 173.3 | 63.7 | 0 | 0 | 0 | 0 | 108.9 | T52 Y61 F65 F71 E73 | T52-V63 WeakPolarHBondContact CB-O 3.46Å; T52-V63 PolarHBondContact N-O 3.16Å; T52-V63 VanDerWaalsContact N-O 3.12Å; T52-V63 PolarHBondContact O-N 2.88Å; T52-V63 WeakPolarHBondContact OG1-CG1 3.2Å; T52-V63 PolarHBondContact OG1-O 2.75Å; Y61-V63 HydrophobicContact CE1-CB 3.96Å; Y61-V63 HydrophobicContact CE1-CG1 4.05Å; V63-F65 HydrophobicContact CG2-CD1 4.42Å; V63-F71 HydrophobicContact CG2-CE2 3.78Å; V63-F71 HydrophobicContact CG2-CZ 3.79Å; V63-E73 HydrophobicContact CG2-CG 4.33Å |
| 64 | N | 98 | Very high | 97.2 | Very high | 85 Ų | 85 | 64 Ų | 64 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.5 | 178.6 | -60.8 | -13.2 | 0 | 0 | 0 | 108.1 | F50 E51 T52 | F50-N64 CarbonylContact O-C 3.48Å; F50-N64 VanDerWaalsContact O-CA 3.22Å; F50-N64 WeakPolarHBondContact O-CA 3.22Å; E51-N64 VanDerWaalsContact CA-OD1 3.23Å; E51-N64 WeakPolarHBondContact CA-OD1 3.27Å; T52-N64 PolarHBondContact N-OD1 3.44Å |
| 65 | F | 98.6 | Very high | 97 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 159.2 | -174.1 | 58.5 | -92.9 | 0 | 0 | 0 | 111.5 | F50 T52 V63 V67 F71 V87 W107 | F50-F65 HydrophobicContact CB-CD1 4.21Å; F50-F65 HydrophobicContact CB-CD2 4Å; F50-F65 HydrophobicContact CB-CE1 3.81Å; F50-F65 HydrophobicContact CB-CE2 3.57Å; F50-F65 HydrophobicContact CB-CG 4.3Å; F50-F65 HydrophobicContact CB-CZ 3.47Å; F50-F65 VanDerWaalsContact CB-CZ 3.47Å; F50-F65 HydrophobicContact CD1-CE2 4.39Å; F50-F65 HydrophobicContact CD1-CZ 4.09Å; F50-F65 HydrophobicContact CD2-CD2 4.3Å; F50-F65 AromaticContact CD2-CE2 3.64Å; F50-F65 HydrophobicContact CD2-CE2 3.64Å; F50-F65 HydrophobicContact CD2-CZ 4.16Å; F50-F65 HydrophobicContact CE2-CE2 4.43Å; F50-F65 HydrophobicContact CG-CD2 4.4Å; F50-F65 HydrophobicContact CG-CE1 4.46Å; F50-F65 AromaticContact CG-CE2 3.61Å; F50-F65 HydrophobicContact CG-CE2 3.61Å; F50-F65 AromaticContact CG-CZ 3.66Å; F50-F65 HydrophobicContact CG-CZ 3.66Å; F50-F65 PolarHBondContact N-O 3.31Å; F50-F65 PolarHBondContact O-N 2.86Å; T52-F65 HydrophobicContact CG2-CE1 3.96Å; T52-F65 HydrophobicContact CG2-CZ 4.49Å; V63-F65 HydrophobicContact CG2-CD1 4.42Å; F65-V67 HydrophobicContact CD2-CG2 4.4Å; F65-V67 HydrophobicContact CE2-CG2 4.08Å; F65-F71 HydrophobicContact CB-CD1 3.98Å; F65-F71 HydrophobicContact CB-CE1 3.43Å; F65-F71 VanDerWaalsContact CB-CE1 3.43Å; F65-F71 HydrophobicContact CB-CZ 3.79Å; F65-F71 HydrophobicContact CG-CE1 4.33Å; F65-V87 HydrophobicContact CD1-CG2 4.31Å; F65-V87 HydrophobicContact CD2-CB 3.82Å; F65-V87 HydrophobicContact CD2-CG1 4.16Å; F65-V87 HydrophobicContact CD2-CG2 3.74Å; F65-V87 HydrophobicContact CE1-CG2 4.46Å; F65-V87 HydrophobicContact CE2-CB 3.87Å; F65-V87 HydrophobicContact CE2-CG1 3.67Å; F65-V87 HydrophobicContact CE2-CG2 3.91Å; F65-V87 HydrophobicContact CG-CG2 3.96Å; F65-V87 HydrophobicContact CZ-CG1 4.2Å; F65-V87 HydrophobicContact CZ-CG2 4.27Å; F65-W107 HydrophobicContact CE1-CH2 4.43Å; F65-W107 HydrophobicContact CE1-CZ2 4.48Å; F65-W107 HydrophobicContact CZ-CH2 4.15Å |
| 66 | T | 98.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.4 | 163.8 | -46.9 | 0 | 0 | 0 | 0 | 108.1 | D48 K49 G68 E69 | D48-T66 HydrophobicContact CB-CG2 4.27Å; D48-T66 CarbonylContact O-C 3.59Å; D48-T66 VanDerWaalsContact O-CA 3.3Å; D48-T66 WeakPolarHBondContact O-CA 3.33Å; K49-T66 HydrophobicContact CG-CG2 4.23Å; T66-G68 PolarHBondContact O-N 3.11Å; T66-E69 WeakPolarHBondContact CB-OE2 3.48Å; T66-E69 HydrophobicContact CG2-CG 4.18Å; T66-E69 PolarHBondContact O-N 2.82Å; T66-E69 VanDerWaalsContact O-N 3.16Å; T66-E69 PolarHBondContact OG1-OE2 3.13Å |
| 67 | V | 98.4 | Very high | 96.2 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 132.2 | 176.5 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | D48 F50 F65 V87 W89 L94 | D48-V67 HydrophobicContact CB-CB 4.03Å; D48-V67 HydrophobicContact CB-CG2 4.38Å; D48-V67 PolarHBondContact O-N 3.05Å; F50-V67 HydrophobicContact CD2-CG2 3.83Å; F50-V67 HydrophobicContact CE2-CG2 3.56Å; F65-V67 HydrophobicContact CD2-CG2 4.4Å; F65-V67 HydrophobicContact CE2-CG2 4.08Å; V67-V87 WeakPolarHBondContact CG1-O 3.26Å; V67-W89 VanDerWaalsContact CG1-CD1 3.45Å; V67-W89 HydrophobicContact CG1-CG 4.05Å; V67-W89 HydrophobicContact CG2-CZ2 4.49Å; V67-L94 HydrophobicContact CG2-CD2 3.88Å |
| 68 | G | 98.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 64.7 Ų | 64.7 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -6.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T66 V87 | T66-G68 PolarHBondContact O-N 3.11Å; G68-V87 PolarHBondContact N-O 3.32Å |
| 69 | E | 98.6 | Very high | 96.2 | Very high | 117 Ų | 117 | 61.2 Ų | 61.2 | 55% | 0.547 | 32% | 0.315 | S | S | . | . | trans | -106.5 | 122.6 | 177.2 | -60.8 | -179.1 | 171.3 | 0 | 0 | 110 | T66 | T66-E69 WeakPolarHBondContact CB-OE2 3.48Å; T66-E69 HydrophobicContact CG2-CG 4.18Å; T66-E69 PolarHBondContact O-N 2.82Å; T66-E69 VanDerWaalsContact O-N 3.16Å; T66-E69 PolarHBondContact OG1-OE2 3.13Å | ||
| 70 | E | 98.6 | Very high | 96.4 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | trans | -73.9 | 139.1 | 173.5 | -168.3 | 171 | -119.8 | 0 | 0 | 109.6 | Q84 T85 L86 K99 | E70-Q84 HydrophobicContact CG-CB 4.4Å; E70-T85 WeakPolarHBondContact CA-O 3.28Å; E70-L86 HydrophobicContact CB-CB 4.39Å; E70-L86 HydrophobicContact CB-CD1 4.39Å; E70-L86 HydrophobicContact CG-CB 4.36Å; E70-K99 IonicContact OE1-NZ 2.77Å; E70-K99 PolarHBondContact OE1-NZ 3.28Å | ||
| 71 | F | 98.7 | Very high | 96.4 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 18% | 0.18 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 157.8 | -178.2 | 68.2 | -80.5 | 0 | 0 | 0 | 112 | V63 F65 E73 T85 V87 | V63-F71 HydrophobicContact CG2-CE2 3.78Å; V63-F71 HydrophobicContact CG2-CZ 3.79Å; F65-F71 HydrophobicContact CB-CD1 3.98Å; F65-F71 HydrophobicContact CB-CE1 3.43Å; F65-F71 VanDerWaalsContact CB-CE1 3.43Å; F65-F71 HydrophobicContact CB-CZ 3.79Å; F65-F71 HydrophobicContact CG-CE1 4.33Å; F71-E73 HydrophobicContact CD2-CB 4.34Å; F71-E73 HydrophobicContact CE2-CB 3.78Å; F71-E73 HydrophobicContact CE2-CG 4.27Å; F71-E73 HydrophobicContact CZ-CB 4.5Å; F71-T85 WeakPolarHBondContact CD1-O 3.4Å; F71-T85 HydrophobicContact CE1-CG2 3.7Å; F71-T85 WeakPolarHBondContact CE1-O 3.35Å; F71-T85 HydrophobicContact CZ-CG2 3.64Å; F71-T85 PolarHBondContact N-O 2.88Å; F71-T85 PolarHBondContact O-N 2.77Å; F71-V87 HydrophobicContact CE1-CG2 4.36Å |
| 72 | E | 98.5 | Very high | 96.5 | Very high | 125 Ų | 125 | 61.1 Ų | 61.1 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 120 | 171.2 | -172.9 | 176.6 | 100.2 | 0 | 0 | 110.3 | T82 | E72-T82 HydrophobicContact CG-CG2 3.39Å |
| 73 | E | 98.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.4 | 176.1 | -175.8 | -174.2 | 151 | 0 | 0 | 109.6 | Y61 V63 F71 T75 T82 I83 T85 Q98 | Y61-E73 VanDerWaalsContact OH-CD 3.29Å; Y61-E73 WeakPolarHBondContact OH-CG 3.27Å; Y61-E73 PolarHBondContact OH-OE1 2.83Å; V63-E73 HydrophobicContact CG2-CG 4.33Å; F71-E73 HydrophobicContact CD2-CB 4.34Å; F71-E73 HydrophobicContact CE2-CB 3.78Å; F71-E73 HydrophobicContact CE2-CG 4.27Å; F71-E73 HydrophobicContact CZ-CB 4.5Å; E73-T75 HydrophobicContact CG-CG2 4.2Å; E73-T75 WeakPolarHBondContact OE1-CG2 3.34Å; E73-T82 WeakPolarHBondContact O-CA 3.41Å; E73-I83 HydrophobicContact CB-CD1 4.44Å; E73-I83 HydrophobicContact CB-CG1 3.82Å; E73-I83 HydrophobicContact CG-CD1 4.46Å; E73-I83 HydrophobicContact CG-CG1 4.34Å; E73-I83 PolarHBondContact N-O 3.01Å; E73-I83 PolarHBondContact O-N 2.92Å; E73-T85 WeakPolarHBondContact CB-OG1 3.38Å; E73-T85 VanDerWaalsContact OE2-CB 3.31Å; E73-T85 WeakPolarHBondContact OE2-CB 3.32Å; E73-T85 WeakPolarHBondContact OE2-CG2 3.4Å; E73-T85 PolarHBondContact OE2-OG1 2.99Å; E73-Q98 PolarHBondContact OE1-NE2 3.38Å; E73-Q98 PolarHBondContact OE2-NE2 3.35Å |
| 74 | V | 96.7 | Very high | 96.6 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 110.4 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | K76 | V74-K76 HydrophobicContact CG1-CB 4.2Å; V74-K76 PolarHBondContact O-N 2.86Å |
| 75 | T | 95.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -83.8 | 43.4 | -175.7 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | E73 G77 L78 D79 N80 R81 I83 | E73-T75 HydrophobicContact CG-CG2 4.2Å; E73-T75 WeakPolarHBondContact OE1-CG2 3.34Å; T75-G77 PolarHBondContact O-N 3.43Å; T75-L78 WeakPolarHBondContact O-CA 3.47Å; T75-L78 WeakPolarHBondContact O-CB 3.5Å; T75-L78 PolarHBondContact O-N 3.24Å; T75-D79 VanDerWaalsContact CB-OD1 3.23Å; T75-D79 WeakPolarHBondContact CB-OD1 3.47Å; T75-D79 PolarHBondContact O-N 3.45Å; T75-D79 PolarHBondContact OG1-OD1 2.92Å; T75-N80 PolarHBondContact O-N 2.74Å; T75-R81 PolarHBondContact N-O 2.61Å; T75-R81 PolarHBondContact OG1-N 3.09Å; T75-R81 PolarHBondContact OG1-O 2.88Å; T75-I83 HydrophobicContact CG2-CD1 3.69Å; T75-I83 HydrophobicContact CG2-CG1 4.48Å | ||
| 76 | K | 91.6 | Very high | 96.7 | Very high | 162 Ų | 162 | 56.6 Ų | 56.6 | 70% | 0.704 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 132.2 | -178 | -175.1 | 177.5 | -179.5 | 179.2 | 0 | 110.6 | V74 L78 | V74-K76 HydrophobicContact CG1-CB 4.2Å; V74-K76 PolarHBondContact O-N 2.86Å; K76-L78 PolarHBondContact O-N 2.76Å |
| 77 | G | 86.1 | Confident | 96.7 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 24% | 0.237 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -4.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R59 T75 N80 | R59-G77 WeakPolarHBondContact CD-O 3.41Å; R59-G77 PolarHBondContact NH1-O 2.86Å; T75-G77 PolarHBondContact O-N 3.43Å; G77-N80 PolarHBondContact N-OD1 2.98Å |
| 78 | L | 92.7 | Very high | 96.7 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -110.4 | 161.1 | -53.7 | -179.7 | 0 | 0 | 0 | 107.5 | I26 Y61 T75 K76 | I26-L78 WeakPolarHBondContact CD1-O 3.44Å; Y61-L78 HydrophobicContact CD1-CD1 4Å; Y61-L78 HydrophobicContact CD2-CD1 3.88Å; Y61-L78 HydrophobicContact CD2-CG 4.1Å; Y61-L78 HydrophobicContact CE1-CD1 4.22Å; Y61-L78 HydrophobicContact CE2-CD1 4.13Å; Y61-L78 HydrophobicContact CG-CD1 3.84Å; Y61-L78 HydrophobicContact CG-CG 4.28Å; T75-L78 WeakPolarHBondContact O-CA 3.47Å; T75-L78 WeakPolarHBondContact O-CB 3.5Å; T75-L78 PolarHBondContact O-N 3.24Å; K76-L78 PolarHBondContact O-N 2.76Å |
| 79 | D | 95.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 10% | 0.096 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 2 | 179.2 | 64.7 | -43 | 0 | 0 | 0 | 114.1 | I24 I26 T75 R81 R105 | I24-D79 HydrophobicContact CB-CB 4.18Å; I24-D79 HydrophobicContact CD1-CB 4.06Å; I24-D79 HydrophobicContact CG1-CB 4.27Å; I24-D79 WeakPolarHBondContact O-CB 3.45Å; I26-D79 HydrophobicContact CD1-CB 3.99Å; T75-D79 VanDerWaalsContact CB-OD1 3.23Å; T75-D79 WeakPolarHBondContact CB-OD1 3.47Å; T75-D79 PolarHBondContact O-N 3.45Å; T75-D79 PolarHBondContact OG1-OD1 2.92Å; D79-R81 VanDerWaalsContact C-N 3.34Å; D79-R81 PolarHBondContact O-N 3.49Å; D79-R81 VanDerWaalsContact OD2-CD 3.28Å; D79-R81 WeakPolarHBondContact OD2-CD 3.12Å; D79-R81 WeakPolarHBondContact OD2-CG 3.18Å; D79-R81 IonicContact OD2-CZ 3.28Å; D79-R81 IonicContact OD2-NE 3.6Å; D79-R81 IonicContact OD2-NH1 3.45Å; D79-R81 PolarHBondContact OD2-NH1 3.2Å; D79-R105 IonicContact OD1-CZ 2.75Å; D79-R105 IonicContact OD1-NH1 3.79Å; D79-R105 IonicContact OD1-NH2 2.74Å; D79-R105 PolarHBondContact OD1-NH2 3.06Å; D79-R105 IonicContact OD2-CZ 3.16Å; D79-R105 IonicContact OD2-NH1 3.56Å; D79-R105 PolarHBondContact OD2-NH1 2.64Å; D79-R105 IonicContact OD2-NH2 3.63Å; D79-R105 PolarHBondContact OD2-NH2 3.27Å |
| 80 | N | 95.6 | Very high | 96.6 | Very high | 110 Ų | 110 | 56.8 Ų | 56.8 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | trans | 56.1 | 41.4 | 174.8 | -53.1 | -66.8 | 0 | 0 | 0 | 114.2 | T75 G77 | T75-N80 PolarHBondContact O-N 2.74Å; G77-N80 PolarHBondContact N-OD1 2.98Å | ||
| 81 | R | 96.9 | Very high | 96.4 | Very high | 34 Ų | 34 | 55 Ų | 55 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | trans | -104.7 | 154.9 | 175.6 | -66.8 | -170.5 | 171.7 | 88.6 | -2.2 | 111.1 | I24 D25 T75 D79 I83 E101 | I24-R81 PolarHBondContact O-NH1 2.76Å; D25-R81 IonicContact OD2-CZ 3.66Å; D25-R81 IonicContact OD2-NH1 2.84Å; D25-R81 IonicContact OD2-NH2 2.74Å; D25-R81 PolarHBondContact OD2-NH2 2.89Å; T75-R81 PolarHBondContact N-O 2.61Å; T75-R81 PolarHBondContact OG1-N 3.09Å; T75-R81 PolarHBondContact OG1-O 2.88Å; D79-R81 VanDerWaalsContact C-N 3.34Å; D79-R81 PolarHBondContact O-N 3.49Å; D79-R81 VanDerWaalsContact OD2-CD 3.28Å; D79-R81 WeakPolarHBondContact OD2-CD 3.12Å; D79-R81 WeakPolarHBondContact OD2-CG 3.18Å; D79-R81 IonicContact OD2-CZ 3.28Å; D79-R81 IonicContact OD2-NE 3.6Å; D79-R81 IonicContact OD2-NH1 3.45Å; D79-R81 PolarHBondContact OD2-NH1 3.2Å; R81-I83 HydrophobicContact CB-CG2 4.2Å; R81-E101 IonicContact CZ-OE1 2.74Å; R81-E101 IonicContact CZ-OE2 3.79Å; R81-E101 IonicContact NE-OE1 3.91Å; R81-E101 IonicContact NE-OE2 3.78Å; R81-E101 PolarHBondContact NE-OE2 2.83Å; R81-E101 IonicContact NH2-OE1 3.92Å; R81-E101 PolarHBondContact NH2-OE1 3.45Å; R81-E101 IonicContact NH2-OE2 3.73Å; R81-E101 PolarHBondContact NH2-OE2 3.06Å | ||
| 82 | T | 97.6 | Very high | 96.2 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.7 | 165.5 | -59.2 | 0 | 0 | 0 | 0 | 107.8 | E72 E73 | E72-T82 HydrophobicContact CG-CG2 3.39Å; E73-T82 WeakPolarHBondContact O-CA 3.41Å |
| 83 | I | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 159.8 | -176 | 63.5 | -165.1 | 0 | 0 | 0 | 110 | E73 T75 R81 Q98 K99 | E73-I83 HydrophobicContact CB-CD1 4.44Å; E73-I83 HydrophobicContact CB-CG1 3.82Å; E73-I83 HydrophobicContact CG-CD1 4.46Å; E73-I83 HydrophobicContact CG-CG1 4.34Å; E73-I83 PolarHBondContact N-O 3.01Å; E73-I83 PolarHBondContact O-N 2.92Å; T75-I83 HydrophobicContact CG2-CD1 3.69Å; T75-I83 HydrophobicContact CG2-CG1 4.48Å; R81-I83 HydrophobicContact CB-CG2 4.2Å; I83-Q98 HydrophobicContact CD1-CB 3.93Å; I83-Q98 HydrophobicContact CD1-CG 4.19Å; I83-K99 WeakPolarHBondContact CA-O 3.31Å; I83-K99 WeakPolarHBondContact CB-O 3.19Å |
| 84 | Q | 98.6 | Very high | 96.2 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 120.3 | 172.2 | -68.2 | -64.2 | -45.8 | 0 | 0 | 108.9 | E70 K99 | E70-Q84 HydrophobicContact CG-CB 4.4Å; Q84-K99 HydrophobicContact CB-CB 4.4Å; Q84-K99 PolarHBondContact N-O 3.08Å; Q84-K99 PolarHBondContact O-N 3.13Å |
| 85 | T | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.3 | -174 | -62 | 0 | 0 | 0 | 0 | 110.3 | E70 F71 E73 V87 A96 V97 Q98 | E70-T85 WeakPolarHBondContact CA-O 3.28Å; F71-T85 WeakPolarHBondContact CD1-O 3.4Å; F71-T85 HydrophobicContact CE1-CG2 3.7Å; F71-T85 WeakPolarHBondContact CE1-O 3.35Å; F71-T85 HydrophobicContact CZ-CG2 3.64Å; F71-T85 PolarHBondContact N-O 2.88Å; F71-T85 PolarHBondContact O-N 2.77Å; E73-T85 WeakPolarHBondContact CB-OG1 3.38Å; E73-T85 VanDerWaalsContact OE2-CB 3.31Å; E73-T85 WeakPolarHBondContact OE2-CB 3.32Å; E73-T85 WeakPolarHBondContact OE2-CG2 3.4Å; E73-T85 PolarHBondContact OE2-OG1 2.99Å; T85-V87 HydrophobicContact CG2-CG2 4.29Å; T85-A96 HydrophobicContact CG2-CB 4.42Å; T85-V97 WeakPolarHBondContact CA-O 3.4Å; T85-Q98 HydrophobicContact CG2-CG 4Å |
| 86 | L | 98.8 | Very high | 96.4 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.3 | 171.2 | 174.5 | 64.1 | 0 | 0 | 0 | 108.6 | E70 T88 A96 V97 | E70-L86 HydrophobicContact CB-CB 4.39Å; E70-L86 HydrophobicContact CB-CD1 4.39Å; E70-L86 HydrophobicContact CG-CB 4.36Å; L86-T88 HydrophobicContact CD1-CG2 4.3Å; L86-T88 HydrophobicContact CD2-CG2 4.17Å; L86-T88 HydrophobicContact CG-CG2 3.99Å; L86-A96 WeakPolarHBondContact O-CA 3.34Å; L86-V97 PolarHBondContact N-O 3.06Å; L86-V97 PolarHBondContact O-N 2.92Å |
| 87 | V | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.3 | 172.9 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | F65 V67 G68 F71 T85 L94 V95 A96 W107 | F65-V87 HydrophobicContact CD1-CG2 4.31Å; F65-V87 HydrophobicContact CD2-CB 3.82Å; F65-V87 HydrophobicContact CD2-CG1 4.16Å; F65-V87 HydrophobicContact CD2-CG2 3.74Å; F65-V87 HydrophobicContact CE1-CG2 4.46Å; F65-V87 HydrophobicContact CE2-CB 3.87Å; F65-V87 HydrophobicContact CE2-CG1 3.67Å; F65-V87 HydrophobicContact CE2-CG2 3.91Å; F65-V87 HydrophobicContact CG-CG2 3.96Å; F65-V87 HydrophobicContact CZ-CG1 4.2Å; F65-V87 HydrophobicContact CZ-CG2 4.27Å; V67-V87 WeakPolarHBondContact CG1-O 3.26Å; G68-V87 PolarHBondContact N-O 3.32Å; F71-V87 HydrophobicContact CE1-CG2 4.36Å; T85-V87 HydrophobicContact CG2-CG2 4.29Å; V87-L94 HydrophobicContact CG1-CB 4.31Å; V87-L94 HydrophobicContact CG1-CD2 4.07Å; V87-V95 CarbonylContact C-O 3.53Å; V87-V95 WeakPolarHBondContact CA-O 3.44Å; V87-A96 HydrophobicContact CG2-CB 3.94Å; V87-W107 HydrophobicContact CG1-CH2 3.87Å; V87-W107 HydrophobicContact CG1-CZ3 4.49Å; V87-W107 HydrophobicContact CG2-CH2 4.09Å; V87-W107 HydrophobicContact CG2-CZ2 3.98Å |
| 88 | T | 98.5 | Very high | 97.4 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.4 | -180 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | L86 V95 | L86-T88 HydrophobicContact CD1-CG2 4.3Å; L86-T88 HydrophobicContact CD2-CG2 4.17Å; L86-T88 HydrophobicContact CG-CG2 3.99Å; T88-V95 PolarHBondContact N-O 3.28Å; T88-V95 PolarHBondContact O-N 3.43Å; T88-V95 PolarHBondContact OG1-O 2.74Å |
| 89 | W | 97.7 | Very high | 97.7 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 130.3 | 169.1 | -69.5 | 113.9 | 0 | 0 | 0 | 110.6 | P2 F5 D48 F50 V67 K93 L94 | P2-W89 HydrophobicContact CB-CD2 4.44Å; P2-W89 HydrophobicContact CB-CH2 3.86Å; P2-W89 HydrophobicContact CB-CZ2 3.64Å; P2-W89 HydrophobicContact CB-CZ3 4.35Å; F5-W89 HydrophobicContact CD2-CH2 4.1Å; F5-W89 AromaticContact CE2-CH2 3.65Å; F5-W89 HydrophobicContact CE2-CH2 3.65Å; F5-W89 AromaticContact CE2-CZ3 3.67Å; F5-W89 HydrophobicContact CE2-CZ3 3.67Å; F5-W89 HydrophobicContact CZ-CZ3 4.42Å; D48-W89 PolarHBondContact OD1-NE1 3.4Å; F50-W89 HydrophobicContact CE2-CZ2 4.1Å; F50-W89 HydrophobicContact CZ-CH2 4.04Å; F50-W89 AromaticContact CZ-CZ2 3.91Å; F50-W89 HydrophobicContact CZ-CZ2 3.91Å; V67-W89 VanDerWaalsContact CG1-CD1 3.45Å; V67-W89 HydrophobicContact CG1-CG 4.05Å; V67-W89 HydrophobicContact CG2-CZ2 4.49Å; W89-K93 WeakPolarHBondContact CA-O 3.46Å; W89-L94 HydrophobicContact CD2-CD2 3.75Å; W89-L94 HydrophobicContact CE3-CD2 3.62Å; W89-L94 HydrophobicContact CE3-CG 4.07Å; W89-L94 HydrophobicContact CH2-CD1 4.35Å; W89-L94 HydrophobicContact CH2-CD2 3.61Å; W89-L94 HydrophobicContact CH2-CG 3.89Å; W89-L94 HydrophobicContact CZ2-CD2 3.73Å; W89-L94 HydrophobicContact CZ2-CG 4.5Å; W89-L94 HydrophobicContact CZ3-CD2 3.55Å; W89-L94 HydrophobicContact CZ3-CG 3.65Å |
| 90 | D | 96.8 | Very high | 97.8 | Very high | 102 Ų | 102 | 52.3 Ų | 52.3 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 90.6 | 164.3 | 179.3 | 21.2 | 0 | 0 | 0 | 108.4 | D92 K93 V95 | D90-D92 PolarHBondContact O-N 3.33Å; D90-K93 PolarHBondContact N-O 3.42Å; D90-K93 WeakPolarHBondContact O-CB 3.2Å; D90-K93 PolarHBondContact O-N 3.4Å; D90-V95 HydrophobicContact CB-CG2 3.82Å |
| 91 | G | 95 | Very high | 97.8 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 62% | 0.619 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | -119.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K93 | G91-K93 VanDerWaalsContact C-N 3.34Š|
| 92 | D | 95.2 | Very high | 97.9 | Very high | 107 Ų | 107 | 53.3 Ų | 53.3 | 57% | 0.572 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 9.2 | 178.4 | -65.4 | -29.1 | 0 | 0 | 0 | 113.3 | A3 D90 | A3-D92 HydrophobicContact CB-CB 4.26Å; D90-D92 PolarHBondContact O-N 3.33Å |
| 93 | K | 97.6 | Very high | 97.9 | Very high | 76 Ų | 76 | 52.2 Ų | 52.2 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 144.3 | 179.5 | -48.1 | -170.4 | -179.5 | 174.5 | 0 | 110.9 | W89 D90 G91 M108 Q109 W110 | W89-K93 WeakPolarHBondContact CA-O 3.46Å; D90-K93 PolarHBondContact N-O 3.42Å; D90-K93 WeakPolarHBondContact O-CB 3.2Å; D90-K93 PolarHBondContact O-N 3.4Å; G91-K93 VanDerWaalsContact C-N 3.34Å; K93-M108 HydrophobicContact CB-CG 4.36Å; K93-M108 HydrophobicContact CD-CG 4.18Å; K93-M108 HydrophobicContact CD-SD 3.61Å; K93-Q109 WeakPolarHBondContact CA-O 3.46Å; K93-W110 HydrophobicContact CB-CB 4.18Å; K93-W110 HydrophobicContact CD-CB 4.27Å; K93-W110 HydrophobicContact CD-CG 4.48Å; K93-W110 HydrophobicContact CG-CB 3.76Å; K93-W110 HydrophobicContact CG-CG 4.43Å |
| 94 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.8 | 165.7 | -70.1 | 170.6 | 0 | 0 | 0 | 109 | F5 F50 V67 V87 W89 W107 M108 Q109 | F5-L94 HydrophobicContact CD2-CD1 4.02Å; F5-L94 HydrophobicContact CE1-CD1 4.37Å; F5-L94 HydrophobicContact CE2-CD1 3.86Å; F5-L94 HydrophobicContact CE2-CG 4.04Å; F5-L94 HydrophobicContact CG-CD1 4.37Å; F5-L94 HydrophobicContact CZ-CD1 4.03Å; F5-L94 HydrophobicContact CZ-CG 4.12Å; F50-L94 HydrophobicContact CD1-CD1 4.38Å; F50-L94 HydrophobicContact CE1-CD1 3.68Å; F50-L94 HydrophobicContact CE2-CD2 4.5Å; F50-L94 HydrophobicContact CZ-CD1 3.75Å; F50-L94 HydrophobicContact CZ-CD2 4.31Å; V67-L94 HydrophobicContact CG2-CD2 3.88Å; V87-L94 HydrophobicContact CG1-CB 4.31Å; V87-L94 HydrophobicContact CG1-CD2 4.07Å; W89-L94 HydrophobicContact CD2-CD2 3.75Å; W89-L94 HydrophobicContact CE3-CD2 3.62Å; W89-L94 HydrophobicContact CE3-CG 4.07Å; W89-L94 HydrophobicContact CH2-CD1 4.35Å; W89-L94 HydrophobicContact CH2-CD2 3.61Å; W89-L94 HydrophobicContact CH2-CG 3.89Å; W89-L94 HydrophobicContact CZ2-CD2 3.73Å; W89-L94 HydrophobicContact CZ2-CG 4.5Å; W89-L94 HydrophobicContact CZ3-CD2 3.55Å; W89-L94 HydrophobicContact CZ3-CG 3.65Å; L94-W107 HydrophobicContact CB-CZ3 3.94Å; L94-M108 CarbonylContact O-C 3.45Å; L94-M108 VanDerWaalsContact O-CA 3.29Å; L94-M108 WeakPolarHBondContact O-CA 3.33Å; L94-Q109 HydrophobicContact CB-CB 4.43Å; L94-Q109 PolarHBondContact N-O 3.37Å; L94-Q109 PolarHBondContact O-N 3.05Å |
| 95 | V | 98.7 | Very high | 97.9 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | V87 T88 D90 M108 | V87-V95 CarbonylContact C-O 3.53Å; V87-V95 WeakPolarHBondContact CA-O 3.44Å; T88-V95 PolarHBondContact N-O 3.28Å; T88-V95 PolarHBondContact O-N 3.43Å; T88-V95 PolarHBondContact OG1-O 2.74Å; D90-V95 HydrophobicContact CB-CG2 3.82Å; V95-M108 HydrophobicContact CG2-CG 4.09Å; V95-M108 HydrophobicContact CG2-SD 4.49Å |
| 96 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T85 L86 V87 G106 W107 | T85-A96 HydrophobicContact CG2-CB 4.42Å; L86-A96 WeakPolarHBondContact O-CA 3.34Å; V87-A96 HydrophobicContact CG2-CB 3.94Å; A96-G106 CarbonylContact O-C 3.59Å; A96-G106 WeakPolarHBondContact O-CA 3.3Å; A96-W107 HydrophobicContact CB-CD2 3.45Å; A96-W107 VanDerWaalsContact CB-CD2 3.45Å; A96-W107 HydrophobicContact CB-CE3 3.95Å; A96-W107 HydrophobicContact CB-CG 3.92Å; A96-W107 HydrophobicContact CB-CH2 3.9Å; A96-W107 HydrophobicContact CB-CZ2 3.4Å; A96-W107 VanDerWaalsContact CB-CZ2 3.4Å; A96-W107 HydrophobicContact CB-CZ3 4.14Å; A96-W107 PolarHBondContact N-O 2.98Å; A96-W107 PolarHBondContact O-N 2.78Å |
| 97 | V | 98.8 | Very high | 97.8 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 44% | 0.442 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.6 | 168.4 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | T85 L86 K99 | T85-V97 WeakPolarHBondContact CA-O 3.4Å; L86-V97 PolarHBondContact N-O 3.06Å; L86-V97 PolarHBondContact O-N 2.92Å; V97-K99 HydrophobicContact CG1-CG 4.23Å |
| 98 | Q | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 99.3 | -178.1 | -63.2 | -173.2 | -46.8 | 0 | 0 | 109.6 | E73 I83 T85 R105 | E73-Q98 PolarHBondContact OE1-NE2 3.38Å; E73-Q98 PolarHBondContact OE2-NE2 3.35Å; I83-Q98 HydrophobicContact CD1-CB 3.93Å; I83-Q98 HydrophobicContact CD1-CG 4.19Å; T85-Q98 HydrophobicContact CG2-CG 4Å; Q98-R105 HydrophobicContact CB-CB 4.18Å; Q98-R105 HydrophobicContact CB-CG 3.84Å; Q98-R105 WeakPolarHBondContact CB-O 3.3Å; Q98-R105 PolarHBondContact N-O 3.47Å |
| 99 | K | 98.6 | Very high | 97.9 | Very high | 114 Ų | 114 | 54.1 Ų | 54.1 | 50% | 0.496 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.2 | -178.9 | -60 | 173.2 | -167.6 | 151.7 | 0 | 110.4 | E70 I83 Q84 V97 | E70-K99 IonicContact OE1-NZ 2.77Å; E70-K99 PolarHBondContact OE1-NZ 3.28Å; I83-K99 WeakPolarHBondContact CA-O 3.31Å; I83-K99 WeakPolarHBondContact CB-O 3.19Å; Q84-K99 HydrophobicContact CB-CB 4.4Å; Q84-K99 PolarHBondContact N-O 3.08Å; Q84-K99 PolarHBondContact O-N 3.13Å; V97-K99 HydrophobicContact CG1-CG 4.23Å |
| 100 | G | 97.3 | Very high | 97.9 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -178.1 | -149.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K102 | G100-K102 VanDerWaalsContact C-N 3.34Å; G100-K102 PolarHBondContact O-N 2.93Å |
| 101 | E | 96.8 | Very high | 98 | Very high | 141 Ų | 141 | 49.8 Ų | 49.8 | 66% | 0.659 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -62.4 | -37.4 | -178.8 | -172.3 | -167.1 | 139.3 | 0 | 0 | 113.4 | R81 | R81-E101 IonicContact CZ-OE1 2.74Å; R81-E101 IonicContact CZ-OE2 3.79Å; R81-E101 IonicContact NE-OE1 3.91Å; R81-E101 IonicContact NE-OE2 3.78Å; R81-E101 PolarHBondContact NE-OE2 2.83Å; R81-E101 IonicContact NH2-OE1 3.92Å; R81-E101 PolarHBondContact NH2-OE1 3.45Å; R81-E101 IonicContact NH2-OE2 3.73Å; R81-E101 PolarHBondContact NH2-OE2 3.06Å |
| 102 | K | 97.7 | Very high | 98.1 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 10% | 0.104 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -90 | 126 | -177.1 | -63.7 | -70 | 174.4 | 167.5 | 0 | 110.7 | A23 I24 D25 G100 R105 V122 E123 | A23-K102 WeakPolarHBondContact O-CD 3.31Å; A23-K102 WeakPolarHBondContact O-CE 3.28Å; A23-K102 PolarHBondContact O-NZ 2.74Å; I24-K102 HydrophobicContact CG2-CG 4.44Å; D25-K102 VanDerWaalsContact CG-NZ 3.34Å; D25-K102 IonicContact OD1-NZ 2.98Å; D25-K102 PolarHBondContact OD1-NZ 2.84Å; D25-K102 WeakPolarHBondContact OD2-CE 3.23Å; D25-K102 IonicContact OD2-NZ 3.49Å; D25-K102 PolarHBondContact OD2-NZ 2.85Å; G100-K102 VanDerWaalsContact C-N 3.34Å; G100-K102 PolarHBondContact O-N 2.93Å; K102-R105 HydrophobicContact CB-CB 4.44Å; K102-V122 HydrophobicContact CB-CG1 3.93Å; K102-V122 HydrophobicContact CG-CG1 4.47Å; K102-E123 WeakPolarHBondContact CD-OE1 3.02Å; K102-E123 IonicContact NZ-OE1 3.06Å |
| 103 | A | 97.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 50% | 0.504 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 153.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R105 E123 | A103-R105 PolarHBondContact O-N 3.39Å; A103-R105 VanDerWaalsContact O-N 3.08Å; A103-E123 WeakPolarHBondContact O-CA 3.13Å; A103-E123 PolarHBondContact O-N 2.93Å |
| 104 | N | 97.9 | Very high | 98 | Very high | 117 Ų | 117 | 50.9 Ų | 50.9 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 40 | 176.9 | -56.4 | -23 | 0 | 0 | 0 | 113.3 | H121 V122 E123 | N104-H121 CarbonylContact O-C 3.59Å; N104-H121 VanDerWaalsContact O-C 3.32Å; N104-H121 PolarHBondContact O-CD2 3.41Å; N104-H121 VanDerWaalsContact O-O 3.1Å; N104-V122 VanDerWaalsContact O-CA 3.26Å; N104-V122 WeakPolarHBondContact O-CA 3.26Å; N104-V122 PolarHBondContact O-N 3.45Å; N104-E123 WeakPolarHBondContact CB-O 3.48Å; N104-E123 PolarHBondContact ND2-O 3.29Å |
| 105 | R | 98.7 | Very high | 98 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | trans | -89.2 | 129.9 | 178.2 | -174.2 | -168.3 | 179.1 | 143 | 7.7 | 109.3 | D79 Q98 K102 A103 H121 V122 | D79-R105 IonicContact OD1-CZ 2.75Å; D79-R105 IonicContact OD1-NH1 3.79Å; D79-R105 IonicContact OD1-NH2 2.74Å; D79-R105 PolarHBondContact OD1-NH2 3.06Å; D79-R105 IonicContact OD2-CZ 3.16Å; D79-R105 IonicContact OD2-NH1 3.56Å; D79-R105 PolarHBondContact OD2-NH1 2.64Å; D79-R105 IonicContact OD2-NH2 3.63Å; D79-R105 PolarHBondContact OD2-NH2 3.27Å; Q98-R105 HydrophobicContact CB-CB 4.18Å; Q98-R105 HydrophobicContact CB-CG 3.84Å; Q98-R105 WeakPolarHBondContact CB-O 3.3Å; Q98-R105 PolarHBondContact N-O 3.47Å; K102-R105 HydrophobicContact CB-CB 4.44Å; A103-R105 PolarHBondContact O-N 3.39Å; A103-R105 VanDerWaalsContact O-N 3.08Å; R105-H121 CarbonylContact C-O 3.56Å; R105-H121 WeakPolarHBondContact CA-O 3.49Å; R105-V122 HydrophobicContact CB-CG1 4.48Å; R105-V122 HydrophobicContact CG-CG2 4.07Å | ||
| 106 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | -172.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A96 H121 | A96-G106 CarbonylContact O-C 3.59Å; A96-G106 WeakPolarHBondContact O-CA 3.3Å; G106-H121 WeakPolarHBondContact CA-NE2 3.4Å; G106-H121 PolarHBondContact N-O 3.42Å; G106-H121 PolarHBondContact O-N 3.35Å; G106-H121 PolarHBondContact O-ND1 3Å |
| 107 | W | 98.8 | Very high | 98 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 158.2 | 174.4 | 51.8 | -98.2 | 0 | 0 | 0 | 112.2 | F65 V87 L94 A96 Q109 L118 E119 I120 H121 | F65-W107 HydrophobicContact CE1-CH2 4.43Å; F65-W107 HydrophobicContact CE1-CZ2 4.48Å; F65-W107 HydrophobicContact CZ-CH2 4.15Å; V87-W107 HydrophobicContact CG1-CH2 3.87Å; V87-W107 HydrophobicContact CG1-CZ3 4.49Å; V87-W107 HydrophobicContact CG2-CH2 4.09Å; V87-W107 HydrophobicContact CG2-CZ2 3.98Å; L94-W107 HydrophobicContact CB-CZ3 3.94Å; A96-W107 HydrophobicContact CB-CD2 3.45Å; A96-W107 VanDerWaalsContact CB-CD2 3.45Å; A96-W107 HydrophobicContact CB-CE3 3.95Å; A96-W107 HydrophobicContact CB-CG 3.92Å; A96-W107 HydrophobicContact CB-CH2 3.9Å; A96-W107 HydrophobicContact CB-CZ2 3.4Å; A96-W107 VanDerWaalsContact CB-CZ2 3.4Å; A96-W107 HydrophobicContact CB-CZ3 4.14Å; A96-W107 PolarHBondContact N-O 2.98Å; A96-W107 PolarHBondContact O-N 2.78Å; W107-Q109 HydrophobicContact CE3-CB 4.02Å; W107-Q109 HydrophobicContact CZ3-CB 3.92Å; W107-L118 HydrophobicContact CB-CD1 3.82Å; W107-L118 HydrophobicContact CD2-CD1 4.4Å; W107-L118 HydrophobicContact CE3-CD1 4.23Å; W107-L118 HydrophobicContact CG-CD1 4.28Å; W107-E119 CarbonylContact C-O 3.5Å; W107-E119 WeakPolarHBondContact CA-O 3.43Å; W107-E119 VanDerWaalsContact CB-O 3.3Å; W107-E119 WeakPolarHBondContact CB-O 3.31Å; W107-I120 HydrophobicContact CB-CG1 4.46Å; W107-H121 PolarHBondContact N-CE1 3.36Å; W107-H121 VanDerWaalsContact N-CE1 3.3Å |
| 108 | M | 98.7 | Very high | 98 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 18% | 0.177 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.1 | 173 | 178.6 | 175 | 61.7 | 0 | 0 | 109 | K93 L94 V95 W110 L118 E119 | K93-M108 HydrophobicContact CB-CG 4.36Å; K93-M108 HydrophobicContact CD-CG 4.18Å; K93-M108 HydrophobicContact CD-SD 3.61Å; L94-M108 CarbonylContact O-C 3.45Å; L94-M108 VanDerWaalsContact O-CA 3.29Å; L94-M108 WeakPolarHBondContact O-CA 3.33Å; V95-M108 HydrophobicContact CG2-CG 4.09Å; V95-M108 HydrophobicContact CG2-SD 4.49Å; M108-W110 HydrophobicContact CE-CE3 4.19Å; M108-W110 HydrophobicContact CE-CH2 4.22Å; M108-W110 HydrophobicContact CE-CZ3 3.7Å; M108-W110 HydrophobicContact CG-CE3 3.99Å; M108-W110 HydrophobicContact CG-CZ3 4.2Å; M108-L118 CarbonylContact O-C 3.53Å; M108-L118 WeakPolarHBondContact O-CA 3.47Å; M108-E119 VanDerWaalsContact CE-OE2 3.27Å; M108-E119 WeakPolarHBondContact CE-OE2 3.46Å; M108-E119 PolarHBondContact N-O 2.66Å; M108-E119 PolarHBondContact O-N 3.5Å |
| 109 | Q | 98.7 | Very high | 98 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.6 | -176.4 | -166.3 | 178.3 | -95.9 | 0 | 0 | 110.9 | F5 K93 L94 W107 L116 H117 L118 | F5-Q109 HydrophobicContact CD1-CG 4.46Å; F5-Q109 HydrophobicContact CE1-CG 4.04Å; K93-Q109 WeakPolarHBondContact CA-O 3.46Å; L94-Q109 HydrophobicContact CB-CB 4.43Å; L94-Q109 PolarHBondContact N-O 3.37Å; L94-Q109 PolarHBondContact O-N 3.05Å; W107-Q109 HydrophobicContact CE3-CB 4.02Å; W107-Q109 HydrophobicContact CZ3-CB 3.92Å; Q109-L116 HydrophobicContact CG-CD1 3.57Å; Q109-L116 HydrophobicContact CG-CG 4.21Å; Q109-H117 VanDerWaalsContact CA-O 3.27Å; Q109-H117 WeakPolarHBondContact CA-O 3.41Å; Q109-H117 WeakPolarHBondContact CG-O 3.41Å; Q109-L118 HydrophobicContact CB-CD1 4.16Å; Q109-L118 HydrophobicContact CG-CD1 4.47Å |
| 110 | W | 98.5 | Very high | 98 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 11% | 0.114 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 169.2 | -179.2 | 71.9 | 99.7 | 0 | 0 | 0 | 111.7 | K93 M108 E112 H117 E119 | K93-W110 HydrophobicContact CB-CB 4.18Å; K93-W110 HydrophobicContact CD-CB 4.27Å; K93-W110 HydrophobicContact CD-CG 4.48Å; K93-W110 HydrophobicContact CG-CB 3.76Å; K93-W110 HydrophobicContact CG-CG 4.43Å; M108-W110 HydrophobicContact CE-CE3 4.19Å; M108-W110 HydrophobicContact CE-CH2 4.22Å; M108-W110 HydrophobicContact CE-CZ3 3.7Å; M108-W110 HydrophobicContact CG-CE3 3.99Å; M108-W110 HydrophobicContact CG-CZ3 4.2Å; W110-E112 PolarHBondContact NE1-OE1 3.32Å; W110-H117 HydrophobicContact CD2-CB 3.52Å; W110-H117 AromaticContact CE2-CG 3.7Å; W110-H117 HydrophobicContact CE3-CB 3.85Å; W110-H117 HydrophobicContact CG-CB 4.14Å; W110-H117 HydrophobicContact CH2-CB 3.77Å; W110-H117 HydrophobicContact CZ2-CB 3.41Å; W110-H117 VanDerWaalsContact CZ2-CB 3.41Å; W110-H117 AromaticContact CZ2-CG 3.81Å; W110-H117 AromaticContact CZ2-ND1 3.91Å; W110-H117 HydrophobicContact CZ3-CB 3.96Å; W110-H117 PolarHBondContact N-O 3.13Å; W110-H117 AromaticContact NE1-CG 3.75Å; W110-H117 PolarHBondContact O-N 3.37Å; W110-E119 HydrophobicContact CH2-CG 3.65Å; W110-E119 HydrophobicContact CZ3-CB 4.22Å; W110-E119 HydrophobicContact CZ3-CG 3.78Å |
| 111 | I | 98.2 | Very high | 98.1 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.6 | -178.3 | -69.1 | 170.2 | 0 | 0 | 0 | 110.4 | D4 F5 W9 G113 L115 L116 | D4-I111 WeakPolarHBondContact O-CD1 3.4Å; F5-I111 HydrophobicContact CB-CD1 4.34Å; F5-I111 HydrophobicContact CD1-CD1 3.61Å; F5-I111 HydrophobicContact CD1-CG1 3.93Å; F5-I111 HydrophobicContact CE1-CD1 3.96Å; F5-I111 HydrophobicContact CE1-CG1 3.85Å; F5-I111 HydrophobicContact CG-CD1 3.92Å; W9-I111 HydrophobicContact CH2-CD1 3.78Å; W9-I111 HydrophobicContact CH2-CG1 4.13Å; W9-I111 HydrophobicContact CZ2-CD1 3.81Å; W9-I111 HydrophobicContact CZ2-CG1 4.48Å; I111-G113 WeakPolarHBondContact CG2-O 3.45Å; I111-L115 WeakPolarHBondContact CA-O 3.47Å; I111-L116 HydrophobicContact CD1-CD1 4.42Å; I111-L116 HydrophobicContact CG1-CD1 3.84Å |
| 112 | E | 97.2 | Very high | 98.1 | Very high | 113 Ų | 113 | 41.3 Ų | 41.3 | 53% | 0.528 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 104.2 | 169.9 | -68.2 | 178.9 | -160 | 0 | 0 | 108.6 | W110 D114 L115 H117 | W110-E112 PolarHBondContact NE1-OE1 3.32Å; E112-D114 PolarHBondContact O-N 3.04Å; E112-L115 PolarHBondContact N-O 2.97Å; E112-L115 WeakPolarHBondContact O-CB 3.19Å; E112-L115 PolarHBondContact O-N 2.99Å; E112-L115 VanDerWaalsContact O-N 3.09Å; E112-H117 IonicContact OE2-NE2 3.98Å |
| 113 | G | 95.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 44.1 Ų | 44.1 | 79% | 0.794 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | -118.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I111 | I111-G113 WeakPolarHBondContact CG2-O 3.45Š|
| 114 | D | 96.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 41% | 0.412 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 14.1 | 177.3 | 74.3 | -12.9 | 0 | 0 | 0 | 113.6 | E112 K132 K133 | E112-D114 PolarHBondContact O-N 3.04Å; D114-K132 VanDerWaalsContact CG-NZ 3.32Å; D114-K132 IonicContact OD1-NZ 2.83Å; D114-K132 PolarHBondContact OD1-NZ 2.77Å; D114-K132 VanDerWaalsContact OD2-CE 3.31Å; D114-K132 WeakPolarHBondContact OD2-CE 3.38Å; D114-K132 IonicContact OD2-NZ 2.73Å; D114-K132 PolarHBondContact OD2-NZ 3.29Å; D114-K133 PolarHBondContact O-N 3.41Å |
| 115 | L | 98.2 | Very high | 98.2 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.2 | -179.3 | -56.4 | 179.8 | 0 | 0 | 0 | 111.4 | I111 E112 V130 F131 K132 | I111-L115 WeakPolarHBondContact CA-O 3.47Å; E112-L115 PolarHBondContact N-O 2.97Å; E112-L115 WeakPolarHBondContact O-CB 3.19Å; E112-L115 PolarHBondContact O-N 2.99Å; E112-L115 VanDerWaalsContact O-N 3.09Å; L115-V130 HydrophobicContact CB-CG1 4.08Å; L115-V130 HydrophobicContact CD1-CG1 4.16Å; L115-V130 HydrophobicContact CD2-CG1 4.15Å; L115-V130 HydrophobicContact CG-CG1 4.36Å; L115-F131 CarbonylContact C-O 3.58Å; L115-F131 VanDerWaalsContact CA-O 3.3Å; L115-F131 WeakPolarHBondContact CA-O 2.96Å; L115-K132 HydrophobicContact CD2-CB 4.13Å; L115-K132 HydrophobicContact CD2-CG 4.17Å |
| 116 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.3 | 167.5 | 174.9 | 74.6 | 0 | 0 | 0 | 108.2 | F5 W9 K41 I43 Q109 I111 V130 F131 | F5-L116 HydrophobicContact CD1-CD1 3.56Å; F5-L116 HydrophobicContact CE1-CD1 3.79Å; W9-L116 HydrophobicContact CB-CB 4.49Å; W9-L116 HydrophobicContact CB-CD2 3.92Å; W9-L116 HydrophobicContact CD2-CB 3.64Å; W9-L116 HydrophobicContact CD2-CD2 3.95Å; W9-L116 HydrophobicContact CD2-CG 4.35Å; W9-L116 HydrophobicContact CE3-CB 3.37Å; W9-L116 HydrophobicContact CG-CB 4.15Å; W9-L116 HydrophobicContact CG-CD2 3.65Å; W9-L116 HydrophobicContact CH2-CB 4.32Å; W9-L116 HydrophobicContact CZ3-CB 3.73Å; K41-L116 HydrophobicContact CD-CD2 3.96Å; I43-L116 HydrophobicContact CD1-CD2 4.03Å; Q109-L116 HydrophobicContact CG-CD1 3.57Å; Q109-L116 HydrophobicContact CG-CG 4.21Å; I111-L116 HydrophobicContact CD1-CD1 4.42Å; I111-L116 HydrophobicContact CG1-CD1 3.84Å; L116-V130 CarbonylContact O-C 3.59Å; L116-V130 WeakPolarHBondContact O-CA 3.19Å; L116-F131 HydrophobicContact CB-CB 4.21Å; L116-F131 HydrophobicContact CD2-CD2 4.37Å; L116-F131 PolarHBondContact N-O 3.15Å; L116-F131 PolarHBondContact O-N 2.88Å |
| 117 | H | 98.8 | Very high | 98.1 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.1 | 176.9 | -67.7 | -106.4 | 0 | 0 | 0 | 109.8 | Q109 W110 E112 | Q109-H117 VanDerWaalsContact CA-O 3.27Å; Q109-H117 WeakPolarHBondContact CA-O 3.41Å; Q109-H117 WeakPolarHBondContact CG-O 3.41Å; W110-H117 HydrophobicContact CD2-CB 3.52Å; W110-H117 AromaticContact CE2-CG 3.7Å; W110-H117 HydrophobicContact CE3-CB 3.85Å; W110-H117 HydrophobicContact CG-CB 4.14Å; W110-H117 HydrophobicContact CH2-CB 3.77Å; W110-H117 HydrophobicContact CZ2-CB 3.41Å; W110-H117 VanDerWaalsContact CZ2-CB 3.41Å; W110-H117 AromaticContact CZ2-CG 3.81Å; W110-H117 AromaticContact CZ2-ND1 3.91Å; W110-H117 HydrophobicContact CZ3-CB 3.96Å; W110-H117 PolarHBondContact N-O 3.13Å; W110-H117 AromaticContact NE1-CG 3.75Å; W110-H117 PolarHBondContact O-N 3.37Å; E112-H117 IonicContact OE2-NE2 3.98Å |
| 118 | L | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 122.5 | 174.8 | 172.8 | 64.5 | 0 | 0 | 0 | 109.4 | K41 W107 M108 Q109 I120 Q129 F131 | K41-L118 VanDerWaalsContact CE-CD2 3.43Å; W107-L118 HydrophobicContact CB-CD1 3.82Å; W107-L118 HydrophobicContact CD2-CD1 4.4Å; W107-L118 HydrophobicContact CE3-CD1 4.23Å; W107-L118 HydrophobicContact CG-CD1 4.28Å; M108-L118 CarbonylContact O-C 3.53Å; M108-L118 WeakPolarHBondContact O-CA 3.47Å; Q109-L118 HydrophobicContact CB-CD1 4.16Å; Q109-L118 HydrophobicContact CG-CD1 4.47Å; L118-I120 HydrophobicContact CD1-CG1 4.32Å; L118-I120 HydrophobicContact CD2-CD1 4.12Å; L118-I120 HydrophobicContact CD2-CG1 4.08Å; L118-I120 HydrophobicContact CG-CD1 4.47Å; L118-I120 HydrophobicContact CG-CG1 3.94Å; L118-Q129 HydrophobicContact CB-CB 4.27Å; L118-Q129 PolarHBondContact N-O 2.78Å; L118-Q129 PolarHBondContact O-N 2.8Å; L118-F131 HydrophobicContact CB-CE2 4.26Å; L118-F131 HydrophobicContact CD2-CE2 4.47Å |
| 119 | E | 98.8 | Very high | 98.1 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.6 | 167.7 | -72.8 | -174.5 | 163.4 | 0 | 0 | 109.3 | W107 M108 W110 C127 K128 | W107-E119 CarbonylContact C-O 3.5Å; W107-E119 WeakPolarHBondContact CA-O 3.43Å; W107-E119 VanDerWaalsContact CB-O 3.3Å; W107-E119 WeakPolarHBondContact CB-O 3.31Å; M108-E119 VanDerWaalsContact CE-OE2 3.27Å; M108-E119 WeakPolarHBondContact CE-OE2 3.46Å; M108-E119 PolarHBondContact N-O 2.66Å; M108-E119 PolarHBondContact O-N 3.5Å; W110-E119 HydrophobicContact CH2-CG 3.65Å; W110-E119 HydrophobicContact CZ3-CB 4.22Å; W110-E119 HydrophobicContact CZ3-CG 3.78Å; E119-C127 CarbonylContact C-O 3.54Å; E119-C127 VanDerWaalsContact CA-O 3.31Å; E119-C127 WeakPolarHBondContact CA-O 3.3Å; E119-K128 HydrophobicContact CG-CD 4.44Å; E119-K128 HydrophobicContact CG-CG 4.14Å; E119-K128 VanDerWaalsContact OE1-CE 3.27Å; E119-K128 WeakPolarHBondContact OE1-CE 3.5Å; E119-K128 IonicContact OE1-NZ 3.32Å; E119-K128 PolarHBondContact OE1-NZ 2.85Å |
| 120 | I | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.9 | 175.9 | -51.8 | 171.2 | 0 | 0 | 0 | 106.9 | I20 W107 L118 V126 C127 | I20-I120 HydrophobicContact CG2-CG2 4.03Å; W107-I120 HydrophobicContact CB-CG1 4.46Å; L118-I120 HydrophobicContact CD1-CG1 4.32Å; L118-I120 HydrophobicContact CD2-CD1 4.12Å; L118-I120 HydrophobicContact CD2-CG1 4.08Å; L118-I120 HydrophobicContact CG-CD1 4.47Å; L118-I120 HydrophobicContact CG-CG1 3.94Å; I120-V126 CarbonylContact O-C 3.55Å; I120-V126 WeakPolarHBondContact O-CA 3.36Å; I120-C127 HydrophobicContact CB-CB 4.35Å; I120-C127 PolarHBondContact N-O 3.46Å; I120-C127 PolarHBondContact O-N 3.05Å |
| 121 | H | 98.3 | Very high | 98.2 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140 | 179.3 | 53.1 | -85.9 | 0 | 0 | 0 | 110.8 | N104 R105 G106 W107 K125 V126 | N104-H121 CarbonylContact O-C 3.59Å; N104-H121 VanDerWaalsContact O-C 3.32Å; N104-H121 PolarHBondContact O-CD2 3.41Å; N104-H121 VanDerWaalsContact O-O 3.1Å; R105-H121 CarbonylContact C-O 3.56Å; R105-H121 WeakPolarHBondContact CA-O 3.49Å; G106-H121 WeakPolarHBondContact CA-NE2 3.4Å; G106-H121 PolarHBondContact N-O 3.42Å; G106-H121 PolarHBondContact O-N 3.35Å; G106-H121 PolarHBondContact O-ND1 3Å; W107-H121 PolarHBondContact N-CE1 3.36Å; W107-H121 VanDerWaalsContact N-CE1 3.3Å; H121-K125 VanDerWaalsContact CA-O 3.31Å; H121-K125 WeakPolarHBondContact CA-O 3.45Å; H121-V126 HydrophobicContact CB-CG2 4.37Å |
| 122 | V | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 130.6 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 107.5 | I20 A23 I24 K102 N104 R105 D124 K125 | I20-V122 HydrophobicContact CD1-CB 4.33Å; I20-V122 HydrophobicContact CD1-CG2 4.21Å; I20-V122 HydrophobicContact CG2-CG2 4.27Å; A23-V122 HydrophobicContact CB-CB 4.33Å; A23-V122 HydrophobicContact CB-CG1 4.21Å; I24-V122 HydrophobicContact CG2-CB 4.35Å; I24-V122 HydrophobicContact CG2-CG1 3.79Å; I24-V122 HydrophobicContact CG2-CG2 3.89Å; K102-V122 HydrophobicContact CB-CG1 3.93Å; K102-V122 HydrophobicContact CG-CG1 4.47Å; N104-V122 VanDerWaalsContact O-CA 3.26Å; N104-V122 WeakPolarHBondContact O-CA 3.26Å; N104-V122 PolarHBondContact O-N 3.45Å; R105-V122 HydrophobicContact CB-CG1 4.48Å; R105-V122 HydrophobicContact CG-CG2 4.07Å; V122-D124 PolarHBondContact O-N 3.29Å; V122-D124 VanDerWaalsContact O-N 3.13Å; V122-K125 PolarHBondContact N-O 3.24Å; V122-K125 VanDerWaalsContact N-O 3.09Å; V122-K125 WeakPolarHBondContact O-CB 3.36Å; V122-K125 PolarHBondContact O-N 3.07Å |
| 123 | E | 97.8 | Very high | 98.2 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | -112.2 | -177.7 | -65.2 | 170.8 | -174.1 | 0 | 0 | 112 | K102 A103 N104 | K102-E123 WeakPolarHBondContact CD-OE1 3.02Å; K102-E123 IonicContact NZ-OE1 3.06Å; A103-E123 WeakPolarHBondContact O-CA 3.13Å; A103-E123 PolarHBondContact O-N 2.93Å; N104-E123 WeakPolarHBondContact CB-O 3.48Å; N104-E123 PolarHBondContact ND2-O 3.29Å |
| 124 | D | 97.7 | Very high | 98.1 | Very high | 118 Ų | 118 | 49.4 Ų | 49.4 | 63% | 0.631 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106 | 6.6 | 175.8 | 73.2 | -35.4 | 0 | 0 | 0 | 112.8 | V122 | V122-D124 PolarHBondContact O-N 3.29Å; V122-D124 VanDerWaalsContact O-N 3.13Å |
| 125 | K | 98.4 | Very high | 97.4 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.2 | -174.4 | -53.6 | -51.7 | 177.8 | -145.5 | 0 | 111.7 | D19 I20 A23 H121 V122 | D19-K125 HydrophobicContact CB-CD 4.47Å; I20-K125 HydrophobicContact CD1-CB 3.76Å; A23-K125 HydrophobicContact CB-CG 4.19Å; H121-K125 VanDerWaalsContact CA-O 3.31Å; H121-K125 WeakPolarHBondContact CA-O 3.45Å; V122-K125 PolarHBondContact N-O 3.24Å; V122-K125 VanDerWaalsContact N-O 3.09Å; V122-K125 WeakPolarHBondContact O-CB 3.36Å; V122-K125 PolarHBondContact O-N 3.07Å |
| 126 | V | 98.5 | Very high | 97.4 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.5 | 174.7 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | N16 I120 H121 K128 | N16-V126 WeakPolarHBondContact CB-O 3.33Å; N16-V126 PolarHBondContact ND2-O 3.3Å; I120-V126 CarbonylContact O-C 3.55Å; I120-V126 WeakPolarHBondContact O-CA 3.36Å; H121-V126 HydrophobicContact CB-CG2 4.37Å; V126-K128 HydrophobicContact CG1-CG 4.4Å |
| 127 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.7 | 167.6 | 166.8 | 0 | 0 | 0 | 0 | 109.2 | E15 I20 E119 I120 | E15-C127 WeakPolarHBondContact O-CA 3.34Å; E15-C127 WeakPolarHBondContact O-CB 3.32Å; E15-C127 PolarHBondContact O-SG 3.42Å; I20-C127 HydrophobicContact CB-CB 4.29Å; I20-C127 HydrophobicContact CD1-CB 4.33Å; I20-C127 HydrophobicContact CG1-CB 3.31Å; E119-C127 CarbonylContact C-O 3.54Å; E119-C127 VanDerWaalsContact CA-O 3.31Å; E119-C127 WeakPolarHBondContact CA-O 3.3Å; I120-C127 HydrophobicContact CB-CB 4.35Å; I120-C127 PolarHBondContact N-O 3.46Å; I120-C127 PolarHBondContact O-N 3.05Å |
| 128 | K | 98.7 | Very high | 97.2 | Very high | 100 Ų | 100 | 60 Ų | 60 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.4 | 176.6 | -51.9 | -161.4 | -178.5 | -143.5 | 0 | 110 | E15 E119 V126 | E15-K128 HydrophobicContact CB-CB 4.41Å; E15-K128 PolarHBondContact N-O 2.79Å; E15-K128 PolarHBondContact O-N 2.82Å; E119-K128 HydrophobicContact CG-CD 4.44Å; E119-K128 HydrophobicContact CG-CG 4.14Å; E119-K128 VanDerWaalsContact OE1-CE 3.27Å; E119-K128 WeakPolarHBondContact OE1-CE 3.5Å; E119-K128 IonicContact OE1-NZ 3.32Å; E119-K128 PolarHBondContact OE1-NZ 2.85Å; V126-K128 HydrophobicContact CG1-CG 4.4Å |
| 129 | Q | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.2 | 177.7 | -59.2 | -174.8 | -24.6 | 0 | 0 | 109.6 | M11 T13 N14 L118 F131 | M11-Q129 HydrophobicContact CE-CB 4.49Å; M11-Q129 HydrophobicContact CE-CG 4.16Å; T13-Q129 WeakPolarHBondContact O-CA 3.46Å; N14-Q129 VanDerWaalsContact OD1-CG 3.3Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.43Å; N14-Q129 PolarHBondContact OD1-NE2 3.01Å; L118-Q129 HydrophobicContact CB-CB 4.27Å; L118-Q129 PolarHBondContact N-O 2.78Å; L118-Q129 PolarHBondContact O-N 2.8Å; Q129-F131 HydrophobicContact CB-CD2 4.36Å; Q129-F131 HydrophobicContact CB-CE2 3.52Å; Q129-F131 HydrophobicContact CB-CZ 4.06Å |
| 130 | V | 98.8 | Very high | 97 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.5 | 172 | -176 | 0 | 0 | 0 | 0 | 108.2 | V12 T13 L115 L116 | V12-V130 PolarHBondContact N-O 3.05Å; T13-V130 PolarHBondContact N-O 3.08Å; T13-V130 PolarHBondContact O-N 3.25Å; T13-V130 VanDerWaalsContact O-N 3.14Å; T13-V130 WeakPolarHBondContact OG1-CB 3.39Å; T13-V130 WeakPolarHBondContact OG1-CG2 3.45Å; L115-V130 HydrophobicContact CB-CG1 4.08Å; L115-V130 HydrophobicContact CD1-CG1 4.16Å; L115-V130 HydrophobicContact CD2-CG1 4.15Å; L115-V130 HydrophobicContact CG-CG1 4.36Å; L116-V130 CarbonylContact O-C 3.59Å; L116-V130 WeakPolarHBondContact O-CA 3.19Å |
| 131 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 143.8 | 177.6 | -54.1 | -108.7 | 0 | 0 | 0 | 109.5 | W9 V10 M11 Q39 K41 L115 L116 L118 Q129 | W9-F131 HydrophobicContact CB-CB 3.66Å; W9-F131 HydrophobicContact CB-CG 4.35Å; V10-F131 CarbonylContact O-C 3.5Å; V10-F131 WeakPolarHBondContact O-CA 3.49Å; M11-F131 VanDerWaalsContact CA-CD1 3.45Å; M11-F131 HydrophobicContact CB-CD1 3.76Å; M11-F131 HydrophobicContact CB-CE1 3.7Å; M11-F131 HydrophobicContact CB-CZ 4.49Å; M11-F131 HydrophobicContact CE-CE1 3.96Å; M11-F131 HydrophobicContact CE-CZ 3.75Å; M11-F131 HydrophobicContact CG-CE1 4.37Å; M11-F131 VanDerWaalsContact N-CD1 3.31Å; Q39-F131 HydrophobicContact CB-CE1 4.09Å; K41-F131 HydrophobicContact CD-CD1 4.42Å; K41-F131 HydrophobicContact CD-CD2 4.37Å; K41-F131 HydrophobicContact CD-CE1 4.04Å; K41-F131 HydrophobicContact CD-CE2 3.98Å; K41-F131 HydrophobicContact CD-CZ 3.83Å; K41-F131 HydrophobicContact CG-CD1 4.37Å; K41-F131 HydrophobicContact CG-CE1 3.96Å; K41-F131 HydrophobicContact CG-CZ 4.2Å; L115-F131 CarbonylContact C-O 3.58Å; L115-F131 VanDerWaalsContact CA-O 3.3Å; L115-F131 WeakPolarHBondContact CA-O 2.96Å; L116-F131 HydrophobicContact CB-CB 4.21Å; L116-F131 HydrophobicContact CD2-CD2 4.37Å; L116-F131 PolarHBondContact N-O 3.15Å; L116-F131 PolarHBondContact O-N 2.88Å; L118-F131 HydrophobicContact CB-CE2 4.26Å; L118-F131 HydrophobicContact CD2-CE2 4.47Å; Q129-F131 HydrophobicContact CB-CD2 4.36Å; Q129-F131 HydrophobicContact CB-CE2 3.52Å; Q129-F131 HydrophobicContact CB-CZ 4.06Å |
| 132 | K | 98.5 | Very high | 96.8 | Very high | 97 Ų | 97 | 67.3 Ų | 67.3 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.7 | 174.8 | -168.4 | 171.4 | -176.8 | 81.3 | 0 | 110.2 | W9 V10 V12 D114 L115 K134 | W9-K132 CarbonylContact C-O 3.52Å; W9-K132 WeakPolarHBondContact CA-O 3.47Å; V10-K132 PolarHBondContact N-O 3.14Å; V10-K132 PolarHBondContact O-N 3.28Å; V12-K132 HydrophobicContact CG2-CB 3.69Å; D114-K132 VanDerWaalsContact CG-NZ 3.32Å; D114-K132 IonicContact OD1-NZ 2.83Å; D114-K132 PolarHBondContact OD1-NZ 2.77Å; D114-K132 VanDerWaalsContact OD2-CE 3.31Å; D114-K132 WeakPolarHBondContact OD2-CE 3.38Å; D114-K132 IonicContact OD2-NZ 2.73Å; D114-K132 PolarHBondContact OD2-NZ 3.29Å; L115-K132 HydrophobicContact CD2-CB 4.13Å; L115-K132 HydrophobicContact CD2-CG 4.17Å; K132-K134 PolarHBondContact O-N 2.93Å |
| 133 | K | 97.9 | Very high | 96.7 | Very high | 82 Ų | 82 | 72.2 Ų | 72.2 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 133.2 | 176 | -154.1 | 170.2 | -172 | 163.8 | 0 | 109.5 | N6 W9 D114 | N6-K133 WeakPolarHBondContact O-CE 3.45Å; N6-K133 PolarHBondContact O-NZ 2.61Å; W9-K133 HydrophobicContact CD2-CB 4.38Å; W9-K133 HydrophobicContact CD2-CG 4.27Å; W9-K133 HydrophobicContact CE3-CB 3.68Å; W9-K133 HydrophobicContact CE3-CG 4.03Å; W9-K133 HydrophobicContact CH2-CB 4.09Å; W9-K133 HydrophobicContact CH2-CD 3.76Å; W9-K133 HydrophobicContact CH2-CG 3.99Å; W9-K133 HydrophobicContact CZ2-CD 4.02Å; W9-K133 HydrophobicContact CZ2-CG 4.2Å; W9-K133 HydrophobicContact CZ3-CB 3.53Å; W9-K133 HydrophobicContact CZ3-CD 4.12Å; W9-K133 HydrophobicContact CZ3-CG 3.9Å; D114-K133 PolarHBondContact O-N 3.41Å |
| 134 | K | 93.7 | Very high | 96.6 | Very high | 98 Ų | 98 | 71.4 Ų | 71.4 | 43% | 0.426 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 140.7 | 166.6 | -75.6 | -160.7 | 177.2 | 174.9 | 0 | 109.2 | Q8 V10 K132 | Q8-K134 HydrophobicContact CB-CB 4.37Å; Q8-K134 HydrophobicContact CB-CD 4.36Å; Q8-K134 HydrophobicContact CB-CG 4.4Å; Q8-K134 HydrophobicContact CG-CD 3.9Å; Q8-K134 HydrophobicContact CG-CG 4.22Å; Q8-K134 PolarHBondContact O-N 3.38Å; V10-K134 HydrophobicContact CG2-CD 4.1Å; V10-K134 HydrophobicContact CG2-CG 3.72Å; K132-K134 PolarHBondContact O-N 2.93Å |
| 135 | P | 80.7 | Confident | 96.5 | Very high | 201 Ų | 201 | 67.2 Ų | 67.2 | 100% | 1.305 | 35% | 0.346 | S | S | * | . | trans | -55.8 | 0 | 171.3 | -20.8 | 31.7 | 0 | 0 | 0 | 112.7 |
Retrieved 135 of 135 residues in 159.8 ms
(Link to these results)