A0A087XEU6_POEFO Loading...

F-box protein 2

AlphaFold DB , UniProt , Accession A0A087XEU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 175 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
1M57.7Low91.2Very high245 Ų24558.3 Ų58.3100%1.20729%0.291SS*.  0129.20-68.2179.1-173.600106.5
2A83.8Confident91.4Very high42 Ų4261.3 Ų61.335%0.34731%0.309SS..PPolyproline II helixtrans-65.6137.1175.300000109.5T172 V173 E174A2-T172 HydrophobicContact CB-CG2 4.39Å; A2-V173 WeakPolarHBondContact CB-O 3.45Å; A2-E174 HydrophobicContact CB-CG 4.15Å
3R94.4Very high91.6Very high120 Ų12065.6 Ų65.645%0.45333%0.327SS..PPolyproline II helixtrans-85.3153.2177.468.1179.8178.7100.8-6.1110.2L5 E68R3-L5 HydrophobicContact CG-CD2 4.09Å; R3-L5 PolarHBondContact O-N 3.3Å; R3-E68 IonicContact CZ-OE2 3.72Å; R3-E68 IonicContact NH1-OE2 3.18Å; R3-E68 PolarHBondContact NH1-OE2 2.96Å; R3-E68 PolarHBondContact NH2-O 3.15Å; R3-E68 IonicContact NH2-OE2 3.5Å; R3-E68 PolarHBondContact NH2-OE2 3.3Å
4N96.6Very high91.9Very high58 Ų5868.6 Ų68.631%0.3134%0.34SS..PPolyproline II helixtrans-68.4128.9169.6-168.44.4000109.6L6 S169 S170 V171N4-L6 PolarHBondContact OD1-N 3.01Å; N4-S169 PolarHBondContact ND2-O 3.3Å; N4-S170 WeakPolarHBondContact OD1-CA 3.42Å; N4-V171 PolarHBondContact OD1-N 3.38Å; N4-V171 PolarHBondContact OD1-O 2.95Å
5L97.5Very high92Very high3 Ų367.1 Ų67.12%0.01633%0.334CS..  trans-92.9-16.7177.5-58.6-178.7000112.5R3 I63 L65 E68 Y70 V171 V173R3-L5 HydrophobicContact CG-CD2 4.09Å; R3-L5 PolarHBondContact O-N 3.3Å; L5-I63 HydrophobicContact CB-CD1 3.89Å; L5-I63 HydrophobicContact CB-CG1 4.45Å; L5-I63 HydrophobicContact CB-CG2 4.01Å; L5-I63 HydrophobicContact CD1-CG2 4.18Å; L5-L65 HydrophobicContact CD1-CD2 3.76Å; L5-E68 HydrophobicContact CD2-CB 4.31Å; L5-E68 HydrophobicContact CD2-CG 4.35Å; L5-Y70 HydrophobicContact CD1-CE2 3.92Å; L5-Y70 HydrophobicContact CD2-CE2 3.98Å; L5-V171 PolarHBondContact N-O 3.05Å; L5-V173 HydrophobicContact CD1-CG2 3.69Å
6L97.3Very high92.2Very high9 Ų971.2 Ų71.25%0.04735%0.351CS..  trans-71.8131.6173.9-71.9177.3000111.2N4 W18 Q61 I63 F148 V171N4-L6 PolarHBondContact OD1-N 3.01Å; L6-W18 HydrophobicContact CD1-CH2 4.24Å; L6-W18 HydrophobicContact CD2-CH2 4.22Å; L6-Q61 VanDerWaalsContact CA-OE1 3.25Å; L6-Q61 HydrophobicContact CD2-CB 3.95Å; L6-Q61 HydrophobicContact CD2-CG 4.33Å; L6-I63 HydrophobicContact CD2-CD1 3.92Å; L6-I63 HydrophobicContact CD2-CG1 4.4Å; L6-I63 HydrophobicContact CG-CD1 4.4Å; L6-F148 HydrophobicContact CD1-CD1 4.03Å; L6-F148 HydrophobicContact CD1-CD2 4.29Å; L6-F148 HydrophobicContact CD1-CE1 4.16Å; L6-F148 HydrophobicContact CD1-CE2 4.37Å; L6-F148 HydrophobicContact CD1-CG 4.11Å; L6-F148 HydrophobicContact CD1-CZ 4.34Å; L6-F148 HydrophobicContact CD2-CB 4.14Å; L6-F148 HydrophobicContact CD2-CD1 4.35Å; L6-F148 HydrophobicContact CD2-CG 4.3Å; L6-V171 HydrophobicContact CD1-CG2 3.83Å; L6-V171 HydrophobicContact CD2-CG2 4.13Å; L6-V171 HydrophobicContact CG-CB 4.14Å; L6-V171 HydrophobicContact CG-CG2 3.72Å
7K97Very high92.3Very high111 Ų11170.5 Ų70.548%0.48336%0.355SS..SBendtrans-87.1141.8172.7-62.2175.4-175167.70109.8W18 Q61 E68K7-W18 PolarHBondContact O-NE1 2.58Å; K7-Q61 PolarHBondContact O-NE2 3.04Å; K7-Q61 VanDerWaalsContact O-NE2 3.11Å; K7-E68 IonicContact NZ-OE1 2.72Å
8N96Very high92.6Very high8 Ų867.6 Ų67.64%0.04334%0.339CS..SBendtrans48.856.3179.1-175.529.4000114.1S10 G11 N12 E13 Q14 E16 W18N8-S10 VanDerWaalsContact C-N 3.26Å; N8-S10 PolarHBondContact O-N 3.47Å; N8-G11 VanDerWaalsContact OD1-C 3.29Å; N8-G11 WeakPolarHBondContact OD1-CA 3.29Å; N8-G11 PolarHBondContact OD1-N 3.31Å; N8-G11 VanDerWaalsContact OD1-N 3.17Å; N8-N12 PolarHBondContact OD1-N 3.35Å; N8-E13 HydrophobicContact CB-CB 4.44Å; N8-E13 PolarHBondContact OD1-N 2.82Å; N8-E13 VanDerWaalsContact OD1-N 3.12Å; N8-Q14 PolarHBondContact ND2-O 2.87Å; N8-E16 WeakPolarHBondContact CB-O 3.38Å; N8-E16 PolarHBondContact ND2-O 2.8Å; N8-W18 PolarHBondContact O-NE1 2.82Å
9P95.9Very high92.9Very high34 Ų3469.1 Ų69.122%0.22135%0.345CS..THydrogen-bonded Turntrans-71.3-16.1-173.629.9-37.4000114.6G168 S169P9-G168 PolarHBondContact O-N 3.37Å; P9-G168 VanDerWaalsContact O-N 3.16Å; P9-S169 WeakPolarHBondContact CB-O 3.31Å
10S94Very high93.1Very high11 Ų1169 Ų698%0.07735%0.345CS..THydrogen-bonded Turntrans-119.31.1-176.2-56.90000114.5N8 K48 T167N8-S10 VanDerWaalsContact C-N 3.26Å; N8-S10 PolarHBondContact O-N 3.47Å; S10-K48 CarbonylContact O-C 3.58Å; S10-K48 VanDerWaalsContact O-C 3.23Å; S10-K48 WeakPolarHBondContact O-CB 3.37Å; S10-T167 WeakPolarHBondContact CA-OG1 3.2Å; S10-T167 WeakPolarHBondContact CB-OG1 2.97Å; S10-T167 PolarHBondContact OG-OG1 2.76Å
11G93.6Very high93.2Very high0 Ų067.5 Ų67.50%034%0.34CS..SBendtrans82.816.9178.400000115.1N8 E13 Q14 V30N8-G11 VanDerWaalsContact OD1-C 3.29Å; N8-G11 WeakPolarHBondContact OD1-CA 3.29Å; N8-G11 PolarHBondContact OD1-N 3.31Å; N8-G11 VanDerWaalsContact OD1-N 3.17Å; G11-E13 PolarHBondContact O-N 3.5Å; G11-Q14 PolarHBondContact O-N 3.27Å; G11-V30 WeakPolarHBondContact O-CG1 3.49Å
12N92.9Very high95.1Very high94 Ų9460.6 Ų60.650%0.50331%0.305SS..THydrogen-bonded Turntrans-57.5-32.5175.3-74.5-37.5000112.3N8N8-N12 PolarHBondContact OD1-N 3.35Å
13E94.6Very high95.6Very high118 Ų11861 Ų6155%0.55130%0.301SS*.THydrogen-bonded Turntrans-105.535178.1-59.6172.5107.900111N8 G11 L15 E16N8-E13 HydrophobicContact CB-CB 4.44Å; N8-E13 PolarHBondContact OD1-N 2.82Å; N8-E13 VanDerWaalsContact OD1-N 3.12Å; G11-E13 PolarHBondContact O-N 3.5Å; E13-L15 PolarHBondContact O-N 3.21Å; E13-E16 HydrophobicContact CB-CB 3.97Å; E13-E16 HydrophobicContact CB-CG 4.35Å; E13-E16 VanDerWaalsContact O-CB 3.24Å; E13-E16 WeakPolarHBondContact O-CB 3.44Å; E13-E16 WeakPolarHBondContact O-CG 3.35Å; E13-E16 PolarHBondContact O-N 3.08Å; E13-E16 VanDerWaalsContact O-N 3.08Å
14Q95.1Very high95.7Very high107 Ų10756 Ų5650%0.529%0.287SS..THydrogen-bonded Turntrans55.8-126.8-174.4-58.7-63.1-36.600110.5N8 G11 F50N8-Q14 PolarHBondContact ND2-O 2.87Å; G11-Q14 PolarHBondContact O-N 3.27Å; Q14-F50 VanDerWaalsContact O-CE1 3.22Å; Q14-F50 WeakPolarHBondContact O-CE1 3.43Å
15L93.7Very high95.6Very high47 Ų4754.6 Ų54.625%0.24629%0.286CS..THydrogen-bonded Turntrans-98.712.5178.1-65.7164.9000113E13 W18 L20 W28 F50 K59E13-L15 PolarHBondContact O-N 3.21Å; L15-W18 PolarHBondContact O-N 3.33Å; L15-W18 VanDerWaalsContact O-N 3.16Å; L15-L20 HydrophobicContact CD1-CD1 4.12Å; L15-L20 HydrophobicContact CD1-CD2 4.31Å; L15-L20 HydrophobicContact CD2-CD2 4.18Å; L15-W28 HydrophobicContact CD1-CB 3.77Å; L15-W28 HydrophobicContact CD2-CB 3.97Å; L15-W28 HydrophobicContact CD2-CG 4.32Å; L15-W28 HydrophobicContact CG-CB 4.5Å; L15-F50 HydrophobicContact CD2-CD1 3.66Å; L15-F50 HydrophobicContact CD2-CE1 3.72Å; L15-K59 HydrophobicContact CD2-CD 4.29Å
16E95.5Very high95.6Very high132 Ų13257 Ų5762%0.61730%0.299SS*.THydrogen-bonded Turntrans-56.4143.9177.2-71.5-67.8141.600111.1N8 E13 W18N8-E16 WeakPolarHBondContact CB-O 3.38Å; N8-E16 PolarHBondContact ND2-O 2.8Å; E13-E16 HydrophobicContact CB-CB 3.97Å; E13-E16 HydrophobicContact CB-CG 4.35Å; E13-E16 VanDerWaalsContact O-CB 3.24Å; E13-E16 WeakPolarHBondContact O-CB 3.44Å; E13-E16 WeakPolarHBondContact O-CG 3.35Å; E13-E16 PolarHBondContact O-N 3.08Å; E13-E16 VanDerWaalsContact O-N 3.08Å; E16-W18 PolarHBondContact O-N 2.81Å
17S94.3Very high95.6Very high60 Ų6061.6 Ų61.642%0.4232%0.32SS..THydrogen-bonded Turntrans66.43.7-175.1-500000116.4Q61S17-Q61 PolarHBondContact O-NE2 2.98Å
18W97.2Very high95.6Very high17 Ų1757.1 Ų57.16%0.06430%0.3CS..  trans-107129174-68.794.7000111.1L6 K7 N8 L15 E16 F50 K59 Q61 F148L6-W18 HydrophobicContact CD1-CH2 4.24Å; L6-W18 HydrophobicContact CD2-CH2 4.22Å; K7-W18 PolarHBondContact O-NE1 2.58Å; N8-W18 PolarHBondContact O-NE1 2.82Å; L15-W18 PolarHBondContact O-N 3.33Å; L15-W18 VanDerWaalsContact O-N 3.16Å; E16-W18 PolarHBondContact O-N 2.81Å; W18-F50 AromaticContact NE1-CZ 3.87Å; W18-K59 HydrophobicContact CB-CB 4.34Å; W18-K59 HydrophobicContact CB-CD 4.24Å; W18-K59 HydrophobicContact CD2-CD 3.95Å; W18-K59 HydrophobicContact CD2-CG 4.19Å; W18-K59 HydrophobicContact CE3-CB 4.15Å; W18-K59 HydrophobicContact CE3-CD 4.01Å; W18-K59 HydrophobicContact CE3-CG 3.72Å; W18-K59 HydrophobicContact CG-CD 4.03Å; W18-K59 HydrophobicContact CZ3-CG 4.23Å; W18-Q61 HydrophobicContact CE3-CB 4Å; W18-Q61 HydrophobicContact CH2-CB 4.43Å; W18-Q61 HydrophobicContact CZ3-CB 3.93Å; W18-F148 AromaticContact CH2-CD1 3.78Å; W18-F148 HydrophobicContact CH2-CD1 3.78Å; W18-F148 AromaticContact CH2-CE1 3.85Å; W18-F148 HydrophobicContact CH2-CE1 3.85Å; W18-F148 AromaticContact CZ3-CD1 3.87Å; W18-F148 HydrophobicContact CZ3-CD1 3.87Å; W18-F148 HydrophobicContact CZ3-CE1 4.19Å
19E97.6Very high95.7Very high97 Ų9760.4 Ų60.445%0.45331%0.314SS..EExtended strand (participates in β ladder)trans-82.1123.2168.2-176.6-170.1-177.200108.7T21 K59 R60E19-T21 HydrophobicContact CG-CG2 4.46Å; E19-T21 PolarHBondContact O-N 3.23Å; E19-K59 CarbonylContact O-C 3.49Å; E19-K59 VanDerWaalsContact O-CA 3.25Å; E19-K59 WeakPolarHBondContact O-CA 3.3Å; E19-R60 WeakPolarHBondContact CB-O 3.33Å; E19-R60 PolarHBondContact N-O 2.92Å; E19-R60 PolarHBondContact O-N 2.94Å; E19-R60 IonicContact OE1-CZ 2.68Å; E19-R60 IonicContact OE1-NH2 3.28Å; E19-R60 PolarHBondContact OE1-NH2 2.84Å; E19-R60 IonicContact OE2-CZ 3.92Å; E19-R60 VanDerWaalsContact OE2-CZ 3.28Å; E19-R60 IonicContact OE2-NE 3.79Å; E19-R60 PolarHBondContact OE2-NE 2.93Å; E19-R60 IonicContact OE2-NH2 2.94Å; E19-R60 PolarHBondContact OE2-NH2 2.84Å
20L97.2Very high95.7Very high66 Ų6659.6 Ų59.635%0.34631%0.309SS..EExtended strand (participates in β ladder)trans-86.9101.6176.8-51.6-177.7000108.8L15 K59L15-L20 HydrophobicContact CD1-CD1 4.12Å; L15-L20 HydrophobicContact CD1-CD2 4.31Å; L15-L20 HydrophobicContact CD2-CD2 4.18Å; L20-K59 HydrophobicContact CD2-CB 3.88Å
21T96.2Very high95.8Very high38 Ų3860.8 Ų60.823%0.23331%0.313CS..EExtended strand (participates in β ladder)trans-78.3-35.9178.647.70000111.2E19 L58 R60 E149E19-T21 HydrophobicContact CG-CG2 4.46Å; E19-T21 PolarHBondContact O-N 3.23Å; T21-L58 PolarHBondContact N-O 2.86Å; T21-L58 VanDerWaalsContact N-O 3.1Å; T21-L58 VanDerWaalsContact OG1-CB 3.25Å; T21-L58 WeakPolarHBondContact OG1-CB 3.49Å; T21-L58 PolarHBondContact OG1-O 2.85Å; T21-R60 HydrophobicContact CG2-CB 3.92Å; T21-E149 WeakPolarHBondContact CB-OE2 3.5Å; T21-E149 VanDerWaalsContact CG2-OE2 3.28Å; T21-E149 WeakPolarHBondContact CG2-OE2 3.37Å; T21-E149 PolarHBondContact OG1-OE2 3.11Å
22E96.5Very high95.8Very high100 Ų10065.9 Ų65.947%0.46734%0.34SS..EExtended strand (participates in β ladder)trans-135141.3170.6-65.9-70.7127.800110L56 C57 L58E22-L56 HydrophobicContact CB-CG 4.32Å; E22-L56 HydrophobicContact CG-CD2 4.19Å; E22-L56 HydrophobicContact CG-CG 4.44Å; E22-C57 CarbonylContact O-C 3.5Å; E22-C57 WeakPolarHBondContact O-CA 3.45Å; E22-L58 HydrophobicContact CB-CB 3.92Å; E22-L58 HydrophobicContact CB-CD1 4.36Å; E22-L58 HydrophobicContact CB-CG 4.13Å; E22-L58 HydrophobicContact CG-CB 4.31Å; E22-L58 HydrophobicContact CG-CD1 3.97Å; E22-L58 HydrophobicContact CG-CG 4.29Å; E22-L58 PolarHBondContact N-O 2.83Å; E22-L58 PolarHBondContact O-N 3Å
23N95.6Very high95.7Very high51 Ų5163.2 Ų63.227%0.27333%0.325SS..EExtended strand (participates in β ladder)trans-148.455.8-175.6-160.730.1000111.7Q27 W28N23-Q27 WeakPolarHBondContact ND2-CG 3.42Å; N23-Q27 WeakPolarHBondContact OD1-CA 3.29Å; N23-Q27 WeakPolarHBondContact OD1-CB 3.36Å; N23-W28 PolarHBondContact OD1-N 3.11Å
24G94.6Very high95.3Very high16 Ų1661.5 Ų61.517%0.16533%0.325CS..  trans-74.8171.6-176.400000114.8N26 Q27 L56 C57G24-N26 PolarHBondContact O-N 3.19Å; G24-Q27 WeakPolarHBondContact O-CA 3.4Å; G24-Q27 PolarHBondContact O-N 3.06Å; G24-L56 PolarHBondContact N-O 3.4Å; G24-C57 PolarHBondContact O-SG 3.17Å; G24-C57 VanDerWaalsContact O-SG 3.38Å
25G95.9Very high94.8Very high28 Ų2857 Ų5729%0.28931%0.307SS..THydrogen-bonded Turntrans59.3-133.1175.600000112.9Q27 F54 E55G25-Q27 PolarHBondContact O-N 2.91Å; G25-F54 VanDerWaalsContact CA-CZ 3.46Å; G25-E55 PolarHBondContact N-OE2 2.91Å
26N96.6Very high94.4Very high52 Ų5260.6 Ų60.628%0.27833%0.326SS..THydrogen-bonded Turntrans-78.213.8173.2-66.989000113.7G24 S53 F54 G160 W161G24-N26 PolarHBondContact O-N 3.19Å; N26-S53 WeakPolarHBondContact CB-OG 3.38Å; N26-S53 PolarHBondContact N-OG 3.14Å; N26-F54 VanDerWaalsContact OD1-CE1 3.23Å; N26-F54 WeakPolarHBondContact OD1-CE1 3.44Å; N26-G160 PolarHBondContact OD1-N 3.44Å; N26-W161 HydrophobicContact CB-CH2 4.24Å; N26-W161 HydrophobicContact CB-CZ2 3.7Å; N26-W161 WeakPolarHBondContact O-CZ2 3.25Å; N26-W161 PolarHBondContact O-NE1 3.48Å
27Q97.3Very high93.8Very high107 Ų10757 Ų5750%0.532%0.316SS..  trans66.2175.4177.6-56.4180-0.800113.5N23 G24 G25 W161N23-Q27 WeakPolarHBondContact ND2-CG 3.42Å; N23-Q27 WeakPolarHBondContact OD1-CA 3.29Å; N23-Q27 WeakPolarHBondContact OD1-CB 3.36Å; G24-Q27 WeakPolarHBondContact O-CA 3.4Å; G24-Q27 PolarHBondContact O-N 3.06Å; G25-Q27 PolarHBondContact O-N 2.91Å; Q27-W161 PolarHBondContact O-NE1 2.85Å
28W97.2Very high93.1Very high16 Ų1655.4 Ų55.46%0.06131%0.308CS..  trans-61.2141169.1-77.1102.9000111.9L15 N23 F50 T52 C57 K59 V166L15-W28 HydrophobicContact CD1-CB 3.77Å; L15-W28 HydrophobicContact CD2-CB 3.97Å; L15-W28 HydrophobicContact CD2-CG 4.32Å; L15-W28 HydrophobicContact CG-CB 4.5Å; N23-W28 PolarHBondContact OD1-N 3.11Å; W28-F50 HydrophobicContact CE3-CB 3.77Å; W28-F50 HydrophobicContact CZ3-CB 3.58Å; W28-T52 HydrophobicContact CD2-CG2 4.22Å; W28-T52 HydrophobicContact CE3-CG2 3.81Å; W28-T52 HydrophobicContact CH2-CG2 3.18Å; W28-T52 HydrophobicContact CZ2-CG2 3.61Å; W28-T52 HydrophobicContact CZ3-CG2 3.28Å; W28-C57 HydrophobicContact CD2-CB 4.11Å; W28-C57 HydrophobicContact CG-CB 4.34Å; W28-C57 HydrophobicContact CZ2-CB 4.02Å; W28-C57 WeakPolarHBondContact CZ2-O 3.42Å; W28-K59 HydrophobicContact CD2-CD 4.46Å; W28-K59 HydrophobicContact CH2-CD 4.39Å; W28-K59 HydrophobicContact CH2-CG 4.43Å; W28-K59 HydrophobicContact CZ2-CB 4.33Å; W28-K59 HydrophobicContact CZ2-CD 4.14Å; W28-K59 HydrophobicContact CZ2-CG 3.91Å; W28-V166 HydrophobicContact CH2-CG2 3.94Å; W28-V166 HydrophobicContact CZ3-CG2 3.96Å
29K97.4Very high92.4Very high77 Ų7757.3 Ų57.334%0.33532%0.318SS..EExtended strand (participates in β ladder)trans-132.7151169.3-177.7-179.5177-1590110E31 F50 V51 W161K29-E31 HydrophobicContact CD-CG 4.08Å; K29-E31 VanDerWaalsContact CE-OE1 3.29Å; K29-E31 WeakPolarHBondContact CE-OE1 3.34Å; K29-E31 HydrophobicContact CG-CG 4.12Å; K29-E31 IonicContact NZ-OE1 2.7Å; K29-E31 PolarHBondContact NZ-OE1 3.25Å; K29-F50 CarbonylContact O-C 3.23Å; K29-F50 WeakPolarHBondContact O-CA 3.4Å; K29-V51 HydrophobicContact CB-CG1 3.95Å; K29-V51 PolarHBondContact N-O 2.87Å; K29-V51 VanDerWaalsContact N-O 3.11Å; K29-V51 WeakPolarHBondContact O-CG1 3.3Å; K29-V51 PolarHBondContact O-N 2.84Å; K29-W161 HydrophobicContact CB-CD2 4.19Å; K29-W161 HydrophobicContact CB-CG 4.14Å; K29-W161 HydrophobicContact CB-CZ2 4.26Å; K29-W161 VanDerWaalsContact CB-NE1 3.3Å; K29-W161 HydrophobicContact CD-CD2 3.58Å; K29-W161 HydrophobicContact CD-CE3 3.87Å; K29-W161 HydrophobicContact CD-CG 4.09Å; K29-W161 HydrophobicContact CD-CH2 4.1Å; K29-W161 HydrophobicContact CD-CZ2 3.82Å; K29-W161 HydrophobicContact CD-CZ3 4.13Å
30V97.4Very high91.8Very high18 Ų1859 Ų5911%0.10933%0.33CS..EExtended strand (participates in β ladder)trans-104.3132.8168.9179.30000108.8G11 K48 Y49 F50G11-V30 WeakPolarHBondContact O-CG1 3.49Å; V30-K48 HydrophobicContact CG1-CB 4.19Å; V30-K48 HydrophobicContact CG1-CD 4Å; V30-K48 HydrophobicContact CG1-CG 4.45Å; V30-Y49 WeakPolarHBondContact CA-O 3.5Å; V30-F50 HydrophobicContact CG2-CD1 3.6Å; V30-F50 HydrophobicContact CG2-CE1 3.8Å
31E96.1Very high91.3Very high36 Ų3657.1 Ų57.117%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-129.4156.3178.5-62.8-171.3152.400110.5K29 K48 Y49 V51K29-E31 HydrophobicContact CD-CG 4.08Å; K29-E31 VanDerWaalsContact CE-OE1 3.29Å; K29-E31 WeakPolarHBondContact CE-OE1 3.34Å; K29-E31 HydrophobicContact CG-CG 4.12Å; K29-E31 IonicContact NZ-OE1 2.7Å; K29-E31 PolarHBondContact NZ-OE1 3.25Å; E31-K48 VanDerWaalsContact O-CA 3.31Å; E31-K48 WeakPolarHBondContact O-CA 3.12Å; E31-Y49 HydrophobicContact CB-CE1 4.14Å; E31-Y49 HydrophobicContact CB-CE2 3.82Å; E31-Y49 WeakPolarHBondContact CB-OH 3.36Å; E31-Y49 PolarHBondContact N-O 2.83Å; E31-Y49 PolarHBondContact O-N 3.24Å; E31-Y49 PolarHBondContact OE2-OH 2.79Å; E31-V51 HydrophobicContact CG-CG1 4.06Å
32D93.9Very high90.8Very high106 Ų10659.9 Ų59.957%0.56734%0.339SS*.EExtended strand (participates in β ladder)trans-81.7148.2176.4-61.3-66.3000110.8P34 T47 K48 Y49D32-P34 CarbonylContact O-C 3.51Å; D32-T47 CarbonylContact C-O 3.59Å; D32-T47 WeakPolarHBondContact CA-O 3.23Å; D32-K48 WeakPolarHBondContact OD1-CE 3.32Å; D32-K48 WeakPolarHBondContact OD1-CG 3.26Å; D32-Y49 VanDerWaalsContact O-CE1 3.32Å; D32-Y49 WeakPolarHBondContact O-CE1 3.41Å
33M90.3Very high90.2Very high38 Ų3858.3 Ų58.319%0.18733%0.333CS..SBendtrans-80.3145.7172.2-72.1-81.6-15700111.3F41 V46 T47 Y49 W129 T167M33-F41 HydrophobicContact CE-CB 3.51Å; M33-F41 HydrophobicContact CE-CD2 3.99Å; M33-F41 HydrophobicContact CE-CG 3.77Å; M33-F41 HydrophobicContact SD-CB 4.08Å; M33-V46 HydrophobicContact CE-CG1 4.37Å; M33-T47 PolarHBondContact N-O 2.82Å; M33-Y49 HydrophobicContact CE-CD1 4.07Å; M33-Y49 HydrophobicContact CG-CD1 3.82Å; M33-Y49 HydrophobicContact CG-CE1 4.36Å; M33-Y49 HydrophobicContact SD-CD1 3.61Å; M33-Y49 HydrophobicContact SD-CE1 4.11Å; M33-W129 HydrophobicContact CE-CH2 3.72Å; M33-W129 HydrophobicContact CE-CZ2 3.12Å; M33-W129 HydrophobicContact SD-CZ2 3.71Å; M33-T167 HydrophobicContact CE-CG2 3.76Å
34P86.6Confident89.6Confident83 Ų8365 Ų6554%0.53936%0.363SS..SBendcis-75.1146.6-13.331.5-33.6000111D32D32-P34 CarbonylContact O-C 3.51Å
35G84.9Confident89.3Confident13 Ų1372.2 Ų72.213%0.13439%0.393CS..PPolyproline II helixtrans-74158.4174.900000114C37 G38 Y49G35-C37 PolarHBondContact O-N 2.96Å; G35-G38 WeakPolarHBondContact O-CA 3.48Å; G35-G38 PolarHBondContact O-N 3.24Å; G35-Y49 WeakPolarHBondContact CA-OH 3.46Å
36D83.9Confident89Confident121 Ų12171.7 Ų71.765%0.64738%0.384SS*.THydrogen-bonded Turntrans-54.5132.4171-76.5-25.3000110.8G38 R90 R165D36-G38 PolarHBondContact O-N 3.44Å; D36-R90 PolarHBondContact O-NH1 2.72Å; D36-R165 PolarHBondContact O-NH1 2.93Å; D36-R165 PolarHBondContact O-NH2 3.48Å
37C83.4Confident88.8Confident58 Ų5872.6 Ų72.639%0.39239%0.391SS..THydrogen-bonded Turntrans51.528.4-176.1-60.20000112.8G35 R90 T91G35-C37 PolarHBondContact O-N 2.96Å; C37-R90 HydrophobicContact CB-CB 4.45Å; C37-R90 WeakPolarHBondContact O-CA 3.37Å; C37-T91 WeakPolarHBondContact CB-OG1 3.32Å; C37-T91 PolarHBondContact O-N 3.36Å; C37-T91 PolarHBondContact O-OG1 2.57Å
38G80Confident88.7Confident26 Ų2669.5 Ų69.527%0.26838%0.376SS..  trans-105.4176.7-17800000113.1G35 D36G35-G38 WeakPolarHBondContact O-CA 3.48Å; G35-G38 PolarHBondContact O-N 3.24Å; D36-G38 PolarHBondContact O-N 3.44Å
39H82.8Confident88.7Confident56 Ų5668.8 Ų68.826%0.25937%0.374SS..  trans-109.8148.8177.5-61.3-92.2000109.9C127 S128 W129H39-C127 VanDerWaalsContact CD2-C 3.46Å; H39-C127 PolarHBondContact CD2-O 2.92Å; H39-C127 VanDerWaalsContact CD2-O 3.24Å; H39-S128 VanDerWaalsContact CD2-CA 3.49Å; H39-S128 WeakPolarHBondContact CD2-CA 3.14Å; H39-S128 PolarHBondContact NE2-N 3.33Å; H39-W129 PolarHBondContact O-NE1 2.83Å
40D84.8Confident88.7Confident132 Ų13265.1 Ų65.171%0.70636%0.358SS*.  trans-62.7142171.2-66.3-43.2000110.4
41F86.9Confident88.7Confident27 Ų2764.3 Ų64.312%0.11835%0.353CS..  trans-84.9146.4175.5-165.5-114.5000110.7M33 N43 V46 W86 W129 T167M33-F41 HydrophobicContact CE-CB 3.51Å; M33-F41 HydrophobicContact CE-CD2 3.99Å; M33-F41 HydrophobicContact CE-CG 3.77Å; M33-F41 HydrophobicContact SD-CB 4.08Å; F41-N43 HydrophobicContact CD1-CB 3.82Å; F41-N43 WeakPolarHBondContact CD1-O 3.43Å; F41-N43 HydrophobicContact CE1-CB 3.74Å; F41-N43 PolarHBondContact O-N 3.42Å; F41-N43 VanDerWaalsContact O-N 3.13Å; F41-V46 HydrophobicContact CD1-CB 3.65Å; F41-V46 HydrophobicContact CD1-CG1 4.03Å; F41-V46 HydrophobicContact CD1-CG2 4.09Å; F41-V46 HydrophobicContact CE1-CB 3.8Å; F41-V46 HydrophobicContact CE1-CG1 4.1Å; F41-V46 HydrophobicContact CE1-CG2 3.73Å; F41-W86 HydrophobicContact CE2-CB 3.77Å; F41-W86 AromaticContact CE2-CD2 3.6Å; F41-W86 HydrophobicContact CE2-CD2 3.6Å; F41-W86 AromaticContact CE2-CE3 3.78Å; F41-W86 HydrophobicContact CE2-CE3 3.78Å; F41-W86 AromaticContact CE2-CG 3.63Å; F41-W86 HydrophobicContact CE2-CG 3.63Å; F41-W86 HydrophobicContact CZ-CB 4.12Å; F41-W86 AromaticContact CZ-CD1 3.8Å; F41-W86 AromaticContact CZ-CD2 3.72Å; F41-W86 HydrophobicContact CZ-CD2 3.72Å; F41-W86 AromaticContact CZ-CE2 3.92Å; F41-W86 HydrophobicContact CZ-CE3 4.31Å; F41-W86 AromaticContact CZ-CG 3.63Å; F41-W86 HydrophobicContact CZ-CG 3.63Å; F41-W86 AromaticContact CZ-NE1 3.93Å; F41-W129 HydrophobicContact CD2-CB 4.07Å; F41-W129 AromaticContact CD2-CD1 3.86Å; F41-W129 AromaticContact CD2-CD2 3.55Å; F41-W129 HydrophobicContact CD2-CD2 3.55Å; F41-W129 AromaticContact CD2-CE2 3.88Å; F41-W129 HydrophobicContact CD2-CE3 4.01Å; F41-W129 AromaticContact CD2-CG 3.57Å; F41-W129 HydrophobicContact CD2-CG 3.57Å; F41-W129 HydrophobicContact CE2-CB 4.32Å; F41-W129 AromaticContact CE2-CD2 4Å; F41-W129 HydrophobicContact CE2-CD2 4Å; F41-W129 HydrophobicContact CE2-CE3 4.01Å; F41-W129 HydrophobicContact CE2-CG 4.15Å; F41-T167 HydrophobicContact CD2-CG2 4.29Å; F41-T167 HydrophobicContact CE2-CG2 3.99Å; F41-T167 HydrophobicContact CZ-CG2 4.14Å
42C84Confident88.8Confident97 Ų9762.6 Ų62.666%0.65534%0.344SS*.SBendtrans-72.5-3.6-176.463.40000114.5W86C42-W86 VanDerWaalsContact SG-CH2 3.54Å
43N85.4Confident88.9Confident66 Ų6657.5 Ų57.535%0.35332%0.317SS..  trans-127114.5177.4-175.6-2.5000111F41 E45 V46F41-N43 HydrophobicContact CD1-CB 3.82Å; F41-N43 WeakPolarHBondContact CD1-O 3.43Å; F41-N43 HydrophobicContact CE1-CB 3.74Å; F41-N43 PolarHBondContact O-N 3.42Å; F41-N43 VanDerWaalsContact O-N 3.13Å; N43-E45 PolarHBondContact O-N 2.79Å; N43-E45 WeakPolarHBondContact OD1-CB 3.31Å; N43-E45 PolarHBondContact OD1-N 2.92Å; N43-V46 HydrophobicContact CB-CG2 4.36Å; N43-V46 PolarHBondContact O-N 3.36Å; N43-V46 VanDerWaalsContact O-N 3.13Å
44E83.3Confident89.1Confident191 Ų19157.7 Ų57.789%0.89332%0.317SS*.THydrogen-bonded Turntrans-66-18.7-179.1-61.5-176.116200113.7V46E44-V46 PolarHBondContact O-N 3.04Å
45E86.6Confident89.5Confident168 Ų16858.4 Ų58.479%0.78531%0.313SS*.THydrogen-bonded Turntrans-72.7-19.1175.9-61-177.2160.500112.6N43 T47N43-E45 PolarHBondContact O-N 2.79Å; N43-E45 WeakPolarHBondContact OD1-CB 3.31Å; N43-E45 PolarHBondContact OD1-N 2.92Å; E45-T47 PolarHBondContact O-N 3.05Å
46V90.3Very high90.1Very high18 Ų1860.1 Ų60.111%0.10932%0.319CS..  trans-93.5101.2178.5179.40000109.2M33 F41 N43 E44 T167M33-V46 HydrophobicContact CE-CG1 4.37Å; F41-V46 HydrophobicContact CD1-CB 3.65Å; F41-V46 HydrophobicContact CD1-CG1 4.03Å; F41-V46 HydrophobicContact CD1-CG2 4.09Å; F41-V46 HydrophobicContact CE1-CB 3.8Å; F41-V46 HydrophobicContact CE1-CG1 4.1Å; F41-V46 HydrophobicContact CE1-CG2 3.73Å; N43-V46 HydrophobicContact CB-CG2 4.36Å; N43-V46 PolarHBondContact O-N 3.36Å; N43-V46 VanDerWaalsContact O-N 3.13Å; E44-V46 PolarHBondContact O-N 3.04Å; V46-T167 HydrophobicContact CG1-CG2 3.85Å; V46-T167 WeakPolarHBondContact CG1-OG1 3.43Å
47T92.1Very high90.8Very high71 Ų7154.3 Ų54.344%0.43629%0.288SS..  trans-98-6.2-174.756.10000114D32 M33 E45D32-T47 CarbonylContact C-O 3.59Å; D32-T47 WeakPolarHBondContact CA-O 3.23Å; M33-T47 PolarHBondContact N-O 2.82Å; E45-T47 PolarHBondContact O-N 3.05Å
48K95.9Very high91.5Very high41 Ų4152.2 Ų52.218%0.17827%0.273CS..EExtended strand (participates in β ladder)trans-140.8160.6-173.8-71.2-177.1178.3-171.60112.5S10 V30 E31 D32 T167S10-K48 CarbonylContact O-C 3.58Å; S10-K48 VanDerWaalsContact O-C 3.23Å; S10-K48 WeakPolarHBondContact O-CB 3.37Å; V30-K48 HydrophobicContact CG1-CB 4.19Å; V30-K48 HydrophobicContact CG1-CD 4Å; V30-K48 HydrophobicContact CG1-CG 4.45Å; E31-K48 VanDerWaalsContact O-CA 3.31Å; E31-K48 WeakPolarHBondContact O-CA 3.12Å; D32-K48 WeakPolarHBondContact OD1-CE 3.32Å; D32-K48 WeakPolarHBondContact OD1-CG 3.26Å; K48-T167 PolarHBondContact O-OG1 3.49Å
49Y96.9Very high92.3Very high2 Ų251 Ų511%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-145.3161.617259.5-88.7000111.2V30 E31 D32 M33 G35 V51 W129 R165V30-Y49 WeakPolarHBondContact CA-O 3.5Å; E31-Y49 HydrophobicContact CB-CE1 4.14Å; E31-Y49 HydrophobicContact CB-CE2 3.82Å; E31-Y49 WeakPolarHBondContact CB-OH 3.36Å; E31-Y49 PolarHBondContact N-O 2.83Å; E31-Y49 PolarHBondContact O-N 3.24Å; E31-Y49 PolarHBondContact OE2-OH 2.79Å; D32-Y49 VanDerWaalsContact O-CE1 3.32Å; D32-Y49 WeakPolarHBondContact O-CE1 3.41Å; M33-Y49 HydrophobicContact CE-CD1 4.07Å; M33-Y49 HydrophobicContact CG-CD1 3.82Å; M33-Y49 HydrophobicContact CG-CE1 4.36Å; M33-Y49 HydrophobicContact SD-CD1 3.61Å; M33-Y49 HydrophobicContact SD-CE1 4.11Å; G35-Y49 WeakPolarHBondContact CA-OH 3.46Å; Y49-V51 HydrophobicContact CD2-CB 4.21Å; Y49-V51 HydrophobicContact CE2-CB 3.99Å; Y49-V51 HydrophobicContact CE2-CG1 4.42Å; Y49-W129 HydrophobicContact CD1-CZ2 4.49Å; Y49-W129 HydrophobicContact CG-CH2 4.29Å; Y49-W129 HydrophobicContact CG-CZ2 4.44Å; Y49-R165 HydrophobicContact CD2-CB 3.83Å; Y49-R165 HydrophobicContact CD2-CG 3.77Å; Y49-R165 HydrophobicContact CE2-CB 4.25Å; Y49-R165 HydrophobicContact CE2-CG 3.68Å
50F97.9Very high93.1Very high0 Ų052 Ų520%026%0.262CS..EExtended strand (participates in β ladder)trans-92.5141.8168.9-54.5-87.9000109.4Q14 L15 W18 W28 K29 V30 K59 R165 V166Q14-F50 VanDerWaalsContact O-CE1 3.22Å; Q14-F50 WeakPolarHBondContact O-CE1 3.43Å; L15-F50 HydrophobicContact CD2-CD1 3.66Å; L15-F50 HydrophobicContact CD2-CE1 3.72Å; W18-F50 AromaticContact NE1-CZ 3.87Å; W28-F50 HydrophobicContact CE3-CB 3.77Å; W28-F50 HydrophobicContact CZ3-CB 3.58Å; K29-F50 CarbonylContact O-C 3.23Å; K29-F50 WeakPolarHBondContact O-CA 3.4Å; V30-F50 HydrophobicContact CG2-CD1 3.6Å; V30-F50 HydrophobicContact CG2-CE1 3.8Å; F50-K59 HydrophobicContact CD1-CD 4.49Å; F50-R165 CarbonylContact O-C 3.57Å; F50-R165 VanDerWaalsContact O-CA 3.22Å; F50-R165 WeakPolarHBondContact O-CA 3.45Å; F50-V166 HydrophobicContact CB-CG2 3.87Å; F50-V166 HydrophobicContact CD2-CG2 4.35Å; F50-V166 PolarHBondContact N-O 3.48Å; F50-V166 PolarHBondContact O-N 2.9Å
51V97.6Very high93.7Very high0 Ų046.4 Ų46.40%023%0.231CC..EExtended strand (participates in β ladder)trans-129136.9176.462.20000111K29 E31 Y49 W161 R165K29-V51 HydrophobicContact CB-CG1 3.95Å; K29-V51 PolarHBondContact N-O 2.87Å; K29-V51 VanDerWaalsContact N-O 3.11Å; K29-V51 WeakPolarHBondContact O-CG1 3.3Å; K29-V51 PolarHBondContact O-N 2.84Å; E31-V51 HydrophobicContact CG-CG1 4.06Å; Y49-V51 HydrophobicContact CD2-CB 4.21Å; Y49-V51 HydrophobicContact CE2-CB 3.99Å; Y49-V51 HydrophobicContact CE2-CG1 4.42Å; V51-W161 HydrophobicContact CB-CB 4.48Å; V51-W161 HydrophobicContact CG1-CB 3.79Å; V51-W161 HydrophobicContact CG1-CG 3.99Å; V51-W161 HydrophobicContact CG2-CB 3.88Å; V51-R165 HydrophobicContact CB-CG 4.15Å; V51-R165 HydrophobicContact CG2-CG 3.84Å
52T97.5Very high94.2Very high0 Ų048 Ų480%024%0.244CC..  trans-89.8164.4177.456.50000111.9W28 C57 W161 G163 V164W28-T52 HydrophobicContact CD2-CG2 4.22Å; W28-T52 HydrophobicContact CE3-CG2 3.81Å; W28-T52 HydrophobicContact CH2-CG2 3.18Å; W28-T52 HydrophobicContact CZ2-CG2 3.61Å; W28-T52 HydrophobicContact CZ3-CG2 3.28Å; T52-C57 HydrophobicContact CG2-CB 3.57Å; T52-W161 WeakPolarHBondContact O-CA 3.27Å; T52-G163 PolarHBondContact O-N 3.25Å; T52-G163 VanDerWaalsContact O-N 3.16Å; T52-G163 VanDerWaalsContact OG1-C 3.28Å; T52-G163 VanDerWaalsContact OG1-CA 3.29Å; T52-G163 WeakPolarHBondContact OG1-CA 3.42Å; T52-V164 HydrophobicContact CG2-CG1 3.9Å; T52-V164 PolarHBondContact N-O 3.06Å; T52-V164 WeakPolarHBondContact OG1-CG1 3.41Å; T52-V164 PolarHBondContact OG1-N 2.66Å; T52-V164 PolarHBondContact OG1-O 2.82Å
53S96.2Very high94.9Very high0 Ų043.6 Ų43.60%021%0.213CC..  trans-100.3-155.3179.6-167.60000111.1N26 R153 D154 G160N26-S53 WeakPolarHBondContact CB-OG 3.38Å; N26-S53 PolarHBondContact N-OG 3.14Å; S53-R153 WeakPolarHBondContact O-CA 3.12Å; S53-D154 PolarHBondContact O-N 2.93Å; S53-G160 WeakPolarHBondContact CA-O 3.31Å; S53-G160 WeakPolarHBondContact CB-O 3.38Å; S53-G160 PolarHBondContact OG-O 2.82Å
54F93.9Very high95.5Very high42 Ų4242.4 Ų42.418%0.18421%0.207CC..SBendtrans-87.3-15.3-17761-96.5000114.6G25 N26 D154 E159G25-F54 VanDerWaalsContact CA-CZ 3.46Å; N26-F54 VanDerWaalsContact OD1-CE1 3.23Å; N26-F54 WeakPolarHBondContact OD1-CE1 3.44Å; F54-D154 VanDerWaalsContact CA-CG 3.45Å; F54-D154 WeakPolarHBondContact CA-OD1 3.44Å; F54-D154 VanDerWaalsContact CB-OD2 3.29Å; F54-D154 WeakPolarHBondContact CB-OD2 3.23Å; F54-E159 HydrophobicContact CE1-CG 4.33Å
55E95.6Very high96.2Very high97 Ų9733.3 Ų33.345%0.45316%0.164SC..SBendtrans-105.6169.6166.7-67.9178.7156.800110.1G25 C57 R153G25-E55 PolarHBondContact N-OE2 2.91Å; E55-C57 PolarHBondContact O-N 2.88Å; E55-R153 WeakPolarHBondContact O-CB 3.2Å
56L96.9Very high96.6Very high49 Ų4928.8 Ų28.826%0.25715%0.145SC..  trans-61.4125.3-177-174.362.5000110.7E22 G24 L58E22-L56 HydrophobicContact CB-CG 4.32Å; E22-L56 HydrophobicContact CG-CD2 4.19Å; E22-L56 HydrophobicContact CG-CG 4.44Å; G24-L56 PolarHBondContact N-O 3.4Å; L56-L58 HydrophobicContact CD1-CD1 4.42Å; L56-L58 HydrophobicContact CD1-CD2 4.11Å; L56-L58 HydrophobicContact CD1-CG 4.03Å; L56-L58 HydrophobicContact CD2-CD1 3.95Å; L56-L58 HydrophobicContact CD2-CG 4.3Å; L56-L58 HydrophobicContact CG-CD1 4.21Å; L56-L58 HydrophobicContact CG-CG 4Å
57C97.9Very high96.9Very high0 Ų035.9 Ų35.90%018%0.177CC..EExtended strand (participates in β ladder)trans-122122.1172-71.70000107.9E22 G24 W28 T52 E55 G151 G152E22-C57 CarbonylContact O-C 3.5Å; E22-C57 WeakPolarHBondContact O-CA 3.45Å; G24-C57 PolarHBondContact O-SG 3.17Å; G24-C57 VanDerWaalsContact O-SG 3.38Å; W28-C57 HydrophobicContact CD2-CB 4.11Å; W28-C57 HydrophobicContact CG-CB 4.34Å; W28-C57 HydrophobicContact CZ2-CB 4.02Å; W28-C57 WeakPolarHBondContact CZ2-O 3.42Å; T52-C57 HydrophobicContact CG2-CB 3.57Å; E55-C57 PolarHBondContact O-N 2.88Å; C57-G151 CarbonylContact O-C 3.53Å; C57-G151 VanDerWaalsContact O-CA 3.31Å; C57-G151 WeakPolarHBondContact O-CA 3.31Å; C57-G152 PolarHBondContact N-O 3.32Å; C57-G152 PolarHBondContact O-N 2.87Å
58L98.2Very high97.1Very high13 Ų1334.3 Ų34.37%0.06816%0.164CC..EExtended strand (participates in β ladder)trans-130.3139.8178-64.2175.7000109.6T21 E22 L56 Q98 E149T21-L58 PolarHBondContact N-O 2.86Å; T21-L58 VanDerWaalsContact N-O 3.1Å; T21-L58 VanDerWaalsContact OG1-CB 3.25Å; T21-L58 WeakPolarHBondContact OG1-CB 3.49Å; T21-L58 PolarHBondContact OG1-O 2.85Å; E22-L58 HydrophobicContact CB-CB 3.92Å; E22-L58 HydrophobicContact CB-CD1 4.36Å; E22-L58 HydrophobicContact CB-CG 4.13Å; E22-L58 HydrophobicContact CG-CB 4.31Å; E22-L58 HydrophobicContact CG-CD1 3.97Å; E22-L58 HydrophobicContact CG-CG 4.29Å; E22-L58 PolarHBondContact N-O 2.83Å; E22-L58 PolarHBondContact O-N 3Å; L56-L58 HydrophobicContact CD1-CD1 4.42Å; L56-L58 HydrophobicContact CD1-CD2 4.11Å; L56-L58 HydrophobicContact CD1-CG 4.03Å; L56-L58 HydrophobicContact CD2-CD1 3.95Å; L56-L58 HydrophobicContact CD2-CG 4.3Å; L56-L58 HydrophobicContact CG-CD1 4.21Å; L56-L58 HydrophobicContact CG-CG 4Å; L58-Q98 HydrophobicContact CD2-CG 3.86Å; L58-E149 HydrophobicContact CB-CG 4.38Å
59K98.3Very high97.1Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-134.2143173.268.1-177.7-17769.80110.5L15 W18 E19 L20 W28 F50 E149 H150L15-K59 HydrophobicContact CD2-CD 4.29Å; W18-K59 HydrophobicContact CB-CB 4.34Å; W18-K59 HydrophobicContact CB-CD 4.24Å; W18-K59 HydrophobicContact CD2-CD 3.95Å; W18-K59 HydrophobicContact CD2-CG 4.19Å; W18-K59 HydrophobicContact CE3-CB 4.15Å; W18-K59 HydrophobicContact CE3-CD 4.01Å; W18-K59 HydrophobicContact CE3-CG 3.72Å; W18-K59 HydrophobicContact CG-CD 4.03Å; W18-K59 HydrophobicContact CZ3-CG 4.23Å; E19-K59 CarbonylContact O-C 3.49Å; E19-K59 VanDerWaalsContact O-CA 3.25Å; E19-K59 WeakPolarHBondContact O-CA 3.3Å; L20-K59 HydrophobicContact CD2-CB 3.88Å; W28-K59 HydrophobicContact CD2-CD 4.46Å; W28-K59 HydrophobicContact CH2-CD 4.39Å; W28-K59 HydrophobicContact CH2-CG 4.43Å; W28-K59 HydrophobicContact CZ2-CB 4.33Å; W28-K59 HydrophobicContact CZ2-CD 4.14Å; W28-K59 HydrophobicContact CZ2-CG 3.91Å; F50-K59 HydrophobicContact CD1-CD 4.49Å; K59-E149 WeakPolarHBondContact O-CA 3.24Å; K59-H150 WeakPolarHBondContact CE-NE2 3.32Å; K59-H150 PolarHBondContact N-O 3.16Å; K59-H150 PolarHBondContact NZ-NE2 3Å; K59-H150 PolarHBondContact O-N 3.26Å; K59-H150 VanDerWaalsContact O-N 3.1Å
60R98.3Very high97.1Very high77 Ų7736.7 Ų36.729%0.29119%0.192SC..EExtended strand (participates in β ladder)trans-128147.9-172.3-174.317269-174.7-1.1111.3E19 T21 V62 F148 E149E19-R60 WeakPolarHBondContact CB-O 3.33Å; E19-R60 PolarHBondContact N-O 2.92Å; E19-R60 PolarHBondContact O-N 2.94Å; E19-R60 IonicContact OE1-CZ 2.68Å; E19-R60 IonicContact OE1-NH2 3.28Å; E19-R60 PolarHBondContact OE1-NH2 2.84Å; E19-R60 IonicContact OE2-CZ 3.92Å; E19-R60 VanDerWaalsContact OE2-CZ 3.28Å; E19-R60 IonicContact OE2-NE 3.79Å; E19-R60 PolarHBondContact OE2-NE 2.93Å; E19-R60 IonicContact OE2-NH2 2.94Å; E19-R60 PolarHBondContact OE2-NH2 2.84Å; T21-R60 HydrophobicContact CG2-CB 3.92Å; R60-V62 HydrophobicContact CG-CG2 4.46Å; R60-F148 CarbonylContact C-O 3.57Å; R60-F148 VanDerWaalsContact CA-O 3.25Å; R60-F148 WeakPolarHBondContact CA-O 3.49Å; R60-E149 HydrophobicContact CB-CB 4.11Å; R60-E149 HydrophobicContact CB-CG 4.14Å; R60-E149 HydrophobicContact CG-CB 4.1Å
61Q98.4Very high97Very high15 Ų1538.4 Ų38.47%0.0720%0.204CC..EExtended strand (participates in β ladder)trans-132.9134.7164.4-164172.899.200108.9L6 K7 S17 W18 F148L6-Q61 VanDerWaalsContact CA-OE1 3.25Å; L6-Q61 HydrophobicContact CD2-CB 3.95Å; L6-Q61 HydrophobicContact CD2-CG 4.33Å; K7-Q61 PolarHBondContact O-NE2 3.04Å; K7-Q61 VanDerWaalsContact O-NE2 3.11Å; S17-Q61 PolarHBondContact O-NE2 2.98Å; W18-Q61 HydrophobicContact CE3-CB 4Å; W18-Q61 HydrophobicContact CH2-CB 4.43Å; W18-Q61 HydrophobicContact CZ3-CB 3.93Å; Q61-F148 PolarHBondContact N-O 3.01Å; Q61-F148 PolarHBondContact O-N 2.98Å
62V98.2Very high96.9Very high62 Ų6241.2 Ų41.238%0.37622%0.222SC..EExtended strand (participates in β ladder)trans-108.4121.8173.5-177.20000107.5R60 F145 I146R60-V62 HydrophobicContact CG-CG2 4.46Å; V62-F145 HydrophobicContact CG1-CB 4.08Å; V62-F145 HydrophobicContact CG1-CD1 4.21Å; V62-F145 HydrophobicContact CG1-CG 4.47Å; V62-I146 WeakPolarHBondContact CA-O 3.22Å
63I98.1Very high96.8Very high4 Ų448.9 Ų48.92%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-98120.9-178.6-59.6157.8000107.8L5 L6 L65 E68 F145 I146 V171L5-I63 HydrophobicContact CB-CD1 3.89Å; L5-I63 HydrophobicContact CB-CG1 4.45Å; L5-I63 HydrophobicContact CB-CG2 4.01Å; L5-I63 HydrophobicContact CD1-CG2 4.18Å; L6-I63 HydrophobicContact CD2-CD1 3.92Å; L6-I63 HydrophobicContact CD2-CG1 4.4Å; L6-I63 HydrophobicContact CG-CD1 4.4Å; I63-L65 HydrophobicContact CG2-CD2 4.1Å; I63-E68 HydrophobicContact CG2-CG 3.86Å; I63-F145 WeakPolarHBondContact O-CA 3.42Å; I63-F145 WeakPolarHBondContact O-CB 3.49Å; I63-I146 HydrophobicContact CB-CB 4.39Å; I63-I146 HydrophobicContact CD1-CB 4.31Å; I63-I146 PolarHBondContact N-O 2.92Å; I63-I146 PolarHBondContact O-N 3.02Å; I63-V171 HydrophobicContact CD1-CB 3.79Å; I63-V171 HydrophobicContact CD1-CG1 3.77Å; I63-V171 HydrophobicContact CD1-CG2 4.06Å
64D97.8Very high96.8Very high40 Ų4052.6 Ų52.621%0.21428%0.275CS..EExtended strand (participates in β ladder)trans-85.6111168-175.2-38.2000109.4I66 E67 E68 F145D64-I66 VanDerWaalsContact C-N 3.3Å; D64-I66 PolarHBondContact O-N 2.97Å; D64-I66 WeakPolarHBondContact OD1-CA 3.19Å; D64-I66 WeakPolarHBondContact OD1-CB 3.44Å; D64-I66 PolarHBondContact OD1-N 3.48Å; D64-E67 HydrophobicContact CB-CB 4.03Å; D64-E67 HydrophobicContact CB-CG 4.1Å; D64-E67 PolarHBondContact O-N 2.84Å; D64-E67 PolarHBondContact OD1-N 3.02Å; D64-E68 VanDerWaalsContact O-CG 3.27Å; D64-E68 WeakPolarHBondContact O-CG 3.35Å; D64-E68 PolarHBondContact O-N 2.61Å; D64-F145 HydrophobicContact CB-CD1 3.88Å; D64-F145 HydrophobicContact CB-CE1 3.75Å; D64-F145 VanDerWaalsContact OD2-CE1 3.27Å; D64-F145 WeakPolarHBondContact OD2-CE1 3.12Å
65L97.2Very high96.9Very high0 Ų050.6 Ų50.60%027%0.266CS..THydrogen-bonded Turntrans-71-27-175.7-63.2174000112.5L5 I63 E68 G69 Y70 L75 M143 R144 I146 V173L5-L65 HydrophobicContact CD1-CD2 3.76Å; I63-L65 HydrophobicContact CG2-CD2 4.1Å; L65-E68 PolarHBondContact O-N 3.46Å; L65-G69 PolarHBondContact O-N 3.42Å; L65-Y70 HydrophobicContact CB-CD2 4.12Å; L65-Y70 HydrophobicContact CD2-CD2 4.04Å; L65-Y70 HydrophobicContact CD2-CE2 4.2Å; L65-Y70 WeakPolarHBondContact O-CB 3.44Å; L65-Y70 VanDerWaalsContact O-CD2 3.29Å; L65-Y70 WeakPolarHBondContact O-CD2 3.27Å; L65-Y70 PolarHBondContact O-N 3.42Å; L65-L75 HydrophobicContact CB-CD1 3.62Å; L65-L75 HydrophobicContact CB-CD2 4.25Å; L65-L75 HydrophobicContact CD1-CD1 3.98Å; L65-L75 HydrophobicContact CD1-CD2 3.83Å; L65-L75 HydrophobicContact CG-CD1 4.48Å; L65-M143 HydrophobicContact CD1-CE 3.57Å; L65-M143 HydrophobicContact CD1-CG 3.88Å; L65-M143 HydrophobicContact CD1-SD 3.97Å; L65-R144 VanDerWaalsContact CB-O 3.3Å; L65-R144 WeakPolarHBondContact CB-O 3.22Å; L65-R144 WeakPolarHBondContact CG-O 3.29Å; L65-R144 PolarHBondContact N-O 3.48Å; L65-I146 HydrophobicContact CD1-CD1 4.21Å; L65-I146 HydrophobicContact CD1-CG1 4.12Å; L65-I146 HydrophobicContact CD2-CD1 3.83Å; L65-I146 HydrophobicContact CD2-CG1 4.3Å; L65-I146 HydrophobicContact CG-CD1 4.43Å; L65-I146 HydrophobicContact CG-CG1 4.41Å; L65-V173 HydrophobicContact CD2-CG2 4.02Å
66I96.3Very high97Very high74 Ų7448.7 Ų48.738%0.37926%0.259SS..THydrogen-bonded Turntrans-72.3-42.7177.4-55.1-56.4000109.7D64 E68 G69 Y70 P72 L75D64-I66 VanDerWaalsContact C-N 3.3Å; D64-I66 PolarHBondContact O-N 2.97Å; D64-I66 WeakPolarHBondContact OD1-CA 3.19Å; D64-I66 WeakPolarHBondContact OD1-CB 3.44Å; D64-I66 PolarHBondContact OD1-N 3.48Å; I66-E68 VanDerWaalsContact C-N 3.29Å; I66-E68 PolarHBondContact O-N 3.04Å; I66-G69 PolarHBondContact O-N 3.45Å; I66-Y70 VanDerWaalsContact CD1-O 3.31Å; I66-Y70 WeakPolarHBondContact CD1-O 3.45Å; I66-P72 HydrophobicContact CD1-CG 4.02Å; I66-L75 HydrophobicContact CD1-CD1 3.94Å
67E96.2Very high96.9Very high166 Ų16650.1 Ų50.178%0.77628%0.278SS*.THydrogen-bonded Turntrans-65.5-32.1173.6-69.1-160.1115.800112.6D64 G69D64-E67 HydrophobicContact CB-CB 4.03Å; D64-E67 HydrophobicContact CB-CG 4.1Å; D64-E67 PolarHBondContact O-N 2.84Å; D64-E67 PolarHBondContact OD1-N 3.02Å; E67-G69 PolarHBondContact O-N 3.27Å
68E96.1Very high96.8Very high38 Ų3853.2 Ų53.218%0.17829%0.293CS..THydrogen-bonded Turntrans-74.8-1.8172.9-66.8-61.8146.600113.5R3 L5 K7 I63 D64 L65 I66 Y70R3-E68 IonicContact CZ-OE2 3.72Å; R3-E68 IonicContact NH1-OE2 3.18Å; R3-E68 PolarHBondContact NH1-OE2 2.96Å; R3-E68 PolarHBondContact NH2-O 3.15Å; R3-E68 IonicContact NH2-OE2 3.5Å; R3-E68 PolarHBondContact NH2-OE2 3.3Å; L5-E68 HydrophobicContact CD2-CB 4.31Å; L5-E68 HydrophobicContact CD2-CG 4.35Å; K7-E68 IonicContact NZ-OE1 2.72Å; I63-E68 HydrophobicContact CG2-CG 3.86Å; D64-E68 VanDerWaalsContact O-CG 3.27Å; D64-E68 WeakPolarHBondContact O-CG 3.35Å; D64-E68 PolarHBondContact O-N 2.61Å; L65-E68 PolarHBondContact O-N 3.46Å; I66-E68 VanDerWaalsContact C-N 3.29Å; I66-E68 PolarHBondContact O-N 3.04Å; E68-Y70 HydrophobicContact CB-CD2 4.14Å; E68-Y70 HydrophobicContact CB-CE2 4.14Å
69G95.4Very high96.7Very high62 Ų6253 Ų5364%0.63929%0.292SS*.THydrogen-bonded Turntrans97.311.116900000115.9L65 I66 E67L65-G69 PolarHBondContact O-N 3.42Å; I66-G69 PolarHBondContact O-N 3.45Å; E67-G69 PolarHBondContact O-N 3.27Å
70Y96.3Very high96.7Very high32 Ų3255.5 Ų55.513%0.12531%0.308CS..  trans-82.1137.8175.3-62-81.6000110.8L5 L65 I66 E68 L75 V173 V175L5-Y70 HydrophobicContact CD1-CE2 3.92Å; L5-Y70 HydrophobicContact CD2-CE2 3.98Å; L65-Y70 HydrophobicContact CB-CD2 4.12Å; L65-Y70 HydrophobicContact CD2-CD2 4.04Å; L65-Y70 HydrophobicContact CD2-CE2 4.2Å; L65-Y70 WeakPolarHBondContact O-CB 3.44Å; L65-Y70 VanDerWaalsContact O-CD2 3.29Å; L65-Y70 WeakPolarHBondContact O-CD2 3.27Å; L65-Y70 PolarHBondContact O-N 3.42Å; I66-Y70 VanDerWaalsContact CD1-O 3.31Å; I66-Y70 WeakPolarHBondContact CD1-O 3.45Å; E68-Y70 HydrophobicContact CB-CD2 4.14Å; E68-Y70 HydrophobicContact CB-CE2 4.14Å; Y70-L75 HydrophobicContact CD1-CD2 4.4Å; Y70-L75 HydrophobicContact CG-CD2 4.06Å; Y70-V173 HydrophobicContact CE1-CB 4.16Å; Y70-V173 HydrophobicContact CE1-CG1 4.3Å; Y70-V175 HydrophobicContact CD1-CG2 3.62Å; Y70-V175 HydrophobicContact CE1-CB 4.39Å; Y70-V175 HydrophobicContact CE1-CG2 3.59Å
71S96.6Very high96.7Very high35 Ų3551.9 Ų51.925%0.24530%0.295CS..  trans-82.1150.7174.681.60000111.4E73 Q74 L75S71-E73 PolarHBondContact O-N 2.79Å; S71-Q74 WeakPolarHBondContact O-CB 3.17Å; S71-Q74 PolarHBondContact O-N 3.05Å; S71-Q74 WeakPolarHBondContact OG-CG 3.3Å; S71-Q74 PolarHBondContact OG-N 2.98Å; S71-Q74 PolarHBondContact OG-OE1 2.88Å; S71-L75 WeakPolarHBondContact O-CG 3.42Å; S71-L75 PolarHBondContact O-N 2.84Å; S71-L75 VanDerWaalsContact O-N 3.11Å
72P95.8Very high96.6Very high59 Ų5951.7 Ų51.738%0.38329%0.294SS..Hα-helixtrans-52.6-39.1174-29.437.1000113.2I66 Q74 L75 D76I66-P72 HydrophobicContact CD1-CG 4.02Å; P72-Q74 VanDerWaalsContact C-N 3.34Å; P72-Q74 PolarHBondContact O-N 2.81Å; P72-L75 PolarHBondContact O-N 3.38Å; P72-D76 VanDerWaalsContact O-CB 3.29Å; P72-D76 WeakPolarHBondContact O-CB 3.39Å; P72-D76 PolarHBondContact O-N 2.68Å
73E96.2Very high96.6Very high162 Ų16248.7 Ų48.776%0.75728%0.276SS*.Hα-helixtrans-63.2-39.3179-59.4164.7159.200112.2S71 A77S71-E73 PolarHBondContact O-N 2.79Å; E73-A77 PolarHBondContact O-N 2.81Å
74Q95.9Very high96.6Very high78 Ų7852 Ų5236%0.36429%0.291SS..Hα-helixtrans-66.3-42.1175.5-74.9173.9-46.600111.3S71 P72 A77 P79 V175S71-Q74 WeakPolarHBondContact O-CB 3.17Å; S71-Q74 PolarHBondContact O-N 3.05Å; S71-Q74 WeakPolarHBondContact OG-CG 3.3Å; S71-Q74 PolarHBondContact OG-N 2.98Å; S71-Q74 PolarHBondContact OG-OE1 2.88Å; P72-Q74 VanDerWaalsContact C-N 3.34Å; P72-Q74 PolarHBondContact O-N 2.81Å; Q74-A77 WeakPolarHBondContact O-CB 3.42Å; Q74-A77 PolarHBondContact O-N 3.29Å; Q74-P79 VanDerWaalsContact O-CD 3.25Å; Q74-P79 WeakPolarHBondContact O-CD 3.27Å; Q74-V175 HydrophobicContact CB-CG1 3.61Å; Q74-V175 HydrophobicContact CB-CG2 4.5Å; Q74-V175 HydrophobicContact CG-CG1 3.54Å
75L96.2Very high96.6Very high0 Ų050.1 Ų50.10%028%0.28CS..Hα-helixtrans-72.8-37.2-179-59178.9000112.1L65 I66 Y70 S71 P72 A77 Q78 P79 M143L65-L75 HydrophobicContact CB-CD1 3.62Å; L65-L75 HydrophobicContact CB-CD2 4.25Å; L65-L75 HydrophobicContact CD1-CD1 3.98Å; L65-L75 HydrophobicContact CD1-CD2 3.83Å; L65-L75 HydrophobicContact CG-CD1 4.48Å; I66-L75 HydrophobicContact CD1-CD1 3.94Å; Y70-L75 HydrophobicContact CD1-CD2 4.4Å; Y70-L75 HydrophobicContact CG-CD2 4.06Å; S71-L75 WeakPolarHBondContact O-CG 3.42Å; S71-L75 PolarHBondContact O-N 2.84Å; S71-L75 VanDerWaalsContact O-N 3.11Å; P72-L75 PolarHBondContact O-N 3.38Å; L75-A77 PolarHBondContact O-N 3.27Å; L75-Q78 PolarHBondContact O-N 2.69Å; L75-P79 WeakPolarHBondContact O-CD 3.34Å; L75-M143 WeakPolarHBondContact CB-O 3.42Å; L75-M143 VanDerWaalsContact CD1-O 3.3Å; L75-M143 WeakPolarHBondContact CD1-O 3.19Å; L75-M143 HydrophobicContact CD2-CE 3.95Å
76D96.3Very high96.6Very high57 Ų5752.4 Ų52.431%0.30529%0.289SS..Hα-helixtrans-70.7-16.9178.6-65.4-16.3000112.2P72 Q78 P141 G142 R144P72-D76 VanDerWaalsContact O-CB 3.29Å; P72-D76 WeakPolarHBondContact O-CB 3.39Å; P72-D76 PolarHBondContact O-N 2.68Å; D76-Q78 PolarHBondContact O-N 2.94Å; D76-P141 HydrophobicContact CB-CB 3.97Å; D76-G142 WeakPolarHBondContact OD1-CA 3.45Å; D76-G142 PolarHBondContact OD1-N 3.43Å; D76-R144 IonicContact OD1-CZ 3.42Å; D76-R144 IonicContact OD1-NH1 2.8Å; D76-R144 PolarHBondContact OD1-NH1 2.8Å; D76-R144 IonicContact OD1-NH2 3.08Å; D76-R144 PolarHBondContact OD1-NH2 3.36Å; D76-R144 VanDerWaalsContact OD1-NH2 3.08Å; D76-R144 IonicContact OD2-NH2 3.21Å; D76-R144 PolarHBondContact OD2-NH2 2.87Å
77A95.9Very high96.7Very high79 Ų7949 Ų4965%0.65327%0.271SS*.THydrogen-bonded Turntrans-72.5-1.9168.500000113.7E73 Q74 L75E73-A77 PolarHBondContact O-N 2.81Å; Q74-A77 WeakPolarHBondContact O-CB 3.42Å; Q74-A77 PolarHBondContact O-N 3.29Å; L75-A77 PolarHBondContact O-N 3.27Å
78Q95.5Very high96.7Very high65 Ų6541 Ų4130%0.30424%0.235SC..  trans59.554.3178.2-63.1165.672.400113.8L75 D76 Y139 G140L75-Q78 PolarHBondContact O-N 2.69Å; D76-Q78 PolarHBondContact O-N 2.94Å; Q78-Y139 VanDerWaalsContact C-OH 3.24Å; Q78-Y139 WeakPolarHBondContact CA-OH 3.37Å; Q78-Y139 HydrophobicContact CB-CE2 4.16Å; Q78-Y139 HydrophobicContact CG-CD2 4.29Å; Q78-Y139 HydrophobicContact CG-CE2 4.02Å; Q78-G140 WeakPolarHBondContact CG-O 3.29Å; Q78-G140 VanDerWaalsContact OE1-CA 3.31Å
79P96.4Very high96.6Very high9 Ų939.2 Ų39.26%0.05823%0.226CC..  trans-59.5141.617727.3-34.9000110.5Q74 L75 V81 Y139 M143 V173 E174 V175Q74-P79 VanDerWaalsContact O-CD 3.25Å; Q74-P79 WeakPolarHBondContact O-CD 3.27Å; L75-P79 WeakPolarHBondContact O-CD 3.34Å; P79-V81 PolarHBondContact O-N 2.94Å; P79-Y139 VanDerWaalsContact CD-OH 3.29Å; P79-Y139 WeakPolarHBondContact CD-OH 3.42Å; P79-Y139 PolarHBondContact O-OH 3.13Å; P79-M143 HydrophobicContact CG-CE 4.43Å; P79-V173 HydrophobicContact CB-CG1 3.85Å; P79-V173 HydrophobicContact CG-CG1 3.57Å; P79-E174 WeakPolarHBondContact CB-O 3.42Å; P79-V175 HydrophobicContact CB-CG2 3.83Å; P79-V175 HydrophobicContact CG-CG2 3.92Å
80P97.1Very high96.5Very high52 Ų5237.3 Ų37.334%0.33820%0.2SC..  trans-55.4130175.1-25.534.2000111.4T135 E174P80-T135 HydrophobicContact CB-CG2 4.07Å; P80-E174 HydrophobicContact CB-CB 4.39Å; P80-E174 WeakPolarHBondContact CD-O 3.29Å; P80-E174 PolarHBondContact O-N 2.79Å
81V97.9Very high96.2Very high0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-110.2114.5174.6-178.20000107.9P79 V83 L103 T135 F136 Y139 M143 I146 V171 T172 V173P79-V81 PolarHBondContact O-N 2.94Å; V81-V83 HydrophobicContact CG1-CG1 4.45Å; V81-L103 HydrophobicContact CB-CD2 4.31Å; V81-L103 HydrophobicContact CG1-CD2 4.09Å; V81-L103 HydrophobicContact CG2-CD2 4.33Å; V81-T135 CarbonylContact O-C 3.59Å; V81-T135 VanDerWaalsContact O-CA 3.27Å; V81-T135 WeakPolarHBondContact O-CA 3.36Å; V81-F136 HydrophobicContact CB-CB 4.22Å; V81-F136 HydrophobicContact CB-CD2 4.12Å; V81-F136 HydrophobicContact CG1-CD2 4.15Å; V81-F136 PolarHBondContact N-O 3.13Å; V81-F136 PolarHBondContact O-N 2.96Å; V81-Y139 HydrophobicContact CG2-CE1 4.35Å; V81-M143 HydrophobicContact CG2-CE 3.77Å; V81-M143 HydrophobicContact CG2-SD 3.75Å; V81-I146 HydrophobicContact CG1-CD1 3.6Å; V81-I146 HydrophobicContact CG2-CD1 4.45Å; V81-V171 HydrophobicContact CG1-CG1 4.29Å; V81-T172 WeakPolarHBondContact CA-O 3.18Å; V81-V173 HydrophobicContact CG1-CG2 4.39Å; V81-V173 HydrophobicContact CG2-CG1 4.38Å; V81-V173 HydrophobicContact CG2-CG2 4.13Å
82T98.2Very high96Very high11 Ų1140.3 Ų40.37%0.06722%0.218CC..EExtended strand (participates in β ladder)trans-105126.3177.9-61.40000110.1K84 H134 T135 V171 T172T82-K84 HydrophobicContact CG2-CD 4.45Å; T82-K84 HydrophobicContact CG2-CG 4.05Å; T82-H134 CarbonylContact C-O 3.6Å; T82-H134 WeakPolarHBondContact CA-O 3.34Å; T82-T135 WeakPolarHBondContact OG1-CG2 3.44Å; T82-T135 PolarHBondContact OG1-OG1 3.28Å; T82-V171 WeakPolarHBondContact O-CA 3.41Å; T82-T172 PolarHBondContact N-O 2.81Å; T82-T172 PolarHBondContact O-N 2.84Å; T82-T172 PolarHBondContact O-OG1 3Å
83V98Very high95.8Very high0 Ų037.6 Ų37.60%020%0.2CC..EExtended strand (participates in β ladder)trans-112.1136.3173.5-53.80000109.2V81 M99 T133 H134 F136 S170 V171V81-V83 HydrophobicContact CG1-CG1 4.45Å; V83-M99 HydrophobicContact CB-CE 4.08Å; V83-M99 HydrophobicContact CG2-CE 3.64Å; V83-T133 WeakPolarHBondContact O-CA 3.4Å; V83-H134 HydrophobicContact CG2-CB 3.82Å; V83-H134 PolarHBondContact N-O 3.4Å; V83-H134 PolarHBondContact O-N 2.75Å; V83-F136 HydrophobicContact CG1-CD2 4.4Å; V83-F136 HydrophobicContact CG1-CE2 3.87Å; V83-F136 HydrophobicContact CG2-CE2 4.18Å; V83-S170 CarbonylContact C-O 3.59Å; V83-S170 WeakPolarHBondContact CA-O 3.09Å; V83-V171 HydrophobicContact CB-CG2 4.43Å; V83-V171 HydrophobicContact CG1-CG1 4.26Å; V83-V171 HydrophobicContact CG1-CG2 3.95Å
84K97.9Very high95.7Very high73 Ų7330 Ų3032%0.31717%0.165SC..EExtended strand (participates in β ladder)trans-138148.7177.1-50.8179.8178.1178.30110.1T82 V132 S169 S170T82-K84 HydrophobicContact CG2-CD 4.45Å; T82-K84 HydrophobicContact CG2-CG 4.05Å; K84-V132 WeakPolarHBondContact CA-O 3.38Å; K84-S169 CarbonylContact O-C 3.57Å; K84-S169 WeakPolarHBondContact O-CA 3.37Å; K84-S170 WeakPolarHBondContact CB-OG 3.47Å; K84-S170 PolarHBondContact N-O 2.94Å; K84-S170 PolarHBondContact O-N 2.89Å
85D98Very high95.6Very high0 Ų026.2 Ų26.20%015%0.147CC..EExtended strand (participates in β ladder)trans-146.3152.7173.4-162.832.6000110.3Y97 M99 Q131 V132 F148 H150 S169D85-Y97 WeakPolarHBondContact CB-OH 3.32Å; D85-Y97 WeakPolarHBondContact OD2-CE2 3.46Å; D85-Y97 PolarHBondContact OD2-OH 2.88Å; D85-M99 HydrophobicContact CB-SD 3.91Å; D85-Q131 CarbonylContact O-C 3.58Å; D85-Q131 WeakPolarHBondContact O-CA 3.41Å; D85-V132 PolarHBondContact N-O 3.16Å; D85-V132 PolarHBondContact O-N 2.88Å; D85-F148 HydrophobicContact CB-CE2 4.47Å; D85-F148 HydrophobicContact CB-CZ 4.02Å; D85-H150 VanDerWaalsContact CG-ND1 3.32Å; D85-H150 IonicContact OD1-CE1 2.78Å; D85-H150 IonicContact OD1-ND1 2.79Å; D85-H150 PolarHBondContact OD1-ND1 2.78Å; D85-H150 IonicContact OD2-CE1 3.6Å; D85-H150 IonicContact OD2-CG 2.94Å; D85-H150 IonicContact OD2-ND1 3.97Å; D85-H150 PolarHBondContact OD2-ND1 2.82Å; D85-S169 WeakPolarHBondContact OD1-CB 3.28Å; D85-S169 PolarHBondContact OD1-OG 3.1Å
86W97.4Very high95.7Very high48 Ų4827.4 Ų27.418%0.18215%0.154CC..EExtended strand (participates in β ladder)trans-116.8134.1171.9-66.484.2000110.2F41 C42 W129 R130 Q131 V166 T167F41-W86 HydrophobicContact CE2-CB 3.77Å; F41-W86 AromaticContact CE2-CD2 3.6Å; F41-W86 HydrophobicContact CE2-CD2 3.6Å; F41-W86 AromaticContact CE2-CE3 3.78Å; F41-W86 HydrophobicContact CE2-CE3 3.78Å; F41-W86 AromaticContact CE2-CG 3.63Å; F41-W86 HydrophobicContact CE2-CG 3.63Å; F41-W86 HydrophobicContact CZ-CB 4.12Å; F41-W86 AromaticContact CZ-CD1 3.8Å; F41-W86 AromaticContact CZ-CD2 3.72Å; F41-W86 HydrophobicContact CZ-CD2 3.72Å; F41-W86 AromaticContact CZ-CE2 3.92Å; F41-W86 HydrophobicContact CZ-CE3 4.31Å; F41-W86 AromaticContact CZ-CG 3.63Å; F41-W86 HydrophobicContact CZ-CG 3.63Å; F41-W86 AromaticContact CZ-NE1 3.93Å; C42-W86 VanDerWaalsContact SG-CH2 3.54Å; W86-W129 HydrophobicContact CB-CE3 3.99Å; W86-W129 HydrophobicContact CB-CZ3 4.33Å; W86-W129 HydrophobicContact CE3-CB 4.07Å; W86-W129 HydrophobicContact CZ3-CB 4.39Å; W86-R130 VanDerWaalsContact CA-O 3.29Å; W86-R130 WeakPolarHBondContact CA-O 3.49Å; W86-Q131 HydrophobicContact CD2-CB 3.84Å; W86-Q131 HydrophobicContact CD2-CG 4.2Å; W86-Q131 VanDerWaalsContact CE2-NE2 3.3Å; W86-Q131 HydrophobicContact CE3-CB 3.8Å; W86-Q131 HydrophobicContact CH2-CB 3.79Å; W86-Q131 HydrophobicContact CH2-CG 4.5Å; W86-Q131 HydrophobicContact CZ2-CB 3.81Å; W86-Q131 VanDerWaalsContact CZ2-CD 3.49Å; W86-Q131 HydrophobicContact CZ2-CG 4.03Å; W86-Q131 HydrophobicContact CZ3-CB 3.79Å; W86-V166 VanDerWaalsContact O-CA 3.23Å; W86-V166 WeakPolarHBondContact O-CA 3.29Å; W86-T167 VanDerWaalsContact CB-O 3.32Å; W86-T167 WeakPolarHBondContact CB-O 3.37Å; W86-T167 PolarHBondContact N-O 2.87Å; W86-T167 PolarHBondContact O-N 2.91Å
87F97.1Very high95.7Very high2 Ų224.7 Ų24.71%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-137.5152.1177.771.5-76.9000111.5Y97 E119 L121 R130 V132 V164 R165 V166F87-Y97 HydrophobicContact CB-CD2 3.68Å; F87-Y97 HydrophobicContact CB-CE2 3.78Å; F87-Y97 HydrophobicContact CB-CG 4.04Å; F87-Y97 AromaticContact CD1-CD1 3.88Å; F87-Y97 HydrophobicContact CD1-CD1 3.88Å; F87-Y97 HydrophobicContact CD1-CD2 4.49Å; F87-Y97 AromaticContact CD1-CE1 3.77Å; F87-Y97 HydrophobicContact CD1-CE1 3.77Å; F87-Y97 HydrophobicContact CD1-CE2 4.36Å; F87-Y97 HydrophobicContact CD1-CG 4.22Å; F87-Y97 AromaticContact CD1-CZ 3.99Å; F87-Y97 AromaticContact CD2-CD1 3.89Å; F87-Y97 HydrophobicContact CD2-CD1 3.89Å; F87-Y97 HydrophobicContact CD2-CD2 4.16Å; F87-Y97 AromaticContact CD2-CG 3.62Å; F87-Y97 HydrophobicContact CD2-CG 3.62Å; F87-Y97 HydrophobicContact CE1-CD1 4.01Å; F87-Y97 HydrophobicContact CE1-CE1 4.03Å; F87-Y97 AromaticContact CE2-CD1 4Å; F87-Y97 HydrophobicContact CE2-CD1 4Å; F87-Y97 HydrophobicContact CE2-CG 4.1Å; F87-Y97 AromaticContact CG-CD1 3.82Å; F87-Y97 HydrophobicContact CG-CD1 3.82Å; F87-Y97 AromaticContact CG-CD2 3.87Å; F87-Y97 HydrophobicContact CG-CD2 3.87Å; F87-Y97 HydrophobicContact CG-CE1 4.08Å; F87-Y97 HydrophobicContact CG-CE2 4.09Å; F87-Y97 AromaticContact CG-CG 3.69Å; F87-Y97 HydrophobicContact CG-CG 3.69Å; F87-Y97 HydrophobicContact CZ-CD1 4.06Å; F87-E119 HydrophobicContact CE2-CB 4.38Å; F87-E119 HydrophobicContact CE2-CG 4.41Å; F87-E119 HydrophobicContact CZ-CB 4.48Å; F87-E119 HydrophobicContact CZ-CG 4.48Å; F87-E119 WeakPolarHBondContact CZ-OE1 3.12Å; F87-L121 HydrophobicContact CD2-CD1 3.86Å; F87-L121 HydrophobicContact CE2-CD1 3.99Å; F87-L121 HydrophobicContact CE2-CD2 4.3Å; F87-L121 HydrophobicContact CE2-CG 4.31Å; F87-R130 HydrophobicContact CD1-CB 4.29Å; F87-R130 HydrophobicContact CE1-CB 3.71Å; F87-R130 HydrophobicContact CE2-CB 4.42Å; F87-R130 HydrophobicContact CZ-CB 3.8Å; F87-R130 PolarHBondContact N-O 3.39Å; F87-R130 PolarHBondContact O-N 3.11Å; F87-V132 HydrophobicContact CD1-CG2 3.96Å; F87-V132 HydrophobicContact CE1-CG2 3.49Å; F87-V132 VanDerWaalsContact CE1-CG2 3.49Å; F87-V164 HydrophobicContact CB-CG2 3.94Å; F87-V164 HydrophobicContact CD2-CG2 4.32Å; F87-R165 CarbonylContact C-O 3.54Å; F87-R165 WeakPolarHBondContact CA-O 3.49Å; F87-V166 HydrophobicContact CB-CG1 3.98Å
88C96.1Very high95.8Very high0 Ų023.6 Ų23.60%012%0.121CC..EExtended strand (participates in β ladder)trans-151.7170.2173.783.30000111.5C127 W129 R165C88-C127 WeakPolarHBondContact CB-O 3.22Å; C88-W129 HydrophobicContact CB-CB 4.45Å; C88-W129 HydrophobicContact CB-CD2 3.59Å; C88-W129 HydrophobicContact CB-CE3 3.72Å; C88-W129 HydrophobicContact CB-CG 3.93Å; C88-W129 HydrophobicContact CB-CZ2 4.4Å; C88-W129 HydrophobicContact CB-CZ3 4.2Å; C88-W129 WeakPolarHBondContact SG-CZ2 3.34Å; C88-R165 PolarHBondContact N-O 3.23Å; C88-R165 PolarHBondContact O-N 2.89Å
89G94.4Very high95.9Very high0 Ų020.6 Ų20.60%011%0.107CC..  trans-112.717917700000111.6C127G89-C127 PolarHBondContact N-O 2.62Å
90R92.6Very high96Very high22 Ų2221.8 Ų21.88%0.08312%0.115CC..  trans-91158.8163.3-65174.462102.44.9109.5D36 C37 D92 C127 R165D36-R90 PolarHBondContact O-NH1 2.72Å; C37-R90 HydrophobicContact CB-CB 4.45Å; C37-R90 WeakPolarHBondContact O-CA 3.37Å; R90-D92 VanDerWaalsContact C-N 3.3Å; R90-D92 WeakPolarHBondContact CB-OD1 3.38Å; R90-D92 IonicContact CZ-OD1 3.6Å; R90-D92 IonicContact CZ-OD2 3.56Å; R90-D92 IonicContact NE-OD1 2.78Å; R90-D92 PolarHBondContact NE-OD1 2.68Å; R90-D92 IonicContact NE-OD2 3.49Å; R90-D92 PolarHBondContact NE-OD2 3.24Å; R90-D92 IonicContact NH2-OD1 3.56Å; R90-D92 IonicContact NH2-OD2 2.76Å; R90-D92 PolarHBondContact NH2-OD2 2.94Å; R90-C127 PolarHBondContact O-SG 2.73Å; R90-R165 VanDerWaalsContact CG-CZ 3.46Å
91T90.8Very high96Very high69 Ų6919.3 Ų19.342%0.42310%0.098SC..SBendtrans-83.5-3.4174.155.70000114C37 P123C37-T91 WeakPolarHBondContact CB-OG1 3.32Å; C37-T91 PolarHBondContact O-N 3.36Å; C37-T91 PolarHBondContact O-OG1 2.57Å; T91-P123 WeakPolarHBondContact O-CB 3.44Å
92D91.8Very high96.1Very high61 Ų6120 Ų2033%0.32610%0.103SC..SBendtrans-113.6-8.5-178.862.4-4.3000114R90R90-D92 VanDerWaalsContact C-N 3.3Å; R90-D92 WeakPolarHBondContact CB-OD1 3.38Å; R90-D92 IonicContact CZ-OD1 3.6Å; R90-D92 IonicContact CZ-OD2 3.56Å; R90-D92 IonicContact NE-OD1 2.78Å; R90-D92 PolarHBondContact NE-OD1 2.68Å; R90-D92 IonicContact NE-OD2 3.49Å; R90-D92 PolarHBondContact NE-OD2 3.24Å; R90-D92 IonicContact NH2-OD1 3.56Å; R90-D92 IonicContact NH2-OD2 2.76Å; R90-D92 PolarHBondContact NH2-OD2 2.94Å
93C91.6Very high96.1Very high1 Ų119.4 Ų19.41%0.00710%0.099CC..SBendtrans-152138179-171.10000111S156 W158 F162C93-S156 VanDerWaalsContact SG-CB 3.52Å; C93-S156 PolarHBondContact SG-OG 3.2Å; C93-W158 HydrophobicContact CB-CE3 4.18Å; C93-W158 HydrophobicContact CB-CZ3 4.14Å; C93-F162 HydrophobicContact CB-CB 3.95Å; C93-F162 HydrophobicContact CB-CD1 3.99Å; C93-F162 HydrophobicContact CB-CG 4.36Å
94G93.8Very high96.1Very high2 Ų220.1 Ų20.12%0.02110%0.103CC..  trans-80.3153.4175.200000112.6L121 T155G94-L121 WeakPolarHBondContact CA-O 3.45Å; G94-T155 WeakPolarHBondContact CA-OG1 3.47Å; G94-T155 PolarHBondContact O-N 3.22Å; G94-T155 PolarHBondContact O-OG1 3.02Å
95C95.4Very high96.1Very high0 Ų017.8 Ų17.80%09%0.094CC..EExtended strand (participates in β ladder)trans-142.2163.517962.70000111.5T120 L121 R153 V164C95-T120 CarbonylContact O-C 3.56Å; C95-T120 WeakPolarHBondContact O-CA 3.25Å; C95-L121 PolarHBondContact N-O 2.77Å; C95-L121 PolarHBondContact O-N 2.84Å; C95-R153 CarbonylContact C-O 3.5Å; C95-R153 WeakPolarHBondContact CA-O 3.25Å; C95-R153 WeakPolarHBondContact CB-O 3.41Å; C95-V164 HydrophobicContact CB-CB 4.34Å
96T96.8Very high96Very high24 Ų2424.8 Ų24.815%0.14713%0.127CC..EExtended strand (participates in β ladder)trans-117.5127.9173.9-56.60000109.4P118 E119 T120 G152 R153T96-P118 HydrophobicContact CG2-CB 4.13Å; T96-E119 CarbonylContact C-O 3.53Å; T96-E119 WeakPolarHBondContact CA-O 3.33Å; T96-T120 PolarHBondContact OG1-OG1 2.71Å; T96-G152 WeakPolarHBondContact O-CA 3.4Å; T96-R153 PolarHBondContact N-O 3.02Å; T96-R153 PolarHBondContact O-N 3.05Å; T96-R153 VanDerWaalsContact O-N 3.16Å
97Y97.9Very high96Very high0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-98.9145.5174.1174.3-109.5000110.9D85 F87 M99 H116 P118 E119 V132 H150 V164 V166D85-Y97 WeakPolarHBondContact CB-OH 3.32Å; D85-Y97 WeakPolarHBondContact OD2-CE2 3.46Å; D85-Y97 PolarHBondContact OD2-OH 2.88Å; F87-Y97 HydrophobicContact CB-CD2 3.68Å; F87-Y97 HydrophobicContact CB-CE2 3.78Å; F87-Y97 HydrophobicContact CB-CG 4.04Å; F87-Y97 AromaticContact CD1-CD1 3.88Å; F87-Y97 HydrophobicContact CD1-CD1 3.88Å; F87-Y97 HydrophobicContact CD1-CD2 4.49Å; F87-Y97 AromaticContact CD1-CE1 3.77Å; F87-Y97 HydrophobicContact CD1-CE1 3.77Å; F87-Y97 HydrophobicContact CD1-CE2 4.36Å; F87-Y97 HydrophobicContact CD1-CG 4.22Å; F87-Y97 AromaticContact CD1-CZ 3.99Å; F87-Y97 AromaticContact CD2-CD1 3.89Å; F87-Y97 HydrophobicContact CD2-CD1 3.89Å; F87-Y97 HydrophobicContact CD2-CD2 4.16Å; F87-Y97 AromaticContact CD2-CG 3.62Å; F87-Y97 HydrophobicContact CD2-CG 3.62Å; F87-Y97 HydrophobicContact CE1-CD1 4.01Å; F87-Y97 HydrophobicContact CE1-CE1 4.03Å; F87-Y97 AromaticContact CE2-CD1 4Å; F87-Y97 HydrophobicContact CE2-CD1 4Å; F87-Y97 HydrophobicContact CE2-CG 4.1Å; F87-Y97 AromaticContact CG-CD1 3.82Å; F87-Y97 HydrophobicContact CG-CD1 3.82Å; F87-Y97 AromaticContact CG-CD2 3.87Å; F87-Y97 HydrophobicContact CG-CD2 3.87Å; F87-Y97 HydrophobicContact CG-CE1 4.08Å; F87-Y97 HydrophobicContact CG-CE2 4.09Å; F87-Y97 AromaticContact CG-CG 3.69Å; F87-Y97 HydrophobicContact CG-CG 3.69Å; F87-Y97 HydrophobicContact CZ-CD1 4.06Å; Y97-M99 HydrophobicContact CE1-CB 3.96Å; Y97-M99 HydrophobicContact CE2-CB 4.49Å; Y97-M99 VanDerWaalsContact OH-CB 3.3Å; Y97-M99 WeakPolarHBondContact OH-CB 3.32Å; Y97-M99 PolarHBondContact OH-SD 3.04Å; Y97-H116 AromaticContact CD1-CD2 3.82Å; Y97-H116 AromaticContact CE1-CD2 3.71Å; Y97-P118 VanDerWaalsContact O-CA 3.31Å; Y97-P118 WeakPolarHBondContact O-CA 3.34Å; Y97-E119 PolarHBondContact N-O 3.04Å; Y97-E119 PolarHBondContact O-N 2.84Å; Y97-V132 HydrophobicContact CE1-CG2 3.91Å; Y97-H150 HydrophobicContact CE2-CB 4.32Å; Y97-V164 HydrophobicContact CD2-CG1 4.49Å; Y97-V164 HydrophobicContact CD2-CG2 3.92Å; Y97-V164 HydrophobicContact CG-CG2 4.34Å; Y97-V166 HydrophobicContact CD2-CG1 4.04Å; Y97-V166 HydrophobicContact CE2-CG1 3.81Å
98Q97.3Very high95.8Very high57 Ų5733.5 Ų33.527%0.26617%0.173SC..EExtended strand (participates in β ladder)trans-145.7148.6169.258.2-178.369.300110.9L58 H150 G151L58-Q98 HydrophobicContact CD2-CG 3.86Å; Q98-H150 CarbonylContact O-C 3.6Å; Q98-H150 VanDerWaalsContact O-CA 3.32Å; Q98-H150 WeakPolarHBondContact O-CA 3.06Å; Q98-G151 PolarHBondContact N-O 3.01Å; Q98-G151 PolarHBondContact O-N 3.08Å
99M97.8Very high95.9Very high2 Ų239.6 Ų39.61%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-147138.4177.8171.2-172.6166.400110.5V83 D85 Y97 H116 V132 F148 E149 H150V83-M99 HydrophobicContact CB-CE 4.08Å; V83-M99 HydrophobicContact CG2-CE 3.64Å; D85-M99 HydrophobicContact CB-SD 3.91Å; Y97-M99 HydrophobicContact CE1-CB 3.96Å; Y97-M99 HydrophobicContact CE2-CB 4.49Å; Y97-M99 VanDerWaalsContact OH-CB 3.3Å; Y97-M99 WeakPolarHBondContact OH-CB 3.32Å; Y97-M99 PolarHBondContact OH-SD 3.04Å; M99-H116 HydrophobicContact CB-CB 4.07Å; M99-H116 WeakPolarHBondContact O-CB 3.07Å; M99-H116 PolarHBondContact O-N 2.83Å; M99-V132 HydrophobicContact SD-CG1 4.3Å; M99-F148 HydrophobicContact CE-CD2 3.81Å; M99-F148 HydrophobicContact CE-CE2 3.3Å; M99-F148 HydrophobicContact CE-CZ 4.16Å; M99-F148 HydrophobicContact SD-CE2 4.05Å; M99-F148 HydrophobicContact SD-CZ 4.35Å; M99-E149 CarbonylContact C-O 3.52Å; M99-E149 WeakPolarHBondContact CA-O 3.29Å; M99-H150 HydrophobicContact CB-CB 4.13Å; M99-H150 HydrophobicContact CG-CB 4.33Å
100T98.2Very high96.1Very high34 Ų3443.6 Ų43.621%0.20923%0.226CC..EExtended strand (participates in β ladder)trans-131.2136.4172.7-58.60000109.2E113 Y114 V115 E149T100-E113 HydrophobicContact CG2-CG 4.29Å; T100-Y114 CarbonylContact C-O 3.56Å; T100-Y114 WeakPolarHBondContact CA-O 3.5Å; T100-V115 HydrophobicContact CG2-CG2 4.18Å; T100-E149 PolarHBondContact N-O 3.26Å; T100-E149 PolarHBondContact O-N 3.05Å
101S98.2Very high96.3Very high0 Ų045.4 Ų45.40%024%0.237CC..EExtended strand (participates in β ladder)trans-134.2136170.2-172.70000110.9Y114 F136 S147S101-Y114 PolarHBondContact N-O 2.78Å; S101-Y114 PolarHBondContact O-N 3.34Å; S101-F136 WeakPolarHBondContact O-CZ 3.49Å; S101-S147 CarbonylContact C-O 3.58Å; S101-S147 WeakPolarHBondContact CA-O 3.44Å; S101-S147 PolarHBondContact OG-O 3.16Å
102C98.4Very high96.6Very high13 Ų1345.1 Ų45.19%0.08823%0.231CC..EExtended strand (participates in β ladder)trans-128.8134.9-176.9-52.10000110.4L104 V110 Q112 I146 S147C102-L104 HydrophobicContact CB-CD2 3.75Å; C102-L104 HydrophobicContact CB-CG 4.44Å; C102-V110 HydrophobicContact CB-CG1 4.43Å; C102-Q112 CarbonylContact C-O 3.55Å; C102-Q112 WeakPolarHBondContact CA-O 3.25Å; C102-I146 WeakPolarHBondContact O-CA 3.5Å; C102-S147 PolarHBondContact N-O 2.99Å; C102-S147 PolarHBondContact O-N 3.2Å
103L98.4Very high96.9Very high0 Ų047.7 Ų47.70%024%0.241CC..EExtended strand (participates in β ladder)trans-87.1127.7164.1-53.6-172.2000108V81 L111 Q112 F136 Y139 M143 I146V81-L103 HydrophobicContact CB-CD2 4.31Å; V81-L103 HydrophobicContact CG1-CD2 4.09Å; V81-L103 HydrophobicContact CG2-CD2 4.33Å; L103-L111 HydrophobicContact CB-CB 4.42Å; L103-L111 PolarHBondContact O-N 3.2Å; L103-Q112 HydrophobicContact CD1-CB 4.38Å; L103-Q112 PolarHBondContact N-O 3.1Å; L103-F136 HydrophobicContact CD1-CB 3.54Å; L103-F136 HydrophobicContact CD1-CD1 4Å; L103-F136 HydrophobicContact CD1-CD2 4.26Å; L103-F136 HydrophobicContact CD1-CG 3.69Å; L103-F136 HydrophobicContact CD2-CD2 3.82Å; L103-F136 HydrophobicContact CD2-CE2 4.06Å; L103-F136 HydrophobicContact CD2-CG 4.11Å; L103-F136 HydrophobicContact CG-CB 4.29Å; L103-F136 HydrophobicContact CG-CD1 4.02Å; L103-F136 HydrophobicContact CG-CD2 4.11Å; L103-F136 HydrophobicContact CG-CE1 4.31Å; L103-F136 HydrophobicContact CG-CE2 4.4Å; L103-F136 HydrophobicContact CG-CG 3.89Å; L103-F136 HydrophobicContact CG-CZ 4.48Å; L103-Y139 HydrophobicContact CD1-CD1 3.39Å; L103-Y139 HydrophobicContact CD1-CD2 3.82Å; L103-Y139 HydrophobicContact CD1-CE1 3.76Å; L103-Y139 HydrophobicContact CD1-CE2 4.17Å; L103-Y139 HydrophobicContact CD1-CG 3.43Å; L103-Y139 VanDerWaalsContact CD1-CG 3.43Å; L103-M143 HydrophobicContact CB-CG 4.32Å; L103-M143 HydrophobicContact CB-SD 4.24Å; L103-M143 HydrophobicContact CD1-SD 3.93Å; L103-M143 HydrophobicContact CD2-SD 3.76Å; L103-M143 HydrophobicContact CG-SD 4.18Å; L103-I146 HydrophobicContact CD2-CG1 3.98Å; L103-I146 HydrophobicContact CD2-CG2 4.25Å
104L98.4Very high97.2Very high15 Ų1549.9 Ų49.98%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-121.9148.1-174.7-45.4173.5000111.5C102 Q108 E109 V110 R144 F145C102-L104 HydrophobicContact CB-CD2 3.75Å; C102-L104 HydrophobicContact CB-CG 4.44Å; L104-Q108 HydrophobicContact CD1-CB 4.41Å; L104-E109 CarbonylContact C-O 3.5Å; L104-E109 VanDerWaalsContact CA-O 3.23Å; L104-E109 WeakPolarHBondContact CA-O 3.41Å; L104-V110 HydrophobicContact CD2-CB 4.29Å; L104-V110 HydrophobicContact CD2-CG2 3.69Å; L104-R144 PolarHBondContact O-N 3.45Å; L104-F145 HydrophobicContact CB-CB 4.12Å; L104-F145 HydrophobicContact CD1-CB 4.27Å; L104-F145 PolarHBondContact N-O 3.26Å; L104-F145 PolarHBondContact O-N 3.38Å
105D97.6Very high97.4Very high24 Ų2453.4 Ų53.413%0.12827%0.27CS..  trans-82.2-173.9174.984.6-14.2000113.2N107 Q108 E109 L111 G142 F145D105-N107 PolarHBondContact O-N 2.94Å; D105-N107 VanDerWaalsContact OD1-CA 3.31Å; D105-N107 WeakPolarHBondContact OD1-CA 3.43Å; D105-N107 WeakPolarHBondContact OD1-CB 3.46Å; D105-N107 PolarHBondContact OD1-N 3.03Å; D105-N107 PolarHBondContact OD2-ND2 3.46Å; D105-Q108 PolarHBondContact O-N 2.78Å; D105-Q108 PolarHBondContact OD1-N 3.06Å; D105-E109 PolarHBondContact N-O 2.93Å; D105-E109 WeakPolarHBondContact OD1-CB 3.31Å; D105-E109 PolarHBondContact OD1-N 2.84Å; D105-L111 HydrophobicContact CB-CD1 4.22Å; D105-L111 HydrophobicContact CB-CD2 4.05Å; D105-L111 HydrophobicContact CB-CG 4.13Å; D105-G142 WeakPolarHBondContact CA-O 3.2Å; D105-F145 VanDerWaalsContact O-CD2 3.26Å; D105-F145 WeakPolarHBondContact O-CD2 3.07Å
106E96.6Very high97.4Very high146 Ų14654.8 Ų54.868%0.68228%0.277SS*.THydrogen-bonded Turntrans-61.4-24.717871.2-178.5125.800114.3Q108 R144E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-R144 HydrophobicContact CB-CG 3.96Å
107N96.3Very high97.2Very high110 Ų11060.1 Ų60.159%0.58830%0.304SS*.THydrogen-bonded Turntrans-92.84.8178.2-55.7-64.8000112.3D105 E109D105-N107 PolarHBondContact O-N 2.94Å; D105-N107 VanDerWaalsContact OD1-CA 3.31Å; D105-N107 WeakPolarHBondContact OD1-CA 3.43Å; D105-N107 WeakPolarHBondContact OD1-CB 3.46Å; D105-N107 PolarHBondContact OD1-N 3.03Å; D105-N107 PolarHBondContact OD2-ND2 3.46Å; N107-E109 HydrophobicContact CB-CG 4.15Å; N107-E109 PolarHBondContact O-N 2.95Å
108Q94.3Very high96.9Very high123 Ų12364.1 Ų64.158%0.57533%0.33SS*.  trans62.523.9-171.1-54.2-176.12.400113.9L104 D105 E106 F145L104-Q108 HydrophobicContact CD1-CB 4.41Å; D105-Q108 PolarHBondContact O-N 2.78Å; D105-Q108 PolarHBondContact OD1-N 3.06Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; Q108-F145 HydrophobicContact CG-CD2 4.3Å; Q108-F145 HydrophobicContact CG-CE2 4.31Å
109E97.3Very high96.7Very high128 Ų12863.9 Ų63.960%0.59833%0.329SS*.  trans-78.3141.7170.1-62.6-165.6120.800110.3L104 D105 N107 L111L104-E109 CarbonylContact C-O 3.5Å; L104-E109 VanDerWaalsContact CA-O 3.23Å; L104-E109 WeakPolarHBondContact CA-O 3.41Å; D105-E109 PolarHBondContact N-O 2.93Å; D105-E109 WeakPolarHBondContact OD1-CB 3.31Å; D105-E109 PolarHBondContact OD1-N 2.84Å; N107-E109 HydrophobicContact CB-CG 4.15Å; N107-E109 PolarHBondContact O-N 2.95Å; E109-L111 PolarHBondContact O-N 3.43Å
110V97.9Very high96.6Very high84 Ų8468 Ų6851%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-73.5119.3-177.1179.70000110.4C102 L104 E113C102-V110 HydrophobicContact CB-CG1 4.43Å; L104-V110 HydrophobicContact CD2-CB 4.29Å; L104-V110 HydrophobicContact CD2-CG2 3.69Å; V110-E113 HydrophobicContact CG1-CB 3.99Å
111L97.5Very high96.3Very high61 Ų6166.5 Ų66.532%0.31935%0.345SS..EExtended strand (participates in β ladder)trans-84.9-47.7171.4-63175.7000111.2L103 D105 E109 M143L103-L111 HydrophobicContact CB-CB 4.42Å; L103-L111 PolarHBondContact O-N 3.2Å; D105-L111 HydrophobicContact CB-CD1 4.22Å; D105-L111 HydrophobicContact CB-CD2 4.05Å; D105-L111 HydrophobicContact CB-CG 4.13Å; E109-L111 PolarHBondContact O-N 3.43Å; L111-M143 HydrophobicContact CD1-CB 3.97Å
112Q97.9Very high96Very high62 Ų6270.4 Ų70.429%0.2937%0.366SS..EExtended strand (participates in β ladder)trans-147.6141.8177.3-166.2169.148.600109.3C102 L103 F136 S137C102-Q112 CarbonylContact C-O 3.55Å; C102-Q112 WeakPolarHBondContact CA-O 3.25Å; L103-Q112 HydrophobicContact CD1-CB 4.38Å; L103-Q112 PolarHBondContact N-O 3.1Å; Q112-F136 HydrophobicContact CB-CD1 4.27Å; Q112-F136 HydrophobicContact CG-CD1 3.89Å; Q112-F136 HydrophobicContact CG-CE1 4.23Å; Q112-F136 VanDerWaalsContact OE1-CD1 3.3Å; Q112-S137 PolarHBondContact OE1-O 2.85Å
113E98.1Very high95.5Very high116 Ų11671.8 Ų71.854%0.54238%0.375SS..EExtended strand (participates in β ladder)trans-124.5139.2179.7177.7177.4-113.500109.7T100 V110 V115T100-E113 HydrophobicContact CG2-CG 4.29Å; V110-E113 HydrophobicContact CG1-CB 3.99Å; E113-V115 HydrophobicContact CG-CG2 3.85Å
114Y97.9Very high95Very high47 Ų4780.9 Ų80.918%0.18442%0.418CS..EExtended strand (participates in β ladder)trans-119.5116.1167174.1-110.3000108.7T100 S101 H116 V132 H134T100-Y114 CarbonylContact C-O 3.56Å; T100-Y114 WeakPolarHBondContact CA-O 3.5Å; S101-Y114 PolarHBondContact N-O 2.78Å; S101-Y114 PolarHBondContact O-N 3.34Å; Y114-H116 HydrophobicContact CE1-CB 4.04Å; Y114-H116 PolarHBondContact OH-ND1 3.17Å; Y114-H116 VanDerWaalsContact OH-ND1 3.14Å; Y114-V132 HydrophobicContact CE1-CG1 4.24Å; Y114-H134 HydrophobicContact CD1-CB 3.74Å; Y114-H134 AromaticContact CD1-CG 3.83Å; Y114-H134 HydrophobicContact CD2-CB 4.19Å; Y114-H134 AromaticContact CD2-CD2 3.86Å; Y114-H134 AromaticContact CD2-CE1 3.63Å; Y114-H134 AromaticContact CD2-CG 3.55Å; Y114-H134 AromaticContact CD2-ND1 3.41Å; Y114-H134 WeakPolarHBondContact CD2-ND1 3.38Å; Y114-H134 AromaticContact CD2-NE2 3.91Å; Y114-H134 HydrophobicContact CE1-CB 3.69Å; Y114-H134 HydrophobicContact CE2-CB 4.15Å; Y114-H134 AromaticContact CE2-CG 3.88Å; Y114-H134 AromaticContact CE2-ND1 3.62Å; Y114-H134 HydrophobicContact CG-CB 3.99Å; Y114-H134 AromaticContact CG-CD2 3.55Å; Y114-H134 AromaticContact CG-CG 3.53Å; Y114-H134 AromaticContact CG-ND1 3.9Å; Y114-H134 AromaticContact CG-NE2 3.94Å
115V97.4Very high94.5Very high76 Ų7683.2 Ų83.246%0.46144%0.439SS..EExtended strand (participates in β ladder)trans-106.4120.1169.1-174.50000107.3T100 E113T100-V115 HydrophobicContact CG2-CG2 4.18Å; E113-V115 HydrophobicContact CG-CG2 3.85Å
116H95.4Very high94Very high29 Ų2986.2 Ų86.213%0.13446%0.455CS..EExtended strand (participates in β ladder)trans-74.5128.2169.3-17474.2000108.7Y97 M99 Y114 E119Y97-H116 AromaticContact CD1-CD2 3.82Å; Y97-H116 AromaticContact CE1-CD2 3.71Å; M99-H116 HydrophobicContact CB-CB 4.07Å; M99-H116 WeakPolarHBondContact O-CB 3.07Å; M99-H116 PolarHBondContact O-N 2.83Å; Y114-H116 HydrophobicContact CE1-CB 4.04Å; Y114-H116 PolarHBondContact OH-ND1 3.17Å; Y114-H116 VanDerWaalsContact OH-ND1 3.14Å; H116-E119 IonicContact NE2-OE2 3.68Å
117D92.6Very high93.6Very high135 Ų13579.3 Ų79.372%0.72242%0.422SS*.EExtended strand (participates in β ladder)trans-55.5130.5175.5-73.2-46000109.6E119D117-E119 PolarHBondContact O-N 3.16Å; D117-E119 VanDerWaalsContact O-N 3.17Å
118P91.7Very high93.4Very high85 Ų8575.6 Ų75.655%0.55241%0.405SS*.EExtended strand (participates in β ladder)trans-55.7125-178.7-27.634.7000111.6T96 Y97T96-P118 HydrophobicContact CG2-CB 4.13Å; Y97-P118 VanDerWaalsContact O-CA 3.31Å; Y97-P118 WeakPolarHBondContact O-CA 3.34Å
119E93.8Very high93.4Very high51 Ų5170.9 Ų70.924%0.23838%0.382CS..EExtended strand (participates in β ladder)trans-107.5119.2-176.6-168.3175.3130.900110F87 T96 Y97 H116 D117 R130F87-E119 HydrophobicContact CE2-CB 4.38Å; F87-E119 HydrophobicContact CE2-CG 4.41Å; F87-E119 HydrophobicContact CZ-CB 4.48Å; F87-E119 HydrophobicContact CZ-CG 4.48Å; F87-E119 WeakPolarHBondContact CZ-OE1 3.12Å; T96-E119 CarbonylContact C-O 3.53Å; T96-E119 WeakPolarHBondContact CA-O 3.33Å; Y97-E119 PolarHBondContact N-O 3.04Å; Y97-E119 PolarHBondContact O-N 2.84Å; H116-E119 IonicContact NE2-OE2 3.68Å; D117-E119 PolarHBondContact O-N 3.16Å; D117-E119 VanDerWaalsContact O-N 3.17Å; E119-R130 WeakPolarHBondContact OE1-CD 3.43Å; E119-R130 IonicContact OE1-CZ 3.36Å; E119-R130 IonicContact OE1-NE 3.66Å; E119-R130 IonicContact OE1-NH1 2.61Å; E119-R130 PolarHBondContact OE1-NH1 3.46Å
120T94.3Very high93.3Very high90 Ų9068.9 Ų68.955%0.55237%0.369SS*.EExtended strand (participates in β ladder)trans-93.1121.5173.7-56.70000110.1C95 T96 T155C95-T120 CarbonylContact O-C 3.56Å; C95-T120 WeakPolarHBondContact O-CA 3.25Å; T96-T120 PolarHBondContact OG1-OG1 2.71Å; T120-T155 HydrophobicContact CG2-CG2 4.01Å
121L93.1Very high93.2Very high2 Ų269.1 Ų69.11%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-91.5118.8174.9-67.2165.2000109.1F87 G94 C95F87-L121 HydrophobicContact CD2-CD1 3.86Å; F87-L121 HydrophobicContact CE2-CD1 3.99Å; F87-L121 HydrophobicContact CE2-CD2 4.3Å; F87-L121 HydrophobicContact CE2-CG 4.31Å; G94-L121 WeakPolarHBondContact CA-O 3.45Å; C95-L121 PolarHBondContact N-O 2.77Å; C95-L121 PolarHBondContact O-N 2.84Å
122D90.6Very high93.1Very high82 Ų8266.6 Ų66.644%0.43935%0.352SS..PPolyproline II helixtrans-90.7126.1176-171.9-30.7000109.5E124 A125 C127D122-E124 PolarHBondContact O-N 3.21Å; D122-E124 WeakPolarHBondContact OD1-CB 3.41Å; D122-E124 PolarHBondContact OD1-N 3.36Å; D122-A125 HydrophobicContact CB-CB 4.09Å; D122-A125 WeakPolarHBondContact O-CA 3.5Å; D122-A125 WeakPolarHBondContact O-CB 3.23Å; D122-A125 PolarHBondContact O-N 3.28Å; D122-C127 PolarHBondContact O-SG 2.87Å; D122-C127 VanDerWaalsContact O-SG 3.36Å
123P88.8Confident93.1Very high42 Ų4267.5 Ų67.527%0.27336%0.362SS..THydrogen-bonded Turntrans-64.1-19.6179.727.9-35.7000113.6T91 A125T91-P123 WeakPolarHBondContact O-CB 3.44Å; P123-A125 VanDerWaalsContact C-N 3.26Å
124E87.1Confident93.1Very high191 Ų19164.4 Ų64.489%0.89335%0.347SS*.THydrogen-bonded Turntrans-78.7-12172-59.2-163.3128.100112.8D122D122-E124 PolarHBondContact O-N 3.21Å; D122-E124 WeakPolarHBondContact OD1-CB 3.41Å; D122-E124 PolarHBondContact OD1-N 3.36Å
125A88.1Confident93.1Very high63 Ų6365.2 Ų65.252%0.52136%0.357SS..SBendtrans-103.2-160.9177.100000111.6D122 P123 C127D122-A125 HydrophobicContact CB-CB 4.09Å; D122-A125 WeakPolarHBondContact O-CA 3.5Å; D122-A125 WeakPolarHBondContact O-CB 3.23Å; D122-A125 PolarHBondContact O-N 3.28Å; P123-A125 VanDerWaalsContact C-N 3.26Å; A125-C127 PolarHBondContact O-N 2.95Å
126D86.4Confident93.1Very high87 Ų8761.6 Ų61.647%0.46534%0.335SS..  trans-84.7103.3179-177.412.4000111.4S128 R130D126-S128 VanDerWaalsContact C-N 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.15Å; D126-S128 PolarHBondContact OD1-N 3.21Å; D126-S128 PolarHBondContact OD1-OG 2.85Å; D126-S128 PolarHBondContact OD2-OG 3.39Å; D126-S128 VanDerWaalsContact OD2-OG 3.06Å; D126-R130 PolarHBondContact O-NH2 3.24Å
127C89.3Confident93.1Very high1 Ų163.3 Ų63.31%0.00735%0.35CS..  trans-90.514.9174.4-75.90000113.7H39 C88 G89 R90 D122 A125H39-C127 VanDerWaalsContact CD2-C 3.46Å; H39-C127 PolarHBondContact CD2-O 2.92Å; H39-C127 VanDerWaalsContact CD2-O 3.24Å; C88-C127 WeakPolarHBondContact CB-O 3.22Å; G89-C127 PolarHBondContact N-O 2.62Å; R90-C127 PolarHBondContact O-SG 2.73Å; D122-C127 PolarHBondContact O-SG 2.87Å; D122-C127 VanDerWaalsContact O-SG 3.36Å; A125-C127 PolarHBondContact O-N 2.95Å
128S91.6Very high93.2Very high32 Ų3263.8 Ų63.822%0.22435%0.353CS..SBendtrans-64.4166.5178.1700000113.1H39 D126 R130H39-S128 VanDerWaalsContact CD2-CA 3.49Å; H39-S128 WeakPolarHBondContact CD2-CA 3.14Å; H39-S128 PolarHBondContact NE2-N 3.33Å; D126-S128 VanDerWaalsContact C-N 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.15Å; D126-S128 PolarHBondContact OD1-N 3.21Å; D126-S128 PolarHBondContact OD1-OG 2.85Å; D126-S128 PolarHBondContact OD2-OG 3.39Å; D126-S128 VanDerWaalsContact OD2-OG 3.06Å; S128-R130 PolarHBondContact O-N 2.92Å
129W94.8Very high93.3Very high24 Ų2460.5 Ų60.59%0.09133%0.329CS..  trans-61.9120.5179.3-71.2100.5000111.8M33 H39 F41 Y49 W86 C88 R165 T167M33-W129 HydrophobicContact CE-CH2 3.72Å; M33-W129 HydrophobicContact CE-CZ2 3.12Å; M33-W129 HydrophobicContact SD-CZ2 3.71Å; H39-W129 PolarHBondContact O-NE1 2.83Å; F41-W129 HydrophobicContact CD2-CB 4.07Å; F41-W129 AromaticContact CD2-CD1 3.86Å; F41-W129 AromaticContact CD2-CD2 3.55Å; F41-W129 HydrophobicContact CD2-CD2 3.55Å; F41-W129 AromaticContact CD2-CE2 3.88Å; F41-W129 HydrophobicContact CD2-CE3 4.01Å; F41-W129 AromaticContact CD2-CG 3.57Å; F41-W129 HydrophobicContact CD2-CG 3.57Å; F41-W129 HydrophobicContact CE2-CB 4.32Å; F41-W129 AromaticContact CE2-CD2 4Å; F41-W129 HydrophobicContact CE2-CD2 4Å; F41-W129 HydrophobicContact CE2-CE3 4.01Å; F41-W129 HydrophobicContact CE2-CG 4.15Å; Y49-W129 HydrophobicContact CD1-CZ2 4.49Å; Y49-W129 HydrophobicContact CG-CH2 4.29Å; Y49-W129 HydrophobicContact CG-CZ2 4.44Å; W86-W129 HydrophobicContact CB-CE3 3.99Å; W86-W129 HydrophobicContact CB-CZ3 4.33Å; W86-W129 HydrophobicContact CE3-CB 4.07Å; W86-W129 HydrophobicContact CZ3-CB 4.39Å; C88-W129 HydrophobicContact CB-CB 4.45Å; C88-W129 HydrophobicContact CB-CD2 3.59Å; C88-W129 HydrophobicContact CB-CE3 3.72Å; C88-W129 HydrophobicContact CB-CG 3.93Å; C88-W129 HydrophobicContact CB-CZ2 4.4Å; C88-W129 HydrophobicContact CB-CZ3 4.2Å; C88-W129 WeakPolarHBondContact SG-CZ2 3.34Å; W129-R165 HydrophobicContact CH2-CB 3.95Å; W129-R165 HydrophobicContact CZ2-CB 4.49Å; W129-T167 HydrophobicContact CE3-CG2 4.35Å; W129-T167 HydrophobicContact CH2-CG2 3.71Å; W129-T167 HydrophobicContact CZ2-CG2 4.43Å; W129-T167 HydrophobicContact CZ3-CG2 3.66Å
130R94.4Very high93.4Very high86 Ų8659 Ų5933%0.32533%0.328SS..EExtended strand (participates in β ladder)trans-110.2147.2175.7-62.5176.7-171.7-163.41.4109.4W86 F87 E119 D126 S128W86-R130 VanDerWaalsContact CA-O 3.29Å; W86-R130 WeakPolarHBondContact CA-O 3.49Å; F87-R130 HydrophobicContact CD1-CB 4.29Å; F87-R130 HydrophobicContact CE1-CB 3.71Å; F87-R130 HydrophobicContact CE2-CB 4.42Å; F87-R130 HydrophobicContact CZ-CB 3.8Å; F87-R130 PolarHBondContact N-O 3.39Å; F87-R130 PolarHBondContact O-N 3.11Å; E119-R130 WeakPolarHBondContact OE1-CD 3.43Å; E119-R130 IonicContact OE1-CZ 3.36Å; E119-R130 IonicContact OE1-NE 3.66Å; E119-R130 IonicContact OE1-NH1 2.61Å; E119-R130 PolarHBondContact OE1-NH1 3.46Å; D126-R130 PolarHBondContact O-NH2 3.24Å; S128-R130 PolarHBondContact O-N 2.92Å
131Q95.8Very high93.5Very high89 Ų8958.8 Ų58.842%0.41633%0.328SS..EExtended strand (participates in β ladder)trans-108.1128.3176-175.2170.957.100110.2D85 W86D85-Q131 CarbonylContact O-C 3.58Å; D85-Q131 WeakPolarHBondContact O-CA 3.41Å; W86-Q131 HydrophobicContact CD2-CB 3.84Å; W86-Q131 HydrophobicContact CD2-CG 4.2Å; W86-Q131 VanDerWaalsContact CE2-NE2 3.3Å; W86-Q131 HydrophobicContact CE3-CB 3.8Å; W86-Q131 HydrophobicContact CH2-CB 3.79Å; W86-Q131 HydrophobicContact CH2-CG 4.5Å; W86-Q131 HydrophobicContact CZ2-CB 3.81Å; W86-Q131 VanDerWaalsContact CZ2-CD 3.49Å; W86-Q131 HydrophobicContact CZ2-CG 4.03Å; W86-Q131 HydrophobicContact CZ3-CB 3.79Å
132V96.4Very high93.6Very high9 Ų959.6 Ų59.66%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-92.9138.6162-176.40000108.3K84 D85 F87 Y97 M99 Y114K84-V132 WeakPolarHBondContact CA-O 3.38Å; D85-V132 PolarHBondContact N-O 3.16Å; D85-V132 PolarHBondContact O-N 2.88Å; F87-V132 HydrophobicContact CD1-CG2 3.96Å; F87-V132 HydrophobicContact CE1-CG2 3.49Å; F87-V132 VanDerWaalsContact CE1-CG2 3.49Å; Y97-V132 HydrophobicContact CE1-CG2 3.91Å; M99-V132 HydrophobicContact SD-CG1 4.3Å; Y114-V132 HydrophobicContact CE1-CG1 4.24Å
133T97.3Very high93.9Very high80 Ų8055.7 Ų55.749%0.49132%0.316SS..EExtended strand (participates in β ladder)trans-139.4132.9172.4-173.90000109.5V83V83-T133 WeakPolarHBondContact O-CA 3.4Å
134H97.9Very high94.4Very high52 Ų5255.4 Ų55.424%0.24131%0.309CS..EExtended strand (participates in β ladder)trans-139.3141.5173.2-178.775.2000109.6T82 V83 Y114 F136T82-H134 CarbonylContact C-O 3.6Å; T82-H134 WeakPolarHBondContact CA-O 3.34Å; V83-H134 HydrophobicContact CG2-CB 3.82Å; V83-H134 PolarHBondContact N-O 3.4Å; V83-H134 PolarHBondContact O-N 2.75Å; Y114-H134 HydrophobicContact CD1-CB 3.74Å; Y114-H134 AromaticContact CD1-CG 3.83Å; Y114-H134 HydrophobicContact CD2-CB 4.19Å; Y114-H134 AromaticContact CD2-CD2 3.86Å; Y114-H134 AromaticContact CD2-CE1 3.63Å; Y114-H134 AromaticContact CD2-CG 3.55Å; Y114-H134 AromaticContact CD2-ND1 3.41Å; Y114-H134 WeakPolarHBondContact CD2-ND1 3.38Å; Y114-H134 AromaticContact CD2-NE2 3.91Å; Y114-H134 HydrophobicContact CE1-CB 3.69Å; Y114-H134 HydrophobicContact CE2-CB 4.15Å; Y114-H134 AromaticContact CE2-CG 3.88Å; Y114-H134 AromaticContact CE2-ND1 3.62Å; Y114-H134 HydrophobicContact CG-CB 3.99Å; Y114-H134 AromaticContact CG-CD2 3.55Å; Y114-H134 AromaticContact CG-CG 3.53Å; Y114-H134 AromaticContact CG-ND1 3.9Å; Y114-H134 AromaticContact CG-NE2 3.94Å; H134-F136 AromaticContact CD2-CD1 3.87Å; H134-F136 AromaticContact CD2-CD2 3.95Å; H134-F136 AromaticContact CD2-CE1 3.79Å; H134-F136 AromaticContact CD2-CE2 3.84Å; H134-F136 AromaticContact CD2-CG 3.98Å; H134-F136 AromaticContact CD2-CZ 3.78Å; H134-F136 AromaticContact NE2-CD1 3.56Å; H134-F136 AromaticContact NE2-CE1 3.69Å; H134-F136 AromaticContact NE2-CG 3.97Å
135T98Very high94.9Very high63 Ų6347.9 Ų47.939%0.38727%0.273SS..EExtended strand (participates in β ladder)trans-123.9114.9177.2-59.10000108.9P80 V81 T82P80-T135 HydrophobicContact CB-CG2 4.07Å; V81-T135 CarbonylContact O-C 3.59Å; V81-T135 VanDerWaalsContact O-CA 3.27Å; V81-T135 WeakPolarHBondContact O-CA 3.36Å; T82-T135 WeakPolarHBondContact OG1-CG2 3.44Å; T82-T135 PolarHBondContact OG1-OG1 3.28Å
136F97.7Very high95.4Very high1 Ų144.9 Ų44.90%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-74.1137.8172.6-60.2-83.9000109.9V81 V83 S101 L103 Q112 H134 Y139V81-F136 HydrophobicContact CB-CB 4.22Å; V81-F136 HydrophobicContact CB-CD2 4.12Å; V81-F136 HydrophobicContact CG1-CD2 4.15Å; V81-F136 PolarHBondContact N-O 3.13Å; V81-F136 PolarHBondContact O-N 2.96Å; V83-F136 HydrophobicContact CG1-CD2 4.4Å; V83-F136 HydrophobicContact CG1-CE2 3.87Å; V83-F136 HydrophobicContact CG2-CE2 4.18Å; S101-F136 WeakPolarHBondContact O-CZ 3.49Å; L103-F136 HydrophobicContact CD1-CB 3.54Å; L103-F136 HydrophobicContact CD1-CD1 4Å; L103-F136 HydrophobicContact CD1-CD2 4.26Å; L103-F136 HydrophobicContact CD1-CG 3.69Å; L103-F136 HydrophobicContact CD2-CD2 3.82Å; L103-F136 HydrophobicContact CD2-CE2 4.06Å; L103-F136 HydrophobicContact CD2-CG 4.11Å; L103-F136 HydrophobicContact CG-CB 4.29Å; L103-F136 HydrophobicContact CG-CD1 4.02Å; L103-F136 HydrophobicContact CG-CD2 4.11Å; L103-F136 HydrophobicContact CG-CE1 4.31Å; L103-F136 HydrophobicContact CG-CE2 4.4Å; L103-F136 HydrophobicContact CG-CG 3.89Å; L103-F136 HydrophobicContact CG-CZ 4.48Å; Q112-F136 HydrophobicContact CB-CD1 4.27Å; Q112-F136 HydrophobicContact CG-CD1 3.89Å; Q112-F136 HydrophobicContact CG-CE1 4.23Å; Q112-F136 VanDerWaalsContact OE1-CD1 3.3Å; H134-F136 AromaticContact CD2-CD1 3.87Å; H134-F136 AromaticContact CD2-CD2 3.95Å; H134-F136 AromaticContact CD2-CE1 3.79Å; H134-F136 AromaticContact CD2-CE2 3.84Å; H134-F136 AromaticContact CD2-CG 3.98Å; H134-F136 AromaticContact CD2-CZ 3.78Å; H134-F136 AromaticContact NE2-CD1 3.56Å; H134-F136 AromaticContact NE2-CE1 3.69Å; H134-F136 AromaticContact NE2-CG 3.97Å; F136-Y139 HydrophobicContact CB-CD1 3.97Å; F136-Y139 HydrophobicContact CB-CE1 4.26Å
137S95Very high96Very high64 Ų6441.4 Ų41.445%0.44823%0.231SC..  trans-152.2157.417750.90000108.8Q112 Y139Q112-S137 PolarHBondContact OE1-O 2.85Å; S137-Y139 PolarHBondContact O-N 3.23Å; S137-Y139 VanDerWaalsContact O-N 3.15Å
138D94.5Very high96.4Very high145 Ų14541.3 Ų41.378%0.77523%0.231SC*.SBendtrans53.934.2177.1-56.4-44.3000114.1G140D138-G140 VanDerWaalsContact C-N 3.34Å
139Y95.4Very high96.7Very high17 Ų1741.6 Ų41.67%0.06723%0.228CC..  trans-84.3-2.6-177.846.7-97.1000114.7Q78 P79 V81 L103 F136 S137 M143Q78-Y139 VanDerWaalsContact C-OH 3.24Å; Q78-Y139 WeakPolarHBondContact CA-OH 3.37Å; Q78-Y139 HydrophobicContact CB-CE2 4.16Å; Q78-Y139 HydrophobicContact CG-CD2 4.29Å; Q78-Y139 HydrophobicContact CG-CE2 4.02Å; P79-Y139 VanDerWaalsContact CD-OH 3.29Å; P79-Y139 WeakPolarHBondContact CD-OH 3.42Å; P79-Y139 PolarHBondContact O-OH 3.13Å; V81-Y139 HydrophobicContact CG2-CE1 4.35Å; L103-Y139 HydrophobicContact CD1-CD1 3.39Å; L103-Y139 HydrophobicContact CD1-CD2 3.82Å; L103-Y139 HydrophobicContact CD1-CE1 3.76Å; L103-Y139 HydrophobicContact CD1-CE2 4.17Å; L103-Y139 HydrophobicContact CD1-CG 3.43Å; L103-Y139 VanDerWaalsContact CD1-CG 3.43Å; F136-Y139 HydrophobicContact CB-CD1 3.97Å; F136-Y139 HydrophobicContact CB-CE1 4.26Å; S137-Y139 PolarHBondContact O-N 3.23Å; S137-Y139 VanDerWaalsContact O-N 3.15Å; Y139-M143 HydrophobicContact CD2-CB 4.42Å; Y139-M143 HydrophobicContact CE2-CB 3.93Å; Y139-M143 HydrophobicContact CE2-CE 4.15Å; Y139-M143 HydrophobicContact CE2-SD 3.98Å; Y139-M143 WeakPolarHBondContact OH-CE 3.29Å
140G95.2Very high96.9Very high20 Ų2040.4 Ų40.421%0.20622%0.224CC..  trans83.1164.1-175.600000113.6Q78 D138Q78-G140 WeakPolarHBondContact CG-O 3.29Å; Q78-G140 VanDerWaalsContact OE1-CA 3.31Å; D138-G140 VanDerWaalsContact C-N 3.34Å
141P95.4Very high97.1Very high84 Ų8436.3 Ų36.355%0.54521%0.209SC..SBendtrans-70.4167.6178.132.4-36.5000111.5D76D76-P141 HydrophobicContact CB-CB 3.97Å
142G95.6Very high97.1Very high19 Ų1932.1 Ų32.120%0.19619%0.189CC..  trans101.8-1.2171.800000115.2D76 D105 R144D76-G142 WeakPolarHBondContact OD1-CA 3.45Å; D76-G142 PolarHBondContact OD1-N 3.43Å; D105-G142 WeakPolarHBondContact CA-O 3.2Å; G142-R144 PolarHBondContact O-N 3.02Å
143M97.7Very high97.1Very high0 Ų036.7 Ų36.70%021%0.206CC..  trans-59126.2175.9-177-175.862.600110.7L65 L75 P79 V81 L103 L111 Y139 I146L65-M143 HydrophobicContact CD1-CE 3.57Å; L65-M143 HydrophobicContact CD1-CG 3.88Å; L65-M143 HydrophobicContact CD1-SD 3.97Å; L75-M143 WeakPolarHBondContact CB-O 3.42Å; L75-M143 VanDerWaalsContact CD1-O 3.3Å; L75-M143 WeakPolarHBondContact CD1-O 3.19Å; L75-M143 HydrophobicContact CD2-CE 3.95Å; P79-M143 HydrophobicContact CG-CE 4.43Å; V81-M143 HydrophobicContact CG2-CE 3.77Å; V81-M143 HydrophobicContact CG2-SD 3.75Å; L103-M143 HydrophobicContact CB-CG 4.32Å; L103-M143 HydrophobicContact CB-SD 4.24Å; L103-M143 HydrophobicContact CD1-SD 3.93Å; L103-M143 HydrophobicContact CD2-SD 3.76Å; L103-M143 HydrophobicContact CG-SD 4.18Å; L111-M143 HydrophobicContact CD1-CB 3.97Å; Y139-M143 HydrophobicContact CD2-CB 4.42Å; Y139-M143 HydrophobicContact CE2-CB 3.93Å; Y139-M143 HydrophobicContact CE2-CE 4.15Å; Y139-M143 HydrophobicContact CE2-SD 3.98Å; Y139-M143 WeakPolarHBondContact OH-CE 3.29Å; M143-I146 HydrophobicContact SD-CG1 4.32Å
144R98.1Very high97Very high37 Ų3732.9 Ų32.914%0.1418%0.182CC..  trans-127.8-29.8176.5-61.9-58.7173.6-102.5-0.3112.9L65 D76 L104 E106 G142L65-R144 VanDerWaalsContact CB-O 3.3Å; L65-R144 WeakPolarHBondContact CB-O 3.22Å; L65-R144 WeakPolarHBondContact CG-O 3.29Å; L65-R144 PolarHBondContact N-O 3.48Å; D76-R144 IonicContact OD1-CZ 3.42Å; D76-R144 IonicContact OD1-NH1 2.8Å; D76-R144 PolarHBondContact OD1-NH1 2.8Å; D76-R144 IonicContact OD1-NH2 3.08Å; D76-R144 PolarHBondContact OD1-NH2 3.36Å; D76-R144 VanDerWaalsContact OD1-NH2 3.08Å; D76-R144 IonicContact OD2-NH2 3.21Å; D76-R144 PolarHBondContact OD2-NH2 2.87Å; L104-R144 PolarHBondContact O-N 3.45Å; E106-R144 HydrophobicContact CB-CG 3.96Å; G142-R144 PolarHBondContact O-N 3.02Å
145F98.4Very high96.7Very high32 Ų3233.4 Ų33.414%0.1419%0.189CC..EExtended strand (participates in β ladder)trans-128156.2177.4-48.9-95.4000112V62 I63 D64 L104 D105 Q108V62-F145 HydrophobicContact CG1-CB 4.08Å; V62-F145 HydrophobicContact CG1-CD1 4.21Å; V62-F145 HydrophobicContact CG1-CG 4.47Å; I63-F145 WeakPolarHBondContact O-CA 3.42Å; I63-F145 WeakPolarHBondContact O-CB 3.49Å; D64-F145 HydrophobicContact CB-CD1 3.88Å; D64-F145 HydrophobicContact CB-CE1 3.75Å; D64-F145 VanDerWaalsContact OD2-CE1 3.27Å; D64-F145 WeakPolarHBondContact OD2-CE1 3.12Å; L104-F145 HydrophobicContact CB-CB 4.12Å; L104-F145 HydrophobicContact CD1-CB 4.27Å; L104-F145 PolarHBondContact N-O 3.26Å; L104-F145 PolarHBondContact O-N 3.38Å; D105-F145 VanDerWaalsContact O-CD2 3.26Å; D105-F145 WeakPolarHBondContact O-CD2 3.07Å; Q108-F145 HydrophobicContact CG-CD2 4.3Å; Q108-F145 HydrophobicContact CG-CE2 4.31Å
146I98.5Very high96.3Very high0 Ų032.8 Ų32.80%019%0.187CC..EExtended strand (participates in β ladder)trans-123.3121.8168.3-54.8169.1000107.8V62 I63 L65 V81 C102 L103 M143 V171 V173V62-I146 WeakPolarHBondContact CA-O 3.22Å; I63-I146 HydrophobicContact CB-CB 4.39Å; I63-I146 HydrophobicContact CD1-CB 4.31Å; I63-I146 PolarHBondContact N-O 2.92Å; I63-I146 PolarHBondContact O-N 3.02Å; L65-I146 HydrophobicContact CD1-CD1 4.21Å; L65-I146 HydrophobicContact CD1-CG1 4.12Å; L65-I146 HydrophobicContact CD2-CD1 3.83Å; L65-I146 HydrophobicContact CD2-CG1 4.3Å; L65-I146 HydrophobicContact CG-CD1 4.43Å; L65-I146 HydrophobicContact CG-CG1 4.41Å; V81-I146 HydrophobicContact CG1-CD1 3.6Å; V81-I146 HydrophobicContact CG2-CD1 4.45Å; C102-I146 WeakPolarHBondContact O-CA 3.5Å; L103-I146 HydrophobicContact CD2-CG1 3.98Å; L103-I146 HydrophobicContact CD2-CG2 4.25Å; M143-I146 HydrophobicContact SD-CG1 4.32Å; I146-V171 HydrophobicContact CD1-CG1 3.68Å; I146-V171 HydrophobicContact CG2-CG1 4.02Å; I146-V173 HydrophobicContact CD1-CG2 3.86Å
147S98.4Very high96.1Very high14 Ų1439.6 Ų39.610%0.09821%0.214CC..EExtended strand (participates in β ladder)trans-93.3132.4168.6-165.80000109.5S101 C102S101-S147 CarbonylContact C-O 3.58Å; S101-S147 WeakPolarHBondContact CA-O 3.44Å; S101-S147 PolarHBondContact OG-O 3.16Å; C102-S147 PolarHBondContact N-O 2.99Å; C102-S147 PolarHBondContact O-N 3.2Å
148F98.6Very high95.8Very high0 Ų042.5 Ų42.50%022%0.215CC..EExtended strand (participates in β ladder)trans-128.6120.3172.8177.5-81.1000108.1L6 W18 R60 Q61 D85 M99 H150 V171L6-F148 HydrophobicContact CD1-CD1 4.03Å; L6-F148 HydrophobicContact CD1-CD2 4.29Å; L6-F148 HydrophobicContact CD1-CE1 4.16Å; L6-F148 HydrophobicContact CD1-CE2 4.37Å; L6-F148 HydrophobicContact CD1-CG 4.11Å; L6-F148 HydrophobicContact CD1-CZ 4.34Å; L6-F148 HydrophobicContact CD2-CB 4.14Å; L6-F148 HydrophobicContact CD2-CD1 4.35Å; L6-F148 HydrophobicContact CD2-CG 4.3Å; W18-F148 AromaticContact CH2-CD1 3.78Å; W18-F148 HydrophobicContact CH2-CD1 3.78Å; W18-F148 AromaticContact CH2-CE1 3.85Å; W18-F148 HydrophobicContact CH2-CE1 3.85Å; W18-F148 AromaticContact CZ3-CD1 3.87Å; W18-F148 HydrophobicContact CZ3-CD1 3.87Å; W18-F148 HydrophobicContact CZ3-CE1 4.19Å; R60-F148 CarbonylContact C-O 3.57Å; R60-F148 VanDerWaalsContact CA-O 3.25Å; R60-F148 WeakPolarHBondContact CA-O 3.49Å; Q61-F148 PolarHBondContact N-O 3.01Å; Q61-F148 PolarHBondContact O-N 2.98Å; D85-F148 HydrophobicContact CB-CE2 4.47Å; D85-F148 HydrophobicContact CB-CZ 4.02Å; M99-F148 HydrophobicContact CE-CD2 3.81Å; M99-F148 HydrophobicContact CE-CE2 3.3Å; M99-F148 HydrophobicContact CE-CZ 4.16Å; M99-F148 HydrophobicContact SD-CE2 4.05Å; M99-F148 HydrophobicContact SD-CZ 4.35Å; F148-H150 HydrophobicContact CE1-CB 4.19Å; F148-H150 AromaticContact CE1-CD2 3.98Å; F148-H150 AromaticContact CE1-CE1 3.96Å; F148-H150 AromaticContact CE1-CG 3.73Å; F148-H150 AromaticContact CE1-ND1 3.72Å; F148-H150 HydrophobicContact CZ-CB 4.46Å; F148-H150 AromaticContact CZ-ND1 3.95Å; F148-V171 HydrophobicContact CB-CG2 4.28Å; F148-V171 HydrophobicContact CD2-CG2 3.92Å; F148-V171 HydrophobicContact CG-CG2 4.33Å
149E98.5Very high95.7Very high37 Ų3743.2 Ų43.217%0.17321%0.214CC..EExtended strand (participates in β ladder)trans-130.3138176.8-175.6174.182.100109.9T21 L58 K59 R60 M99 T100T21-E149 WeakPolarHBondContact CB-OE2 3.5Å; T21-E149 VanDerWaalsContact CG2-OE2 3.28Å; T21-E149 WeakPolarHBondContact CG2-OE2 3.37Å; T21-E149 PolarHBondContact OG1-OE2 3.11Å; L58-E149 HydrophobicContact CB-CG 4.38Å; K59-E149 WeakPolarHBondContact O-CA 3.24Å; R60-E149 HydrophobicContact CB-CB 4.11Å; R60-E149 HydrophobicContact CB-CG 4.14Å; R60-E149 HydrophobicContact CG-CB 4.1Å; M99-E149 CarbonylContact C-O 3.52Å; M99-E149 WeakPolarHBondContact CA-O 3.29Å; T100-E149 PolarHBondContact N-O 3.26Å; T100-E149 PolarHBondContact O-N 3.05Å
150H98.3Very high95.6Very high0 Ų042.9 Ų42.90%022%0.216CC..EExtended strand (participates in β ladder)trans-150.7167174.369.9170000111.7K59 D85 Y97 Q98 M99 F148 V166 S169K59-H150 WeakPolarHBondContact CE-NE2 3.32Å; K59-H150 PolarHBondContact N-O 3.16Å; K59-H150 PolarHBondContact NZ-NE2 3Å; K59-H150 PolarHBondContact O-N 3.26Å; K59-H150 VanDerWaalsContact O-N 3.1Å; D85-H150 VanDerWaalsContact CG-ND1 3.32Å; D85-H150 IonicContact OD1-CE1 2.78Å; D85-H150 IonicContact OD1-ND1 2.79Å; D85-H150 PolarHBondContact OD1-ND1 2.78Å; D85-H150 IonicContact OD2-CE1 3.6Å; D85-H150 IonicContact OD2-CG 2.94Å; D85-H150 IonicContact OD2-ND1 3.97Å; D85-H150 PolarHBondContact OD2-ND1 2.82Å; Y97-H150 HydrophobicContact CE2-CB 4.32Å; Q98-H150 CarbonylContact O-C 3.6Å; Q98-H150 VanDerWaalsContact O-CA 3.32Å; Q98-H150 WeakPolarHBondContact O-CA 3.06Å; M99-H150 HydrophobicContact CB-CB 4.13Å; M99-H150 HydrophobicContact CG-CB 4.33Å; F148-H150 HydrophobicContact CE1-CB 4.19Å; F148-H150 AromaticContact CE1-CD2 3.98Å; F148-H150 AromaticContact CE1-CE1 3.96Å; F148-H150 AromaticContact CE1-CG 3.73Å; F148-H150 AromaticContact CE1-ND1 3.72Å; F148-H150 HydrophobicContact CZ-CB 4.46Å; F148-H150 AromaticContact CZ-ND1 3.95Å; H150-V166 VanDerWaalsContact CE1-CG2 3.41Å; H150-V166 WeakPolarHBondContact CE1-CG2 3.37Å; H150-S169 PolarHBondContact CE1-OG 2.79Å
151G97.9Very high95.7Very high0 Ų045.4 Ų45.40%022%0.219CC..EExtended strand (participates in β ladder)trans155.3-145.5170.900000111.2C57 Q98C57-G151 CarbonylContact O-C 3.53Å; C57-G151 VanDerWaalsContact O-CA 3.31Å; C57-G151 WeakPolarHBondContact O-CA 3.31Å; Q98-G151 PolarHBondContact N-O 3.01Å; Q98-G151 PolarHBondContact O-N 3.08Å
152G97.1Very high95.7Very high1 Ų143.5 Ų43.51%0.0120%0.202CC..EExtended strand (participates in β ladder)trans157.3-159.2-172.100000113.4C57 T96C57-G152 PolarHBondContact N-O 3.32Å; C57-G152 PolarHBondContact O-N 2.87Å; T96-G152 WeakPolarHBondContact O-CA 3.4Å
153R96Very high95.7Very high105 Ų10542.6 Ų42.640%0.39619%0.193SC..EExtended strand (participates in β ladder)trans-158.3167.8-179.159.1173.2-174-161.61.4111.2S53 E55 C95 T96S53-R153 WeakPolarHBondContact O-CA 3.12Å; E55-R153 WeakPolarHBondContact O-CB 3.2Å; C95-R153 CarbonylContact C-O 3.5Å; C95-R153 WeakPolarHBondContact CA-O 3.25Å; C95-R153 WeakPolarHBondContact CB-O 3.41Å; T96-R153 PolarHBondContact N-O 3.02Å; T96-R153 PolarHBondContact O-N 3.05Å; T96-R153 VanDerWaalsContact O-N 3.16Å
154D94.3Very high95.6Very high0 Ų042.6 Ų42.60%019%0.193CC..EExtended strand (participates in β ladder)trans-70.4171.1166.188.110.6000112.5S53 F54 S156 Y157 W158 F162S53-D154 PolarHBondContact O-N 2.93Å; F54-D154 VanDerWaalsContact CA-CG 3.45Å; F54-D154 WeakPolarHBondContact CA-OD1 3.44Å; F54-D154 VanDerWaalsContact CB-OD2 3.29Å; F54-D154 WeakPolarHBondContact CB-OD2 3.23Å; D154-S156 PolarHBondContact OD1-N 3.01Å; D154-Y157 VanDerWaalsContact OD1-CA 3.29Å; D154-Y157 WeakPolarHBondContact OD1-CA 3.41Å; D154-Y157 PolarHBondContact OD1-N 3.04Å; D154-Y157 PolarHBondContact OD2-N 3.17Å; D154-W158 PolarHBondContact OD2-N 2.72Å; D154-F162 HydrophobicContact CB-CB 4.11Å
155T92.6Very high95.6Very high62 Ų6240.9 Ų40.938%0.3819%0.186SC..SBendtrans-109.2-14.9174.557.10000113.5G94 T120G94-T155 WeakPolarHBondContact CA-OG1 3.47Å; G94-T155 PolarHBondContact O-N 3.22Å; G94-T155 PolarHBondContact O-OG1 3.02Å; T120-T155 HydrophobicContact CG2-CG2 4.01Å
156S90.1Very high95.5Very high50 Ų5039.4 Ų39.435%0.3518%0.18SC..SBendtrans-97.1-6.7-174.3-57.30000113.8C93 D154 W158C93-S156 VanDerWaalsContact SG-CB 3.52Å; C93-S156 PolarHBondContact SG-OG 3.2Å; D154-S156 PolarHBondContact OD1-N 3.01Å; S156-W158 VanDerWaalsContact C-N 3.31Å; S156-W158 VanDerWaalsContact O-CD1 3.22Å; S156-W158 PolarHBondContact O-N 3.12Å
157Y91.5Very high95.5Very high145 Ų14539.4 Ų39.457%0.56918%0.18SC*.  trans55.942.3-174.5-69.1-93.7000113.1D154D154-Y157 VanDerWaalsContact OD1-CA 3.29Å; D154-Y157 WeakPolarHBondContact OD1-CA 3.41Å; D154-Y157 PolarHBondContact OD1-N 3.04Å; D154-Y157 PolarHBondContact OD2-N 3.17Å
158W88.9Confident95.3Very high124 Ų12439.6 Ų39.647%0.4718%0.184SC..  trans-90.5124.8-178.8-73.72.8000110.4C93 D154 S156 G160 F162C93-W158 HydrophobicContact CB-CE3 4.18Å; C93-W158 HydrophobicContact CB-CZ3 4.14Å; D154-W158 PolarHBondContact OD2-N 2.72Å; S156-W158 VanDerWaalsContact C-N 3.31Å; S156-W158 VanDerWaalsContact O-CD1 3.22Å; S156-W158 PolarHBondContact O-N 3.12Å; W158-G160 PolarHBondContact O-N 2.79Å; W158-F162 HydrophobicContact CB-CD2 3.7Å; W158-F162 HydrophobicContact CB-CE2 4.1Å; W158-F162 HydrophobicContact CB-CG 4.2Å; W158-F162 AromaticContact CE3-CD1 3.97Å; W158-F162 HydrophobicContact CE3-CD1 3.97Å; W158-F162 HydrophobicContact CE3-CE1 4.01Å; W158-F162 HydrophobicContact CE3-CG 4.25Å; W158-F162 HydrophobicContact CE3-CZ 4.31Å; W158-F162 HydrophobicContact CZ3-CE1 4.47Å
159E93.4Very high95.2Very high161 Ų16139.6 Ų39.675%0.75218%0.184SC*.SBendtrans-56.8127.3176.8-170.3-179.9-173.100110.6F54 F162F54-E159 HydrophobicContact CE1-CG 4.33Å; E159-F162 WeakPolarHBondContact O-CE2 3.39Å
160G94Very high95.2Very high10 Ų1039 Ų3910%0.10318%0.184CC..SBendtrans121.8-152.6-173.100000113.7N26 S53 W158N26-G160 PolarHBondContact OD1-N 3.44Å; S53-G160 WeakPolarHBondContact CA-O 3.31Å; S53-G160 WeakPolarHBondContact CB-O 3.38Å; S53-G160 PolarHBondContact OG-O 2.82Å; W158-G160 PolarHBondContact O-N 2.79Å
161W96.3Very high95.2Very high72 Ų7239 Ų3927%0.27318%0.184SC..SBendtrans-117.166.3-172.4-65.8-82.5000111N26 Q27 K29 V51 T52N26-W161 HydrophobicContact CB-CH2 4.24Å; N26-W161 HydrophobicContact CB-CZ2 3.7Å; N26-W161 WeakPolarHBondContact O-CZ2 3.25Å; N26-W161 PolarHBondContact O-NE1 3.48Å; Q27-W161 PolarHBondContact O-NE1 2.85Å; K29-W161 HydrophobicContact CB-CD2 4.19Å; K29-W161 HydrophobicContact CB-CG 4.14Å; K29-W161 HydrophobicContact CB-CZ2 4.26Å; K29-W161 VanDerWaalsContact CB-NE1 3.3Å; K29-W161 HydrophobicContact CD-CD2 3.58Å; K29-W161 HydrophobicContact CD-CE3 3.87Å; K29-W161 HydrophobicContact CD-CG 4.09Å; K29-W161 HydrophobicContact CD-CH2 4.1Å; K29-W161 HydrophobicContact CD-CZ2 3.82Å; K29-W161 HydrophobicContact CD-CZ3 4.13Å; V51-W161 HydrophobicContact CB-CB 4.48Å; V51-W161 HydrophobicContact CG1-CB 3.79Å; V51-W161 HydrophobicContact CG1-CG 3.99Å; V51-W161 HydrophobicContact CG2-CB 3.88Å; T52-W161 WeakPolarHBondContact O-CA 3.27Å
162F94.5Very high95.2Very high44 Ų4440 Ų4019%0.19319%0.191CC..  trans-101.33.3179.1-63.9-85.5000113.2C93 D154 W158 E159C93-F162 HydrophobicContact CB-CB 3.95Å; C93-F162 HydrophobicContact CB-CD1 3.99Å; C93-F162 HydrophobicContact CB-CG 4.36Å; D154-F162 HydrophobicContact CB-CB 4.11Å; W158-F162 HydrophobicContact CB-CD2 3.7Å; W158-F162 HydrophobicContact CB-CE2 4.1Å; W158-F162 HydrophobicContact CB-CG 4.2Å; W158-F162 AromaticContact CE3-CD1 3.97Å; W158-F162 HydrophobicContact CE3-CD1 3.97Å; W158-F162 HydrophobicContact CE3-CE1 4.01Å; W158-F162 HydrophobicContact CE3-CG 4.25Å; W158-F162 HydrophobicContact CE3-CZ 4.31Å; W158-F162 HydrophobicContact CZ3-CE1 4.47Å; E159-F162 WeakPolarHBondContact O-CE2 3.39Å
163G95.6Very high95.1Very high0 Ų040.1 Ų40.10%019%0.191CC..SBendtrans-77-168.2179.500000113.4T52T52-G163 PolarHBondContact O-N 3.25Å; T52-G163 VanDerWaalsContact O-N 3.16Å; T52-G163 VanDerWaalsContact OG1-C 3.28Å; T52-G163 VanDerWaalsContact OG1-CA 3.29Å; T52-G163 WeakPolarHBondContact OG1-CA 3.42Å
164V96.6Very high95Very high0 Ų040.4 Ų40.40%020%0.197CC..  trans-63.1142.3176.567.90000111.3T52 F87 C95 Y97 V166T52-V164 HydrophobicContact CG2-CG1 3.9Å; T52-V164 PolarHBondContact N-O 3.06Å; T52-V164 WeakPolarHBondContact OG1-CG1 3.41Å; T52-V164 PolarHBondContact OG1-N 2.66Å; T52-V164 PolarHBondContact OG1-O 2.82Å; F87-V164 HydrophobicContact CB-CG2 3.94Å; F87-V164 HydrophobicContact CD2-CG2 4.32Å; C95-V164 HydrophobicContact CB-CB 4.34Å; Y97-V164 HydrophobicContact CD2-CG1 4.49Å; Y97-V164 HydrophobicContact CD2-CG2 3.92Å; Y97-V164 HydrophobicContact CG-CG2 4.34Å; V164-V166 HydrophobicContact CG1-CG1 4.47Å; V164-V166 HydrophobicContact CG2-CG1 4.15Å
165R97.4Very high94.6Very high2 Ų245.8 Ų45.81%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-103.1134.7170.8-63.6169.3167.8160.2-7.3109.1D36 Y49 F50 V51 F87 C88 R90 W129D36-R165 PolarHBondContact O-NH1 2.93Å; D36-R165 PolarHBondContact O-NH2 3.48Å; Y49-R165 HydrophobicContact CD2-CB 3.83Å; Y49-R165 HydrophobicContact CD2-CG 3.77Å; Y49-R165 HydrophobicContact CE2-CB 4.25Å; Y49-R165 HydrophobicContact CE2-CG 3.68Å; F50-R165 CarbonylContact O-C 3.57Å; F50-R165 VanDerWaalsContact O-CA 3.22Å; F50-R165 WeakPolarHBondContact O-CA 3.45Å; V51-R165 HydrophobicContact CB-CG 4.15Å; V51-R165 HydrophobicContact CG2-CG 3.84Å; F87-R165 CarbonylContact C-O 3.54Å; F87-R165 WeakPolarHBondContact CA-O 3.49Å; C88-R165 PolarHBondContact N-O 3.23Å; C88-R165 PolarHBondContact O-N 2.89Å; R90-R165 VanDerWaalsContact CG-CZ 3.46Å; W129-R165 HydrophobicContact CH2-CB 3.95Å; W129-R165 HydrophobicContact CZ2-CB 4.49Å
166V97.8Very high94.7Very high0 Ų045 Ų450%022%0.222CC..EExtended strand (participates in β ladder)trans-133.7143.5-179.9-60.50000111.4W28 F50 W86 F87 Y97 H150 V164W28-V166 HydrophobicContact CH2-CG2 3.94Å; W28-V166 HydrophobicContact CZ3-CG2 3.96Å; F50-V166 HydrophobicContact CB-CG2 3.87Å; F50-V166 HydrophobicContact CD2-CG2 4.35Å; F50-V166 PolarHBondContact N-O 3.48Å; F50-V166 PolarHBondContact O-N 2.9Å; W86-V166 VanDerWaalsContact O-CA 3.23Å; W86-V166 WeakPolarHBondContact O-CA 3.29Å; F87-V166 HydrophobicContact CB-CG1 3.98Å; Y97-V166 HydrophobicContact CD2-CG1 4.04Å; Y97-V166 HydrophobicContact CE2-CG1 3.81Å; H150-V166 VanDerWaalsContact CE1-CG2 3.41Å; H150-V166 WeakPolarHBondContact CE1-CG2 3.37Å; V164-V166 HydrophobicContact CG1-CG1 4.47Å; V164-V166 HydrophobicContact CG2-CG1 4.15Å
167T97.1Very high95Very high0 Ų044.7 Ų44.70%022%0.215CC..EExtended strand (participates in β ladder)trans-162.6175176.8-163.10000111S10 M33 F41 V46 K48 W86 W129 S169S10-T167 WeakPolarHBondContact CA-OG1 3.2Å; S10-T167 WeakPolarHBondContact CB-OG1 2.97Å; S10-T167 PolarHBondContact OG-OG1 2.76Å; M33-T167 HydrophobicContact CE-CG2 3.76Å; F41-T167 HydrophobicContact CD2-CG2 4.29Å; F41-T167 HydrophobicContact CE2-CG2 3.99Å; F41-T167 HydrophobicContact CZ-CG2 4.14Å; V46-T167 HydrophobicContact CG1-CG2 3.85Å; V46-T167 WeakPolarHBondContact CG1-OG1 3.43Å; K48-T167 PolarHBondContact O-OG1 3.49Å; W86-T167 VanDerWaalsContact CB-O 3.32Å; W86-T167 WeakPolarHBondContact CB-O 3.37Å; W86-T167 PolarHBondContact N-O 2.87Å; W86-T167 PolarHBondContact O-N 2.91Å; W129-T167 HydrophobicContact CE3-CG2 4.35Å; W129-T167 HydrophobicContact CH2-CG2 3.71Å; W129-T167 HydrophobicContact CZ2-CG2 4.43Å; W129-T167 HydrophobicContact CZ3-CG2 3.66Å; T167-S169 PolarHBondContact O-N 2.7Å
168G94.9Very high95.2Very high19 Ų1939.2 Ų39.220%0.19620%0.195CC..EExtended strand (participates in β ladder)trans61.923.8168.800000113.6P9P9-G168 PolarHBondContact O-N 3.37Å; P9-G168 VanDerWaalsContact O-N 3.16Å
169S97.3Very high95.5Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-62.7140.8179.7-42.20000110.1N4 P9 K84 D85 H150 T167N4-S169 PolarHBondContact ND2-O 3.3Å; P9-S169 WeakPolarHBondContact CB-O 3.31Å; K84-S169 CarbonylContact O-C 3.57Å; K84-S169 WeakPolarHBondContact O-CA 3.37Å; D85-S169 WeakPolarHBondContact OD1-CB 3.28Å; D85-S169 PolarHBondContact OD1-OG 3.1Å; H150-S169 PolarHBondContact CE1-OG 2.79Å; T167-S169 PolarHBondContact O-N 2.7Å
170S97.3Very high95.7Very high23 Ų2326.3 Ų26.316%0.16114%0.143CC..EExtended strand (participates in β ladder)trans-144.4140.6176.970.80000113.4N4 V83 K84N4-S170 WeakPolarHBondContact OD1-CA 3.42Å; V83-S170 CarbonylContact C-O 3.59Å; V83-S170 WeakPolarHBondContact CA-O 3.09Å; K84-S170 WeakPolarHBondContact CB-OG 3.47Å; K84-S170 PolarHBondContact N-O 2.94Å; K84-S170 PolarHBondContact O-N 2.89Å
171V98.1Very high95.8Very high0 Ų027.3 Ų27.30%015%0.146CC..EExtended strand (participates in β ladder)trans-124.9126.2168176.60000107.3N4 L5 L6 I63 V81 T82 V83 I146 F148N4-V171 PolarHBondContact OD1-N 3.38Å; N4-V171 PolarHBondContact OD1-O 2.95Å; L5-V171 PolarHBondContact N-O 3.05Å; L6-V171 HydrophobicContact CD1-CG2 3.83Å; L6-V171 HydrophobicContact CD2-CG2 4.13Å; L6-V171 HydrophobicContact CG-CB 4.14Å; L6-V171 HydrophobicContact CG-CG2 3.72Å; I63-V171 HydrophobicContact CD1-CB 3.79Å; I63-V171 HydrophobicContact CD1-CG1 3.77Å; I63-V171 HydrophobicContact CD1-CG2 4.06Å; V81-V171 HydrophobicContact CG1-CG1 4.29Å; T82-V171 WeakPolarHBondContact O-CA 3.41Å; V83-V171 HydrophobicContact CB-CG2 4.43Å; V83-V171 HydrophobicContact CG1-CG1 4.26Å; V83-V171 HydrophobicContact CG1-CG2 3.95Å; I146-V171 HydrophobicContact CD1-CG1 3.68Å; I146-V171 HydrophobicContact CG2-CG1 4.02Å; F148-V171 HydrophobicContact CB-CG2 4.28Å; F148-V171 HydrophobicContact CD2-CG2 3.92Å; F148-V171 HydrophobicContact CG-CG2 4.33Å
172T97.8Very high95.7Very high23 Ų2324.1 Ų24.114%0.14114%0.137CC..EExtended strand (participates in β ladder)trans-133.5136.5-177.560.10000110.4A2 V81 T82A2-T172 HydrophobicContact CB-CG2 4.39Å; V81-T172 WeakPolarHBondContact CA-O 3.18Å; T82-T172 PolarHBondContact N-O 2.81Å; T82-T172 PolarHBondContact O-N 2.84Å; T82-T172 PolarHBondContact O-OG1 3Å
173V96.6Very high95.8Very high3 Ų322.6 Ų22.62%0.01813%0.133CC..EExtended strand (participates in β ladder)trans-112.1126.8175.2-174.60000109.1A2 L5 L65 Y70 P79 V81 I146 V175A2-V173 WeakPolarHBondContact CB-O 3.45Å; L5-V173 HydrophobicContact CD1-CG2 3.69Å; L65-V173 HydrophobicContact CD2-CG2 4.02Å; Y70-V173 HydrophobicContact CE1-CB 4.16Å; Y70-V173 HydrophobicContact CE1-CG1 4.3Å; P79-V173 HydrophobicContact CB-CG1 3.85Å; P79-V173 HydrophobicContact CG-CG1 3.57Å; V81-V173 HydrophobicContact CG1-CG2 4.39Å; V81-V173 HydrophobicContact CG2-CG1 4.38Å; V81-V173 HydrophobicContact CG2-CG2 4.13Å; I146-V173 HydrophobicContact CD1-CG2 3.86Å; V173-V175 HydrophobicContact CG1-CG2 3.77Å
174E93.3Very high95.8Very high111 Ų11124.5 Ų24.552%0.51914%0.144SC..  trans-99.788-177.8-63.9-173.1-176.400111.2A2 P79 P80A2-E174 HydrophobicContact CB-CG 4.15Å; P79-E174 WeakPolarHBondContact CB-O 3.42Å; P80-E174 HydrophobicContact CB-CB 4.39Å; P80-E174 WeakPolarHBondContact CD-O 3.29Å; P80-E174 PolarHBondContact O-N 2.79Å
175V86Confident95.8Very high113 Ų11326.7 Ų26.769%0.68516%0.157SC*.  trans-96.70177.2-174.20000112Y70 Q74 P79 V173Y70-V175 HydrophobicContact CD1-CG2 3.62Å; Y70-V175 HydrophobicContact CE1-CB 4.39Å; Y70-V175 HydrophobicContact CE1-CG2 3.59Å; Q74-V175 HydrophobicContact CB-CG1 3.61Å; Q74-V175 HydrophobicContact CB-CG2 4.5Å; Q74-V175 HydrophobicContact CG-CG1 3.54Å; P79-V175 HydrophobicContact CB-CG2 3.83Å; P79-V175 HydrophobicContact CG-CG2 3.92Å; V173-V175 HydrophobicContact CG1-CG2 3.77Å

Retrieved 175 of 175 residues in 44.3 ms (Link to these results)

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