| 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 | 55.8 | Low | 90.9 | Very high | 235 Ų | 235 | 58.8 Ų | 58.8 | 100% | 1.158 | 33% | 0.329 | S | S | * | . | 0 | 140 | 0 | -62.9 | -175.1 | -149.4 | 0 | 0 | 106.7 | |||||
| 2 | P | 75.6 | Confident | 91.5 | Very high | 70 Ų | 70 | 61 Ų | 61 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | trans | -57 | 152.3 | 173.5 | 23 | -30.4 | 0 | 0 | 0 | 110.3 | W89 | P2-W89 HydrophobicContact CB-CH2 4.06Å; P2-W89 HydrophobicContact CB-CZ2 3.54Å | ||
| 3 | I | 90.3 | Very high | 92 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | trans | -59.3 | 139.5 | 174.8 | -68.6 | -167.2 | 0 | 0 | 0 | 108.9 | Y5 Q45 D92 I111 | I3-Y5 HydrophobicContact CB-CD2 4.4Å; I3-Y5 HydrophobicContact CB-CE2 4.03Å; I3-Y5 HydrophobicContact CG2-CD2 4.01Å; I3-Y5 HydrophobicContact CG2-CE2 3.85Å; I3-Q45 PolarHBondContact O-NE2 2.74Å; I3-Q45 PolarHBondContact O-OE1 2.87Å; I3-D92 HydrophobicContact CD1-CB 3.62Å; I3-D92 HydrophobicContact CG1-CB 4.23Å; I3-I111 HydrophobicContact CG2-CD1 3.98Å | ||
| 4 | D | 94.4 | Very high | 92.4 | Very high | 96 Ų | 96 | 58 Ų | 58 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | trans | -86.8 | 111.9 | 173.8 | -179 | 15.9 | 0 | 0 | 0 | 110.2 | S6 | D4-S6 VanDerWaalsContact C-N 3.32Å; D4-S6 WeakPolarHBondContact OD1-CB 3.41Å; D4-S6 PolarHBondContact OD1-N 2.87Å; D4-S6 PolarHBondContact OD1-OG 3.02Å | ||
| 5 | Y | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -86.8 | -4 | 176.9 | -78.3 | -109 | 0 | 0 | 0 | 113 | I3 G7 W9 I43 W89 D92 L94 H109 W110 I111 L116 | I3-Y5 HydrophobicContact CB-CD2 4.4Å; I3-Y5 HydrophobicContact CB-CE2 4.03Å; I3-Y5 HydrophobicContact CG2-CD2 4.01Å; I3-Y5 HydrophobicContact CG2-CE2 3.85Å; Y5-G7 PolarHBondContact O-N 3.29Å; Y5-W9 PolarHBondContact O-NE1 2.85Å; Y5-I43 HydrophobicContact CD1-CD1 4.5Å; Y5-I43 WeakPolarHBondContact O-CB 3.32Å; Y5-W89 AromaticContact CD2-CH2 3.94Å; Y5-W89 HydrophobicContact CD2-CH2 3.94Å; Y5-W89 HydrophobicContact CD2-CZ3 4.44Å; Y5-W89 AromaticContact CE2-CH2 3.59Å; Y5-W89 HydrophobicContact CE2-CH2 3.59Å; Y5-W89 AromaticContact CE2-CZ3 3.64Å; Y5-W89 HydrophobicContact CE2-CZ3 3.64Å; Y5-D92 PolarHBondContact OH-O 2.75Å; Y5-L94 HydrophobicContact CD1-CD1 4.16Å; Y5-L94 HydrophobicContact CD2-CD1 4.19Å; Y5-L94 HydrophobicContact CE1-CD1 4.13Å; Y5-L94 HydrophobicContact CE1-CG 4.43Å; Y5-L94 HydrophobicContact CE2-CD1 4.18Å; Y5-L94 HydrophobicContact CE2-CG 4.13Å; Y5-L94 HydrophobicContact CG-CD1 4.17Å; Y5-L94 PolarHBondContact OH-N 2.98Å; Y5-H109 HydrophobicContact CE1-CB 3.89Å; Y5-H109 PolarHBondContact OH-O 2.91Å; Y5-W110 WeakPolarHBondContact OH-CA 3.31Å; Y5-I111 HydrophobicContact CD1-CD1 3.65Å; Y5-I111 HydrophobicContact CD1-CG1 4.01Å; Y5-I111 HydrophobicContact CD2-CD1 4.13Å; Y5-I111 HydrophobicContact CE1-CD1 3.96Å; Y5-I111 HydrophobicContact CE1-CG1 3.88Å; Y5-I111 HydrophobicContact CE2-CD1 4.39Å; Y5-I111 HydrophobicContact CG-CD1 3.77Å; Y5-L116 HydrophobicContact CD1-CD1 3.73Å; Y5-L116 HydrophobicContact CE1-CD1 3.74Å | ||
| 6 | S | 97.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 65.3 Ų | 65.3 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | trans | -58 | 136.6 | -174 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | D4 I43 Q45 K133 | D4-S6 VanDerWaalsContact C-N 3.32Å; D4-S6 WeakPolarHBondContact OD1-CB 3.41Å; D4-S6 PolarHBondContact OD1-N 2.87Å; D4-S6 PolarHBondContact OD1-OG 3.02Å; S6-I43 WeakPolarHBondContact CA-O 3.39Å; S6-Q45 WeakPolarHBondContact OG-CB 3.43Å; S6-Q45 PolarHBondContact OG-N 2.88Å; S6-K133 WeakPolarHBondContact O-CE 3.35Å; S6-K133 PolarHBondContact O-NZ 3.34Å | ||
| 7 | G | 97.3 | Very high | 93.4 | Very high | 23 Ų | 23 | 63.6 Ų | 63.6 | 24% | 0.237 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.4 | -178.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y5 I43 | Y5-G7 PolarHBondContact O-N 3.29Å; G7-I43 PolarHBondContact N-O 3.3Å; G7-I43 PolarHBondContact O-N 2.71Å |
| 8 | T | 98.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 63.6 Ų | 63.6 | 28% | 0.282 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.7 | 173.5 | -53.9 | 0 | 0 | 0 | 0 | 108.6 | Q40 K41 V42 K133 S134 | T8-Q40 HydrophobicContact CG2-CG 3.5Å; T8-K41 CarbonylContact C-O 3.57Å; T8-K41 WeakPolarHBondContact CA-O 3.34Å; T8-V42 HydrophobicContact CG2-CG2 4.2Å; T8-K133 WeakPolarHBondContact O-CA 3.32Å; T8-S134 WeakPolarHBondContact CB-OG 3.5Å; T8-S134 VanDerWaalsContact CG2-OG 3.3Å; T8-S134 WeakPolarHBondContact CG2-OG 3.47Å; T8-S134 PolarHBondContact O-N 3.15Å; T8-S134 PolarHBondContact O-OG 3.33Å |
| 9 | W | 98.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 121.1 | -172.7 | -53.5 | 89.7 | 0 | 0 | 0 | 109.4 | Y5 Q40 K41 I111 L116 Y131 K132 K133 | Y5-W9 PolarHBondContact O-NE1 2.85Å; W9-Q40 CarbonylContact O-C 3.57Å; W9-Q40 WeakPolarHBondContact O-CA 3.37Å; W9-K41 HydrophobicContact CB-CB 4.24Å; W9-K41 PolarHBondContact N-O 2.82Å; W9-K41 PolarHBondContact O-N 2.83Å; W9-I111 HydrophobicContact CH2-CD1 3.89Å; W9-I111 HydrophobicContact CH2-CG1 4.22Å; W9-I111 HydrophobicContact CZ2-CD1 3.89Å; W9-L116 HydrophobicContact CB-CD2 4.11Å; W9-L116 HydrophobicContact CD2-CB 3.68Å; W9-L116 HydrophobicContact CD2-CD2 3.97Å; W9-L116 HydrophobicContact CD2-CG 4.44Å; W9-L116 HydrophobicContact CE3-CB 3.4Å; W9-L116 VanDerWaalsContact CE3-CB 3.4Å; W9-L116 HydrophobicContact CG-CB 4.25Å; W9-L116 HydrophobicContact CG-CD2 3.75Å; W9-L116 HydrophobicContact CH2-CB 4.27Å; W9-L116 HydrophobicContact CZ3-CB 3.72Å; W9-Y131 HydrophobicContact CB-CD1 4.36Å; W9-Y131 HydrophobicContact CB-CG 4.36Å; W9-K132 CarbonylContact C-O 3.54Å; W9-K132 WeakPolarHBondContact CA-O 3.47Å; W9-K133 HydrophobicContact CD2-CB 4.38Å; W9-K133 HydrophobicContact CD2-CG 4.24Å; W9-K133 HydrophobicContact CE3-CB 3.7Å; W9-K133 HydrophobicContact CE3-CG 4.02Å; W9-K133 HydrophobicContact CH2-CB 4.11Å; W9-K133 HydrophobicContact CH2-CD 3.76Å; W9-K133 HydrophobicContact CH2-CG 4Å; W9-K133 HydrophobicContact CZ2-CD 4.02Å; W9-K133 HydrophobicContact CZ2-CG 4.21Å; W9-K133 HydrophobicContact CZ3-CB 3.54Å; W9-K133 HydrophobicContact CZ3-CD 4.11Å; W9-K133 HydrophobicContact CZ3-CG 3.89Å |
| 10 | D | 98.1 | Very high | 94.1 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.9 | -178 | -64.6 | -58.7 | 0 | 0 | 0 | 110.5 | T12 Q40 Y131 K132 S134 | D10-T12 PolarHBondContact O-N 2.91Å; D10-Q40 WeakPolarHBondContact OD1-CG 3.12Å; D10-Q40 PolarHBondContact OD1-NE2 2.92Å; D10-Y131 CarbonylContact O-C 3.52Å; D10-Y131 VanDerWaalsContact O-CA 3.23Å; D10-Y131 WeakPolarHBondContact O-CA 3.31Å; D10-K132 PolarHBondContact N-O 3.34Å; D10-K132 PolarHBondContact O-N 2.65Å; D10-S134 PolarHBondContact OD2-OG 3.19Å |
| 11 | M | 97.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 129.6 | -178.2 | -175.1 | -178.9 | -77.9 | 0 | 0 | 111.6 | S13 N14 P39 Q129 Y131 | M11-S13 WeakPolarHBondContact CG-O 3.47Å; M11-N14 HydrophobicContact CE-CB 4.43Å; M11-N14 HydrophobicContact SD-CB 3.64Å; M11-P39 VanDerWaalsContact CB-O 3.29Å; M11-P39 WeakPolarHBondContact CB-O 3.47Å; M11-P39 HydrophobicContact CE-CB 4.39Å; M11-P39 VanDerWaalsContact CE-CD 3.41Å; M11-P39 HydrophobicContact CE-CG 3.6Å; M11-P39 PolarHBondContact N-O 2.99Å; M11-P39 WeakPolarHBondContact SD-CD 3.47Å; M11-P39 HydrophobicContact SD-CG 4.28Å; M11-Q129 HydrophobicContact CE-CB 4.28Å; M11-Q129 VanDerWaalsContact CE-CD 3.45Å; M11-Q129 HydrophobicContact CE-CG 3.92Å; M11-Y131 VanDerWaalsContact CA-CD1 3.46Å; M11-Y131 HydrophobicContact CB-CD1 3.77Å; M11-Y131 HydrophobicContact CB-CE1 3.59Å; M11-Y131 HydrophobicContact CE-CE1 3.93Å; M11-Y131 HydrophobicContact CE-CE2 4.18Å; M11-Y131 VanDerWaalsContact CE-CZ 3.44Å; M11-Y131 WeakPolarHBondContact CE-OH 3.34Å; M11-Y131 HydrophobicContact CG-CE1 4.24Å; M11-Y131 VanDerWaalsContact N-CD1 3.33Å |
| 12 | T | 97.6 | Very high | 96.3 | Very high | 85 Ų | 85 | 49 Ų | 49 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -29.7 | 175.8 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | D10 I130 K132 | D10-T12 PolarHBondContact O-N 2.91Å; T12-I130 PolarHBondContact N-O 3.26Å; T12-I130 PolarHBondContact OG1-O 3.07Å; T12-K132 HydrophobicContact CG2-CB 3.8Å |
| 13 | S | 97.8 | Very high | 97.3 | Very high | 33 Ų | 33 | 46 Ų | 46 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.7 | 178.5 | -171.7 | 0 | 0 | 0 | 0 | 112.4 | M11 Q129 I130 | M11-S13 WeakPolarHBondContact CG-O 3.47Å; S13-Q129 WeakPolarHBondContact O-CA 3.44Å; S13-I130 PolarHBondContact N-O 3.29Å; S13-I130 PolarHBondContact O-N 3.42Å |
| 14 | N | 97.9 | Very high | 97.7 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 97.3 | 177.7 | -166.6 | 10.1 | 0 | 0 | 0 | 111 | M11 F17 C127 Q129 | M11-N14 HydrophobicContact CE-CB 4.43Å; M11-N14 HydrophobicContact SD-CB 3.64Å; N14-F17 WeakPolarHBondContact ND2-CD1 3.33Å; N14-F17 WeakPolarHBondContact OD1-CB 3.27Å; N14-C127 PolarHBondContact OD1-SG 2.78Å; N14-Q129 HydrophobicContact CB-CG 4.35Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.47Å; N14-Q129 PolarHBondContact OD1-NE2 2.88Å |
| 15 | E | 98.2 | Very high | 97.8 | Very high | 100 Ų | 100 | 41.7 Ų | 41.7 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140.1 | -176 | -61.7 | -176.8 | 176.9 | 0 | 0 | 111.1 | F17 C127 K128 | E15-F17 PolarHBondContact O-N 3.49Å; E15-F17 VanDerWaalsContact O-N 3.12Å; E15-C127 WeakPolarHBondContact O-CA 3.33Å; E15-C127 PolarHBondContact O-SG 3.02Å; E15-K128 HydrophobicContact CB-CB 4.46Å; E15-K128 PolarHBondContact N-O 3.48Å; E15-K128 PolarHBondContact O-N 3.27Å |
| 16 | H | 97.9 | Very high | 97.7 | Very high | 133 Ų | 133 | 42.9 Ų | 42.9 | 62% | 0.616 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 60.4 | 16.4 | 176 | -52 | -60.7 | 0 | 0 | 0 | 116.5 | E18 G19 Y20 V126 | H16-E18 VanDerWaalsContact C-N 3.32Å; H16-E18 PolarHBondContact O-N 2.86Å; H16-G19 PolarHBondContact O-N 2.88Å; H16-G19 VanDerWaalsContact O-N 3.17Å; H16-Y20 PolarHBondContact O-N 3.42Å; H16-V126 VanDerWaalsContact CB-O 3.26Å; H16-V126 WeakPolarHBondContact CB-O 3.03Å |
| 17 | F | 97.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 45.5 Ų | 45.5 | 16% | 0.158 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -37.1 | -179.3 | -168.2 | -136.4 | 0 | 0 | 0 | 114 | N14 E15 G19 Y20 M21 A34 | N14-F17 WeakPolarHBondContact ND2-CD1 3.33Å; N14-F17 WeakPolarHBondContact OD1-CB 3.27Å; E15-F17 PolarHBondContact O-N 3.49Å; E15-F17 VanDerWaalsContact O-N 3.12Å; F17-G19 VanDerWaalsContact C-N 3.33Å; F17-G19 PolarHBondContact O-N 2.87Å; F17-Y20 HydrophobicContact CD2-CD1 4.06Å; F17-Y20 HydrophobicContact CE2-CD1 4.02Å; F17-Y20 HydrophobicContact CE2-CE1 4.45Å; F17-Y20 PolarHBondContact O-N 2.86Å; F17-M21 HydrophobicContact CD1-CE 3.52Å; F17-M21 HydrophobicContact CD1-CG 4.46Å; F17-M21 HydrophobicContact CD1-SD 4Å; F17-M21 HydrophobicContact CD2-CG 4.14Å; F17-M21 HydrophobicContact CE1-CE 3.65Å; F17-M21 HydrophobicContact CE1-CG 4.21Å; F17-M21 HydrophobicContact CE1-SD 3.52Å; F17-M21 VanDerWaalsContact CE1-SD 3.52Å; F17-M21 HydrophobicContact CE2-CG 3.85Å; F17-M21 HydrophobicContact CE2-SD 4.22Å; F17-M21 HydrophobicContact CG-CE 4.07Å; F17-M21 HydrophobicContact CG-CG 4.43Å; F17-M21 HydrophobicContact CZ-CE 4.29Å; F17-M21 HydrophobicContact CZ-CG 3.89Å; F17-M21 HydrophobicContact CZ-SD 3.63Å; F17-M21 WeakPolarHBondContact O-CG 3.28Å; F17-M21 PolarHBondContact O-N 2.88Å; F17-A34 HydrophobicContact CE1-CB 3.96Å |
| 18 | E | 97.6 | Very high | 97.6 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.3 | -48.1 | 174.9 | -179.4 | 64.7 | -165.2 | 0 | 0 | 111.6 | H16 M21 V22 R31 N35 | H16-E18 VanDerWaalsContact C-N 3.32Å; H16-E18 PolarHBondContact O-N 2.86Å; E18-M21 PolarHBondContact O-N 2.86Å; E18-V22 WeakPolarHBondContact O-CG2 3.37Å; E18-V22 PolarHBondContact O-N 2.84Å; E18-R31 IonicContact OE1-CZ 3.36Å; E18-R31 IonicContact OE1-NE 2.78Å; E18-R31 PolarHBondContact OE1-NE 2.67Å; E18-R31 IonicContact OE1-NH2 2.75Å; E18-R31 PolarHBondContact OE1-NH2 2.67Å; E18-R31 IonicContact OE2-NE 3.01Å; E18-N35 PolarHBondContact OE2-ND2 2.85Å |
| 19 | G | 98.1 | Very high | 97.4 | Very high | 27 Ų | 27 | 51 Ų | 51 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | H16 F17 V22 A23 | H16-G19 PolarHBondContact O-N 2.88Å; H16-G19 VanDerWaalsContact O-N 3.17Å; F17-G19 VanDerWaalsContact C-N 3.33Å; F17-G19 PolarHBondContact O-N 2.87Å; G19-V22 PolarHBondContact O-N 2.83Å; G19-A23 PolarHBondContact O-N 2.83Å |
| 20 | Y | 98.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 175 | 173.3 | -101.6 | 0 | 0 | 0 | 112.2 | H16 F17 V22 A23 L24 L120 C122 C127 | H16-Y20 PolarHBondContact O-N 3.42Å; F17-Y20 HydrophobicContact CD2-CD1 4.06Å; F17-Y20 HydrophobicContact CE2-CD1 4.02Å; F17-Y20 HydrophobicContact CE2-CE1 4.45Å; F17-Y20 PolarHBondContact O-N 2.86Å; Y20-V22 VanDerWaalsContact C-N 3.35Å; Y20-V22 PolarHBondContact O-N 2.91Å; Y20-A23 WeakPolarHBondContact O-CB 3.37Å; Y20-A23 PolarHBondContact O-N 3.16Å; Y20-L24 HydrophobicContact CD1-CD1 4Å; Y20-L24 HydrophobicContact CE1-CD1 3.35Å; Y20-L24 HydrophobicContact CE1-CG 4.26Å; Y20-L24 HydrophobicContact CE2-CD1 4.35Å; Y20-L24 PolarHBondContact O-N 3.1Å; Y20-L120 HydrophobicContact CD1-CD1 4.37Å; Y20-L120 HydrophobicContact CD2-CB 4.11Å; Y20-L120 HydrophobicContact CE1-CB 4.29Å; Y20-L120 HydrophobicContact CE1-CD1 4.1Å; Y20-L120 HydrophobicContact CE2-CB 3.83Å; Y20-L120 HydrophobicContact CG-CB 4.46Å; Y20-C122 HydrophobicContact CD2-CB 3.74Å; Y20-C122 HydrophobicContact CE2-CB 3.52Å; Y20-C127 HydrophobicContact CG-CB 4.11Å |
| 21 | M | 97.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -33.9 | 178 | -70.8 | -168.2 | -71.1 | 0 | 0 | 113 | F17 E18 L24 G25 I26 R31 A34 N35 | F17-M21 HydrophobicContact CD1-CE 3.52Å; F17-M21 HydrophobicContact CD1-CG 4.46Å; F17-M21 HydrophobicContact CD1-SD 4Å; F17-M21 HydrophobicContact CD2-CG 4.14Å; F17-M21 HydrophobicContact CE1-CE 3.65Å; F17-M21 HydrophobicContact CE1-CG 4.21Å; F17-M21 HydrophobicContact CE1-SD 3.52Å; F17-M21 VanDerWaalsContact CE1-SD 3.52Å; F17-M21 HydrophobicContact CE2-CG 3.85Å; F17-M21 HydrophobicContact CE2-SD 4.22Å; F17-M21 HydrophobicContact CG-CE 4.07Å; F17-M21 HydrophobicContact CG-CG 4.43Å; F17-M21 HydrophobicContact CZ-CE 4.29Å; F17-M21 HydrophobicContact CZ-CG 3.89Å; F17-M21 HydrophobicContact CZ-SD 3.63Å; F17-M21 WeakPolarHBondContact O-CG 3.28Å; F17-M21 PolarHBondContact O-N 2.88Å; E18-M21 PolarHBondContact O-N 2.86Å; M21-L24 PolarHBondContact O-N 3.13Å; M21-G25 PolarHBondContact O-N 2.76Å; M21-I26 HydrophobicContact CB-CB 4.26Å; M21-I26 HydrophobicContact CB-CD1 4.03Å; M21-I26 HydrophobicContact CG-CD1 3.93Å; M21-I26 WeakPolarHBondContact O-CB 3.05Å; M21-I26 PolarHBondContact O-N 3.05Å; M21-I26 HydrophobicContact SD-CD1 4.38Å; M21-R31 VanDerWaalsContact CB-CD 3.44Å; M21-R31 HydrophobicContact CB-CG 3.7Å; M21-R31 HydrophobicContact CE-CB 3.73Å; M21-R31 HydrophobicContact CE-CG 3.92Å; M21-R31 HydrophobicContact CG-CG 4.46Å; M21-R31 HydrophobicContact SD-CB 4.23Å; M21-R31 HydrophobicContact SD-CG 3.93Å; M21-A34 HydrophobicContact CE-CB 4.18Å; M21-A34 HydrophobicContact SD-CB 3.69Å; M21-N35 VanDerWaalsContact CE-ND2 3.28Å; M21-N35 WeakPolarHBondContact CE-ND2 3.41Å |
| 22 | V | 98.1 | Very high | 97 | Very high | 74 Ų | 74 | 56 Ų | 56 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 171.2 | 169 | 0 | 0 | 0 | 0 | 110.6 | E18 G19 Y20 L24 G25 R31 | E18-V22 WeakPolarHBondContact O-CG2 3.37Å; E18-V22 PolarHBondContact O-N 2.84Å; G19-V22 PolarHBondContact O-N 2.83Å; Y20-V22 VanDerWaalsContact C-N 3.35Å; Y20-V22 PolarHBondContact O-N 2.91Å; V22-L24 PolarHBondContact O-N 2.9Å; V22-G25 WeakPolarHBondContact O-CA 3.36Å; V22-G25 PolarHBondContact O-N 2.85Å; V22-R31 VanDerWaalsContact CG2-CZ 3.5Å |
| 23 | A | 98 | Very high | 96.9 | Very high | 8 Ų | 8 | 55 Ų | 55 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -33.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | G19 Y20 G25 K102 C122 K125 | G19-A23 PolarHBondContact O-N 2.83Å; Y20-A23 WeakPolarHBondContact O-CB 3.37Å; Y20-A23 PolarHBondContact O-N 3.16Å; A23-G25 PolarHBondContact O-N 3.04Å; A23-K102 WeakPolarHBondContact O-CD 3.29Å; A23-K102 WeakPolarHBondContact O-CE 3.29Å; A23-K102 PolarHBondContact O-NZ 3Å; A23-C122 HydrophobicContact CB-CB 4.31Å; A23-K125 HydrophobicContact CB-CB 4.24Å; A23-K125 HydrophobicContact CB-CG 3.78Å |
| 24 | L | 97.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.8 | 171.2 | -70.2 | 176.8 | 0 | 0 | 0 | 114.2 | Y20 M21 V22 I26 D79 R81 C122 | Y20-L24 HydrophobicContact CD1-CD1 4Å; Y20-L24 HydrophobicContact CE1-CD1 3.35Å; Y20-L24 HydrophobicContact CE1-CG 4.26Å; Y20-L24 HydrophobicContact CE2-CD1 4.35Å; Y20-L24 PolarHBondContact O-N 3.1Å; M21-L24 PolarHBondContact O-N 3.13Å; V22-L24 PolarHBondContact O-N 2.9Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 HydrophobicContact CB-CD1 4.24Å; L24-I26 HydrophobicContact CB-CG1 4.02Å; L24-I26 HydrophobicContact CD1-CD1 4.19Å; L24-D79 HydrophobicContact CB-CB 4.41Å; L24-D79 HydrophobicContact CD1-CB 4.44Å; L24-R81 VanDerWaalsContact O-CZ 3.27Å; L24-R81 PolarHBondContact O-NH1 2.96Å; L24-R81 PolarHBondContact O-NH2 2.97Å; L24-C122 HydrophobicContact CD2-CB 4.27Å |
| 25 | G | 96.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 55 Ų | 55 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 24.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | M21 V22 A23 | M21-G25 PolarHBondContact O-N 2.76Å; V22-G25 WeakPolarHBondContact O-CA 3.36Å; V22-G25 PolarHBondContact O-N 2.85Å; A23-G25 PolarHBondContact O-N 3.04Å |
| 26 | I | 96.3 | Very high | 96.4 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | trans | -71.9 | 136.8 | 175.4 | -60.8 | 179.3 | 0 | 0 | 0 | 109 | M21 L24 T30 R31 D79 | M21-I26 HydrophobicContact CB-CB 4.26Å; M21-I26 HydrophobicContact CB-CD1 4.03Å; M21-I26 HydrophobicContact CG-CD1 3.93Å; M21-I26 WeakPolarHBondContact O-CB 3.05Å; M21-I26 PolarHBondContact O-N 3.05Å; M21-I26 HydrophobicContact SD-CD1 4.38Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 HydrophobicContact CB-CD1 4.24Å; L24-I26 HydrophobicContact CB-CG1 4.02Å; L24-I26 HydrophobicContact CD1-CD1 4.19Å; I26-T30 HydrophobicContact CG2-CG2 3.56Å; I26-R31 HydrophobicContact CB-CG 3.98Å; I26-R31 HydrophobicContact CG2-CG 3.69Å; I26-R31 PolarHBondContact O-NH1 2.84Å; I26-D79 HydrophobicContact CD1-CB 4.34Å; I26-D79 HydrophobicContact CG1-CB 4.25Å | ||
| 27 | D | 96.1 | Very high | 96.2 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | trans | -67 | 155.4 | -178 | 73.1 | 89 | 0 | 0 | 0 | 113.1 | A29 T30 R31 | D27-A29 VanDerWaalsContact C-N 3.31Å; D27-A29 PolarHBondContact O-N 2.9Å; D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.44Å; D27-A29 VanDerWaalsContact OD1-N 3.07Å; D27-T30 PolarHBondContact O-N 2.78Å; D27-T30 PolarHBondContact OD1-N 3.1Å; D27-T30 PolarHBondContact OD1-OG1 3.28Å; D27-T30 VanDerWaalsContact OD2-CB 3.23Å; D27-T30 WeakPolarHBondContact OD2-CB 3.47Å; D27-T30 PolarHBondContact OD2-OG1 3.07Å; D27-R31 VanDerWaalsContact O-CG 3.31Å; D27-R31 WeakPolarHBondContact O-CG 3.38Å; D27-R31 PolarHBondContact O-N 2.97Å | ||
| 28 | F | 94.7 | Very high | 96 | Very high | 125 Ų | 125 | 58.9 Ų | 58.9 | 55% | 0.548 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.6 | -38.2 | -173.4 | 178.1 | -103.6 | 0 | 0 | 0 | 113.9 | R31 K32 | F28-R31 PolarHBondContact O-N 2.84Å; F28-K32 HydrophobicContact CD1-CG 4.41Å; F28-K32 HydrophobicContact CE1-CG 4.04Å; F28-K32 HydrophobicContact CE2-CG 4.28Å; F28-K32 HydrophobicContact CZ-CD 4.26Å; F28-K32 HydrophobicContact CZ-CG 3.99Å; F28-K32 WeakPolarHBondContact O-CG 3.4Å; F28-K32 PolarHBondContact O-N 2.69Å |
| 29 | A | 95.2 | Very high | 95.9 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 49% | 0.488 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69 | -45.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D27 R31 K32 I33 | D27-A29 VanDerWaalsContact C-N 3.31Å; D27-A29 PolarHBondContact O-N 2.9Å; D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.44Å; D27-A29 VanDerWaalsContact OD1-N 3.07Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 2.91Å; A29-K32 PolarHBondContact O-N 3.39Å; A29-I33 PolarHBondContact O-N 3.03Å |
| 30 | T | 94.5 | Very high | 95.9 | Very high | 38 Ų | 38 | 58.6 Ų | 58.6 | 23% | 0.233 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 174.9 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | I26 D27 K32 I33 A34 | I26-T30 HydrophobicContact CG2-CG2 3.56Å; D27-T30 PolarHBondContact O-N 2.78Å; D27-T30 PolarHBondContact OD1-N 3.1Å; D27-T30 PolarHBondContact OD1-OG1 3.28Å; D27-T30 VanDerWaalsContact OD2-CB 3.23Å; D27-T30 WeakPolarHBondContact OD2-CB 3.47Å; D27-T30 PolarHBondContact OD2-OG1 3.07Å; T30-K32 PolarHBondContact O-N 3.41Å; T30-I33 PolarHBondContact O-N 2.92Å; T30-A34 WeakPolarHBondContact O-CB 3.27Å; T30-A34 PolarHBondContact O-N 2.86Å |
| 31 | R | 96.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 58.5 Ų | 58.5 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 177.4 | -65.2 | -164.9 | -43 | -98.3 | 9.1 | 112.7 | E18 M21 V22 I26 D27 F28 A29 I33 A34 N35 | E18-R31 IonicContact OE1-CZ 3.36Å; E18-R31 IonicContact OE1-NE 2.78Å; E18-R31 PolarHBondContact OE1-NE 2.67Å; E18-R31 IonicContact OE1-NH2 2.75Å; E18-R31 PolarHBondContact OE1-NH2 2.67Å; E18-R31 IonicContact OE2-NE 3.01Å; M21-R31 VanDerWaalsContact CB-CD 3.44Å; M21-R31 HydrophobicContact CB-CG 3.7Å; M21-R31 HydrophobicContact CE-CB 3.73Å; M21-R31 HydrophobicContact CE-CG 3.92Å; M21-R31 HydrophobicContact CG-CG 4.46Å; M21-R31 HydrophobicContact SD-CB 4.23Å; M21-R31 HydrophobicContact SD-CG 3.93Å; V22-R31 VanDerWaalsContact CG2-CZ 3.5Å; I26-R31 HydrophobicContact CB-CG 3.98Å; I26-R31 HydrophobicContact CG2-CG 3.69Å; I26-R31 PolarHBondContact O-NH1 2.84Å; D27-R31 VanDerWaalsContact O-CG 3.31Å; D27-R31 WeakPolarHBondContact O-CG 3.38Å; D27-R31 PolarHBondContact O-N 2.97Å; F28-R31 PolarHBondContact O-N 2.84Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 2.91Å; R31-I33 VanDerWaalsContact C-N 3.33Å; R31-I33 PolarHBondContact O-N 2.82Å; R31-A34 PolarHBondContact O-N 3.44Å; R31-N35 PolarHBondContact O-N 2.92Å; R31-N35 PolarHBondContact O-ND2 2.84Å |
| 32 | K | 95.5 | Very high | 95.9 | Very high | 119 Ų | 119 | 59.7 Ų | 59.7 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 176.7 | -78.6 | -68.2 | -174.5 | -176.5 | 0 | 111.9 | F28 A29 T30 M36 | F28-K32 HydrophobicContact CD1-CG 4.41Å; F28-K32 HydrophobicContact CE1-CG 4.04Å; F28-K32 HydrophobicContact CE2-CG 4.28Å; F28-K32 HydrophobicContact CZ-CD 4.26Å; F28-K32 HydrophobicContact CZ-CG 3.99Å; F28-K32 WeakPolarHBondContact O-CG 3.4Å; F28-K32 PolarHBondContact O-N 2.69Å; A29-K32 PolarHBondContact O-N 3.39Å; T30-K32 PolarHBondContact O-N 3.41Å; K32-M36 WeakPolarHBondContact O-CE 3.36Å |
| 33 | I | 95.2 | Very high | 95.9 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 33% | 0.328 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.6 | -50.8 | 176.1 | -63.8 | 168.6 | 0 | 0 | 0 | 110 | A29 T30 R31 N35 M36 L37 F58 | A29-I33 PolarHBondContact O-N 3.03Å; T30-I33 PolarHBondContact O-N 2.92Å; R31-I33 VanDerWaalsContact C-N 3.33Å; R31-I33 PolarHBondContact O-N 2.82Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 2.82Å; I33-M36 PolarHBondContact O-N 2.79Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-F58 HydrophobicContact CD1-CZ 4.5Å; I33-F58 HydrophobicContact CG2-CB 4.42Å; I33-F58 HydrophobicContact CG2-CD1 4.2Å; I33-F58 HydrophobicContact CG2-CD2 4.24Å; I33-F58 HydrophobicContact CG2-CG 4.04Å |
| 34 | A | 94.9 | Very high | 95.9 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60 | -37.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | F17 M21 T30 R31 M36 L37 | F17-A34 HydrophobicContact CE1-CB 3.96Å; M21-A34 HydrophobicContact CE-CB 4.18Å; M21-A34 HydrophobicContact SD-CB 3.69Å; T30-A34 WeakPolarHBondContact O-CB 3.27Å; T30-A34 PolarHBondContact O-N 2.86Å; R31-A34 PolarHBondContact O-N 3.44Å; A34-M36 PolarHBondContact O-N 3.24Å; A34-L37 PolarHBondContact O-N 3.33Å |
| 35 | N | 94.8 | Very high | 95.9 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.6 | -20.3 | 176.9 | -78.2 | -69.2 | 0 | 0 | 0 | 114 | E18 M21 R31 I33 | E18-N35 PolarHBondContact OE2-ND2 2.85Å; M21-N35 VanDerWaalsContact CE-ND2 3.28Å; M21-N35 WeakPolarHBondContact CE-ND2 3.41Å; R31-N35 PolarHBondContact O-N 2.92Å; R31-N35 PolarHBondContact O-ND2 2.84Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 2.82Å |
| 36 | M | 94.2 | Very high | 95.9 | Very high | 145 Ų | 145 | 64.9 Ų | 64.9 | 71% | 0.714 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -87.3 | -11.7 | 177.3 | -61.8 | -176.3 | -67.2 | 0 | 0 | 112.6 | K32 I33 A34 | K32-M36 WeakPolarHBondContact O-CE 3.36Å; I33-M36 PolarHBondContact O-N 2.79Å; A34-M36 PolarHBondContact O-N 3.24Å |
| 37 | L | 94 | Very high | 95.8 | Very high | 29 Ų | 29 | 67.7 Ų | 67.7 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | trans | -81 | 148.4 | -177.2 | -56.2 | 177.1 | 0 | 0 | 0 | 110.8 | I33 A34 T56 T57 F58 | I33-L37 WeakPolarHBondContact O-CG 3.4Å; A34-L37 PolarHBondContact O-N 3.33Å; L37-T56 HydrophobicContact CB-CG2 4.49Å; L37-T56 HydrophobicContact CD1-CG2 4.19Å; L37-T57 WeakPolarHBondContact CD2-OG1 3.2Å; L37-F58 HydrophobicContact CD1-CB 3.71Å; L37-F58 HydrophobicContact CD2-CB 4.4Å | ||
| 38 | K | 93.9 | Very high | 95.8 | Very high | 176 Ų | 176 | 66.7 Ų | 66.7 | 77% | 0.765 | 34% | 0.344 | S | S | * | . | trans | -117.4 | 92.4 | 168.4 | -63.9 | -174 | 179.9 | -173.6 | 0 | 107.8 | ||||
| 39 | P | 94.9 | Very high | 96 | Very high | 17 Ų | 17 | 63.3 Ų | 63.3 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | trans | -63.2 | 143.5 | 179.3 | -13.8 | 26.3 | 0 | 0 | 0 | 111.7 | M11 T54 L55 T56 Y131 | M11-P39 VanDerWaalsContact CB-O 3.29Å; M11-P39 WeakPolarHBondContact CB-O 3.47Å; M11-P39 HydrophobicContact CE-CB 4.39Å; M11-P39 VanDerWaalsContact CE-CD 3.41Å; M11-P39 HydrophobicContact CE-CG 3.6Å; M11-P39 PolarHBondContact N-O 2.99Å; M11-P39 WeakPolarHBondContact SD-CD 3.47Å; M11-P39 HydrophobicContact SD-CG 4.28Å; P39-T54 HydrophobicContact CB-CG2 3.84Å; P39-L55 CarbonylContact C-O 3.58Å; P39-L55 WeakPolarHBondContact CA-O 3.13Å; P39-T56 HydrophobicContact CB-CG2 3.82Å; P39-T56 HydrophobicContact CG-CG2 3.97Å; P39-Y131 WeakPolarHBondContact O-CE1 3.28Å | ||
| 40 | Q | 97.5 | Very high | 96.1 | Very high | 67 Ų | 67 | 60.6 Ų | 60.6 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136.9 | 162.5 | -178.6 | 176.5 | 81 | 0 | 0 | 108.5 | T8 W9 D10 L55 | T8-Q40 HydrophobicContact CG2-CG 3.5Å; W9-Q40 CarbonylContact O-C 3.57Å; W9-Q40 WeakPolarHBondContact O-CA 3.37Å; D10-Q40 WeakPolarHBondContact OD1-CG 3.12Å; D10-Q40 PolarHBondContact OD1-NE2 2.92Å; Q40-L55 HydrophobicContact CB-CB 4.47Å; Q40-L55 PolarHBondContact N-O 2.87Å; Q40-L55 PolarHBondContact O-N 3.49Å |
| 41 | K | 98.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 60.3 Ų | 60.3 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132 | 171.1 | -74.8 | -179.3 | -177.9 | -68.2 | 0 | 109.8 | T8 W9 K53 T54 L116 Y131 | T8-K41 CarbonylContact C-O 3.57Å; T8-K41 WeakPolarHBondContact CA-O 3.34Å; W9-K41 HydrophobicContact CB-CB 4.24Å; W9-K41 PolarHBondContact N-O 2.82Å; W9-K41 PolarHBondContact O-N 2.83Å; K41-K53 CarbonylContact C-O 3.54Å; K41-K53 VanDerWaalsContact CA-O 3.24Å; K41-K53 WeakPolarHBondContact CA-O 3.12Å; K41-T54 PolarHBondContact NZ-OG1 3.38Å; K41-L116 HydrophobicContact CD-CD2 4.15Å; K41-Y131 HydrophobicContact CB-CE1 4.49Å; K41-Y131 HydrophobicContact CD-CD1 4.33Å; K41-Y131 HydrophobicContact CD-CD2 4.4Å; K41-Y131 HydrophobicContact CD-CE1 3.92Å; K41-Y131 HydrophobicContact CD-CE2 3.99Å; K41-Y131 WeakPolarHBondContact CE-OH 3.23Å; K41-Y131 HydrophobicContact CG-CD1 4.34Å; K41-Y131 HydrophobicContact CG-CE1 3.83Å |
| 42 | V | 98.5 | Very high | 96.4 | Very high | 28 Ų | 28 | 58.9 Ų | 58.9 | 17% | 0.17 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 118.7 | 167.7 | -176.5 | 0 | 0 | 0 | 0 | 107.1 | T8 K53 L55 | T8-V42 HydrophobicContact CG2-CG2 4.2Å; V42-K53 HydrophobicContact CB-CB 4.23Å; V42-K53 PolarHBondContact N-O 2.61Å; V42-K53 PolarHBondContact O-N 2.83Å; V42-L55 HydrophobicContact CG2-CD1 3.98Å |
| 43 | I | 98.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.8 | -180 | -56.2 | 179.3 | 0 | 0 | 0 | 108.3 | Y5 S6 G7 F50 I52 L116 | Y5-I43 HydrophobicContact CD1-CD1 4.5Å; Y5-I43 WeakPolarHBondContact O-CB 3.32Å; S6-I43 WeakPolarHBondContact CA-O 3.39Å; G7-I43 PolarHBondContact N-O 3.3Å; G7-I43 PolarHBondContact O-N 2.71Å; I43-F50 HydrophobicContact CG2-CD1 4.26Å; I43-I52 HydrophobicContact CG1-CG1 4.25Å; I43-I52 HydrophobicContact CG1-CG2 4.3Å; I43-I52 HydrophobicContact CG2-CG1 4.33Å; I43-L116 HydrophobicContact CD1-CD2 3.73Å |
| 44 | E | 98.3 | Very high | 96.7 | Very high | 91 Ų | 91 | 54.1 Ų | 54.1 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.3 | 172.7 | -68 | 162.3 | -165.3 | 0 | 0 | 107.1 | F50 T51 K53 | E44-F50 CarbonylContact O-C 3.6Å; E44-F50 WeakPolarHBondContact O-CA 3.35Å; E44-T51 PolarHBondContact N-O 3.25Å; E44-T51 PolarHBondContact O-N 2.86Å; E44-K53 IonicContact OE1-NZ 2.92Å; E44-K53 PolarHBondContact OE1-NZ 3.31Å; E44-K53 IonicContact OE2-NZ 3.75Å; E44-K53 PolarHBondContact OE2-NZ 2.85Å |
| 45 | Q | 97.1 | Very high | 96.8 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.9 | 178.5 | 178.1 | 178.9 | -13.7 | 0 | 0 | 109.8 | I3 S6 F50 | I3-Q45 PolarHBondContact O-NE2 2.74Å; I3-Q45 PolarHBondContact O-OE1 2.87Å; S6-Q45 WeakPolarHBondContact OG-CB 3.43Å; S6-Q45 PolarHBondContact OG-N 2.88Å; Q45-F50 HydrophobicContact CB-CD1 4.05Å; Q45-F50 HydrophobicContact CB-CE1 3.79Å; Q45-F50 HydrophobicContact CB-CZ 4.24Å; Q45-F50 VanDerWaalsContact CD-CE1 3.44Å; Q45-F50 HydrophobicContact CG-CD1 4.14Å; Q45-F50 HydrophobicContact CG-CE1 3.55Å; Q45-F50 HydrophobicContact CG-CE2 3.99Å; Q45-F50 HydrophobicContact CG-CZ 3.47Å; Q45-F50 VanDerWaalsContact CG-CZ 3.47Å |
| 46 | D | 96.7 | Very high | 96.8 | Very high | 123 Ų | 123 | 54.2 Ų | 54.2 | 66% | 0.658 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 95.8 | 172.2 | -178.9 | 19.8 | 0 | 0 | 0 | 109.2 | D48 S49 | D46-D48 PolarHBondContact O-N 3.3Å; D46-S49 PolarHBondContact N-O 2.77Å; D46-S49 WeakPolarHBondContact O-CB 3.34Å; D46-S49 PolarHBondContact O-N 3.24Å |
| 47 | S | 94.1 | Very high | 96.5 | Very high | 85 Ų | 85 | 54 Ų | 54 | 59% | 0.594 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | -105.5 | -171.2 | -170 | 0 | 0 | 0 | 0 | 111.4 | ||
| 48 | D | 95.9 | Very high | 96.2 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -2.9 | 179 | -66.2 | -39.5 | 0 | 0 | 0 | 113 | D46 K66 I67 | D46-D48 PolarHBondContact O-N 3.3Å; D48-K66 HydrophobicContact CB-CG 4.23Å; D48-K66 CarbonylContact O-C 3.6Å; D48-K66 WeakPolarHBondContact O-CA 3.48Å; D48-I67 HydrophobicContact CB-CB 4.16Å; D48-I67 HydrophobicContact CB-CG1 4.32Å; D48-I67 WeakPolarHBondContact O-CG1 3.4Å; D48-I67 PolarHBondContact O-N 2.57Å |
| 49 | S | 97.9 | Very high | 96 | Very high | 55 Ų | 55 | 53 Ų | 53 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 130.2 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | D46 | D46-S49 PolarHBondContact N-O 2.77Å; D46-S49 WeakPolarHBondContact O-CB 3.34Å; D46-S49 PolarHBondContact O-N 3.24Å |
| 50 | F | 98.5 | Very high | 96 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.8 | -179.7 | -75.6 | -100.7 | 0 | 0 | 0 | 110.5 | I43 E44 Q45 S64 F65 I67 W89 L94 | I43-F50 HydrophobicContact CG2-CD1 4.26Å; E44-F50 CarbonylContact O-C 3.6Å; E44-F50 WeakPolarHBondContact O-CA 3.35Å; Q45-F50 HydrophobicContact CB-CD1 4.05Å; Q45-F50 HydrophobicContact CB-CE1 3.79Å; Q45-F50 HydrophobicContact CB-CZ 4.24Å; Q45-F50 VanDerWaalsContact CD-CE1 3.44Å; Q45-F50 HydrophobicContact CG-CD1 4.14Å; Q45-F50 HydrophobicContact CG-CE1 3.55Å; Q45-F50 HydrophobicContact CG-CE2 3.99Å; Q45-F50 HydrophobicContact CG-CZ 3.47Å; Q45-F50 VanDerWaalsContact CG-CZ 3.47Å; F50-S64 CarbonylContact O-C 3.56Å; F50-S64 WeakPolarHBondContact O-CA 3.18Å; F50-F65 HydrophobicContact CB-CD1 4.23Å; F50-F65 HydrophobicContact CB-CD2 4.05Å; F50-F65 HydrophobicContact CB-CE1 3.74Å; F50-F65 HydrophobicContact CB-CE2 3.53Å; F50-F65 HydrophobicContact CB-CG 4.37Å; F50-F65 HydrophobicContact CB-CZ 3.36Å; F50-F65 HydrophobicContact CD1-CZ 4.32Å; F50-F65 HydrophobicContact CD2-CD2 4.49Å; F50-F65 AromaticContact CD2-CE2 3.8Å; F50-F65 HydrophobicContact CD2-CE2 3.8Å; F50-F65 HydrophobicContact CD2-CZ 4.28Å; F50-F65 AromaticContact CG-CE2 3.75Å; F50-F65 HydrophobicContact CG-CE2 3.75Å; F50-F65 AromaticContact CG-CZ 3.76Å; F50-F65 HydrophobicContact CG-CZ 3.76Å; F50-F65 PolarHBondContact N-O 3.16Å; F50-F65 PolarHBondContact O-N 2.83Å; F50-I67 HydrophobicContact CD2-CD1 4.05Å; F50-I67 HydrophobicContact CD2-CG1 4.04Å; F50-I67 HydrophobicContact CE2-CD1 3.79Å; F50-I67 HydrophobicContact CE2-CG1 3.7Å; F50-W89 HydrophobicContact CE2-CZ2 4.28Å; F50-W89 HydrophobicContact CZ-CH2 4.22Å; F50-W89 AromaticContact CZ-CZ2 3.8Å; F50-W89 HydrophobicContact CZ-CZ2 3.8Å; F50-L94 HydrophobicContact CD1-CD1 4.2Å; F50-L94 HydrophobicContact CE1-CD1 3.72Å; F50-L94 HydrophobicContact CZ-CD1 4.06Å; F50-L94 HydrophobicContact CZ-CD2 4.21Å |
| 51 | T | 98.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 19% | 0.19 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.7 | 161.7 | -66.7 | 0 | 0 | 0 | 0 | 108.8 | E44 K53 T62 V63 S64 | E44-T51 PolarHBondContact N-O 3.25Å; E44-T51 PolarHBondContact O-N 2.86Å; T51-K53 HydrophobicContact CG2-CG 4.29Å; T51-T62 HydrophobicContact CG2-CG2 3.83Å; T51-V63 WeakPolarHBondContact CA-O 3.3Å; T51-S64 WeakPolarHBondContact CG2-OG 3.43Å; T51-S64 PolarHBondContact OG1-OG 2.95Å |
| 52 | I | 98.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117.4 | 177.6 | -56.6 | -178.9 | 0 | 0 | 0 | 108.3 | I43 T62 V63 F65 W107 | I43-I52 HydrophobicContact CG1-CG1 4.25Å; I43-I52 HydrophobicContact CG1-CG2 4.3Å; I43-I52 HydrophobicContact CG2-CG1 4.33Å; I52-T62 WeakPolarHBondContact O-CA 3.44Å; I52-V63 HydrophobicContact CB-CG1 3.99Å; I52-V63 PolarHBondContact N-O 2.96Å; I52-V63 PolarHBondContact O-N 3.28Å; I52-F65 HydrophobicContact CD1-CE1 3.83Å; I52-F65 HydrophobicContact CD1-CZ 4.07Å; I52-F65 HydrophobicContact CG1-CE1 4.15Å; I52-W107 HydrophobicContact CD1-CH2 4.25Å |
| 53 | K | 98.3 | Very high | 95.8 | Very high | 62 Ų | 62 | 57 Ų | 57 | 27% | 0.27 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122 | 173.6 | -58.8 | 166.1 | -174.6 | 160.6 | 0 | 108.2 | K41 V42 E44 T51 L55 Y61 T62 | K41-K53 CarbonylContact C-O 3.54Å; K41-K53 VanDerWaalsContact CA-O 3.24Å; K41-K53 WeakPolarHBondContact CA-O 3.12Å; V42-K53 HydrophobicContact CB-CB 4.23Å; V42-K53 PolarHBondContact N-O 2.61Å; V42-K53 PolarHBondContact O-N 2.83Å; E44-K53 IonicContact OE1-NZ 2.92Å; E44-K53 PolarHBondContact OE1-NZ 3.31Å; E44-K53 IonicContact OE2-NZ 3.75Å; E44-K53 PolarHBondContact OE2-NZ 2.85Å; T51-K53 HydrophobicContact CG2-CG 4.29Å; K53-L55 HydrophobicContact CB-CD2 4.25Å; K53-L55 HydrophobicContact CB-CG 4.49Å; K53-Y61 CarbonylContact C-O 3.58Å; K53-Y61 WeakPolarHBondContact CA-O 3.46Å; K53-T62 HydrophobicContact CG-CG2 3.88Å |
| 54 | T | 97.6 | Very high | 95.8 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112.8 | 170.2 | -58.3 | 0 | 0 | 0 | 0 | 108.2 | P39 K41 N60 Y61 | P39-T54 HydrophobicContact CB-CG2 3.84Å; K41-T54 PolarHBondContact NZ-OG1 3.38Å; T54-N60 WeakPolarHBondContact O-CA 3.21Å; T54-Y61 PolarHBondContact N-O 2.79Å; T54-Y61 PolarHBondContact O-N 2.74Å |
| 55 | L | 97.1 | Very high | 95.8 | Very high | 55 Ų | 55 | 56.2 Ų | 56.2 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.9 | -171.5 | -54.3 | 178.4 | 0 | 0 | 0 | 110.3 | P39 Q40 V42 K53 N60 | P39-L55 CarbonylContact C-O 3.58Å; P39-L55 WeakPolarHBondContact CA-O 3.13Å; Q40-L55 HydrophobicContact CB-CB 4.47Å; Q40-L55 PolarHBondContact N-O 2.87Å; Q40-L55 PolarHBondContact O-N 3.49Å; V42-L55 HydrophobicContact CG2-CD1 3.98Å; K53-L55 HydrophobicContact CB-CD2 4.25Å; K53-L55 HydrophobicContact CB-CG 4.49Å; L55-N60 VanDerWaalsContact CA-OD1 3.31Å; L55-N60 WeakPolarHBondContact CA-OD1 3.48Å; L55-N60 HydrophobicContact CD2-CB 4.16Å |
| 56 | T | 94.1 | Very high | 95.9 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | trans | -140 | 171.5 | 173.7 | 75 | 0 | 0 | 0 | 0 | 110.4 | L37 P39 F58 K59 N60 | L37-T56 HydrophobicContact CB-CG2 4.49Å; L37-T56 HydrophobicContact CD1-CG2 4.19Å; P39-T56 HydrophobicContact CB-CG2 3.82Å; P39-T56 HydrophobicContact CG-CG2 3.97Å; T56-F58 PolarHBondContact O-N 2.91Å; T56-F58 PolarHBondContact OG1-N 2.94Å; T56-F58 VanDerWaalsContact OG1-N 3.15Å; T56-K59 PolarHBondContact OG1-N 2.48Å; T56-K59 PolarHBondContact OG1-O 2.96Å; T56-N60 PolarHBondContact N-OD1 2.85Å; T56-N60 PolarHBondContact O-OD1 2.85Å; T56-N60 VanDerWaalsContact O-OD1 3.05Å | ||
| 57 | T | 89.5 | Confident | 96 | Very high | 141 Ų | 141 | 54 Ų | 54 | 87% | 0.865 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -74.9 | -6.3 | 172.4 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | L37 | L37-T57 WeakPolarHBondContact CD2-OG1 3.2Š|
| 58 | F | 87.9 | Confident | 96.2 | Very high | 99 Ų | 99 | 52 Ų | 52 | 43% | 0.434 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -110.5 | -61.2 | -176.7 | -175.2 | -121.6 | 0 | 0 | 0 | 112.5 | I33 L37 T56 | I33-F58 HydrophobicContact CD1-CZ 4.5Å; I33-F58 HydrophobicContact CG2-CB 4.42Å; I33-F58 HydrophobicContact CG2-CD1 4.2Å; I33-F58 HydrophobicContact CG2-CD2 4.24Å; I33-F58 HydrophobicContact CG2-CG 4.04Å; L37-F58 HydrophobicContact CD1-CB 3.71Å; L37-F58 HydrophobicContact CD2-CB 4.4Å; T56-F58 PolarHBondContact O-N 2.91Å; T56-F58 PolarHBondContact OG1-N 2.94Å; T56-F58 VanDerWaalsContact OG1-N 3.15Å |
| 59 | K | 88.7 | Confident | 96.3 | Very high | 84 Ų | 84 | 53.6 Ų | 53.6 | 37% | 0.365 | 30% | 0.296 | S | S | . | . | trans | -140 | 138.1 | 179.6 | -69.8 | -174.8 | -177.8 | 179.6 | 0 | 110.5 | T56 A77 | T56-K59 PolarHBondContact OG1-N 2.48Å; T56-K59 PolarHBondContact OG1-O 2.96Å; K59-A77 HydrophobicContact CB-CB 4.27Å; K59-A77 WeakPolarHBondContact CD-O 3.44Å | ||
| 60 | N | 94.4 | Very high | 96.3 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | trans | -104.8 | 145.7 | 175.9 | -62.7 | -26.4 | 0 | 0 | 0 | 109.8 | T54 L55 T56 A77 | T54-N60 WeakPolarHBondContact O-CA 3.21Å; L55-N60 VanDerWaalsContact CA-OD1 3.31Å; L55-N60 WeakPolarHBondContact CA-OD1 3.48Å; L55-N60 HydrophobicContact CD2-CB 4.16Å; T56-N60 PolarHBondContact N-OD1 2.85Å; T56-N60 PolarHBondContact O-OD1 2.85Å; T56-N60 VanDerWaalsContact O-OD1 3.05Å; N60-A77 WeakPolarHBondContact O-CB 3.4Å | ||
| 61 | Y | 96.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 57.9 Ų | 57.9 | 13% | 0.129 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.5 | 178.2 | -178.1 | -114 | 0 | 0 | 0 | 110.5 | K53 T54 V63 E73 A77 M78 | K53-Y61 CarbonylContact C-O 3.58Å; K53-Y61 WeakPolarHBondContact CA-O 3.46Å; T54-Y61 PolarHBondContact N-O 2.79Å; T54-Y61 PolarHBondContact O-N 2.74Å; Y61-V63 HydrophobicContact CE1-CB 3.91Å; Y61-V63 HydrophobicContact CE1-CG1 4.23Å; Y61-E73 WeakPolarHBondContact OH-CG 3.38Å; Y61-E73 PolarHBondContact OH-OE1 3.18Å; Y61-A77 HydrophobicContact CD2-CB 4.25Å; Y61-M78 VanDerWaalsContact CB-CE 3.48Å; Y61-M78 HydrophobicContact CD2-CG 4.46Å; Y61-M78 HydrophobicContact CG-CE 4.29Å; Y61-M78 HydrophobicContact CG-CG 4.22Å |
| 62 | T | 97.4 | Very high | 96.3 | Very high | 73 Ų | 73 | 61.4 Ų | 61.4 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133 | 176 | -56.7 | 0 | 0 | 0 | 0 | 108.4 | T51 I52 K53 | T51-T62 HydrophobicContact CG2-CG2 3.83Å; I52-T62 WeakPolarHBondContact O-CA 3.44Å; K53-T62 HydrophobicContact CG-CG2 3.88Å |
| 63 | V | 97.7 | Very high | 96.3 | Very high | 14 Ų | 14 | 61.6 Ų | 61.6 | 9% | 0.085 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.5 | 170.9 | 63.1 | 0 | 0 | 0 | 0 | 108.8 | T51 I52 Y61 F65 F71 E73 | T51-V63 WeakPolarHBondContact CA-O 3.3Å; I52-V63 HydrophobicContact CB-CG1 3.99Å; I52-V63 PolarHBondContact N-O 2.96Å; I52-V63 PolarHBondContact O-N 3.28Å; Y61-V63 HydrophobicContact CE1-CB 3.91Å; Y61-V63 HydrophobicContact CE1-CG1 4.23Å; V63-F65 HydrophobicContact CG1-CD1 4.49Å; V63-F65 HydrophobicContact CG1-CE1 4.5Å; V63-F65 HydrophobicContact CG2-CD1 4.28Å; V63-F71 HydrophobicContact CG2-CE2 3.9Å; V63-F71 HydrophobicContact CG2-CZ 3.7Å; V63-E73 HydrophobicContact CG2-CG 4.43Å |
| 64 | S | 98.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 46% | 0.462 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 108.6 | F50 T51 | F50-S64 CarbonylContact O-C 3.56Å; F50-S64 WeakPolarHBondContact O-CA 3.18Å; T51-S64 WeakPolarHBondContact CG2-OG 3.43Å; T51-S64 PolarHBondContact OG1-OG 2.95Å |
| 65 | F | 98.5 | Very high | 96 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 164.2 | -175.5 | 60 | -91.7 | 0 | 0 | 0 | 110.6 | F50 I52 V63 I67 F71 V87 W107 | F50-F65 HydrophobicContact CB-CD1 4.23Å; F50-F65 HydrophobicContact CB-CD2 4.05Å; F50-F65 HydrophobicContact CB-CE1 3.74Å; F50-F65 HydrophobicContact CB-CE2 3.53Å; F50-F65 HydrophobicContact CB-CG 4.37Å; F50-F65 HydrophobicContact CB-CZ 3.36Å; F50-F65 HydrophobicContact CD1-CZ 4.32Å; F50-F65 HydrophobicContact CD2-CD2 4.49Å; F50-F65 AromaticContact CD2-CE2 3.8Å; F50-F65 HydrophobicContact CD2-CE2 3.8Å; F50-F65 HydrophobicContact CD2-CZ 4.28Å; F50-F65 AromaticContact CG-CE2 3.75Å; F50-F65 HydrophobicContact CG-CE2 3.75Å; F50-F65 AromaticContact CG-CZ 3.76Å; F50-F65 HydrophobicContact CG-CZ 3.76Å; F50-F65 PolarHBondContact N-O 3.16Å; F50-F65 PolarHBondContact O-N 2.83Å; I52-F65 HydrophobicContact CD1-CE1 3.83Å; I52-F65 HydrophobicContact CD1-CZ 4.07Å; I52-F65 HydrophobicContact CG1-CE1 4.15Å; V63-F65 HydrophobicContact CG1-CD1 4.49Å; V63-F65 HydrophobicContact CG1-CE1 4.5Å; V63-F65 HydrophobicContact CG2-CD1 4.28Å; F65-I67 HydrophobicContact CE2-CD1 3.97Å; F65-F71 HydrophobicContact CB-CD1 3.98Å; F65-F71 HydrophobicContact CB-CE1 3.41Å; F65-F71 VanDerWaalsContact CB-CE1 3.41Å; F65-F71 HydrophobicContact CB-CZ 3.84Å; F65-F71 HydrophobicContact CG-CE1 4.35Å; F65-V87 HydrophobicContact CD1-CG2 4.16Å; F65-V87 HydrophobicContact CD2-CB 3.65Å; F65-V87 HydrophobicContact CD2-CG1 4.23Å; F65-V87 HydrophobicContact CD2-CG2 3.65Å; F65-V87 HydrophobicContact CE1-CG2 4.2Å; F65-V87 HydrophobicContact CE2-CB 3.54Å; F65-V87 HydrophobicContact CE2-CG1 3.58Å; F65-V87 HydrophobicContact CE2-CG2 3.71Å; F65-V87 HydrophobicContact CG-CB 4.38Å; F65-V87 HydrophobicContact CG-CG2 3.89Å; F65-V87 HydrophobicContact CZ-CB 4.2Å; F65-V87 HydrophobicContact CZ-CG1 3.99Å; F65-V87 HydrophobicContact CZ-CG2 3.98Å; F65-W107 HydrophobicContact CE1-CH2 4.31Å; F65-W107 HydrophobicContact CE1-CZ2 4.4Å; F65-W107 HydrophobicContact CZ-CH2 4.1Å |
| 66 | K | 98.4 | Very high | 95.6 | Very high | 84 Ų | 84 | 66.3 Ų | 66.3 | 37% | 0.365 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.9 | 168.7 | -176.1 | 167.1 | 165.9 | -144.8 | 0 | 109.2 | D48 G68 E69 | D48-K66 HydrophobicContact CB-CG 4.23Å; D48-K66 CarbonylContact O-C 3.6Å; D48-K66 WeakPolarHBondContact O-CA 3.48Å; K66-G68 PolarHBondContact O-N 3.05Å; K66-E69 HydrophobicContact CB-CB 4.33Å; K66-E69 HydrophobicContact CB-CG 4.34Å; K66-E69 VanDerWaalsContact CD-OE1 3.28Å; K66-E69 WeakPolarHBondContact CD-OE1 3.49Å; K66-E69 VanDerWaalsContact CE-OE1 3.27Å; K66-E69 WeakPolarHBondContact CE-OE1 3.26Å; K66-E69 HydrophobicContact CG-CG 4.39Å; K66-E69 IonicContact NZ-OE1 3.78Å; K66-E69 PolarHBondContact NZ-OE1 3.02Å; K66-E69 PolarHBondContact O-N 2.87Å; K66-E69 VanDerWaalsContact O-N 3.15Å |
| 67 | I | 98.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 66 Ų | 66 | 14% | 0.138 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 131.1 | -178.7 | -62.7 | -64.5 | 0 | 0 | 0 | 110.4 | D48 F50 F65 E69 V87 W89 L94 | D48-I67 HydrophobicContact CB-CB 4.16Å; D48-I67 HydrophobicContact CB-CG1 4.32Å; D48-I67 WeakPolarHBondContact O-CG1 3.4Å; D48-I67 PolarHBondContact O-N 2.57Å; F50-I67 HydrophobicContact CD2-CD1 4.05Å; F50-I67 HydrophobicContact CD2-CG1 4.04Å; F50-I67 HydrophobicContact CE2-CD1 3.79Å; F50-I67 HydrophobicContact CE2-CG1 3.7Å; F65-I67 HydrophobicContact CE2-CD1 3.97Å; I67-E69 PolarHBondContact O-N 2.79Å; I67-V87 WeakPolarHBondContact CA-O 3.1Å; I67-V87 HydrophobicContact CD1-CG1 4.16Å; I67-W89 HydrophobicContact CG2-CG 4.48Å; I67-L94 HydrophobicContact CD1-CD2 3.56Å |
| 68 | G | 98.2 | Very high | 95.3 | Very high | 43 Ų | 43 | 63 Ų | 63 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -7.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K66 V87 N88 | K66-G68 PolarHBondContact O-N 3.05Å; G68-V87 PolarHBondContact N-O 3.14Å; G68-N88 WeakPolarHBondContact CA-OD1 3.45Å |
| 69 | E | 98.5 | Very high | 95.6 | Very high | 99 Ų | 99 | 59.3 Ų | 59.3 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | trans | -97.8 | 120.3 | -179.9 | -63.8 | -175.7 | -169.5 | 0 | 0 | 110.4 | K66 I67 | K66-E69 HydrophobicContact CB-CB 4.33Å; K66-E69 HydrophobicContact CB-CG 4.34Å; K66-E69 VanDerWaalsContact CD-OE1 3.28Å; K66-E69 WeakPolarHBondContact CD-OE1 3.49Å; K66-E69 VanDerWaalsContact CE-OE1 3.27Å; K66-E69 WeakPolarHBondContact CE-OE1 3.26Å; K66-E69 HydrophobicContact CG-CG 4.39Å; K66-E69 IonicContact NZ-OE1 3.78Å; K66-E69 PolarHBondContact NZ-OE1 3.02Å; K66-E69 PolarHBondContact O-N 2.87Å; K66-E69 VanDerWaalsContact O-N 3.15Å; I67-E69 PolarHBondContact O-N 2.79Å | ||
| 70 | E | 98.4 | Very high | 95.8 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | trans | -74.5 | 136.3 | 175.2 | -165.1 | 170.4 | -123.8 | 0 | 0 | 109.7 | Q84 T85 V86 K99 | E70-Q84 HydrophobicContact CG-CB 4.43Å; E70-T85 CarbonylContact C-O 3.57Å; E70-T85 WeakPolarHBondContact CA-O 3.23Å; E70-V86 HydrophobicContact CB-CB 4.27Å; E70-V86 HydrophobicContact CG-CB 4.35Å; E70-K99 IonicContact OE1-NZ 2.71Å; E70-K99 PolarHBondContact OE1-NZ 2.96Å | ||
| 71 | F | 98.5 | Very high | 95.9 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 20% | 0.197 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 160.7 | -179 | 70.5 | -79.5 | 0 | 0 | 0 | 111.6 | V63 F65 E73 T85 | V63-F71 HydrophobicContact CG2-CE2 3.9Å; V63-F71 HydrophobicContact CG2-CZ 3.7Å; F65-F71 HydrophobicContact CB-CD1 3.98Å; F65-F71 HydrophobicContact CB-CE1 3.41Å; F65-F71 VanDerWaalsContact CB-CE1 3.41Å; F65-F71 HydrophobicContact CB-CZ 3.84Å; F65-F71 HydrophobicContact CG-CE1 4.35Å; F71-E73 HydrophobicContact CD2-CB 4.28Å; F71-E73 HydrophobicContact CE2-CB 3.69Å; F71-E73 HydrophobicContact CE2-CG 4.11Å; F71-E73 HydrophobicContact CZ-CB 4.35Å; F71-T85 WeakPolarHBondContact CD1-O 3.45Å; F71-T85 HydrophobicContact CE1-CG2 3.57Å; F71-T85 HydrophobicContact CZ-CG2 3.57Å; F71-T85 PolarHBondContact N-O 2.88Å; F71-T85 PolarHBondContact O-N 3.22Å |
| 72 | E | 98.2 | Very high | 95.9 | Very high | 106 Ų | 106 | 62.9 Ų | 62.9 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 119.5 | 175 | -175.7 | 175.9 | 115.3 | 0 | 0 | 110.6 | K82 | E72-K82 VanDerWaalsContact CG-CE 3.47Å; E72-K82 HydrophobicContact CG-CG 4.21Å; E72-K82 WeakPolarHBondContact OE1-CE 3.09Å; E72-K82 IonicContact OE1-NZ 3.44Å; E72-K82 PolarHBondContact OE1-NZ 2.57Å; E72-K82 WeakPolarHBondContact OE2-CE 3.42Å; E72-K82 IonicContact OE2-NZ 2.88Å; E72-K82 PolarHBondContact OE2-NZ 2.79Å |
| 73 | E | 97.7 | Very high | 96 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134.9 | -179.8 | -173.3 | -177.4 | -172.9 | 0 | 0 | 110.4 | Y61 V63 F71 T75 K82 V83 T85 Q98 | Y61-E73 WeakPolarHBondContact OH-CG 3.38Å; Y61-E73 PolarHBondContact OH-OE1 3.18Å; V63-E73 HydrophobicContact CG2-CG 4.43Å; F71-E73 HydrophobicContact CD2-CB 4.28Å; F71-E73 HydrophobicContact CE2-CB 3.69Å; F71-E73 HydrophobicContact CE2-CG 4.11Å; F71-E73 HydrophobicContact CZ-CB 4.35Å; E73-T75 HydrophobicContact CG-CG2 4.25Å; E73-K82 WeakPolarHBondContact O-CA 3.48Å; E73-V83 HydrophobicContact CB-CG2 3.9Å; E73-V83 HydrophobicContact CG-CG2 4.43Å; E73-V83 PolarHBondContact N-O 2.93Å; E73-V83 PolarHBondContact O-N 2.78Å; E73-T85 WeakPolarHBondContact CB-OG1 3.26Å; E73-T85 WeakPolarHBondContact OE2-CB 3.37Å; E73-T85 WeakPolarHBondContact OE2-CG2 2.8Å; E73-T85 PolarHBondContact OE2-OG1 2.97Å; E73-Q98 VanDerWaalsContact CD-NE2 3.34Å; E73-Q98 PolarHBondContact OE1-NE2 3.12Å; E73-Q98 PolarHBondContact OE2-NE2 2.93Å |
| 74 | V | 96 | Very high | 96 | Very high | 73 Ų | 73 | 62.4 Ų | 62.4 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 108.6 | 173.7 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | K76 R81 | V74-K76 HydrophobicContact CG1-CB 4.22Å; V74-K76 PolarHBondContact O-N 3.18Å; V74-R81 CarbonylContact C-O 3.25Å; V74-R81 WeakPolarHBondContact CA-O 3.35Å |
| 75 | T | 93.8 | Very high | 96 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | trans | -82.6 | 42.4 | -174.8 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | E73 A77 M78 D79 N80 R81 | E73-T75 HydrophobicContact CG-CG2 4.25Å; T75-A77 VanDerWaalsContact C-N 3.29Å; T75-A77 PolarHBondContact O-N 3.43Å; T75-A77 VanDerWaalsContact O-N 3.14Å; T75-M78 CarbonylContact O-C 3.51Å; T75-M78 WeakPolarHBondContact O-CA 3.45Å; T75-M78 PolarHBondContact O-N 3.06Å; T75-D79 VanDerWaalsContact CB-OD1 3.22Å; T75-D79 WeakPolarHBondContact CB-OD1 3.45Å; T75-D79 PolarHBondContact O-N 3.16Å; T75-D79 PolarHBondContact OG1-OD1 2.97Å; T75-N80 WeakPolarHBondContact O-CA 3.24Å; T75-N80 PolarHBondContact O-N 3.36Å; T75-R81 PolarHBondContact N-O 2.85Å; T75-R81 PolarHBondContact OG1-N 3.22Å; T75-R81 PolarHBondContact OG1-O 3.29Å | ||
| 76 | K | 88.3 | Confident | 96 | Very high | 160 Ų | 160 | 59.6 Ų | 59.6 | 70% | 0.696 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -37.3 | -169.3 | -170.7 | 175.2 | -177.9 | 179.1 | 0 | 114.7 | V74 M78 | V74-K76 HydrophobicContact CG1-CB 4.22Å; V74-K76 PolarHBondContact O-N 3.18Å; K76-M78 VanDerWaalsContact C-N 3.28Å |
| 77 | A | 87.4 | Confident | 96.1 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K59 N60 Y61 T75 | K59-A77 HydrophobicContact CB-CB 4.27Å; K59-A77 WeakPolarHBondContact CD-O 3.44Å; N60-A77 WeakPolarHBondContact O-CB 3.4Å; Y61-A77 HydrophobicContact CD2-CB 4.25Å; T75-A77 VanDerWaalsContact C-N 3.29Å; T75-A77 PolarHBondContact O-N 3.43Å; T75-A77 VanDerWaalsContact O-N 3.14Å |
| 78 | M | 90.4 | Very high | 96.1 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 39% | 0.389 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -103.7 | -177.6 | -60.1 | -64.9 | 135.6 | 0 | 0 | 109.1 | Y61 T75 K76 | Y61-M78 VanDerWaalsContact CB-CE 3.48Å; Y61-M78 HydrophobicContact CD2-CG 4.46Å; Y61-M78 HydrophobicContact CG-CE 4.29Å; Y61-M78 HydrophobicContact CG-CG 4.22Å; T75-M78 CarbonylContact O-C 3.51Å; T75-M78 WeakPolarHBondContact O-CA 3.45Å; T75-M78 PolarHBondContact O-N 3.06Å; K76-M78 VanDerWaalsContact C-N 3.28Å |
| 79 | D | 93.5 | Very high | 96 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 5.6 | -177.6 | 69.6 | -49 | 0 | 0 | 0 | 114 | L24 I26 T75 R81 R105 | L24-D79 HydrophobicContact CB-CB 4.41Å; L24-D79 HydrophobicContact CD1-CB 4.44Å; I26-D79 HydrophobicContact CD1-CB 4.34Å; I26-D79 HydrophobicContact CG1-CB 4.25Å; T75-D79 VanDerWaalsContact CB-OD1 3.22Å; T75-D79 WeakPolarHBondContact CB-OD1 3.45Å; T75-D79 PolarHBondContact O-N 3.16Å; T75-D79 PolarHBondContact OG1-OD1 2.97Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 VanDerWaalsContact OD2-CD 3.29Å; D79-R81 WeakPolarHBondContact OD2-CD 3.5Å; D79-R81 WeakPolarHBondContact OD2-CG 3.3Å; D79-R81 IonicContact OD2-CZ 3.29Å; D79-R81 IonicContact OD2-NE 2.73Å; D79-R81 IonicContact OD2-NH1 3.69Å; D79-R81 PolarHBondContact OD2-NH1 2.73Å; D79-R105 IonicContact OD1-CZ 2.67Å; D79-R105 IonicContact OD1-NH1 3.4Å; D79-R105 IonicContact OD1-NH2 2.79Å; D79-R105 PolarHBondContact OD1-NH2 2.73Å; D79-R105 IonicContact OD2-CZ 2.74Å; D79-R105 IonicContact OD2-NH1 2.85Å; D79-R105 PolarHBondContact OD2-NH1 2.92Å; D79-R105 IonicContact OD2-NH2 3.73Å; D79-R105 PolarHBondContact OD2-NH2 3.37Å |
| 80 | N | 94.3 | Very high | 95.9 | Very high | 109 Ų | 109 | 58 Ų | 58 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | trans | 53.5 | 46.9 | 174.8 | -167.3 | 50.8 | 0 | 0 | 0 | 114.2 | T75 | T75-N80 WeakPolarHBondContact O-CA 3.24Å; T75-N80 PolarHBondContact O-N 3.36Å | ||
| 81 | R | 96.1 | Very high | 95.7 | Very high | 43 Ų | 43 | 61.3 Ų | 61.3 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | trans | -110.8 | 153.9 | 176.2 | -70.8 | -167.8 | 175.6 | 78.8 | 1.7 | 111.7 | L24 V74 T75 D79 V83 E101 | L24-R81 VanDerWaalsContact O-CZ 3.27Å; L24-R81 PolarHBondContact O-NH1 2.96Å; L24-R81 PolarHBondContact O-NH2 2.97Å; V74-R81 CarbonylContact C-O 3.25Å; V74-R81 WeakPolarHBondContact CA-O 3.35Å; T75-R81 PolarHBondContact N-O 2.85Å; T75-R81 PolarHBondContact OG1-N 3.22Å; T75-R81 PolarHBondContact OG1-O 3.29Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 VanDerWaalsContact OD2-CD 3.29Å; D79-R81 WeakPolarHBondContact OD2-CD 3.5Å; D79-R81 WeakPolarHBondContact OD2-CG 3.3Å; D79-R81 IonicContact OD2-CZ 3.29Å; D79-R81 IonicContact OD2-NE 2.73Å; D79-R81 IonicContact OD2-NH1 3.69Å; D79-R81 PolarHBondContact OD2-NH1 2.73Å; R81-V83 HydrophobicContact CB-CG1 4.37Å; R81-E101 IonicContact CZ-OE2 2.73Å; R81-E101 IonicContact NE-OE2 3.69Å; R81-E101 PolarHBondContact NE-OE2 3.32Å; R81-E101 IonicContact NH2-OE2 3.91Å | ||
| 82 | K | 97.2 | Very high | 95.5 | Very high | 130 Ų | 130 | 62.6 Ų | 62.6 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.4 | 170.2 | -173.4 | 176.9 | -179.3 | 167.8 | 0 | 108 | E72 E73 | E72-K82 VanDerWaalsContact CG-CE 3.47Å; E72-K82 HydrophobicContact CG-CG 4.21Å; E72-K82 WeakPolarHBondContact OE1-CE 3.09Å; E72-K82 IonicContact OE1-NZ 3.44Å; E72-K82 PolarHBondContact OE1-NZ 2.57Å; E72-K82 WeakPolarHBondContact OE2-CE 3.42Å; E72-K82 IonicContact OE2-NZ 2.88Å; E72-K82 PolarHBondContact OE2-NZ 2.79Å; E73-K82 WeakPolarHBondContact O-CA 3.48Å |
| 83 | V | 97.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 155 | -177.1 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | E73 R81 T85 Q98 K99 | E73-V83 HydrophobicContact CB-CG2 3.9Å; E73-V83 HydrophobicContact CG-CG2 4.43Å; E73-V83 PolarHBondContact N-O 2.93Å; E73-V83 PolarHBondContact O-N 2.78Å; R81-V83 HydrophobicContact CB-CG1 4.37Å; V83-T85 WeakPolarHBondContact CG2-OG1 3.35Å; V83-Q98 HydrophobicContact CB-CB 4.38Å; V83-Q98 HydrophobicContact CG2-CB 4.13Å; V83-Q98 HydrophobicContact CG2-CG 4.42Å; V83-K99 WeakPolarHBondContact CA-O 3.19Å; V83-K99 WeakPolarHBondContact CB-O 3.48Å |
| 84 | Q | 98.5 | Very high | 95.5 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.4 | 168.8 | -69.1 | -62.4 | -44.7 | 0 | 0 | 108.3 | E70 K99 | E70-Q84 HydrophobicContact CG-CB 4.43Å; Q84-K99 HydrophobicContact CB-CB 4.41Å; Q84-K99 PolarHBondContact N-O 2.7Å; Q84-K99 PolarHBondContact O-N 2.79Å |
| 85 | T | 98.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.9 | -168.6 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | E70 F71 E73 V83 C96 V97 Q98 | E70-T85 CarbonylContact C-O 3.57Å; E70-T85 WeakPolarHBondContact CA-O 3.23Å; F71-T85 WeakPolarHBondContact CD1-O 3.45Å; F71-T85 HydrophobicContact CE1-CG2 3.57Å; F71-T85 HydrophobicContact CZ-CG2 3.57Å; F71-T85 PolarHBondContact N-O 2.88Å; F71-T85 PolarHBondContact O-N 3.22Å; E73-T85 WeakPolarHBondContact CB-OG1 3.26Å; E73-T85 WeakPolarHBondContact OE2-CB 3.37Å; E73-T85 WeakPolarHBondContact OE2-CG2 2.8Å; E73-T85 PolarHBondContact OE2-OG1 2.97Å; V83-T85 WeakPolarHBondContact CG2-OG1 3.35Å; T85-C96 WeakPolarHBondContact CG2-SG 2.93Å; T85-V97 WeakPolarHBondContact CA-O 2.98Å; T85-Q98 HydrophobicContact CG2-CG 4.07Å |
| 86 | V | 98.8 | Very high | 95.8 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.7 | 170.5 | 64.5 | 0 | 0 | 0 | 0 | 109.2 | E70 C96 V97 | E70-V86 HydrophobicContact CB-CB 4.27Å; E70-V86 HydrophobicContact CG-CB 4.35Å; V86-C96 WeakPolarHBondContact O-CA 3.36Å; V86-V97 HydrophobicContact CG1-CB 4.35Å; V86-V97 PolarHBondContact N-O 3.17Å; V86-V97 VanDerWaalsContact N-O 3.1Å; V86-V97 PolarHBondContact O-N 2.92Å |
| 87 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129 | 176.3 | -169.9 | 0 | 0 | 0 | 0 | 108.8 | F65 I67 G68 L94 V95 C96 W107 | F65-V87 HydrophobicContact CD1-CG2 4.16Å; F65-V87 HydrophobicContact CD2-CB 3.65Å; F65-V87 HydrophobicContact CD2-CG1 4.23Å; F65-V87 HydrophobicContact CD2-CG2 3.65Å; F65-V87 HydrophobicContact CE1-CG2 4.2Å; F65-V87 HydrophobicContact CE2-CB 3.54Å; F65-V87 HydrophobicContact CE2-CG1 3.58Å; F65-V87 HydrophobicContact CE2-CG2 3.71Å; F65-V87 HydrophobicContact CG-CB 4.38Å; F65-V87 HydrophobicContact CG-CG2 3.89Å; F65-V87 HydrophobicContact CZ-CB 4.2Å; F65-V87 HydrophobicContact CZ-CG1 3.99Å; F65-V87 HydrophobicContact CZ-CG2 3.98Å; I67-V87 WeakPolarHBondContact CA-O 3.1Å; I67-V87 HydrophobicContact CD1-CG1 4.16Å; G68-V87 PolarHBondContact N-O 3.14Å; V87-L94 HydrophobicContact CG1-CB 4.25Å; V87-L94 HydrophobicContact CG1-CD2 4.35Å; V87-V95 CarbonylContact C-O 3.6Å; V87-V95 WeakPolarHBondContact CA-O 3.18Å; V87-C96 HydrophobicContact CG1-CB 4.47Å; V87-C96 HydrophobicContact CG2-CB 3.92Å; V87-W107 HydrophobicContact CG1-CH2 3.86Å; V87-W107 HydrophobicContact CG1-CZ3 4.34Å; V87-W107 HydrophobicContact CG2-CH2 4.03Å; V87-W107 HydrophobicContact CG2-CZ2 3.99Å |
| 88 | N | 98.2 | Very high | 96.8 | Very high | 71 Ų | 71 | 54.1 Ų | 54.1 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 156.8 | 179.2 | -68.2 | -75.3 | 0 | 0 | 0 | 110.7 | G68 V95 | G68-N88 WeakPolarHBondContact CA-OD1 3.45Å; N88-V95 PolarHBondContact N-O 3.29Å; N88-V95 PolarHBondContact O-N 3.31Å |
| 89 | W | 97.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 131.7 | 163.9 | -69.8 | 113.6 | 0 | 0 | 0 | 110.2 | P2 Y5 F50 I67 K93 L94 | P2-W89 HydrophobicContact CB-CH2 4.06Å; P2-W89 HydrophobicContact CB-CZ2 3.54Å; Y5-W89 AromaticContact CD2-CH2 3.94Å; Y5-W89 HydrophobicContact CD2-CH2 3.94Å; Y5-W89 HydrophobicContact CD2-CZ3 4.44Å; Y5-W89 AromaticContact CE2-CH2 3.59Å; Y5-W89 HydrophobicContact CE2-CH2 3.59Å; Y5-W89 AromaticContact CE2-CZ3 3.64Å; Y5-W89 HydrophobicContact CE2-CZ3 3.64Å; F50-W89 HydrophobicContact CE2-CZ2 4.28Å; F50-W89 HydrophobicContact CZ-CH2 4.22Å; F50-W89 AromaticContact CZ-CZ2 3.8Å; F50-W89 HydrophobicContact CZ-CZ2 3.8Å; I67-W89 HydrophobicContact CG2-CG 4.48Å; W89-K93 CarbonylContact C-O 3.44Å; W89-K93 WeakPolarHBondContact CA-O 3.47Å; W89-L94 HydrophobicContact CD2-CD2 3.78Å; W89-L94 HydrophobicContact CE3-CD2 3.65Å; W89-L94 HydrophobicContact CE3-CG 4.23Å; W89-L94 HydrophobicContact CH2-CD2 3.55Å; W89-L94 HydrophobicContact CH2-CG 3.94Å; W89-L94 HydrophobicContact CZ2-CD2 3.68Å; W89-L94 HydrophobicContact CZ3-CD2 3.53Å; W89-L94 HydrophobicContact CZ3-CG 3.77Å |
| 90 | D | 96.6 | Very high | 97.4 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 98.1 | 157 | 178.8 | 12.3 | 0 | 0 | 0 | 107 | D92 K93 V95 | D90-D92 PolarHBondContact O-N 2.89Å; D90-K93 PolarHBondContact N-O 2.91Å; D90-K93 WeakPolarHBondContact O-CB 3.31Å; D90-K93 PolarHBondContact O-N 2.74Å; D90-V95 HydrophobicContact CB-CG2 3.65Å |
| 91 | H | 93.5 | Very high | 97.5 | Very high | 172 Ų | 172 | 59 Ų | 59 | 80% | 0.796 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -107.2 | -168.7 | -58.5 | 77.6 | 0 | 0 | 0 | 111.8 | ||
| 92 | D | 93.9 | Very high | 97.5 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 8.6 | -178.4 | 66.6 | -18.4 | 0 | 0 | 0 | 113.1 | I3 Y5 D90 | I3-D92 HydrophobicContact CD1-CB 3.62Å; I3-D92 HydrophobicContact CG1-CB 4.23Å; Y5-D92 PolarHBondContact OH-O 2.75Å; D90-D92 PolarHBondContact O-N 2.89Å |
| 93 | K | 97.6 | Very high | 97.6 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 34% | 0.335 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.9 | -177.4 | -47.1 | -168.3 | 175.6 | 175.8 | 0 | 111.6 | W89 D90 T108 H109 W110 | W89-K93 CarbonylContact C-O 3.44Å; W89-K93 WeakPolarHBondContact CA-O 3.47Å; D90-K93 PolarHBondContact N-O 2.91Å; D90-K93 WeakPolarHBondContact O-CB 3.31Å; D90-K93 PolarHBondContact O-N 2.74Å; K93-T108 HydrophobicContact CB-CG2 4.04Å; K93-T108 HydrophobicContact CD-CG2 4.17Å; K93-H109 WeakPolarHBondContact CA-O 3.33Å; K93-W110 HydrophobicContact CB-CB 4.23Å; K93-W110 HydrophobicContact CD-CB 4.02Å; K93-W110 HydrophobicContact CD-CG 4.38Å; K93-W110 HydrophobicContact CG-CB 3.72Å |
| 94 | L | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 111.7 | 168 | -67.5 | 176.7 | 0 | 0 | 0 | 109.2 | Y5 F50 I67 V87 W89 W107 T108 H109 | Y5-L94 HydrophobicContact CD1-CD1 4.16Å; Y5-L94 HydrophobicContact CD2-CD1 4.19Å; Y5-L94 HydrophobicContact CE1-CD1 4.13Å; Y5-L94 HydrophobicContact CE1-CG 4.43Å; Y5-L94 HydrophobicContact CE2-CD1 4.18Å; Y5-L94 HydrophobicContact CE2-CG 4.13Å; Y5-L94 HydrophobicContact CG-CD1 4.17Å; Y5-L94 PolarHBondContact OH-N 2.98Å; F50-L94 HydrophobicContact CD1-CD1 4.2Å; F50-L94 HydrophobicContact CE1-CD1 3.72Å; F50-L94 HydrophobicContact CZ-CD1 4.06Å; F50-L94 HydrophobicContact CZ-CD2 4.21Å; I67-L94 HydrophobicContact CD1-CD2 3.56Å; V87-L94 HydrophobicContact CG1-CB 4.25Å; V87-L94 HydrophobicContact CG1-CD2 4.35Å; W89-L94 HydrophobicContact CD2-CD2 3.78Å; W89-L94 HydrophobicContact CE3-CD2 3.65Å; W89-L94 HydrophobicContact CE3-CG 4.23Å; W89-L94 HydrophobicContact CH2-CD2 3.55Å; W89-L94 HydrophobicContact CH2-CG 3.94Å; W89-L94 HydrophobicContact CZ2-CD2 3.68Å; W89-L94 HydrophobicContact CZ3-CD2 3.53Å; W89-L94 HydrophobicContact CZ3-CG 3.77Å; L94-W107 HydrophobicContact CB-CZ3 4.03Å; L94-T108 CarbonylContact O-C 3.6Å; L94-T108 VanDerWaalsContact O-CA 3.27Å; L94-T108 WeakPolarHBondContact O-CA 3.43Å; L94-H109 HydrophobicContact CB-CB 4.33Å; L94-H109 PolarHBondContact N-O 3.22Å; L94-H109 PolarHBondContact O-N 2.86Å |
| 95 | V | 98.6 | Very high | 97.5 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 24% | 0.242 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.1 | 178.9 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | V87 N88 D90 T108 | V87-V95 CarbonylContact C-O 3.6Å; V87-V95 WeakPolarHBondContact CA-O 3.18Å; N88-V95 PolarHBondContact N-O 3.29Å; N88-V95 PolarHBondContact O-N 3.31Å; D90-V95 HydrophobicContact CB-CG2 3.65Å; V95-T108 HydrophobicContact CG2-CG2 3.94Å |
| 96 | C | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.02 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.5 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 111 | T85 V86 V87 G106 W107 | T85-C96 WeakPolarHBondContact CG2-SG 2.93Å; V86-C96 WeakPolarHBondContact O-CA 3.36Å; V87-C96 HydrophobicContact CG1-CB 4.47Å; V87-C96 HydrophobicContact CG2-CB 3.92Å; C96-G106 CarbonylContact O-C 3.56Å; C96-G106 WeakPolarHBondContact O-CA 3.47Å; C96-W107 HydrophobicContact CB-CD2 3.25Å; C96-W107 HydrophobicContact CB-CE3 3.62Å; C96-W107 HydrophobicContact CB-CG 3.74Å; C96-W107 HydrophobicContact CB-CH2 3.76Å; C96-W107 HydrophobicContact CB-CZ2 3.42Å; C96-W107 VanDerWaalsContact CB-CZ2 3.42Å; C96-W107 HydrophobicContact CB-CZ3 3.84Å; C96-W107 WeakPolarHBondContact CB-O 3.44Å; C96-W107 PolarHBondContact N-O 3.29Å; C96-W107 PolarHBondContact O-N 3.24Å; C96-W107 PolarHBondContact SG-NE1 3.4Å |
| 97 | V | 98.7 | Very high | 97.5 | Very high | 64 Ų | 64 | 63 Ų | 63 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.5 | 171.7 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | T85 V86 K99 | T85-V97 WeakPolarHBondContact CA-O 2.98Å; V86-V97 HydrophobicContact CG1-CB 4.35Å; V86-V97 PolarHBondContact N-O 3.17Å; V86-V97 VanDerWaalsContact N-O 3.1Å; V86-V97 PolarHBondContact O-N 2.92Å; V97-K99 HydrophobicContact CG1-CG 4.07Å |
| 98 | Q | 98.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 96.7 | 178.4 | -63.5 | -177.5 | -49.8 | 0 | 0 | 109.4 | E73 V83 T85 R105 | E73-Q98 VanDerWaalsContact CD-NE2 3.34Å; E73-Q98 PolarHBondContact OE1-NE2 3.12Å; E73-Q98 PolarHBondContact OE2-NE2 2.93Å; V83-Q98 HydrophobicContact CB-CB 4.38Å; V83-Q98 HydrophobicContact CG2-CB 4.13Å; V83-Q98 HydrophobicContact CG2-CG 4.42Å; T85-Q98 HydrophobicContact CG2-CG 4.07Å; Q98-R105 HydrophobicContact CB-CB 4.38Å; Q98-R105 HydrophobicContact CB-CG 3.95Å; Q98-R105 PolarHBondContact N-O 3.32Å |
| 99 | K | 98.4 | Very high | 97.5 | Very high | 115 Ų | 115 | 61.6 Ų | 61.6 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.1 | 179.8 | -60.8 | 174.1 | -165 | 147.9 | 0 | 110.5 | E70 V83 Q84 V97 | E70-K99 IonicContact OE1-NZ 2.71Å; E70-K99 PolarHBondContact OE1-NZ 2.96Å; V83-K99 WeakPolarHBondContact CA-O 3.19Å; V83-K99 WeakPolarHBondContact CB-O 3.48Å; Q84-K99 HydrophobicContact CB-CB 4.41Å; Q84-K99 PolarHBondContact N-O 2.7Å; Q84-K99 PolarHBondContact O-N 2.79Å; V97-K99 HydrophobicContact CG1-CG 4.07Å |
| 100 | G | 96.9 | Very high | 97.6 | Very high | 49 Ų | 49 | 60.4 Ų | 60.4 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -178.1 | -146.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K102 | G100-K102 VanDerWaalsContact C-N 3.3Å; G100-K102 PolarHBondContact O-N 2.74Å |
| 101 | E | 96.1 | Very high | 97.7 | Very high | 147 Ų | 147 | 57.7 Ų | 57.7 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -59.9 | -38 | -179.9 | -170.9 | -162.4 | 164.7 | 0 | 0 | 112.9 | R81 | R81-E101 IonicContact CZ-OE2 2.73Å; R81-E101 IonicContact NE-OE2 3.69Å; R81-E101 PolarHBondContact NE-OE2 3.32Å; R81-E101 IonicContact NH2-OE2 3.91Å |
| 102 | K | 97.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -89.2 | 127.8 | -177 | -68 | -70.4 | 172.4 | 175.2 | 0 | 111 | A23 G100 R105 E123 | A23-K102 WeakPolarHBondContact O-CD 3.29Å; A23-K102 WeakPolarHBondContact O-CE 3.29Å; A23-K102 PolarHBondContact O-NZ 3Å; G100-K102 VanDerWaalsContact C-N 3.3Å; G100-K102 PolarHBondContact O-N 2.74Å; K102-R105 HydrophobicContact CB-CB 4.29Å; K102-E123 HydrophobicContact CD-CG 4.43Å; K102-E123 WeakPolarHBondContact CD-OE1 3.42Å; K102-E123 IonicContact NZ-OE1 3.7Å; K102-E123 PolarHBondContact NZ-OE1 3.29Å |
| 103 | K | 97.6 | Very high | 97.8 | Very high | 174 Ų | 174 | 55.1 Ų | 55.1 | 76% | 0.757 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 152.5 | 176.1 | -64.3 | -178.5 | -178.8 | 178.4 | 0 | 110.3 | R105 E123 | K103-R105 PolarHBondContact O-N 3.33Å; K103-R105 VanDerWaalsContact O-N 3.16Å; K103-E123 WeakPolarHBondContact O-CA 3.46Å; K103-E123 PolarHBondContact O-N 3.3Å |
| 104 | N | 97.8 | Very high | 97.7 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 58% | 0.583 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 43.9 | 175.2 | -169.2 | 41.2 | 0 | 0 | 0 | 112.7 | T121 C122 E123 | N104-T121 CarbonylContact O-C 3.58Å; N104-T121 VanDerWaalsContact O-C 3.25Å; N104-T121 PolarHBondContact O-OG1 3Å; N104-C122 VanDerWaalsContact O-CA 3.3Å; N104-C122 WeakPolarHBondContact O-CA 3.22Å; N104-C122 PolarHBondContact O-N 3.32Å; N104-E123 PolarHBondContact ND2-O 3.43Å |
| 105 | R | 98.5 | Very high | 97.7 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | trans | -98.1 | 128.6 | 180 | -175 | -168.4 | 172.3 | 148.1 | 9.5 | 109.5 | D79 Q98 K102 K103 T121 | D79-R105 IonicContact OD1-CZ 2.67Å; D79-R105 IonicContact OD1-NH1 3.4Å; D79-R105 IonicContact OD1-NH2 2.79Å; D79-R105 PolarHBondContact OD1-NH2 2.73Å; D79-R105 IonicContact OD2-CZ 2.74Å; D79-R105 IonicContact OD2-NH1 2.85Å; D79-R105 PolarHBondContact OD2-NH1 2.92Å; D79-R105 IonicContact OD2-NH2 3.73Å; D79-R105 PolarHBondContact OD2-NH2 3.37Å; Q98-R105 HydrophobicContact CB-CB 4.38Å; Q98-R105 HydrophobicContact CB-CG 3.95Å; Q98-R105 PolarHBondContact N-O 3.32Å; K102-R105 HydrophobicContact CB-CB 4.29Å; K103-R105 PolarHBondContact O-N 3.33Å; K103-R105 VanDerWaalsContact O-N 3.16Å; R105-T121 VanDerWaalsContact CA-O 3.31Å; R105-T121 WeakPolarHBondContact CA-O 3.36Å | ||
| 106 | G | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | -172.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | C96 T121 | C96-G106 CarbonylContact O-C 3.56Å; C96-G106 WeakPolarHBondContact O-CA 3.47Å; G106-T121 PolarHBondContact N-O 2.81Å; G106-T121 VanDerWaalsContact N-O 3.14Å; G106-T121 PolarHBondContact N-OG1 3.3Å; G106-T121 PolarHBondContact O-N 3.02Å; G106-T121 PolarHBondContact O-OG1 3.2Å |
| 107 | W | 98.7 | Very high | 97.7 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 155.3 | 176.2 | 55.1 | -103.1 | 0 | 0 | 0 | 112.4 | I52 F65 V87 L94 C96 H109 L118 E119 L120 | I52-W107 HydrophobicContact CD1-CH2 4.25Å; F65-W107 HydrophobicContact CE1-CH2 4.31Å; F65-W107 HydrophobicContact CE1-CZ2 4.4Å; F65-W107 HydrophobicContact CZ-CH2 4.1Å; V87-W107 HydrophobicContact CG1-CH2 3.86Å; V87-W107 HydrophobicContact CG1-CZ3 4.34Å; V87-W107 HydrophobicContact CG2-CH2 4.03Å; V87-W107 HydrophobicContact CG2-CZ2 3.99Å; L94-W107 HydrophobicContact CB-CZ3 4.03Å; C96-W107 HydrophobicContact CB-CD2 3.25Å; C96-W107 HydrophobicContact CB-CE3 3.62Å; C96-W107 HydrophobicContact CB-CG 3.74Å; C96-W107 HydrophobicContact CB-CH2 3.76Å; C96-W107 HydrophobicContact CB-CZ2 3.42Å; C96-W107 VanDerWaalsContact CB-CZ2 3.42Å; C96-W107 HydrophobicContact CB-CZ3 3.84Å; C96-W107 WeakPolarHBondContact CB-O 3.44Å; C96-W107 PolarHBondContact N-O 3.29Å; C96-W107 PolarHBondContact O-N 3.24Å; C96-W107 PolarHBondContact SG-NE1 3.4Å; W107-H109 AromaticContact CD2-ND1 3.96Å; W107-H109 AromaticContact CE3-CE1 3.84Å; W107-H109 AromaticContact CE3-ND1 3.11Å; W107-H109 AromaticContact CH2-ND1 3.94Å; W107-H109 HydrophobicContact CZ3-CB 4.37Å; W107-H109 AromaticContact CZ3-ND1 3.12Å; W107-H109 WeakPolarHBondContact CZ3-ND1 3.37Å; W107-L118 HydrophobicContact CB-CD1 3.78Å; W107-L118 HydrophobicContact CG-CD1 4.41Å; W107-E119 CarbonylContact C-O 3.53Å; W107-E119 WeakPolarHBondContact CA-O 3.49Å; W107-E119 WeakPolarHBondContact CB-O 3.37Å; W107-L120 HydrophobicContact CB-CD2 3.82Å |
| 108 | T | 98.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127 | 174.2 | -57.6 | 0 | 0 | 0 | 0 | 110 | K93 L94 V95 W110 L118 E119 | K93-T108 HydrophobicContact CB-CG2 4.04Å; K93-T108 HydrophobicContact CD-CG2 4.17Å; L94-T108 CarbonylContact O-C 3.6Å; L94-T108 VanDerWaalsContact O-CA 3.27Å; L94-T108 WeakPolarHBondContact O-CA 3.43Å; V95-T108 HydrophobicContact CG2-CG2 3.94Å; T108-W110 HydrophobicContact CG2-CE3 4.17Å; T108-L118 WeakPolarHBondContact O-CA 3.37Å; T108-E119 PolarHBondContact N-O 3.23Å; T108-E119 PolarHBondContact O-N 2.92Å |
| 109 | H | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.019 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.7 | 171.4 | -76.8 | 103.8 | 0 | 0 | 0 | 111.3 | Y5 K93 L94 W107 L116 Y117 | Y5-H109 HydrophobicContact CE1-CB 3.89Å; Y5-H109 PolarHBondContact OH-O 2.91Å; K93-H109 WeakPolarHBondContact CA-O 3.33Å; L94-H109 HydrophobicContact CB-CB 4.33Å; L94-H109 PolarHBondContact N-O 3.22Å; L94-H109 PolarHBondContact O-N 2.86Å; W107-H109 AromaticContact CD2-ND1 3.96Å; W107-H109 AromaticContact CE3-CE1 3.84Å; W107-H109 AromaticContact CE3-ND1 3.11Å; W107-H109 AromaticContact CH2-ND1 3.94Å; W107-H109 HydrophobicContact CZ3-CB 4.37Å; W107-H109 AromaticContact CZ3-ND1 3.12Å; W107-H109 WeakPolarHBondContact CZ3-ND1 3.37Å; H109-L116 HydrophobicContact CB-CD1 4.16Å; H109-Y117 VanDerWaalsContact CA-O 3.26Å; H109-Y117 WeakPolarHBondContact CA-O 3.39Å; H109-Y117 PolarHBondContact CD2-O 2.77Å |
| 110 | W | 98.4 | Very high | 97.7 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 158.5 | 171.5 | 72.1 | 102.1 | 0 | 0 | 0 | 110.9 | Y5 K93 T108 E112 Y117 E119 | Y5-W110 WeakPolarHBondContact OH-CA 3.31Å; K93-W110 HydrophobicContact CB-CB 4.23Å; K93-W110 HydrophobicContact CD-CB 4.02Å; K93-W110 HydrophobicContact CD-CG 4.38Å; K93-W110 HydrophobicContact CG-CB 3.72Å; T108-W110 HydrophobicContact CG2-CE3 4.17Å; W110-E112 PolarHBondContact NE1-OE1 2.85Å; W110-Y117 VanDerWaalsContact CD2-CB 3.43Å; W110-Y117 HydrophobicContact CD2-CG 4.25Å; W110-Y117 AromaticContact CE2-CG 3.58Å; W110-Y117 HydrophobicContact CH2-CD1 4.37Å; W110-Y117 HydrophobicContact CH2-CG 4.38Å; W110-Y117 AromaticContact CZ2-CD1 3.66Å; W110-Y117 HydrophobicContact CZ2-CD1 3.66Å; W110-Y117 AromaticContact CZ2-CG 3.67Å; W110-Y117 HydrophobicContact CZ2-CG 3.67Å; W110-Y117 PolarHBondContact N-O 3.14Å; W110-Y117 VanDerWaalsContact N-O 3.16Å; W110-Y117 AromaticContact NE1-CD2 3.91Å; W110-Y117 AromaticContact NE1-CG 3.68Å; W110-Y117 PolarHBondContact O-N 2.68Å; W110-E119 HydrophobicContact CH2-CB 4.35Å; W110-E119 HydrophobicContact CZ3-CB 3.98Å |
| 111 | I | 97.9 | Very high | 97.8 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.9 | -178.5 | -68.7 | 171.9 | 0 | 0 | 0 | 109 | I3 Y5 W9 E115 L116 | I3-I111 HydrophobicContact CG2-CD1 3.98Å; Y5-I111 HydrophobicContact CD1-CD1 3.65Å; Y5-I111 HydrophobicContact CD1-CG1 4.01Å; Y5-I111 HydrophobicContact CD2-CD1 4.13Å; Y5-I111 HydrophobicContact CE1-CD1 3.96Å; Y5-I111 HydrophobicContact CE1-CG1 3.88Å; Y5-I111 HydrophobicContact CE2-CD1 4.39Å; Y5-I111 HydrophobicContact CG-CD1 3.77Å; W9-I111 HydrophobicContact CH2-CD1 3.89Å; W9-I111 HydrophobicContact CH2-CG1 4.22Å; W9-I111 HydrophobicContact CZ2-CD1 3.89Å; I111-E115 WeakPolarHBondContact CA-O 3.17Å; I111-L116 HydrophobicContact CG1-CD1 3.92Å |
| 112 | E | 96.7 | Very high | 97.9 | Very high | 109 Ų | 109 | 45.3 Ų | 45.3 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 113 | 168.5 | -57.4 | -177.9 | -168.6 | 0 | 0 | 108.5 | W110 N114 E115 Y117 | W110-E112 PolarHBondContact NE1-OE1 2.85Å; E112-N114 PolarHBondContact O-N 3.05Å; E112-N114 VanDerWaalsContact O-N 3.13Å; E112-E115 PolarHBondContact N-O 3.35Å; E112-E115 PolarHBondContact O-N 2.97Å; E112-E115 VanDerWaalsContact O-N 3.1Å; E112-Y117 HydrophobicContact CB-CD2 4.31Å; E112-Y117 HydrophobicContact CB-CE2 3.79Å; E112-Y117 HydrophobicContact CG-CD2 4.28Å; E112-Y117 HydrophobicContact CG-CE2 4.11Å |
| 113 | G | 94.6 | Very high | 98 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 83% | 0.825 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | -114.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 114 | N | 94.8 | Very high | 98 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 18.9 | -179.7 | -161.2 | 47.7 | 0 | 0 | 0 | 113.2 | E112 K133 | E112-N114 PolarHBondContact O-N 3.05Å; E112-N114 VanDerWaalsContact O-N 3.13Å; N114-K133 PolarHBondContact O-N 3.15Å; N114-K133 WeakPolarHBondContact OD1-CB 3.44Å |
| 115 | E | 97.9 | Very high | 98 | Very high | 68 Ų | 68 | 43.2 Ų | 43.2 | 32% | 0.318 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.1 | -177.8 | -64.4 | -176.3 | 146.3 | 0 | 0 | 110.9 | I111 E112 Y117 I130 Y131 | I111-E115 WeakPolarHBondContact CA-O 3.17Å; E112-E115 PolarHBondContact N-O 3.35Å; E112-E115 PolarHBondContact O-N 2.97Å; E112-E115 VanDerWaalsContact O-N 3.1Å; E115-Y117 HydrophobicContact CB-CD2 4.25Å; E115-Y117 HydrophobicContact CB-CE2 3.61Å; E115-Y117 PolarHBondContact OE2-OH 3.33Å; E115-I130 HydrophobicContact CB-CG2 4.19Å; E115-I130 HydrophobicContact CG-CG2 4.35Å; E115-Y131 CarbonylContact C-O 3.51Å; E115-Y131 WeakPolarHBondContact CA-O 3.5Å |
| 116 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.9 | 170.3 | 170.7 | 72 | 0 | 0 | 0 | 107.8 | Y5 W9 K41 I43 H109 I111 Y131 | Y5-L116 HydrophobicContact CD1-CD1 3.73Å; Y5-L116 HydrophobicContact CE1-CD1 3.74Å; W9-L116 HydrophobicContact CB-CD2 4.11Å; W9-L116 HydrophobicContact CD2-CB 3.68Å; W9-L116 HydrophobicContact CD2-CD2 3.97Å; W9-L116 HydrophobicContact CD2-CG 4.44Å; W9-L116 HydrophobicContact CE3-CB 3.4Å; W9-L116 VanDerWaalsContact CE3-CB 3.4Å; W9-L116 HydrophobicContact CG-CB 4.25Å; W9-L116 HydrophobicContact CG-CD2 3.75Å; W9-L116 HydrophobicContact CH2-CB 4.27Å; W9-L116 HydrophobicContact CZ3-CB 3.72Å; K41-L116 HydrophobicContact CD-CD2 4.15Å; I43-L116 HydrophobicContact CD1-CD2 3.73Å; H109-L116 HydrophobicContact CB-CD1 4.16Å; I111-L116 HydrophobicContact CG1-CD1 3.92Å; L116-Y131 PolarHBondContact N-O 3.45Å; L116-Y131 PolarHBondContact O-N 2.96Å |
| 117 | Y | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 45.2 Ų | 45.2 | 18% | 0.18 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 144.1 | 176.3 | -69.4 | -103.3 | 0 | 0 | 0 | 109.7 | H109 W110 E112 E115 I130 | H109-Y117 VanDerWaalsContact CA-O 3.26Å; H109-Y117 WeakPolarHBondContact CA-O 3.39Å; H109-Y117 PolarHBondContact CD2-O 2.77Å; W110-Y117 VanDerWaalsContact CD2-CB 3.43Å; W110-Y117 HydrophobicContact CD2-CG 4.25Å; W110-Y117 AromaticContact CE2-CG 3.58Å; W110-Y117 HydrophobicContact CH2-CD1 4.37Å; W110-Y117 HydrophobicContact CH2-CG 4.38Å; W110-Y117 AromaticContact CZ2-CD1 3.66Å; W110-Y117 HydrophobicContact CZ2-CD1 3.66Å; W110-Y117 AromaticContact CZ2-CG 3.67Å; W110-Y117 HydrophobicContact CZ2-CG 3.67Å; W110-Y117 PolarHBondContact N-O 3.14Å; W110-Y117 VanDerWaalsContact N-O 3.16Å; W110-Y117 AromaticContact NE1-CD2 3.91Å; W110-Y117 AromaticContact NE1-CG 3.68Å; W110-Y117 PolarHBondContact O-N 2.68Å; E112-Y117 HydrophobicContact CB-CD2 4.31Å; E112-Y117 HydrophobicContact CB-CE2 3.79Å; E112-Y117 HydrophobicContact CG-CD2 4.28Å; E112-Y117 HydrophobicContact CG-CE2 4.11Å; E115-Y117 HydrophobicContact CB-CD2 4.25Å; E115-Y117 HydrophobicContact CB-CE2 3.61Å; E115-Y117 PolarHBondContact OE2-OH 3.33Å; Y117-I130 HydrophobicContact CD1-CD1 4.41Å; Y117-I130 HydrophobicContact CD1-CG1 4.02Å; Y117-I130 HydrophobicContact CE1-CD1 3.88Å; Y117-I130 HydrophobicContact CE1-CG1 3.97Å; Y117-I130 HydrophobicContact CE1-CG2 4.49Å |
| 118 | L | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 121.2 | 176 | 167.1 | 57.5 | 0 | 0 | 0 | 109.5 | W107 T108 L120 K128 Q129 Y131 | W107-L118 HydrophobicContact CB-CD1 3.78Å; W107-L118 HydrophobicContact CG-CD1 4.41Å; T108-L118 WeakPolarHBondContact O-CA 3.37Å; L118-L120 HydrophobicContact CD1-CD2 3.92Å; L118-L120 HydrophobicContact CD1-CG 4.16Å; L118-L120 HydrophobicContact CD2-CD1 4.47Å; L118-L120 HydrophobicContact CD2-CD2 4.12Å; L118-L120 HydrophobicContact CD2-CG 4.22Å; L118-L120 HydrophobicContact CG-CD2 4.2Å; L118-L120 HydrophobicContact CG-CG 4.04Å; L118-K128 CarbonylContact O-C 3.49Å; L118-K128 WeakPolarHBondContact O-CA 3.36Å; L118-Q129 HydrophobicContact CB-CB 4.09Å; L118-Q129 VanDerWaalsContact CD2-OE1 3.27Å; L118-Q129 HydrophobicContact CG-CB 4.42Å; L118-Q129 PolarHBondContact N-O 3.43Å; L118-Q129 PolarHBondContact O-N 2.86Å; L118-Y131 HydrophobicContact CB-CE2 4.28Å; L118-Y131 HydrophobicContact CD2-CE2 4.27Å |
| 119 | E | 98.8 | Very high | 98 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.8 | 166.9 | -170.6 | 169.9 | 118.4 | 0 | 0 | 109.8 | W107 T108 W110 T121 V126 C127 | W107-E119 CarbonylContact C-O 3.53Å; W107-E119 WeakPolarHBondContact CA-O 3.49Å; W107-E119 WeakPolarHBondContact CB-O 3.37Å; T108-E119 PolarHBondContact N-O 3.23Å; T108-E119 PolarHBondContact O-N 2.92Å; W110-E119 HydrophobicContact CH2-CB 4.35Å; W110-E119 HydrophobicContact CZ3-CB 3.98Å; E119-T121 HydrophobicContact CG-CG2 4.49Å; E119-V126 VanDerWaalsContact CD-CG1 3.4Å; E119-V126 HydrophobicContact CG-CG1 3.38Å; E119-C127 CarbonylContact C-O 3.51Å; E119-C127 WeakPolarHBondContact CA-O 3.09Å |
| 120 | L | 98.7 | Very high | 98 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.5 | 176.2 | -63.4 | 165 | 0 | 0 | 0 | 108.8 | Y20 W107 L118 V126 C127 | Y20-L120 HydrophobicContact CD1-CD1 4.37Å; Y20-L120 HydrophobicContact CD2-CB 4.11Å; Y20-L120 HydrophobicContact CE1-CB 4.29Å; Y20-L120 HydrophobicContact CE1-CD1 4.1Å; Y20-L120 HydrophobicContact CE2-CB 3.83Å; Y20-L120 HydrophobicContact CG-CB 4.46Å; W107-L120 HydrophobicContact CB-CD2 3.82Å; L118-L120 HydrophobicContact CD1-CD2 3.92Å; L118-L120 HydrophobicContact CD1-CG 4.16Å; L118-L120 HydrophobicContact CD2-CD1 4.47Å; L118-L120 HydrophobicContact CD2-CD2 4.12Å; L118-L120 HydrophobicContact CD2-CG 4.22Å; L118-L120 HydrophobicContact CG-CD2 4.2Å; L118-L120 HydrophobicContact CG-CG 4.04Å; L120-V126 CarbonylContact O-C 3.56Å; L120-V126 WeakPolarHBondContact O-CA 3.15Å; L120-C127 HydrophobicContact CB-CB 4.14Å; L120-C127 HydrophobicContact CD1-CB 4.42Å; L120-C127 PolarHBondContact N-O 2.69Å; L120-C127 PolarHBondContact O-N 3.01Å |
| 121 | T | 98.7 | Very high | 98 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.3 | 179.2 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | N104 R105 G106 E119 K125 V126 | N104-T121 CarbonylContact O-C 3.58Å; N104-T121 VanDerWaalsContact O-C 3.25Å; N104-T121 PolarHBondContact O-OG1 3Å; R105-T121 VanDerWaalsContact CA-O 3.31Å; R105-T121 WeakPolarHBondContact CA-O 3.36Å; G106-T121 PolarHBondContact N-O 2.81Å; G106-T121 VanDerWaalsContact N-O 3.14Å; G106-T121 PolarHBondContact N-OG1 3.3Å; G106-T121 PolarHBondContact O-N 3.02Å; G106-T121 PolarHBondContact O-OG1 3.2Å; E119-T121 HydrophobicContact CG-CG2 4.49Å; T121-K125 WeakPolarHBondContact CA-O 3.43Å; T121-V126 HydrophobicContact CG2-CG2 4.33Å |
| 122 | C | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 124.4 | 169.2 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | Y20 A23 L24 N104 D124 K125 | Y20-C122 HydrophobicContact CD2-CB 3.74Å; Y20-C122 HydrophobicContact CE2-CB 3.52Å; A23-C122 HydrophobicContact CB-CB 4.31Å; L24-C122 HydrophobicContact CD2-CB 4.27Å; N104-C122 VanDerWaalsContact O-CA 3.3Å; N104-C122 WeakPolarHBondContact O-CA 3.22Å; N104-C122 PolarHBondContact O-N 3.32Å; C122-D124 PolarHBondContact O-N 3.04Å; C122-K125 PolarHBondContact N-O 2.92Å; C122-K125 WeakPolarHBondContact O-CB 3.21Å; C122-K125 PolarHBondContact O-N 3.33Å |
| 123 | E | 97.9 | Very high | 98 | Very high | 78 Ų | 78 | 50 Ų | 50 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -121.8 | -174.6 | -59.2 | 175.3 | -178.9 | 0 | 0 | 111 | K102 K103 N104 | K102-E123 HydrophobicContact CD-CG 4.43Å; K102-E123 WeakPolarHBondContact CD-OE1 3.42Å; K102-E123 IonicContact NZ-OE1 3.7Å; K102-E123 PolarHBondContact NZ-OE1 3.29Å; K103-E123 WeakPolarHBondContact O-CA 3.46Å; K103-E123 PolarHBondContact O-N 3.3Å; N104-E123 PolarHBondContact ND2-O 3.43Å |
| 124 | D | 97.8 | Very high | 97.9 | Very high | 117 Ų | 117 | 47.9 Ų | 47.9 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4.3 | 176.8 | 73 | -39.5 | 0 | 0 | 0 | 113.1 | C122 | C122-D124 PolarHBondContact O-N 3.04Š|
| 125 | K | 98.6 | Very high | 96.9 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.6 | -175 | -55.2 | -52 | 178.9 | -149.9 | 0 | 111.9 | A23 T121 C122 | A23-K125 HydrophobicContact CB-CB 4.24Å; A23-K125 HydrophobicContact CB-CG 3.78Å; T121-K125 WeakPolarHBondContact CA-O 3.43Å; C122-K125 PolarHBondContact N-O 2.92Å; C122-K125 WeakPolarHBondContact O-CB 3.21Å; C122-K125 PolarHBondContact O-N 3.33Å |
| 126 | V | 98.6 | Very high | 96.8 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 35% | 0.345 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.3 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 108 | H16 E119 L120 T121 K128 | H16-V126 VanDerWaalsContact CB-O 3.26Å; H16-V126 WeakPolarHBondContact CB-O 3.03Å; E119-V126 VanDerWaalsContact CD-CG1 3.4Å; E119-V126 HydrophobicContact CG-CG1 3.38Å; L120-V126 CarbonylContact O-C 3.56Å; L120-V126 WeakPolarHBondContact O-CA 3.15Å; T121-V126 HydrophobicContact CG2-CG2 4.33Å; V126-K128 HydrophobicContact CG1-CG 4.39Å |
| 127 | C | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.8 | 171.3 | 164.6 | 0 | 0 | 0 | 0 | 109 | N14 E15 Y20 E119 L120 | N14-C127 PolarHBondContact OD1-SG 2.78Å; E15-C127 WeakPolarHBondContact O-CA 3.33Å; E15-C127 PolarHBondContact O-SG 3.02Å; Y20-C127 HydrophobicContact CG-CB 4.11Å; E119-C127 CarbonylContact C-O 3.51Å; E119-C127 WeakPolarHBondContact CA-O 3.09Å; L120-C127 HydrophobicContact CB-CB 4.14Å; L120-C127 HydrophobicContact CD1-CB 4.42Å; L120-C127 PolarHBondContact N-O 2.69Å; L120-C127 PolarHBondContact O-N 3.01Å |
| 128 | K | 98.6 | Very high | 96.6 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.5 | -177.1 | -64.2 | -177.1 | 178.1 | -177.1 | 0 | 109.9 | E15 L118 V126 | E15-K128 HydrophobicContact CB-CB 4.46Å; E15-K128 PolarHBondContact N-O 3.48Å; E15-K128 PolarHBondContact O-N 3.27Å; L118-K128 CarbonylContact O-C 3.49Å; L118-K128 WeakPolarHBondContact O-CA 3.36Å; V126-K128 HydrophobicContact CG1-CG 4.39Å |
| 129 | Q | 98.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142.2 | -179.7 | -68.3 | 177.7 | -8.7 | 0 | 0 | 109.5 | M11 S13 N14 L118 Y131 | M11-Q129 HydrophobicContact CE-CB 4.28Å; M11-Q129 VanDerWaalsContact CE-CD 3.45Å; M11-Q129 HydrophobicContact CE-CG 3.92Å; S13-Q129 WeakPolarHBondContact O-CA 3.44Å; N14-Q129 HydrophobicContact CB-CG 4.35Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.47Å; N14-Q129 PolarHBondContact OD1-NE2 2.88Å; L118-Q129 HydrophobicContact CB-CB 4.09Å; L118-Q129 VanDerWaalsContact CD2-OE1 3.27Å; L118-Q129 HydrophobicContact CG-CB 4.42Å; L118-Q129 PolarHBondContact N-O 3.43Å; L118-Q129 PolarHBondContact O-N 2.86Å; Q129-Y131 HydrophobicContact CB-CD2 4.42Å; Q129-Y131 HydrophobicContact CB-CE2 3.69Å; Q129-Y131 PolarHBondContact OE1-OH 3.03Å |
| 130 | I | 98.6 | Very high | 96.4 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 21% | 0.205 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.3 | 174 | -52.4 | 176.4 | 0 | 0 | 0 | 107.2 | T12 S13 E115 Y117 | T12-I130 PolarHBondContact N-O 3.26Å; T12-I130 PolarHBondContact OG1-O 3.07Å; S13-I130 PolarHBondContact N-O 3.29Å; S13-I130 PolarHBondContact O-N 3.42Å; E115-I130 HydrophobicContact CB-CG2 4.19Å; E115-I130 HydrophobicContact CG-CG2 4.35Å; Y117-I130 HydrophobicContact CD1-CD1 4.41Å; Y117-I130 HydrophobicContact CD1-CG1 4.02Å; Y117-I130 HydrophobicContact CE1-CD1 3.88Å; Y117-I130 HydrophobicContact CE1-CG1 3.97Å; Y117-I130 HydrophobicContact CE1-CG2 4.49Å |
| 131 | Y | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.5 | 174.8 | -60 | -106.1 | 0 | 0 | 0 | 109.2 | W9 D10 M11 P39 K41 E115 L116 L118 Q129 | W9-Y131 HydrophobicContact CB-CD1 4.36Å; W9-Y131 HydrophobicContact CB-CG 4.36Å; D10-Y131 CarbonylContact O-C 3.52Å; D10-Y131 VanDerWaalsContact O-CA 3.23Å; D10-Y131 WeakPolarHBondContact O-CA 3.31Å; M11-Y131 VanDerWaalsContact CA-CD1 3.46Å; M11-Y131 HydrophobicContact CB-CD1 3.77Å; M11-Y131 HydrophobicContact CB-CE1 3.59Å; M11-Y131 HydrophobicContact CE-CE1 3.93Å; M11-Y131 HydrophobicContact CE-CE2 4.18Å; M11-Y131 VanDerWaalsContact CE-CZ 3.44Å; M11-Y131 WeakPolarHBondContact CE-OH 3.34Å; M11-Y131 HydrophobicContact CG-CE1 4.24Å; M11-Y131 VanDerWaalsContact N-CD1 3.33Å; P39-Y131 WeakPolarHBondContact O-CE1 3.28Å; K41-Y131 HydrophobicContact CB-CE1 4.49Å; K41-Y131 HydrophobicContact CD-CD1 4.33Å; K41-Y131 HydrophobicContact CD-CD2 4.4Å; K41-Y131 HydrophobicContact CD-CE1 3.92Å; K41-Y131 HydrophobicContact CD-CE2 3.99Å; K41-Y131 WeakPolarHBondContact CE-OH 3.23Å; K41-Y131 HydrophobicContact CG-CD1 4.34Å; K41-Y131 HydrophobicContact CG-CE1 3.83Å; E115-Y131 CarbonylContact C-O 3.51Å; E115-Y131 WeakPolarHBondContact CA-O 3.5Å; L116-Y131 PolarHBondContact N-O 3.45Å; L116-Y131 PolarHBondContact O-N 2.96Å; L118-Y131 HydrophobicContact CB-CE2 4.28Å; L118-Y131 HydrophobicContact CD2-CE2 4.27Å; Q129-Y131 HydrophobicContact CB-CD2 4.42Å; Q129-Y131 HydrophobicContact CB-CE2 3.69Å; Q129-Y131 PolarHBondContact OE1-OH 3.03Å |
| 132 | K | 98.1 | Very high | 96 | Very high | 114 Ų | 114 | 62.9 Ų | 62.9 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 138.7 | 173 | -172.2 | 174.3 | -178.9 | 177.2 | 0 | 109.4 | W9 D10 T12 S134 | W9-K132 CarbonylContact C-O 3.54Å; W9-K132 WeakPolarHBondContact CA-O 3.47Å; D10-K132 PolarHBondContact N-O 3.34Å; D10-K132 PolarHBondContact O-N 2.65Å; T12-K132 HydrophobicContact CG2-CB 3.8Å; K132-S134 PolarHBondContact O-N 2.94Å |
| 133 | K | 97.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 67.7 Ų | 67.7 | 30% | 0.3 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 128.8 | 175.3 | -152.5 | 167.6 | -172.7 | 159.2 | 0 | 109.5 | S6 T8 W9 N114 | S6-K133 WeakPolarHBondContact O-CE 3.35Å; S6-K133 PolarHBondContact O-NZ 3.34Å; T8-K133 WeakPolarHBondContact O-CA 3.32Å; W9-K133 HydrophobicContact CD2-CB 4.38Å; W9-K133 HydrophobicContact CD2-CG 4.24Å; W9-K133 HydrophobicContact CE3-CB 3.7Å; W9-K133 HydrophobicContact CE3-CG 4.02Å; W9-K133 HydrophobicContact CH2-CB 4.11Å; W9-K133 HydrophobicContact CH2-CD 3.76Å; W9-K133 HydrophobicContact CH2-CG 4Å; W9-K133 HydrophobicContact CZ2-CD 4.02Å; W9-K133 HydrophobicContact CZ2-CG 4.21Å; W9-K133 HydrophobicContact CZ3-CB 3.54Å; W9-K133 HydrophobicContact CZ3-CD 4.11Å; W9-K133 HydrophobicContact CZ3-CG 3.89Å; N114-K133 PolarHBondContact O-N 3.15Å; N114-K133 WeakPolarHBondContact OD1-CB 3.44Å |
| 134 | S | 92.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 66.8 Ų | 66.8 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | trans | -62.1 | 146.2 | 170.8 | -47.1 | 0 | 0 | 0 | 0 | 109 | T8 D10 K132 | T8-S134 WeakPolarHBondContact CB-OG 3.5Å; T8-S134 VanDerWaalsContact CG2-OG 3.3Å; T8-S134 WeakPolarHBondContact CG2-OG 3.47Å; T8-S134 PolarHBondContact O-N 3.15Å; T8-S134 PolarHBondContact O-OG 3.33Å; D10-S134 PolarHBondContact OD2-OG 3.19Å; K132-S134 PolarHBondContact O-N 2.94Å | ||
| 135 | A | 72.4 | Confident | 95.5 | Very high | 174 Ų | 174 | 62.3 Ų | 62.3 | 100% | 1.438 | 35% | 0.353 | S | S | * | . | trans | -70.4 | 0 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 135 of 135 residues in 26.1 ms
(Link to these results)