A0A087YAG2_POEFO Loading...

Proteasome assembly chaperone 2

Chaperone protein which promotes assembly of the 20S proteasome as part of a heterodimer with PSMG1. The PSMG1-PSMG2 heterodimer binds to the PSMA5 and PSMA7 proteasome subunits, promotes assembly of the proteasome alpha subunits into the heteroheptameric alpha ring and prevents alpha ring dimerization.

AlphaFold DB , UniProt , Accession A0A087YAG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 262 aa.

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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
1M85.9Confident83Confident147 Ų14784.2 Ų84.272%0.72449%0.485SS*.  0138.20-68.6-165.4-68.600107.7H48M1-H48 PolarHBondContact N-O 3.22Å; M1-H48 PolarHBondContact O-N 3.28Å
2F93.9Very high84Confident47 Ų4777.8 Ų77.821%0.20645%0.447CS..EExtended strand (participates in β ladder)trans-71.4134.6177.9174.2-105.9000110.7A10 F12 V44 Y46 V77 W109F2-A10 HydrophobicContact CE1-CB 4.23Å; F2-A10 HydrophobicContact CZ-CB 4.12Å; F2-F12 AromaticContact CD1-CE2 3.96Å; F2-F12 HydrophobicContact CD1-CE2 3.96Å; F2-F12 HydrophobicContact CD2-CE2 4.48Å; F2-F12 AromaticContact CE1-CE2 3.69Å; F2-F12 HydrophobicContact CE1-CE2 3.69Å; F2-F12 AromaticContact CE1-CZ 3.92Å; F2-F12 HydrophobicContact CE1-CZ 3.92Å; F2-F12 HydrophobicContact CE2-CE2 4.25Å; F2-F12 AromaticContact CE2-CZ 3.92Å; F2-F12 HydrophobicContact CE2-CZ 3.92Å; F2-F12 HydrophobicContact CG-CE2 4.34Å; F2-F12 AromaticContact CZ-CE2 3.85Å; F2-F12 HydrophobicContact CZ-CE2 3.85Å; F2-F12 AromaticContact CZ-CZ 3.59Å; F2-F12 HydrophobicContact CZ-CZ 3.59Å; F2-V44 HydrophobicContact CE2-CG2 4.45Å; F2-V44 HydrophobicContact CZ-CG2 4.27Å; F2-Y46 CarbonylContact C-O 3.48Å; F2-Y46 WeakPolarHBondContact CA-O 3.24Å; F2-V77 HydrophobicContact CD2-CB 4.29Å; F2-V77 HydrophobicContact CD2-CG2 3.79Å; F2-V77 HydrophobicContact CE2-CB 3.86Å; F2-V77 HydrophobicContact CE2-CG1 4.36Å; F2-V77 HydrophobicContact CE2-CG2 3.89Å; F2-W109 HydrophobicContact CB-CG 4.38Å; F2-W109 HydrophobicContact CD2-CZ2 4.4Å; F2-W109 AromaticContact CG-NE1 3.77Å
3I93.9Very high84.9Confident82 Ų8282.2 Ų82.242%0.42146%0.462SS..EExtended strand (participates in β ladder)trans-123.3117.5175.2-57.3-177000106.4G45 Y46 H48I3-G45 CarbonylContact O-C 3.55Å; I3-G45 WeakPolarHBondContact O-CA 3.24Å; I3-Y46 PolarHBondContact N-O 3.04Å; I3-Y46 PolarHBondContact O-N 3.31Å; I3-H48 HydrophobicContact CD1-CB 3.41Å; I3-H48 VanDerWaalsContact CD1-CB 3.41Å; I3-H48 HydrophobicContact CG1-CB 3.94Å
4S92.9Very high85.7Confident36 Ų3678.5 Ų78.525%0.25245%0.451SS..EExtended strand (participates in β ladder)trans-70140.6177.9-167.30000110.7Q6 V44S4-Q6 VanDerWaalsContact C-N 3.31Å; S4-Q6 PolarHBondContact OG-N 3.49Å; S4-V44 WeakPolarHBondContact CA-O 3.37Å; S4-V44 PolarHBondContact OG-O 3.21Å
5S87.4Confident86.5Confident56 Ų5675.3 Ų75.339%0.39243%0.43SS..SBendtrans-89.51.3171.360.30000112.8V44 G45S5-V44 PolarHBondContact N-O 3.1Å; S5-V44 PolarHBondContact OG-O 2.85Å; S5-G45 PolarHBondContact OG-N 3.37Å
6Q82.8Confident87.3Confident62 Ų6271.9 Ų71.929%0.2941%0.411SS..SBendtrans-109.8155.2-178.9-58.8-175.59.200110.2S4 S8S4-Q6 VanDerWaalsContact C-N 3.31Å; S4-Q6 PolarHBondContact OG-N 3.49Å; Q6-S8 PolarHBondContact O-N 2.98Å
7D69.8Low87.9Confident182 Ų18267.6 Ų67.697%0.97339%0.387SS*.SBendtrans-65.4-25.2177.9-62-42000112.4
8S70.1Confident88.6Confident73 Ų7363.9 Ų63.951%0.5137%0.365SS..SBendtrans-103.3141.8172.1580000111.3Q6 A10Q6-S8 PolarHBondContact O-N 2.98Å; S8-A10 PolarHBondContact O-N 3.48Å
9P72.4Confident89.1Confident109 Ų10960.5 Ų60.571%0.70835%0.346SS*.PPolyproline II helixtrans-66.1121.4179.224.6-31.1000110.7T11P9-T11 PolarHBondContact O-N 3.31Å
10A76.5Confident89.5Confident25 Ų2557.5 Ų57.521%0.20733%0.329CS..PPolyproline II helixtrans-58.5125.617200000110.3F2 S8 F12 V44F2-A10 HydrophobicContact CE1-CB 4.23Å; F2-A10 HydrophobicContact CZ-CB 4.12Å; S8-A10 PolarHBondContact O-N 3.48Å; A10-F12 HydrophobicContact CB-CE1 4.3Å; A10-F12 HydrophobicContact CB-CE2 4.42Å; A10-F12 HydrophobicContact CB-CZ 3.94Å; A10-V44 HydrophobicContact CB-CB 4.24Å; A10-V44 HydrophobicContact CB-CG2 4.32Å
11T87.4Confident89.9Confident107 Ų10754.9 Ų54.966%0.65631%0.314SS*.PPolyproline II helixtrans-99.6127.9176.9-60.30000109.5P9 Q13P9-T11 PolarHBondContact O-N 3.31Å; T11-Q13 HydrophobicContact CG2-CB 3.88Å
12F95.3Very high90.4Very high7 Ų749.2 Ų49.23%0.03129%0.287CS..  trans-108.59.4-178.7-58.1-63.6000113.4F2 A10 G14 F15 V44 V77 T79 A86 W109 S113 F115F2-F12 AromaticContact CD1-CE2 3.96Å; F2-F12 HydrophobicContact CD1-CE2 3.96Å; F2-F12 HydrophobicContact CD2-CE2 4.48Å; F2-F12 AromaticContact CE1-CE2 3.69Å; F2-F12 HydrophobicContact CE1-CE2 3.69Å; F2-F12 AromaticContact CE1-CZ 3.92Å; F2-F12 HydrophobicContact CE1-CZ 3.92Å; F2-F12 HydrophobicContact CE2-CE2 4.25Å; F2-F12 AromaticContact CE2-CZ 3.92Å; F2-F12 HydrophobicContact CE2-CZ 3.92Å; F2-F12 HydrophobicContact CG-CE2 4.34Å; F2-F12 AromaticContact CZ-CE2 3.85Å; F2-F12 HydrophobicContact CZ-CE2 3.85Å; F2-F12 AromaticContact CZ-CZ 3.59Å; F2-F12 HydrophobicContact CZ-CZ 3.59Å; A10-F12 HydrophobicContact CB-CE1 4.3Å; A10-F12 HydrophobicContact CB-CE2 4.42Å; A10-F12 HydrophobicContact CB-CZ 3.94Å; F12-G14 PolarHBondContact O-N 2.91Å; F12-G14 VanDerWaalsContact O-N 3.15Å; F12-F15 VanDerWaalsContact O-CB 3.31Å; F12-F15 WeakPolarHBondContact O-CB 3.22Å; F12-F15 PolarHBondContact O-N 3.46Å; F12-V44 HydrophobicContact CE1-CG2 4.08Å; F12-V44 HydrophobicContact CZ-CG2 4.05Å; F12-V77 HydrophobicContact CE1-CG1 4.08Å; F12-V77 HydrophobicContact CZ-CG1 3.97Å; F12-T79 HydrophobicContact CD1-CG2 4.34Å; F12-T79 HydrophobicContact CE1-CG2 3.77Å; F12-A86 HydrophobicContact CD1-CB 4.06Å; F12-A86 HydrophobicContact CE1-CB 4.32Å; F12-W109 HydrophobicContact CE2-CZ2 4.26Å; F12-S113 CarbonylContact C-O 3.42Å; F12-F115 HydrophobicContact CB-CD1 3.9Å; F12-F115 HydrophobicContact CB-CE1 3.38Å; F12-F115 HydrophobicContact CB-CE2 4.5Å; F12-F115 HydrophobicContact CB-CZ 3.71Å; F12-F115 AromaticContact CD1-CE1 3.93Å; F12-F115 HydrophobicContact CD1-CE1 3.93Å; F12-F115 HydrophobicContact CD1-CZ 4.17Å; F12-F115 HydrophobicContact CD2-CE1 4.44Å; F12-F115 HydrophobicContact CD2-CZ 4.01Å; F12-F115 AromaticContact CG-CE1 3.68Å; F12-F115 HydrophobicContact CG-CE1 3.68Å; F12-F115 AromaticContact CG-CZ 3.7Å; F12-F115 HydrophobicContact CG-CZ 3.7Å
13Q95.9Very high90.6Very high136 Ų13647.4 Ų47.464%0.63628%0.281SS*.THydrogen-bonded Turntrans-57.6121.8-175.9-174.862.539.600110.9T11 F15 G114T11-Q13 HydrophobicContact CG2-CB 3.88Å; Q13-F15 PolarHBondContact O-N 3.37Å; Q13-G114 WeakPolarHBondContact CA-O 3.41Å; Q13-G114 PolarHBondContact NE2-O 3.37Å
14G95.9Very high90.7Very high30 Ų3043.9 Ų43.931%0.30926%0.264SS..THydrogen-bonded Turntrans78.4-1.4-179.700000115.1F12 G114 S116F12-G14 PolarHBondContact O-N 2.91Å; F12-G14 VanDerWaalsContact O-N 3.15Å; G14-G114 PolarHBondContact N-O 3.46Å; G14-S116 WeakPolarHBondContact O-CB 3.41Å; G14-S116 PolarHBondContact O-OG 2.96Å
15F98Very high90.9Very high30 Ų3042.8 Ų42.813%0.13226%0.258CS..PPolyproline II helixtrans-71.7150.3176.5-78.2-130.2000111F12 Q13 T79 K84 A86 F115 S116F12-F15 VanDerWaalsContact O-CB 3.31Å; F12-F15 WeakPolarHBondContact O-CB 3.22Å; F12-F15 PolarHBondContact O-N 3.46Å; Q13-F15 PolarHBondContact O-N 3.37Å; F15-T79 HydrophobicContact CE1-CG2 4.45Å; F15-K84 CarbonylContact C-O 3.46Å; F15-K84 WeakPolarHBondContact CA-O 3.44Å; F15-K84 VanDerWaalsContact CB-O 3.3Å; F15-K84 WeakPolarHBondContact CB-O 3.28Å; F15-K84 HydrophobicContact CD1-CB 4.47Å; F15-K84 HydrophobicContact CD2-CB 4.11Å; F15-K84 HydrophobicContact CD2-CG 4.48Å; F15-K84 HydrophobicContact CE2-CB 4.32Å; F15-K84 HydrophobicContact CE2-CG 4.31Å; F15-K84 HydrophobicContact CG-CB 4.18Å; F15-K84 WeakPolarHBondContact CG-O 3.46Å; F15-A86 HydrophobicContact CB-CB 4.49Å; F15-A86 HydrophobicContact CD1-CB 4.23Å; F15-F115 HydrophobicContact CB-CD1 3.96Å; F15-F115 HydrophobicContact CB-CE1 4.29Å; F15-F115 CarbonylContact O-C 3.55Å; F15-F115 VanDerWaalsContact O-CA 3.28Å; F15-F115 WeakPolarHBondContact O-CA 3.39Å; F15-F115 WeakPolarHBondContact O-CB 3.26Å; F15-S116 PolarHBondContact O-N 3.37Å; F15-S116 PolarHBondContact O-OG 2.88Å
16T98.5Very high91.3Very high21 Ų2144 Ų4413%0.12926%0.26CS..EExtended strand (participates in β ladder)trans-82.2125.7161.6-64.60000108.2V18 K84 L85 A86 R117 V119 L229T16-V18 HydrophobicContact CG2-CG2 4.32Å; T16-K84 PolarHBondContact N-O 2.83Å; T16-L85 HydrophobicContact CG2-CD1 4.3Å; T16-A86 PolarHBondContact O-N 2.75Å; T16-R117 WeakPolarHBondContact CA-O 3.3Å; T16-R117 HydrophobicContact CG2-CG 3.72Å; T16-V119 HydrophobicContact CG2-CG2 4.29Å; T16-L229 HydrophobicContact CG2-CD1 4.13Å
17L98.7Very high92.1Very high0 Ų041 Ų410%025%0.246CC..EExtended strand (participates in β ladder)trans-90.4125.8168.917663.6000109.3M19 A86 L88 W109 I110 F115 R117 T118 V119L17-M19 HydrophobicContact CD2-SD 4.33Å; L17-A86 CarbonylContact C-O 3.54Å; L17-A86 WeakPolarHBondContact CA-O 3.31Å; L17-A86 HydrophobicContact CD1-CB 4.21Å; L17-L88 HydrophobicContact CD1-CB 4.18Å; L17-W109 HydrophobicContact CD1-CH2 4Å; L17-W109 HydrophobicContact CD1-CZ3 4.33Å; L17-W109 HydrophobicContact CD2-CH2 4.13Å; L17-W109 HydrophobicContact CD2-CZ3 3.75Å; L17-I110 HydrophobicContact CD2-CD1 4.28Å; L17-I110 HydrophobicContact CD2-CG1 3.79Å; L17-F115 HydrophobicContact CB-CB 4.47Å; L17-F115 HydrophobicContact CB-CD1 3.7Å; L17-F115 HydrophobicContact CB-CD2 4.1Å; L17-F115 HydrophobicContact CB-CE1 3.83Å; L17-F115 HydrophobicContact CB-CE2 4.23Å; L17-F115 HydrophobicContact CB-CG 3.84Å; L17-F115 HydrophobicContact CB-CZ 4.11Å; L17-F115 HydrophobicContact CD1-CE1 4.32Å; L17-F115 HydrophobicContact CD1-CZ 4.13Å; L17-F115 HydrophobicContact CD2-CD2 4.14Å; L17-F115 HydrophobicContact CD2-CE2 3.84Å; L17-F115 HydrophobicContact CD2-CZ 4.17Å; L17-F115 HydrophobicContact CG-CE2 4.46Å; L17-F115 HydrophobicContact CG-CZ 4.36Å; L17-R117 PolarHBondContact N-O 3.44Å; L17-T118 HydrophobicContact CB-CG2 4.27Å; L17-T118 HydrophobicContact CD2-CG2 3.9Å; L17-T118 HydrophobicContact CG-CG2 4.17Å; L17-T118 CarbonylContact O-C 3.53Å; L17-T118 VanDerWaalsContact O-CA 3.31Å; L17-T118 WeakPolarHBondContact O-CA 3.45Å; L17-V119 PolarHBondContact O-N 3.1Å
18V98.8Very high93.4Very high0 Ų032.3 Ų32.30%020%0.2CC..EExtended strand (participates in β ladder)trans-107.8132.5164.5178.50000108.3T16 V32 I35 L85 A86 V87 L88 V119 L121 L225 L229T16-V18 HydrophobicContact CG2-CG2 4.32Å; V18-V32 HydrophobicContact CG1-CG2 4.15Å; V18-I35 HydrophobicContact CG1-CD1 3.98Å; V18-L85 HydrophobicContact CG2-CD1 3.76Å; V18-A86 PolarHBondContact N-O 2.99Å; V18-V87 HydrophobicContact CB-CG2 4.21Å; V18-V87 VanDerWaalsContact O-CA 3.28Å; V18-V87 WeakPolarHBondContact O-CA 3.12Å; V18-L88 PolarHBondContact O-N 2.7Å; V18-V119 WeakPolarHBondContact CA-O 3.33Å; V18-V119 HydrophobicContact CG2-CB 4.37Å; V18-L121 HydrophobicContact CG1-CD1 3.83Å; V18-L121 HydrophobicContact CG1-CG 3.95Å; V18-L225 HydrophobicContact CG1-CD2 3.96Å; V18-L225 HydrophobicContact CG2-CD2 4.19Å; V18-L229 HydrophobicContact CG2-CD1 4.25Å
19M98.6Very high94.8Very high0 Ų029.5 Ų29.50%018%0.178CC..EExtended strand (participates in β ladder)trans-145.6146.1179.766172-73.400112.2L17 L88 I90 L106 I110 T118 V119 V120 L121 L191L17-M19 HydrophobicContact CD2-SD 4.33Å; M19-L88 HydrophobicContact CB-CB 3.89Å; M19-L88 HydrophobicContact CB-CD2 4.24Å; M19-L88 HydrophobicContact CB-CG 4.39Å; M19-L88 HydrophobicContact CE-CD2 3.98Å; M19-L88 HydrophobicContact SD-CD2 4.37Å; M19-I90 HydrophobicContact CE-CD1 4.5Å; M19-L106 HydrophobicContact CE-CD1 3.8Å; M19-L106 HydrophobicContact CE-CD2 3.96Å; M19-L106 HydrophobicContact CE-CG 4.49Å; M19-I110 HydrophobicContact SD-CD1 4.38Å; M19-T118 HydrophobicContact CG-CG2 4.34Å; M19-T118 HydrophobicContact SD-CG2 4.33Å; M19-V119 PolarHBondContact N-O 2.89Å; M19-V120 HydrophobicContact CG-CG2 4.13Å; M19-V120 CarbonylContact O-C 3.49Å; M19-V120 WeakPolarHBondContact O-CA 3.36Å; M19-V120 HydrophobicContact SD-CG2 4.48Å; M19-L121 PolarHBondContact O-N 2.9Å; M19-L191 HydrophobicContact CE-CD2 4.35Å; M19-L191 HydrophobicContact SD-CD2 4.5Å
20P98.5Very high96Very high0 Ų025.4 Ų25.40%015%0.15CC..EExtended strand (participates in β ladder)trans-84.7161.4174.438.6-36.2000110.3G28 Q29 V32 L88 I90 L121P20-G28 VanDerWaalsContact CB-C 3.41Å; P20-Q29 HydrophobicContact CB-CB 4.41Å; P20-Q29 HydrophobicContact CB-CG 3.87Å; P20-Q29 HydrophobicContact CG-CG 4.11Å; P20-V32 HydrophobicContact CB-CG2 4.35Å; P20-V32 HydrophobicContact CG-CG2 4.45Å; P20-L88 WeakPolarHBondContact CD-O 3.42Å; P20-I90 HydrophobicContact CG-CB 4.3Å; P20-I90 HydrophobicContact CG-CG1 4.4Å; P20-L121 CarbonylContact C-O 3.53Å; P20-L121 WeakPolarHBondContact CA-O 3.4Å
21V97.3Very high97Very high2 Ų224.2 Ų24.21%0.01214%0.14CC..  trans-109.3139.4154.2170.80000108.4A23 V120 L121 I187 T188V21-A23 HydrophobicContact CG1-CB 4.37Å; V21-A23 PolarHBondContact O-N 2.94Å; V21-V120 HydrophobicContact CB-CG1 4.5Å; V21-V120 HydrophobicContact CG2-CG1 3.48Å; V21-V120 VanDerWaalsContact CG2-CG1 3.48Å; V21-L121 PolarHBondContact N-O 3.19Å; V21-I187 HydrophobicContact CB-CG1 4.42Å; V21-I187 HydrophobicContact CG1-CG1 3.67Å; V21-I187 HydrophobicContact CG2-CD1 4.34Å; V21-I187 HydrophobicContact CG2-CG1 3.86Å; V21-T188 WeakPolarHBondContact CB-OG1 3.23Å; V21-T188 WeakPolarHBondContact CG1-OG1 3.39Å; V21-T188 WeakPolarHBondContact CG2-OG1 3.36Å
22V96.9Very high97.6Very high28 Ų2819.1 Ų19.117%0.1711%0.109CC..  trans-68.9101.9168.6-173.70000107.6I90V22-I90 HydrophobicContact CG2-CB 4.39Å; V22-I90 HydrophobicContact CG2-CG2 3.77Å
23A96.9Very high97.7Very high10 Ų1018.8 Ų18.88%0.08311%0.108CC..  trans-139.2175.1-173.600000109.4V21 G25 N26 S123 G184V21-A23 HydrophobicContact CG1-CB 4.37Å; V21-A23 PolarHBondContact O-N 2.94Å; A23-G25 PolarHBondContact O-N 3.2Å; A23-N26 PolarHBondContact O-N 3.21Å; A23-N26 PolarHBondContact O-OD1 3.32Å; A23-S123 WeakPolarHBondContact CB-OG 3.46Å; A23-G184 CarbonylContact C-O 3.59Å; A23-G184 VanDerWaalsContact CA-O 3.28Å; A23-G184 WeakPolarHBondContact CA-O 3.34Å; A23-G184 WeakPolarHBondContact CB-O 3.34Å
24V97Very high97.8Very high8 Ų812.3 Ų12.35%0.0488%0.078CC..G310 helixtrans-47.5133.8-178.357.80000112.5N26 S123 S124 H125 G184 C209 E211V24-N26 PolarHBondContact O-N 3.33Å; V24-N26 VanDerWaalsContact O-N 3.08Å; V24-S123 WeakPolarHBondContact O-CB 2.82Å; V24-S123 PolarHBondContact O-OG 2.76Å; V24-S124 VanDerWaalsContact CG1-C 3.45Å; V24-H125 WeakPolarHBondContact CG2-CE1 3.45Å; V24-H125 VanDerWaalsContact CG2-ND1 3.34Å; V24-H125 WeakPolarHBondContact CG2-ND1 3.34Å; V24-G184 PolarHBondContact N-O 2.97Å; V24-C209 PolarHBondContact O-SG 2.83Å; V24-E211 HydrophobicContact CG2-CG 3.71Å
25G95.8Very high97.9Very high13 Ų1310.9 Ų10.913%0.1346%0.063CC..G310 helixtrans684.7177.900000115.2A23 V27 N214A23-G25 PolarHBondContact O-N 3.2Å; G25-V27 PolarHBondContact O-N 3.15Å; G25-N214 WeakPolarHBondContact CA-OD1 3.3Å; G25-N214 WeakPolarHBondContact O-CB 3.1Å; G25-N214 PolarHBondContact O-OD1 2.91Å
26N97.3Very high97.9Very high80 Ų809.6 Ų9.643%0.4286%0.058SC..G310 helixtrans51.424.4178.9-55.6-29.4000114A23 V24 G28 Q29 L30A23-N26 PolarHBondContact O-N 3.21Å; A23-N26 PolarHBondContact O-OD1 3.32Å; V24-N26 PolarHBondContact O-N 3.33Å; V24-N26 VanDerWaalsContact O-N 3.08Å; N26-G28 VanDerWaalsContact C-N 3.31Å; N26-G28 PolarHBondContact O-N 2.95Å; N26-Q29 HydrophobicContact CB-CB 4.45Å; N26-Q29 WeakPolarHBondContact O-CB 3.4Å; N26-Q29 PolarHBondContact O-N 3.23Å; N26-Q29 PolarHBondContact OD1-OE1 2.72Å; N26-L30 WeakPolarHBondContact O-CG 3.45Å; N26-L30 PolarHBondContact O-N 2.68Å
27V98.1Very high97.8Very high0 Ų09 Ų90%05%0.054CC..Hα-helixtrans-56.7-44.3-170-175.80000111.4G25 Q29 L30 A31 C209 N214 D217 L221G25-V27 PolarHBondContact O-N 3.15Å; V27-Q29 VanDerWaalsContact C-N 3.35Å; V27-Q29 PolarHBondContact O-N 3.27Å; V27-L30 PolarHBondContact O-N 2.86Å; V27-A31 WeakPolarHBondContact O-CB 3.34Å; V27-A31 PolarHBondContact O-N 3.38Å; V27-C209 HydrophobicContact CG2-CB 4.15Å; V27-C209 VanDerWaalsContact CG2-SG 3.5Å; V27-N214 HydrophobicContact CG2-CB 4.13Å; V27-D217 HydrophobicContact CG1-CB 3.85Å; V27-D217 HydrophobicContact CG2-CB 3.98Å; V27-L221 HydrophobicContact CG1-CB 4.16Å; V27-L221 HydrophobicContact CG1-CD2 3.81Å
28G98.1Very high97.7Very high0 Ų010.5 Ų10.50%06%0.063CC..Hα-helixtrans-63-39.4177.800000113P20 N26 A31 V32P20-G28 VanDerWaalsContact CB-C 3.41Å; N26-G28 VanDerWaalsContact C-N 3.31Å; N26-G28 PolarHBondContact O-N 2.95Å; G28-A31 PolarHBondContact O-N 2.94Å; G28-V32 PolarHBondContact O-N 3Å
29Q98.2Very high97.5Very high14 Ų1412.4 Ų12.47%0.0657%0.073CC..Hα-helixtrans-67.7-42.6178.8-62.3167.3-103.600110.6P20 N26 V27 V32 D33 Q89 I90P20-Q29 HydrophobicContact CB-CB 4.41Å; P20-Q29 HydrophobicContact CB-CG 3.87Å; P20-Q29 HydrophobicContact CG-CG 4.11Å; N26-Q29 HydrophobicContact CB-CB 4.45Å; N26-Q29 WeakPolarHBondContact O-CB 3.4Å; N26-Q29 PolarHBondContact O-N 3.23Å; N26-Q29 PolarHBondContact OD1-OE1 2.72Å; V27-Q29 VanDerWaalsContact C-N 3.35Å; V27-Q29 PolarHBondContact O-N 3.27Å; Q29-V32 PolarHBondContact O-N 3.25Å; Q29-D33 PolarHBondContact O-N 3.4Å; Q29-Q89 PolarHBondContact O-NE2 3.48Å; Q29-I90 WeakPolarHBondContact CG-O 3.32Å; Q29-I90 PolarHBondContact NE2-O 3.47Å
30L98.2Very high97.3Very high22 Ų2218.7 Ų18.712%0.11511%0.107CC..Hα-helixtrans-65.8-37.9175-65173.7000111.9N26 V27 D33 L34 N214 A218 W249N26-L30 WeakPolarHBondContact O-CG 3.45Å; N26-L30 PolarHBondContact O-N 2.68Å; V27-L30 PolarHBondContact O-N 2.86Å; L30-D33 VanDerWaalsContact O-CB 3.3Å; L30-D33 WeakPolarHBondContact O-CB 3.35Å; L30-D33 PolarHBondContact O-N 3.01Å; L30-L34 PolarHBondContact O-N 2.89Å; L30-N214 HydrophobicContact CD1-CB 4.21Å; L30-A218 HydrophobicContact CB-CB 3.43Å; L30-A218 VanDerWaalsContact CB-CB 3.43Å; L30-A218 HydrophobicContact CD1-CB 4.41Å; L30-W249 HydrophobicContact CB-CH2 3.97Å; L30-W249 HydrophobicContact CB-CZ2 3.63Å; L30-W249 HydrophobicContact CD2-CH2 4.13Å; L30-W249 HydrophobicContact CD2-CZ2 3.35Å; L30-W249 HydrophobicContact CG-CZ2 4.04Å; L30-W249 WeakPolarHBondContact O-CZ2 3.28Å
31A98.5Very high97.1Very high0 Ų019.3 Ų19.30%011%0.11CC..Hα-helixtrans-65.2-42.5175.900000111.4V27 G28 D33 L34 I35 L121 L221 V222V27-A31 WeakPolarHBondContact O-CB 3.34Å; V27-A31 PolarHBondContact O-N 3.38Å; G28-A31 PolarHBondContact O-N 2.94Å; A31-D33 VanDerWaalsContact C-N 3.3Å; A31-D33 PolarHBondContact O-N 3.15Å; A31-L34 WeakPolarHBondContact O-CB 3.09Å; A31-L34 PolarHBondContact O-N 3.01Å; A31-I35 WeakPolarHBondContact O-CG1 3.37Å; A31-I35 PolarHBondContact O-N 3.38Å; A31-L121 HydrophobicContact CB-CD1 3.8Å; A31-L221 HydrophobicContact CB-CB 4.47Å; A31-L221 HydrophobicContact CB-CD2 4.25Å; A31-L221 HydrophobicContact CB-CG 4.44Å; A31-V222 HydrophobicContact CB-CB 4.23Å
32V98.4Very high96.9Very high0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-63.8-35.1174.5161.50000112.4V18 P20 G28 Q29 L34 I35 V36 V87 Q89 L121V18-V32 HydrophobicContact CG1-CG2 4.15Å; P20-V32 HydrophobicContact CB-CG2 4.35Å; P20-V32 HydrophobicContact CG-CG2 4.45Å; G28-V32 PolarHBondContact O-N 3Å; Q29-V32 PolarHBondContact O-N 3.25Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 2.82Å; V32-I35 PolarHBondContact O-N 3.48Å; V32-V36 HydrophobicContact CG1-CG2 4.21Å; V32-V36 WeakPolarHBondContact O-CG2 3.36Å; V32-V36 PolarHBondContact O-N 3.25Å; V32-V87 HydrophobicContact CB-CG1 4.34Å; V32-V87 HydrophobicContact CG1-CG1 3.26Å; V32-V87 HydrophobicContact CG2-CG1 4.3Å; V32-Q89 HydrophobicContact CG1-CB 3.96Å; V32-Q89 HydrophobicContact CG1-CG 4.32Å; V32-L121 HydrophobicContact CG2-CD1 3.99Å
33D98.1Very high96.8Very high1 Ų127.8 Ų27.81%0.00514%0.139CC..Hα-helixtrans-57-45.6172.9-87.1-7.7000112.5Q29 L30 A31 I35 V36 S37 Y61 Q89 R91 P246 W249Q29-D33 PolarHBondContact O-N 3.4Å; L30-D33 VanDerWaalsContact O-CB 3.3Å; L30-D33 WeakPolarHBondContact O-CB 3.35Å; L30-D33 PolarHBondContact O-N 3.01Å; A31-D33 VanDerWaalsContact C-N 3.3Å; A31-D33 PolarHBondContact O-N 3.15Å; D33-I35 VanDerWaalsContact C-N 3.33Å; D33-I35 PolarHBondContact O-N 3.29Å; D33-V36 PolarHBondContact O-N 3.4Å; D33-S37 WeakPolarHBondContact O-CB 3.46Å; D33-S37 PolarHBondContact O-N 3.46Å; D33-Y61 HydrophobicContact CB-CE1 4.28Å; D33-Y61 PolarHBondContact OD1-OH 3.39Å; D33-Q89 PolarHBondContact OD1-NE2 3.01Å; D33-R91 IonicContact OD1-CZ 3.52Å; D33-R91 IonicContact OD1-NH1 2.75Å; D33-R91 PolarHBondContact OD1-NH1 2.83Å; D33-R91 IonicContact OD1-NH2 3.4Å; D33-R91 PolarHBondContact OD1-NH2 3.04Å; D33-R91 IonicContact OD2-CZ 3.7Å; D33-R91 IonicContact OD2-NH1 2.83Å; D33-R91 PolarHBondContact OD2-NH1 2.93Å; D33-R91 IonicContact OD2-NH2 3.69Å; D33-P246 HydrophobicContact CB-CG 4Å; D33-W249 HydrophobicContact CB-CZ2 4.03Å; D33-W249 PolarHBondContact OD2-NE1 3.31Å
34L98.2Very high96.7Very high0 Ų027.5 Ų27.50%014%0.136CC..Hα-helixtrans-60.6-44.2177.2-65.2172.8000110.6L30 A31 V32 T38 A218 F219 V222 W243 I245 W249L30-L34 PolarHBondContact O-N 2.89Å; A31-L34 WeakPolarHBondContact O-CB 3.09Å; A31-L34 PolarHBondContact O-N 3.01Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 2.82Å; L34-T38 WeakPolarHBondContact O-CB 3.18Å; L34-T38 PolarHBondContact O-N 2.78Å; L34-T38 PolarHBondContact O-OG1 2.92Å; L34-A218 HydrophobicContact CD1-CB 4.34Å; L34-F219 HydrophobicContact CD1-CD1 4.09Å; L34-F219 HydrophobicContact CD1-CD2 4.09Å; L34-F219 HydrophobicContact CD1-CE1 4.26Å; L34-F219 HydrophobicContact CD1-CE2 4.21Å; L34-F219 HydrophobicContact CD1-CG 4.02Å; L34-F219 HydrophobicContact CD1-CZ 4.3Å; L34-F219 HydrophobicContact CD2-CE1 4.34Å; L34-F219 HydrophobicContact CD2-CE2 4.21Å; L34-F219 HydrophobicContact CD2-CZ 3.92Å; L34-V222 HydrophobicContact CB-CG1 4.5Å; L34-V222 HydrophobicContact CD1-CG1 3.81Å; L34-W243 HydrophobicContact CB-CB 4.25Å; L34-W243 HydrophobicContact CB-CE3 4.3Å; L34-W243 HydrophobicContact CD2-CB 4.18Å; L34-I245 HydrophobicContact CD2-CG1 4.17Å; L34-W249 HydrophobicContact CD1-CH2 4.33Å; L34-W249 HydrophobicContact CD2-CH2 3.99Å; L34-W249 HydrophobicContact CD2-CZ3 4.29Å; L34-W249 HydrophobicContact CG-CH2 4.05Å
35I98.2Very high96.7Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-61.6-52178.7-59.8168.2000111V18 A31 V32 D33 S37 T38 L39 M41 L85 V87 L121 V222 L225 L231 W243V18-I35 HydrophobicContact CG1-CD1 3.98Å; A31-I35 WeakPolarHBondContact O-CG1 3.37Å; A31-I35 PolarHBondContact O-N 3.38Å; V32-I35 PolarHBondContact O-N 3.48Å; D33-I35 VanDerWaalsContact C-N 3.33Å; D33-I35 PolarHBondContact O-N 3.29Å; I35-S37 PolarHBondContact O-N 3.43Å; I35-T38 PolarHBondContact O-N 2.67Å; I35-L39 HydrophobicContact CG2-CD1 3.78Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 PolarHBondContact O-N 2.97Å; I35-M41 HydrophobicContact CG2-SD 4.05Å; I35-L85 HydrophobicContact CG2-CD2 4.01Å; I35-V87 HydrophobicContact CG2-CG2 3.98Å; I35-L121 HydrophobicContact CD1-CD1 4.41Å; I35-V222 HydrophobicContact CD1-CG2 4Å; I35-V222 HydrophobicContact CG1-CG2 3.52Å; I35-L225 HydrophobicContact CD1-CD2 3.54Å; I35-L231 HydrophobicContact CG2-CD1 4.48Å; I35-W243 HydrophobicContact CG1-CZ3 4.16Å
36V97.8Very high96.7Very high3 Ų329.5 Ų29.52%0.01814%0.139CC..Hα-helixtrans-61.1-45.8-177.11730000111.1V32 D33 N40 M41 Y61 Y78 V87V32-V36 HydrophobicContact CG1-CG2 4.21Å; V32-V36 WeakPolarHBondContact O-CG2 3.36Å; V32-V36 PolarHBondContact O-N 3.25Å; D33-V36 PolarHBondContact O-N 3.4Å; V36-N40 PolarHBondContact O-N 2.88Å; V36-M41 HydrophobicContact CG1-CB 4.29Å; V36-M41 HydrophobicContact CG2-SD 4.09Å; V36-M41 PolarHBondContact O-N 3.45Å; V36-Y61 HydrophobicContact CB-CE1 3.95Å; V36-Y61 HydrophobicContact CB-CE2 4.21Å; V36-Y61 HydrophobicContact CG1-CD1 4.11Å; V36-Y61 HydrophobicContact CG1-CD2 3.73Å; V36-Y61 HydrophobicContact CG1-CE1 3.88Å; V36-Y61 HydrophobicContact CG1-CE2 3.45Å; V36-Y61 VanDerWaalsContact CG1-CE2 3.45Å; V36-Y61 HydrophobicContact CG1-CG 4.03Å; V36-Y78 HydrophobicContact CG1-CD1 3.79Å; V36-Y78 HydrophobicContact CG1-CD2 4.5Å; V36-Y78 HydrophobicContact CG1-CE1 4.01Å; V36-Y78 HydrophobicContact CG1-CG 4.06Å; V36-Y78 HydrophobicContact CG2-CD2 4.13Å; V36-Y78 HydrophobicContact CG2-CG 4.13Å; V36-V87 HydrophobicContact CG2-CB 4.25Å; V36-V87 HydrophobicContact CG2-CG1 3.62Å
37S96.5Very high96.6Very high7 Ų726 Ų265%0.04912%0.12CC..Hα-helixtrans-66.3-44.4179.91780000112.3D33 I35 N40 K244D33-S37 WeakPolarHBondContact O-CB 3.46Å; D33-S37 PolarHBondContact O-N 3.46Å; I35-S37 PolarHBondContact O-N 3.43Å; S37-N40 PolarHBondContact O-N 2.79Å; S37-K244 WeakPolarHBondContact CB-O 3.31Å; S37-K244 WeakPolarHBondContact OG-CG 3.45Å; S37-K244 PolarHBondContact OG-O 3.16Å
38T96.3Very high96.5Very high33 Ų3331.9 Ų31.920%0.20215%0.147CC..Hα-helixtrans-68.4-45.6-177-55.50000112.1L34 I35 N40 L232 K242 W243 K244L34-T38 WeakPolarHBondContact O-CB 3.18Å; L34-T38 PolarHBondContact O-N 2.78Å; L34-T38 PolarHBondContact O-OG1 2.92Å; I35-T38 PolarHBondContact O-N 2.67Å; T38-N40 PolarHBondContact O-N 2.82Å; T38-L232 HydrophobicContact CG2-CD1 4.01Å; T38-L232 HydrophobicContact CG2-CD2 3.84Å; T38-K242 VanDerWaalsContact CG2-O 3.22Å; T38-K242 WeakPolarHBondContact CG2-O 3.44Å; T38-W243 HydrophobicContact CG2-CE3 4.15Å; T38-W243 WeakPolarHBondContact OG1-CA 3.43Å; T38-K244 PolarHBondContact OG1-N 2.81Å
39L95.4Very high96.4Very high40 Ų4032.9 Ų32.921%0.20915%0.153CC..THydrogen-bonded Turntrans-843.8-178.8-61177.4000112.9I35 M41 L83 L85 L232I35-L39 HydrophobicContact CG2-CD1 3.78Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 PolarHBondContact O-N 2.97Å; L39-M41 HydrophobicContact CB-CG 3.69Å; L39-M41 HydrophobicContact CB-SD 4.47Å; L39-M41 HydrophobicContact CD1-SD 4.44Å; L39-M41 PolarHBondContact O-N 3.25Å; L39-L83 HydrophobicContact CD1-CD1 3.86Å; L39-L83 HydrophobicContact CD2-CD1 3.9Å; L39-L83 HydrophobicContact CG-CD1 4.49Å; L39-L85 HydrophobicContact CD1-CD2 3.63Å; L39-L232 HydrophobicContact CD2-CD2 3.63Å
40N94.1Very high96.3Very high131 Ų13135.9 Ų35.970%0.70117%0.17SC*.THydrogen-bonded Turntrans47.246.6-176.9-167.344.2000112.2V36 S37 T38V36-N40 PolarHBondContact O-N 2.88Å; S37-N40 PolarHBondContact O-N 2.79Å; T38-N40 PolarHBondContact O-N 2.82Å
41M95.1Very high96.3Very high14 Ų1434.8 Ų34.87%0.06916%0.164CC..PPolyproline II helixtrans-70139.8-169.1-55.9-178.872.100111.3I35 V36 L39 A80 L85 V87I35-M41 HydrophobicContact CG2-SD 4.05Å; V36-M41 HydrophobicContact CG1-CB 4.29Å; V36-M41 HydrophobicContact CG2-SD 4.09Å; V36-M41 PolarHBondContact O-N 3.45Å; L39-M41 HydrophobicContact CB-CG 3.69Å; L39-M41 HydrophobicContact CB-SD 4.47Å; L39-M41 HydrophobicContact CD1-SD 4.44Å; L39-M41 PolarHBondContact O-N 3.25Å; M41-A80 HydrophobicContact CE-CB 4.05Å; M41-A80 VanDerWaalsContact CE-N 3.33Å; M41-A80 HydrophobicContact CG-CB 4.28Å; M41-L85 HydrophobicContact CE-CD2 4.22Å; M41-L85 HydrophobicContact CE-CG 4.25Å; M41-L85 HydrophobicContact SD-CD2 4.46Å; M41-V87 HydrophobicContact CE-CB 3.86Å; M41-V87 HydrophobicContact CE-CG2 3.59Å; M41-V87 HydrophobicContact SD-CB 4Å; M41-V87 HydrophobicContact SD-CG2 3.62Å
42R92.4Very high96.2Very high173 Ų17335.3 Ų35.365%0.65317%0.167SC*.EExtended strand (participates in β ladder)trans-84.6134.9176.8-176.6176.5177.3172.4-0.2110.8V44 Y78 T79R42-V44 PolarHBondContact O-N 2.86Å; R42-Y78 CarbonylContact O-C 3.48Å; R42-Y78 VanDerWaalsContact O-CA 3.24Å; R42-Y78 WeakPolarHBondContact O-CA 3.3Å; R42-T79 PolarHBondContact N-O 3.48Å; R42-T79 PolarHBondContact O-N 3.36Å
43R94.5Very high96.1Very high35 Ų3539 Ų3913%0.13219%0.186CC..EExtended strand (participates in β ladder)trans-67.4124.6168.9-174.4175.257.6176-2.8110.2Y46 E70 L71 E76 V77 Y78R43-Y46 VanDerWaalsContact CZ-OH 3.31Å; R43-Y46 PolarHBondContact NH1-OH 3.28Å; R43-E70 IonicContact CZ-OE2 3.89Å; R43-E70 IonicContact NH2-OE2 3.74Å; R43-E70 PolarHBondContact NH2-OE2 3.17Å; R43-L71 PolarHBondContact NH1-O 3.48Å; R43-E76 IonicContact CZ-OE1 2.86Å; R43-E76 IonicContact NH1-OE1 3.01Å; R43-E76 PolarHBondContact NH1-OE1 3Å; R43-V77 WeakPolarHBondContact CA-O 3.23Å; R43-Y78 HydrophobicContact CB-CD1 3.89Å; R43-Y78 HydrophobicContact CB-CE1 3.67Å; R43-Y78 HydrophobicContact CG-CE1 4.27Å
44V95.8Very high96Very high4 Ų444.6 Ų44.62%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-111.9-7.1-178.8-59.50000113.8F2 S4 S5 A10 F12 R42 V77 T79F2-V44 HydrophobicContact CE2-CG2 4.45Å; F2-V44 HydrophobicContact CZ-CG2 4.27Å; S4-V44 WeakPolarHBondContact CA-O 3.37Å; S4-V44 PolarHBondContact OG-O 3.21Å; S5-V44 PolarHBondContact N-O 3.1Å; S5-V44 PolarHBondContact OG-O 2.85Å; A10-V44 HydrophobicContact CB-CB 4.24Å; A10-V44 HydrophobicContact CB-CG2 4.32Å; F12-V44 HydrophobicContact CE1-CG2 4.08Å; F12-V44 HydrophobicContact CZ-CG2 4.05Å; R42-V44 PolarHBondContact O-N 2.86Å; V44-V77 HydrophobicContact CG2-CB 4.22Å; V44-V77 HydrophobicContact CG2-CG1 3.99Å; V44-V77 WeakPolarHBondContact CG2-O 3.2Å; V44-V77 PolarHBondContact N-O 3.33Å; V44-T79 HydrophobicContact CB-CG2 4.4Å; V44-T79 HydrophobicContact CG1-CG2 3.85Å; V44-T79 WeakPolarHBondContact CG1-OG1 3.36Å; V44-T79 HydrophobicContact CG2-CG2 3.68Å
45G95.6Very high95.8Very high0 Ų048.2 Ų48.20%024%0.24CC..EExtended strand (participates in β ladder)trans165.6-166.9175.600000113.6I3 S5 V77I3-G45 CarbonylContact O-C 3.55Å; I3-G45 WeakPolarHBondContact O-CA 3.24Å; S5-G45 PolarHBondContact OG-N 3.37Å; G45-V77 PolarHBondContact N-O 2.89Å; G45-V77 PolarHBondContact O-N 3.38Å
46Y95.7Very high95.6Very high63 Ų6351.5 Ų51.525%0.24727%0.267CS..EExtended strand (participates in β ladder)trans-126.8140.7-170.5-51.7-82000110F2 I3 R43 H48 T73 E76F2-Y46 CarbonylContact C-O 3.48Å; F2-Y46 WeakPolarHBondContact CA-O 3.24Å; I3-Y46 PolarHBondContact N-O 3.04Å; I3-Y46 PolarHBondContact O-N 3.31Å; R43-Y46 VanDerWaalsContact CZ-OH 3.31Å; R43-Y46 PolarHBondContact NH1-OH 3.28Å; Y46-H48 PolarHBondContact O-N 3.21Å; Y46-T73 HydrophobicContact CD1-CG2 4.4Å; Y46-T73 VanDerWaalsContact CD1-OG1 3.28Å; Y46-T73 WeakPolarHBondContact CD1-OG1 3.44Å; Y46-T73 HydrophobicContact CE1-CG2 4.35Å; Y46-E76 HydrophobicContact CD1-CG 3.95Å; Y46-E76 HydrophobicContact CE1-CG 4.32Å; Y46-E76 WeakPolarHBondContact CE1-OE1 3.48Å
47F96.3Very high95.3Very high5 Ų552.7 Ų52.72%0.02228%0.279CS..EExtended strand (participates in β ladder)trans-91.283.8167.3-166.9-91000109.4T49 A75 L88 F102 Q105 L106 W109F47-T49 HydrophobicContact CD1-CG2 4.18Å; F47-T49 HydrophobicContact CE1-CG2 4.33Å; F47-T49 PolarHBondContact O-N 2.79Å; F47-A75 HydrophobicContact CB-CB 3.92Å; F47-A75 PolarHBondContact N-O 2.78Å; F47-L88 HydrophobicContact CB-CD1 3.84Å; F47-F102 AromaticContact CD1-CE2 3.96Å; F47-F102 HydrophobicContact CD1-CE2 3.96Å; F47-F102 HydrophobicContact CE1-CD2 4.2Å; F47-F102 AromaticContact CE1-CE2 3.62Å; F47-F102 HydrophobicContact CE1-CE2 3.62Å; F47-F102 HydrophobicContact CE1-CZ 4.46Å; F47-Q105 HydrophobicContact CE1-CB 4.49Å; F47-Q105 HydrophobicContact CZ-CB 4.08Å; F47-L106 HydrophobicContact CE1-CD2 4.07Å; F47-L106 HydrophobicContact CE1-CG 4.37Å; F47-L106 HydrophobicContact CE2-CD2 4.07Å; F47-L106 HydrophobicContact CZ-CD2 3.79Å; F47-L106 HydrophobicContact CZ-CG 4.12Å; F47-W109 AromaticContact CD2-CD2 3.94Å; F47-W109 HydrophobicContact CD2-CD2 3.94Å; F47-W109 AromaticContact CD2-CE3 3.85Å; F47-W109 HydrophobicContact CD2-CE3 3.85Å; F47-W109 HydrophobicContact CD2-CG 4.32Å; F47-W109 HydrophobicContact CD2-CZ3 4.33Å; F47-W109 HydrophobicContact CE2-CB 3.79Å; F47-W109 AromaticContact CE2-CD2 3.76Å; F47-W109 HydrophobicContact CE2-CD2 3.76Å; F47-W109 AromaticContact CE2-CE3 3.68Å; F47-W109 HydrophobicContact CE2-CE3 3.68Å; F47-W109 AromaticContact CE2-CG 3.81Å; F47-W109 HydrophobicContact CE2-CG 3.81Å
48H94.9Very high95.1Very high125 Ų12557.9 Ų57.958%0.57931%0.307SS*.  trans-72.8122.8-176-17777.8000111.8M1 I3 Y46M1-H48 PolarHBondContact N-O 3.22Å; M1-H48 PolarHBondContact O-N 3.28Å; I3-H48 HydrophobicContact CD1-CB 3.41Å; I3-H48 VanDerWaalsContact CD1-CB 3.41Å; I3-H48 HydrophobicContact CG1-CB 3.94Å; Y46-H48 PolarHBondContact O-N 3.21Å
49T96.2Very high95Very high21 Ų2157.1 Ų57.113%0.12930%0.301CS..  trans-155.2151.8178.9-177.40000111.4F47 C51 L52 F102 Q105F47-T49 HydrophobicContact CD1-CG2 4.18Å; F47-T49 HydrophobicContact CE1-CG2 4.33Å; F47-T49 PolarHBondContact O-N 2.79Å; T49-C51 VanDerWaalsContact C-N 3.26Å; T49-C51 HydrophobicContact CG2-CB 4.3Å; T49-C51 WeakPolarHBondContact OG1-CB 3.31Å; T49-C51 PolarHBondContact OG1-N 2.99Å; T49-C51 VanDerWaalsContact OG1-N 3.13Å; T49-C51 PolarHBondContact OG1-SG 3.45Å; T49-L52 HydrophobicContact CG2-CB 4.36Å; T49-L52 HydrophobicContact CG2-CD1 3.84Å; T49-L52 HydrophobicContact CG2-CG 3.72Å; T49-F102 HydrophobicContact CG2-CD2 4Å; T49-F102 HydrophobicContact CG2-CE2 3.82Å; T49-Q105 PolarHBondContact OG1-OE1 2.93Å
50D96.2Very high94.8Very high76 Ų7655.9 Ų55.941%0.40630%0.296SS..THydrogen-bonded Turntrans-90.514.5170.967.1-11.7000112.5R98 K101D50-R98 VanDerWaalsContact O-CD 3.24Å; D50-R98 WeakPolarHBondContact O-CD 3.4Å; D50-R98 PolarHBondContact O-NH1 3.19Å; D50-R98 IonicContact OD1-NH1 2.69Å; D50-R98 PolarHBondContact OD1-NH1 3.46Å; D50-R98 IonicContact OD2-CZ 2.79Å; D50-R98 IonicContact OD2-NH1 2.61Å; D50-R98 PolarHBondContact OD2-NH1 2.96Å; D50-K101 WeakPolarHBondContact OD1-CE 3.41Å; D50-K101 IonicContact OD1-NZ 2.78Å; D50-K101 PolarHBondContact OD1-NZ 3.38Å; D50-K101 IonicContact OD2-NZ 2.78Å; D50-K101 PolarHBondContact OD2-NZ 3.16Å
51C97.7Very high94.8Very high0 Ų050.9 Ų50.90%027%0.267CS..THydrogen-bonded Turntrans-98.2-11.2-179.4-58.90000113.7T49 I94 I95 R98 F102T49-C51 VanDerWaalsContact C-N 3.26Å; T49-C51 HydrophobicContact CG2-CB 4.3Å; T49-C51 WeakPolarHBondContact OG1-CB 3.31Å; T49-C51 PolarHBondContact OG1-N 2.99Å; T49-C51 VanDerWaalsContact OG1-N 3.13Å; T49-C51 PolarHBondContact OG1-SG 3.45Å; C51-I94 WeakPolarHBondContact O-CA 3.49Å; C51-I95 PolarHBondContact O-N 3.01Å; C51-R98 HydrophobicContact CB-CB 4.05Å; C51-F102 HydrophobicContact CB-CB 3.7Å; C51-F102 HydrophobicContact CB-CD2 3.81Å; C51-F102 HydrophobicContact CB-CG 4.06Å
52L97.3Very high94.6Very high10 Ų1051 Ų515%0.05227%0.27CS..BIsolated β-bridgetrans-103.9150.2178.2-61.3175.9000109.6T49 P74 A75 I90 A92 I94 F102T49-L52 HydrophobicContact CG2-CB 4.36Å; T49-L52 HydrophobicContact CG2-CD1 3.84Å; T49-L52 HydrophobicContact CG2-CG 3.72Å; L52-P74 HydrophobicContact CB-CB 4.21Å; L52-P74 HydrophobicContact CD1-CB 4.03Å; L52-A75 HydrophobicContact CD1-CB 3.54Å; L52-I90 HydrophobicContact CD1-CG2 4.19Å; L52-I90 HydrophobicContact CD2-CG2 4.05Å; L52-A92 HydrophobicContact CB-CB 4.48Å; L52-I94 HydrophobicContact CD2-CB 4.34Å; L52-I94 HydrophobicContact CD2-CG1 3.63Å; L52-F102 HydrophobicContact CD1-CE2 4.31Å; L52-F102 HydrophobicContact CD1-CZ 4.49Å; L52-F102 HydrophobicContact CD2-CE1 4.47Å; L52-F102 HydrophobicContact CD2-CE2 4.18Å; L52-F102 HydrophobicContact CD2-CZ 4.08Å; L52-F102 HydrophobicContact CG-CE2 4.2Å; L52-F102 HydrophobicContact CG-CZ 4.5Å
53I96.9Very high94.1Very high79 Ų7947.1 Ų47.141%0.40527%0.27SS..PPolyproline II helixtrans-62129.5170.3-63.1-63.7000108.9M55 A92 P93 I95I53-M55 PolarHBondContact O-N 2.97Å; I53-A92 HydrophobicContact CB-CB 4.32Å; I53-A92 WeakPolarHBondContact O-CB 3.36Å; I53-P93 HydrophobicContact CB-CG 4.32Å; I53-P93 HydrophobicContact CG1-CG 3.89Å; I53-P93 PolarHBondContact N-O 3.18Å; I53-I95 HydrophobicContact CD1-CD1 4.32Å; I53-I95 HydrophobicContact CD1-CG1 3.67Å; I53-I95 HydrophobicContact CG1-CG1 4.32Å
54P95Very high93.5Very high117 Ų11747.4 Ų47.476%0.7628%0.283SS*.PPolyproline II helixtrans-59.2133.7176.8-23.833.9000111.2
55M94.2Very high92.7Very high77 Ų7756.4 Ų56.438%0.37932%0.322SS..  trans-149.5146.3177.3173.2-88.8-109.900108.5I53 P74 R91 A92I53-M55 PolarHBondContact O-N 2.97Å; M55-P74 HydrophobicContact CB-CG 4.07Å; M55-P74 VanDerWaalsContact O-CD 3.27Å; M55-P74 WeakPolarHBondContact O-CD 3.45Å; M55-R91 HydrophobicContact CE-CB 3.29Å; M55-R91 HydrophobicContact CE-CG 3.99Å; M55-A92 HydrophobicContact CB-CB 4.5Å
56A94.8Very high91.8Very high69 Ų6961.1 Ų61.157%0.5736%0.361SS*.  trans-138.2143.6166.900000108.7L71 H72A56-L71 HydrophobicContact CB-CD1 3.94Å; A56-L71 HydrophobicContact CB-CG 4.39Å; A56-H72 VanDerWaalsContact CA-O 3.27Å; A56-H72 WeakPolarHBondContact CA-O 3.33Å
57G91.7Very high91.2Very high27 Ų2759.8 Ų59.828%0.27836%0.358SS..BIsolated β-bridgetrans-155.5176.5-17800000112.4H72G57-H72 PolarHBondContact N-O 3.32Å; G57-H72 PolarHBondContact O-N 2.93Å
58N91.6Very high90.5Very high117 Ų11761.1 Ų61.163%0.62637%0.37SS*.  trans-72.9171.1171.463.9-36.1000111.4P60N58-P60 VanDerWaalsContact O-CD 3.26Å; N58-P60 WeakPolarHBondContact O-CD 3.34Å
59N92.9Very high90Very high16 Ų1663.6 Ų63.69%0.08638%0.382CS..  trans-65.7115176-177.1-2.3000112.1Y61 A62 D67 E70 H72N59-Y61 PolarHBondContact O-N 3.31Å; N59-Y61 PolarHBondContact OD1-N 3.1Å; N59-A62 HydrophobicContact CB-CB 4.21Å; N59-A62 WeakPolarHBondContact O-CB 3.41Å; N59-A62 PolarHBondContact O-N 3.26Å; N59-A62 PolarHBondContact OD1-N 3.4Å; N59-D67 WeakPolarHBondContact CB-O 3.37Å; N59-D67 PolarHBondContact ND2-O 3.48Å; N59-E70 HydrophobicContact CB-CB 4.49Å; N59-E70 PolarHBondContact N-O 2.91Å; N59-H72 WeakPolarHBondContact CA-CD2 3.29Å; N59-H72 WeakPolarHBondContact CA-NE2 3.28Å; N59-H72 VanDerWaalsContact CB-NE2 3.32Å; N59-H72 WeakPolarHBondContact CB-NE2 3.3Å; N59-H72 VanDerWaalsContact CG-NE2 3.33Å; N59-H72 PolarHBondContact OD1-NE2 2.82Å
60P92.3Very high89.7Confident14 Ų1466.8 Ų66.89%0.09140%0.395CS..THydrogen-bonded Turntrans-73.5-14.1-178.230.2-34.1000113.3N58 R91 T247 S248N58-P60 VanDerWaalsContact O-CD 3.26Å; N58-P60 WeakPolarHBondContact O-CD 3.34Å; P60-R91 VanDerWaalsContact CG-NH2 3.28Å; P60-T247 PolarHBondContact O-OG1 2.66Å; P60-S248 WeakPolarHBondContact O-CB 3.44Å; P60-S248 PolarHBondContact O-N 3.13Å; P60-S248 VanDerWaalsContact O-N 3.1Å; P60-S248 PolarHBondContact O-OG 3.25Å
61Y94Very high89.4Confident27 Ų2768.5 Ų68.511%0.10640%0.404CS..THydrogen-bonded Turntrans-108.612.5-178.7-48-67.1000112.5D33 V36 N59 S63 Y78 R91 P246D33-Y61 HydrophobicContact CB-CE1 4.28Å; D33-Y61 PolarHBondContact OD1-OH 3.39Å; V36-Y61 HydrophobicContact CB-CE1 3.95Å; V36-Y61 HydrophobicContact CB-CE2 4.21Å; V36-Y61 HydrophobicContact CG1-CD1 4.11Å; V36-Y61 HydrophobicContact CG1-CD2 3.73Å; V36-Y61 HydrophobicContact CG1-CE1 3.88Å; V36-Y61 HydrophobicContact CG1-CE2 3.45Å; V36-Y61 VanDerWaalsContact CG1-CE2 3.45Å; V36-Y61 HydrophobicContact CG1-CG 4.03Å; N59-Y61 PolarHBondContact O-N 3.31Å; N59-Y61 PolarHBondContact OD1-N 3.1Å; Y61-S63 PolarHBondContact O-N 3.25Å; Y61-Y78 HydrophobicContact CD2-CE1 4.2Å; Y61-Y78 HydrophobicContact CE2-CE1 4Å; Y61-Y78 HydrophobicContact CE2-CE2 4.3Å; Y61-Y78 AromaticContact CE2-CZ 3.68Å; Y61-Y78 WeakPolarHBondContact CE2-OH 3.31Å; Y61-R91 PolarHBondContact OH-NH2 3.38Å; Y61-P246 HydrophobicContact CD1-CB 3.73Å; Y61-P246 HydrophobicContact CE1-CB 4.1Å
62A89.7Confident89.3Confident15 Ų1568.9 Ų68.912%0.12441%0.406CS..  trans-51129.9-173.900000111.5N59 A68 T247N59-A62 HydrophobicContact CB-CB 4.21Å; N59-A62 WeakPolarHBondContact O-CB 3.41Å; N59-A62 PolarHBondContact O-N 3.26Å; N59-A62 PolarHBondContact OD1-N 3.4Å; A62-A68 HydrophobicContact CB-CB 3.96Å; A62-T247 PolarHBondContact N-OG1 3.17Å; A62-T247 WeakPolarHBondContact O-CG2 3.34Å; A62-T247 PolarHBondContact O-OG1 3.2Å
63S82.3Confident89.2Confident93 Ų9370.3 Ų70.365%0.6542%0.415SS*.  trans-109.5-15.618063.50000112.7Y61 D67Y61-S63 PolarHBondContact O-N 3.25Å; S63-D67 PolarHBondContact N-OD1 3.37Å; S63-D67 PolarHBondContact N-OD2 2.9Å; S63-D67 PolarHBondContact OG-OD2 2.84Å; S63-D67 VanDerWaalsContact OG-OD2 3.04Å
64G82.4Confident89.2Confident40 Ų4067.7 Ų67.741%0.41240%0.403SS..SBendtrans-150.9-168.9175.700000112.3D67 A68G64-D67 VanDerWaalsContact C-OD1 3.22Å; G64-D67 WeakPolarHBondContact CA-OD1 3.11Å; G64-D67 PolarHBondContact N-OD1 2.61Å; G64-A68 WeakPolarHBondContact O-CB 3.29Å
65K78.4Confident89.3Confident193 Ų19362.2 Ų62.284%0.83937%0.368SS*.Hα-helixtrans-77-30.3178-70.6-173.6176.8-177.30112.8
66A77.9Confident89.5Confident100 Ų10058.7 Ų58.783%0.82635%0.351SS*.Hα-helixtrans-71.5-34-173.500000113.1
67D83.1Confident89.7Confident34 Ų3455.4 Ų55.418%0.18232%0.323CS..Hα-helixtrans-95.7-10.5179.961.1-28.1000113.1N59 S63 G64 E69 E70N59-D67 WeakPolarHBondContact CB-O 3.37Å; N59-D67 PolarHBondContact ND2-O 3.48Å; S63-D67 PolarHBondContact N-OD1 3.37Å; S63-D67 PolarHBondContact N-OD2 2.9Å; S63-D67 PolarHBondContact OG-OD2 2.84Å; S63-D67 VanDerWaalsContact OG-OD2 3.04Å; G64-D67 VanDerWaalsContact C-OD1 3.22Å; G64-D67 WeakPolarHBondContact CA-OD1 3.11Å; G64-D67 PolarHBondContact N-OD1 2.61Å; D67-E69 VanDerWaalsContact C-N 3.32Å; D67-E69 PolarHBondContact O-N 3.4Å; D67-E70 PolarHBondContact O-N 3.34Å
68A82Confident89.9Confident33 Ų3354.4 Ų54.427%0.27331%0.311SS..Hα-helixtrans-68.1-29.5178.900000113.5A62 G64 E70A62-A68 HydrophobicContact CB-CB 3.96Å; G64-A68 WeakPolarHBondContact O-CB 3.29Å; A68-E70 VanDerWaalsContact C-N 3.32Å
69E83.2Confident90.2Very high178 Ų17850.1 Ų50.183%0.83229%0.289SS*.THydrogen-bonded Turntrans-84.9-4.3-177.4-62.2-175.8177.300113.2D67 L71D67-E69 VanDerWaalsContact C-N 3.32Å; D67-E69 PolarHBondContact O-N 3.4Å; E69-L71 PolarHBondContact O-N 2.88Å
70E89.2Confident90.3Very high87 Ų8750.2 Ų50.241%0.40729%0.292SS..  trans-62134.1174.4-71.5-166.6-16200110.6R43 N59 D67 A68 H72R43-E70 IonicContact CZ-OE2 3.89Å; R43-E70 IonicContact NH2-OE2 3.74Å; R43-E70 PolarHBondContact NH2-OE2 3.17Å; N59-E70 HydrophobicContact CB-CB 4.49Å; N59-E70 PolarHBondContact N-O 2.91Å; D67-E70 PolarHBondContact O-N 3.34Å; A68-E70 VanDerWaalsContact C-N 3.32Å; E70-H72 PolarHBondContact O-CD2 2.92Å
71L91.6Very high90.3Very high112 Ų11252.5 Ų52.559%0.58631%0.312SS*.  trans-79.3126.4175.6-166.470.1000109.6R43 A56 E69R43-L71 PolarHBondContact NH1-O 3.48Å; A56-L71 HydrophobicContact CB-CD1 3.94Å; A56-L71 HydrophobicContact CB-CG 4.39Å; E69-L71 PolarHBondContact O-N 2.88Å
72H94.8Very high90.3Very high9 Ų960.1 Ų60.14%0.04235%0.349CS..BIsolated β-bridgetrans-110.2149.7175.2-76-105.3000111.3A56 G57 N59 E70 E76 Y78A56-H72 VanDerWaalsContact CA-O 3.27Å; A56-H72 WeakPolarHBondContact CA-O 3.33Å; G57-H72 PolarHBondContact N-O 3.32Å; G57-H72 PolarHBondContact O-N 2.93Å; N59-H72 WeakPolarHBondContact CA-CD2 3.29Å; N59-H72 WeakPolarHBondContact CA-NE2 3.28Å; N59-H72 VanDerWaalsContact CB-NE2 3.32Å; N59-H72 WeakPolarHBondContact CB-NE2 3.3Å; N59-H72 VanDerWaalsContact CG-NE2 3.33Å; N59-H72 PolarHBondContact OD1-NE2 2.82Å; E70-H72 PolarHBondContact O-CD2 2.92Å; H72-E76 VanDerWaalsContact CA-OE1 3.28Å; H72-E76 WeakPolarHBondContact CA-OE1 3.28Å; H72-E76 IonicContact CE1-OE2 2.79Å; H72-E76 IonicContact CG-OE1 2.75Å; H72-E76 IonicContact CG-OE2 3.46Å; H72-E76 IonicContact ND1-OE1 3.8Å; H72-E76 PolarHBondContact ND1-OE1 3.4Å; H72-E76 IonicContact ND1-OE2 3.32Å; H72-E76 PolarHBondContact ND1-OE2 3.42Å; H72-Y78 PolarHBondContact ND1-OH 3.06Å
73T95.6Very high90.5Very high40 Ų4063.3 Ų63.325%0.24536%0.363CS..  trans-123.3176.2-171.667.40000111.3Y46 A75 E76Y46-T73 HydrophobicContact CD1-CG2 4.4Å; Y46-T73 VanDerWaalsContact CD1-OG1 3.28Å; Y46-T73 WeakPolarHBondContact CD1-OG1 3.44Å; Y46-T73 HydrophobicContact CE1-CG2 4.35Å; T73-A75 VanDerWaalsContact C-N 3.29Å; T73-A75 PolarHBondContact O-N 3Å; T73-E76 PolarHBondContact N-OE1 2.83Å
74P97Very high91.2Very high23 Ų2365.1 Ų65.115%0.14936%0.36CS..SBendtrans-63.6-27.1-170.7-26.837.3000115.7L52 M55 I90 R91 A92L52-P74 HydrophobicContact CB-CB 4.21Å; L52-P74 HydrophobicContact CD1-CB 4.03Å; M55-P74 HydrophobicContact CB-CG 4.07Å; M55-P74 VanDerWaalsContact O-CD 3.27Å; M55-P74 WeakPolarHBondContact O-CD 3.45Å; P74-I90 CarbonylContact O-C 3.55Å; P74-I90 WeakPolarHBondContact O-CA 3.45Å; P74-R91 PolarHBondContact O-N 3.5Å; P74-A92 HydrophobicContact CB-CB 3.74Å; P74-A92 HydrophobicContact CG-CB 4.37Å
75A97.8Very high91.9Very high3 Ų363.4 Ų63.43%0.02534%0.341CS..EExtended strand (participates in β ladder)trans-147.4119.4-177.100000112F47 L52 T73 L88 Q89 I90F47-A75 HydrophobicContact CB-CB 3.92Å; F47-A75 PolarHBondContact N-O 2.78Å; L52-A75 HydrophobicContact CD1-CB 3.54Å; T73-A75 VanDerWaalsContact C-N 3.29Å; T73-A75 PolarHBondContact O-N 3Å; A75-L88 HydrophobicContact CB-CD1 4.34Å; A75-Q89 CarbonylContact C-O 3.52Å; A75-Q89 VanDerWaalsContact CA-O 3.23Å; A75-Q89 WeakPolarHBondContact CA-O 3.47Å; A75-I90 HydrophobicContact CB-CG1 4.4Å
76E97.5Very high92.9Very high3 Ų354.2 Ų54.21%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-136.1144.8-167.5-61.8-175.9136.300110.3R43 Y46 H72 T73 Y78 L88 Q89R43-E76 IonicContact CZ-OE1 2.86Å; R43-E76 IonicContact NH1-OE1 3.01Å; R43-E76 PolarHBondContact NH1-OE1 3Å; Y46-E76 HydrophobicContact CD1-CG 3.95Å; Y46-E76 HydrophobicContact CE1-CG 4.32Å; Y46-E76 WeakPolarHBondContact CE1-OE1 3.48Å; H72-E76 VanDerWaalsContact CA-OE1 3.28Å; H72-E76 WeakPolarHBondContact CA-OE1 3.28Å; H72-E76 IonicContact CE1-OE2 2.79Å; H72-E76 IonicContact CG-OE1 2.75Å; H72-E76 IonicContact CG-OE2 3.46Å; H72-E76 IonicContact ND1-OE1 3.8Å; H72-E76 PolarHBondContact ND1-OE1 3.4Å; H72-E76 IonicContact ND1-OE2 3.32Å; H72-E76 PolarHBondContact ND1-OE2 3.42Å; T73-E76 PolarHBondContact N-OE1 2.83Å; E76-Y78 HydrophobicContact CB-CE2 3.68Å; E76-Y78 PolarHBondContact OE2-OH 2.8Å; E76-L88 CarbonylContact O-C 3.54Å; E76-L88 WeakPolarHBondContact O-CA 3.23Å; E76-Q89 PolarHBondContact N-O 2.69Å; E76-Q89 PolarHBondContact O-N 2.87Å
77V98Very high93.9Very high0 Ų049.4 Ų49.40%026%0.261CS..EExtended strand (participates in β ladder)trans-111.9130.8-178.4-173.80000109.1F2 F12 R43 V44 G45 V87 L88 W109F2-V77 HydrophobicContact CD2-CB 4.29Å; F2-V77 HydrophobicContact CD2-CG2 3.79Å; F2-V77 HydrophobicContact CE2-CB 3.86Å; F2-V77 HydrophobicContact CE2-CG1 4.36Å; F2-V77 HydrophobicContact CE2-CG2 3.89Å; F12-V77 HydrophobicContact CE1-CG1 4.08Å; F12-V77 HydrophobicContact CZ-CG1 3.97Å; R43-V77 WeakPolarHBondContact CA-O 3.23Å; V44-V77 HydrophobicContact CG2-CB 4.22Å; V44-V77 HydrophobicContact CG2-CG1 3.99Å; V44-V77 WeakPolarHBondContact CG2-O 3.2Å; V44-V77 PolarHBondContact N-O 3.33Å; G45-V77 PolarHBondContact N-O 2.89Å; G45-V77 PolarHBondContact O-N 3.38Å; V77-V87 CarbonylContact C-O 3.58Å; V77-V87 WeakPolarHBondContact CA-O 3.26Å; V77-L88 HydrophobicContact CG2-CD1 3.98Å; V77-W109 HydrophobicContact CG1-CH2 4.42Å; V77-W109 HydrophobicContact CG1-CZ2 4.4Å; V77-W109 HydrophobicContact CG2-CH2 3.95Å; V77-W109 HydrophobicContact CG2-CZ2 4.02Å
78Y97.5Very high94.6Very high6 Ų647.8 Ų47.82%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-118.8153.3179.7-59.6-98.6000109.8V36 R42 R43 Y61 H72 E76 A86 V87 Q89V36-Y78 HydrophobicContact CG1-CD1 3.79Å; V36-Y78 HydrophobicContact CG1-CD2 4.5Å; V36-Y78 HydrophobicContact CG1-CE1 4.01Å; V36-Y78 HydrophobicContact CG1-CG 4.06Å; V36-Y78 HydrophobicContact CG2-CD2 4.13Å; V36-Y78 HydrophobicContact CG2-CG 4.13Å; R42-Y78 CarbonylContact O-C 3.48Å; R42-Y78 VanDerWaalsContact O-CA 3.24Å; R42-Y78 WeakPolarHBondContact O-CA 3.3Å; R43-Y78 HydrophobicContact CB-CD1 3.89Å; R43-Y78 HydrophobicContact CB-CE1 3.67Å; R43-Y78 HydrophobicContact CG-CE1 4.27Å; Y61-Y78 HydrophobicContact CD2-CE1 4.2Å; Y61-Y78 HydrophobicContact CE2-CE1 4Å; Y61-Y78 HydrophobicContact CE2-CE2 4.3Å; Y61-Y78 AromaticContact CE2-CZ 3.68Å; Y61-Y78 WeakPolarHBondContact CE2-OH 3.31Å; H72-Y78 PolarHBondContact ND1-OH 3.06Å; E76-Y78 HydrophobicContact CB-CE2 3.68Å; E76-Y78 PolarHBondContact OE2-OH 2.8Å; Y78-A86 CarbonylContact O-C 3.53Å; Y78-A86 WeakPolarHBondContact O-CA 3.43Å; Y78-V87 PolarHBondContact N-O 2.81Å; Y78-V87 PolarHBondContact O-N 3.4Å; Y78-Q89 HydrophobicContact CD2-CB 4.5Å; Y78-Q89 HydrophobicContact CE2-CB 4.08Å
79T96.9Very high95.4Very high27 Ų2746.3 Ų46.317%0.16624%0.24CC..EExtended strand (participates in β ladder)trans-136147.3175.960.40000112.8F12 F15 R42 V44 L85 A86F12-T79 HydrophobicContact CD1-CG2 4.34Å; F12-T79 HydrophobicContact CE1-CG2 3.77Å; F15-T79 HydrophobicContact CE1-CG2 4.45Å; R42-T79 PolarHBondContact N-O 3.48Å; R42-T79 PolarHBondContact O-N 3.36Å; V44-T79 HydrophobicContact CB-CG2 4.4Å; V44-T79 HydrophobicContact CG1-CG2 3.85Å; V44-T79 WeakPolarHBondContact CG1-OG1 3.36Å; V44-T79 HydrophobicContact CG2-CG2 3.68Å; T79-L85 CarbonylContact C-O 3.59Å; T79-L85 VanDerWaalsContact CA-O 3.31Å; T79-L85 WeakPolarHBondContact CA-O 3.28Å; T79-A86 HydrophobicContact CG2-CB 4.36Å
80A95.7Very high96.1Very high17 Ų1738 Ų3814%0.1420%0.201CC..EExtended strand (participates in β ladder)trans-118.897.9161.100000107M41 E82 L83 K84 L85M41-A80 HydrophobicContact CE-CB 4.05Å; M41-A80 VanDerWaalsContact CE-N 3.33Å; M41-A80 HydrophobicContact CG-CB 4.28Å; A80-E82 VanDerWaalsContact C-N 3.32Å; A80-E82 PolarHBondContact O-N 3.12Å; A80-L83 HydrophobicContact CB-CB 4.41Å; A80-L83 HydrophobicContact CB-CD1 4.41Å; A80-L83 PolarHBondContact O-N 3.32Å; A80-K84 PolarHBondContact O-N 3.06Å; A80-L85 HydrophobicContact CB-CB 4.44Å; A80-L85 PolarHBondContact N-O 2.79Å; A80-L85 PolarHBondContact O-N 2.94Å; A80-L85 VanDerWaalsContact O-N 3.1Å
81A92.4Very high96.4Very high62 Ų6236.8 Ų36.851%0.51219%0.193SC..G310 helixtrans-62.5-39-171.400000112.5L83 K84A81-L83 PolarHBondContact O-N 3.27Å; A81-K84 PolarHBondContact O-N 2.59Å
82E92.5Very high96.6Very high187 Ų18731.7 Ų31.787%0.87417%0.167SC*.G310 helixtrans-59.2-34.7179-54.5-53.715200112.6A80A80-E82 VanDerWaalsContact C-N 3.32Å; A80-E82 PolarHBondContact O-N 3.12Å
83L94.5Very high96.6Very high83 Ų8334.7 Ų34.744%0.43519%0.188SC..G310 helixtrans-92.4-1.3178.9-60.9177.9000113L39 A80 A81 L85L39-L83 HydrophobicContact CD1-CD1 3.86Å; L39-L83 HydrophobicContact CD2-CD1 3.9Å; L39-L83 HydrophobicContact CG-CD1 4.49Å; A80-L83 HydrophobicContact CB-CB 4.41Å; A80-L83 HydrophobicContact CB-CD1 4.41Å; A80-L83 PolarHBondContact O-N 3.32Å; A81-L83 PolarHBondContact O-N 3.27Å; L83-L85 HydrophobicContact CB-CB 4.05Å; L83-L85 PolarHBondContact O-N 2.82Å
84K96.5Very high96.6Very high131 Ų13134.1 Ų34.157%0.5718%0.183SC*.THydrogen-bonded Turntrans46.145-167.4-62.9-179.2177.7175.90111.4F15 T16 A80 A81F15-K84 CarbonylContact C-O 3.46Å; F15-K84 WeakPolarHBondContact CA-O 3.44Å; F15-K84 VanDerWaalsContact CB-O 3.3Å; F15-K84 WeakPolarHBondContact CB-O 3.28Å; F15-K84 HydrophobicContact CD1-CB 4.47Å; F15-K84 HydrophobicContact CD2-CB 4.11Å; F15-K84 HydrophobicContact CD2-CG 4.48Å; F15-K84 HydrophobicContact CE2-CB 4.32Å; F15-K84 HydrophobicContact CE2-CG 4.31Å; F15-K84 HydrophobicContact CG-CB 4.18Å; F15-K84 WeakPolarHBondContact CG-O 3.46Å; T16-K84 PolarHBondContact N-O 2.83Å; A80-K84 PolarHBondContact O-N 3.06Å; A81-K84 PolarHBondContact O-N 2.59Å
85L98.1Very high96.6Very high3 Ų335.4 Ų35.42%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-111.3128.3-177.8-176.970.7000109.9T16 V18 I35 L39 M41 T79 A80 L83 V87 L231T16-L85 HydrophobicContact CG2-CD1 4.3Å; V18-L85 HydrophobicContact CG2-CD1 3.76Å; I35-L85 HydrophobicContact CG2-CD2 4.01Å; L39-L85 HydrophobicContact CD1-CD2 3.63Å; M41-L85 HydrophobicContact CE-CD2 4.22Å; M41-L85 HydrophobicContact CE-CG 4.25Å; M41-L85 HydrophobicContact SD-CD2 4.46Å; T79-L85 CarbonylContact C-O 3.59Å; T79-L85 VanDerWaalsContact CA-O 3.31Å; T79-L85 WeakPolarHBondContact CA-O 3.28Å; A80-L85 HydrophobicContact CB-CB 4.44Å; A80-L85 PolarHBondContact N-O 2.79Å; A80-L85 PolarHBondContact O-N 2.94Å; A80-L85 VanDerWaalsContact O-N 3.1Å; L83-L85 HydrophobicContact CB-CB 4.05Å; L83-L85 PolarHBondContact O-N 2.82Å; L85-V87 HydrophobicContact CD2-CG2 4.19Å; L85-V87 HydrophobicContact CG-CG2 4.17Å; L85-L231 HydrophobicContact CD1-CD2 4.43Å; L85-L231 HydrophobicContact CD2-CD1 4.3Å; L85-L231 HydrophobicContact CD2-CD2 4.14Å
86A98.3Very high96.3Very high0 Ų043.7 Ų43.70%023%0.226CC..EExtended strand (participates in β ladder)trans-113.8142.116800000108.9F12 F15 T16 L17 V18 Y78 T79 F115F12-A86 HydrophobicContact CD1-CB 4.06Å; F12-A86 HydrophobicContact CE1-CB 4.32Å; F15-A86 HydrophobicContact CB-CB 4.49Å; F15-A86 HydrophobicContact CD1-CB 4.23Å; T16-A86 PolarHBondContact O-N 2.75Å; L17-A86 CarbonylContact C-O 3.54Å; L17-A86 WeakPolarHBondContact CA-O 3.31Å; L17-A86 HydrophobicContact CD1-CB 4.21Å; V18-A86 PolarHBondContact N-O 2.99Å; Y78-A86 CarbonylContact O-C 3.53Å; Y78-A86 WeakPolarHBondContact O-CA 3.43Å; T79-A86 HydrophobicContact CG2-CB 4.36Å; A86-F115 HydrophobicContact CB-CE1 3.66Å; A86-F115 HydrophobicContact CB-CZ 4.39Å
87V98.7Very high96.2Very high0 Ų049.9 Ų49.90%026%0.264CS..EExtended strand (participates in β ladder)trans-130.1119-179.9170.40000108.7V18 V32 I35 V36 M41 V77 Y78 L85V18-V87 HydrophobicContact CB-CG2 4.21Å; V18-V87 VanDerWaalsContact O-CA 3.28Å; V18-V87 WeakPolarHBondContact O-CA 3.12Å; V32-V87 HydrophobicContact CB-CG1 4.34Å; V32-V87 HydrophobicContact CG1-CG1 3.26Å; V32-V87 HydrophobicContact CG2-CG1 4.3Å; I35-V87 HydrophobicContact CG2-CG2 3.98Å; V36-V87 HydrophobicContact CG2-CB 4.25Å; V36-V87 HydrophobicContact CG2-CG1 3.62Å; M41-V87 HydrophobicContact CE-CB 3.86Å; M41-V87 HydrophobicContact CE-CG2 3.59Å; M41-V87 HydrophobicContact SD-CB 4Å; M41-V87 HydrophobicContact SD-CG2 3.62Å; V77-V87 CarbonylContact C-O 3.58Å; V77-V87 WeakPolarHBondContact CA-O 3.26Å; Y78-V87 PolarHBondContact N-O 2.81Å; Y78-V87 PolarHBondContact O-N 3.4Å; L85-V87 HydrophobicContact CD2-CG2 4.19Å; L85-V87 HydrophobicContact CG-CG2 4.17Å
88L98.7Very high96.1Very high0 Ų054 Ų540%028%0.28CS..EExtended strand (participates in β ladder)trans-89.8124.6167.2169.364000107.4L17 V18 M19 P20 F47 A75 E76 V77 I90 L106 W109L17-L88 HydrophobicContact CD1-CB 4.18Å; V18-L88 PolarHBondContact O-N 2.7Å; M19-L88 HydrophobicContact CB-CB 3.89Å; M19-L88 HydrophobicContact CB-CD2 4.24Å; M19-L88 HydrophobicContact CB-CG 4.39Å; M19-L88 HydrophobicContact CE-CD2 3.98Å; M19-L88 HydrophobicContact SD-CD2 4.37Å; P20-L88 WeakPolarHBondContact CD-O 3.42Å; F47-L88 HydrophobicContact CB-CD1 3.84Å; A75-L88 HydrophobicContact CB-CD1 4.34Å; E76-L88 CarbonylContact O-C 3.54Å; E76-L88 WeakPolarHBondContact O-CA 3.23Å; V77-L88 HydrophobicContact CG2-CD1 3.98Å; L88-I90 HydrophobicContact CD1-CG1 4.48Å; L88-I90 HydrophobicContact CD2-CD1 4.27Å; L88-I90 HydrophobicContact CD2-CG1 4.36Å; L88-I90 HydrophobicContact CG-CG1 4.16Å; L88-L106 HydrophobicContact CD2-CD2 3.68Å; L88-W109 HydrophobicContact CB-CH2 4.41Å; L88-W109 HydrophobicContact CB-CZ3 4.44Å; L88-W109 HydrophobicContact CD2-CZ3 4Å
89Q98.4Very high96.1Very high2 Ų255.2 Ų55.21%0.00929%0.289CS..EExtended strand (participates in β ladder)trans-104.1137.4168.9179.857.5-65.700109.3Q29 V32 D33 A75 E76 Y78 R91Q29-Q89 PolarHBondContact O-NE2 3.48Å; V32-Q89 HydrophobicContact CG1-CB 3.96Å; V32-Q89 HydrophobicContact CG1-CG 4.32Å; D33-Q89 PolarHBondContact OD1-NE2 3.01Å; A75-Q89 CarbonylContact C-O 3.52Å; A75-Q89 VanDerWaalsContact CA-O 3.23Å; A75-Q89 WeakPolarHBondContact CA-O 3.47Å; E76-Q89 PolarHBondContact N-O 2.69Å; E76-Q89 PolarHBondContact O-N 2.87Å; Y78-Q89 HydrophobicContact CD2-CB 4.5Å; Y78-Q89 HydrophobicContact CE2-CB 4.08Å; Q89-R91 HydrophobicContact CG-CG 4.26Å
90I97.9Very high96.1Very high2 Ų261.1 Ų61.11%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-121.9123.6175.3-57.2171.7000107.4M19 P20 V22 Q29 L52 P74 A75 L88 A92 F102M19-I90 HydrophobicContact CE-CD1 4.5Å; P20-I90 HydrophobicContact CG-CB 4.3Å; P20-I90 HydrophobicContact CG-CG1 4.4Å; V22-I90 HydrophobicContact CG2-CB 4.39Å; V22-I90 HydrophobicContact CG2-CG2 3.77Å; Q29-I90 WeakPolarHBondContact CG-O 3.32Å; Q29-I90 PolarHBondContact NE2-O 3.47Å; L52-I90 HydrophobicContact CD1-CG2 4.19Å; L52-I90 HydrophobicContact CD2-CG2 4.05Å; P74-I90 CarbonylContact O-C 3.55Å; P74-I90 WeakPolarHBondContact O-CA 3.45Å; A75-I90 HydrophobicContact CB-CG1 4.4Å; L88-I90 HydrophobicContact CD1-CG1 4.48Å; L88-I90 HydrophobicContact CD2-CD1 4.27Å; L88-I90 HydrophobicContact CD2-CG1 4.36Å; L88-I90 HydrophobicContact CG-CG1 4.16Å; I90-A92 WeakPolarHBondContact CG2-O 3.09Å; I90-F102 HydrophobicContact CD1-CE1 4.11Å; I90-F102 HydrophobicContact CD1-CZ 3.84Å
91R95.9Very high96.2Very high62 Ų6264.6 Ų64.623%0.23432%0.324CS..  trans-108.3-21.7-176.5-64.1-66-164.3-179.4-2.1113.9D33 M55 P60 Y61 P74 Q89D33-R91 IonicContact OD1-CZ 3.52Å; D33-R91 IonicContact OD1-NH1 2.75Å; D33-R91 PolarHBondContact OD1-NH1 2.83Å; D33-R91 IonicContact OD1-NH2 3.4Å; D33-R91 PolarHBondContact OD1-NH2 3.04Å; D33-R91 IonicContact OD2-CZ 3.7Å; D33-R91 IonicContact OD2-NH1 2.83Å; D33-R91 PolarHBondContact OD2-NH1 2.93Å; D33-R91 IonicContact OD2-NH2 3.69Å; M55-R91 HydrophobicContact CE-CB 3.29Å; M55-R91 HydrophobicContact CE-CG 3.99Å; P60-R91 VanDerWaalsContact CG-NH2 3.28Å; Y61-R91 PolarHBondContact OH-NH2 3.38Å; P74-R91 PolarHBondContact O-N 3.5Å; Q89-R91 HydrophobicContact CG-CG 4.26Å
92A95.7Very high96.4Very high5 Ų561.6 Ų61.64%0.04130%0.3CS..SBendtrans-109148.7-179.200000111.4L52 I53 M55 P74 I90L52-A92 HydrophobicContact CB-CB 4.48Å; I53-A92 HydrophobicContact CB-CB 4.32Å; I53-A92 WeakPolarHBondContact O-CB 3.36Å; M55-A92 HydrophobicContact CB-CB 4.5Å; P74-A92 HydrophobicContact CB-CB 3.74Å; P74-A92 HydrophobicContact CG-CB 4.37Å; I90-A92 WeakPolarHBondContact CG2-O 3.09Å
93P94.9Very high96.7Very high73 Ų7354.6 Ų54.647%0.47427%0.265SS..  trans-65.8153.9174.828-34000111.5I53I53-P93 HydrophobicContact CB-CG 4.32Å; I53-P93 HydrophobicContact CG1-CG 3.89Å; I53-P93 PolarHBondContact N-O 3.18Å
94I96.3Very high96.8Very high28 Ų2853.6 Ų53.614%0.14426%0.259CS..BIsolated β-bridgetrans-79134.2174.8-56.4160.8000108.5C51 L52 Q96 F102 I187C51-I94 WeakPolarHBondContact O-CA 3.49Å; L52-I94 HydrophobicContact CD2-CB 4.34Å; L52-I94 HydrophobicContact CD2-CG1 3.63Å; I94-Q96 PolarHBondContact O-N 2.87Å; I94-Q96 VanDerWaalsContact O-N 3.15Å; I94-F102 HydrophobicContact CD1-CD1 3.55Å; I94-F102 HydrophobicContact CD1-CE1 3.68Å; I94-F102 HydrophobicContact CG1-CD1 3.87Å; I94-F102 HydrophobicContact CG1-CE1 3.95Å; I94-F102 HydrophobicContact CG2-CB 4.28Å; I94-F102 HydrophobicContact CG2-CD1 4.33Å; I94-F102 HydrophobicContact CG2-CG 4.44Å; I94-I187 HydrophobicContact CD1-CB 4.48Å; I94-I187 HydrophobicContact CD1-CD1 4.1Å; I94-I187 HydrophobicContact CD1-CG1 4.06Å; I94-I187 HydrophobicContact CD1-CG2 3.63Å
95I96.4Very high96.9Very high50 Ų5049.5 Ų49.526%0.25624%0.241SC..  trans-63.1115.4170.5-62.2168.6000107.7C51 I53 T97 R98 S99C51-I95 PolarHBondContact O-N 3.01Å; I53-I95 HydrophobicContact CD1-CD1 4.32Å; I53-I95 HydrophobicContact CD1-CG1 3.67Å; I53-I95 HydrophobicContact CG1-CG1 4.32Å; I95-T97 VanDerWaalsContact C-N 3.28Å; I95-T97 PolarHBondContact O-N 3.27Å; I95-T97 VanDerWaalsContact O-N 3.11Å; I95-R98 HydrophobicContact CB-CB 4.28Å; I95-R98 HydrophobicContact CB-CG 4.31Å; I95-R98 HydrophobicContact CG2-CB 4.49Å; I95-R98 HydrophobicContact CG2-CG 4.08Å; I95-R98 WeakPolarHBondContact O-CA 3.35Å; I95-R98 WeakPolarHBondContact O-CB 3.43Å; I95-R98 PolarHBondContact O-N 2.9Å; I95-S99 PolarHBondContact O-N 3.04Å
96Q90.8Very high96.8Very high176 Ų17649.4 Ų49.482%0.82224%0.241SC*.G310 helixtrans-53.9-39.6-167.2-170.5178700114I94 R98 S99I94-Q96 PolarHBondContact O-N 2.87Å; I94-Q96 VanDerWaalsContact O-N 3.15Å; Q96-R98 PolarHBondContact O-N 3.22Å; Q96-S99 PolarHBondContact O-N 2.89Å; Q96-S99 PolarHBondContact O-OG 2.89Å
97T95.9Very high96.7Very high133 Ų13350.2 Ų50.282%0.81624%0.244SC*.G310 helixtrans-68.8-13.1178.255.40000113.6I95I95-T97 VanDerWaalsContact C-N 3.28Å; I95-T97 PolarHBondContact O-N 3.27Å; I95-T97 VanDerWaalsContact O-N 3.11Å
98R96.8Very high96.7Very high87 Ų8753.6 Ų53.633%0.32827%0.268SS..G310 helixtrans-1100.7-175.7-61.3179.7172.5-116.20.8113.4D50 C51 I95 Q96 K100 K101 F102D50-R98 VanDerWaalsContact O-CD 3.24Å; D50-R98 WeakPolarHBondContact O-CD 3.4Å; D50-R98 PolarHBondContact O-NH1 3.19Å; D50-R98 IonicContact OD1-NH1 2.69Å; D50-R98 PolarHBondContact OD1-NH1 3.46Å; D50-R98 IonicContact OD2-CZ 2.79Å; D50-R98 IonicContact OD2-NH1 2.61Å; D50-R98 PolarHBondContact OD2-NH1 2.96Å; C51-R98 HydrophobicContact CB-CB 4.05Å; I95-R98 HydrophobicContact CB-CB 4.28Å; I95-R98 HydrophobicContact CB-CG 4.31Å; I95-R98 HydrophobicContact CG2-CB 4.49Å; I95-R98 HydrophobicContact CG2-CG 4.08Å; I95-R98 WeakPolarHBondContact O-CA 3.35Å; I95-R98 WeakPolarHBondContact O-CB 3.43Å; I95-R98 PolarHBondContact O-N 2.9Å; Q96-R98 PolarHBondContact O-N 3.22Å; R98-K100 VanDerWaalsContact C-N 3.26Å; R98-K100 PolarHBondContact O-N 2.84Å; R98-K100 VanDerWaalsContact O-N 3.16Å; R98-K101 WeakPolarHBondContact O-CA 3.44Å; R98-K101 WeakPolarHBondContact O-CB 3.45Å; R98-K101 PolarHBondContact O-N 3.33Å; R98-F102 PolarHBondContact O-N 3.37Å
99S95.9Very high96.6Very high32 Ų3254.5 Ų54.522%0.22427%0.272CS..Hα-helixtrans-52.8-39.5-179.7-62.70000113.7I95 Q96 F102 R103I95-S99 PolarHBondContact O-N 3.04Å; Q96-S99 PolarHBondContact O-N 2.89Å; Q96-S99 PolarHBondContact O-OG 2.89Å; S99-F102 PolarHBondContact O-N 3.3Å; S99-R103 WeakPolarHBondContact O-CG 3.41Å; S99-R103 PolarHBondContact O-N 3.49Å
100K97.1Very high96.5Very high150 Ų15054.8 Ų54.865%0.65227%0.273SS*.Hα-helixtrans-63.8-47.2174.6-174.1177.8179.2179.80111.6R98 F102 R103 Q104R98-K100 VanDerWaalsContact C-N 3.26Å; R98-K100 PolarHBondContact O-N 2.84Å; R98-K100 VanDerWaalsContact O-N 3.16Å; K100-F102 VanDerWaalsContact C-N 3.33Å; K100-F102 PolarHBondContact O-N 3.02Å; K100-R103 PolarHBondContact O-N 3.05Å; K100-Q104 WeakPolarHBondContact O-CG 3.21Å; K100-Q104 PolarHBondContact O-N 3.41Å; K100-Q104 VanDerWaalsContact O-N 3.1Å
101K97.9Very high96.3Very high90 Ų9060.7 Ų60.739%0.39130%0.299SS..Hα-helixtrans-59.7-44.8177.7-175.8-177.1179.1-169.30110.9D50 R98 Q104 Q105D50-K101 WeakPolarHBondContact OD1-CE 3.41Å; D50-K101 IonicContact OD1-NZ 2.78Å; D50-K101 PolarHBondContact OD1-NZ 3.38Å; D50-K101 IonicContact OD2-NZ 2.78Å; D50-K101 PolarHBondContact OD2-NZ 3.16Å; R98-K101 WeakPolarHBondContact O-CA 3.44Å; R98-K101 WeakPolarHBondContact O-CB 3.45Å; R98-K101 PolarHBondContact O-N 3.33Å; K101-Q104 PolarHBondContact O-N 2.99Å; K101-Q105 WeakPolarHBondContact O-CG 3.4Å; K101-Q105 PolarHBondContact O-N 2.86Å
102F97.8Very high96.3Very high0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-60.5-46.7178.4-172.4-119.1000112.3F47 T49 C51 L52 I90 I94 R98 S99 K100 Q104 Q105 L106 I187F47-F102 AromaticContact CD1-CE2 3.96Å; F47-F102 HydrophobicContact CD1-CE2 3.96Å; F47-F102 HydrophobicContact CE1-CD2 4.2Å; F47-F102 AromaticContact CE1-CE2 3.62Å; F47-F102 HydrophobicContact CE1-CE2 3.62Å; F47-F102 HydrophobicContact CE1-CZ 4.46Å; T49-F102 HydrophobicContact CG2-CD2 4Å; T49-F102 HydrophobicContact CG2-CE2 3.82Å; C51-F102 HydrophobicContact CB-CB 3.7Å; C51-F102 HydrophobicContact CB-CD2 3.81Å; C51-F102 HydrophobicContact CB-CG 4.06Å; L52-F102 HydrophobicContact CD1-CE2 4.31Å; L52-F102 HydrophobicContact CD1-CZ 4.49Å; L52-F102 HydrophobicContact CD2-CE1 4.47Å; L52-F102 HydrophobicContact CD2-CE2 4.18Å; L52-F102 HydrophobicContact CD2-CZ 4.08Å; L52-F102 HydrophobicContact CG-CE2 4.2Å; L52-F102 HydrophobicContact CG-CZ 4.5Å; I90-F102 HydrophobicContact CD1-CE1 4.11Å; I90-F102 HydrophobicContact CD1-CZ 3.84Å; I94-F102 HydrophobicContact CD1-CD1 3.55Å; I94-F102 HydrophobicContact CD1-CE1 3.68Å; I94-F102 HydrophobicContact CG1-CD1 3.87Å; I94-F102 HydrophobicContact CG1-CE1 3.95Å; I94-F102 HydrophobicContact CG2-CB 4.28Å; I94-F102 HydrophobicContact CG2-CD1 4.33Å; I94-F102 HydrophobicContact CG2-CG 4.44Å; R98-F102 PolarHBondContact O-N 3.37Å; S99-F102 PolarHBondContact O-N 3.3Å; K100-F102 VanDerWaalsContact C-N 3.33Å; K100-F102 PolarHBondContact O-N 3.02Å; F102-Q104 VanDerWaalsContact C-N 3.34Å; F102-Q104 PolarHBondContact O-N 3.4Å; F102-Q105 PolarHBondContact O-N 3.41Å; F102-L106 HydrophobicContact CD1-CD1 3.75Å; F102-L106 HydrophobicContact CD1-CG 4.48Å; F102-L106 HydrophobicContact CE1-CD1 3.38Å; F102-L106 HydrophobicContact CE1-CG 4.15Å; F102-L106 HydrophobicContact CE2-CD1 4.42Å; F102-L106 HydrophobicContact CE2-CG 4.33Å; F102-L106 HydrophobicContact CG-CD1 4.41Å; F102-L106 HydrophobicContact CZ-CD1 3.76Å; F102-L106 HydrophobicContact CZ-CD2 4.26Å; F102-L106 HydrophobicContact CZ-CG 4.06Å; F102-L106 PolarHBondContact O-N 2.66Å; F102-I187 HydrophobicContact CD1-CD1 3.92Å; F102-I187 HydrophobicContact CE1-CD1 4.02Å
103R97.4Very high96.3Very high39 Ų3962.7 Ų62.715%0.14733%0.327CS..Hα-helixtrans-57.4-44.4174.7-73.3-169.1-60.9129.83.2112.6S99 K100 Q105 L106 K107 I187 G190 D194S99-R103 WeakPolarHBondContact O-CG 3.41Å; S99-R103 PolarHBondContact O-N 3.49Å; K100-R103 PolarHBondContact O-N 3.05Å; R103-Q105 VanDerWaalsContact C-N 3.33Å; R103-Q105 PolarHBondContact O-N 2.81Å; R103-L106 PolarHBondContact O-N 3.32Å; R103-K107 WeakPolarHBondContact O-CB 3.4Å; R103-K107 PolarHBondContact O-N 2.96Å; R103-I187 HydrophobicContact CG-CB 3.98Å; R103-I187 HydrophobicContact CG-CD1 4.04Å; R103-I187 HydrophobicContact CG-CG2 4.28Å; R103-G190 PolarHBondContact NH1-O 2.96Å; R103-D194 IonicContact CZ-OD1 3.51Å; R103-D194 IonicContact CZ-OD2 3.56Å; R103-D194 IonicContact NH1-OD1 2.97Å; R103-D194 PolarHBondContact NH1-OD1 3.48Å; R103-D194 IonicContact NH1-OD2 2.59Å; R103-D194 PolarHBondContact NH1-OD2 2.91Å
104Q97.5Very high96.3Very high63 Ų6360 Ų6029%0.29431%0.313SS..Hα-helixtrans-63.9-38.9178.1-64.2-56.6-52.700112K100 K101 F102 S108 D194K100-Q104 WeakPolarHBondContact O-CG 3.21Å; K100-Q104 PolarHBondContact O-N 3.41Å; K100-Q104 VanDerWaalsContact O-N 3.1Å; K101-Q104 PolarHBondContact O-N 2.99Å; F102-Q104 VanDerWaalsContact C-N 3.34Å; F102-Q104 PolarHBondContact O-N 3.4Å; Q104-S108 WeakPolarHBondContact O-CB 3.4Å; Q104-S108 PolarHBondContact O-N 2.89Å; Q104-S108 PolarHBondContact O-OG 3.49Å; Q104-D194 PolarHBondContact NE2-OD2 3.3Å
105Q97.8Very high96.3Very high45 Ų4559.5 Ų59.521%0.2131%0.31CS..Hα-helixtrans-65.6-43.9175.2-71.8178.9-15.900112.2F47 T49 K101 F102 R103 S108 W109F47-Q105 HydrophobicContact CE1-CB 4.49Å; F47-Q105 HydrophobicContact CZ-CB 4.08Å; T49-Q105 PolarHBondContact OG1-OE1 2.93Å; K101-Q105 WeakPolarHBondContact O-CG 3.4Å; K101-Q105 PolarHBondContact O-N 2.86Å; F102-Q105 PolarHBondContact O-N 3.41Å; R103-Q105 VanDerWaalsContact C-N 3.33Å; R103-Q105 PolarHBondContact O-N 2.81Å; Q105-S108 PolarHBondContact O-N 3.46Å; Q105-W109 WeakPolarHBondContact O-CB 3.24Å; Q105-W109 PolarHBondContact O-N 2.9Å
106L97.3Very high96.3Very high0 Ų059.9 Ų59.90%032%0.317CS..Hα-helixtrans-60.9-51.9176.2-78.6169.4000111M19 F47 L88 F102 R103 S108 W109 I110 I187M19-L106 HydrophobicContact CE-CD1 3.8Å; M19-L106 HydrophobicContact CE-CD2 3.96Å; M19-L106 HydrophobicContact CE-CG 4.49Å; F47-L106 HydrophobicContact CE1-CD2 4.07Å; F47-L106 HydrophobicContact CE1-CG 4.37Å; F47-L106 HydrophobicContact CE2-CD2 4.07Å; F47-L106 HydrophobicContact CZ-CD2 3.79Å; F47-L106 HydrophobicContact CZ-CG 4.12Å; L88-L106 HydrophobicContact CD2-CD2 3.68Å; F102-L106 HydrophobicContact CD1-CD1 3.75Å; F102-L106 HydrophobicContact CD1-CG 4.48Å; F102-L106 HydrophobicContact CE1-CD1 3.38Å; F102-L106 HydrophobicContact CE1-CG 4.15Å; F102-L106 HydrophobicContact CE2-CD1 4.42Å; F102-L106 HydrophobicContact CE2-CG 4.33Å; F102-L106 HydrophobicContact CG-CD1 4.41Å; F102-L106 HydrophobicContact CZ-CD1 3.76Å; F102-L106 HydrophobicContact CZ-CD2 4.26Å; F102-L106 HydrophobicContact CZ-CG 4.06Å; F102-L106 PolarHBondContact O-N 2.66Å; R103-L106 PolarHBondContact O-N 3.32Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 3.06Å; L106-W109 HydrophobicContact CD2-CE3 4.44Å; L106-W109 PolarHBondContact O-N 3.16Å; L106-W109 VanDerWaalsContact O-N 3.15Å; L106-I110 VanDerWaalsContact O-CG1 3.29Å; L106-I110 WeakPolarHBondContact O-CG1 3.22Å; L106-I110 PolarHBondContact O-N 3.24Å; L106-I187 HydrophobicContact CD1-CD1 3.88Å
107K96.6Very high96.7Very high17 Ų1755 Ų557%0.07429%0.291CS..Hα-helixtrans-53.6-50.1176.7171.9174.371.21710112.1R103 W109 I110 K111 D194 E198 L200R103-K107 WeakPolarHBondContact O-CB 3.4Å; R103-K107 PolarHBondContact O-N 2.96Å; K107-W109 VanDerWaalsContact C-N 3.27Å; K107-W109 PolarHBondContact O-N 3.4Å; K107-I110 PolarHBondContact O-N 2.95Å; K107-K111 WeakPolarHBondContact O-CB 3.41Å; K107-K111 PolarHBondContact O-N 3.36Å; K107-D194 HydrophobicContact CD-CB 4.39Å; K107-E198 HydrophobicContact CD-CG 4.47Å; K107-E198 VanDerWaalsContact CD-OE1 3.29Å; K107-E198 WeakPolarHBondContact CD-OE1 3.36Å; K107-E198 WeakPolarHBondContact CE-OE1 3.34Å; K107-E198 IonicContact NZ-OE1 2.66Å; K107-E198 PolarHBondContact NZ-OE1 3.09Å; K107-L200 HydrophobicContact CB-CD1 4.4Å; K107-L200 HydrophobicContact CD-CD1 4.08Å; K107-L200 HydrophobicContact CG-CD1 3.65Å
108S96.8Very high96.8Very high72 Ų7248.8 Ų48.850%0.50325%0.253SS..Hα-helixtrans-60.6-40.9-179.4-57.50000111.2Q104 Q105 L106 A112Q104-S108 WeakPolarHBondContact O-CB 3.4Å; Q104-S108 PolarHBondContact O-N 2.89Å; Q104-S108 PolarHBondContact O-OG 3.49Å; Q105-S108 PolarHBondContact O-N 3.46Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 3.06Å; S108-A112 VanDerWaalsContact O-CB 3.24Å; S108-A112 WeakPolarHBondContact O-CB 3.27Å; S108-A112 PolarHBondContact O-N 2.75Å
109W96.8Very high96.9Very high19 Ų1944.7 Ų44.77%0.07224%0.237CC..Hα-helixtrans-67.5-45.2176.8172.656.1000112.7F2 F12 L17 F47 V77 L88 Q105 L106 K107 K111 A112 S113 F115F2-W109 HydrophobicContact CB-CG 4.38Å; F2-W109 HydrophobicContact CD2-CZ2 4.4Å; F2-W109 AromaticContact CG-NE1 3.77Å; F12-W109 HydrophobicContact CE2-CZ2 4.26Å; L17-W109 HydrophobicContact CD1-CH2 4Å; L17-W109 HydrophobicContact CD1-CZ3 4.33Å; L17-W109 HydrophobicContact CD2-CH2 4.13Å; L17-W109 HydrophobicContact CD2-CZ3 3.75Å; F47-W109 AromaticContact CD2-CD2 3.94Å; F47-W109 HydrophobicContact CD2-CD2 3.94Å; F47-W109 AromaticContact CD2-CE3 3.85Å; F47-W109 HydrophobicContact CD2-CE3 3.85Å; F47-W109 HydrophobicContact CD2-CG 4.32Å; F47-W109 HydrophobicContact CD2-CZ3 4.33Å; F47-W109 HydrophobicContact CE2-CB 3.79Å; F47-W109 AromaticContact CE2-CD2 3.76Å; F47-W109 HydrophobicContact CE2-CD2 3.76Å; F47-W109 AromaticContact CE2-CE3 3.68Å; F47-W109 HydrophobicContact CE2-CE3 3.68Å; F47-W109 AromaticContact CE2-CG 3.81Å; F47-W109 HydrophobicContact CE2-CG 3.81Å; V77-W109 HydrophobicContact CG1-CH2 4.42Å; V77-W109 HydrophobicContact CG1-CZ2 4.4Å; V77-W109 HydrophobicContact CG2-CH2 3.95Å; V77-W109 HydrophobicContact CG2-CZ2 4.02Å; L88-W109 HydrophobicContact CB-CH2 4.41Å; L88-W109 HydrophobicContact CB-CZ3 4.44Å; L88-W109 HydrophobicContact CD2-CZ3 4Å; Q105-W109 WeakPolarHBondContact O-CB 3.24Å; Q105-W109 PolarHBondContact O-N 2.9Å; L106-W109 HydrophobicContact CD2-CE3 4.44Å; L106-W109 PolarHBondContact O-N 3.16Å; L106-W109 VanDerWaalsContact O-N 3.15Å; K107-W109 VanDerWaalsContact C-N 3.27Å; K107-W109 PolarHBondContact O-N 3.4Å; W109-K111 VanDerWaalsContact C-N 3.3Å; W109-K111 PolarHBondContact O-N 2.79Å; W109-A112 PolarHBondContact O-N 2.91Å; W109-S113 PolarHBondContact NE1-OG 3.49Å; W109-S113 WeakPolarHBondContact O-CB 3.27Å; W109-S113 PolarHBondContact O-N 3.48Å; W109-S113 PolarHBondContact O-OG 3.29Å; W109-F115 HydrophobicContact CH2-CE2 4.2Å; W109-F115 HydrophobicContact CH2-CZ 4.01Å; W109-F115 HydrophobicContact CZ2-CE2 4.08Å; W109-F115 AromaticContact CZ2-CZ 3.84Å; W109-F115 HydrophobicContact CZ2-CZ 3.84Å; W109-F115 HydrophobicContact CZ3-CE2 4.49Å
110I96.5Very high97Very high7 Ų743.2 Ų43.24%0.03623%0.227CC..Hα-helixtrans-56-48.7177.5-71.1163.6000110.1L17 M19 L106 K107 S113 G114 F115 T118L17-I110 HydrophobicContact CD2-CD1 4.28Å; L17-I110 HydrophobicContact CD2-CG1 3.79Å; M19-I110 HydrophobicContact SD-CD1 4.38Å; L106-I110 VanDerWaalsContact O-CG1 3.29Å; L106-I110 WeakPolarHBondContact O-CG1 3.22Å; L106-I110 PolarHBondContact O-N 3.24Å; K107-I110 PolarHBondContact O-N 2.95Å; I110-S113 PolarHBondContact O-N 3.47Å; I110-G114 PolarHBondContact O-N 3.2Å; I110-F115 HydrophobicContact CB-CD2 4.44Å; I110-F115 HydrophobicContact CG2-CD2 4.24Å; I110-T118 HydrophobicContact CD1-CG2 4.11Å; I110-T118 WeakPolarHBondContact CG2-OG1 3.47Å
111K94.8Very high97.1Very high127 Ų12736 Ų3655%0.55220%0.196SC*.Hα-helixtrans-63.9-46.5179.6-169.2174.5-169169.10112.2K107 W109 S113 G114 E198 L200K107-K111 WeakPolarHBondContact O-CB 3.41Å; K107-K111 PolarHBondContact O-N 3.36Å; W109-K111 VanDerWaalsContact C-N 3.3Å; W109-K111 PolarHBondContact O-N 2.79Å; K111-S113 VanDerWaalsContact C-N 3.26Å; K111-S113 PolarHBondContact O-N 2.75Å; K111-G114 PolarHBondContact O-N 3Å; K111-E198 IonicContact NZ-OE2 3.82Å; K111-E198 PolarHBondContact NZ-OE2 3.18Å; K111-L200 HydrophobicContact CB-CD2 4.32Å
112A95Very high97.1Very high90 Ų9031.8 Ų31.874%0.74418%0.177SC*.Hα-helixtrans-67.6-26.2-179.900000113.3S108 W109S108-A112 VanDerWaalsContact O-CB 3.24Å; S108-A112 WeakPolarHBondContact O-CB 3.27Å; S108-A112 PolarHBondContact O-N 2.75Å; W109-A112 PolarHBondContact O-N 2.91Å
113S95.4Very high97.1Very high19 Ų1931.8 Ų31.813%0.13318%0.178CC..Hα-helixtrans-83.5-15.6-176.6-61.20000113.9F12 W109 I110 K111F12-S113 CarbonylContact C-O 3.42Å; W109-S113 PolarHBondContact NE1-OG 3.49Å; W109-S113 WeakPolarHBondContact O-CB 3.27Å; W109-S113 PolarHBondContact O-N 3.48Å; W109-S113 PolarHBondContact O-OG 3.29Å; I110-S113 PolarHBondContact O-N 3.47Å; K111-S113 VanDerWaalsContact C-N 3.26Å; K111-S113 PolarHBondContact O-N 2.75Å
114G95.1Very high97.1Very high17 Ų1730 Ų3018%0.17517%0.171CC..THydrogen-bonded Turntrans69.831175.900000114.6Q13 G14 I110 K111Q13-G114 WeakPolarHBondContact CA-O 3.41Å; Q13-G114 PolarHBondContact NE2-O 3.37Å; G14-G114 PolarHBondContact N-O 3.46Å; I110-G114 PolarHBondContact O-N 3.2Å; K111-G114 PolarHBondContact O-N 3Å
115F97.3Very high97.1Very high16 Ų1628.3 Ų28.37%0.0716%0.163CC..  trans-57.9140.4173.1-64.2-70.6000110.7F12 F15 L17 A86 W109 I110F12-F115 HydrophobicContact CB-CD1 3.9Å; F12-F115 HydrophobicContact CB-CE1 3.38Å; F12-F115 HydrophobicContact CB-CE2 4.5Å; F12-F115 HydrophobicContact CB-CZ 3.71Å; F12-F115 AromaticContact CD1-CE1 3.93Å; F12-F115 HydrophobicContact CD1-CE1 3.93Å; F12-F115 HydrophobicContact CD1-CZ 4.17Å; F12-F115 HydrophobicContact CD2-CE1 4.44Å; F12-F115 HydrophobicContact CD2-CZ 4.01Å; F12-F115 AromaticContact CG-CE1 3.68Å; F12-F115 HydrophobicContact CG-CE1 3.68Å; F12-F115 AromaticContact CG-CZ 3.7Å; F12-F115 HydrophobicContact CG-CZ 3.7Å; F15-F115 HydrophobicContact CB-CD1 3.96Å; F15-F115 HydrophobicContact CB-CE1 4.29Å; F15-F115 CarbonylContact O-C 3.55Å; F15-F115 VanDerWaalsContact O-CA 3.28Å; F15-F115 WeakPolarHBondContact O-CA 3.39Å; F15-F115 WeakPolarHBondContact O-CB 3.26Å; L17-F115 HydrophobicContact CB-CB 4.47Å; L17-F115 HydrophobicContact CB-CD1 3.7Å; L17-F115 HydrophobicContact CB-CD2 4.1Å; L17-F115 HydrophobicContact CB-CE1 3.83Å; L17-F115 HydrophobicContact CB-CE2 4.23Å; L17-F115 HydrophobicContact CB-CG 3.84Å; L17-F115 HydrophobicContact CB-CZ 4.11Å; L17-F115 HydrophobicContact CD1-CE1 4.32Å; L17-F115 HydrophobicContact CD1-CZ 4.13Å; L17-F115 HydrophobicContact CD2-CD2 4.14Å; L17-F115 HydrophobicContact CD2-CE2 3.84Å; L17-F115 HydrophobicContact CD2-CZ 4.17Å; L17-F115 HydrophobicContact CG-CE2 4.46Å; L17-F115 HydrophobicContact CG-CZ 4.36Å; A86-F115 HydrophobicContact CB-CE1 3.66Å; A86-F115 HydrophobicContact CB-CZ 4.39Å; W109-F115 HydrophobicContact CH2-CE2 4.2Å; W109-F115 HydrophobicContact CH2-CZ 4.01Å; W109-F115 HydrophobicContact CZ2-CE2 4.08Å; W109-F115 AromaticContact CZ2-CZ 3.84Å; W109-F115 HydrophobicContact CZ2-CZ 3.84Å; W109-F115 HydrophobicContact CZ3-CE2 4.49Å; I110-F115 HydrophobicContact CB-CD2 4.44Å; I110-F115 HydrophobicContact CG2-CD2 4.24Å
116S97.1Very high96.9Very high59 Ų5927.3 Ų27.341%0.41316%0.162SC..SBendtrans-69.9-38.4176.556.20000111.8G14 F15 P201G14-S116 WeakPolarHBondContact O-CB 3.41Å; G14-S116 PolarHBondContact O-OG 2.96Å; F15-S116 PolarHBondContact O-N 3.37Å; F15-S116 PolarHBondContact O-OG 2.88Å; S116-P201 WeakPolarHBondContact O-CG 3.08Å
117R97.6Very high96.6Very high74 Ų7434.7 Ų34.728%0.27919%0.191SC..EExtended strand (participates in β ladder)trans-153.1157.3170.973.8-175.191.3-174.45.6110.7T16 L17 L147 P201T16-R117 WeakPolarHBondContact CA-O 3.3Å; T16-R117 HydrophobicContact CG2-CG 3.72Å; L17-R117 PolarHBondContact N-O 3.44Å; R117-L147 HydrophobicContact CB-CD1 4.03Å; R117-L147 HydrophobicContact CB-CD2 4.28Å; R117-P201 CarbonylContact C-O 3.54Å; R117-P201 WeakPolarHBondContact CA-O 3.33Å; R117-P201 HydrophobicContact CB-CB 4.46Å
118T98.4Very high96.3Very high2 Ų239 Ų391%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-118.3129.8172.2-59.10000109.9L17 M19 I110 V120 P201 L202 A203L17-T118 HydrophobicContact CB-CG2 4.27Å; L17-T118 HydrophobicContact CD2-CG2 3.9Å; L17-T118 HydrophobicContact CG-CG2 4.17Å; L17-T118 CarbonylContact O-C 3.53Å; L17-T118 VanDerWaalsContact O-CA 3.31Å; L17-T118 WeakPolarHBondContact O-CA 3.45Å; M19-T118 HydrophobicContact CG-CG2 4.34Å; M19-T118 HydrophobicContact SD-CG2 4.33Å; I110-T118 HydrophobicContact CD1-CG2 4.11Å; I110-T118 WeakPolarHBondContact CG2-OG1 3.47Å; T118-V120 HydrophobicContact CG2-CG2 4.26Å; T118-P201 PolarHBondContact N-O 3.4Å; T118-L202 HydrophobicContact CG2-CD1 4.45Å; T118-L202 CarbonylContact O-C 3.55Å; T118-L202 VanDerWaalsContact O-CA 3.3Å; T118-L202 WeakPolarHBondContact O-CA 3.39Å; T118-A203 PolarHBondContact O-N 3.28Å
119V98.7Very high95.9Very high0 Ų038.1 Ų38.10%020%0.197CC..EExtended strand (participates in β ladder)trans-114.8116.9174.7-1700000109.1T16 L17 V18 M19 L121 A203 L205 L225 W228 L229T16-V119 HydrophobicContact CG2-CG2 4.29Å; L17-V119 PolarHBondContact O-N 3.1Å; V18-V119 WeakPolarHBondContact CA-O 3.33Å; V18-V119 HydrophobicContact CG2-CB 4.37Å; M19-V119 PolarHBondContact N-O 2.89Å; V119-L121 HydrophobicContact CG1-CD2 4.19Å; V119-A203 CarbonylContact C-O 3.55Å; V119-A203 WeakPolarHBondContact CA-O 3.1Å; V119-L205 HydrophobicContact CG1-CD1 4.11Å; V119-L205 HydrophobicContact CG1-CG 3.93Å; V119-L225 HydrophobicContact CB-CD1 4.29Å; V119-L225 HydrophobicContact CG1-CD1 3.67Å; V119-W228 HydrophobicContact CG1-CZ3 4.19Å; V119-W228 HydrophobicContact CG2-CH2 4.38Å; V119-W228 HydrophobicContact CG2-CZ3 3.8Å; V119-L229 HydrophobicContact CG2-CD1 4.45Å
120V98.8Very high95.4Very high1 Ų139 Ų391%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-96.4119.5-179.8-178.50000108.9M19 V21 T118 L191 L202 A203 V204 L205M19-V120 HydrophobicContact CG-CG2 4.13Å; M19-V120 CarbonylContact O-C 3.49Å; M19-V120 WeakPolarHBondContact O-CA 3.36Å; M19-V120 HydrophobicContact SD-CG2 4.48Å; V21-V120 HydrophobicContact CB-CG1 4.5Å; V21-V120 HydrophobicContact CG2-CG1 3.48Å; V21-V120 VanDerWaalsContact CG2-CG1 3.48Å; T118-V120 HydrophobicContact CG2-CG2 4.26Å; V120-L191 HydrophobicContact CG2-CD2 3.94Å; V120-L202 HydrophobicContact CG2-CD1 4.02Å; V120-L202 HydrophobicContact CG2-CD2 4.21Å; V120-L202 HydrophobicContact CG2-CG 4.12Å; V120-A203 PolarHBondContact N-O 2.87Å; V120-V204 HydrophobicContact CB-CG2 4.21Å; V120-V204 CarbonylContact O-C 3.57Å; V120-V204 VanDerWaalsContact O-CA 3.3Å; V120-V204 WeakPolarHBondContact O-CA 3.48Å; V120-L205 PolarHBondContact O-N 3Å
121L98.8Very high95Very high0 Ų044.8 Ų44.80%023%0.234CC..EExtended strand (participates in β ladder)trans-92.4118.8175.3-55.6-170.9000109.5V18 M19 P20 V21 A31 V32 I35 V119 L205 L221 L225V18-L121 HydrophobicContact CG1-CD1 3.83Å; V18-L121 HydrophobicContact CG1-CG 3.95Å; M19-L121 PolarHBondContact O-N 2.9Å; P20-L121 CarbonylContact C-O 3.53Å; P20-L121 WeakPolarHBondContact CA-O 3.4Å; V21-L121 PolarHBondContact N-O 3.19Å; A31-L121 HydrophobicContact CB-CD1 3.8Å; V32-L121 HydrophobicContact CG2-CD1 3.99Å; I35-L121 HydrophobicContact CD1-CD1 4.41Å; V119-L121 HydrophobicContact CG1-CD2 4.19Å; L121-L205 HydrophobicContact CD2-CB 4.08Å; L121-L205 HydrophobicContact CD2-CD1 4.28Å; L121-L205 HydrophobicContact CD2-CG 4.46Å; L121-L221 HydrophobicContact CB-CD2 3.97Å; L121-L221 HydrophobicContact CD2-CG 4.45Å; L121-L225 HydrophobicContact CD1-CD2 4.19Å; L121-L225 HydrophobicContact CD2-CD1 4.3Å; L121-L225 HydrophobicContact CD2-CD2 4.27Å
122S98.4Very high94.6Very high0 Ų044.6 Ų44.60%024%0.236CC..EExtended strand (participates in β ladder)trans-135.1171.9-175.1-170.70000111.2T188 L205 L206 L207S122-T188 WeakPolarHBondContact CB-OG1 3.43Å; S122-T188 WeakPolarHBondContact OG-CB 3.3Å; S122-T188 PolarHBondContact OG-OG1 3.4Å; S122-L205 PolarHBondContact N-O 2.83Å; S122-L206 WeakPolarHBondContact O-CA 3.08Å; S122-L207 PolarHBondContact O-N 3.15Å; S122-L207 VanDerWaalsContact O-N 3.16Å
123S98Very high94.4Very high1 Ų140.5 Ų40.51%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-136.4169.2169.850.20000111.1A23 V24 G185 L207A23-S123 WeakPolarHBondContact CB-OG 3.46Å; V24-S123 WeakPolarHBondContact O-CB 2.82Å; V24-S123 PolarHBondContact O-OG 2.76Å; S123-G185 WeakPolarHBondContact O-CA 3.5Å; S123-L207 CarbonylContact C-O 3.57Å; S123-L207 WeakPolarHBondContact CA-O 3.4Å; S123-L207 WeakPolarHBondContact CB-O 3.48Å
124S97.5Very high94.1Very high0 Ų044.5 Ų44.50%022%0.22CC..EExtended strand (participates in β ladder)trans-145.8154.8174.2-174.30000110.5V24 A126 P183 L207 F208 C209V24-S124 VanDerWaalsContact CG1-C 3.45Å; S124-A126 PolarHBondContact O-N 2.75Å; S124-P183 WeakPolarHBondContact CA-O 3.39Å; S124-P183 VanDerWaalsContact OG-CD 3.23Å; S124-P183 WeakPolarHBondContact OG-CD 3.17Å; S124-P183 WeakPolarHBondContact OG-CG 3.38Å; S124-P183 PolarHBondContact OG-O 2.92Å; S124-L207 PolarHBondContact N-O 2.99Å; S124-F208 CarbonylContact O-C 3.59Å; S124-F208 VanDerWaalsContact O-CA 3.31Å; S124-F208 WeakPolarHBondContact O-CA 3.41Å; S124-C209 PolarHBondContact O-N 2.77Å
125H96.3Very high93.6Very high29 Ų2949.5 Ų49.513%0.13424%0.239CC..EExtended strand (participates in β ladder)trans-61.2121.8-179.8-73.9-55.3000111.9V24 Y127 Q128 P183V24-H125 WeakPolarHBondContact CG2-CE1 3.45Å; V24-H125 VanDerWaalsContact CG2-ND1 3.34Å; V24-H125 WeakPolarHBondContact CG2-ND1 3.34Å; H125-Y127 VanDerWaalsContact C-N 3.34Å; H125-Y127 HydrophobicContact CB-CD1 4Å; H125-Y127 HydrophobicContact CB-CE1 3.62Å; H125-Y127 PolarHBondContact CD2-OH 2.95Å; H125-Y127 AromaticContact CG-CE1 3.48Å; H125-Y127 VanDerWaalsContact CG-CE1 3.48Å; H125-Y127 AromaticContact CG-CZ 3.7Å; H125-Y127 AromaticContact ND1-CE1 3.37Å; H125-Y127 WeakPolarHBondContact ND1-CE1 3.44Å; H125-Y127 AromaticContact ND1-CZ 3.93Å; H125-Y127 PolarHBondContact O-N 2.84Å; H125-Q128 HydrophobicContact CB-CG 4.3Å; H125-Q128 PolarHBondContact O-N 2.8Å; H125-P183 HydrophobicContact CB-CG 4.41Å; H125-P183 PolarHBondContact N-O 3.24Å
126A94Very high93.1Very high24 Ų2451.8 Ų51.820%0.19827%0.267CS..G310 helixtrans-67.8-31.5178.600000113.3S124 Q128 R129 F208 C209S124-A126 PolarHBondContact O-N 2.75Å; A126-Q128 PolarHBondContact O-N 3.2Å; A126-R129 WeakPolarHBondContact O-CB 3.16Å; A126-R129 WeakPolarHBondContact O-CD 3.07Å; A126-R129 VanDerWaalsContact O-CG 3.28Å; A126-R129 WeakPolarHBondContact O-CG 3.21Å; A126-R129 PolarHBondContact O-N 2.59Å; A126-F208 HydrophobicContact CB-CB 4.19Å; A126-C209 PolarHBondContact N-O 3.24Å
127Y91.3Very high92.8Very high155 Ų15551.3 Ų51.361%0.60826%0.262SS*.G310 helixtrans-73.4-6.2-179.967.6-98.5000113.9H125H125-Y127 VanDerWaalsContact C-N 3.34Å; H125-Y127 HydrophobicContact CB-CD1 4Å; H125-Y127 HydrophobicContact CB-CE1 3.62Å; H125-Y127 PolarHBondContact CD2-OH 2.95Å; H125-Y127 AromaticContact CG-CE1 3.48Å; H125-Y127 VanDerWaalsContact CG-CE1 3.48Å; H125-Y127 AromaticContact CG-CZ 3.7Å; H125-Y127 AromaticContact ND1-CE1 3.37Å; H125-Y127 WeakPolarHBondContact ND1-CE1 3.44Å; H125-Y127 AromaticContact ND1-CZ 3.93Å; H125-Y127 PolarHBondContact O-N 2.84Å
128Q89.3Confident92.5Very high106 Ų10649.5 Ų49.550%0.49526%0.261SS..G310 helixtrans-108.417.1174.7-59.3-162.7-16.600112.5H125 A126 P183H125-Q128 HydrophobicContact CB-CG 4.3Å; H125-Q128 PolarHBondContact O-N 2.8Å; A126-Q128 PolarHBondContact O-N 3.2Å; Q128-P183 HydrophobicContact CB-CG 3.87Å; Q128-P183 HydrophobicContact CG-CG 4.43Å
129R89.5Confident92.4Very high54 Ų5449.5 Ų49.520%0.20426%0.26CS..  trans-69.4146.2173.6-72169.181.3179.36.2110.9A126 Q133 L134 F208A126-R129 WeakPolarHBondContact O-CB 3.16Å; A126-R129 WeakPolarHBondContact O-CD 3.07Å; A126-R129 VanDerWaalsContact O-CG 3.28Å; A126-R129 WeakPolarHBondContact O-CG 3.21Å; A126-R129 PolarHBondContact O-N 2.59Å; R129-Q133 HydrophobicContact CG-CB 4.42Å; R129-Q133 VanDerWaalsContact CZ-O 3.3Å; R129-Q133 PolarHBondContact NE-O 2.72Å; R129-Q133 PolarHBondContact NH2-O 3.44Å; R129-L134 HydrophobicContact CB-CD2 4.14Å; R129-L134 HydrophobicContact CB-CG 4.43Å; R129-F208 HydrophobicContact CG-CB 4.2Å; R129-F208 HydrophobicContact CG-CD1 3.53Å; R129-F208 HydrophobicContact CG-CD2 4.04Å; R129-F208 HydrophobicContact CG-CE1 3.82Å; R129-F208 HydrophobicContact CG-CE2 4.29Å; R129-F208 HydrophobicContact CG-CG 3.66Å; R129-F208 HydrophobicContact CG-CZ 4.19Å
130D86.1Confident92.3Very high39 Ų3949.5 Ų49.521%0.20926%0.26CS..  trans-86.4177.1166.16939.1000111.5Q132 Q133 L134 I166D130-Q132 VanDerWaalsContact C-N 3.27Å; D130-Q132 PolarHBondContact O-N 2.86Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.47Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.37Å; D130-Q132 PolarHBondContact OD1-N 2.97Å; D130-Q133 CarbonylContact O-C 3.6Å; D130-Q133 WeakPolarHBondContact O-CA 3.34Å; D130-Q133 PolarHBondContact O-N 3.43Å; D130-Q133 PolarHBondContact OD1-N 2.96Å; D130-L134 WeakPolarHBondContact O-CG 3.25Å; D130-L134 PolarHBondContact O-N 2.85Å; D130-I166 WeakPolarHBondContact OD2-CD1 3.44Å; D130-I166 WeakPolarHBondContact OD2-CG1 3.41Å
131D87.2Confident92.2Very high128 Ų12850.7 Ų50.768%0.68427%0.265SS*.THydrogen-bonded Turntrans-64.5-29.5-177.3-67.3-12.5000113.3L134D131-L134 PolarHBondContact O-N 3.29Å
132Q86.6Confident92.2Very high123 Ų12350.8 Ų50.858%0.57527%0.266SS*.THydrogen-bonded Turntrans-74.6-41.6175.9-53.9-178.52200110.3D130 L134 Q135 R140D130-Q132 VanDerWaalsContact C-N 3.27Å; D130-Q132 PolarHBondContact O-N 2.86Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.47Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.37Å; D130-Q132 PolarHBondContact OD1-N 2.97Å; Q132-L134 VanDerWaalsContact C-N 3.31Å; Q132-L134 PolarHBondContact O-N 3.39Å; Q132-Q135 PolarHBondContact O-N 3.19Å; Q132-R140 PolarHBondContact O-NH2 3.24Å
133Q90.6Very high92.1Very high3 Ų351 Ų511%0.01427%0.266CS..THydrogen-bonded Turntrans-22.5-7115240.384.5-16.200110.8R129 D130 Q135 R140 E164 F208R129-Q133 HydrophobicContact CG-CB 4.42Å; R129-Q133 VanDerWaalsContact CZ-O 3.3Å; R129-Q133 PolarHBondContact NE-O 2.72Å; R129-Q133 PolarHBondContact NH2-O 3.44Å; D130-Q133 CarbonylContact O-C 3.6Å; D130-Q133 WeakPolarHBondContact O-CA 3.34Å; D130-Q133 PolarHBondContact O-N 3.43Å; D130-Q133 PolarHBondContact OD1-N 2.96Å; Q133-Q135 PolarHBondContact O-N 3.43Å; Q133-Q135 VanDerWaalsContact O-N 3.16Å; Q133-R140 PolarHBondContact O-NH2 3.39Å; Q133-E164 VanDerWaalsContact CG-CD 3.47Å; Q133-E164 HydrophobicContact CG-CG 4.48Å; Q133-E164 WeakPolarHBondContact CG-OE2 3.46Å; Q133-F208 HydrophobicContact CB-CD2 4.46Å; Q133-F208 HydrophobicContact CB-CE2 3.69Å; Q133-F208 HydrophobicContact CB-CZ 4.05Å; Q133-F208 HydrophobicContact CG-CE2 3.91Å; Q133-F208 HydrophobicContact CG-CZ 3.84Å
134L88.9Confident92.1Very high104 Ų10451 Ų5155%0.54527%0.266SS..THydrogen-bonded Turntrans-67.8-14.2-167.4-64172.9000115.3R129 D130 D131 Q132R129-L134 HydrophobicContact CB-CD2 4.14Å; R129-L134 HydrophobicContact CB-CG 4.43Å; D130-L134 WeakPolarHBondContact O-CG 3.25Å; D130-L134 PolarHBondContact O-N 2.85Å; D131-L134 PolarHBondContact O-N 3.29Å; Q132-L134 VanDerWaalsContact C-N 3.31Å; Q132-L134 PolarHBondContact O-N 3.39Å
135Q86.4Confident92Very high122 Ų12254.7 Ų54.757%0.5729%0.29SS*.SBendtrans-86.7127.9-178.8-63179.37.600112.1Q132 Q133 R161Q132-Q135 PolarHBondContact O-N 3.19Å; Q133-Q135 PolarHBondContact O-N 3.43Å; Q133-Q135 VanDerWaalsContact O-N 3.16Å; Q135-R161 PolarHBondContact O-NH1 3.23Å
136G86.1Confident91.9Very high64 Ų6455.2 Ų55.266%0.6630%0.298SS*.SBendtrans77-147.7175.600000113.4
137T89.6Confident91.9Very high49 Ų4954.6 Ų54.630%0.30129%0.291SS..  trans-64.4148.2-179.6178.90000112.2L139 R140T137-L139 HydrophobicContact CG2-CB 4.29Å; T137-L139 PolarHBondContact OG1-N 3.48Å; T137-L139 VanDerWaalsContact OG1-N 3.11Å; T137-R140 PolarHBondContact O-NH1 3.1Å
138S91.3Very high92.2Very high36 Ų3649.9 Ų49.925%0.25228%0.276SS..SBendtrans-77.3-6.217155.60000113.3F208S138-F208 VanDerWaalsContact O-CD2 3.25Å; S138-F208 WeakPolarHBondContact O-CD2 3.36Å; S138-F208 PolarHBondContact O-N 3.08Å; S138-F208 VanDerWaalsContact O-N 3.14Å
139L96.3Very high92.4Very high1 Ų148.9 Ų48.91%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-75.9137.2174.3-171.980000111T137 W160 L205 L206 L207 L221 H224T137-L139 HydrophobicContact CG2-CB 4.29Å; T137-L139 PolarHBondContact OG1-N 3.48Å; T137-L139 VanDerWaalsContact OG1-N 3.11Å; L139-W160 HydrophobicContact CD2-CD2 3.58Å; L139-W160 VanDerWaalsContact CD2-CE2 3.44Å; L139-W160 HydrophobicContact CD2-CE3 4.22Å; L139-W160 HydrophobicContact CD2-CG 3.81Å; L139-W160 HydrophobicContact CD2-CZ2 3.97Å; L139-L205 HydrophobicContact CD1-CB 4.41Å; L139-L206 CarbonylContact C-O 3.59Å; L139-L206 WeakPolarHBondContact CA-O 3.29Å; L139-L207 HydrophobicContact CB-CD1 4.44Å; L139-L207 HydrophobicContact CD1-CD1 4.37Å; L139-L221 HydrophobicContact CD1-CD1 3.81Å; L139-H224 HydrophobicContact CD1-CB 4.3Å; L139-H224 HydrophobicContact CD2-CB 3.83Å
140R96.9Very high92.6Very high0 Ų050.2 Ų50.20%031%0.308CS..EExtended strand (participates in β ladder)trans-130.2152.3163.8-67.8-63.2-177.5-84.74.7110.3Q132 Q133 T137 R161 M163 E164 L206 F208Q132-R140 PolarHBondContact O-NH2 3.24Å; Q133-R140 PolarHBondContact O-NH2 3.39Å; T137-R140 PolarHBondContact O-NH1 3.1Å; R140-R161 WeakPolarHBondContact CA-O 3.14Å; R140-R161 VanDerWaalsContact CD-O 3.29Å; R140-R161 WeakPolarHBondContact CD-O 3.43Å; R140-M163 HydrophobicContact CB-CB 4.05Å; R140-M163 HydrophobicContact CB-SD 3.91Å; R140-M163 HydrophobicContact CG-SD 3.89Å; R140-E164 IonicContact CZ-OE1 3.28Å; R140-E164 VanDerWaalsContact CZ-OE1 3.28Å; R140-E164 IonicContact CZ-OE2 3.95Å; R140-E164 VanDerWaalsContact NE-CD 3.28Å; R140-E164 IonicContact NE-OE1 2.83Å; R140-E164 PolarHBondContact NE-OE1 3.19Å; R140-E164 IonicContact NE-OE2 2.96Å; R140-E164 PolarHBondContact NE-OE2 3.42Å; R140-E164 IonicContact NH2-OE1 2.85Å; R140-E164 PolarHBondContact NH2-OE1 3.45Å; R140-L206 PolarHBondContact N-O 3.28Å; R140-L206 PolarHBondContact O-N 3.21Å; R140-F208 HydrophobicContact CG-CE2 3.71Å; R140-F208 HydrophobicContact CG-CZ 4.35Å
141Y97.8Very high93Very high27 Ų2748.8 Ų48.811%0.10630%0.301CS..EExtended strand (participates in β ladder)trans-117.9156.6171.178.8-88.8000112.1M143 L148 L155 W160 R161 E162 M163 V204Y141-M143 HydrophobicContact CD2-CB 4.24Å; Y141-M143 HydrophobicContact CE2-CB 4.37Å; Y141-L148 HydrophobicContact CE2-CD1 4.34Å; Y141-L155 HydrophobicContact CD1-CD2 4.29Å; Y141-L155 HydrophobicContact CD2-CD1 4.1Å; Y141-L155 HydrophobicContact CD2-CD2 4.39Å; Y141-L155 HydrophobicContact CE1-CD1 4.24Å; Y141-L155 HydrophobicContact CE1-CD2 4.31Å; Y141-L155 HydrophobicContact CE2-CD1 3.47Å; Y141-L155 VanDerWaalsContact CE2-CD1 3.47Å; Y141-L155 HydrophobicContact CE2-CD2 4.44Å; Y141-L155 HydrophobicContact CG-CD2 4.33Å; Y141-W160 HydrophobicContact CD1-CB 3.78Å; Y141-W160 HydrophobicContact CE1-CB 4.14Å; Y141-R161 VanDerWaalsContact CD1-C 3.46Å; Y141-R161 VanDerWaalsContact CD1-O 3.23Å; Y141-R161 WeakPolarHBondContact CD1-O 3.38Å; Y141-R161 VanDerWaalsContact CE1-C 3.45Å; Y141-R161 PolarHBondContact N-O 2.95Å; Y141-E162 HydrophobicContact CE1-CB 3.97Å; Y141-E162 VanDerWaalsContact CE1-N 3.27Å; Y141-E162 HydrophobicContact CE2-CB 4.19Å; Y141-E162 HydrophobicContact CE2-CG 4.14Å; Y141-E162 CarbonylContact O-C 3.45Å; Y141-E162 WeakPolarHBondContact O-CA 3.35Å; Y141-M163 PolarHBondContact O-N 3.41Å; Y141-V204 CarbonylContact C-O 3.55Å; Y141-V204 WeakPolarHBondContact CA-O 3.36Å
142L97.9Very high93.2Very high2 Ų244.9 Ų44.91%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-129.5143.4161.2-69.7160.9000107.5M163 L180 I182 Y192 A203 V204L142-M163 HydrophobicContact CD1-CB 4.36Å; L142-M163 HydrophobicContact CD2-CB 3.71Å; L142-M163 HydrophobicContact CG-CB 3.77Å; L142-L180 HydrophobicContact CD1-CD1 4.04Å; L142-L180 HydrophobicContact CD1-CD2 3.72Å; L142-L180 HydrophobicContact CD1-CG 4.48Å; L142-L180 HydrophobicContact CD2-CD1 4Å; L142-L180 HydrophobicContact CD2-CD2 4.18Å; L142-I182 HydrophobicContact CD1-CD1 3.82Å; L142-Y192 HydrophobicContact CB-CD1 4.41Å; L142-Y192 HydrophobicContact CB-CD2 3.82Å; L142-Y192 HydrophobicContact CB-CE1 4.27Å; L142-Y192 HydrophobicContact CB-CE2 3.68Å; L142-Y192 HydrophobicContact CB-CG 4.19Å; L142-Y192 HydrophobicContact CD1-CD1 4.03Å; L142-Y192 HydrophobicContact CD1-CE1 4.37Å; L142-Y192 HydrophobicContact CD1-CG 4.14Å; L142-Y192 HydrophobicContact CD2-CD1 4.39Å; L142-Y192 HydrophobicContact CD2-CE1 3.9Å; L142-Y192 HydrophobicContact CG-CE1 4.43Å; L142-A203 CarbonylContact O-C 3.57Å; L142-A203 WeakPolarHBondContact O-CA 3.38Å; L142-V204 HydrophobicContact CB-CB 4.06Å; L142-V204 HydrophobicContact CB-CG2 4.24Å; L142-V204 PolarHBondContact N-O 2.97Å; L142-V204 PolarHBondContact O-N 3.42Å
143M97.3Very high93.4Very high4 Ų445.2 Ų45.22%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-141.5144.5178.6-154.4138.97400111.4Y141 L147 L148 L155 Y192 A203 W228Y141-M143 HydrophobicContact CD2-CB 4.24Å; Y141-M143 HydrophobicContact CE2-CB 4.37Å; M143-L147 HydrophobicContact CE-CG 4.43Å; M143-L147 HydrophobicContact CG-CB 3.77Å; M143-L147 HydrophobicContact CG-CD2 3.81Å; M143-L147 HydrophobicContact CG-CG 3.76Å; M143-L147 HydrophobicContact SD-CB 4.31Å; M143-L147 HydrophobicContact SD-CD2 3.72Å; M143-L147 HydrophobicContact SD-CG 3.65Å; M143-L148 HydrophobicContact CB-CB 4.25Å; M143-L148 HydrophobicContact CB-CD1 4.45Å; M143-L148 VanDerWaalsContact CE-CA 3.47Å; M143-L148 HydrophobicContact CE-CB 4.24Å; M143-L148 HydrophobicContact CE-CD1 3.86Å; M143-L148 HydrophobicContact CG-CB 4.38Å; M143-L155 HydrophobicContact CE-CD1 3.25Å; M143-L155 HydrophobicContact CE-CG 4.04Å; M143-Y192 WeakPolarHBondContact O-CE2 3.4Å; M143-Y192 PolarHBondContact O-OH 3.24Å; M143-A203 HydrophobicContact CG-CB 4.12Å; M143-A203 HydrophobicContact SD-CB 3.7Å; M143-W228 HydrophobicContact SD-CH2 3.97Å; M143-W228 HydrophobicContact SD-CZ2 4.3Å
144T97.4Very high93.5Very high0 Ų046.5 Ų46.50%030%0.304CS..  trans-72.6155.6175.354.80000110.5S146 L147 L148 Y192 L200 L202T144-S146 PolarHBondContact O-N 3.43Å; T144-L147 PolarHBondContact O-N 2.83Å; T144-L148 WeakPolarHBondContact O-CB 3.19Å; T144-L148 PolarHBondContact O-N 3.07Å; T144-Y192 HydrophobicContact CG2-CE2 4.38Å; T144-L200 WeakPolarHBondContact CB-O 3.16Å; T144-L200 VanDerWaalsContact CG2-O 3.23Å; T144-L200 WeakPolarHBondContact CG2-O 3.42Å; T144-L200 PolarHBondContact OG1-O 3.28Å; T144-L202 HydrophobicContact CG2-CB 3.89Å; T144-L202 PolarHBondContact N-O 2.73Å; T144-L202 PolarHBondContact OG1-N 2.86Å; T144-L202 PolarHBondContact OG1-O 3.31Å
145P95.7Very high93.7Very high78 Ų7842 Ų4251%0.50628%0.28SS..Hα-helixtrans-55.4-46.9-171.1-27.936.3000114.2L148 A149P145-L148 PolarHBondContact O-N 3.03Å; P145-A149 PolarHBondContact O-N 3.42Å
146S93Very high93.9Very high41 Ų4144.5 Ų44.529%0.28729%0.289SS..Hα-helixtrans-60-47.1178.149.30000113.1T144 A149 A150 D199T144-S146 PolarHBondContact O-N 3.43Å; S146-A149 PolarHBondContact O-N 2.89Å; S146-A150 PolarHBondContact O-N 2.59Å; S146-D199 WeakPolarHBondContact CB-OD1 3.48Å; S146-D199 WeakPolarHBondContact CB-OD2 3.28Å; S146-D199 PolarHBondContact N-OD1 2.62Å; S146-D199 VanDerWaalsContact N-OD1 3.12Å; S146-D199 VanDerWaalsContact OG-CG 3.3Å; S146-D199 PolarHBondContact OG-OD1 2.8Å
147L95.8Very high94.3Very high11 Ų1149.6 Ų49.66%0.05830%0.296CS..Hα-helixtrans-71.2-33.3-179.2-172.762.7000111.8R117 M143 T144 A150 S151 P201 A203 W228R117-L147 HydrophobicContact CB-CD1 4.03Å; R117-L147 HydrophobicContact CB-CD2 4.28Å; M143-L147 HydrophobicContact CE-CG 4.43Å; M143-L147 HydrophobicContact CG-CB 3.77Å; M143-L147 HydrophobicContact CG-CD2 3.81Å; M143-L147 HydrophobicContact CG-CG 3.76Å; M143-L147 HydrophobicContact SD-CB 4.31Å; M143-L147 HydrophobicContact SD-CD2 3.72Å; M143-L147 HydrophobicContact SD-CG 3.65Å; T144-L147 PolarHBondContact O-N 2.83Å; L147-A150 PolarHBondContact O-N 2.98Å; L147-S151 WeakPolarHBondContact O-CB 3.41Å; L147-S151 PolarHBondContact O-N 3.32Å; L147-S151 PolarHBondContact O-OG 3.13Å; L147-P201 HydrophobicContact CB-CB 4.42Å; L147-A203 HydrophobicContact CD2-CB 3.86Å; L147-W228 HydrophobicContact CD2-CH2 4.46Å
148L95.9Very high94.5Very high56 Ų5649.5 Ų49.529%0.29329%0.293SS..Hα-helixtrans-60.4-49.3173.9-175.860.7000111.5Y141 M143 T144 P145 A150 S151 A152 L155Y141-L148 HydrophobicContact CE2-CD1 4.34Å; M143-L148 HydrophobicContact CB-CB 4.25Å; M143-L148 HydrophobicContact CB-CD1 4.45Å; M143-L148 VanDerWaalsContact CE-CA 3.47Å; M143-L148 HydrophobicContact CE-CB 4.24Å; M143-L148 HydrophobicContact CE-CD1 3.86Å; M143-L148 HydrophobicContact CG-CB 4.38Å; T144-L148 WeakPolarHBondContact O-CB 3.19Å; T144-L148 PolarHBondContact O-N 3.07Å; P145-L148 PolarHBondContact O-N 3.03Å; L148-A150 PolarHBondContact O-N 3.47Å; L148-S151 PolarHBondContact O-N 3.11Å; L148-S151 VanDerWaalsContact O-N 3.16Å; L148-A152 PolarHBondContact O-N 2.96Å; L148-L155 HydrophobicContact CD1-CD1 3.75Å
149A94.3Very high94.6Very high84 Ų8450.3 Ų50.369%0.69431%0.307SS*.Hα-helixtrans-58.4-36.8176.400000112.2P145 S146P145-A149 PolarHBondContact O-N 3.42Å; S146-A149 PolarHBondContact O-N 2.89Å
150A93.9Very high94.5Very high83 Ų8351.3 Ų51.369%0.68631%0.311SS*.Hα-helixtrans-79.4-17.4-18000000114.8S146 L147 L148S146-A150 PolarHBondContact O-N 2.59Å; L147-A150 PolarHBondContact O-N 2.98Å; L148-A150 PolarHBondContact O-N 3.47Å
151S93.7Very high94.4Very high8 Ų856.5 Ų56.56%0.05633%0.331CS..Hα-helixtrans-126.111.5-172.1-36.50000114L147 L148 D153 A154 L155L147-S151 WeakPolarHBondContact O-CB 3.41Å; L147-S151 PolarHBondContact O-N 3.32Å; L147-S151 PolarHBondContact O-OG 3.13Å; L148-S151 PolarHBondContact O-N 3.11Å; L148-S151 VanDerWaalsContact O-N 3.16Å; S151-D153 VanDerWaalsContact C-N 3.34Å; S151-D153 PolarHBondContact O-N 3.48Å; S151-A154 PolarHBondContact O-N 3.38Å; S151-L155 WeakPolarHBondContact O-CG 3.42Å; S151-L155 PolarHBondContact O-N 3.42Å
152A91.1Very high94.3Very high47 Ų4759.1 Ų59.139%0.38834%0.344SS..Hα-helixtrans-58.2-42.9-175.600000113L148 L155 K156L148-A152 PolarHBondContact O-N 2.96Å; A152-L155 PolarHBondContact O-N 3.3Å; A152-K156 PolarHBondContact O-N 2.82Å
153D92.4Very high94.2Very high129 Ų12959.4 Ų59.469%0.6935%0.345SS*.Hα-helixtrans-65.7-45.9179.9-67-32.2000111.4S151 L155 K156 E157S151-D153 VanDerWaalsContact C-N 3.34Å; S151-D153 PolarHBondContact O-N 3.48Å; D153-L155 VanDerWaalsContact C-N 3.33Å; D153-L155 PolarHBondContact O-N 3.3Å; D153-K156 WeakPolarHBondContact O-CB 3.48Å; D153-K156 PolarHBondContact O-N 3.05Å; D153-K156 VanDerWaalsContact O-N 3.13Å; D153-E157 WeakPolarHBondContact O-CG 3.46Å; D153-E157 PolarHBondContact O-N 3.16Å
154A92.4Very high94Very high30 Ų3060.6 Ų60.625%0.24835%0.351CS..Hα-helixtrans-59.4-43176.700000111.9S151 K156 E157 L158S151-A154 PolarHBondContact O-N 3.38Å; A154-K156 VanDerWaalsContact C-N 3.3Å; A154-K156 PolarHBondContact O-N 2.82Å; A154-E157 PolarHBondContact O-N 2.6Å; A154-L158 WeakPolarHBondContact O-CB 3.42Å; A154-L158 WeakPolarHBondContact O-CD1 3.48Å; A154-L158 WeakPolarHBondContact O-CG 3.39Å; A154-L158 PolarHBondContact O-N 3.49Å
155L91.9Very high93.6Very high9 Ų966.9 Ų66.95%0.04737%0.374CS..Hα-helixtrans-64.2-36.1177.1-71.6176.6000112.8Y141 M143 L148 S151 A152 D153 L158 G159 W160Y141-L155 HydrophobicContact CD1-CD2 4.29Å; Y141-L155 HydrophobicContact CD2-CD1 4.1Å; Y141-L155 HydrophobicContact CD2-CD2 4.39Å; Y141-L155 HydrophobicContact CE1-CD1 4.24Å; Y141-L155 HydrophobicContact CE1-CD2 4.31Å; Y141-L155 HydrophobicContact CE2-CD1 3.47Å; Y141-L155 VanDerWaalsContact CE2-CD1 3.47Å; Y141-L155 HydrophobicContact CE2-CD2 4.44Å; Y141-L155 HydrophobicContact CG-CD2 4.33Å; M143-L155 HydrophobicContact CE-CD1 3.25Å; M143-L155 HydrophobicContact CE-CG 4.04Å; L148-L155 HydrophobicContact CD1-CD1 3.75Å; S151-L155 WeakPolarHBondContact O-CG 3.42Å; S151-L155 PolarHBondContact O-N 3.42Å; A152-L155 PolarHBondContact O-N 3.3Å; D153-L155 VanDerWaalsContact C-N 3.33Å; D153-L155 PolarHBondContact O-N 3.3Å; L155-L158 PolarHBondContact O-N 3.02Å; L155-G159 PolarHBondContact O-N 3.21Å; L155-G159 VanDerWaalsContact O-N 3.11Å; L155-W160 HydrophobicContact CD2-CE3 3.7Å; L155-W160 HydrophobicContact CD2-CZ3 4.27Å; L155-W160 PolarHBondContact O-N 3.28Å
156K91.4Very high93Very high175 Ų17564.9 Ų64.976%0.76136%0.359SS*.Hα-helixtrans-67.1-41.8176.7-173.3-178.5177.6-174.60111.3A152 D153 A154 G159A152-K156 PolarHBondContact O-N 2.82Å; D153-K156 WeakPolarHBondContact O-CB 3.48Å; D153-K156 PolarHBondContact O-N 3.05Å; D153-K156 VanDerWaalsContact O-N 3.13Å; A154-K156 VanDerWaalsContact C-N 3.3Å; A154-K156 PolarHBondContact O-N 2.82Å; K156-G159 PolarHBondContact O-N 3.24Å
157E94.1Very high92.3Very high172 Ų17265.3 Ų65.380%0.80436%0.361SS*.Hα-helixtrans-64.2-40.7175-70.9178.6171.200112.1D153 A154 G159D153-E157 WeakPolarHBondContact O-CG 3.46Å; D153-E157 PolarHBondContact O-N 3.16Å; A154-E157 PolarHBondContact O-N 2.6Å; E157-G159 PolarHBondContact O-N 3.21Å
158L94Very high91.1Very high46 Ų4665.9 Ų65.924%0.24137%0.367CS..Hα-helixtrans-69.9-17.2177-69.7165.8000113.4A154 L155 W160 D227 W228A154-L158 WeakPolarHBondContact O-CB 3.42Å; A154-L158 WeakPolarHBondContact O-CD1 3.48Å; A154-L158 WeakPolarHBondContact O-CG 3.39Å; A154-L158 PolarHBondContact O-N 3.49Å; L155-L158 PolarHBondContact O-N 3.02Å; L158-W160 HydrophobicContact CB-CD2 4.06Å; L158-W160 HydrophobicContact CB-CG 3.98Å; L158-W160 HydrophobicContact CD1-CD2 4.17Å; L158-W160 HydrophobicContact CD1-CE3 4.17Å; L158-W160 HydrophobicContact CD1-CH2 3.99Å; L158-W160 HydrophobicContact CD1-CZ2 3.96Å; L158-W160 HydrophobicContact CD1-CZ3 4.06Å; L158-W160 HydrophobicContact CD2-CZ2 4.29Å; L158-W160 VanDerWaalsContact O-CD1 3.28Å; L158-W160 PolarHBondContact O-N 2.79Å; L158-D227 HydrophobicContact CD2-CB 3.68Å; L158-W228 HydrophobicContact CD1-CB 3.75Å; L158-W228 HydrophobicContact CD1-CG 3.94Å
159G93.5Very high90Very high54 Ų5469.4 Ų69.456%0.55738%0.381SS*.THydrogen-bonded Turntrans6421.8-178.700000113.9L155 K156 E157L155-G159 PolarHBondContact O-N 3.21Å; L155-G159 VanDerWaalsContact O-N 3.11Å; K156-G159 PolarHBondContact O-N 3.24Å; E157-G159 PolarHBondContact O-N 3.21Å
160W94.4Very high88.7Confident22 Ų2270 Ų708%0.08338%0.377CS..PPolyproline II helixtrans-73149.2-179.4-68.8-2.8000111.8L139 Y141 L155 L158 L205 H224 W228L139-W160 HydrophobicContact CD2-CD2 3.58Å; L139-W160 VanDerWaalsContact CD2-CE2 3.44Å; L139-W160 HydrophobicContact CD2-CE3 4.22Å; L139-W160 HydrophobicContact CD2-CG 3.81Å; L139-W160 HydrophobicContact CD2-CZ2 3.97Å; Y141-W160 HydrophobicContact CD1-CB 3.78Å; Y141-W160 HydrophobicContact CE1-CB 4.14Å; L155-W160 HydrophobicContact CD2-CE3 3.7Å; L155-W160 HydrophobicContact CD2-CZ3 4.27Å; L155-W160 PolarHBondContact O-N 3.28Å; L158-W160 HydrophobicContact CB-CD2 4.06Å; L158-W160 HydrophobicContact CB-CG 3.98Å; L158-W160 HydrophobicContact CD1-CD2 4.17Å; L158-W160 HydrophobicContact CD1-CE3 4.17Å; L158-W160 HydrophobicContact CD1-CH2 3.99Å; L158-W160 HydrophobicContact CD1-CZ2 3.96Å; L158-W160 HydrophobicContact CD1-CZ3 4.06Å; L158-W160 HydrophobicContact CD2-CZ2 4.29Å; L158-W160 VanDerWaalsContact O-CD1 3.28Å; L158-W160 PolarHBondContact O-N 2.79Å; W160-L205 HydrophobicContact CE3-CD2 3.96Å; W160-L205 HydrophobicContact CH2-CD1 3.9Å; W160-L205 HydrophobicContact CH2-CD2 4.05Å; W160-L205 HydrophobicContact CZ3-CD1 4.08Å; W160-L205 HydrophobicContact CZ3-CD2 3.38Å; W160-L205 HydrophobicContact CZ3-CG 4.4Å; W160-H224 HydrophobicContact CH2-CB 4.44Å; W160-H224 VanDerWaalsContact CH2-O 3.25Å; W160-H224 WeakPolarHBondContact CH2-O 3.13Å; W160-H224 HydrophobicContact CZ2-CB 3.74Å; W160-H224 WeakPolarHBondContact CZ2-O 3.42Å; W160-H224 AromaticContact NE1-ND1 3.82Å; W160-W228 HydrophobicContact CH2-CB 3.63Å; W160-W228 HydrophobicContact CH2-CE3 4.41Å; W160-W228 HydrophobicContact CH2-CG 4.3Å; W160-W228 HydrophobicContact CZ2-CB 4.38Å; W160-W228 HydrophobicContact CZ3-CB 4.2Å; W160-W228 HydrophobicContact CZ3-CD2 4.33Å; W160-W228 HydrophobicContact CZ3-CE3 4.12Å; W160-W228 HydrophobicContact CZ3-CG 4.4Å
161R94.9Very high87.6Confident109 Ų10970.3 Ų70.341%0.41139%0.389SS..PPolyproline II helixtrans-102.9133.9178.4-64.5-176.8-179.1-168.9-2110.4Q135 R140 Y141Q135-R161 PolarHBondContact O-NH1 3.23Å; R140-R161 WeakPolarHBondContact CA-O 3.14Å; R140-R161 VanDerWaalsContact CD-O 3.29Å; R140-R161 WeakPolarHBondContact CD-O 3.43Å; Y141-R161 VanDerWaalsContact CD1-C 3.46Å; Y141-R161 VanDerWaalsContact CD1-O 3.23Å; Y141-R161 WeakPolarHBondContact CD1-O 3.38Å; Y141-R161 VanDerWaalsContact CE1-C 3.45Å; Y141-R161 PolarHBondContact N-O 2.95Å
162E95.3Very high86.6Confident82 Ų8275.7 Ų75.738%0.38342%0.421SS..BIsolated β-bridgetrans-67.9146172-167.3179.3174.800109.5Y141 E164Y141-E162 HydrophobicContact CE1-CB 3.97Å; Y141-E162 VanDerWaalsContact CE1-N 3.27Å; Y141-E162 HydrophobicContact CE2-CB 4.19Å; Y141-E162 HydrophobicContact CE2-CG 4.14Å; Y141-E162 CarbonylContact O-C 3.45Å; Y141-E162 WeakPolarHBondContact O-CA 3.35Å; E162-E164 PolarHBondContact O-N 3.11Å
163M95.5Very high85.4Confident7 Ų777.3 Ų77.33%0.03442%0.423CS..PPolyproline II helixtrans-62.2121.8176-176.466.9-175.500110.7R140 Y141 L142 L180 C181 F208R140-M163 HydrophobicContact CB-CB 4.05Å; R140-M163 HydrophobicContact CB-SD 3.91Å; R140-M163 HydrophobicContact CG-SD 3.89Å; Y141-M163 PolarHBondContact O-N 3.41Å; L142-M163 HydrophobicContact CD1-CB 4.36Å; L142-M163 HydrophobicContact CD2-CB 3.71Å; L142-M163 HydrophobicContact CG-CB 3.77Å; M163-L180 HydrophobicContact CB-CD1 4.29Å; M163-L180 HydrophobicContact CG-CD1 3.61Å; M163-C181 WeakPolarHBondContact CE-O 3.4Å; M163-F208 HydrophobicContact CE-CE1 4.21Å; M163-F208 HydrophobicContact CE-CZ 3.83Å; M163-F208 HydrophobicContact SD-CZ 3.81Å
164E92.7Very high84.1Confident29 Ų2976.3 Ų76.314%0.13643%0.433CS..PPolyproline II helixtrans-66142.5-176.3-60.285.7162.400111Q133 R140 E162Q133-E164 VanDerWaalsContact CG-CD 3.47Å; Q133-E164 HydrophobicContact CG-CG 4.48Å; Q133-E164 WeakPolarHBondContact CG-OE2 3.46Å; R140-E164 IonicContact CZ-OE1 3.28Å; R140-E164 VanDerWaalsContact CZ-OE1 3.28Å; R140-E164 IonicContact CZ-OE2 3.95Å; R140-E164 VanDerWaalsContact NE-CD 3.28Å; R140-E164 IonicContact NE-OE1 2.83Å; R140-E164 PolarHBondContact NE-OE1 3.19Å; R140-E164 IonicContact NE-OE2 2.96Å; R140-E164 PolarHBondContact NE-OE2 3.42Å; R140-E164 IonicContact NH2-OE1 2.85Å; R140-E164 PolarHBondContact NH2-OE1 3.45Å; E162-E164 PolarHBondContact O-N 3.11Å
165R90.7Very high83Confident132 Ų13282.3 Ų82.350%0.49846%0.46SS..EExtended strand (participates in β ladder)trans-97.1125.4171.3-63.8179.8178.3-116.6-0.1108.4P178R165-P178 HydrophobicContact CB-CB 3.54Å
166I82.9Confident82.1Confident36 Ų3683 Ų8319%0.18547%0.467CS..EExtended strand (participates in β ladder)trans-110.6138.6-170.8-51.6173000108.2D130 R179D130-I166 WeakPolarHBondContact OD2-CD1 3.44Å; D130-I166 WeakPolarHBondContact OD2-CG1 3.41Å; I166-R179 PolarHBondContact N-O 2.75Å; I166-R179 WeakPolarHBondContact O-CG 3.12Å; I166-R179 PolarHBondContact O-N 2.72Å
167P77.9Confident81.4Confident50 Ų5083 Ų8333%0.32547%0.47SS..  trans-60.1151171.225.2-33.8000110.9F169 P170P167-F169 PolarHBondContact O-N 2.8Å; P167-P170 HydrophobicContact CG-CB 4.44Å; P167-P170 HydrophobicContact CG-CG 4.27Å
168A70.1Confident80.9Confident23 Ų2378.3 Ų78.319%0.1945%0.454CS..SBendtrans-52.4-42.817800000113.9R179A168-R179 VanDerWaalsContact CA-CZ 3.45Å
169F73.3Confident80.6Confident131 Ų13181.7 Ų81.758%0.57546%0.464SS*.SBendtrans-141.990.3-174.2-60.3-74.9000107.4P167 G171 V172P167-F169 PolarHBondContact O-N 2.8Å; F169-G171 PolarHBondContact O-N 3.15Å; F169-V172 HydrophobicContact CB-CB 3.85Å; F169-V172 HydrophobicContact CB-CG2 4.1Å; F169-V172 PolarHBondContact O-N 3.04Å; F169-V172 VanDerWaalsContact O-N 3.17Å
170P67.5Low80.6Confident97 Ų9779.7 Ų79.763%0.6344%0.44SS*.THydrogen-bonded Turntrans-53.2124.6178.7-24.733.2000110.8P167 V172P167-P170 HydrophobicContact CG-CB 4.44Å; P167-P170 HydrophobicContact CG-CG 4.27Å; P170-V172 PolarHBondContact O-N 3.29Å
171G70.5Confident80.5Confident89 Ų8980.7 Ų80.792%0.91845%0.45SS*.THydrogen-bonded Turntrans82.3-2.9176.800000116.7F169F169-G171 PolarHBondContact O-N 3.15Å
172V72.3Confident80.5Confident121 Ų12176.3 Ų76.373%0.73344%0.435SS*.THydrogen-bonded Turntrans-100.7-39.3177.8-178.70000111.9F169 P170F169-V172 HydrophobicContact CB-CB 3.85Å; F169-V172 HydrophobicContact CB-CG2 4.1Å; F169-V172 PolarHBondContact O-N 3.04Å; F169-V172 VanDerWaalsContact O-N 3.17Å; P170-V172 PolarHBondContact O-N 3.29Å
173D65.9Low80.5Confident81 Ų8174 Ų7443%0.43343%0.427SS..  trans-136.693.3-176.8-165.8-6.5000108.9D175 A176D173-D175 PolarHBondContact O-N 2.78Å; D173-D175 PolarHBondContact OD1-N 3.12Å; D173-A176 HydrophobicContact CB-CB 3.91Å; D173-A176 PolarHBondContact O-N 2.88Å; D173-A176 PolarHBondContact OD1-N 3.22Å
174A64.9Low80.5Confident108 Ų10875.2 Ų75.289%0.89344%0.441SS*.THydrogen-bonded Turntrans-67.7-20.2-178.800000112.4
175D68.8Low80.7Confident155 Ų15574 Ų7483%0.82944%0.436SS*.THydrogen-bonded Turntrans-94.6-4.2-179-63.6-38.2000112.6D173 E177D173-D175 PolarHBondContact O-N 2.78Å; D173-D175 PolarHBondContact OD1-N 3.12Å; D175-E177 PolarHBondContact O-N 3.4Å
176A73.1Confident80.9Confident23 Ų2370.4 Ų70.419%0.1944%0.441CS..SBendtrans-67.9129.9178.500000111.9D173D173-A176 HydrophobicContact CB-CB 3.91Å; D173-A176 PolarHBondContact O-N 2.88Å; D173-A176 PolarHBondContact OD1-N 3.22Å
177E77.9Confident81.6Confident177 Ų17769.2 Ų69.283%0.82743%0.434SS*.PPolyproline II helixtrans-58.7129177.8-74.3-168.6166.400112D175 R179D175-E177 PolarHBondContact O-N 3.4Å; E177-R179 PolarHBondContact O-N 2.96Å
178P82.6Confident82.6Confident73 Ų7366.9 Ų66.947%0.47442%0.419SS..PPolyproline II helixtrans-59.6125.6176.7-23.132.7000111.6R165R165-P178 HydrophobicContact CB-CB 3.54Å
179R88.2Confident83.9Confident117 Ų11770 Ų7044%0.44243%0.428SS..EExtended strand (participates in β ladder)trans-100.6142.3-179.554.9170.176.6158-2.9110.9I166 A168 E177 C181I166-R179 PolarHBondContact N-O 2.75Å; I166-R179 WeakPolarHBondContact O-CG 3.12Å; I166-R179 PolarHBondContact O-N 2.72Å; A168-R179 VanDerWaalsContact CA-CZ 3.45Å; E177-R179 PolarHBondContact O-N 2.96Å; R179-C181 WeakPolarHBondContact CD-SG 3.43Å; R179-C181 PolarHBondContact O-N 3.23Å
180L92.6Very high85Confident11 Ų1164.6 Ų64.66%0.05841%0.41CS..EExtended strand (participates in β ladder)trans-71.6122.7165.1178.262.2000109.2L142 M163 I182 K189 Y192L142-L180 HydrophobicContact CD1-CD1 4.04Å; L142-L180 HydrophobicContact CD1-CD2 3.72Å; L142-L180 HydrophobicContact CD1-CG 4.48Å; L142-L180 HydrophobicContact CD2-CD1 4Å; L142-L180 HydrophobicContact CD2-CD2 4.18Å; M163-L180 HydrophobicContact CB-CD1 4.29Å; M163-L180 HydrophobicContact CG-CD1 3.61Å; L180-I182 HydrophobicContact CD1-CD1 4.33Å; L180-I182 HydrophobicContact CD1-CG1 4.15Å; L180-I182 HydrophobicContact CD2-CD1 4.21Å; L180-I182 HydrophobicContact CG-CD1 4.27Å; L180-I182 HydrophobicContact CG-CG1 4.21Å; L180-K189 HydrophobicContact CD2-CG 4.26Å; L180-K189 WeakPolarHBondContact O-CD 3.48Å; L180-K189 WeakPolarHBondContact O-CE 3.34Å; L180-K189 PolarHBondContact O-NZ 3.03Å; L180-Y192 HydrophobicContact CD2-CD1 3.66Å; L180-Y192 HydrophobicContact CD2-CE1 4.03Å
181C92.6Very high86.5Confident43 Ų4360.1 Ų60.129%0.29138%0.38SS..  trans-122.6127.4178-73.50000109.6M163 R179M163-C181 WeakPolarHBondContact CE-O 3.4Å; R179-C181 WeakPolarHBondContact CD-SG 3.43Å; R179-C181 PolarHBondContact O-N 3.23Å
182I95.8Very high87.8Confident18 Ų1856.5 Ų56.59%0.09234%0.339CS..  trans-135.575.3178.7-49.6175.4000108.6L142 L180 G184 G185 T188 K189 L206L142-I182 HydrophobicContact CD1-CD1 3.82Å; L180-I182 HydrophobicContact CD1-CD1 4.33Å; L180-I182 HydrophobicContact CD1-CG1 4.15Å; L180-I182 HydrophobicContact CD2-CD1 4.21Å; L180-I182 HydrophobicContact CG-CD1 4.27Å; L180-I182 HydrophobicContact CG-CG1 4.21Å; I182-G184 PolarHBondContact O-N 2.87Å; I182-G185 PolarHBondContact O-N 3.37Å; I182-G185 VanDerWaalsContact O-N 3.08Å; I182-T188 HydrophobicContact CD1-CG2 3.89Å; I182-K189 HydrophobicContact CD1-CB 4.02Å; I182-K189 HydrophobicContact CG1-CB 4.43Å; I182-L206 HydrophobicContact CD1-CD1 4.4Å; I182-L206 HydrophobicContact CG2-CD1 3.32Å
183P94.8Very high89Confident34 Ų3454.2 Ų54.222%0.22133%0.326CS..THydrogen-bonded Turntrans-64.6132.7-177.627.4-36000111.9S124 H125 Q128 G185S124-P183 WeakPolarHBondContact CA-O 3.39Å; S124-P183 VanDerWaalsContact OG-CD 3.23Å; S124-P183 WeakPolarHBondContact OG-CD 3.17Å; S124-P183 WeakPolarHBondContact OG-CG 3.38Å; S124-P183 PolarHBondContact OG-O 2.92Å; H125-P183 HydrophobicContact CB-CG 4.41Å; H125-P183 PolarHBondContact N-O 3.24Å; Q128-P183 HydrophobicContact CB-CG 3.87Å; Q128-P183 HydrophobicContact CG-CG 4.43Å; P183-G185 PolarHBondContact O-N 3.41Å
184G95.6Very high90.5Very high32 Ų3251.5 Ų51.533%0.3331%0.311SS..THydrogen-bonded Turntrans71.82.3-173.800000114.3A23 V24 I182 G186A23-G184 CarbonylContact C-O 3.59Å; A23-G184 VanDerWaalsContact CA-O 3.28Å; A23-G184 WeakPolarHBondContact CA-O 3.34Å; A23-G184 WeakPolarHBondContact CB-O 3.34Å; V24-G184 PolarHBondContact N-O 2.97Å; I182-G184 PolarHBondContact O-N 2.87Å; G184-G186 PolarHBondContact O-N 3.02Å; G184-G186 VanDerWaalsContact O-N 3.15Å
185G96.3Very high92Very high2 Ų246.4 Ų46.42%0.02127%0.269CS..  trans-79.516.3-178.100000115.7S123 I182 P183 I187 T188S123-G185 WeakPolarHBondContact O-CA 3.5Å; I182-G185 PolarHBondContact O-N 3.37Å; I182-G185 VanDerWaalsContact O-N 3.08Å; P183-G185 PolarHBondContact O-N 3.41Å; G185-I187 PolarHBondContact O-N 2.98Å; G185-T188 WeakPolarHBondContact O-CB 3.31Å; G185-T188 PolarHBondContact O-N 3.45Å; G185-T188 PolarHBondContact O-OG1 2.99Å
186G96.1Very high93.4Very high58 Ų5841 Ų4160%0.59824%0.242SC*.THydrogen-bonded Turntrans50.7-123.5178.700000113.7G184G184-G186 PolarHBondContact O-N 3.02Å; G184-G186 VanDerWaalsContact O-N 3.15Å
187I97.4Very high94.5Very high10 Ų1044.1 Ų44.15%0.05127%0.268CS..THydrogen-bonded Turntrans-85-2.1179.760.5158.5000114.5V21 I94 F102 R103 L106 G185 K189 G190 L191V21-I187 HydrophobicContact CB-CG1 4.42Å; V21-I187 HydrophobicContact CG1-CG1 3.67Å; V21-I187 HydrophobicContact CG2-CD1 4.34Å; V21-I187 HydrophobicContact CG2-CG1 3.86Å; I94-I187 HydrophobicContact CD1-CB 4.48Å; I94-I187 HydrophobicContact CD1-CD1 4.1Å; I94-I187 HydrophobicContact CD1-CG1 4.06Å; I94-I187 HydrophobicContact CD1-CG2 3.63Å; F102-I187 HydrophobicContact CD1-CD1 3.92Å; F102-I187 HydrophobicContact CE1-CD1 4.02Å; R103-I187 HydrophobicContact CG-CB 3.98Å; R103-I187 HydrophobicContact CG-CD1 4.04Å; R103-I187 HydrophobicContact CG-CG2 4.28Å; L106-I187 HydrophobicContact CD1-CD1 3.88Å; G185-I187 PolarHBondContact O-N 2.98Å; I187-K189 PolarHBondContact O-N 2.75Å; I187-G190 PolarHBondContact O-N 3.38Å; I187-G190 VanDerWaalsContact O-N 3.12Å; I187-L191 HydrophobicContact CD1-CD2 4.47Å; I187-L191 PolarHBondContact O-N 2.82Å
188T98.1Very high95.3Very high1 Ų139.4 Ų39.41%0.00625%0.246CC..Hα-helixtrans-55.7-53.1-168.2-63.50000113.2V21 S122 I182 G185 G190 L191 Y192 V204V21-T188 WeakPolarHBondContact CB-OG1 3.23Å; V21-T188 WeakPolarHBondContact CG1-OG1 3.39Å; V21-T188 WeakPolarHBondContact CG2-OG1 3.36Å; S122-T188 WeakPolarHBondContact CB-OG1 3.43Å; S122-T188 WeakPolarHBondContact OG-CB 3.3Å; S122-T188 PolarHBondContact OG-OG1 3.4Å; I182-T188 HydrophobicContact CD1-CG2 3.89Å; G185-T188 WeakPolarHBondContact O-CB 3.31Å; G185-T188 PolarHBondContact O-N 3.45Å; G185-T188 PolarHBondContact O-OG1 2.99Å; T188-G190 VanDerWaalsContact C-N 3.27Å; T188-G190 PolarHBondContact O-N 3.38Å; T188-L191 PolarHBondContact O-N 2.83Å; T188-Y192 WeakPolarHBondContact O-CB 3.42Å; T188-Y192 PolarHBondContact O-N 3.14Å; T188-V204 HydrophobicContact CG2-CB 4.42Å; T188-V204 HydrophobicContact CG2-CG1 3.43Å; T188-V204 VanDerWaalsContact CG2-CG1 3.43Å; T188-V204 HydrophobicContact CG2-CG2 4.14Å
189K97.5Very high95.9Very high89 Ų8939.8 Ų39.839%0.38725%0.245SC..Hα-helixtrans-55.6-45178.4175.5178.3174.4171.60111.8L180 I182 I187 T193L180-K189 HydrophobicContact CD2-CG 4.26Å; L180-K189 WeakPolarHBondContact O-CD 3.48Å; L180-K189 WeakPolarHBondContact O-CE 3.34Å; L180-K189 PolarHBondContact O-NZ 3.03Å; I182-K189 HydrophobicContact CD1-CB 4.02Å; I182-K189 HydrophobicContact CG1-CB 4.43Å; I187-K189 PolarHBondContact O-N 2.75Å; K189-T193 WeakPolarHBondContact O-CB 3.44Å; K189-T193 PolarHBondContact O-N 2.67Å; K189-T193 PolarHBondContact O-OG1 3.29Å
190G97.5Very high96.2Very high18 Ų1834.8 Ų34.819%0.18623%0.227CC..Hα-helixtrans-66.5-45.5179.400000111.8R103 I187 T188 Y192 T193 D194R103-G190 PolarHBondContact NH1-O 2.96Å; I187-G190 PolarHBondContact O-N 3.38Å; I187-G190 VanDerWaalsContact O-N 3.12Å; T188-G190 VanDerWaalsContact C-N 3.27Å; T188-G190 PolarHBondContact O-N 3.38Å; G190-Y192 VanDerWaalsContact C-N 3.33Å; G190-Y192 PolarHBondContact O-N 2.82Å; G190-T193 PolarHBondContact O-N 3.04Å; G190-D194 PolarHBondContact O-N 3.42Å
191L97.7Very high96.4Very high2 Ų236.2 Ų36.21%0.0124%0.236CC..Hα-helixtrans-64.5-40.8-178.9-175.261.7000111.1M19 V120 I187 T188 D194 G195 L202M19-L191 HydrophobicContact CE-CD2 4.35Å; M19-L191 HydrophobicContact SD-CD2 4.5Å; V120-L191 HydrophobicContact CG2-CD2 3.94Å; I187-L191 HydrophobicContact CD1-CD2 4.47Å; I187-L191 PolarHBondContact O-N 2.82Å; T188-L191 PolarHBondContact O-N 2.83Å; L191-D194 PolarHBondContact O-N 2.94Å; L191-G195 PolarHBondContact O-N 3.47Å; L191-L202 HydrophobicContact CG-CD1 4.16Å
192Y98.2Very high96.7Very high13 Ų1334.2 Ų34.25%0.05122%0.223CC..Hα-helixtrans-60.8-46.9172.7175.5-111.3000112.1L142 M143 T144 L180 T188 G190 D194 G195 C196 L202 V204L142-Y192 HydrophobicContact CB-CD1 4.41Å; L142-Y192 HydrophobicContact CB-CD2 3.82Å; L142-Y192 HydrophobicContact CB-CE1 4.27Å; L142-Y192 HydrophobicContact CB-CE2 3.68Å; L142-Y192 HydrophobicContact CB-CG 4.19Å; L142-Y192 HydrophobicContact CD1-CD1 4.03Å; L142-Y192 HydrophobicContact CD1-CE1 4.37Å; L142-Y192 HydrophobicContact CD1-CG 4.14Å; L142-Y192 HydrophobicContact CD2-CD1 4.39Å; L142-Y192 HydrophobicContact CD2-CE1 3.9Å; L142-Y192 HydrophobicContact CG-CE1 4.43Å; M143-Y192 WeakPolarHBondContact O-CE2 3.4Å; M143-Y192 PolarHBondContact O-OH 3.24Å; T144-Y192 HydrophobicContact CG2-CE2 4.38Å; L180-Y192 HydrophobicContact CD2-CD1 3.66Å; L180-Y192 HydrophobicContact CD2-CE1 4.03Å; T188-Y192 WeakPolarHBondContact O-CB 3.42Å; T188-Y192 PolarHBondContact O-N 3.14Å; G190-Y192 VanDerWaalsContact C-N 3.33Å; G190-Y192 PolarHBondContact O-N 2.82Å; Y192-D194 PolarHBondContact O-N 3.45Å; Y192-G195 CarbonylContact O-C 3.53Å; Y192-G195 WeakPolarHBondContact O-CA 3.12Å; Y192-G195 PolarHBondContact O-N 3.16Å; Y192-G195 VanDerWaalsContact O-N 3.1Å; Y192-C196 VanDerWaalsContact CE2-SG 3.55Å; Y192-C196 PolarHBondContact O-N 3.44Å; Y192-C196 PolarHBondContact O-SG 3.01Å; Y192-L202 HydrophobicContact CD2-CD2 4.25Å; Y192-V204 HydrophobicContact CD2-CG2 4.32Å
193T97.6Very high96.8Very high73 Ų7333.4 Ų33.445%0.44822%0.219SC..Hα-helixtrans-62.2-44.5178.9-570000111.8K189 G190 G195 C196 A197K189-T193 WeakPolarHBondContact O-CB 3.44Å; K189-T193 PolarHBondContact O-N 2.67Å; K189-T193 PolarHBondContact O-OG1 3.29Å; G190-T193 PolarHBondContact O-N 3.04Å; T193-G195 VanDerWaalsContact C-N 3.27Å; T193-G195 PolarHBondContact O-N 3.09Å; T193-C196 PolarHBondContact O-N 3.09Å; T193-A197 PolarHBondContact O-N 3.44Å
194D97.1Very high97Very high25 Ų2531.9 Ų31.913%0.13421%0.209CC..Hα-helixtrans-62.2-37.4174.4-723000111.2R103 Q104 K107 G190 L191 Y192 A197 E198R103-D194 IonicContact CZ-OD1 3.51Å; R103-D194 IonicContact CZ-OD2 3.56Å; R103-D194 IonicContact NH1-OD1 2.97Å; R103-D194 PolarHBondContact NH1-OD1 3.48Å; R103-D194 IonicContact NH1-OD2 2.59Å; R103-D194 PolarHBondContact NH1-OD2 2.91Å; Q104-D194 PolarHBondContact NE2-OD2 3.3Å; K107-D194 HydrophobicContact CD-CB 4.39Å; G190-D194 PolarHBondContact O-N 3.42Å; L191-D194 PolarHBondContact O-N 2.94Å; Y192-D194 PolarHBondContact O-N 3.45Å; D194-A197 PolarHBondContact O-N 2.98Å; D194-E198 PolarHBondContact O-N 3.23Å
195G97.1Very high97.2Very high0 Ų030.4 Ų30.40%019%0.193CC..Hα-helixtrans-64.4-43.9176.500000112.8L191 Y192 T193 A197 E198 D199 L200L191-G195 PolarHBondContact O-N 3.47Å; Y192-G195 CarbonylContact O-C 3.53Å; Y192-G195 WeakPolarHBondContact O-CA 3.12Å; Y192-G195 PolarHBondContact O-N 3.16Å; Y192-G195 VanDerWaalsContact O-N 3.1Å; T193-G195 VanDerWaalsContact C-N 3.27Å; T193-G195 PolarHBondContact O-N 3.09Å; G195-A197 VanDerWaalsContact C-N 3.35Å; G195-E198 PolarHBondContact O-N 3.33Å; G195-D199 CarbonylContact O-C 3.47Å; G195-D199 VanDerWaalsContact O-CA 3.3Å; G195-D199 WeakPolarHBondContact O-CA 3.33Å; G195-D199 PolarHBondContact O-N 3.44Å; G195-L200 PolarHBondContact O-N 3.12Å
196C97.2Very high97.2Very high41 Ų4130.4 Ų30.428%0.27719%0.193SC..Hα-helixtrans-64-39.6173.8-66.90000112.1Y192 T193 E198 D199Y192-C196 VanDerWaalsContact CE2-SG 3.55Å; Y192-C196 PolarHBondContact O-N 3.44Å; Y192-C196 PolarHBondContact O-SG 3.01Å; T193-C196 PolarHBondContact O-N 3.09Å; C196-E198 VanDerWaalsContact C-N 3.29Å; C196-E198 PolarHBondContact O-N 3.29Å; C196-D199 PolarHBondContact O-N 3.21Å
197A96.9Very high97.3Very high89 Ų8927.7 Ų27.774%0.73617%0.165SC*.Hα-helixtrans-66.7-28.2-17800000113.6T193 D194 G195T193-A197 PolarHBondContact O-N 3.44Å; D194-A197 PolarHBondContact O-N 2.98Å; G195-A197 VanDerWaalsContact C-N 3.35Å
198E94.4Very high97.2Very high78 Ų7827.7 Ų27.736%0.36416%0.164SC..THydrogen-bonded Turntrans-109.27.4176.4-73-164.4-138.800113.7K107 K111 D194 G195 C196 L200K107-E198 HydrophobicContact CD-CG 4.47Å; K107-E198 VanDerWaalsContact CD-OE1 3.29Å; K107-E198 WeakPolarHBondContact CD-OE1 3.36Å; K107-E198 WeakPolarHBondContact CE-OE1 3.34Å; K107-E198 IonicContact NZ-OE1 2.66Å; K107-E198 PolarHBondContact NZ-OE1 3.09Å; K111-E198 IonicContact NZ-OE2 3.82Å; K111-E198 PolarHBondContact NZ-OE2 3.18Å; D194-E198 PolarHBondContact O-N 3.23Å; G195-E198 PolarHBondContact O-N 3.33Å; C196-E198 VanDerWaalsContact C-N 3.29Å; C196-E198 PolarHBondContact O-N 3.29Å; E198-L200 HydrophobicContact CB-CG 4.23Å; E198-L200 PolarHBondContact O-N 2.87Å
199D94.3Very high97.1Very high82 Ų8227.8 Ų27.844%0.43917%0.165SC..THydrogen-bonded Turntrans4645.5-175-162.828.4000113.6S146 G195 C196S146-D199 WeakPolarHBondContact CB-OD1 3.48Å; S146-D199 WeakPolarHBondContact CB-OD2 3.28Å; S146-D199 PolarHBondContact N-OD1 2.62Å; S146-D199 VanDerWaalsContact N-OD1 3.12Å; S146-D199 VanDerWaalsContact OG-CG 3.3Å; S146-D199 PolarHBondContact OG-OD1 2.8Å; G195-D199 CarbonylContact O-C 3.47Å; G195-D199 VanDerWaalsContact O-CA 3.3Å; G195-D199 WeakPolarHBondContact O-CA 3.33Å; G195-D199 PolarHBondContact O-N 3.44Å; C196-D199 PolarHBondContact O-N 3.21Å
200L95.7Very high97Very high12 Ų1226.8 Ų26.86%0.06317%0.169CC..  trans-68.3138.8172.1-60.3171.5000108.7K107 K111 T144 G195 E198 L202K107-L200 HydrophobicContact CB-CD1 4.4Å; K107-L200 HydrophobicContact CD-CD1 4.08Å; K107-L200 HydrophobicContact CG-CD1 3.65Å; K111-L200 HydrophobicContact CB-CD2 4.32Å; T144-L200 WeakPolarHBondContact CB-O 3.16Å; T144-L200 VanDerWaalsContact CG2-O 3.23Å; T144-L200 WeakPolarHBondContact CG2-O 3.42Å; T144-L200 PolarHBondContact OG1-O 3.28Å; G195-L200 PolarHBondContact O-N 3.12Å; E198-L200 HydrophobicContact CB-CG 4.23Å; E198-L200 PolarHBondContact O-N 2.87Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 3.29Å
201P97.1Very high96.7Very high40 Ų4033.1 Ų33.126%0.2619%0.194SC..  trans-71.289.3175.229.1-34000109.4S116 R117 T118 L147S116-P201 WeakPolarHBondContact O-CG 3.08Å; R117-P201 CarbonylContact C-O 3.54Å; R117-P201 WeakPolarHBondContact CA-O 3.33Å; R117-P201 HydrophobicContact CB-CB 4.46Å; T118-P201 PolarHBondContact N-O 3.4Å; L147-P201 HydrophobicContact CB-CB 4.42Å
202L98.3Very high96.4Very high2 Ų236.1 Ų36.11%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-132.6129.2-170.6-175150.1000110.6T118 V120 T144 L191 Y192 L200 V204T118-L202 HydrophobicContact CG2-CD1 4.45Å; T118-L202 CarbonylContact O-C 3.55Å; T118-L202 VanDerWaalsContact O-CA 3.3Å; T118-L202 WeakPolarHBondContact O-CA 3.39Å; V120-L202 HydrophobicContact CG2-CD1 4.02Å; V120-L202 HydrophobicContact CG2-CD2 4.21Å; V120-L202 HydrophobicContact CG2-CG 4.12Å; T144-L202 HydrophobicContact CG2-CB 3.89Å; T144-L202 PolarHBondContact N-O 2.73Å; T144-L202 PolarHBondContact OG1-N 2.86Å; T144-L202 PolarHBondContact OG1-O 3.31Å; L191-L202 HydrophobicContact CG-CD1 4.16Å; Y192-L202 HydrophobicContact CD2-CD2 4.25Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 3.29Å; L202-V204 HydrophobicContact CD2-CG2 3.82Å
203A98.4Very high96.2Very high1 Ų139.5 Ų39.51%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-114.2148.1168.200000109.5T118 V119 V120 L142 M143 L147 W228T118-A203 PolarHBondContact O-N 3.28Å; V119-A203 CarbonylContact C-O 3.55Å; V119-A203 WeakPolarHBondContact CA-O 3.1Å; V120-A203 PolarHBondContact N-O 2.87Å; L142-A203 CarbonylContact O-C 3.57Å; L142-A203 WeakPolarHBondContact O-CA 3.38Å; M143-A203 HydrophobicContact CG-CB 4.12Å; M143-A203 HydrophobicContact SD-CB 3.7Å; L147-A203 HydrophobicContact CD2-CB 3.86Å; A203-W228 HydrophobicContact CB-CH2 3.71Å; A203-W228 HydrophobicContact CB-CZ3 3.82Å
204V98.7Very high96.2Very high1 Ų136.5 Ų36.51%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-115.7126.9166.7-176.70000106.9V120 Y141 L142 T188 Y192 L202 L206V120-V204 HydrophobicContact CB-CG2 4.21Å; V120-V204 CarbonylContact O-C 3.57Å; V120-V204 VanDerWaalsContact O-CA 3.3Å; V120-V204 WeakPolarHBondContact O-CA 3.48Å; Y141-V204 CarbonylContact C-O 3.55Å; Y141-V204 WeakPolarHBondContact CA-O 3.36Å; L142-V204 HydrophobicContact CB-CB 4.06Å; L142-V204 HydrophobicContact CB-CG2 4.24Å; L142-V204 PolarHBondContact N-O 2.97Å; L142-V204 PolarHBondContact O-N 3.42Å; T188-V204 HydrophobicContact CG2-CB 4.42Å; T188-V204 HydrophobicContact CG2-CG1 3.43Å; T188-V204 VanDerWaalsContact CG2-CG1 3.43Å; T188-V204 HydrophobicContact CG2-CG2 4.14Å; Y192-V204 HydrophobicContact CD2-CG2 4.32Å; L202-V204 HydrophobicContact CD2-CG2 3.82Å; V204-L206 HydrophobicContact CG1-CB 4.41Å
205L98.5Very high96.1Very high1 Ų137 Ų371%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-104.5125.6164.4-56.5-172.1000108V119 V120 L121 S122 L139 W160 L221 L225V119-L205 HydrophobicContact CG1-CD1 4.11Å; V119-L205 HydrophobicContact CG1-CG 3.93Å; V120-L205 PolarHBondContact O-N 3Å; L121-L205 HydrophobicContact CD2-CB 4.08Å; L121-L205 HydrophobicContact CD2-CD1 4.28Å; L121-L205 HydrophobicContact CD2-CG 4.46Å; S122-L205 PolarHBondContact N-O 2.83Å; L139-L205 HydrophobicContact CD1-CB 4.41Å; W160-L205 HydrophobicContact CE3-CD2 3.96Å; W160-L205 HydrophobicContact CH2-CD1 3.9Å; W160-L205 HydrophobicContact CH2-CD2 4.05Å; W160-L205 HydrophobicContact CZ3-CD1 4.08Å; W160-L205 HydrophobicContact CZ3-CD2 3.38Å; W160-L205 HydrophobicContact CZ3-CG 4.4Å; L205-L221 HydrophobicContact CB-CD1 3.91Å; L205-L225 HydrophobicContact CD1-CB 4.1Å; L205-L225 HydrophobicContact CD1-CD1 3.75Å
206L97.3Very high96.1Very high3 Ų340.8 Ų40.82%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-129.1128.6-170.5-176140.4000110.8S122 L139 R140 I182 V204 F208S122-L206 WeakPolarHBondContact O-CA 3.08Å; L139-L206 CarbonylContact C-O 3.59Å; L139-L206 WeakPolarHBondContact CA-O 3.29Å; R140-L206 PolarHBondContact N-O 3.28Å; R140-L206 PolarHBondContact O-N 3.21Å; I182-L206 HydrophobicContact CD1-CD1 4.4Å; I182-L206 HydrophobicContact CG2-CD1 3.32Å; V204-L206 HydrophobicContact CG1-CB 4.41Å; L206-F208 HydrophobicContact CD2-CD1 4.49Å; L206-F208 HydrophobicContact CD2-CE1 4.35Å; L206-F208 HydrophobicContact CD2-CZ 4.37Å
207L97.4Very high96.1Very high1 Ų140.7 Ų40.71%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-106.8134.8171.6-153.889.7000110.9S122 S123 S124 L139 D217S122-L207 PolarHBondContact O-N 3.15Å; S122-L207 VanDerWaalsContact O-N 3.16Å; S123-L207 CarbonylContact C-O 3.57Å; S123-L207 WeakPolarHBondContact CA-O 3.4Å; S123-L207 WeakPolarHBondContact CB-O 3.48Å; S124-L207 PolarHBondContact N-O 2.99Å; L139-L207 HydrophobicContact CB-CD1 4.44Å; L139-L207 HydrophobicContact CD1-CD1 4.37Å; L207-D217 HydrophobicContact CD2-CB 3.5Å; L207-D217 WeakPolarHBondContact CD2-OD1 3.34Å
208F97.1Very high96.1Very high9 Ų936.4 Ų36.44%0.03921%0.214CC..EExtended strand (participates in β ladder)trans-75.8123.8165.2-66.8-74.2000110.6S124 A126 R129 Q133 S138 R140 M163 L206S124-F208 CarbonylContact O-C 3.59Å; S124-F208 VanDerWaalsContact O-CA 3.31Å; S124-F208 WeakPolarHBondContact O-CA 3.41Å; A126-F208 HydrophobicContact CB-CB 4.19Å; R129-F208 HydrophobicContact CG-CB 4.2Å; R129-F208 HydrophobicContact CG-CD1 3.53Å; R129-F208 HydrophobicContact CG-CD2 4.04Å; R129-F208 HydrophobicContact CG-CE1 3.82Å; R129-F208 HydrophobicContact CG-CE2 4.29Å; R129-F208 HydrophobicContact CG-CG 3.66Å; R129-F208 HydrophobicContact CG-CZ 4.19Å; Q133-F208 HydrophobicContact CB-CD2 4.46Å; Q133-F208 HydrophobicContact CB-CE2 3.69Å; Q133-F208 HydrophobicContact CB-CZ 4.05Å; Q133-F208 HydrophobicContact CG-CE2 3.91Å; Q133-F208 HydrophobicContact CG-CZ 3.84Å; S138-F208 VanDerWaalsContact O-CD2 3.25Å; S138-F208 WeakPolarHBondContact O-CD2 3.36Å; S138-F208 PolarHBondContact O-N 3.08Å; S138-F208 VanDerWaalsContact O-N 3.14Å; R140-F208 HydrophobicContact CG-CE2 3.71Å; R140-F208 HydrophobicContact CG-CZ 4.35Å; M163-F208 HydrophobicContact CE-CE1 4.21Å; M163-F208 HydrophobicContact CE-CZ 3.83Å; M163-F208 HydrophobicContact SD-CZ 3.81Å; L206-F208 HydrophobicContact CD2-CD1 4.49Å; L206-F208 HydrophobicContact CD2-CE1 4.35Å; L206-F208 HydrophobicContact CD2-CZ 4.37Å
209C96.1Very high96.2Very high4 Ų433.4 Ų33.43%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-140.7164.3178.374.60000112.7V24 V27 S124 A126 D217V24-C209 PolarHBondContact O-SG 2.83Å; V27-C209 HydrophobicContact CG2-CB 4.15Å; V27-C209 VanDerWaalsContact CG2-SG 3.5Å; S124-C209 PolarHBondContact O-N 2.77Å; A126-C209 PolarHBondContact N-O 3.24Å; C209-D217 WeakPolarHBondContact CB-OD2 3.4Å
210S94.6Very high96.3Very high67 Ų6731.2 Ų31.247%0.46919%0.193SC..  trans-102.2159.5167.8-66.40000109.4N214S210-N214 PolarHBondContact O-ND2 3.4Å; S210-N214 PolarHBondContact O-OD1 3.04Å
211E90.6Very high96.4Very high152 Ų15230.6 Ų30.671%0.7119%0.19SC*.SBendtrans-68.2149.4171.5-66.1-165.7172.700111.3V24V24-E211 HydrophobicContact CG2-CG 3.71Å
212G92.3Very high96.5Very high64 Ų6428.7 Ų28.766%0.6618%0.177SC*.SBendtrans141.6-138.8177.600000111.4N214G212-N214 PolarHBondContact N-OD1 3.46Å; G212-N214 PolarHBondContact O-N 2.95Å; G212-N214 PolarHBondContact O-OD1 2.98Å
213D94.1Very high96.3Very high85 Ų8529.9 Ų29.946%0.45518%0.183SC..  trans-78.6100.7170.1-177.86.4000110.1I215 F253D213-I215 VanDerWaalsContact OD1-CB 3.31Å; D213-I215 WeakPolarHBondContact OD1-CB 3.3Å; D213-I215 VanDerWaalsContact OD1-CG1 3.3Å; D213-I215 WeakPolarHBondContact OD1-CG1 3.33Å; D213-I215 PolarHBondContact OD1-N 2.56Å; D213-F253 HydrophobicContact CB-CZ 4.23Å
214N96.4Very high96.2Very high10 Ų1031.7 Ų31.75%0.05319%0.192CC..  trans-101.717.6179.8-64114.4000113G25 V27 L30 S210 G212 D217 A218G25-N214 WeakPolarHBondContact CA-OD1 3.3Å; G25-N214 WeakPolarHBondContact O-CB 3.1Å; G25-N214 PolarHBondContact O-OD1 2.91Å; V27-N214 HydrophobicContact CG2-CB 4.13Å; L30-N214 HydrophobicContact CD1-CB 4.21Å; S210-N214 PolarHBondContact O-ND2 3.4Å; S210-N214 PolarHBondContact O-OD1 3.04Å; G212-N214 PolarHBondContact N-OD1 3.46Å; G212-N214 PolarHBondContact O-N 2.95Å; G212-N214 PolarHBondContact O-OD1 2.98Å; N214-D217 HydrophobicContact CB-CB 4.33Å; N214-D217 PolarHBondContact ND2-OD2 2.92Å; N214-D217 PolarHBondContact O-N 3.38Å; N214-A218 PolarHBondContact O-N 3.01Å
215I95.9Very high96.1Very high35 Ų3531.7 Ų31.718%0.17919%0.192CC..Hα-helixtrans-54.4-50.4170.8-69.9171.7000110.7D213 D217 A218 F219 W249 L252D213-I215 VanDerWaalsContact OD1-CB 3.31Å; D213-I215 WeakPolarHBondContact OD1-CB 3.3Å; D213-I215 VanDerWaalsContact OD1-CG1 3.3Å; D213-I215 WeakPolarHBondContact OD1-CG1 3.33Å; D213-I215 PolarHBondContact OD1-N 2.56Å; I215-D217 VanDerWaalsContact C-N 3.29Å; I215-D217 PolarHBondContact O-N 3.44Å; I215-A218 WeakPolarHBondContact O-CB 3.33Å; I215-A218 PolarHBondContact O-N 3.39Å; I215-A218 VanDerWaalsContact O-N 3.12Å; I215-F219 HydrophobicContact CG2-CD2 3.78Å; I215-F219 HydrophobicContact CG2-CE2 3.71Å; I215-F219 WeakPolarHBondContact O-CD2 3.37Å; I215-F219 PolarHBondContact O-N 3.21Å; I215-F219 VanDerWaalsContact O-N 3.11Å; I215-W249 HydrophobicContact CB-CZ3 4.13Å; I215-W249 HydrophobicContact CD1-CE3 3.92Å; I215-W249 HydrophobicContact CD1-CZ3 4.19Å; I215-W249 HydrophobicContact CG1-CE3 3.8Å; I215-W249 HydrophobicContact CG1-CH2 4.38Å; I215-W249 HydrophobicContact CG1-CZ3 3.61Å; I215-W249 HydrophobicContact CG2-CE3 4.47Å; I215-W249 HydrophobicContact CG2-CZ3 3.78Å; I215-L252 HydrophobicContact CD1-CD2 4.02Å; I215-L252 HydrophobicContact CG1-CD2 4.36Å
216P96Very high96Very high79 Ų7932.3 Ų32.351%0.51320%0.195SC..Hα-helixtrans-60.7-37.7-179.6-23.635.5000113.1A218 F219 A220P216-A218 VanDerWaalsContact C-N 3.33Å; P216-A218 PolarHBondContact O-N 2.93Å; P216-F219 PolarHBondContact O-N 2.96Å; P216-A220 PolarHBondContact O-N 2.8Å
217D97.2Very high95.9Very high39 Ų3935.8 Ų35.821%0.20921%0.214CC..Hα-helixtrans-65.1-37.8177.5-67.7-43.5000111.7V27 L207 C209 N214 I215 A220 L221V27-D217 HydrophobicContact CG1-CB 3.85Å; V27-D217 HydrophobicContact CG2-CB 3.98Å; L207-D217 HydrophobicContact CD2-CB 3.5Å; L207-D217 WeakPolarHBondContact CD2-OD1 3.34Å; C209-D217 WeakPolarHBondContact CB-OD2 3.4Å; N214-D217 HydrophobicContact CB-CB 4.33Å; N214-D217 PolarHBondContact ND2-OD2 2.92Å; N214-D217 PolarHBondContact O-N 3.38Å; I215-D217 VanDerWaalsContact C-N 3.29Å; I215-D217 PolarHBondContact O-N 3.44Å; D217-A220 PolarHBondContact O-N 3.08Å; D217-L221 WeakPolarHBondContact O-CB 3.47Å; D217-L221 PolarHBondContact O-N 3.01Å
218A97.5Very high95.8Very high0 Ų036.7 Ų36.70%022%0.217CC..Hα-helixtrans-64.8-43176.100000111.6L30 L34 N214 I215 P216 L221 V222 W249L30-A218 HydrophobicContact CB-CB 3.43Å; L30-A218 VanDerWaalsContact CB-CB 3.43Å; L30-A218 HydrophobicContact CD1-CB 4.41Å; L34-A218 HydrophobicContact CD1-CB 4.34Å; N214-A218 PolarHBondContact O-N 3.01Å; I215-A218 WeakPolarHBondContact O-CB 3.33Å; I215-A218 PolarHBondContact O-N 3.39Å; I215-A218 VanDerWaalsContact O-N 3.12Å; P216-A218 VanDerWaalsContact C-N 3.33Å; P216-A218 PolarHBondContact O-N 2.93Å; A218-L221 PolarHBondContact O-N 3.31Å; A218-V222 WeakPolarHBondContact O-CG1 3.48Å; A218-V222 PolarHBondContact O-N 3.09Å; A218-W249 HydrophobicContact CB-CH2 4.37Å
219F97.3Very high95.7Very high14 Ų1437.7 Ų37.76%0.06122%0.223CC..Hα-helixtrans-61.2-45.6172.8-86.2-83.6000111.8L34 I215 P216 L221 V222 N223 N240 W243 I245 W249L34-F219 HydrophobicContact CD1-CD1 4.09Å; L34-F219 HydrophobicContact CD1-CD2 4.09Å; L34-F219 HydrophobicContact CD1-CE1 4.26Å; L34-F219 HydrophobicContact CD1-CE2 4.21Å; L34-F219 HydrophobicContact CD1-CG 4.02Å; L34-F219 HydrophobicContact CD1-CZ 4.3Å; L34-F219 HydrophobicContact CD2-CE1 4.34Å; L34-F219 HydrophobicContact CD2-CE2 4.21Å; L34-F219 HydrophobicContact CD2-CZ 3.92Å; I215-F219 HydrophobicContact CG2-CD2 3.78Å; I215-F219 HydrophobicContact CG2-CE2 3.71Å; I215-F219 WeakPolarHBondContact O-CD2 3.37Å; I215-F219 PolarHBondContact O-N 3.21Å; I215-F219 VanDerWaalsContact O-N 3.11Å; P216-F219 PolarHBondContact O-N 2.96Å; F219-L221 PolarHBondContact O-N 3.05Å; F219-V222 WeakPolarHBondContact O-CG1 3.33Å; F219-V222 PolarHBondContact O-N 2.84Å; F219-N223 WeakPolarHBondContact O-CB 3.08Å; F219-N223 VanDerWaalsContact O-CG 3.22Å; F219-N223 PolarHBondContact O-N 3.36Å; F219-N223 PolarHBondContact O-ND2 3.26Å; F219-N240 HydrophobicContact CD1-CB 3.62Å; F219-N240 VanDerWaalsContact CD1-CG 3.44Å; F219-N240 WeakPolarHBondContact CD1-OD1 3.44Å; F219-N240 HydrophobicContact CE1-CB 3.76Å; F219-N240 WeakPolarHBondContact CE1-O 3.11Å; F219-N240 HydrophobicContact CG-CB 4.39Å; F219-W243 HydrophobicContact CD1-CB 4.28Å; F219-W243 AromaticContact CD1-CD1 3.95Å; F219-W243 HydrophobicContact CD1-CG 4.4Å; F219-W243 HydrophobicContact CE1-CB 3.72Å; F219-W243 HydrophobicContact CE1-CG 4.29Å; F219-I245 HydrophobicContact CE2-CD1 4.18Å; F219-I245 HydrophobicContact CE2-CG1 4.17Å; F219-I245 HydrophobicContact CZ-CD1 4Å; F219-I245 HydrophobicContact CZ-CG1 3.77Å; F219-W249 HydrophobicContact CE2-CZ3 4.38Å
220A96.6Very high95.6Very high36 Ų3644.1 Ų44.130%0.29825%0.252SS..Hα-helixtrans-60.2-46.4177.200000111.9P216 D217 N223 H224P216-A220 PolarHBondContact O-N 2.8Å; D217-A220 PolarHBondContact O-N 3.08Å; A220-N223 PolarHBondContact O-N 2.91Å; A220-H224 PolarHBondContact O-CD2 3.49Å; A220-H224 VanDerWaalsContact O-CD2 3.29Å; A220-H224 PolarHBondContact O-N 3.16Å; A220-H224 VanDerWaalsContact O-N 3.09Å
221L97.9Very high95.5Very high0 Ų041.8 Ų41.80%023%0.234CC..Hα-helixtrans-64.9-42.5-179.7-176.559.8000112.3V27 A31 L121 L139 L205 D217 A218 F219 H224 L225V27-L221 HydrophobicContact CG1-CB 4.16Å; V27-L221 HydrophobicContact CG1-CD2 3.81Å; A31-L221 HydrophobicContact CB-CB 4.47Å; A31-L221 HydrophobicContact CB-CD2 4.25Å; A31-L221 HydrophobicContact CB-CG 4.44Å; L121-L221 HydrophobicContact CB-CD2 3.97Å; L121-L221 HydrophobicContact CD2-CG 4.45Å; L139-L221 HydrophobicContact CD1-CD1 3.81Å; L205-L221 HydrophobicContact CB-CD1 3.91Å; D217-L221 WeakPolarHBondContact O-CB 3.47Å; D217-L221 PolarHBondContact O-N 3.01Å; A218-L221 PolarHBondContact O-N 3.31Å; F219-L221 PolarHBondContact O-N 3.05Å; L221-H224 PolarHBondContact O-N 3.09Å; L221-L225 PolarHBondContact O-N 3.12Å
222V97.4Very high95.5Very high0 Ų036 Ų360%021%0.208CC..Hα-helixtrans-72.1-32.9179.177.20000112.3A31 L34 I35 A218 F219 L225 N226 W243A31-V222 HydrophobicContact CB-CB 4.23Å; L34-V222 HydrophobicContact CB-CG1 4.5Å; L34-V222 HydrophobicContact CD1-CG1 3.81Å; I35-V222 HydrophobicContact CD1-CG2 4Å; I35-V222 HydrophobicContact CG1-CG2 3.52Å; A218-V222 WeakPolarHBondContact O-CG1 3.48Å; A218-V222 PolarHBondContact O-N 3.09Å; F219-V222 WeakPolarHBondContact O-CG1 3.33Å; F219-V222 PolarHBondContact O-N 2.84Å; V222-L225 WeakPolarHBondContact O-CB 3.38Å; V222-L225 PolarHBondContact O-N 3.3Å; V222-N226 WeakPolarHBondContact O-CB 3.23Å; V222-N226 PolarHBondContact O-N 3.11Å; V222-W243 HydrophobicContact CB-CZ2 4.38Å; V222-W243 HydrophobicContact CG1-CD2 3.82Å; V222-W243 HydrophobicContact CG1-CE3 4.42Å; V222-W243 HydrophobicContact CG1-CG 4.09Å; V222-W243 HydrophobicContact CG1-CZ2 4.04Å; V222-W243 HydrophobicContact CG2-CD2 4.17Å; V222-W243 HydrophobicContact CG2-CE3 4Å; V222-W243 HydrophobicContact CG2-CH2 3.54Å; V222-W243 HydrophobicContact CG2-CZ2 3.69Å; V222-W243 HydrophobicContact CG2-CZ3 3.69Å
223N95.9Very high94.8Very high26 Ų2640.6 Ų40.614%0.13922%0.217CC..Hα-helixtrans-62.9-46.2173.1-77-36.2000111F219 A220 L225 N226 D227 N240 W243F219-N223 WeakPolarHBondContact O-CB 3.08Å; F219-N223 VanDerWaalsContact O-CG 3.22Å; F219-N223 PolarHBondContact O-N 3.36Å; F219-N223 PolarHBondContact O-ND2 3.26Å; A220-N223 PolarHBondContact O-N 2.91Å; N223-L225 VanDerWaalsContact C-N 3.35Å; N223-L225 PolarHBondContact O-N 3.45Å; N223-N226 CarbonylContact O-C 3.59Å; N223-N226 WeakPolarHBondContact O-CA 3.18Å; N223-N226 WeakPolarHBondContact O-CB 3.48Å; N223-N226 PolarHBondContact O-N 3.02Å; N223-D227 VanDerWaalsContact O-CG 3.26Å; N223-D227 PolarHBondContact O-N 3.39Å; N223-N240 PolarHBondContact ND2-OD1 3.22Å; N223-W243 PolarHBondContact OD1-NE1 2.59Å
224H96Very high93.3Very high40 Ų4039.5 Ų39.519%0.18523%0.226CC..Hα-helixtrans-59.2-44.8173.2-75.2-45.4000112.2L139 W160 A220 L221 N226 D227 W228L139-H224 HydrophobicContact CD1-CB 4.3Å; L139-H224 HydrophobicContact CD2-CB 3.83Å; W160-H224 HydrophobicContact CH2-CB 4.44Å; W160-H224 VanDerWaalsContact CH2-O 3.25Å; W160-H224 WeakPolarHBondContact CH2-O 3.13Å; W160-H224 HydrophobicContact CZ2-CB 3.74Å; W160-H224 WeakPolarHBondContact CZ2-O 3.42Å; W160-H224 AromaticContact NE1-ND1 3.82Å; A220-H224 PolarHBondContact O-CD2 3.49Å; A220-H224 VanDerWaalsContact O-CD2 3.29Å; A220-H224 PolarHBondContact O-N 3.16Å; A220-H224 VanDerWaalsContact O-N 3.09Å; L221-H224 PolarHBondContact O-N 3.09Å; H224-N226 PolarHBondContact O-N 3.34Å; H224-D227 IonicContact ND1-OD2 3.71Å; H224-D227 PolarHBondContact O-N 3.11Å; H224-W228 PolarHBondContact O-N 3.22Å
225L97Very high91.2Very high0 Ų048.6 Ų48.60%027%0.268CS..Hα-helixtrans-56.4-41.1173.9-178.769.4000111.9V18 I35 V119 L121 L205 L221 V222 N223 W228 L229 L231V18-L225 HydrophobicContact CG1-CD2 3.96Å; V18-L225 HydrophobicContact CG2-CD2 4.19Å; I35-L225 HydrophobicContact CD1-CD2 3.54Å; V119-L225 HydrophobicContact CB-CD1 4.29Å; V119-L225 HydrophobicContact CG1-CD1 3.67Å; L121-L225 HydrophobicContact CD1-CD2 4.19Å; L121-L225 HydrophobicContact CD2-CD1 4.3Å; L121-L225 HydrophobicContact CD2-CD2 4.27Å; L205-L225 HydrophobicContact CD1-CB 4.1Å; L205-L225 HydrophobicContact CD1-CD1 3.75Å; L221-L225 PolarHBondContact O-N 3.12Å; V222-L225 WeakPolarHBondContact O-CB 3.38Å; V222-L225 PolarHBondContact O-N 3.3Å; N223-L225 VanDerWaalsContact C-N 3.35Å; N223-L225 PolarHBondContact O-N 3.45Å; L225-W228 PolarHBondContact O-N 3.35Å; L225-L229 HydrophobicContact CD1-CD1 3.56Å; L225-L229 HydrophobicContact CD1-CG 3.99Å; L225-L229 HydrophobicContact CG-CD1 3.99Å; L225-L229 HydrophobicContact CG-CG 4.4Å; L225-L229 WeakPolarHBondContact O-CB 3.31Å; L225-L229 PolarHBondContact O-N 2.96Å; L225-L231 HydrophobicContact CD2-CD1 4.28Å
226N95.9Very high89.4Confident14 Ų1449.3 Ų49.38%0.07528%0.276CS..Hα-helixtrans-72.7-31.1179.7-174.372.9000113.6V222 N223 H224 W228 H230 L231 L232 W243V222-N226 WeakPolarHBondContact O-CB 3.23Å; V222-N226 PolarHBondContact O-N 3.11Å; N223-N226 CarbonylContact O-C 3.59Å; N223-N226 WeakPolarHBondContact O-CA 3.18Å; N223-N226 WeakPolarHBondContact O-CB 3.48Å; N223-N226 PolarHBondContact O-N 3.02Å; H224-N226 PolarHBondContact O-N 3.34Å; N226-W228 PolarHBondContact O-N 2.93Å; N226-H230 WeakPolarHBondContact O-CA 3.34Å; N226-H230 PolarHBondContact O-N 2.88Å; N226-L231 WeakPolarHBondContact OD1-CA 3.37Å; N226-L231 WeakPolarHBondContact OD1-CB 3.04Å; N226-L231 PolarHBondContact OD1-N 2.83Å; N226-L232 PolarHBondContact OD1-N 3.44Å; N226-W243 HydrophobicContact CB-CH2 3.99Å; N226-W243 HydrophobicContact CB-CZ2 3.59Å
227D94.3Very high87.7Confident76 Ų7655 Ų5541%0.40630%0.296SS..Hα-helixtrans-60.1-32171.2-63.6-27.2000110.9L158 N223 H224 H230L158-D227 HydrophobicContact CD2-CB 3.68Å; N223-D227 VanDerWaalsContact O-CG 3.26Å; N223-D227 PolarHBondContact O-N 3.39Å; H224-D227 IonicContact ND1-OD2 3.71Å; H224-D227 PolarHBondContact O-N 3.11Å; D227-H230 PolarHBondContact O-CE1 3.48Å
228W95.4Very high86.6Confident21 Ų2159.6 Ų59.68%0.0832%0.316CS..Hα-helixtrans-88.9-43178.1-175.930.5000114.2V119 M143 L147 L158 W160 A203 H224 L225 N226V119-W228 HydrophobicContact CG1-CZ3 4.19Å; V119-W228 HydrophobicContact CG2-CH2 4.38Å; V119-W228 HydrophobicContact CG2-CZ3 3.8Å; M143-W228 HydrophobicContact SD-CH2 3.97Å; M143-W228 HydrophobicContact SD-CZ2 4.3Å; L147-W228 HydrophobicContact CD2-CH2 4.46Å; L158-W228 HydrophobicContact CD1-CB 3.75Å; L158-W228 HydrophobicContact CD1-CG 3.94Å; W160-W228 HydrophobicContact CH2-CB 3.63Å; W160-W228 HydrophobicContact CH2-CE3 4.41Å; W160-W228 HydrophobicContact CH2-CG 4.3Å; W160-W228 HydrophobicContact CZ2-CB 4.38Å; W160-W228 HydrophobicContact CZ3-CB 4.2Å; W160-W228 HydrophobicContact CZ3-CD2 4.33Å; W160-W228 HydrophobicContact CZ3-CE3 4.12Å; W160-W228 HydrophobicContact CZ3-CG 4.4Å; A203-W228 HydrophobicContact CB-CH2 3.71Å; A203-W228 HydrophobicContact CB-CZ3 3.82Å; H224-W228 PolarHBondContact O-N 3.22Å; L225-W228 PolarHBondContact O-N 3.35Å; N226-W228 PolarHBondContact O-N 2.93Å
229L95.1Very high85.4Confident30 Ų3062.9 Ų62.916%0.15734%0.338CS..Hα-helixtrans-96.7-10.8-173-62.1-171.1000114T16 V18 V119 L225 L231T16-L229 HydrophobicContact CG2-CD1 4.13Å; V18-L229 HydrophobicContact CG2-CD1 4.25Å; V119-L229 HydrophobicContact CG2-CD1 4.45Å; L225-L229 HydrophobicContact CD1-CD1 3.56Å; L225-L229 HydrophobicContact CD1-CG 3.99Å; L225-L229 HydrophobicContact CG-CD1 3.99Å; L225-L229 HydrophobicContact CG-CG 4.4Å; L225-L229 WeakPolarHBondContact O-CB 3.31Å; L225-L229 PolarHBondContact O-N 2.96Å; L229-L231 VanDerWaalsContact C-N 3.29Å; L229-L231 HydrophobicContact CB-CD2 3.7Å; L229-L231 HydrophobicContact CB-CG 3.9Å; L229-L231 HydrophobicContact CD1-CD2 4.28Å; L229-L231 PolarHBondContact O-N 2.73Å
230H93.6Very high84.5Confident138 Ų13865.9 Ų65.964%0.63935%0.354SS*.  trans4849.4-178-52.9-55.6000112.7N226 D227 L232N226-H230 WeakPolarHBondContact O-CA 3.34Å; N226-H230 PolarHBondContact O-N 2.88Å; D227-H230 PolarHBondContact O-CE1 3.48Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 PolarHBondContact O-N 2.85Å
231L93.3Very high83.6Confident18 Ų1867.8 Ų67.89%0.09437%0.365CS..  trans-67.9-28-176.8-57.4-178.3000112.9I35 L85 L225 N226 L229I35-L231 HydrophobicContact CG2-CD1 4.48Å; L85-L231 HydrophobicContact CD1-CD2 4.43Å; L85-L231 HydrophobicContact CD2-CD1 4.3Å; L85-L231 HydrophobicContact CD2-CD2 4.14Å; L225-L231 HydrophobicContact CD2-CD1 4.28Å; N226-L231 WeakPolarHBondContact OD1-CA 3.37Å; N226-L231 WeakPolarHBondContact OD1-CB 3.04Å; N226-L231 PolarHBondContact OD1-N 2.83Å; L229-L231 VanDerWaalsContact C-N 3.29Å; L229-L231 HydrophobicContact CB-CD2 3.7Å; L229-L231 HydrophobicContact CB-CG 3.9Å; L229-L231 HydrophobicContact CD1-CD2 4.28Å; L229-L231 PolarHBondContact O-N 2.73Å
232L91.3Very high83Confident31 Ų3170.5 Ų70.516%0.16238%0.377CS..SBendtrans-122.3133.6179.8-57178000110.4T38 L39 N226 H230 K242 W243T38-L232 HydrophobicContact CG2-CD1 4.01Å; T38-L232 HydrophobicContact CG2-CD2 3.84Å; L39-L232 HydrophobicContact CD2-CD2 3.63Å; N226-L232 PolarHBondContact OD1-N 3.44Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 PolarHBondContact O-N 2.85Å; L232-K242 HydrophobicContact CD1-CB 3.8Å; L232-K242 HydrophobicContact CD1-CD 4.44Å; L232-W243 HydrophobicContact CD1-CD2 3.91Å; L232-W243 HydrophobicContact CD1-CE3 3.84Å; L232-W243 HydrophobicContact CD1-CH2 3.64Å; L232-W243 HydrophobicContact CD1-CZ2 3.72Å; L232-W243 HydrophobicContact CD1-CZ3 3.71Å; L232-W243 HydrophobicContact CG-CH2 4.01Å; L232-W243 HydrophobicContact CG-CZ2 4.41Å; L232-W243 HydrophobicContact CG-CZ3 4.21Å
233D76.9Confident82.9Confident161 Ų16171 Ų7186%0.86138%0.379SS*.  trans-73.3154.6177.2-67.1-41.6000113
234G62.3Low82.8Confident61 Ų6174.8 Ų74.863%0.62939%0.394SS*.SBendtrans93.3156.4165.800000116.1K242G234-K242 PolarHBondContact O-NZ 3.48Å
235Q53.4Low82.8Confident202 Ų20277 Ų7794%0.94441%0.406SS*.  trans-94.5122165.8-68-177.9-12.200107.5
236S56.6Low82.7Confident50 Ų5077.1 Ų77.135%0.3541%0.407SS..  trans-111.8140.6171.2-179.50000107.6E238 S241 K242S236-E238 PolarHBondContact O-N 3.35Å; S236-E238 PolarHBondContact OG-N 3.21Å; S236-E238 PolarHBondContact OG-O 3.14Å; S236-S241 PolarHBondContact OG-OG 3.37Å; S236-K242 VanDerWaalsContact CB-CE 3.41Å
237E60.6Low82.5Confident198 Ų19879.8 Ų79.893%0.92542%0.424SS*.SBendtrans-63.2-22.9172.4-63.7-168.6162.300111.6
238E74Confident82.3Confident136 Ų13678.4 Ų78.464%0.63642%0.42SS*.SBendtrans-11897.5173.6-66.8-163.6172.200111.4S236 N240 S241S236-E238 PolarHBondContact O-N 3.35Å; S236-E238 PolarHBondContact OG-N 3.21Å; S236-E238 PolarHBondContact OG-O 3.14Å; E238-N240 PolarHBondContact O-N 2.78Å; E238-S241 WeakPolarHBondContact O-CB 3.25Å; E238-S241 PolarHBondContact O-N 2.76Å; E238-S241 VanDerWaalsContact O-N 3.12Å; E238-S241 PolarHBondContact O-OG 3.35Å
239P72.3Confident82.3Confident69 Ų6978.3 Ų78.345%0.44842%0.42SS..G310 helixtrans-56.3-36.5-177.3-25.633.3000113.5S241 K242P239-S241 VanDerWaalsContact C-N 3.33Å; P239-S241 PolarHBondContact O-N 3.29Å; P239-K242 PolarHBondContact O-N 3.35Å
240N78.1Confident82Confident77 Ų7781.5 Ų81.541%0.41245%0.445SS..G310 helixtrans-72.5-25.2-177-67.5-6.5000113.2F219 N223 E238 K242 W243F219-N240 HydrophobicContact CD1-CB 3.62Å; F219-N240 VanDerWaalsContact CD1-CG 3.44Å; F219-N240 WeakPolarHBondContact CD1-OD1 3.44Å; F219-N240 HydrophobicContact CE1-CB 3.76Å; F219-N240 WeakPolarHBondContact CE1-O 3.11Å; F219-N240 HydrophobicContact CG-CB 4.39Å; N223-N240 PolarHBondContact ND2-OD1 3.22Å; E238-N240 PolarHBondContact O-N 2.78Å; N240-K242 PolarHBondContact O-N 3.25Å; N240-K242 VanDerWaalsContact O-N 3.09Å; N240-W243 PolarHBondContact O-N 3.19Å; N240-W243 VanDerWaalsContact O-N 3.16Å
241S77.9Confident81.7Confident75 Ų7580 Ų8052%0.52444%0.441SS..G310 helixtrans-62.2-19.9179.967.20000113.3S236 E238 P239S236-S241 PolarHBondContact OG-OG 3.37Å; E238-S241 WeakPolarHBondContact O-CB 3.25Å; E238-S241 PolarHBondContact O-N 2.76Å; E238-S241 VanDerWaalsContact O-N 3.12Å; E238-S241 PolarHBondContact O-OG 3.35Å; P239-S241 VanDerWaalsContact C-N 3.33Å; P239-S241 PolarHBondContact O-N 3.29Å
242K86.2Confident81.3Confident58 Ų5883 Ų8325%0.25246%0.457SS..G310 helixtrans-78.3-25.1-179.7-58.4-176.3179.4-1780113.6T38 L232 G234 S236 P239 N240T38-K242 VanDerWaalsContact CG2-O 3.22Å; T38-K242 WeakPolarHBondContact CG2-O 3.44Å; L232-K242 HydrophobicContact CD1-CB 3.8Å; L232-K242 HydrophobicContact CD1-CD 4.44Å; G234-K242 PolarHBondContact O-NZ 3.48Å; S236-K242 VanDerWaalsContact CB-CE 3.41Å; P239-K242 PolarHBondContact O-N 3.35Å; N240-K242 PolarHBondContact O-N 3.25Å; N240-K242 VanDerWaalsContact O-N 3.09Å
243W94.5Very high80.9Confident11 Ų1189 Ų894%0.04248%0.482CS..SBendtrans-92.3125.7-177-54.898.6000110.6L34 I35 T38 F219 V222 N223 N226 L232 N240 I245L34-W243 HydrophobicContact CB-CB 4.25Å; L34-W243 HydrophobicContact CB-CE3 4.3Å; L34-W243 HydrophobicContact CD2-CB 4.18Å; I35-W243 HydrophobicContact CG1-CZ3 4.16Å; T38-W243 HydrophobicContact CG2-CE3 4.15Å; T38-W243 WeakPolarHBondContact OG1-CA 3.43Å; F219-W243 HydrophobicContact CD1-CB 4.28Å; F219-W243 AromaticContact CD1-CD1 3.95Å; F219-W243 HydrophobicContact CD1-CG 4.4Å; F219-W243 HydrophobicContact CE1-CB 3.72Å; F219-W243 HydrophobicContact CE1-CG 4.29Å; V222-W243 HydrophobicContact CB-CZ2 4.38Å; V222-W243 HydrophobicContact CG1-CD2 3.82Å; V222-W243 HydrophobicContact CG1-CE3 4.42Å; V222-W243 HydrophobicContact CG1-CG 4.09Å; V222-W243 HydrophobicContact CG1-CZ2 4.04Å; V222-W243 HydrophobicContact CG2-CD2 4.17Å; V222-W243 HydrophobicContact CG2-CE3 4Å; V222-W243 HydrophobicContact CG2-CH2 3.54Å; V222-W243 HydrophobicContact CG2-CZ2 3.69Å; V222-W243 HydrophobicContact CG2-CZ3 3.69Å; N223-W243 PolarHBondContact OD1-NE1 2.59Å; N226-W243 HydrophobicContact CB-CH2 3.99Å; N226-W243 HydrophobicContact CB-CZ2 3.59Å; L232-W243 HydrophobicContact CD1-CD2 3.91Å; L232-W243 HydrophobicContact CD1-CE3 3.84Å; L232-W243 HydrophobicContact CD1-CH2 3.64Å; L232-W243 HydrophobicContact CD1-CZ2 3.72Å; L232-W243 HydrophobicContact CD1-CZ3 3.71Å; L232-W243 HydrophobicContact CG-CH2 4.01Å; L232-W243 HydrophobicContact CG-CZ2 4.41Å; L232-W243 HydrophobicContact CG-CZ3 4.21Å; N240-W243 PolarHBondContact O-N 3.19Å; N240-W243 VanDerWaalsContact O-N 3.16Å; W243-I245 PolarHBondContact O-N 3.38Å
244K94.6Very high81.2Confident105 Ų10583.3 Ų83.346%0.45746%0.461SS..  trans-81.7113.7175.6-173.2-176172.3-170.90110S37 T38S37-K244 WeakPolarHBondContact CB-O 3.31Å; S37-K244 WeakPolarHBondContact OG-CG 3.45Å; S37-K244 PolarHBondContact OG-O 3.16Å; T38-K244 PolarHBondContact OG1-N 2.81Å
245I95.1Very high82Confident85 Ų8585 Ų8544%0.43646%0.463SS..  trans-62.6130.7169.9-64.1175000109.3L34 F219 W243 W249L34-I245 HydrophobicContact CD2-CG1 4.17Å; F219-I245 HydrophobicContact CE2-CD1 4.18Å; F219-I245 HydrophobicContact CE2-CG1 4.17Å; F219-I245 HydrophobicContact CZ-CD1 4Å; F219-I245 HydrophobicContact CZ-CG1 3.77Å; W243-I245 PolarHBondContact O-N 3.38Å; I245-W249 HydrophobicContact CG1-CE3 4.47Å; I245-W249 HydrophobicContact CG2-CB 3.73Å; I245-W249 HydrophobicContact CG2-CD2 3.94Å; I245-W249 HydrophobicContact CG2-CE3 3.6Å; I245-W249 HydrophobicContact CG2-CG 4.05Å; I245-W249 HydrophobicContact CG2-CZ3 4.39Å
246P94.4Very high83Confident3 Ų378.7 Ų78.72%0.01945%0.452CS..  trans-69.3154.1177.734.1-42000111.7D33 Y61 S248 W249D33-P246 HydrophobicContact CB-CG 4Å; Y61-P246 HydrophobicContact CD1-CB 3.73Å; Y61-P246 HydrophobicContact CE1-CB 4.1Å; P246-S248 PolarHBondContact O-N 3.47Å; P246-W249 HydrophobicContact CG-CB 4.47Å; P246-W249 HydrophobicContact CG-CD2 4.01Å; P246-W249 HydrophobicContact CG-CG 3.71Å; P246-W249 VanDerWaalsContact CG-NE1 3.32Å; P246-W249 PolarHBondContact O-N 3.24Å; P246-W249 VanDerWaalsContact O-N 3.14Å
247T91.8Very high83.8Confident71 Ų7181.4 Ų81.444%0.43646%0.462SS..G310 helixtrans-63.6-28.1-179.145.40000113P60 A62 W249 S250P60-T247 PolarHBondContact O-OG1 2.66Å; A62-T247 PolarHBondContact N-OG1 3.17Å; A62-T247 WeakPolarHBondContact O-CG2 3.34Å; A62-T247 PolarHBondContact O-OG1 3.2Å; T247-W249 PolarHBondContact O-N 3.49Å; T247-W249 VanDerWaalsContact O-N 3.16Å; T247-S250 VanDerWaalsContact O-CB 3.31Å; T247-S250 WeakPolarHBondContact O-CB 3.39Å; T247-S250 PolarHBondContact O-N 3.35Å; T247-S250 VanDerWaalsContact O-N 3.09Å; T247-S250 PolarHBondContact O-OG 3.05Å
248S91.8Very high84.6Confident47 Ų4775.3 Ų75.333%0.32944%0.44SS..G310 helixtrans-58.7-25.2175.3640000114.3P60 P246 S250P60-S248 WeakPolarHBondContact O-CB 3.44Å; P60-S248 PolarHBondContact O-N 3.13Å; P60-S248 VanDerWaalsContact O-N 3.1Å; P60-S248 PolarHBondContact O-OG 3.25Å; P246-S248 PolarHBondContact O-N 3.47Å; S248-S250 PolarHBondContact O-N 3.26Å
249W93.9Very high84.6Confident19 Ų1974.6 Ų74.67%0.07245%0.447CS..G310 helixtrans-75.6-13.7179.7-70.621.1000112.9L30 D33 L34 I215 A218 F219 I245 P246 T247 L251 L252L30-W249 HydrophobicContact CB-CH2 3.97Å; L30-W249 HydrophobicContact CB-CZ2 3.63Å; L30-W249 HydrophobicContact CD2-CH2 4.13Å; L30-W249 HydrophobicContact CD2-CZ2 3.35Å; L30-W249 HydrophobicContact CG-CZ2 4.04Å; L30-W249 WeakPolarHBondContact O-CZ2 3.28Å; D33-W249 HydrophobicContact CB-CZ2 4.03Å; D33-W249 PolarHBondContact OD2-NE1 3.31Å; L34-W249 HydrophobicContact CD1-CH2 4.33Å; L34-W249 HydrophobicContact CD2-CH2 3.99Å; L34-W249 HydrophobicContact CD2-CZ3 4.29Å; L34-W249 HydrophobicContact CG-CH2 4.05Å; I215-W249 HydrophobicContact CB-CZ3 4.13Å; I215-W249 HydrophobicContact CD1-CE3 3.92Å; I215-W249 HydrophobicContact CD1-CZ3 4.19Å; I215-W249 HydrophobicContact CG1-CE3 3.8Å; I215-W249 HydrophobicContact CG1-CH2 4.38Å; I215-W249 HydrophobicContact CG1-CZ3 3.61Å; I215-W249 HydrophobicContact CG2-CE3 4.47Å; I215-W249 HydrophobicContact CG2-CZ3 3.78Å; A218-W249 HydrophobicContact CB-CH2 4.37Å; F219-W249 HydrophobicContact CE2-CZ3 4.38Å; I245-W249 HydrophobicContact CG1-CE3 4.47Å; I245-W249 HydrophobicContact CG2-CB 3.73Å; I245-W249 HydrophobicContact CG2-CD2 3.94Å; I245-W249 HydrophobicContact CG2-CE3 3.6Å; I245-W249 HydrophobicContact CG2-CG 4.05Å; I245-W249 HydrophobicContact CG2-CZ3 4.39Å; P246-W249 HydrophobicContact CG-CB 4.47Å; P246-W249 HydrophobicContact CG-CD2 4.01Å; P246-W249 HydrophobicContact CG-CG 3.71Å; P246-W249 VanDerWaalsContact CG-NE1 3.32Å; P246-W249 PolarHBondContact O-N 3.24Å; P246-W249 VanDerWaalsContact O-N 3.14Å; T247-W249 PolarHBondContact O-N 3.49Å; T247-W249 VanDerWaalsContact O-N 3.16Å; W249-L251 PolarHBondContact O-N 2.88Å; W249-L251 VanDerWaalsContact O-N 3.09Å; W249-L252 WeakPolarHBondContact O-CB 3.45Å; W249-L252 PolarHBondContact O-N 3.32Å; W249-L252 VanDerWaalsContact O-N 3.09Å
250S89.4Confident85Confident97 Ų9776 Ų7668%0.67847%0.465SS*.G310 helixtrans-58.8-22.5176.761.70000113.9T247 S248T247-S250 VanDerWaalsContact O-CB 3.31Å; T247-S250 WeakPolarHBondContact O-CB 3.39Å; T247-S250 PolarHBondContact O-N 3.35Å; T247-S250 VanDerWaalsContact O-N 3.09Å; T247-S250 PolarHBondContact O-OG 3.05Å; S248-S250 PolarHBondContact O-N 3.26Å
251L86.4Confident84.8Confident107 Ų10778.4 Ų78.456%0.5648%0.477SS*.G310 helixtrans-118.520.9179.1-61.4175.7000112.4W249 F253 G254W249-L251 PolarHBondContact O-N 2.88Å; W249-L251 VanDerWaalsContact O-N 3.09Å; L251-F253 PolarHBondContact O-N 3.4Å; L251-G254 PolarHBondContact O-N 3.43Å
252L85.3Confident84.4Confident80 Ų8085.2 Ų85.242%0.41950%0.497SS..THydrogen-bonded Turntrans-56.6-35.5179.7-162.988.2000111.9I215 W249I215-L252 HydrophobicContact CD1-CD2 4.02Å; I215-L252 HydrophobicContact CG1-CD2 4.36Å; W249-L252 WeakPolarHBondContact O-CB 3.45Å; W249-L252 PolarHBondContact O-N 3.32Å; W249-L252 VanDerWaalsContact O-N 3.09Å
253F84.4Confident84.3Confident156 Ų15686.6 Ų86.668%0.68451%0.509SS*.THydrogen-bonded Turntrans-10019.9177.4-56.2-69.8000113.1D213 L251D213-F253 HydrophobicContact CB-CZ 4.23Å; L251-F253 PolarHBondContact O-N 3.4Å
254G83.1Confident83.8Confident42 Ų4290.5 Ų90.543%0.43353%0.534SS..  trans85.4168.8-176.400000113.8L251L251-G254 PolarHBondContact O-N 3.43Å
255S77.4Confident83.2Confident97 Ų9789.7 Ų89.768%0.67854%0.538SS*.SBendtrans-67143.9162.954.40000108.6
256G74.9Confident82.5Confident69 Ų6990 Ų9071%0.71154%0.544SS*.SBendtrans-43.4157.3-172.700000115.3
257I74.2Confident81.7Confident108 Ų10895.4 Ų95.455%0.55458%0.577SS**  trans-50.9125.2-170.7-53.1171.8000110P259 L261 F262I257-P259 WeakPolarHBondContact O-CD 3.42Å; I257-P259 VanDerWaalsContact O-N 3.16Å; I257-L261 HydrophobicContact CG2-CB 4.13Å; I257-L261 HydrophobicContact CG2-CD1 3.96Å; I257-F262 HydrophobicContact CB-CE2 3.88Å; I257-F262 HydrophobicContact CD1-CE2 3.78Å; I257-F262 HydrophobicContact CD1-CZ 3.74Å; I257-F262 HydrophobicContact CG1-CE2 4.44Å; I257-F262 HydrophobicContact CG2-CD2 4.18Å; I257-F262 HydrophobicContact CG2-CE2 3.44Å; I257-F262 VanDerWaalsContact CG2-CE2 3.44Å; I257-F262 HydrophobicContact CG2-CZ 4.1Å
258P76.5Confident81Confident70 Ų7097.1 Ų97.146%0.45559%0.586SS.*  trans-48124.2174.3-29.131.6000110.5A260 L261P258-A260 PolarHBondContact O-N 3.45Å; P258-L261 HydrophobicContact CB-CD1 4.1Å; P258-L261 HydrophobicContact CB-CG 4.27Å; P258-L261 HydrophobicContact CG-CD1 3.96Å; P258-L261 WeakPolarHBondContact O-CB 3.49Å; P258-L261 PolarHBondContact O-N 3.31Å
259P74.3Confident80.3Confident121 Ų121100.6 Ų100.679%0.78661%0.605SS**G310 helixtrans-56-23-179.3-2834.8000113.5I257 L261 F262I257-P259 WeakPolarHBondContact O-CD 3.42Å; I257-P259 VanDerWaalsContact O-N 3.16Å; P259-L261 PolarHBondContact O-N 2.95Å; P259-F262 PolarHBondContact O-N 2.96Å
260A80.8Confident79.2Confident99 Ų99106.9 Ų106.982%0.81865%0.646SS**G310 helixtrans-72.6-4.8177.300000115.1P258P258-A260 PolarHBondContact O-N 3.45Å
261L74.5Confident78.4Confident127 Ų127107.8 Ų107.867%0.66564%0.643SS**G310 helixtrans-92-0.8175.7-70.5170.3000113.3I257 P258 P259I257-L261 HydrophobicContact CG2-CB 4.13Å; I257-L261 HydrophobicContact CG2-CD1 3.96Å; P258-L261 HydrophobicContact CB-CD1 4.1Å; P258-L261 HydrophobicContact CB-CG 4.27Å; P258-L261 HydrophobicContact CG-CD1 3.96Å; P258-L261 WeakPolarHBondContact O-CB 3.49Å; P258-L261 PolarHBondContact O-N 3.31Å; P259-L261 PolarHBondContact O-N 2.95Å
262F68.7Low77.6Confident217 Ų217107.8 Ų107.895%0.95265%0.65SS**  trans-123.80175.9-63.9-71000111.8I257 P259I257-F262 HydrophobicContact CB-CE2 3.88Å; I257-F262 HydrophobicContact CD1-CE2 3.78Å; I257-F262 HydrophobicContact CD1-CZ 3.74Å; I257-F262 HydrophobicContact CG1-CE2 4.44Å; I257-F262 HydrophobicContact CG2-CD2 4.18Å; I257-F262 HydrophobicContact CG2-CE2 3.44Å; I257-F262 VanDerWaalsContact CG2-CE2 3.44Å; I257-F262 HydrophobicContact CG2-CZ 4.1Å; P259-F262 PolarHBondContact O-N 2.96Å

Retrieved 262 of 262 residues in 380.8 ms (Link to these results)

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