A0A5K4F8Q3_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F8Q3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M59.3Low84.1Confident123 Ų12380.9 Ų80.961%0.60643%0.429SS*.  0166.80-66.9175.1-173.600108.8A26 L78M1-A26 HydrophobicContact CB-CB 4.29Å; M1-A26 WeakPolarHBondContact O-CB 3.29Å; M1-L78 HydrophobicContact CB-CD1 4.14Å
2G65.8Low85.1Confident25 Ų2578.6 Ų78.626%0.25842%0.417SS..  trans-148175.2-178.900000113.1Q4 N5G2-Q4 PolarHBondContact O-N 2.66Å; G2-N5 PolarHBondContact O-N 2.76Å
3F68.8Low86.1Confident55 Ų5573.2 Ų73.224%0.24139%0.388CS..G310 helixtrans-46.2-35.4-173.8-171.2-104.3000115.4N5 A6 V8 Q18 E19 V22F3-N5 PolarHBondContact O-N 2.73Å; F3-N5 VanDerWaalsContact O-N 3.13Å; F3-A6 PolarHBondContact O-N 2.61Å; F3-V8 HydrophobicContact CE2-CG2 4.2Å; F3-V8 HydrophobicContact CZ-CG2 4.45Å; F3-Q18 HydrophobicContact CE2-CB 4.25Å; F3-E19 HydrophobicContact CB-CG 4.38Å; F3-E19 HydrophobicContact CD1-CG 3.69Å; F3-E19 HydrophobicContact CD2-CB 4.12Å; F3-E19 HydrophobicContact CD2-CG 3.67Å; F3-E19 HydrophobicContact CE1-CG 3.73Å; F3-E19 HydrophobicContact CE2-CB 4.36Å; F3-E19 HydrophobicContact CE2-CG 3.71Å; F3-E19 HydrophobicContact CG-CB 4.35Å; F3-E19 HydrophobicContact CG-CG 3.65Å; F3-E19 HydrophobicContact CZ-CG 3.74Å; F3-V22 HydrophobicContact CB-CG1 4.41Å; F3-V22 HydrophobicContact CD2-CB 3.79Å; F3-V22 HydrophobicContact CD2-CG1 4.18Å; F3-V22 HydrophobicContact CD2-CG2 3.68Å; F3-V22 HydrophobicContact CE2-CG2 4Å
4Q73Confident86.9Confident190 Ų19073.9 Ų73.989%0.88839%0.392SS*.G310 helixtrans-61.7-22.3179.9-62.5-179.11600114.3G2G2-Q4 PolarHBondContact O-N 2.66Å
5N82.3Confident87.4Confident113 Ų11380.7 Ų80.760%0.60441%0.41SS*.G310 helixtrans-99.9-1.3178.5-65.7-17.9000112.8G2 F3G2-N5 PolarHBondContact O-N 2.76Å; F3-N5 PolarHBondContact O-N 2.73Å; F3-N5 VanDerWaalsContact O-N 3.13Å
6A94.2Very high87.9Confident17 Ų1784.9 Ų84.914%0.1442%0.421CS..EExtended strand (participates in β ladder)trans-87.9145.2176.200000111.1F3 V22 F76 F77 L78F3-A6 PolarHBondContact O-N 2.61Å; A6-V22 HydrophobicContact CB-CB 4.32Å; A6-V22 HydrophobicContact CB-CG1 3.48Å; A6-V22 VanDerWaalsContact CB-CG1 3.48Å; A6-V22 HydrophobicContact CB-CG2 3.81Å; A6-F76 HydrophobicContact CB-CD2 4.36Å; A6-F77 CarbonylContact C-O 3.57Å; A6-F77 WeakPolarHBondContact CA-O 3.5Å; A6-L78 HydrophobicContact CB-CD1 4.26Å
7V96Very high88.5Confident71 Ų7181.3 Ų81.343%0.4340%0.403SS..EExtended strand (participates in β ladder)trans-112.997.2171.7-177.60000107.5K9 F76 F77V7-K9 HydrophobicContact CG1-CD 4.07Å; V7-K9 PolarHBondContact O-N 3.16Å; V7-F76 CarbonylContact O-C 3.52Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.42Å; V7-F77 HydrophobicContact CB-CB 4.34Å; V7-F77 HydrophobicContact CB-CD2 4.43Å; V7-F77 PolarHBondContact N-O 3.41Å; V7-F77 PolarHBondContact O-N 3.48Å
8V96.3Very high89Confident48 Ų4878.8 Ų78.829%0.29139%0.39SS..EExtended strand (participates in β ladder)trans-67.3123.8170.8-1750000108.2F3 V74 F76F3-V8 HydrophobicContact CE2-CG2 4.2Å; F3-V8 HydrophobicContact CZ-CG2 4.45Å; V8-V74 HydrophobicContact CG1-CG2 4.18Å; V8-F76 HydrophobicContact CB-CB 4.4Å; V8-F76 HydrophobicContact CG2-CB 4.14Å
9K95.3Very high89.4Confident119 Ų11977.6 Ų77.652%0.51738%0.383SS..EExtended strand (participates in β ladder)trans-98.3-39.6-179.4-73-54.4-170.2-173.50112.2V7 Y75 F77V7-K9 HydrophobicContact CG1-CD 4.07Å; V7-K9 PolarHBondContact O-N 3.16Å; K9-Y75 HydrophobicContact CB-CD1 3.52Å; K9-Y75 HydrophobicContact CB-CE1 3.83Å; K9-Y75 HydrophobicContact CB-CG 4.43Å; K9-Y75 HydrophobicContact CG-CD1 4.25Å; K9-Y75 HydrophobicContact CG-CE1 4.1Å; K9-Y75 PolarHBondContact N-O 2.83Å; K9-F77 HydrophobicContact CD-CD2 4.36Å; K9-F77 HydrophobicContact CD-CE2 4.05Å; K9-F77 HydrophobicContact CG-CD2 3.99Å; K9-F77 HydrophobicContact CG-CE2 3.71Å; K9-F77 HydrophobicContact CG-CZ 4.09Å
10D96.4Very high89.8Confident98 Ų9874.9 Ų74.952%0.52437%0.369SS..EExtended strand (participates in β ladder)trans-153.6143.5177.1-163.95.5000109.5F73 Y75D10-F73 HydrophobicContact CB-CE1 3.98Å; D10-Y75 PolarHBondContact N-O 2.9Å; D10-Y75 PolarHBondContact O-N 3.01Å
11S97.6Very high90.2Very high31 Ų3171.3 Ų71.322%0.21735%0.352CS..EExtended strand (participates in β ladder)trans-168.7141.1179.2-166.30000111.6M13 Q18 F73 V74S11-M13 WeakPolarHBondContact OG-CB 3.29Å; S11-M13 PolarHBondContact OG-N 3.45Å; S11-Q18 WeakPolarHBondContact OG-CG 3.44Å; S11-Q18 PolarHBondContact OG-NE2 2.98Å; S11-F73 VanDerWaalsContact CA-O 3.31Å; S11-F73 WeakPolarHBondContact CA-O 3.38Å; S11-F73 PolarHBondContact OG-O 3.36Å; S11-V74 WeakPolarHBondContact OG-CG2 3.44Å
12D96.7Very high92.1Very high53 Ų5365.5 Ų65.528%0.28332%0.323SS..  trans-107.5-2.216771.5-12000112.6H68 Q71 G72 F73D12-H68 IonicContact OD2-CD2 3.63Å; D12-H68 IonicContact OD2-NE2 3.76Å; D12-Q71 VanDerWaalsContact CG-CA 3.47Å; D12-Q71 VanDerWaalsContact CG-N 3.35Å; D12-Q71 WeakPolarHBondContact O-CA 3.37Å; D12-Q71 WeakPolarHBondContact OD1-CA 3.38Å; D12-Q71 WeakPolarHBondContact OD2-CA 3.26Å; D12-Q71 PolarHBondContact OD2-N 3.46Å; D12-G72 PolarHBondContact OD1-N 3.34Å; D12-G72 VanDerWaalsContact OD1-N 3.1Å; D12-G72 PolarHBondContact OD2-N 3.45Å; D12-F73 PolarHBondContact N-O 2.93Å; D12-F73 VanDerWaalsContact N-O 3.08Å; D12-F73 VanDerWaalsContact OD1-CA 3.28Å; D12-F73 WeakPolarHBondContact OD1-CA 3.44Å; D12-F73 WeakPolarHBondContact OD1-CB 3.49Å; D12-F73 PolarHBondContact OD1-N 2.95Å
13M97.5Very high93.6Very high8 Ų867.6 Ų67.64%0.03933%0.328CS..SBendtrans-69.4152.1174.7-67.9179.1-176.200111.2S11 M17 Q18 F46 W54 F73 V74 L85S11-M13 WeakPolarHBondContact OG-CB 3.29Å; S11-M13 PolarHBondContact OG-N 3.45Å; M13-M17 HydrophobicContact CB-CB 4.17Å; M13-M17 HydrophobicContact CB-CG 4.31Å; M13-M17 HydrophobicContact CB-SD 4.25Å; M13-M17 HydrophobicContact CE-SD 4.2Å; M13-M17 HydrophobicContact CG-CG 4.16Å; M13-M17 HydrophobicContact CG-SD 3.73Å; M13-M17 HydrophobicContact SD-CB 4.41Å; M13-M17 HydrophobicContact SD-CG 3.68Å; M13-M17 HydrophobicContact SD-SD 3.76Å; M13-Q18 HydrophobicContact CB-CG 3.9Å; M13-Q18 PolarHBondContact O-NE2 3.36Å; M13-F46 HydrophobicContact CE-CE1 4.27Å; M13-F46 HydrophobicContact SD-CE1 4.49Å; M13-W54 HydrophobicContact CE-CH2 3.58Å; M13-W54 HydrophobicContact CE-CZ3 3.35Å; M13-F73 WeakPolarHBondContact CG-O 3.42Å; M13-V74 HydrophobicContact CE-CB 4.09Å; M13-V74 HydrophobicContact CE-CG1 3.69Å; M13-V74 HydrophobicContact CG-CB 4.49Å; M13-V74 HydrophobicContact SD-CB 3.69Å; M13-V74 HydrophobicContact SD-CG1 3.61Å; M13-L85 HydrophobicContact CE-CD2 4.13Å; M13-L85 HydrophobicContact CE-CG 4.37Å
14D96.9Very high95Very high83 Ų8365.5 Ų65.544%0.44432%0.319SS..  trans-65.4162.2166.773.946.7000111.8Y16 M17 Q18D14-Y16 VanDerWaalsContact C-N 3.26Å; D14-Y16 PolarHBondContact O-N 3.39Å; D14-Y16 WeakPolarHBondContact OD1-CA 3.38Å; D14-Y16 WeakPolarHBondContact OD1-CB 3.27Å; D14-Y16 PolarHBondContact OD1-N 2.88Å; D14-M17 PolarHBondContact O-N 3.22Å; D14-M17 PolarHBondContact OD1-N 2.73Å; D14-Q18 WeakPolarHBondContact O-CG 3.45Å; D14-Q18 PolarHBondContact O-N 2.79Å
15R94.8Very high96.2Very high176 Ų17656.5 Ų56.566%0.66428%0.278SS*.Hα-helixtrans-59.1-35.6-177-179174.6172.9170.82113.2Q18 E19R15-Q18 PolarHBondContact O-N 2.98Å; R15-E19 HydrophobicContact CG-CG 4.4Å; R15-E19 IonicContact CZ-OE1 3.55Å; R15-E19 IonicContact NE-OE1 3.97Å; R15-E19 PolarHBondContact NE-OE1 3Å; R15-E19 IonicContact NH2-OE1 2.77Å; R15-E19 PolarHBondContact NH2-OE1 2.86Å; R15-E19 WeakPolarHBondContact O-CB 3.31Å; R15-E19 VanDerWaalsContact O-CG 3.31Å; R15-E19 WeakPolarHBondContact O-CG 3.23Å; R15-E19 PolarHBondContact O-N 3.38Å
16Y96.2Very high96.9Very high149 Ų14951.2 Ų51.258%0.58425%0.25SC*.Hα-helixtrans-69-41.8-178.4176.9-95.5000110.8D14 E19 E20D14-Y16 VanDerWaalsContact C-N 3.26Å; D14-Y16 PolarHBondContact O-N 3.39Å; D14-Y16 WeakPolarHBondContact OD1-CA 3.38Å; D14-Y16 WeakPolarHBondContact OD1-CB 3.27Å; D14-Y16 PolarHBondContact OD1-N 2.88Å; Y16-E19 PolarHBondContact O-N 3.4Å; Y16-E20 WeakPolarHBondContact O-CB 3.29Å; Y16-E20 PolarHBondContact O-N 3.09Å
17M97.5Very high97Very high23 Ų2354 Ų5411%0.11326%0.26CS..Hα-helixtrans-68.9-36.3175.7-170179.9-5900111.9M13 D14 E20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.17Å; M13-M17 HydrophobicContact CB-CG 4.31Å; M13-M17 HydrophobicContact CB-SD 4.25Å; M13-M17 HydrophobicContact CE-SD 4.2Å; M13-M17 HydrophobicContact CG-CG 4.16Å; M13-M17 HydrophobicContact CG-SD 3.73Å; M13-M17 HydrophobicContact SD-CB 4.41Å; M13-M17 HydrophobicContact SD-CG 3.68Å; M13-M17 HydrophobicContact SD-SD 3.76Å; D14-M17 PolarHBondContact O-N 3.22Å; D14-M17 PolarHBondContact OD1-N 2.73Å; M17-E20 PolarHBondContact O-N 2.86Å; M17-A21 WeakPolarHBondContact O-CB 3.23Å; M17-A21 PolarHBondContact O-N 2.96Å; M17-F46 HydrophobicContact CG-CE1 3.75Å; M17-F46 HydrophobicContact CG-CZ 4.22Å; M17-F46 HydrophobicContact SD-CE1 4.1Å; M17-Y50 HydrophobicContact CE-CD1 3.72Å; M17-Y50 HydrophobicContact CE-CE1 3.45Å; M17-Y50 VanDerWaalsContact CE-CE1 3.45Å; M17-Y50 HydrophobicContact CE-CE2 4.41Å; M17-Y50 HydrophobicContact CE-CG 4.31Å; M17-Y50 HydrophobicContact CG-CE2 4.22Å; M17-W54 HydrophobicContact SD-CH2 4.32Å
18Q97.7Very high97Very high36 Ų3650.6 Ų50.617%0.16824%0.239CC..Hα-helixtrans-61.4-48.4171.1-68.6175.932.200111.8F3 S11 M13 D14 R15 E20 A21 V22 V74F3-Q18 HydrophobicContact CE2-CB 4.25Å; S11-Q18 WeakPolarHBondContact OG-CG 3.44Å; S11-Q18 PolarHBondContact OG-NE2 2.98Å; M13-Q18 HydrophobicContact CB-CG 3.9Å; M13-Q18 PolarHBondContact O-NE2 3.36Å; D14-Q18 WeakPolarHBondContact O-CG 3.45Å; D14-Q18 PolarHBondContact O-N 2.79Å; R15-Q18 PolarHBondContact O-N 2.98Å; Q18-E20 VanDerWaalsContact C-N 3.27Å; Q18-E20 PolarHBondContact O-N 2.57Å; Q18-A21 PolarHBondContact O-N 3.23Å; Q18-V22 WeakPolarHBondContact O-CG2 3.21Å; Q18-V22 PolarHBondContact O-N 3.4Å; Q18-V74 HydrophobicContact CG-CG2 4.31Å
19E96.7Very high97Very high56 Ų5650 Ų5026%0.26223%0.234SC..Hα-helixtrans-59-41.3178-77.1177.4-171.300111.3F3 R15 Y16 N23F3-E19 HydrophobicContact CB-CG 4.38Å; F3-E19 HydrophobicContact CD1-CG 3.69Å; F3-E19 HydrophobicContact CD2-CB 4.12Å; F3-E19 HydrophobicContact CD2-CG 3.67Å; F3-E19 HydrophobicContact CE1-CG 3.73Å; F3-E19 HydrophobicContact CE2-CB 4.36Å; F3-E19 HydrophobicContact CE2-CG 3.71Å; F3-E19 HydrophobicContact CG-CB 4.35Å; F3-E19 HydrophobicContact CG-CG 3.65Å; F3-E19 HydrophobicContact CZ-CG 3.74Å; R15-E19 HydrophobicContact CG-CG 4.4Å; R15-E19 IonicContact CZ-OE1 3.55Å; R15-E19 IonicContact NE-OE1 3.97Å; R15-E19 PolarHBondContact NE-OE1 3Å; R15-E19 IonicContact NH2-OE1 2.77Å; R15-E19 PolarHBondContact NH2-OE1 2.86Å; R15-E19 WeakPolarHBondContact O-CB 3.31Å; R15-E19 VanDerWaalsContact O-CG 3.31Å; R15-E19 WeakPolarHBondContact O-CG 3.23Å; R15-E19 PolarHBondContact O-N 3.38Å; Y16-E19 PolarHBondContact O-N 3.4Å; E19-N23 WeakPolarHBondContact O-CB 3.37Å; E19-N23 PolarHBondContact O-N 3.26Å; E19-N23 PolarHBondContact O-ND2 2.79Å; E19-N23 VanDerWaalsContact O-ND2 3.13Å
20E97.2Very high97Very high24 Ų2450 Ų5011%0.11224%0.239CC..Hα-helixtrans-67.3-44.4175.5-169.3169.5-124.500113Y16 M17 Q18 V22 N23 I24 Y45 K49 Y50Y16-E20 WeakPolarHBondContact O-CB 3.29Å; Y16-E20 PolarHBondContact O-N 3.09Å; M17-E20 PolarHBondContact O-N 2.86Å; Q18-E20 VanDerWaalsContact C-N 3.27Å; Q18-E20 PolarHBondContact O-N 2.57Å; E20-V22 VanDerWaalsContact C-N 3.26Å; E20-V22 PolarHBondContact O-N 2.98Å; E20-N23 PolarHBondContact O-N 2.9Å; E20-N23 VanDerWaalsContact O-N 3.17Å; E20-I24 HydrophobicContact CG-CG1 4.17Å; E20-I24 WeakPolarHBondContact O-CG1 3.35Å; E20-I24 PolarHBondContact O-N 2.86Å; E20-Y45 VanDerWaalsContact CD-OH 3.27Å; E20-Y45 HydrophobicContact CG-CE1 3.84Å; E20-Y45 PolarHBondContact OE1-OH 2.8Å; E20-K49 IonicContact OE1-NZ 2.61Å; E20-K49 PolarHBondContact OE1-NZ 3.13Å; E20-K49 WeakPolarHBondContact OE2-CD 3.45Å; E20-K49 WeakPolarHBondContact OE2-CE 3.31Å; E20-K49 IonicContact OE2-NZ 2.66Å; E20-K49 PolarHBondContact OE2-NZ 3.24Å; E20-Y50 VanDerWaalsContact OE2-CE2 3.29Å; E20-Y50 WeakPolarHBondContact OE2-CE2 3.46Å; E20-Y50 PolarHBondContact OE2-OH 3Å
21A98.5Very high96.9Very high0 Ų052.5 Ų52.50%024%0.241CC..Hα-helixtrans-55.4-43.817700000111.6M17 Q18 A25 L42 F46 V74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.23Å; M17-A21 PolarHBondContact O-N 2.96Å; Q18-A21 PolarHBondContact O-N 3.23Å; A21-A25 VanDerWaalsContact O-CB 3.27Å; A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 3.33Å; A21-L42 WeakPolarHBondContact O-CD1 3.47Å; A21-F46 HydrophobicContact CB-CE2 4.06Å; A21-F46 HydrophobicContact CB-CZ 3.66Å; A21-V74 HydrophobicContact CB-CG1 4.01Å; A21-F76 HydrophobicContact CB-CE1 4.23Å; A21-L85 HydrophobicContact CB-CD2 4.11Å
22V98.2Very high96.9Very high0 Ų053.8 Ų53.80%024%0.244CC..Hα-helixtrans-69.1-42177.9175.10000112.1F3 A6 Q18 E20 A25 A26 F76 L78F3-V22 HydrophobicContact CB-CG1 4.41Å; F3-V22 HydrophobicContact CD2-CB 3.79Å; F3-V22 HydrophobicContact CD2-CG1 4.18Å; F3-V22 HydrophobicContact CD2-CG2 3.68Å; F3-V22 HydrophobicContact CE2-CG2 4Å; A6-V22 HydrophobicContact CB-CB 4.32Å; A6-V22 HydrophobicContact CB-CG1 3.48Å; A6-V22 VanDerWaalsContact CB-CG1 3.48Å; A6-V22 HydrophobicContact CB-CG2 3.81Å; Q18-V22 WeakPolarHBondContact O-CG2 3.21Å; Q18-V22 PolarHBondContact O-N 3.4Å; E20-V22 VanDerWaalsContact C-N 3.26Å; E20-V22 PolarHBondContact O-N 2.98Å; V22-A25 PolarHBondContact O-N 3.36Å; V22-A26 WeakPolarHBondContact O-CB 3.49Å; V22-A26 PolarHBondContact O-N 3.05Å; V22-F76 HydrophobicContact CB-CE2 4.28Å; V22-F76 HydrophobicContact CB-CZ 4.47Å; V22-F76 HydrophobicContact CG1-CE2 4.46Å; V22-F76 HydrophobicContact CG2-CD1 4.27Å; V22-F76 HydrophobicContact CG2-CD2 3.8Å; V22-F76 HydrophobicContact CG2-CE1 4.24Å; V22-F76 HydrophobicContact CG2-CE2 3.78Å; V22-F76 HydrophobicContact CG2-CG 4.04Å; V22-F76 HydrophobicContact CG2-CZ 3.99Å; V22-L78 HydrophobicContact CG1-CD1 4.45Å; V22-L78 HydrophobicContact CG1-CD2 4.43Å
23N97.4Very high96.8Very high70 Ų7058.8 Ų58.837%0.37427%0.27SS..Hα-helixtrans-64.3-43.4-179.9-71-24.7000111.1E19 E20 A25 A26 E27E19-N23 WeakPolarHBondContact O-CB 3.37Å; E19-N23 PolarHBondContact O-N 3.26Å; E19-N23 PolarHBondContact O-ND2 2.79Å; E19-N23 VanDerWaalsContact O-ND2 3.13Å; E20-N23 PolarHBondContact O-N 2.9Å; E20-N23 VanDerWaalsContact O-N 3.17Å; N23-A25 VanDerWaalsContact C-N 3.35Å; N23-A26 WeakPolarHBondContact O-CB 3.41Å; N23-A26 PolarHBondContact O-N 3.24Å; N23-E27 PolarHBondContact O-N 2.95Å
24I98.2Very high96.8Very high10 Ų1062.2 Ų62.25%0.05129%0.292CS..Hα-helixtrans-68.4-34.8176.1-59.8-59.4000111.5E20 E27 G28 L42 Y45E20-I24 HydrophobicContact CG-CG1 4.17Å; E20-I24 WeakPolarHBondContact O-CG1 3.35Å; E20-I24 PolarHBondContact O-N 2.86Å; I24-E27 PolarHBondContact O-N 3.23Å; I24-G28 PolarHBondContact O-N 3.11Å; I24-L42 HydrophobicContact CB-CD1 3.7Å; I24-L42 HydrophobicContact CG2-CB 4.45Å; I24-L42 HydrophobicContact CG2-CD1 3.59Å; I24-Y45 HydrophobicContact CD1-CD1 4.31Å; I24-Y45 HydrophobicContact CD1-CD2 3.79Å; I24-Y45 HydrophobicContact CD1-CE1 4.17Å; I24-Y45 HydrophobicContact CD1-CE2 3.64Å; I24-Y45 HydrophobicContact CD1-CG 4.12Å; I24-Y45 HydrophobicContact CG1-CD1 3.77Å; I24-Y45 HydrophobicContact CG1-CD2 4.14Å; I24-Y45 HydrophobicContact CG1-CE1 3.78Å; I24-Y45 HydrophobicContact CG1-CE2 4.16Å; I24-Y45 HydrophobicContact CG1-CG 3.95Å; I24-Y45 HydrophobicContact CG2-CD1 4.34Å; I24-Y45 HydrophobicContact CG2-CD2 4.46Å; I24-Y45 HydrophobicContact CG2-CG 3.97Å
25A98.2Very high96.9Very high1 Ų160.3 Ų60.31%0.00828%0.282CS..Hα-helixtrans-63.3-41.7171.300000112.1A21 V22 N23 G28 M29 L42 F76 L78 F83A21-A25 VanDerWaalsContact O-CB 3.27Å; A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 3.33Å; V22-A25 PolarHBondContact O-N 3.36Å; N23-A25 VanDerWaalsContact C-N 3.35Å; A25-G28 WeakPolarHBondContact O-CA 3.36Å; A25-G28 PolarHBondContact O-N 2.79Å; A25-G28 VanDerWaalsContact O-N 3.17Å; A25-M29 WeakPolarHBondContact O-CG 3.41Å; A25-M29 PolarHBondContact O-N 3.1Å; A25-L42 HydrophobicContact CB-CD2 4.25Å; A25-F76 HydrophobicContact CB-CE2 3.84Å; A25-F76 HydrophobicContact CB-CZ 3.59Å; A25-L78 HydrophobicContact CB-CD2 4.23Å; A25-F83 HydrophobicContact CB-CD1 3.73Å; A25-F83 HydrophobicContact CB-CD2 4.48Å; A25-F83 HydrophobicContact CB-CE1 3.67Å; A25-F83 HydrophobicContact CB-CE2 4.42Å; A25-F83 HydrophobicContact CB-CG 4.18Å; A25-F83 HydrophobicContact CB-CZ 4.05Å
26A97Very high97Very high2 Ų259.9 Ų59.92%0.01729%0.285CS..Hα-helixtrans-62.9-43.5175.400000111.8M1 V22 N23 G28 M29 D30 L78M1-A26 HydrophobicContact CB-CB 4.29Å; M1-A26 WeakPolarHBondContact O-CB 3.29Å; V22-A26 WeakPolarHBondContact O-CB 3.49Å; V22-A26 PolarHBondContact O-N 3.05Å; N23-A26 WeakPolarHBondContact O-CB 3.41Å; N23-A26 PolarHBondContact O-N 3.24Å; A26-G28 VanDerWaalsContact C-N 3.28Å; A26-G28 PolarHBondContact O-N 3.47Å; A26-M29 PolarHBondContact O-N 3.39Å; A26-D30 PolarHBondContact O-N 2.7Å; A26-L78 HydrophobicContact CB-CD2 3.8Å
27E96.5Very high97.2Very high76 Ų7656.3 Ų56.336%0.35528%0.275SS..Hα-helixtrans-59.5-40.3172-72.5-173.9-15000111.9N23 I24 D30 R31N23-E27 PolarHBondContact O-N 2.95Å; I24-E27 PolarHBondContact O-N 3.23Å; E27-D30 PolarHBondContact O-N 3.33Å; E27-R31 WeakPolarHBondContact O-CB 3.47Å; E27-R31 VanDerWaalsContact O-CG 3.25Å; E27-R31 WeakPolarHBondContact O-CG 3.49Å; E27-R31 PolarHBondContact O-N 3.16Å; E27-R31 VanDerWaalsContact O-N 3.14Å; E27-R31 IonicContact OE2-CZ 3.5Å; E27-R31 IonicContact OE2-NH1 3.26Å; E27-R31 IonicContact OE2-NH2 3.3Å; E27-R31 PolarHBondContact OE2-NH2 2.81Å
28G97Very high97.2Very high0 Ų055.6 Ų55.60%027%0.272CS..Hα-helixtrans-60.9-44.317500000112.6I24 A25 A26 D30 R31 H32I24-G28 PolarHBondContact O-N 3.11Å; A25-G28 WeakPolarHBondContact O-CA 3.36Å; A25-G28 PolarHBondContact O-N 2.79Å; A25-G28 VanDerWaalsContact O-N 3.17Å; A26-G28 VanDerWaalsContact C-N 3.28Å; A26-G28 PolarHBondContact O-N 3.47Å; G28-D30 VanDerWaalsContact C-N 3.34Å; G28-R31 PolarHBondContact O-N 2.87Å; G28-H32 WeakPolarHBondContact O-CB 3.49Å; G28-H32 PolarHBondContact O-CD2 3.2Å; G28-H32 PolarHBondContact O-N 3.23Å
29M95.4Very high97.3Very high36 Ų3654.4 Ų54.418%0.17727%0.268CS..Hα-helixtrans-64.7-36.4176.3-69.7-178.771.600112.6A25 A26 R31 M38 L78 R81 F83A25-M29 WeakPolarHBondContact O-CG 3.41Å; A25-M29 PolarHBondContact O-N 3.1Å; A26-M29 PolarHBondContact O-N 3.39Å; M29-R31 VanDerWaalsContact C-N 3.27Å; M29-R31 PolarHBondContact O-N 2.93Å; M29-M38 HydrophobicContact CB-SD 4.45Å; M29-M38 HydrophobicContact CG-SD 3.78Å; M29-L78 HydrophobicContact SD-CB 4.22Å; M29-L78 HydrophobicContact SD-CD2 3.64Å; M29-L78 HydrophobicContact SD-CG 3.73Å; M29-R81 HydrophobicContact CE-CG 4.46Å; M29-F83 HydrophobicContact CG-CE2 4.28Å; M29-F83 HydrophobicContact CG-CZ 3.72Å; M29-F83 HydrophobicContact SD-CE2 3.8Å; M29-F83 HydrophobicContact SD-CZ 3.87Å
30D94.9Very high97.4Very high117 Ų11753.8 Ų53.863%0.62627%0.27SS*.Hα-helixtrans-73.6-21.1179-68.2-22.5000111.9A26 E27 G28A26-D30 PolarHBondContact O-N 2.7Å; E27-D30 PolarHBondContact O-N 3.33Å; G28-D30 VanDerWaalsContact C-N 3.34Å
31R95.9Very high97.4Very high151 Ų15154.4 Ų54.457%0.5727%0.273SS*.Hα-helixtrans-103.2-22.8-176.2-69.4177.8-169.6172.816.1114.9E27 G28 M29 H41E27-R31 WeakPolarHBondContact O-CB 3.47Å; E27-R31 VanDerWaalsContact O-CG 3.25Å; E27-R31 WeakPolarHBondContact O-CG 3.49Å; E27-R31 PolarHBondContact O-N 3.16Å; E27-R31 VanDerWaalsContact O-N 3.14Å; E27-R31 IonicContact OE2-CZ 3.5Å; E27-R31 IonicContact OE2-NH1 3.26Å; E27-R31 IonicContact OE2-NH2 3.3Å; E27-R31 PolarHBondContact OE2-NH2 2.81Å; G28-R31 PolarHBondContact O-N 2.87Å; M29-R31 VanDerWaalsContact C-N 3.27Å; M29-R31 PolarHBondContact O-N 2.93Å; R31-H41 PolarHBondContact NH1-CE1 3.24Å
32H96.8Very high97.4Very high58 Ų5854.4 Ų54.427%0.26927%0.273SS..  trans-136.2131.1-169.1-56.5-64.4000111.4G28 D37 M38G28-H32 WeakPolarHBondContact O-CB 3.49Å; G28-H32 PolarHBondContact O-CD2 3.2Å; G28-H32 PolarHBondContact O-N 3.23Å; H32-D37 HydrophobicContact CB-CB 3.91Å; H32-M38 HydrophobicContact CB-CG 3.95Å; H32-M38 WeakPolarHBondContact O-CE 3.48Å
33D94.7Very high97.5Very high158 Ų15858.2 Ų58.285%0.84529%0.289SS*.SBendtrans-85.8-17175-63.7-47000113
34V97.8Very high97.5Very high80 Ų8060.1 Ų60.149%0.48530%0.296SS..SBendtrans-100.2123.9-174.4-179.90000110.3K36 D37 M38V34-K36 HydrophobicContact CG1-CB 4.13Å; V34-K36 PolarHBondContact O-N 3.25Å; V34-K36 VanDerWaalsContact O-N 3.13Å; V34-D37 HydrophobicContact CB-CB 4.36Å; V34-D37 WeakPolarHBondContact O-CB 3.18Å; V34-D37 PolarHBondContact O-N 3.3Å; V34-M38 PolarHBondContact O-N 3.02Å; V34-M38 VanDerWaalsContact O-N 3.13Å
35D98.2Very high97.5Very high44 Ų4463.1 Ų63.124%0.23531%0.307CS..Hα-helixtrans-53-39.3-177.1-66.8-3.1000112.7D37 M38 A39 V58 R81D35-D37 VanDerWaalsContact C-N 3.31Å; D35-D37 PolarHBondContact O-N 2.81Å; D35-M38 PolarHBondContact O-N 2.93Å; D35-M38 WeakPolarHBondContact OD1-CE 3.28Å; D35-A39 WeakPolarHBondContact O-CB 3.44Å; D35-A39 PolarHBondContact O-N 3.45Å; D35-V58 HydrophobicContact CB-CB 4.2Å; D35-V58 HydrophobicContact CB-CG1 4.1Å; D35-R81 VanDerWaalsContact CG-NE 3.3Å; D35-R81 IonicContact OD1-CZ 2.74Å; D35-R81 IonicContact OD1-NE 3.2Å; D35-R81 PolarHBondContact OD1-NE 3.13Å; D35-R81 IonicContact OD1-NH2 3.43Å; D35-R81 PolarHBondContact OD1-NH2 3.38Å; D35-R81 IonicContact OD2-NE 2.81Å; D35-R81 PolarHBondContact OD2-NE 3.13Å
36K98.2Very high97.6Very high167 Ų16763.1 Ų63.173%0.72631%0.307SS*.Hα-helixtrans-61.5-38.3176.7-175.5-173.6174.4-172.20112.5V34 A39 S40V34-K36 HydrophobicContact CG1-CB 4.13Å; V34-K36 PolarHBondContact O-N 3.25Å; V34-K36 VanDerWaalsContact O-N 3.13Å; K36-A39 PolarHBondContact O-N 3.47Å; K36-S40 WeakPolarHBondContact O-CB 3.08Å; K36-S40 PolarHBondContact O-N 2.77Å
37D98.6Very high97.6Very high73 Ų7364.7 Ų64.739%0.3932%0.315SS..Hα-helixtrans-75.2-38.8-178.3-65.7-18.3000110.4H32 V34 D35 A39 S40 H41H32-D37 HydrophobicContact CB-CB 3.91Å; V34-D37 HydrophobicContact CB-CB 4.36Å; V34-D37 WeakPolarHBondContact O-CB 3.18Å; V34-D37 PolarHBondContact O-N 3.3Å; D35-D37 VanDerWaalsContact C-N 3.31Å; D35-D37 PolarHBondContact O-N 2.81Å; D37-A39 PolarHBondContact O-N 3.41Å; D37-S40 PolarHBondContact O-N 3.3Å; D37-H41 WeakPolarHBondContact O-CB 3.48Å; D37-H41 PolarHBondContact O-N 3.42Å
38M98.4Very high97.7Very high9 Ų968.5 Ų68.54%0.04434%0.337CS..Hα-helixtrans-58.4-47169.4-57.6179-133.600111.5M29 H32 V34 D35 S40 H41 L42 V58 F83M29-M38 HydrophobicContact CB-SD 4.45Å; M29-M38 HydrophobicContact CG-SD 3.78Å; H32-M38 HydrophobicContact CB-CG 3.95Å; H32-M38 WeakPolarHBondContact O-CE 3.48Å; V34-M38 PolarHBondContact O-N 3.02Å; V34-M38 VanDerWaalsContact O-N 3.13Å; D35-M38 PolarHBondContact O-N 2.93Å; D35-M38 WeakPolarHBondContact OD1-CE 3.28Å; M38-S40 VanDerWaalsContact C-N 3.33Å; M38-S40 PolarHBondContact O-N 2.95Å; M38-H41 WeakPolarHBondContact O-CB 3.35Å; M38-H41 PolarHBondContact O-N 2.9Å; M38-L42 PolarHBondContact O-N 3.17Å; M38-L42 VanDerWaalsContact O-N 3.13Å; M38-V58 HydrophobicContact CB-CG2 4.46Å; M38-V58 HydrophobicContact SD-CG1 4.24Å; M38-F83 HydrophobicContact CB-CE1 4.42Å; M38-F83 HydrophobicContact SD-CZ 4.36Å
39A98.8Very high97.7Very high11 Ų1172.7 Ų72.79%0.09136%0.355CS..Hα-helixtrans-60.8-44.3177.400000111.4D35 K36 D37 H41 K43 C56 V58D35-A39 WeakPolarHBondContact O-CB 3.44Å; D35-A39 PolarHBondContact O-N 3.45Å; K36-A39 PolarHBondContact O-N 3.47Å; D37-A39 PolarHBondContact O-N 3.41Å; A39-H41 VanDerWaalsContact C-N 3.34Å; A39-H41 PolarHBondContact O-N 2.92Å; A39-K43 WeakPolarHBondContact O-CB 3.49Å; A39-K43 PolarHBondContact O-N 3.07Å; A39-C56 HydrophobicContact CB-CB 4.16Å; A39-C56 WeakPolarHBondContact O-CB 3.4Å; A39-V58 HydrophobicContact CB-CB 4.27Å; A39-V58 HydrophobicContact CB-CG2 3.7Å
40S98.7Very high97.8Very high43 Ų4373.8 Ų73.830%0.30136%0.358SS..Hα-helixtrans-62.7-40.5176.8-173.80000111.6K36 D37 M38 Q44K36-S40 WeakPolarHBondContact O-CB 3.08Å; K36-S40 PolarHBondContact O-N 2.77Å; D37-S40 PolarHBondContact O-N 3.3Å; M38-S40 VanDerWaalsContact C-N 3.33Å; M38-S40 PolarHBondContact O-N 2.95Å; S40-Q44 VanDerWaalsContact O-CB 3.29Å; S40-Q44 WeakPolarHBondContact O-CB 3.29Å; S40-Q44 WeakPolarHBondContact O-CG 3.18Å; S40-Q44 PolarHBondContact O-N 3.25Å; S40-Q44 PolarHBondContact OG-NE2 3.08Å; S40-Q44 VanDerWaalsContact OG-NE2 3.16Å
41H98.6Very high97.8Very high36 Ų3669.9 Ų69.917%0.16735%0.346CS..Hα-helixtrans-58.4-53.6177.6-173.572.8000111.5R31 D37 M38 A39 Q44 Y45R31-H41 PolarHBondContact NH1-CE1 3.24Å; D37-H41 WeakPolarHBondContact O-CB 3.48Å; D37-H41 PolarHBondContact O-N 3.42Å; M38-H41 WeakPolarHBondContact O-CB 3.35Å; M38-H41 PolarHBondContact O-N 2.9Å; A39-H41 VanDerWaalsContact C-N 3.34Å; A39-H41 PolarHBondContact O-N 2.92Å; H41-Q44 PolarHBondContact O-N 2.94Å; H41-Y45 PolarHBondContact O-N 3.44Å; H41-Y45 VanDerWaalsContact O-N 3.11Å
42L98.6Very high97.7Very high0 Ų072.7 Ų72.70%036%0.356CS..Hα-helixtrans-63.9-46179.1-178.160.1000112A21 I24 A25 M38 Q44 Y45 F46 F83 L85A21-L42 WeakPolarHBondContact O-CD1 3.47Å; I24-L42 HydrophobicContact CB-CD1 3.7Å; I24-L42 HydrophobicContact CG2-CB 4.45Å; I24-L42 HydrophobicContact CG2-CD1 3.59Å; A25-L42 HydrophobicContact CB-CD2 4.25Å; M38-L42 PolarHBondContact O-N 3.17Å; M38-L42 VanDerWaalsContact O-N 3.13Å; L42-Q44 VanDerWaalsContact C-N 3.34Å; L42-Q44 PolarHBondContact O-N 3.3Å; L42-Y45 PolarHBondContact O-N 3.13Å; L42-F46 HydrophobicContact CD1-CD2 3.67Å; L42-F46 HydrophobicContact CD1-CE2 3.55Å; L42-F46 HydrophobicContact CG-CD2 4.33Å; L42-F46 WeakPolarHBondContact O-CD2 3.33Å; L42-F46 PolarHBondContact O-N 3.24Å; L42-F83 HydrophobicContact CD2-CD1 4.21Å; L42-L85 HydrophobicContact CD1-CD2 4.18Å; L42-L85 HydrophobicContact CD2-CB 4.17Å; L42-L85 HydrophobicContact CD2-CD1 4.4Å; L42-L85 HydrophobicContact CD2-CD2 4.02Å; L42-L85 HydrophobicContact CD2-CG 4.43Å; L42-L85 HydrophobicContact CG-CD1 4.19Å; L42-L85 HydrophobicContact CG-CD2 3.99Å
43K98.7Very high97.7Very high80 Ų8072.7 Ų72.735%0.34836%0.36SS..Hα-helixtrans-56.8-45.7176166.9176.7172.2170.10112A39 F46 N47 W54 C56A39-K43 WeakPolarHBondContact O-CB 3.49Å; A39-K43 PolarHBondContact O-N 3.07Å; K43-F46 PolarHBondContact O-N 2.85Å; K43-N47 WeakPolarHBondContact CE-ND2 3.18Å; K43-N47 WeakPolarHBondContact CG-ND2 3.24Å; K43-N47 VanDerWaalsContact O-CB 3.31Å; K43-N47 WeakPolarHBondContact O-CB 3.06Å; K43-N47 VanDerWaalsContact O-CG 3.28Å; K43-N47 PolarHBondContact O-N 3.46Å; K43-N47 PolarHBondContact O-ND2 3.29Å; K43-W54 VanDerWaalsContact CD-O 3.24Å; K43-W54 WeakPolarHBondContact CD-O 3.49Å; K43-W54 WeakPolarHBondContact CE-O 3.41Å; K43-W54 HydrophobicContact CG-CB 4.48Å; K43-W54 WeakPolarHBondContact CG-O 3.49Å; K43-C56 HydrophobicContact CB-CB 3.99Å
44Q98.5Very high97.9Very high110 Ų11065.4 Ų65.451%0.51432%0.321SS..Hα-helixtrans-66.2-42-177.6-76.51769.500111.1S40 H41 L42 N47 L48S40-Q44 VanDerWaalsContact O-CB 3.29Å; S40-Q44 WeakPolarHBondContact O-CB 3.29Å; S40-Q44 WeakPolarHBondContact O-CG 3.18Å; S40-Q44 PolarHBondContact O-N 3.25Å; S40-Q44 PolarHBondContact OG-NE2 3.08Å; S40-Q44 VanDerWaalsContact OG-NE2 3.16Å; H41-Q44 PolarHBondContact O-N 2.94Å; L42-Q44 VanDerWaalsContact C-N 3.34Å; L42-Q44 PolarHBondContact O-N 3.3Å; Q44-N47 PolarHBondContact O-N 2.88Å; Q44-L48 VanDerWaalsContact O-CG 3.29Å; Q44-L48 WeakPolarHBondContact O-CG 3.42Å; Q44-L48 PolarHBondContact O-N 2.94Å
45Y98.7Very high97.9Very high74 Ų7465 Ų6529%0.2931%0.314SS..Hα-helixtrans-56.7-51.8174.4-176.6-89.2000111.8E20 I24 H41 L42 N47 L48 K49E20-Y45 VanDerWaalsContact CD-OH 3.27Å; E20-Y45 HydrophobicContact CG-CE1 3.84Å; E20-Y45 PolarHBondContact OE1-OH 2.8Å; I24-Y45 HydrophobicContact CD1-CD1 4.31Å; I24-Y45 HydrophobicContact CD1-CD2 3.79Å; I24-Y45 HydrophobicContact CD1-CE1 4.17Å; I24-Y45 HydrophobicContact CD1-CE2 3.64Å; I24-Y45 HydrophobicContact CD1-CG 4.12Å; I24-Y45 HydrophobicContact CG1-CD1 3.77Å; I24-Y45 HydrophobicContact CG1-CD2 4.14Å; I24-Y45 HydrophobicContact CG1-CE1 3.78Å; I24-Y45 HydrophobicContact CG1-CE2 4.16Å; I24-Y45 HydrophobicContact CG1-CG 3.95Å; I24-Y45 HydrophobicContact CG2-CD1 4.34Å; I24-Y45 HydrophobicContact CG2-CD2 4.46Å; I24-Y45 HydrophobicContact CG2-CG 3.97Å; H41-Y45 PolarHBondContact O-N 3.44Å; H41-Y45 VanDerWaalsContact O-N 3.11Å; L42-Y45 PolarHBondContact O-N 3.13Å; Y45-N47 PolarHBondContact O-N 2.87Å; Y45-L48 PolarHBondContact O-N 2.82Å; Y45-L48 VanDerWaalsContact O-N 3.16Å; Y45-K49 HydrophobicContact CE1-CB 4.38Å; Y45-K49 HydrophobicContact CE1-CD 3.81Å; Y45-K49 WeakPolarHBondContact O-CB 3.23Å; Y45-K49 PolarHBondContact O-N 2.9Å
46F98.6Very high98Very high0 Ų063.8 Ų63.80%031%0.309CS..Hα-helixtrans-66.6-36.7-179.7-87.9-106.3000112.5M13 M17 A21 L42 K43 L48 K49 Y50 W54 L85M13-F46 HydrophobicContact CE-CE1 4.27Å; M13-F46 HydrophobicContact SD-CE1 4.49Å; M17-F46 HydrophobicContact CG-CE1 3.75Å; M17-F46 HydrophobicContact CG-CZ 4.22Å; M17-F46 HydrophobicContact SD-CE1 4.1Å; A21-F46 HydrophobicContact CB-CE2 4.06Å; A21-F46 HydrophobicContact CB-CZ 3.66Å; L42-F46 HydrophobicContact CD1-CD2 3.67Å; L42-F46 HydrophobicContact CD1-CE2 3.55Å; L42-F46 HydrophobicContact CG-CD2 4.33Å; L42-F46 WeakPolarHBondContact O-CD2 3.33Å; L42-F46 PolarHBondContact O-N 3.24Å; K43-F46 PolarHBondContact O-N 2.85Å; F46-L48 VanDerWaalsContact C-N 3.28Å; F46-L48 PolarHBondContact O-N 2.96Å; F46-K49 PolarHBondContact O-N 3.03Å; F46-Y50 HydrophobicContact CB-CD2 4.46Å; F46-Y50 AromaticContact CD1-CD2 3.39Å; F46-Y50 HydrophobicContact CD1-CD2 3.39Å; F46-Y50 AromaticContact CD1-CE2 3.91Å; F46-Y50 HydrophobicContact CD1-CE2 3.91Å; F46-Y50 HydrophobicContact CD1-CG 4.32Å; F46-Y50 AromaticContact CE1-CD2 3.64Å; F46-Y50 HydrophobicContact CE1-CD2 3.64Å; F46-Y50 AromaticContact CE1-CE2 3.67Å; F46-Y50 HydrophobicContact CE1-CE2 3.67Å; F46-Y50 AromaticContact CG-CD2 3.99Å; F46-Y50 HydrophobicContact CG-CD2 3.99Å; F46-Y50 HydrophobicContact CZ-CD2 4.39Å; F46-Y50 HydrophobicContact CZ-CE2 4.08Å; F46-Y50 WeakPolarHBondContact O-CA 3.42Å; F46-Y50 WeakPolarHBondContact O-CB 3.29Å; F46-Y50 PolarHBondContact O-N 3.42Å; F46-W54 HydrophobicContact CB-CB 4.22Å; F46-W54 HydrophobicContact CB-CD2 3.7Å; F46-W54 HydrophobicContact CB-CE3 4.22Å; F46-W54 HydrophobicContact CB-CG 3.68Å; F46-W54 HydrophobicContact CD1-CD2 4.03Å; F46-W54 AromaticContact CD1-CE2 3.92Å; F46-W54 AromaticContact CD1-CE3 4Å; F46-W54 HydrophobicContact CD1-CE3 4Å; F46-W54 AromaticContact CD1-CH2 3.74Å; F46-W54 HydrophobicContact CD1-CH2 3.74Å; F46-W54 AromaticContact CD1-CZ2 3.79Å; F46-W54 HydrophobicContact CD1-CZ2 3.79Å; F46-W54 AromaticContact CD1-CZ3 3.86Å; F46-W54 HydrophobicContact CD1-CZ3 3.86Å; F46-W54 HydrophobicContact CE1-CH2 4.24Å; F46-W54 HydrophobicContact CE1-CZ3 4.43Å; F46-W54 HydrophobicContact CG-CD2 4.29Å; F46-W54 HydrophobicContact CG-CE3 4.42Å; F46-W54 PolarHBondContact O-NE1 3.49Å; F46-L85 HydrophobicContact CD1-CD2 3.7Å; F46-L85 HydrophobicContact CD2-CD2 3.69Å; F46-L85 HydrophobicContact CE1-CD2 3.69Å; F46-L85 HydrophobicContact CE2-CD2 3.71Å; F46-L85 HydrophobicContact CG-CD1 4.46Å; F46-L85 HydrophobicContact CG-CD2 3.72Å; F46-L85 HydrophobicContact CZ-CD2 3.71Å
47N98.3Very high98Very high35 Ų3559.4 Ų59.419%0.18729%0.292CS..Hα-helixtrans-60-37.8172.7-81.2-44.7000113.3K43 Q44 Y45 G51 R52 T53 W54K43-N47 WeakPolarHBondContact CE-ND2 3.18Å; K43-N47 WeakPolarHBondContact CG-ND2 3.24Å; K43-N47 VanDerWaalsContact O-CB 3.31Å; K43-N47 WeakPolarHBondContact O-CB 3.06Å; K43-N47 VanDerWaalsContact O-CG 3.28Å; K43-N47 PolarHBondContact O-N 3.46Å; K43-N47 PolarHBondContact O-ND2 3.29Å; Q44-N47 PolarHBondContact O-N 2.88Å; Y45-N47 PolarHBondContact O-N 2.87Å; N47-G51 CarbonylContact C-O 3.55Å; N47-G51 VanDerWaalsContact CA-O 3.23Å; N47-G51 WeakPolarHBondContact CA-O 3.34Å; N47-G51 CarbonylContact O-C 3.25Å; N47-G51 VanDerWaalsContact O-C 3.25Å; N47-R52 VanDerWaalsContact OD1-CA 3.27Å; N47-R52 WeakPolarHBondContact OD1-CA 3.45Å; N47-T53 PolarHBondContact OD1-N 2.89Å; N47-W54 PolarHBondContact OD1-N 3.49Å
48L98.1Very high98Very high156 Ų15656.7 Ų56.782%0.81728%0.278SS*.Hα-helixtrans-75.4-41.9179.5-72.1169.4000111.5Q44 Y45 F46Q44-L48 VanDerWaalsContact O-CG 3.29Å; Q44-L48 WeakPolarHBondContact O-CG 3.42Å; Q44-L48 PolarHBondContact O-N 2.94Å; Y45-L48 PolarHBondContact O-N 2.82Å; Y45-L48 VanDerWaalsContact O-N 3.16Å; F46-L48 VanDerWaalsContact C-N 3.28Å; F46-L48 PolarHBondContact O-N 2.96Å
49K98.1Very high97.9Very high88 Ų8856.7 Ų56.738%0.38328%0.281SS..Hα-helixtrans-85.2-41.3-173.9-172.4172.2-178.3-165.70113.9E20 Y45 F46E20-K49 IonicContact OE1-NZ 2.61Å; E20-K49 PolarHBondContact OE1-NZ 3.13Å; E20-K49 WeakPolarHBondContact OE2-CD 3.45Å; E20-K49 WeakPolarHBondContact OE2-CE 3.31Å; E20-K49 IonicContact OE2-NZ 2.66Å; E20-K49 PolarHBondContact OE2-NZ 3.24Å; Y45-K49 HydrophobicContact CE1-CB 4.38Å; Y45-K49 HydrophobicContact CE1-CD 3.81Å; Y45-K49 WeakPolarHBondContact O-CB 3.23Å; Y45-K49 PolarHBondContact O-N 2.9Å; F46-K49 PolarHBondContact O-N 3.03Å
50Y96.9Very high97.8Very high59 Ų5962.8 Ų62.823%0.23131%0.305CS..SBendtrans-114.317-168.6-63.2-67.6000113.4M17 E20 F46 W54M17-Y50 HydrophobicContact CE-CD1 3.72Å; M17-Y50 HydrophobicContact CE-CE1 3.45Å; M17-Y50 VanDerWaalsContact CE-CE1 3.45Å; M17-Y50 HydrophobicContact CE-CE2 4.41Å; M17-Y50 HydrophobicContact CE-CG 4.31Å; M17-Y50 HydrophobicContact CG-CE2 4.22Å; E20-Y50 VanDerWaalsContact OE2-CE2 3.29Å; E20-Y50 WeakPolarHBondContact OE2-CE2 3.46Å; E20-Y50 PolarHBondContact OE2-OH 3Å; F46-Y50 HydrophobicContact CB-CD2 4.46Å; F46-Y50 AromaticContact CD1-CD2 3.39Å; F46-Y50 HydrophobicContact CD1-CD2 3.39Å; F46-Y50 AromaticContact CD1-CE2 3.91Å; F46-Y50 HydrophobicContact CD1-CE2 3.91Å; F46-Y50 HydrophobicContact CD1-CG 4.32Å; F46-Y50 AromaticContact CE1-CD2 3.64Å; F46-Y50 HydrophobicContact CE1-CD2 3.64Å; F46-Y50 AromaticContact CE1-CE2 3.67Å; F46-Y50 HydrophobicContact CE1-CE2 3.67Å; F46-Y50 AromaticContact CG-CD2 3.99Å; F46-Y50 HydrophobicContact CG-CD2 3.99Å; F46-Y50 HydrophobicContact CZ-CD2 4.39Å; F46-Y50 HydrophobicContact CZ-CE2 4.08Å; F46-Y50 WeakPolarHBondContact O-CA 3.42Å; F46-Y50 WeakPolarHBondContact O-CB 3.29Å; F46-Y50 PolarHBondContact O-N 3.42Å; Y50-W54 HydrophobicContact CG-CZ2 4.43Å
51G94.8Very high97.5Very high36 Ų3669.6 Ų69.637%0.37133%0.332SS..  trans82.8167.2-176.100000112.3N47 W54N47-G51 CarbonylContact C-O 3.55Å; N47-G51 VanDerWaalsContact CA-O 3.23Å; N47-G51 WeakPolarHBondContact CA-O 3.34Å; N47-G51 CarbonylContact O-C 3.25Å; N47-G51 VanDerWaalsContact O-C 3.25Å; G51-W54 PolarHBondContact O-NE1 2.78Å; G51-W54 VanDerWaalsContact O-NE1 3.09Å
52R94.4Very high97.4Very high209 Ų20970.2 Ų70.279%0.78934%0.335SS*.SBendtrans-69.5-176.4-171.5-56.3-175.4-162.8179.75.2112.2N47 K87N47-R52 VanDerWaalsContact OD1-CA 3.27Å; N47-R52 WeakPolarHBondContact OD1-CA 3.45Å; R52-K87 VanDerWaalsContact O-CE 3.23Å; R52-K87 WeakPolarHBondContact O-CE 3.47Å
53T95.9Very high97.2Very high58 Ų5874 Ų7436%0.35637%0.374SS..  trans68.926.9173.162.70000116.1N47 H55 S88N47-T53 PolarHBondContact OD1-N 2.89Å; T53-H55 PolarHBondContact O-CD2 2.85Å; T53-H55 VanDerWaalsContact O-CD2 3.26Å; T53-H55 PolarHBondContact O-NE2 3.22Å; T53-S88 WeakPolarHBondContact CB-O 3.27Å; T53-S88 PolarHBondContact O-N 2.83Å
54W98.6Very high96.9Very high5 Ų573 Ų732%0.01938%0.377CS..EExtended strand (participates in β ladder)trans-78.2142.8165-67.785.2000112.3M13 M17 K43 F46 N47 Y50 G51 G72 L85 K87M13-W54 HydrophobicContact CE-CH2 3.58Å; M13-W54 HydrophobicContact CE-CZ3 3.35Å; M17-W54 HydrophobicContact SD-CH2 4.32Å; K43-W54 VanDerWaalsContact CD-O 3.24Å; K43-W54 WeakPolarHBondContact CD-O 3.49Å; K43-W54 WeakPolarHBondContact CE-O 3.41Å; K43-W54 HydrophobicContact CG-CB 4.48Å; K43-W54 WeakPolarHBondContact CG-O 3.49Å; F46-W54 HydrophobicContact CB-CB 4.22Å; F46-W54 HydrophobicContact CB-CD2 3.7Å; F46-W54 HydrophobicContact CB-CE3 4.22Å; F46-W54 HydrophobicContact CB-CG 3.68Å; F46-W54 HydrophobicContact CD1-CD2 4.03Å; F46-W54 AromaticContact CD1-CE2 3.92Å; F46-W54 AromaticContact CD1-CE3 4Å; F46-W54 HydrophobicContact CD1-CE3 4Å; F46-W54 AromaticContact CD1-CH2 3.74Å; F46-W54 HydrophobicContact CD1-CH2 3.74Å; F46-W54 AromaticContact CD1-CZ2 3.79Å; F46-W54 HydrophobicContact CD1-CZ2 3.79Å; F46-W54 AromaticContact CD1-CZ3 3.86Å; F46-W54 HydrophobicContact CD1-CZ3 3.86Å; F46-W54 HydrophobicContact CE1-CH2 4.24Å; F46-W54 HydrophobicContact CE1-CZ3 4.43Å; F46-W54 HydrophobicContact CG-CD2 4.29Å; F46-W54 HydrophobicContact CG-CE3 4.42Å; F46-W54 PolarHBondContact O-NE1 3.49Å; N47-W54 PolarHBondContact OD1-N 3.49Å; Y50-W54 HydrophobicContact CG-CZ2 4.43Å; G51-W54 PolarHBondContact O-NE1 2.78Å; G51-W54 VanDerWaalsContact O-NE1 3.09Å; W54-G72 WeakPolarHBondContact CZ3-O 3.31Å; W54-L85 HydrophobicContact CB-CD1 4.5Å; W54-L85 HydrophobicContact CE3-CD1 3.77Å; W54-L85 HydrophobicContact CE3-CD2 4.33Å; W54-L85 HydrophobicContact CE3-CG 3.79Å; W54-L85 HydrophobicContact CZ3-CD1 4.46Å; W54-L85 HydrophobicContact CZ3-CD2 4.31Å; W54-L85 HydrophobicContact CZ3-CG 3.99Å; W54-K87 HydrophobicContact CD2-CB 3.86Å; W54-K87 HydrophobicContact CD2-CD 4.49Å; W54-K87 HydrophobicContact CD2-CG 4.05Å; W54-K87 HydrophobicContact CE3-CB 3.86Å; W54-K87 HydrophobicContact CG-CG 4.33Å; W54-K87 HydrophobicContact CH2-CB 4.02Å; W54-K87 HydrophobicContact CZ2-CB 4.01Å; W54-K87 HydrophobicContact CZ2-CD 3.9Å; W54-K87 HydrophobicContact CZ2-CG 4.27Å; W54-K87 HydrophobicContact CZ3-CB 3.93Å
55H98.6Very high96.8Very high71 Ų7175.6 Ų75.633%0.32939%0.394SS..EExtended strand (participates in β ladder)trans-124.9139.9174.7-54.8-85.9000108.6T53 L85 F86 S88T53-H55 PolarHBondContact O-CD2 2.85Å; T53-H55 VanDerWaalsContact O-CD2 3.26Å; T53-H55 PolarHBondContact O-NE2 3.22Å; H55-L85 WeakPolarHBondContact O-CA 3.5Å; H55-F86 HydrophobicContact CB-CD1 4.25Å; H55-F86 HydrophobicContact CB-CD2 4.41Å; H55-F86 HydrophobicContact CB-CE1 3.77Å; H55-F86 HydrophobicContact CB-CE2 3.94Å; H55-F86 HydrophobicContact CB-CZ 3.59Å; H55-F86 AromaticContact CD2-CE2 3.93Å; H55-F86 PolarHBondContact N-O 3.26Å; H55-F86 PolarHBondContact O-N 2.81Å; H55-S88 PolarHBondContact NE2-O 3.2Å
56C98.7Very high96.6Very high20 Ų2074 Ų7414%0.13539%0.392CS..EExtended strand (participates in β ladder)trans-135.3136.6178.2-174.60000109.8A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.16Å; A39-C56 WeakPolarHBondContact O-CB 3.4Å; K43-C56 HydrophobicContact CB-CB 3.99Å; C56-L84 CarbonylContact C-O 3.53Å; C56-L84 VanDerWaalsContact CA-O 3.26Å; C56-L84 WeakPolarHBondContact CA-O 3.37Å; C56-L85 HydrophobicContact CB-CD1 4Å
57I98.6Very high96.5Very high74 Ų7479 Ų7938%0.37943%0.427SS..EExtended strand (participates in β ladder)trans-124.2131.3175.5-53-177.4000107.4F62 L84 F86I57-F62 HydrophobicContact CG2-CD1 4.33Å; I57-F62 HydrophobicContact CG2-CE1 4.22Å; I57-F62 HydrophobicContact CG2-CZ 4.35Å; I57-L84 HydrophobicContact CB-CB 4.31Å; I57-L84 HydrophobicContact CD1-CD2 4.22Å; I57-L84 PolarHBondContact N-O 3.13Å; I57-L84 PolarHBondContact O-N 2.87Å; I57-F86 HydrophobicContact CD1-CE1 4.46Å
58V98.7Very high96.4Very high16 Ų1681 Ų8110%0.09744%0.435CS..EExtended strand (participates in β ladder)trans-127.8137.1177.4-179.20000108.5D35 M38 A39 R81 S82 F83D35-V58 HydrophobicContact CB-CB 4.2Å; D35-V58 HydrophobicContact CB-CG1 4.1Å; M38-V58 HydrophobicContact CB-CG2 4.46Å; M38-V58 HydrophobicContact SD-CG1 4.24Å; A39-V58 HydrophobicContact CB-CB 4.27Å; A39-V58 HydrophobicContact CB-CG2 3.7Å; V58-R81 HydrophobicContact CG1-CB 4.24Å; V58-R81 HydrophobicContact CG1-CG 4.24Å; V58-S82 WeakPolarHBondContact CA-O 3.42Å; V58-F83 HydrophobicContact CB-CD1 4.42Å; V58-F83 HydrophobicContact CB-CE1 4.3Å; V58-F83 HydrophobicContact CG1-CD1 4.31Å; V58-F83 HydrophobicContact CG1-CE1 3.86Å; V58-F83 HydrophobicContact CG1-CE2 4.31Å; V58-F83 HydrophobicContact CG1-CZ 3.85Å; V58-F83 HydrophobicContact CG2-CD1 3.35Å; V58-F83 HydrophobicContact CG2-CE1 3.38Å; V58-F83 HydrophobicContact CG2-CG 4.16Å; V58-F83 HydrophobicContact CG2-CZ 4.23Å
59G97.8Very high96.4Very high9 Ų976.6 Ų76.69%0.09341%0.41CS..EExtended strand (participates in β ladder)trans179.9164.7176.100000113.2S82G59-S82 PolarHBondContact N-O 3.37Å; G59-S82 VanDerWaalsContact N-O 3.09Å; G59-S82 WeakPolarHBondContact O-CB 3.49Å; G59-S82 PolarHBondContact O-N 2.87Å; G59-S82 PolarHBondContact O-OG 2.91Å
60K95.2Very high96.3Very high139 Ų13980.9 Ų80.960%0.60443%0.432SS*.SBendtrans-66.5-41177.5-69.3-173.3172.1-176.70112.6D80K60-D80 WeakPolarHBondContact CE-OD2 3.37Å; K60-D80 IonicContact NZ-OD2 3.86Å
61Q92.4Very high96.2Very high186 Ų18684.4 Ų84.487%0.86945%0.45SS*.SBendtrans-151.9125.9-178.4-172.1173.810.300109.5
62F96.3Very high96.4Very high49 Ų4982.8 Ų82.822%0.21543%0.434CS..  trans-152.9157.517156.4-98.6000109.9I57 Y75 S82 L84I57-F62 HydrophobicContact CG2-CD1 4.33Å; I57-F62 HydrophobicContact CG2-CE1 4.22Å; I57-F62 HydrophobicContact CG2-CZ 4.35Å; F62-Y75 HydrophobicContact CE2-CD2 4.37Å; F62-Y75 AromaticContact CE2-CE2 3.82Å; F62-Y75 HydrophobicContact CE2-CE2 3.82Å; F62-Y75 HydrophobicContact CZ-CD2 4.34Å; F62-Y75 AromaticContact CZ-CE2 3.77Å; F62-Y75 HydrophobicContact CZ-CE2 3.77Å; F62-S82 WeakPolarHBondContact CE1-O 3.34Å; F62-L84 HydrophobicContact CE2-CB 3.88Å; F62-L84 HydrophobicContact CE2-CD2 4.37Å; F62-L84 HydrophobicContact CZ-CB 3.84Å
63G94.7Very high96.5Very high80 Ų8073.7 Ų73.783%0.82540%0.4SS*.  trans-100.8147.4162.400000109.1
64S94Very high96.7Very high58 Ų5870.9 Ų70.941%0.40638%0.383SS..  trans-140.1136.8178.655.60000110.6L84S64-L84 VanDerWaalsContact CB-CD2 3.47Å
65D95Very high96.7Very high165 Ų16572.7 Ų72.788%0.88239%0.39SS*.  trans-139.1107.5167.8-175.27.3000106.3
66V95.9Very high96.6Very high40 Ų4069.3 Ų69.324%0.24237%0.374CS..  trans-138.7136.5-169.3-59.60000111.6H68 F73 L84 F86V66-H68 PolarHBondContact O-ND1 2.96Å; V66-F73 HydrophobicContact CG2-CD2 4.24Å; V66-F73 HydrophobicContact CG2-CE2 3.88Å; V66-L84 HydrophobicContact CG2-CD2 4.39Å; V66-F86 HydrophobicContact CB-CD2 4.38Å; V66-F86 HydrophobicContact CB-CE1 4.5Å; V66-F86 HydrophobicContact CB-CE2 4.07Å; V66-F86 HydrophobicContact CB-CZ 4.13Å; V66-F86 HydrophobicContact CG1-CE1 4.21Å; V66-F86 HydrophobicContact CG1-CE2 4.38Å; V66-F86 HydrophobicContact CG1-CZ 3.94Å; V66-F86 HydrophobicContact CG2-CD1 4.1Å; V66-F86 HydrophobicContact CG2-CD2 4.08Å; V66-F86 HydrophobicContact CG2-CE1 4.24Å; V66-F86 HydrophobicContact CG2-CE2 4.22Å; V66-F86 HydrophobicContact CG2-CG 4.01Å; V66-F86 HydrophobicContact CG2-CZ 4.3Å
67S96.4Very high96.6Very high107 Ų10771.6 Ų71.675%0.74838%0.382SS*.  trans-80.6135.5166.5-54.30000110.4S88S67-S88 PolarHBondContact O-OG 3.09Å
68H96.3Very high96.4Very high76 Ų7668 Ų6835%0.35236%0.364SS..  trans-141.6160-177.153.7-87.1000111.4D12 V66 F73 F86 K87D12-H68 IonicContact OD2-CD2 3.63Å; D12-H68 IonicContact OD2-NE2 3.76Å; V66-H68 PolarHBondContact O-ND1 2.96Å; H68-F73 HydrophobicContact CB-CB 4.35Å; H68-F73 HydrophobicContact CB-CD2 4.47Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CD2-CG 3.95Å; H68-F73 AromaticContact CE1-CD2 3.62Å; H68-F73 AromaticContact CE1-CG 3.76Å; H68-F73 AromaticContact CG-CD2 3.83Å; H68-F73 AromaticContact ND1-CD2 3.48Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.25Å; H68-F73 AromaticContact ND1-CG 3.98Å; H68-F73 WeakPolarHBondContact NE2-CB 3.48Å; H68-F73 AromaticContact NE2-CG 3.74Å; H68-F86 HydrophobicContact CB-CB 4.03Å; H68-F86 HydrophobicContact CB-CD2 4.24Å; H68-K87 CarbonylContact C-O 3.33Å; H68-K87 VanDerWaalsContact CA-O 3.23Å; H68-K87 WeakPolarHBondContact CA-O 3.15Å; H68-K87 WeakPolarHBondContact CB-O 3.41Å
69E97Very high96.2Very high63 Ų6370 Ų7029%0.29439%0.387SS..  trans-70149.3169.6-65173.4-136.300110.6G72 K87E69-G72 WeakPolarHBondContact O-CA 3.34Å; E69-G72 PolarHBondContact O-N 2.9Å; E69-K87 HydrophobicContact CB-CB 4.47Å; E69-K87 PolarHBondContact N-O 3.27Å; E69-K87 IonicContact OE1-NZ 3.76Å; E69-K87 WeakPolarHBondContact OE2-CD 3.37Å; E69-K87 VanDerWaalsContact OE2-CE 3.29Å; E69-K87 WeakPolarHBondContact OE2-CE 3.4Å; E69-K87 IonicContact OE2-NZ 2.73Å; E69-K87 PolarHBondContact OE2-NZ 2.74Å
70E95.8Very high96Very high179 Ų17974.1 Ų74.184%0.83641%0.407SS*.THydrogen-bonded Turntrans-57.7141.8176.7-67.3-175.9175.800112.3G72E70-G72 PolarHBondContact O-N 3.14Å
71Q95.8Very high96Very high132 Ų13269.1 Ų69.162%0.61738%0.384SS*.THydrogen-bonded Turntrans59.621.3-177.3-54.4177.88.300113.4D12D12-Q71 VanDerWaalsContact CG-CA 3.47Å; D12-Q71 VanDerWaalsContact CG-N 3.35Å; D12-Q71 WeakPolarHBondContact O-CA 3.37Å; D12-Q71 WeakPolarHBondContact OD1-CA 3.38Å; D12-Q71 WeakPolarHBondContact OD2-CA 3.26Å; D12-Q71 PolarHBondContact OD2-N 3.46Å
72G97.3Very high96.3Very high2 Ų260.5 Ų60.52%0.02135%0.345CS..  trans-116.515.1-169.800000113.5D12 W54 E69 E70 F86 K87D12-G72 PolarHBondContact OD1-N 3.34Å; D12-G72 VanDerWaalsContact OD1-N 3.1Å; D12-G72 PolarHBondContact OD2-N 3.45Å; W54-G72 WeakPolarHBondContact CZ3-O 3.31Å; E69-G72 WeakPolarHBondContact O-CA 3.34Å; E69-G72 PolarHBondContact O-N 2.9Å; E70-G72 PolarHBondContact O-N 3.14Å; G72-F86 CarbonylContact O-C 3.57Å; G72-F86 WeakPolarHBondContact O-CA 3.18Å; G72-K87 PolarHBondContact O-N 3.17Å
73F98.4Very high96.4Very high18 Ų1858.2 Ų58.28%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-136.7134.9-169.3174.2-80.3000113.7D10 S11 D12 M13 V66 H68 L84 L85 F86D10-F73 HydrophobicContact CB-CE1 3.98Å; S11-F73 VanDerWaalsContact CA-O 3.31Å; S11-F73 WeakPolarHBondContact CA-O 3.38Å; S11-F73 PolarHBondContact OG-O 3.36Å; D12-F73 PolarHBondContact N-O 2.93Å; D12-F73 VanDerWaalsContact N-O 3.08Å; D12-F73 VanDerWaalsContact OD1-CA 3.28Å; D12-F73 WeakPolarHBondContact OD1-CA 3.44Å; D12-F73 WeakPolarHBondContact OD1-CB 3.49Å; D12-F73 PolarHBondContact OD1-N 2.95Å; M13-F73 WeakPolarHBondContact CG-O 3.42Å; V66-F73 HydrophobicContact CG2-CD2 4.24Å; V66-F73 HydrophobicContact CG2-CE2 3.88Å; H68-F73 HydrophobicContact CB-CB 4.35Å; H68-F73 HydrophobicContact CB-CD2 4.47Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CD2-CG 3.95Å; H68-F73 AromaticContact CE1-CD2 3.62Å; H68-F73 AromaticContact CE1-CG 3.76Å; H68-F73 AromaticContact CG-CD2 3.83Å; H68-F73 AromaticContact ND1-CD2 3.48Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.25Å; H68-F73 AromaticContact ND1-CG 3.98Å; H68-F73 WeakPolarHBondContact NE2-CB 3.48Å; H68-F73 AromaticContact NE2-CG 3.74Å; F73-L84 HydrophobicContact CD2-CD1 4.14Å; F73-L84 HydrophobicContact CE2-CD1 3.41Å; F73-L84 VanDerWaalsContact CE2-CD1 3.41Å; F73-L84 HydrophobicContact CZ-CD1 3.68Å; F73-L85 WeakPolarHBondContact CA-O 3.3Å; F73-F86 HydrophobicContact CB-CB 4.34Å; F73-F86 HydrophobicContact CD2-CB 3.79Å; F73-F86 HydrophobicContact CG-CB 4.48Å
74V98.6Very high96.6Very high0 Ų054.4 Ų54.40%030%0.296CS..EExtended strand (participates in β ladder)trans-148.7135.3169.866.30000110.6V8 S11 M13 Q18 A21 F76 L85V8-V74 HydrophobicContact CG1-CG2 4.18Å; S11-V74 WeakPolarHBondContact OG-CG2 3.44Å; M13-V74 HydrophobicContact CE-CB 4.09Å; M13-V74 HydrophobicContact CE-CG1 3.69Å; M13-V74 HydrophobicContact CG-CB 4.49Å; M13-V74 HydrophobicContact SD-CB 3.69Å; M13-V74 HydrophobicContact SD-CG1 3.61Å; Q18-V74 HydrophobicContact CG-CG2 4.31Å; A21-V74 HydrophobicContact CB-CG1 4.01Å; V74-F76 HydrophobicContact CG1-CD1 4.14Å; V74-F76 HydrophobicContact CG1-CE1 4.08Å; V74-F76 HydrophobicContact CG2-CD1 3.78Å; V74-F76 HydrophobicContact CG2-CE1 4.45Å; V74-L85 HydrophobicContact CG1-CB 3.87Å; V74-L85 HydrophobicContact CG1-CD2 4.23Å; V74-L85 HydrophobicContact CG1-CG 4.48Å; V74-L85 PolarHBondContact N-O 3.43Å; V74-L85 PolarHBondContact O-N 3.37Å
75Y98.4Very high96.8Very high43 Ų4351.6 Ų51.617%0.16928%0.276CS..EExtended strand (participates in β ladder)trans-123.4120.8170.6176.4-127.4000109.8K9 D10 F62 F77 F83 L84K9-Y75 HydrophobicContact CB-CD1 3.52Å; K9-Y75 HydrophobicContact CB-CE1 3.83Å; K9-Y75 HydrophobicContact CB-CG 4.43Å; K9-Y75 HydrophobicContact CG-CD1 4.25Å; K9-Y75 HydrophobicContact CG-CE1 4.1Å; K9-Y75 PolarHBondContact N-O 2.83Å; D10-Y75 PolarHBondContact N-O 2.9Å; D10-Y75 PolarHBondContact O-N 3.01Å; F62-Y75 HydrophobicContact CE2-CD2 4.37Å; F62-Y75 AromaticContact CE2-CE2 3.82Å; F62-Y75 HydrophobicContact CE2-CE2 3.82Å; F62-Y75 HydrophobicContact CZ-CD2 4.34Å; F62-Y75 AromaticContact CZ-CE2 3.77Å; F62-Y75 HydrophobicContact CZ-CE2 3.77Å; Y75-F77 HydrophobicContact CE1-CE1 4.32Å; Y75-F77 HydrophobicContact CE1-CZ 4.36Å; Y75-F77 HydrophobicContact CE2-CE1 4.21Å; Y75-F77 AromaticContact CZ-CE1 3.64Å; Y75-F77 WeakPolarHBondContact OH-CE1 3.42Å; Y75-F77 WeakPolarHBondContact OH-CZ 3.34Å; Y75-F83 WeakPolarHBondContact CA-O 3.2Å; Y75-F83 WeakPolarHBondContact CD2-O 3.1Å; Y75-L84 HydrophobicContact CD2-CB 4.15Å; Y75-L84 HydrophobicContact CD2-CD1 4.35Å; Y75-L84 HydrophobicContact CG-CD1 4.46Å
76F97.8Very high97Very high0 Ų044.7 Ų44.70%024%0.238CC..EExtended strand (participates in β ladder)trans-146.5157.2-177.864.5-88.6000113A6 V7 V8 A21 V22 A25 V74 L78 F83A6-F76 HydrophobicContact CB-CD2 4.36Å; V7-F76 CarbonylContact O-C 3.52Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.42Å; V8-F76 HydrophobicContact CB-CB 4.4Å; V8-F76 HydrophobicContact CG2-CB 4.14Å; A21-F76 HydrophobicContact CB-CE1 4.23Å; V22-F76 HydrophobicContact CB-CE2 4.28Å; V22-F76 HydrophobicContact CB-CZ 4.47Å; V22-F76 HydrophobicContact CG1-CE2 4.46Å; V22-F76 HydrophobicContact CG2-CD1 4.27Å; V22-F76 HydrophobicContact CG2-CD2 3.8Å; V22-F76 HydrophobicContact CG2-CE1 4.24Å; V22-F76 HydrophobicContact CG2-CE2 3.78Å; V22-F76 HydrophobicContact CG2-CG 4.04Å; V22-F76 HydrophobicContact CG2-CZ 3.99Å; A25-F76 HydrophobicContact CB-CE2 3.84Å; A25-F76 HydrophobicContact CB-CZ 3.59Å; V74-F76 HydrophobicContact CG1-CD1 4.14Å; V74-F76 HydrophobicContact CG1-CE1 4.08Å; V74-F76 HydrophobicContact CG2-CD1 3.78Å; V74-F76 HydrophobicContact CG2-CE1 4.45Å; F76-L78 HydrophobicContact CD2-CB 4.24Å; F76-L78 HydrophobicContact CE2-CB 4.16Å; F76-F83 HydrophobicContact CD1-CB 4.14Å; F76-F83 HydrophobicContact CD2-CB 4.13Å; F76-F83 HydrophobicContact CD2-CD2 4.4Å; F76-F83 HydrophobicContact CE1-CB 3.72Å; F76-F83 HydrophobicContact CE2-CB 3.69Å; F76-F83 AromaticContact CE2-CD2 3.84Å; F76-F83 HydrophobicContact CE2-CD2 3.84Å; F76-F83 AromaticContact CE2-CG 3.82Å; F76-F83 HydrophobicContact CE2-CG 3.82Å; F76-F83 HydrophobicContact CG-CB 4.35Å; F76-F83 HydrophobicContact CZ-CB 3.49Å; F76-F83 VanDerWaalsContact CZ-CB 3.49Å; F76-F83 HydrophobicContact CZ-CD1 4.37Å; F76-F83 HydrophobicContact CZ-CD2 4.34Å; F76-F83 AromaticContact CZ-CG 3.84Å; F76-F83 HydrophobicContact CZ-CG 3.84Å; F76-F83 PolarHBondContact N-O 2.91Å; F76-F83 PolarHBondContact O-N 2.87Å
77F97.2Very high97.1Very high67 Ų6744.9 Ų44.929%0.29424%0.236SC..EExtended strand (participates in β ladder)trans-99.2138.3169.8-57.6-42.3000110.7A6 V7 K9 Y75 R81 S82A6-F77 CarbonylContact C-O 3.57Å; A6-F77 WeakPolarHBondContact CA-O 3.5Å; V7-F77 HydrophobicContact CB-CB 4.34Å; V7-F77 HydrophobicContact CB-CD2 4.43Å; V7-F77 PolarHBondContact N-O 3.41Å; V7-F77 PolarHBondContact O-N 3.48Å; K9-F77 HydrophobicContact CD-CD2 4.36Å; K9-F77 HydrophobicContact CD-CE2 4.05Å; K9-F77 HydrophobicContact CG-CD2 3.99Å; K9-F77 HydrophobicContact CG-CE2 3.71Å; K9-F77 HydrophobicContact CG-CZ 4.09Å; Y75-F77 HydrophobicContact CE1-CE1 4.32Å; Y75-F77 HydrophobicContact CE1-CZ 4.36Å; Y75-F77 HydrophobicContact CE2-CE1 4.21Å; Y75-F77 AromaticContact CZ-CE1 3.64Å; Y75-F77 WeakPolarHBondContact OH-CE1 3.42Å; Y75-F77 WeakPolarHBondContact OH-CZ 3.34Å; F77-R81 WeakPolarHBondContact CA-O 3.49Å; F77-S82 WeakPolarHBondContact CD1-OG 3.18Å; F77-S82 WeakPolarHBondContact CE1-OG 3.45Å
78L96.1Very high97Very high0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-141.7115.3172.6-178.263.9000109.1M1 A6 V22 A25 A26 M29 F76 D80 R81 F83M1-L78 HydrophobicContact CB-CD1 4.14Å; A6-L78 HydrophobicContact CB-CD1 4.26Å; V22-L78 HydrophobicContact CG1-CD1 4.45Å; V22-L78 HydrophobicContact CG1-CD2 4.43Å; A25-L78 HydrophobicContact CB-CD2 4.23Å; A26-L78 HydrophobicContact CB-CD2 3.8Å; M29-L78 HydrophobicContact SD-CB 4.22Å; M29-L78 HydrophobicContact SD-CD2 3.64Å; M29-L78 HydrophobicContact SD-CG 3.73Å; F76-L78 HydrophobicContact CD2-CB 4.24Å; F76-L78 HydrophobicContact CE2-CB 4.16Å; L78-D80 PolarHBondContact O-N 3.41Å; L78-R81 PolarHBondContact N-O 3.13Å; L78-R81 PolarHBondContact O-N 2.88Å; L78-R81 VanDerWaalsContact O-N 3.13Å; L78-F83 HydrophobicContact CB-CD2 4.24Å; L78-F83 HydrophobicContact CB-CE2 4.1Å
79G93.3Very high96.5Very high57 Ų5743.6 Ų43.659%0.58825%0.253SS*.THydrogen-bonded Turntrans62-127.1-174.200000111.9R81G79-R81 VanDerWaalsContact C-N 3.35Å
80D93.5Very high96.5Very high95 Ų9542.7 Ų42.751%0.50825%0.251SS..THydrogen-bonded Turntrans-96.117.317777-27000112.8K60 L78K60-D80 WeakPolarHBondContact CE-OD2 3.37Å; K60-D80 IonicContact NZ-OD2 3.86Å; L78-D80 PolarHBondContact O-N 3.41Å
81R95.8Very high96.6Very high34 Ų3435.5 Ų35.513%0.12822%0.22CC..EExtended strand (participates in β ladder)trans-125147.5-179.2-71.8-61.6-178.3-68.1-11.5112.7M29 D35 V58 F77 L78 G79 F83M29-R81 HydrophobicContact CE-CG 4.46Å; D35-R81 VanDerWaalsContact CG-NE 3.3Å; D35-R81 IonicContact OD1-CZ 2.74Å; D35-R81 IonicContact OD1-NE 3.2Å; D35-R81 PolarHBondContact OD1-NE 3.13Å; D35-R81 IonicContact OD1-NH2 3.43Å; D35-R81 PolarHBondContact OD1-NH2 3.38Å; D35-R81 IonicContact OD2-NE 2.81Å; D35-R81 PolarHBondContact OD2-NE 3.13Å; V58-R81 HydrophobicContact CG1-CB 4.24Å; V58-R81 HydrophobicContact CG1-CG 4.24Å; F77-R81 WeakPolarHBondContact CA-O 3.49Å; L78-R81 PolarHBondContact N-O 3.13Å; L78-R81 PolarHBondContact O-N 2.88Å; L78-R81 VanDerWaalsContact O-N 3.13Å; G79-R81 VanDerWaalsContact C-N 3.35Å; R81-F83 HydrophobicContact CB-CD2 4.27Å; R81-F83 HydrophobicContact CB-CE2 3.62Å; R81-F83 HydrophobicContact CB-CZ 4.3Å
82S97.8Very high96.6Very high6 Ų630.1 Ų30.14%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-104.5136169.4-440000108.2V58 G59 F62 F77V58-S82 WeakPolarHBondContact CA-O 3.42Å; G59-S82 PolarHBondContact N-O 3.37Å; G59-S82 VanDerWaalsContact N-O 3.09Å; G59-S82 WeakPolarHBondContact O-CB 3.49Å; G59-S82 PolarHBondContact O-N 2.87Å; G59-S82 PolarHBondContact O-OG 2.91Å; F62-S82 WeakPolarHBondContact CE1-O 3.34Å; F77-S82 WeakPolarHBondContact CD1-OG 3.18Å; F77-S82 WeakPolarHBondContact CE1-OG 3.45Å
83F98.6Very high96.6Very high0 Ų031.8 Ų31.80%021%0.209CC..EExtended strand (participates in β ladder)trans-120.1124.5178.7-71.5-101.9000108.2A25 M29 M38 L42 V58 Y75 F76 L78 R81A25-F83 HydrophobicContact CB-CD1 3.73Å; A25-F83 HydrophobicContact CB-CD2 4.48Å; A25-F83 HydrophobicContact CB-CE1 3.67Å; A25-F83 HydrophobicContact CB-CE2 4.42Å; A25-F83 HydrophobicContact CB-CG 4.18Å; A25-F83 HydrophobicContact CB-CZ 4.05Å; M29-F83 HydrophobicContact CG-CE2 4.28Å; M29-F83 HydrophobicContact CG-CZ 3.72Å; M29-F83 HydrophobicContact SD-CE2 3.8Å; M29-F83 HydrophobicContact SD-CZ 3.87Å; M38-F83 HydrophobicContact CB-CE1 4.42Å; M38-F83 HydrophobicContact SD-CZ 4.36Å; L42-F83 HydrophobicContact CD2-CD1 4.21Å; V58-F83 HydrophobicContact CB-CD1 4.42Å; V58-F83 HydrophobicContact CB-CE1 4.3Å; V58-F83 HydrophobicContact CG1-CD1 4.31Å; V58-F83 HydrophobicContact CG1-CE1 3.86Å; V58-F83 HydrophobicContact CG1-CE2 4.31Å; V58-F83 HydrophobicContact CG1-CZ 3.85Å; V58-F83 HydrophobicContact CG2-CD1 3.35Å; V58-F83 HydrophobicContact CG2-CE1 3.38Å; V58-F83 HydrophobicContact CG2-CG 4.16Å; V58-F83 HydrophobicContact CG2-CZ 4.23Å; Y75-F83 WeakPolarHBondContact CA-O 3.2Å; Y75-F83 WeakPolarHBondContact CD2-O 3.1Å; F76-F83 HydrophobicContact CD1-CB 4.14Å; F76-F83 HydrophobicContact CD2-CB 4.13Å; F76-F83 HydrophobicContact CD2-CD2 4.4Å; F76-F83 HydrophobicContact CE1-CB 3.72Å; F76-F83 HydrophobicContact CE2-CB 3.69Å; F76-F83 AromaticContact CE2-CD2 3.84Å; F76-F83 HydrophobicContact CE2-CD2 3.84Å; F76-F83 AromaticContact CE2-CG 3.82Å; F76-F83 HydrophobicContact CE2-CG 3.82Å; F76-F83 HydrophobicContact CG-CB 4.35Å; F76-F83 HydrophobicContact CZ-CB 3.49Å; F76-F83 VanDerWaalsContact CZ-CB 3.49Å; F76-F83 HydrophobicContact CZ-CD1 4.37Å; F76-F83 HydrophobicContact CZ-CD2 4.34Å; F76-F83 AromaticContact CZ-CG 3.84Å; F76-F83 HydrophobicContact CZ-CG 3.84Å; F76-F83 PolarHBondContact N-O 2.91Å; F76-F83 PolarHBondContact O-N 2.87Å; L78-F83 HydrophobicContact CB-CD2 4.24Å; L78-F83 HydrophobicContact CB-CE2 4.1Å; R81-F83 HydrophobicContact CB-CD2 4.27Å; R81-F83 HydrophobicContact CB-CE2 3.62Å; R81-F83 HydrophobicContact CB-CZ 4.3Å
84L98.7Very high96.5Very high0 Ų032.6 Ų32.60%022%0.217CC..EExtended strand (participates in β ladder)trans-115.2118.3167.9175.669000107.5C56 I57 F62 S64 V66 F73 Y75 F86C56-L84 CarbonylContact C-O 3.53Å; C56-L84 VanDerWaalsContact CA-O 3.26Å; C56-L84 WeakPolarHBondContact CA-O 3.37Å; I57-L84 HydrophobicContact CB-CB 4.31Å; I57-L84 HydrophobicContact CD1-CD2 4.22Å; I57-L84 PolarHBondContact N-O 3.13Å; I57-L84 PolarHBondContact O-N 2.87Å; F62-L84 HydrophobicContact CE2-CB 3.88Å; F62-L84 HydrophobicContact CE2-CD2 4.37Å; F62-L84 HydrophobicContact CZ-CB 3.84Å; S64-L84 VanDerWaalsContact CB-CD2 3.47Å; V66-L84 HydrophobicContact CG2-CD2 4.39Å; F73-L84 HydrophobicContact CD2-CD1 4.14Å; F73-L84 HydrophobicContact CE2-CD1 3.41Å; F73-L84 VanDerWaalsContact CE2-CD1 3.41Å; F73-L84 HydrophobicContact CZ-CD1 3.68Å; Y75-L84 HydrophobicContact CD2-CB 4.15Å; Y75-L84 HydrophobicContact CD2-CD1 4.35Å; Y75-L84 HydrophobicContact CG-CD1 4.46Å; L84-F86 HydrophobicContact CD2-CD1 4.11Å; L84-F86 HydrophobicContact CD2-CE1 4.1Å; L84-F86 HydrophobicContact CG-CD1 3.93Å; L84-F86 HydrophobicContact CG-CE1 4.34Å
85L98.8Very high96.3Very high0 Ų034.8 Ų34.80%023%0.231CC..EExtended strand (participates in β ladder)trans-122.2124.6176.7173.470.9000107.8M13 A21 L42 F46 W54 H55 C56 F73 V74M13-L85 HydrophobicContact CE-CD2 4.13Å; M13-L85 HydrophobicContact CE-CG 4.37Å; A21-L85 HydrophobicContact CB-CD2 4.11Å; L42-L85 HydrophobicContact CD1-CD2 4.18Å; L42-L85 HydrophobicContact CD2-CB 4.17Å; L42-L85 HydrophobicContact CD2-CD1 4.4Å; L42-L85 HydrophobicContact CD2-CD2 4.02Å; L42-L85 HydrophobicContact CD2-CG 4.43Å; L42-L85 HydrophobicContact CG-CD1 4.19Å; L42-L85 HydrophobicContact CG-CD2 3.99Å; F46-L85 HydrophobicContact CD1-CD2 3.7Å; F46-L85 HydrophobicContact CD2-CD2 3.69Å; F46-L85 HydrophobicContact CE1-CD2 3.69Å; F46-L85 HydrophobicContact CE2-CD2 3.71Å; F46-L85 HydrophobicContact CG-CD1 4.46Å; F46-L85 HydrophobicContact CG-CD2 3.72Å; F46-L85 HydrophobicContact CZ-CD2 3.71Å; W54-L85 HydrophobicContact CB-CD1 4.5Å; W54-L85 HydrophobicContact CE3-CD1 3.77Å; W54-L85 HydrophobicContact CE3-CD2 4.33Å; W54-L85 HydrophobicContact CE3-CG 3.79Å; W54-L85 HydrophobicContact CZ3-CD1 4.46Å; W54-L85 HydrophobicContact CZ3-CD2 4.31Å; W54-L85 HydrophobicContact CZ3-CG 3.99Å; H55-L85 WeakPolarHBondContact O-CA 3.5Å; C56-L85 HydrophobicContact CB-CD1 4Å; F73-L85 WeakPolarHBondContact CA-O 3.3Å; V74-L85 HydrophobicContact CG1-CB 3.87Å; V74-L85 HydrophobicContact CG1-CD2 4.23Å; V74-L85 HydrophobicContact CG1-CG 4.48Å; V74-L85 PolarHBondContact N-O 3.43Å; V74-L85 PolarHBondContact O-N 3.37Å
86F98.6Very high96.2Very high19 Ų1934.2 Ų34.28%0.08324%0.236CC..EExtended strand (participates in β ladder)trans-147.1151.5179.166.4-79.1000112.8H55 I57 V66 H68 G72 F73 L84H55-F86 HydrophobicContact CB-CD1 4.25Å; H55-F86 HydrophobicContact CB-CD2 4.41Å; H55-F86 HydrophobicContact CB-CE1 3.77Å; H55-F86 HydrophobicContact CB-CE2 3.94Å; H55-F86 HydrophobicContact CB-CZ 3.59Å; H55-F86 AromaticContact CD2-CE2 3.93Å; H55-F86 PolarHBondContact N-O 3.26Å; H55-F86 PolarHBondContact O-N 2.81Å; I57-F86 HydrophobicContact CD1-CE1 4.46Å; V66-F86 HydrophobicContact CB-CD2 4.38Å; V66-F86 HydrophobicContact CB-CE1 4.5Å; V66-F86 HydrophobicContact CB-CE2 4.07Å; V66-F86 HydrophobicContact CB-CZ 4.13Å; V66-F86 HydrophobicContact CG1-CE1 4.21Å; V66-F86 HydrophobicContact CG1-CE2 4.38Å; V66-F86 HydrophobicContact CG1-CZ 3.94Å; V66-F86 HydrophobicContact CG2-CD1 4.1Å; V66-F86 HydrophobicContact CG2-CD2 4.08Å; V66-F86 HydrophobicContact CG2-CE1 4.24Å; V66-F86 HydrophobicContact CG2-CE2 4.22Å; V66-F86 HydrophobicContact CG2-CG 4.01Å; V66-F86 HydrophobicContact CG2-CZ 4.3Å; H68-F86 HydrophobicContact CB-CB 4.03Å; H68-F86 HydrophobicContact CB-CD2 4.24Å; G72-F86 CarbonylContact O-C 3.57Å; G72-F86 WeakPolarHBondContact O-CA 3.18Å; F73-F86 HydrophobicContact CB-CB 4.34Å; F73-F86 HydrophobicContact CD2-CB 3.79Å; F73-F86 HydrophobicContact CG-CB 4.48Å; L84-F86 HydrophobicContact CD2-CD1 4.11Å; L84-F86 HydrophobicContact CD2-CE1 4.1Å; L84-F86 HydrophobicContact CG-CD1 3.93Å; L84-F86 HydrophobicContact CG-CE1 4.34Å
87K98.4Very high96Very high45 Ų4536.8 Ų36.820%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-101.2130.4175.9-161.4-175.8173.2-145.40110.3R52 W54 H68 E69 G72R52-K87 VanDerWaalsContact O-CE 3.23Å; R52-K87 WeakPolarHBondContact O-CE 3.47Å; W54-K87 HydrophobicContact CD2-CB 3.86Å; W54-K87 HydrophobicContact CD2-CD 4.49Å; W54-K87 HydrophobicContact CD2-CG 4.05Å; W54-K87 HydrophobicContact CE3-CB 3.86Å; W54-K87 HydrophobicContact CG-CG 4.33Å; W54-K87 HydrophobicContact CH2-CB 4.02Å; W54-K87 HydrophobicContact CZ2-CB 4.01Å; W54-K87 HydrophobicContact CZ2-CD 3.9Å; W54-K87 HydrophobicContact CZ2-CG 4.27Å; W54-K87 HydrophobicContact CZ3-CB 3.93Å; H68-K87 CarbonylContact C-O 3.33Å; H68-K87 VanDerWaalsContact CA-O 3.23Å; H68-K87 WeakPolarHBondContact CA-O 3.15Å; H68-K87 WeakPolarHBondContact CB-O 3.41Å; E69-K87 HydrophobicContact CB-CB 4.47Å; E69-K87 PolarHBondContact N-O 3.27Å; E69-K87 IonicContact OE1-NZ 3.76Å; E69-K87 WeakPolarHBondContact OE2-CD 3.37Å; E69-K87 VanDerWaalsContact OE2-CE 3.29Å; E69-K87 WeakPolarHBondContact OE2-CE 3.4Å; E69-K87 IonicContact OE2-NZ 2.73Å; E69-K87 PolarHBondContact OE2-NZ 2.74Å; G72-K87 PolarHBondContact O-N 3.17Å
88S95Very high95.9Very high44 Ų4434.3 Ų34.331%0.30825%0.251SS..  trans-159.2113.3-178.8-172.10000109.6T53 H55 S67T53-S88 WeakPolarHBondContact CB-O 3.27Å; T53-S88 PolarHBondContact O-N 2.83Å; H55-S88 PolarHBondContact NE2-O 3.2Å; S67-S88 PolarHBondContact O-OG 3.09Å
89G86.8Confident95.9Very high112 Ų11237.5 Ų37.5100%1.15527%0.273SS*.  trans-168.80179.700000114.3

Retrieved 89 of 89 residues in 22.8 ms (Link to these results)

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