A0A087Y736_POEFO Loading...

DDB1- and CUL4-associated factor 7

AlphaFold DB (A0A3Q1AJC0), UniProt , Accession A0A087Y736, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 342 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
1M37.1Very low60.2Low245 Ų245137 Ų137100%1.20768%0.681SS**  0118.50-88.3166.2173.400107.2L3M1-L3 PolarHBondContact O-N 3.36Å
2S33.3Very low63.3Low94 Ų94132.8 Ų132.866%0.65766%0.656SS**  trans-66.6120.4-165.4178.20000112.1H4S2-H4 PolarHBondContact O-N 2.82Å; S2-H4 PolarHBondContact OG-CE1 3Å; S2-H4 VanDerWaalsContact OG-CE1 3.27Å; S2-H4 PolarHBondContact OG-ND1 3.27Å
3L40.1Very low66Low176 Ų176124.8 Ų124.892%0.92161%0.614SS**  trans-67.980.5159.9-79.2148.9000108.1M1 G5M1-L3 PolarHBondContact O-N 3.36Å; L3-G5 PolarHBondContact O-N 3.18Å
4H39.8Very low68.2Low163 Ų163125.2 Ų125.276%0.75561%0.614SS**  trans-70.5105.5159-84.263.3000106.3S2 K6S2-H4 PolarHBondContact O-N 2.82Å; S2-H4 PolarHBondContact OG-CE1 3Å; S2-H4 VanDerWaalsContact OG-CE1 3.27Å; S2-H4 PolarHBondContact OG-ND1 3.27Å; H4-K6 PolarHBondContact O-N 3.13Å; H4-K6 VanDerWaalsContact O-N 3.13Å
5G42.9Very low70.2Confident71 Ų71117.1 Ų117.173%0.73257%0.574SS**PPolyproline II helixtrans-50.6121.4168.700000108.2L3 R7L3-G5 PolarHBondContact O-N 3.18Å; G5-R7 PolarHBondContact O-N 2.77Å
6K53.1Low71.9Confident192 Ų192116.4 Ų116.484%0.83558%0.582SS**PPolyproline II helixtrans-52.4117.1175.6-76.2-178175.4-178.10107.1H4 K8H4-K6 PolarHBondContact O-N 3.13Å; H4-K6 VanDerWaalsContact O-N 3.13Å; K6-K8 PolarHBondContact O-N 3.01Å
7R58Low73.4Confident223 Ų223111.1 Ų111.184%0.84255%0.553SS**PPolyproline II helixtrans-57.4131.4174.9-171.5175.3178.9179.8-2.6106.8G5 E9G5-R7 PolarHBondContact O-N 2.77Å; R7-E9 PolarHBondContact O-N 2.74Å; R7-E9 VanDerWaalsContact O-N 3.1Å
8K73.3Confident74.7Confident169 Ų169108.4 Ų108.474%0.73554%0.544SS*.  trans-62.3114.2171-71.4-173.4176.7-172.80107.2K6 I10K6-K8 PolarHBondContact O-N 3.01Å; K8-I10 HydrophobicContact CB-CD1 4.38Å; K8-I10 HydrophobicContact CB-CG1 4.5Å
9E92.2Very high75.9Confident63 Ų63102.7 Ų102.729%0.29452%0.515SS..  trans-95107.7175.7-65.3178.9132.100107.2R7 W328 R341R7-E9 PolarHBondContact O-N 2.74Å; R7-E9 VanDerWaalsContact O-N 3.1Å; E9-W328 HydrophobicContact CB-CH2 3.73Å; E9-W328 HydrophobicContact CB-CZ2 4.41Å; E9-R341 HydrophobicContact CB-CB 4.06Å; E9-R341 PolarHBondContact O-N 3.06Å; E9-R341 VanDerWaalsContact O-N 3.07Å; E9-R341 WeakPolarHBondContact OE2-CD 3.49Å; E9-R341 IonicContact OE2-CZ 3.58Å; E9-R341 IonicContact OE2-NE 3.68Å; E9-R341 IonicContact OE2-NH1 2.71Å; E9-R341 PolarHBondContact OE2-NH1 3.03Å
10I95.2Very high76.9Confident66 Ų66102 Ų10234%0.33851%0.507SS..EExtended strand (participates in β ladder)trans-129.4125.5-179.2-59.8174.2000106.1K8 Y310 I339 L340K8-I10 HydrophobicContact CB-CD1 4.38Å; K8-I10 HydrophobicContact CB-CG1 4.5Å; I10-Y310 HydrophobicContact CD1-CE2 3.74Å; I10-I339 WeakPolarHBondContact CA-O 3.44Å; I10-L340 HydrophobicContact CB-CD2 4.25Å; I10-L340 HydrophobicContact CD1-CD2 4.12Å; I10-L340 HydrophobicContact CG1-CD2 3.76Å; I10-L340 HydrophobicContact CG2-CD2 3.75Å
11Y97.1Very high77.8Confident45 Ų4597.2 Ų97.218%0.17648%0.484CS..EExtended strand (participates in β ladder)trans-119.7136.1173.5-55.9-75.5000108.9L52 W328 E338 I339Y11-L52 HydrophobicContact CD1-CD1 3.88Å; Y11-L52 HydrophobicContact CD1-CD2 4.24Å; Y11-L52 HydrophobicContact CD2-CD1 4.33Å; Y11-L52 HydrophobicContact CD2-CD2 3.5Å; Y11-L52 VanDerWaalsContact CD2-CD2 3.5Å; Y11-L52 HydrophobicContact CE1-CD2 4.37Å; Y11-L52 HydrophobicContact CE2-CD2 3.6Å; Y11-L52 HydrophobicContact CG-CD1 3.77Å; Y11-L52 HydrophobicContact CG-CD2 3.81Å; Y11-L52 HydrophobicContact CG-CG 4.48Å; Y11-W328 AromaticContact CD2-CH2 3.64Å; Y11-W328 HydrophobicContact CD2-CH2 3.64Å; Y11-W328 AromaticContact CD2-CZ3 3.72Å; Y11-W328 HydrophobicContact CD2-CZ3 3.72Å; Y11-W328 AromaticContact CE2-CH2 3.34Å; Y11-W328 HydrophobicContact CE2-CH2 3.34Å; Y11-W328 HydrophobicContact CE2-CZ2 4.16Å; Y11-W328 AromaticContact CE2-CZ3 3.95Å; Y11-W328 HydrophobicContact CE2-CZ3 3.95Å; Y11-E338 WeakPolarHBondContact O-CA 3.22Å; Y11-I339 HydrophobicContact CD2-CD1 3.95Å; Y11-I339 HydrophobicContact CD2-CG1 4.03Å; Y11-I339 HydrophobicContact CG-CG1 4.42Å; Y11-I339 PolarHBondContact N-O 2.87Å; Y11-I339 VanDerWaalsContact N-O 3.09Å; Y11-I339 PolarHBondContact O-N 2.9Å
12K97.1Very high80.7Confident87 Ų8785.8 Ų85.838%0.37843%0.427SS..EExtended strand (participates in β ladder)trans-120.9139.9-174.3-174.6174.6-175.9-179.30110.3E313 Y333 C336 L337 E338K12-E313 IonicContact NZ-OE2 2.91Å; K12-E313 PolarHBondContact NZ-OE2 3.15Å; K12-Y333 WeakPolarHBondContact CE-OH 2.95Å; K12-Y333 PolarHBondContact NZ-OH 2.71Å; K12-C336 WeakPolarHBondContact CE-SG 3.38Å; K12-L337 CarbonylContact C-O 3.51Å; K12-L337 WeakPolarHBondContact CA-O 3.48Å; K12-E338 HydrophobicContact CB-CG 4.13Å; K12-E338 HydrophobicContact CD-CG 4.33Å; K12-E338 HydrophobicContact CG-CG 3.9Å
13Y98.2Very high83.8Confident29 Ų2982.2 Ų82.211%0.11440%0.401CS..EExtended strand (participates in β ladder)trans-124.4132.5169176.9-103.7000109.1A15 L36 Q48 V50 F59 C336 L337Y13-A15 HydrophobicContact CE1-CB 4Å; Y13-L36 HydrophobicContact CD1-CD1 3.78Å; Y13-L36 HydrophobicContact CE1-CD1 3.98Å; Y13-Q48 VanDerWaalsContact OH-CD 3.27Å; Y13-Q48 PolarHBondContact OH-NE2 3.32Å; Y13-Q48 PolarHBondContact OH-OE1 3.14Å; Y13-V50 HydrophobicContact CD1-CG1 3.96Å; Y13-V50 HydrophobicContact CD2-CG1 4.49Å; Y13-V50 HydrophobicContact CE1-CG1 3.6Å; Y13-V50 HydrophobicContact CE2-CG1 4.18Å; Y13-V50 HydrophobicContact CG-CG1 4.39Å; Y13-F59 HydrophobicContact CD2-CB 3.58Å; Y13-F59 HydrophobicContact CD2-CG 4.42Å; Y13-F59 HydrophobicContact CG-CB 4.04Å; Y13-F59 HydrophobicContact CG-CG 4.42Å; Y13-C336 WeakPolarHBondContact O-CA 3.3Å; Y13-L337 PolarHBondContact N-O 3.43Å; Y13-L337 PolarHBondContact O-N 3.08Å
14E98.1Very high86.5Confident130 Ų13074 Ų7461%0.60736%0.358SS*.EExtended strand (participates in β ladder)trans-104.3115.9175.1-167.3173.4175.200109.5N335E14-N335 WeakPolarHBondContact CG-ND2 3.45Å; E14-N335 PolarHBondContact OE1-ND2 3.25Å
15A97.7Very high89.2Confident3 Ų366.4 Ų66.43%0.02532%0.323CS..  trans-82155.5176.100000110.6Y13 W17 V19 N335Y13-A15 HydrophobicContact CE1-CB 4Å; A15-W17 HydrophobicContact CB-CD2 4.04Å; A15-W17 HydrophobicContact CB-CE3 3.58Å; A15-W17 HydrophobicContact CB-CH2 3.89Å; A15-W17 HydrophobicContact CB-CZ2 4.31Å; A15-W17 HydrophobicContact CB-CZ3 3.51Å; A15-W17 PolarHBondContact O-N 3.25Å; A15-W17 VanDerWaalsContact O-N 3.15Å; A15-V19 HydrophobicContact CB-CG2 3.88Å; A15-N335 WeakPolarHBondContact CB-O 3.43Å; A15-N335 PolarHBondContact N-O 3.09Å; A15-N335 PolarHBondContact O-ND2 3.49Å
16P96.9Very high91.7Very high106 Ų10663.8 Ų63.869%0.68829%0.293SS*.SBendtrans-73.90.2178.330.4-34.8000113.9
17W97.1Very high93.6Very high27 Ų2756.9 Ų56.910%0.10226%0.261CS..SBendtrans-146.3171.3-176.437.4-121.3000110A15 V19 L36 S38 V40 Q48 N335A15-W17 HydrophobicContact CB-CD2 4.04Å; A15-W17 HydrophobicContact CB-CE3 3.58Å; A15-W17 HydrophobicContact CB-CH2 3.89Å; A15-W17 HydrophobicContact CB-CZ2 4.31Å; A15-W17 HydrophobicContact CB-CZ3 3.51Å; A15-W17 PolarHBondContact O-N 3.25Å; A15-W17 VanDerWaalsContact O-N 3.15Å; W17-V19 HydrophobicContact CE3-CB 4.47Å; W17-V19 HydrophobicContact CE3-CG2 4.06Å; W17-V19 HydrophobicContact CZ3-CB 3.89Å; W17-V19 HydrophobicContact CZ3-CG1 4.06Å; W17-V19 HydrophobicContact CZ3-CG2 3.51Å; W17-L36 HydrophobicContact CH2-CB 3.62Å; W17-L36 HydrophobicContact CZ3-CB 4.34Å; W17-S38 VanDerWaalsContact CG-CB 3.44Å; W17-V40 HydrophobicContact CB-CG2 4.21Å; W17-Q48 HydrophobicContact CH2-CB 4.35Å; W17-Q48 HydrophobicContact CZ2-CB 3.81Å; W17-N335 WeakPolarHBondContact O-CA 3.45Å; W17-N335 WeakPolarHBondContact O-CB 3.41Å
18T97.4Very high95Very high63 Ų6349.6 Ų49.639%0.38724%0.243SC..EExtended strand (participates in β ladder)trans-65.9130.1170.9-60.80000110.6S38 F39 N334T18-S38 CarbonylContact O-C 3.58Å; T18-S38 WeakPolarHBondContact O-CA 3.46Å; T18-F39 HydrophobicContact CG2-CB 4.18Å; T18-F39 PolarHBondContact O-N 3.08Å; T18-N334 CarbonylContact C-O 3.46Å; T18-N334 VanDerWaalsContact CA-O 3.31Å; T18-N334 WeakPolarHBondContact CA-O 3.39Å; T18-N334 WeakPolarHBondContact CG2-O 3.36Å
19V97.3Very high95.8Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-85.6122.6-179.4-1720000109.4A15 W17 L36 C332 N334A15-V19 HydrophobicContact CB-CG2 3.88Å; W17-V19 HydrophobicContact CE3-CB 4.47Å; W17-V19 HydrophobicContact CE3-CG2 4.06Å; W17-V19 HydrophobicContact CZ3-CB 3.89Å; W17-V19 HydrophobicContact CZ3-CG1 4.06Å; W17-V19 HydrophobicContact CZ3-CG2 3.51Å; V19-L36 HydrophobicContact CG1-CB 4.38Å; V19-L36 HydrophobicContact CG1-CD2 4.25Å; V19-C332 HydrophobicContact CB-CB 4.12Å; V19-C332 HydrophobicContact CG1-CB 3.9Å; V19-C332 WeakPolarHBondContact CG1-SG 3.28Å; V19-N334 PolarHBondContact N-O 2.8Å
20Y95.3Very high95.7Very high87 Ų8745 Ų4534%0.34123%0.226SC..EExtended strand (participates in β ladder)trans-102.7-47.3-177-168-129.6000113.5G37 F39 P70 T71Y20-G37 PolarHBondContact N-O 2.93Å; Y20-F39 HydrophobicContact CD1-CD2 4.47Å; Y20-F39 AromaticContact CD2-CD2 3.86Å; Y20-F39 HydrophobicContact CD2-CD2 3.86Å; Y20-F39 HydrophobicContact CE2-CD2 4.25Å; Y20-F39 HydrophobicContact CG-CB 4.4Å; Y20-F39 HydrophobicContact CG-CD2 4.02Å; Y20-P70 HydrophobicContact CD1-CB 3.85Å; Y20-P70 HydrophobicContact CE1-CB 4.24Å; Y20-T71 WeakPolarHBondContact CD1-O 3.31Å
21A96.6Very high95.7Very high3 Ų347.4 Ų47.43%0.02523%0.231CC..EExtended strand (participates in β ladder)trans-130.6151.4-178.200000110.1L36 G37 T71 I74A21-L36 CarbonylContact O-C 3.54Å; A21-L36 WeakPolarHBondContact O-CA 3.28Å; A21-G37 PolarHBondContact N-O 3.23Å; A21-G37 PolarHBondContact O-N 3.09Å; A21-T71 WeakPolarHBondContact CB-O 3.49Å; A21-I74 HydrophobicContact CB-CD1 4.28Å; A21-I74 HydrophobicContact CB-CG1 4.03Å
22M97.7Very high95.6Very high4 Ų445.6 Ų45.62%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-153156.9175.357153.5162.600111.9A35 L36 N318 Q320 A330 I331 C332 L337M22-A35 CarbonylContact C-O 3.57Å; M22-A35 WeakPolarHBondContact CA-O 3.21Å; M22-L36 HydrophobicContact CB-CD2 3.52Å; M22-N318 VanDerWaalsContact CE-C 3.42Å; M22-N318 HydrophobicContact CE-CB 3.83Å; M22-N318 WeakPolarHBondContact CE-O 3.47Å; M22-N318 HydrophobicContact CG-CB 4.4Å; M22-Q320 HydrophobicContact CG-CG 4.39Å; M22-A330 HydrophobicContact CE-CB 4.23Å; M22-A330 WeakPolarHBondContact CE-O 3.26Å; M22-A330 HydrophobicContact SD-CB 3.59Å; M22-A330 VanDerWaalsContact SD-CB 3.59Å; M22-I331 VanDerWaalsContact CE-C 3.45Å; M22-C332 HydrophobicContact CE-CB 3.89Å; M22-C332 VanDerWaalsContact CE-SG 3.52Å; M22-C332 HydrophobicContact SD-CB 4.43Å; M22-C332 PolarHBondContact SD-SG 3.34Å; M22-L337 HydrophobicContact SD-CD1 3.79Å
23N98.3Very high95.6Very high20 Ų2042.4 Ų42.411%0.10721%0.21CC..EExtended strand (participates in β ladder)trans-156.9145.3170.3-158.1-107.5000112.7L34 A35 I74 W76 Q320N23-L34 WeakPolarHBondContact O-CA 3.49Å; N23-A35 PolarHBondContact N-O 3.02Å; N23-A35 PolarHBondContact O-N 2.87Å; N23-I74 HydrophobicContact CB-CG2 4.48Å; N23-I74 WeakPolarHBondContact CB-O 3.05Å; N23-W76 PolarHBondContact O-NE1 2.95Å; N23-W76 PolarHBondContact OD1-N 2.77Å; N23-Q320 PolarHBondContact ND2-OE1 3.06Å
24W97.9Very high95.6Very high4 Ų441 Ų412%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-73.3138.2174.8-7099.8000111.6F32 L34 Q320 A322 W328 A330 I339W24-F32 HydrophobicContact CH2-CD1 4.15Å; W24-F32 HydrophobicContact CZ3-CB 4.03Å; W24-F32 AromaticContact CZ3-CD1 3.96Å; W24-F32 HydrophobicContact CZ3-CD1 3.96Å; W24-F32 HydrophobicContact CZ3-CG 4.49Å; W24-L34 HydrophobicContact CD2-CD1 4.36Å; W24-L34 HydrophobicContact CD2-CD2 3.78Å; W24-L34 HydrophobicContact CD2-CG 3.92Å; W24-L34 HydrophobicContact CE3-CD1 3.78Å; W24-L34 HydrophobicContact CE3-CD2 4.07Å; W24-L34 HydrophobicContact CE3-CG 3.72Å; W24-L34 HydrophobicContact CG-CD2 4.27Å; W24-L34 HydrophobicContact CH2-CD1 4.01Å; W24-L34 HydrophobicContact CH2-CD2 4.45Å; W24-L34 HydrophobicContact CZ2-CD2 4.18Å; W24-L34 HydrophobicContact CZ3-CD1 3.6Å; W24-L34 HydrophobicContact CZ3-CD2 4.4Å; W24-L34 HydrophobicContact CZ3-CG 4.08Å; W24-Q320 PolarHBondContact NE1-O 3.35Å; W24-A322 HydrophobicContact CD2-CB 3.64Å; W24-A322 HydrophobicContact CE3-CB 4.02Å; W24-A322 HydrophobicContact CG-CB 3.9Å; W24-A322 HydrophobicContact CH2-CB 4.4Å; W24-A322 HydrophobicContact CZ2-CB 4.08Å; W24-A322 HydrophobicContact CZ3-CB 4.36Å; W24-W328 HydrophobicContact CH2-CB 4.39Å; W24-W328 HydrophobicContact CZ2-CB 4.42Å; W24-A330 HydrophobicContact CZ2-CB 3.59Å; W24-A330 VanDerWaalsContact NE1-CB 3.31Å; W24-I339 HydrophobicContact CH2-CB 3.91Å; W24-I339 HydrophobicContact CH2-CD1 4.04Å; W24-I339 HydrophobicContact CH2-CG2 3.44Å; W24-I339 VanDerWaalsContact CH2-CG2 3.44Å; W24-I339 HydrophobicContact CZ2-CB 4.08Å; W24-I339 HydrophobicContact CZ2-CG2 3.53Å
25S96.9Very high95.6Very high2 Ų234.8 Ų34.81%0.01418%0.175CC..  trans-69134.8165.1-162.40000110.4R33S25-R33 WeakPolarHBondContact CB-O 3.46Å; S25-R33 PolarHBondContact N-O 3.1Å; S25-R33 PolarHBondContact OG-NE 3.46Å; S25-R33 PolarHBondContact OG-NH2 3.35Å
26V94.9Very high95.7Very high17 Ų1734.7 Ų34.710%0.10317%0.174CC..  trans-97.23.9177.7-52.90000113.1I77 S323 T324V26-I77 WeakPolarHBondContact CG2-O 3.49Å; V26-S323 VanDerWaalsContact CG1-OG 3.32Å; V26-S323 WeakPolarHBondContact CG1-OG 3.41Å; V26-T324 HydrophobicContact CB-CG2 4.34Å; V26-T324 WeakPolarHBondContact O-CG2 3.07Å
27R91.5Very high95.7Very high47 Ų4729.6 Ų29.618%0.17714%0.141CC..  trans-73.5128.1178.6-82.4-161.967.2171.83.2111D29 K30 D86R27-D29 VanDerWaalsContact C-N 3.27Å; R27-D29 IonicContact CZ-OD1 3.27Å; R27-D29 VanDerWaalsContact CZ-OD1 3.23Å; R27-D29 IonicContact CZ-OD2 2.75Å; R27-D29 IonicContact NE-OD1 3.94Å; R27-D29 PolarHBondContact NE-OD1 3.28Å; R27-D29 IonicContact NE-OD2 2.92Å; R27-D29 IonicContact NH2-OD1 2.67Å; R27-D29 PolarHBondContact NH2-OD1 3.43Å; R27-D29 IonicContact NH2-OD2 3.66Å; R27-D29 PolarHBondContact NH2-OD2 2.63Å; R27-D29 PolarHBondContact O-N 3.28Å; R27-K30 HydrophobicContact CB-CB 4.19Å; R27-K30 HydrophobicContact CB-CG 4.31Å; R27-K30 PolarHBondContact O-N 3.47Å; R27-K30 VanDerWaalsContact O-N 3.14Å; R27-D86 VanDerWaalsContact CD-OD1 3.28Å; R27-D86 WeakPolarHBondContact CD-OD1 3.37Å; R27-D86 IonicContact NH1-OD2 3.27Å
28P87.4Confident95.8Very high70 Ų7028.4 Ų28.446%0.45514%0.137SC..THydrogen-bonded Turntrans-61.7-32.5-178.7-24.834.1000114.4K30 T80P28-K30 VanDerWaalsContact C-N 3.28Å; P28-K30 PolarHBondContact O-N 2.9Å; P28-T80 WeakPolarHBondContact CD-O 3.38Å; P28-T80 WeakPolarHBondContact CG-O 3.46Å
29D90.1Very high95.7Very high90 Ų9029.5 Ų29.548%0.48114%0.136SC..THydrogen-bonded Turntrans-81.9-3.4-179.262.6-60.3000113.8R27R27-D29 VanDerWaalsContact C-N 3.27Å; R27-D29 IonicContact CZ-OD1 3.27Å; R27-D29 VanDerWaalsContact CZ-OD1 3.23Å; R27-D29 IonicContact CZ-OD2 2.75Å; R27-D29 IonicContact NE-OD1 3.94Å; R27-D29 PolarHBondContact NE-OD1 3.28Å; R27-D29 IonicContact NE-OD2 2.92Å; R27-D29 IonicContact NH2-OD1 2.67Å; R27-D29 PolarHBondContact NH2-OD1 3.43Å; R27-D29 IonicContact NH2-OD2 3.66Å; R27-D29 PolarHBondContact NH2-OD2 2.63Å; R27-D29 PolarHBondContact O-N 3.28Å
30K91.8Very high95.6Very high46 Ų4631.4 Ų31.420%0.215%0.148CC..  trans-127.655.2-177.6-56.9-69.8-177.9-179.10110.7R27 P28 R33 D102R27-K30 HydrophobicContact CB-CB 4.19Å; R27-K30 HydrophobicContact CB-CG 4.31Å; R27-K30 PolarHBondContact O-N 3.47Å; R27-K30 VanDerWaalsContact O-N 3.14Å; P28-K30 VanDerWaalsContact C-N 3.28Å; P28-K30 PolarHBondContact O-N 2.9Å; K30-R33 HydrophobicContact CB-CB 4.33Å; K30-R33 WeakPolarHBondContact O-CB 3.28Å; K30-D102 IonicContact NZ-OD1 3.4Å; K30-D102 PolarHBondContact NZ-OD1 3.48Å; K30-D102 IonicContact NZ-OD2 2.9Å; K30-D102 PolarHBondContact NZ-OD2 3.49Å
31R93.4Very high95.4Very high116 Ų11636 Ų3644%0.43817%0.172SC..THydrogen-bonded Turntrans-54.5151.8170.3-61.8-171.572.9-134.72.8110.2R33 E54R31-R33 PolarHBondContact O-N 2.88Å; R31-R33 VanDerWaalsContact O-N 3.16Å; R31-E54 IonicContact CZ-OE1 3.78Å; R31-E54 IonicContact CZ-OE2 3.83Å; R31-E54 IonicContact NH1-OE1 2.74Å; R31-E54 PolarHBondContact NH1-OE1 2.85Å; R31-E54 IonicContact NH1-OE2 2.77Å; R31-E54 PolarHBondContact NH1-OE2 2.95Å
32F95.8Very high95.1Very high6 Ų641.9 Ų41.93%0.02620%0.2CC..THydrogen-bonded Turntrans80.9-8.1173.132.8-136.6000114.8W24 G51 L52 E54 Q325 W328 I339W24-F32 HydrophobicContact CH2-CD1 4.15Å; W24-F32 HydrophobicContact CZ3-CB 4.03Å; W24-F32 AromaticContact CZ3-CD1 3.96Å; W24-F32 HydrophobicContact CZ3-CD1 3.96Å; W24-F32 HydrophobicContact CZ3-CG 4.49Å; F32-G51 VanDerWaalsContact O-CA 3.25Å; F32-G51 WeakPolarHBondContact O-CA 3.4Å; F32-L52 HydrophobicContact CB-CB 3.85Å; F32-L52 HydrophobicContact CG-CB 4.36Å; F32-L52 PolarHBondContact O-N 2.72Å; F32-L52 VanDerWaalsContact O-N 3.16Å; F32-E54 HydrophobicContact CD2-CG 4.12Å; F32-E54 HydrophobicContact CE2-CG 3.92Å; F32-Q325 HydrophobicContact CD1-CG 4.46Å; F32-Q325 HydrophobicContact CE1-CB 4.48Å; F32-Q325 HydrophobicContact CE1-CG 4.07Å; F32-Q325 HydrophobicContact CZ-CG 4.23Å; F32-W328 AromaticContact CE1-CD1 3.8Å; F32-W328 AromaticContact CE1-CD2 3.78Å; F32-W328 HydrophobicContact CE1-CD2 3.78Å; F32-W328 AromaticContact CE1-CE2 3.65Å; F32-W328 HydrophobicContact CE1-CE3 4.49Å; F32-W328 AromaticContact CE1-CG 3.86Å; F32-W328 HydrophobicContact CE1-CG 3.86Å; F32-W328 HydrophobicContact CE1-CZ2 4.27Å; F32-W328 AromaticContact CE1-NE1 3.63Å; F32-W328 HydrophobicContact CZ-CZ2 4.49Å; F32-W328 AromaticContact CZ-NE1 3.92Å; F32-I339 HydrophobicContact CD1-CD1 3.86Å; F32-I339 HydrophobicContact CE1-CD1 4.45Å
33R97.3Very high94.7Very high20 Ų2048.7 Ų48.78%0.07523%0.226CC..EExtended strand (participates in β ladder)trans-95.2128.9-166.8-173.4173.166.8166.93.8112.5S25 K30 R31 V50 W76 D86S25-R33 WeakPolarHBondContact CB-O 3.46Å; S25-R33 PolarHBondContact N-O 3.1Å; S25-R33 PolarHBondContact OG-NE 3.46Å; S25-R33 PolarHBondContact OG-NH2 3.35Å; K30-R33 HydrophobicContact CB-CB 4.33Å; K30-R33 WeakPolarHBondContact O-CB 3.28Å; R31-R33 PolarHBondContact O-N 2.88Å; R31-R33 VanDerWaalsContact O-N 3.16Å; R33-V50 WeakPolarHBondContact CA-O 3.41Å; R33-W76 HydrophobicContact CG-CZ2 4.19Å; R33-D86 IonicContact CZ-OD1 3.23Å; R33-D86 IonicContact CZ-OD2 2.74Å; R33-D86 IonicContact NH1-OD2 3.23Å; R33-D86 PolarHBondContact NH1-OD2 3.16Å; R33-D86 VanDerWaalsContact NH2-CG 3.26Å; R33-D86 IonicContact NH2-OD1 2.91Å; R33-D86 PolarHBondContact NH2-OD1 3.35Å; R33-D86 IonicContact NH2-OD2 3.02Å; R33-D86 PolarHBondContact NH2-OD2 2.74Å
34L98.3Very high94.6Very high0 Ų051 Ų510%024%0.238CC..EExtended strand (participates in β ladder)trans-126.3153.9172.5-62.696000111N23 W24 L49 V50 F59 A330 L337 I339N23-L34 WeakPolarHBondContact O-CA 3.49Å; W24-L34 HydrophobicContact CD2-CD1 4.36Å; W24-L34 HydrophobicContact CD2-CD2 3.78Å; W24-L34 HydrophobicContact CD2-CG 3.92Å; W24-L34 HydrophobicContact CE3-CD1 3.78Å; W24-L34 HydrophobicContact CE3-CD2 4.07Å; W24-L34 HydrophobicContact CE3-CG 3.72Å; W24-L34 HydrophobicContact CG-CD2 4.27Å; W24-L34 HydrophobicContact CH2-CD1 4.01Å; W24-L34 HydrophobicContact CH2-CD2 4.45Å; W24-L34 HydrophobicContact CZ2-CD2 4.18Å; W24-L34 HydrophobicContact CZ3-CD1 3.6Å; W24-L34 HydrophobicContact CZ3-CD2 4.4Å; W24-L34 HydrophobicContact CZ3-CG 4.08Å; L34-L49 WeakPolarHBondContact O-CA 3.02Å; L34-V50 HydrophobicContact CB-CG2 4.03Å; L34-V50 PolarHBondContact N-O 3.07Å; L34-V50 PolarHBondContact O-N 2.86Å; L34-F59 HydrophobicContact CD1-CE1 4.08Å; L34-F59 HydrophobicContact CD1-CZ 4.46Å; L34-A330 HydrophobicContact CD2-CB 3.79Å; L34-L337 HydrophobicContact CD1-CD2 4.15Å; L34-L337 HydrophobicContact CD2-CD1 3.95Å; L34-L337 HydrophobicContact CD2-CD2 4.21Å; L34-I339 HydrophobicContact CD1-CG2 4.34Å
35A98.5Very high94.5Very high0 Ų050.9 Ų50.90%024%0.238CC..EExtended strand (participates in β ladder)trans-107137.1163.600000108.5M22 N23 Q48 L49 I74 W76 L88M22-A35 CarbonylContact C-O 3.57Å; M22-A35 WeakPolarHBondContact CA-O 3.21Å; N23-A35 PolarHBondContact N-O 3.02Å; N23-A35 PolarHBondContact O-N 2.87Å; A35-Q48 CarbonylContact C-O 3.58Å; A35-Q48 WeakPolarHBondContact CA-O 3.09Å; A35-L49 HydrophobicContact CB-CD2 3.63Å; A35-I74 HydrophobicContact CB-CG2 3.77Å; A35-W76 HydrophobicContact CB-CZ2 4.02Å; A35-L88 HydrophobicContact CB-CD1 3.74Å; A35-L88 HydrophobicContact CB-CD2 4.01Å
36L98.6Very high94.6Very high0 Ų053.9 Ų53.90%025%0.251CS..EExtended strand (participates in β ladder)trans-125.2135.5-178.5-55.5-179.3000109.5Y13 W17 V19 A21 M22 V47 Q48 V50 L337Y13-L36 HydrophobicContact CD1-CD1 3.78Å; Y13-L36 HydrophobicContact CE1-CD1 3.98Å; W17-L36 HydrophobicContact CH2-CB 3.62Å; W17-L36 HydrophobicContact CZ3-CB 4.34Å; V19-L36 HydrophobicContact CG1-CB 4.38Å; V19-L36 HydrophobicContact CG1-CD2 4.25Å; A21-L36 CarbonylContact O-C 3.54Å; A21-L36 WeakPolarHBondContact O-CA 3.28Å; M22-L36 HydrophobicContact CB-CD2 3.52Å; L36-V47 CarbonylContact O-C 3.51Å; L36-V47 VanDerWaalsContact O-CA 3.28Å; L36-V47 WeakPolarHBondContact O-CA 3.38Å; L36-Q48 PolarHBondContact N-O 3.3Å; L36-Q48 PolarHBondContact O-N 3.46Å; L36-V50 HydrophobicContact CD1-CG1 4.1Å; L36-V50 HydrophobicContact CD1-CG2 3.95Å; L36-V50 HydrophobicContact CG-CG2 4.17Å; L36-L337 HydrophobicContact CD1-CB 4.17Å; L36-L337 HydrophobicContact CD1-CD2 4.14Å; L36-L337 HydrophobicContact CD2-CB 4.37Å; L36-L337 HydrophobicContact CD2-CD1 4.2Å; L36-L337 HydrophobicContact CD2-CD2 4.09Å; L36-L337 HydrophobicContact CD2-CG 4.43Å
37G98.3Very high94.7Very high0 Ų053.1 Ų53.10%025%0.246CC..EExtended strand (participates in β ladder)trans-109.2135.6175.500000111.2Y20 A21Y20-G37 PolarHBondContact N-O 2.93Å; A21-G37 PolarHBondContact N-O 3.23Å; A21-G37 PolarHBondContact O-N 3.09Å
38S97.8Very high95Very high1 Ų151.4 Ų51.41%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-74.8156.8177.770.10000112.8W17 T18 N45 K46 P70W17-S38 VanDerWaalsContact CG-CB 3.44Å; T18-S38 CarbonylContact O-C 3.58Å; T18-S38 WeakPolarHBondContact O-CA 3.46Å; S38-N45 PolarHBondContact O-OD1 2.7Å; S38-N45 VanDerWaalsContact O-OD1 3.06Å; S38-N45 VanDerWaalsContact OG-CA 3.3Å; S38-N45 WeakPolarHBondContact OG-CA 3.18Å; S38-N45 VanDerWaalsContact OG-CB 3.31Å; S38-N45 WeakPolarHBondContact OG-CB 3.47Å; S38-N45 PolarHBondContact OG-OD1 3.14Å; S38-K46 PolarHBondContact N-O 2.89Å; S38-K46 PolarHBondContact OG-N 3.47Å; S38-K46 PolarHBondContact OG-O 3.2Å; S38-P70 WeakPolarHBondContact O-CA 3.13Å
39F96.4Very high95.6Very high87 Ų8748.3 Ų48.338%0.38222%0.22SC..EExtended strand (participates in β ladder)trans-110.4102.8155.1-166.2-92.9000108.9T18 Y20 E41 P70T18-F39 HydrophobicContact CG2-CB 4.18Å; T18-F39 PolarHBondContact O-N 3.08Å; Y20-F39 HydrophobicContact CD1-CD2 4.47Å; Y20-F39 AromaticContact CD2-CD2 3.86Å; Y20-F39 HydrophobicContact CD2-CD2 3.86Å; Y20-F39 HydrophobicContact CE2-CD2 4.25Å; Y20-F39 HydrophobicContact CG-CB 4.4Å; Y20-F39 HydrophobicContact CG-CD2 4.02Å; F39-E41 HydrophobicContact CE1-CG 4.21Å; F39-P70 HydrophobicContact CD2-CB 3.88Å; F39-P70 HydrophobicContact CD2-CG 3.85Å; F39-P70 HydrophobicContact CE2-CB 4.42Å; F39-P70 HydrophobicContact CE2-CG 4.12Å; F39-P70 HydrophobicContact CG-CG 4.48Å
40V95.5Very high95.9Very high40 Ų4044 Ų4424%0.24220%0.197CC..  trans-124.1132167.8-174.20000106.6W17 E42 N44 N45W17-V40 HydrophobicContact CB-CG2 4.21Å; V40-E42 HydrophobicContact CG1-CB 4.28Å; V40-E42 PolarHBondContact O-N 3.25Å; V40-N44 VanDerWaalsContact CG1-OD1 3.28Å; V40-N44 WeakPolarHBondContact CG1-OD1 3.36Å; V40-N45 PolarHBondContact N-OD1 2.91Å; V40-N45 PolarHBondContact O-ND2 2.74Å; V40-N45 PolarHBondContact O-OD1 2.87Å
41E90.4Very high96.2Very high183 Ų18342.1 Ų42.186%0.85519%0.19SC*.SBendtrans-65-24.6-176-64.3-177172.700112.6F39F39-E41 HydrophobicContact CE1-CG 4.21Å
42E89.9Confident96.3Very high127 Ų12737.1 Ų37.159%0.59317%0.172SC*.SBendtrans-83.5166.2179.6-63.1177.2176.300113.4V40 N44 N45V40-E42 HydrophobicContact CG1-CB 4.28Å; V40-E42 PolarHBondContact O-N 3.25Å; E42-N44 WeakPolarHBondContact CB-OD1 3.36Å; E42-N44 PolarHBondContact O-N 3.34Å; E42-N44 PolarHBondContact OE2-ND2 3.5Å; E42-N45 PolarHBondContact O-ND2 3.34Å
43Y90.1Very high96.3Very high147 Ų14740.2 Ų40.258%0.57619%0.187SC*.SBendtrans-7756.1176.5-165.5-93.5000112.2P68 Y69Y43-P68 CarbonylContact C-O 3.53Å; Y43-P68 WeakPolarHBondContact CA-O 3.46Å; Y43-P68 HydrophobicContact CD2-CB 4.31Å; Y43-P68 WeakPolarHBondContact CD2-O 3.22Å; Y43-P68 HydrophobicContact CE1-CB 4.16Å; Y43-P68 HydrophobicContact CE2-CB 3.59Å; Y43-P68 VanDerWaalsContact CZ-CB 3.49Å; Y43-P68 WeakPolarHBondContact OH-CB 3.36Å; Y43-Y69 HydrophobicContact CD2-CD1 4.18Å; Y43-Y69 HydrophobicContact CD2-CD2 4.48Å; Y43-Y69 AromaticContact CD2-CE1 3.61Å; Y43-Y69 HydrophobicContact CD2-CE1 3.61Å; Y43-Y69 AromaticContact CD2-CE2 3.96Å; Y43-Y69 HydrophobicContact CD2-CE2 3.96Å; Y43-Y69 AromaticContact CD2-CZ 3.48Å; Y43-Y69 VanDerWaalsContact CD2-CZ 3.48Å; Y43-Y69 HydrophobicContact CE2-CD2 4.1Å; Y43-Y69 AromaticContact CE2-CE1 3.98Å; Y43-Y69 HydrophobicContact CE2-CE1 3.98Å; Y43-Y69 AromaticContact CE2-CE2 3.43Å; Y43-Y69 HydrophobicContact CE2-CE2 3.43Å; Y43-Y69 VanDerWaalsContact CE2-CE2 3.43Å; Y43-Y69 AromaticContact CE2-CZ 3.35Å; Y43-Y69 WeakPolarHBondContact CE2-OH 3.48Å
44N94.6Very high96Very high68 Ų6844.3 Ų44.336%0.36421%0.207SC..  trans-155.234.4-175.960.98000112.2V40 E42 K46V40-N44 VanDerWaalsContact CG1-OD1 3.28Å; V40-N44 WeakPolarHBondContact CG1-OD1 3.36Å; E42-N44 WeakPolarHBondContact CB-OD1 3.36Å; E42-N44 PolarHBondContact O-N 3.34Å; E42-N44 PolarHBondContact OE2-ND2 3.5Å; N44-K46 WeakPolarHBondContact O-CE 3.32Å
45N97.6Very high95.6Very high1 Ų153.9 Ų53.91%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-63.9165.1177.1-78.7-91.2000111.6S38 V40 E42 H67 Y69 P70S38-N45 PolarHBondContact O-OD1 2.7Å; S38-N45 VanDerWaalsContact O-OD1 3.06Å; S38-N45 VanDerWaalsContact OG-CA 3.3Å; S38-N45 WeakPolarHBondContact OG-CA 3.18Å; S38-N45 VanDerWaalsContact OG-CB 3.31Å; S38-N45 WeakPolarHBondContact OG-CB 3.47Å; S38-N45 PolarHBondContact OG-OD1 3.14Å; V40-N45 PolarHBondContact N-OD1 2.91Å; V40-N45 PolarHBondContact O-ND2 2.74Å; V40-N45 PolarHBondContact O-OD1 2.87Å; E42-N45 PolarHBondContact O-ND2 3.34Å; N45-H67 CarbonylContact C-O 3.31Å; N45-H67 VanDerWaalsContact C-O 3.27Å; N45-H67 VanDerWaalsContact CA-O 3.28Å; N45-H67 WeakPolarHBondContact CA-O 3.37Å; N45-H67 HydrophobicContact CB-CB 4.45Å; N45-H67 VanDerWaalsContact CB-O 3.25Å; N45-H67 WeakPolarHBondContact CB-O 3.39Å; N45-H67 PolarHBondContact N-O 2.95Å; N45-H67 PolarHBondContact O-N 2.86Å; N45-Y69 VanDerWaalsContact CB-C 3.49Å; N45-Y69 VanDerWaalsContact CB-O 3.31Å; N45-Y69 WeakPolarHBondContact CB-O 3.33Å; N45-Y69 VanDerWaalsContact CG-C 3.43Å; N45-P70 VanDerWaalsContact CG-N 3.31Å; N45-P70 VanDerWaalsContact ND2-CD 3.28Å; N45-P70 WeakPolarHBondContact ND2-CD 3.05Å
46K97.8Very high95.4Very high66 Ų6656.5 Ų56.529%0.28727%0.269SS..EExtended strand (participates in β ladder)trans-133.5151.1-175.7-52.9-67.7171.6175.40110.1S38 N44 T64 F65 D66S38-K46 PolarHBondContact N-O 2.89Å; S38-K46 PolarHBondContact OG-N 3.47Å; S38-K46 PolarHBondContact OG-O 3.2Å; N44-K46 WeakPolarHBondContact O-CE 3.32Å; K46-T64 HydrophobicContact CB-CG2 4.07Å; K46-T64 HydrophobicContact CD-CG2 4.37Å; K46-T64 HydrophobicContact CG-CG2 4.39Å; K46-F65 VanDerWaalsContact CA-O 3.32Å; K46-F65 WeakPolarHBondContact CA-O 3.26Å; K46-D66 WeakPolarHBondContact CD-OD1 3.38Å; K46-D66 WeakPolarHBondContact CE-OD1 3.5Å; K46-D66 IonicContact NZ-OD1 2.98Å; K46-D66 PolarHBondContact NZ-OD1 2.79Å
47V98.3Very high95.1Very high0 Ų059.2 Ų59.20%029%0.288CS..EExtended strand (participates in β ladder)trans-116.3131.1161.2177.10000108L36 T64 F65 H67 T71 I74 L88 T90L36-V47 CarbonylContact O-C 3.51Å; L36-V47 VanDerWaalsContact O-CA 3.28Å; L36-V47 WeakPolarHBondContact O-CA 3.38Å; V47-T64 WeakPolarHBondContact O-CA 3.28Å; V47-F65 HydrophobicContact CB-CD1 4.36Å; V47-F65 HydrophobicContact CB-CD2 4.21Å; V47-F65 HydrophobicContact CB-CE1 3.75Å; V47-F65 HydrophobicContact CB-CE2 3.6Å; V47-F65 HydrophobicContact CB-CZ 3.36Å; V47-F65 HydrophobicContact CG1-CE1 3.62Å; V47-F65 HydrophobicContact CG1-CE2 4.09Å; V47-F65 HydrophobicContact CG1-CZ 3.33Å; V47-F65 HydrophobicContact CG2-CE2 4.08Å; V47-F65 HydrophobicContact CG2-CZ 4.16Å; V47-F65 PolarHBondContact N-O 3.31Å; V47-F65 WeakPolarHBondContact O-CD1 3.3Å; V47-F65 PolarHBondContact O-N 2.78Å; V47-H67 HydrophobicContact CG2-CB 4.14Å; V47-T71 HydrophobicContact CG2-CG2 3.64Å; V47-I74 HydrophobicContact CG1-CD1 4.12Å; V47-I74 HydrophobicContact CG2-CD1 4.19Å; V47-L88 HydrophobicContact CG1-CD2 4.07Å; V47-T90 HydrophobicContact CG2-CG2 4.28Å
48Q97.9Very high95Very high11 Ų1165.4 Ų65.45%0.05132%0.318CS..EExtended strand (participates in β ladder)trans-122.6131.5-176-173.2168.439.600110.3Y13 W17 A35 L36 V50 C61 N63 T64Y13-Q48 VanDerWaalsContact OH-CD 3.27Å; Y13-Q48 PolarHBondContact OH-NE2 3.32Å; Y13-Q48 PolarHBondContact OH-OE1 3.14Å; W17-Q48 HydrophobicContact CH2-CB 4.35Å; W17-Q48 HydrophobicContact CZ2-CB 3.81Å; A35-Q48 CarbonylContact C-O 3.58Å; A35-Q48 WeakPolarHBondContact CA-O 3.09Å; L36-Q48 PolarHBondContact N-O 3.3Å; L36-Q48 PolarHBondContact O-N 3.46Å; Q48-V50 HydrophobicContact CG-CG1 4.03Å; Q48-C61 PolarHBondContact NE2-SG 3.45Å; Q48-N63 CarbonylContact C-O 3.5Å; Q48-N63 WeakPolarHBondContact CA-O 3.41Å; Q48-T64 WeakPolarHBondContact CG-OG1 3.37Å; Q48-T64 PolarHBondContact NE2-OG1 3.16Å
49L98.1Very high95Very high5 Ų566.5 Ų66.53%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-98.6122.5175.1-51.1-172.4000108.3L34 A35 R62 N63 F65 W76 L88 V100L34-L49 WeakPolarHBondContact O-CA 3.02Å; A35-L49 HydrophobicContact CB-CD2 3.63Å; L49-R62 HydrophobicContact CB-CB 4.48Å; L49-R62 PolarHBondContact O-N 2.94Å; L49-N63 HydrophobicContact CB-CB 4.25Å; L49-N63 HydrophobicContact CD1-CB 4.14Å; L49-N63 HydrophobicContact CG-CB 4.24Å; L49-N63 PolarHBondContact N-O 3.48Å; L49-N63 PolarHBondContact O-N 2.91Å; L49-F65 HydrophobicContact CD2-CE1 4.4Å; L49-F65 HydrophobicContact CG-CE1 4.45Å; L49-W76 HydrophobicContact CD1-CH2 4.15Å; L49-W76 HydrophobicContact CD2-CH2 4.16Å; L49-W76 HydrophobicContact CD2-CZ2 3.94Å; L49-L88 HydrophobicContact CD2-CD2 4.02Å; L49-V100 HydrophobicContact CD1-CB 4.4Å; L49-V100 HydrophobicContact CD1-CG1 3.47Å; L49-V100 VanDerWaalsContact CD1-CG1 3.47Å; L49-V100 HydrophobicContact CD1-CG2 3.99Å
50V97.8Very high94.9Very high0 Ų064.5 Ų64.50%032%0.317CS..EExtended strand (participates in β ladder)trans-122153.7-179.9-58.80000110Y13 R33 L34 L36 Q48 F59 V60 L337Y13-V50 HydrophobicContact CD1-CG1 3.96Å; Y13-V50 HydrophobicContact CD2-CG1 4.49Å; Y13-V50 HydrophobicContact CE1-CG1 3.6Å; Y13-V50 HydrophobicContact CE2-CG1 4.18Å; Y13-V50 HydrophobicContact CG-CG1 4.39Å; R33-V50 WeakPolarHBondContact CA-O 3.41Å; L34-V50 HydrophobicContact CB-CG2 4.03Å; L34-V50 PolarHBondContact N-O 3.07Å; L34-V50 PolarHBondContact O-N 2.86Å; L36-V50 HydrophobicContact CD1-CG1 4.1Å; L36-V50 HydrophobicContact CD1-CG2 3.95Å; L36-V50 HydrophobicContact CG-CG2 4.17Å; Q48-V50 HydrophobicContact CG-CG1 4.03Å; V50-F59 HydrophobicContact CB-CD1 4.35Å; V50-F59 HydrophobicContact CG2-CD1 4.25Å; V50-F59 HydrophobicContact CG2-CE1 4.4Å; V50-V60 WeakPolarHBondContact CA-O 3.25Å; V50-L337 HydrophobicContact CG2-CD2 3.92Å
51G96.9Very high95Very high6 Ų665.2 Ų65.26%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-144.9138172.200000112.2F32 V60F32-G51 VanDerWaalsContact O-CA 3.25Å; F32-G51 WeakPolarHBondContact O-CA 3.4Å; G51-V60 PolarHBondContact N-O 3.48Å; G51-V60 PolarHBondContact O-N 2.69Å
52L96.9Very high95.2Very high12 Ų1263.1 Ų63.16%0.06331%0.307CS..EExtended strand (participates in β ladder)trans-72.4125.3169.8-172.573.2000109.4Y11 F32 F59 I339Y11-L52 HydrophobicContact CD1-CD1 3.88Å; Y11-L52 HydrophobicContact CD1-CD2 4.24Å; Y11-L52 HydrophobicContact CD2-CD1 4.33Å; Y11-L52 HydrophobicContact CD2-CD2 3.5Å; Y11-L52 VanDerWaalsContact CD2-CD2 3.5Å; Y11-L52 HydrophobicContact CE1-CD2 4.37Å; Y11-L52 HydrophobicContact CE2-CD2 3.6Å; Y11-L52 HydrophobicContact CG-CD1 3.77Å; Y11-L52 HydrophobicContact CG-CD2 3.81Å; Y11-L52 HydrophobicContact CG-CG 4.48Å; F32-L52 HydrophobicContact CB-CB 3.85Å; F32-L52 HydrophobicContact CG-CB 4.36Å; F32-L52 PolarHBondContact O-N 2.72Å; F32-L52 VanDerWaalsContact O-N 3.16Å; L52-F59 HydrophobicContact CB-CD1 4.16Å; L52-F59 HydrophobicContact CB-CE1 3.93Å; L52-F59 HydrophobicContact CB-CZ 4.17Å; L52-F59 HydrophobicContact CD1-CD2 3.9Å; L52-F59 HydrophobicContact CD1-CE2 4.04Å; L52-F59 HydrophobicContact CD1-CG 4.22Å; L52-F59 HydrophobicContact CD1-CZ 4.44Å; L52-I339 HydrophobicContact CD2-CD1 4.17Å
53E95.1Very high95.4Very high71 Ų7159 Ų5933%0.33229%0.289SS..EExtended strand (participates in β ladder)trans-85.9108.9166.1-70.1-168.3169.500108.8E55 S56 S57 E58 V60 R62E53-E55 PolarHBondContact O-N 3.46Å; E53-S56 VanDerWaalsContact CB-OG 3.3Å; E53-S56 WeakPolarHBondContact CB-OG 3.5Å; E53-S56 PolarHBondContact O-N 3.27Å; E53-S56 PolarHBondContact O-OG 3.18Å; E53-S57 WeakPolarHBondContact O-CA 3.36Å; E53-S57 PolarHBondContact O-N 3.32Å; E53-E58 PolarHBondContact N-O 2.83Å; E53-V60 HydrophobicContact CG-CB 4.48Å; E53-V60 HydrophobicContact CG-CG2 3.82Å; E53-R62 IonicContact OE1-CZ 3.74Å; E53-R62 VanDerWaalsContact OE1-CZ 3.27Å; E53-R62 IonicContact OE1-NH1 3.48Å; E53-R62 PolarHBondContact OE1-NH1 2.94Å; E53-R62 IonicContact OE1-NH2 2.63Å; E53-R62 PolarHBondContact OE1-NH2 3.01Å
54E90.1Very high95.8Very high105 Ų10555 Ų5549%0.49128%0.28SS..THydrogen-bonded Turntrans-61.8-32-173.4-66.4-179.4-10800112.6R31 F32R31-E54 IonicContact CZ-OE1 3.78Å; R31-E54 IonicContact CZ-OE2 3.83Å; R31-E54 IonicContact NH1-OE1 2.74Å; R31-E54 PolarHBondContact NH1-OE1 2.85Å; R31-E54 IonicContact NH1-OE2 2.77Å; R31-E54 PolarHBondContact NH1-OE2 2.95Å; F32-E54 HydrophobicContact CD2-CG 4.12Å; F32-E54 HydrophobicContact CE2-CG 3.92Å
55E91.3Very high95.9Very high202 Ų20252.7 Ų52.794%0.94427%0.267SS*.THydrogen-bonded Turntrans-68.2-42.2179.9-64.7-177-179.900112.8E53E53-E55 PolarHBondContact O-N 3.46Å
56S93.4Very high95.9Very high54 Ų5457.9 Ų57.938%0.37830%0.295SS..THydrogen-bonded Turntrans-90.8-15.8178.957.90000112.8E53 E58E53-S56 VanDerWaalsContact CB-OG 3.3Å; E53-S56 WeakPolarHBondContact CB-OG 3.5Å; E53-S56 PolarHBondContact O-N 3.27Å; E53-S56 PolarHBondContact O-OG 3.18Å; S56-E58 PolarHBondContact O-N 2.81Å; S56-E58 PolarHBondContact OG-N 3.26Å
57S93.3Very high95.8Very high57 Ų5754.9 Ų54.940%0.39928%0.282SS..THydrogen-bonded Turntrans58.828.3-171.2-73.20000113.2E53E53-S57 WeakPolarHBondContact O-CA 3.36Å; E53-S57 PolarHBondContact O-N 3.32Å
58E95.5Very high95.6Very high131 Ų13155.9 Ų55.961%0.61229%0.288SS*.EExtended strand (participates in β ladder)trans-120.8143.8-178.5-69.3-176.3168.600111.4E53 S56E53-E58 PolarHBondContact N-O 2.83Å; S56-E58 PolarHBondContact O-N 2.81Å; S56-E58 PolarHBondContact OG-N 3.26Å
59F97.1Very high95.5Very high24 Ų2460.5 Ų60.511%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-80.2134.1172.2-87.4-79.5000110.9Y13 L34 V50 L52 L337 I339Y13-F59 HydrophobicContact CD2-CB 3.58Å; Y13-F59 HydrophobicContact CD2-CG 4.42Å; Y13-F59 HydrophobicContact CG-CB 4.04Å; Y13-F59 HydrophobicContact CG-CG 4.42Å; L34-F59 HydrophobicContact CD1-CE1 4.08Å; L34-F59 HydrophobicContact CD1-CZ 4.46Å; V50-F59 HydrophobicContact CB-CD1 4.35Å; V50-F59 HydrophobicContact CG2-CD1 4.25Å; V50-F59 HydrophobicContact CG2-CE1 4.4Å; L52-F59 HydrophobicContact CB-CD1 4.16Å; L52-F59 HydrophobicContact CB-CE1 3.93Å; L52-F59 HydrophobicContact CB-CZ 4.17Å; L52-F59 HydrophobicContact CD1-CD2 3.9Å; L52-F59 HydrophobicContact CD1-CE2 4.04Å; L52-F59 HydrophobicContact CD1-CG 4.22Å; L52-F59 HydrophobicContact CD1-CZ 4.44Å; F59-L337 HydrophobicContact CE1-CD2 4.16Å; F59-L337 HydrophobicContact CZ-CD2 4.12Å; F59-I339 HydrophobicContact CE2-CD1 4.22Å; F59-I339 HydrophobicContact CE2-CG1 4.01Å; F59-I339 HydrophobicContact CZ-CD1 3.7Å; F59-I339 HydrophobicContact CZ-CG1 3.81Å; F59-I339 HydrophobicContact CZ-CG2 3.98Å
60V96.1Very high95.4Very high45 Ų4561.5 Ų61.527%0.27331%0.313SS..EExtended strand (participates in β ladder)trans-115.8130.7175.8-178.60000109.6V50 G51 E53 R62V50-V60 WeakPolarHBondContact CA-O 3.25Å; G51-V60 PolarHBondContact N-O 3.48Å; G51-V60 PolarHBondContact O-N 2.69Å; E53-V60 HydrophobicContact CG-CB 4.48Å; E53-V60 HydrophobicContact CG-CG2 3.82Å; V60-R62 PolarHBondContact O-N 3.3Å
61C96.1Very high95.3Very high54 Ų5461.6 Ų61.637%0.36531%0.313SS..EExtended strand (participates in β ladder)trans-70.4117.4167.1170.70000109.4Q48Q48-C61 PolarHBondContact NE2-SG 3.45Å
62R94.6Very high95.3Very high140 Ų14062.9 Ų62.953%0.52832%0.32SS..EExtended strand (participates in β ladder)trans-90.7-39.3-179.8-61.5-66-173.5-168.1-5.4112.2L49 E53 V60L49-R62 HydrophobicContact CB-CB 4.48Å; L49-R62 PolarHBondContact O-N 2.94Å; E53-R62 IonicContact OE1-CZ 3.74Å; E53-R62 VanDerWaalsContact OE1-CZ 3.27Å; E53-R62 IonicContact OE1-NH1 3.48Å; E53-R62 PolarHBondContact OE1-NH1 2.94Å; E53-R62 IonicContact OE1-NH2 2.63Å; E53-R62 PolarHBondContact OE1-NH2 3.01Å; V60-R62 PolarHBondContact O-N 3.3Å
63N95.5Very high95.3Very high40 Ų4064.5 Ų64.521%0.21433%0.326CS..EExtended strand (participates in β ladder)trans-158.2150.7-178.4-161.2-11000110.8Q48 L49 T105Q48-N63 CarbonylContact C-O 3.5Å; Q48-N63 WeakPolarHBondContact CA-O 3.41Å; L49-N63 HydrophobicContact CB-CB 4.25Å; L49-N63 HydrophobicContact CD1-CB 4.14Å; L49-N63 HydrophobicContact CG-CB 4.24Å; L49-N63 PolarHBondContact N-O 3.48Å; L49-N63 PolarHBondContact O-N 2.91Å; N63-T105 WeakPolarHBondContact ND2-CB 3.24Å; N63-T105 PolarHBondContact ND2-N 3.32Å; N63-T105 PolarHBondContact ND2-OG1 3.33Å
64T96.9Very high95.5Very high62 Ų6261.1 Ų61.138%0.3831%0.311SS..EExtended strand (participates in β ladder)trans-139.2133.4172.2-56.80000108.9K46 V47 Q48K46-T64 HydrophobicContact CB-CG2 4.07Å; K46-T64 HydrophobicContact CD-CG2 4.37Å; K46-T64 HydrophobicContact CG-CG2 4.39Å; V47-T64 WeakPolarHBondContact O-CA 3.28Å; Q48-T64 WeakPolarHBondContact CG-OG1 3.37Å; Q48-T64 PolarHBondContact NE2-OG1 3.16Å
65F97.1Very high95.9Very high20 Ų2057.3 Ų57.39%0.08829%0.293CS..EExtended strand (participates in β ladder)trans-139.5161.3178.459.9-86.1000111.9K46 V47 L49 L88 W98 T105K46-F65 VanDerWaalsContact CA-O 3.32Å; K46-F65 WeakPolarHBondContact CA-O 3.26Å; V47-F65 HydrophobicContact CB-CD1 4.36Å; V47-F65 HydrophobicContact CB-CD2 4.21Å; V47-F65 HydrophobicContact CB-CE1 3.75Å; V47-F65 HydrophobicContact CB-CE2 3.6Å; V47-F65 HydrophobicContact CB-CZ 3.36Å; V47-F65 HydrophobicContact CG1-CE1 3.62Å; V47-F65 HydrophobicContact CG1-CE2 4.09Å; V47-F65 HydrophobicContact CG1-CZ 3.33Å; V47-F65 HydrophobicContact CG2-CE2 4.08Å; V47-F65 HydrophobicContact CG2-CZ 4.16Å; V47-F65 PolarHBondContact N-O 3.31Å; V47-F65 WeakPolarHBondContact O-CD1 3.3Å; V47-F65 PolarHBondContact O-N 2.78Å; L49-F65 HydrophobicContact CD2-CE1 4.4Å; L49-F65 HydrophobicContact CG-CE1 4.45Å; F65-L88 HydrophobicContact CE1-CD2 4.48Å; F65-L88 HydrophobicContact CZ-CD2 4Å; F65-W98 HydrophobicContact CD2-CD2 4.24Å; F65-W98 AromaticContact CD2-CE3 3.9Å; F65-W98 HydrophobicContact CD2-CE3 3.9Å; F65-W98 AromaticContact CD2-CH2 3.91Å; F65-W98 HydrophobicContact CD2-CH2 3.91Å; F65-W98 HydrophobicContact CD2-CZ2 4.26Å; F65-W98 AromaticContact CD2-CZ3 3.72Å; F65-W98 HydrophobicContact CD2-CZ3 3.72Å; F65-W98 AromaticContact CE2-CD2 3.56Å; F65-W98 HydrophobicContact CE2-CD2 3.56Å; F65-W98 AromaticContact CE2-CE2 3.63Å; F65-W98 AromaticContact CE2-CE3 3.69Å; F65-W98 HydrophobicContact CE2-CE3 3.69Å; F65-W98 HydrophobicContact CE2-CG 4.12Å; F65-W98 AromaticContact CE2-CH2 3.95Å; F65-W98 HydrophobicContact CE2-CH2 3.95Å; F65-W98 AromaticContact CE2-CZ2 3.84Å; F65-W98 HydrophobicContact CE2-CZ2 3.84Å; F65-W98 AromaticContact CE2-CZ3 3.88Å; F65-W98 HydrophobicContact CE2-CZ3 3.88Å; F65-W98 HydrophobicContact CZ-CD2 4.19Å; F65-W98 HydrophobicContact CZ-CE3 4.49Å; F65-W98 HydrophobicContact CZ-CG 4.29Å; F65-T105 HydrophobicContact CD1-CG2 3.77Å; F65-T105 HydrophobicContact CE1-CG2 3.62Å; F65-T105 HydrophobicContact CE2-CG2 4.4Å; F65-T105 HydrophobicContact CG-CG2 4.24Å; F65-T105 HydrophobicContact CZ-CG2 3.93Å
66D97.1Very high96.2Very high111 Ų11147.9 Ų47.959%0.59425%0.249SC*.EExtended strand (participates in β ladder)trans-77.7140.6-174-63.8-22000112.3K46K46-D66 WeakPolarHBondContact CD-OD1 3.38Å; K46-D66 WeakPolarHBondContact CE-OD1 3.5Å; K46-D66 IonicContact NZ-OD1 2.98Å; K46-D66 PolarHBondContact NZ-OD1 2.79Å
67H97.3Very high96.4Very high2 Ų245.4 Ų45.41%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-133.7133172-162-85.6000109.7N45 V47 Y69 T90 W98N45-H67 CarbonylContact C-O 3.31Å; N45-H67 VanDerWaalsContact C-O 3.27Å; N45-H67 VanDerWaalsContact CA-O 3.28Å; N45-H67 WeakPolarHBondContact CA-O 3.37Å; N45-H67 HydrophobicContact CB-CB 4.45Å; N45-H67 VanDerWaalsContact CB-O 3.25Å; N45-H67 WeakPolarHBondContact CB-O 3.39Å; N45-H67 PolarHBondContact N-O 2.95Å; N45-H67 PolarHBondContact O-N 2.86Å; V47-H67 HydrophobicContact CG2-CB 4.14Å; H67-Y69 PolarHBondContact ND1-O 2.78Å; H67-Y69 PolarHBondContact O-N 3.35Å; H67-T90 PolarHBondContact CD2-OG1 2.99Å; H67-T90 PolarHBondContact NE2-OG1 3.43Å; H67-W98 AromaticContact CD2-CZ2 3.86Å
68P93.9Very high96.5Very high22 Ų2243.7 Ų43.714%0.14322%0.219CC..SBendtrans-53-44.5-177.9-39.144.7000116.3Y43Y43-P68 CarbonylContact C-O 3.53Å; Y43-P68 WeakPolarHBondContact CA-O 3.46Å; Y43-P68 HydrophobicContact CD2-CB 4.31Å; Y43-P68 WeakPolarHBondContact CD2-O 3.22Å; Y43-P68 HydrophobicContact CE1-CB 4.16Å; Y43-P68 HydrophobicContact CE2-CB 3.59Å; Y43-P68 VanDerWaalsContact CZ-CB 3.49Å; Y43-P68 WeakPolarHBondContact OH-CB 3.36Å
69Y94.6Very high96.3Very high108 Ų10837.8 Ų37.842%0.42419%0.192SC..SBendtrans-133.2168.1-173.6-65.7-72.9000110.6Y43 N45 H67 T71 D93Y43-Y69 HydrophobicContact CD2-CD1 4.18Å; Y43-Y69 HydrophobicContact CD2-CD2 4.48Å; Y43-Y69 AromaticContact CD2-CE1 3.61Å; Y43-Y69 HydrophobicContact CD2-CE1 3.61Å; Y43-Y69 AromaticContact CD2-CE2 3.96Å; Y43-Y69 HydrophobicContact CD2-CE2 3.96Å; Y43-Y69 AromaticContact CD2-CZ 3.48Å; Y43-Y69 VanDerWaalsContact CD2-CZ 3.48Å; Y43-Y69 HydrophobicContact CE2-CD2 4.1Å; Y43-Y69 AromaticContact CE2-CE1 3.98Å; Y43-Y69 HydrophobicContact CE2-CE1 3.98Å; Y43-Y69 AromaticContact CE2-CE2 3.43Å; Y43-Y69 HydrophobicContact CE2-CE2 3.43Å; Y43-Y69 VanDerWaalsContact CE2-CE2 3.43Å; Y43-Y69 AromaticContact CE2-CZ 3.35Å; Y43-Y69 WeakPolarHBondContact CE2-OH 3.48Å; N45-Y69 VanDerWaalsContact CB-C 3.49Å; N45-Y69 VanDerWaalsContact CB-O 3.31Å; N45-Y69 WeakPolarHBondContact CB-O 3.33Å; N45-Y69 VanDerWaalsContact CG-C 3.43Å; H67-Y69 PolarHBondContact ND1-O 2.78Å; H67-Y69 PolarHBondContact O-N 3.35Å; Y69-T71 PolarHBondContact O-N 2.86Å; Y69-D93 HydrophobicContact CD2-CB 3.87Å; Y69-D93 HydrophobicContact CE2-CB 3.85Å
70P96.3Very high96Very high26 Ų2640.8 Ų40.817%0.16921%0.212CC..  trans-54.8133.7169-23.935.1000109.8Y20 S38 F39 N45 T72Y20-P70 HydrophobicContact CD1-CB 3.85Å; Y20-P70 HydrophobicContact CE1-CB 4.24Å; S38-P70 WeakPolarHBondContact O-CA 3.13Å; F39-P70 HydrophobicContact CD2-CB 3.88Å; F39-P70 HydrophobicContact CD2-CG 3.85Å; F39-P70 HydrophobicContact CE2-CB 4.42Å; F39-P70 HydrophobicContact CE2-CG 4.12Å; F39-P70 HydrophobicContact CG-CG 4.48Å; N45-P70 VanDerWaalsContact CG-N 3.31Å; N45-P70 VanDerWaalsContact ND2-CD 3.28Å; N45-P70 WeakPolarHBondContact ND2-CD 3.05Å; P70-T72 PolarHBondContact O-N 2.89Å
71T96.3Very high95.8Very high1 Ų146.8 Ų46.81%0.00624%0.235CC..  trans-73.1113.1-179.352.50000109.5Y20 A21 V47 Y69 K73 I74 T90 S91Y20-T71 WeakPolarHBondContact CD1-O 3.31Å; A21-T71 WeakPolarHBondContact CB-O 3.49Å; V47-T71 HydrophobicContact CG2-CG2 3.64Å; Y69-T71 PolarHBondContact O-N 2.86Å; T71-K73 PolarHBondContact O-N 2.82Å; T71-I74 HydrophobicContact CG2-CD1 4.08Å; T71-I74 HydrophobicContact CG2-CG1 4.06Å; T71-I74 WeakPolarHBondContact OG1-CD1 3.41Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.48Å; T71-T90 HydrophobicContact CG2-CG2 4.27Å; T71-S91 CarbonylContact C-O 3.53Å; T71-S91 WeakPolarHBondContact CA-O 3.44Å
72T96.3Very high95.4Very high34 Ų3445.1 Ų45.121%0.20923%0.227CC..SBendtrans-63.3-27.3179.952.10000112.5P70 S91 L123P70-T72 PolarHBondContact O-N 2.89Å; T72-S91 PolarHBondContact N-O 3.26Å; T72-S91 WeakPolarHBondContact OG1-CB 3.46Å; T72-S91 PolarHBondContact OG1-OG 2.87Å; T72-L123 WeakPolarHBondContact CB-O 3.49Å; T72-L123 VanDerWaalsContact CG2-O 3.31Å; T72-L123 WeakPolarHBondContact CG2-O 3.37Å; T72-L123 PolarHBondContact OG1-O 2.94Å
73K98Very high95.1Very high45 Ų4542.5 Ų42.520%0.19623%0.226CC..EExtended strand (participates in β ladder)trans-155.8157.8168.6-163.8158172.9-171.70109.9T71 M75 S91 S125 F126 D179T71-K73 PolarHBondContact O-N 2.82Å; K73-M75 HydrophobicContact CG-CG 4.4Å; K73-S91 PolarHBondContact N-OG 2.61Å; K73-S91 PolarHBondContact O-N 2.99Å; K73-S91 VanDerWaalsContact O-N 3.08Å; K73-S91 PolarHBondContact O-OG 3.38Å; K73-S125 WeakPolarHBondContact CD-OG 3.45Å; K73-S125 PolarHBondContact NZ-OG 2.72Å; K73-F126 HydrophobicContact CB-CD1 3.78Å; K73-F126 HydrophobicContact CB-CE1 3.77Å; K73-F126 WeakPolarHBondContact CD-O 3.32Å; K73-F126 WeakPolarHBondContact CE-O 3.46Å; K73-F126 HydrophobicContact CG-CD1 4.26Å; K73-F126 HydrophobicContact CG-CE1 4.11Å; K73-F126 PolarHBondContact NZ-O 2.88Å; K73-F126 WeakPolarHBondContact O-CE1 3.47Å; K73-D179 IonicContact NZ-OD1 3.62Å; K73-D179 PolarHBondContact NZ-OD1 3.37Å
74I98.5Very high94.8Very high1 Ų142.3 Ų42.31%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-134.6137.7173.8-62.1-176.7000107.1A21 N23 A35 V47 T71 L88 A89 T90A21-I74 HydrophobicContact CB-CD1 4.28Å; A21-I74 HydrophobicContact CB-CG1 4.03Å; N23-I74 HydrophobicContact CB-CG2 4.48Å; N23-I74 WeakPolarHBondContact CB-O 3.05Å; A35-I74 HydrophobicContact CB-CG2 3.77Å; V47-I74 HydrophobicContact CG1-CD1 4.12Å; V47-I74 HydrophobicContact CG2-CD1 4.19Å; T71-I74 HydrophobicContact CG2-CD1 4.08Å; T71-I74 HydrophobicContact CG2-CG1 4.06Å; T71-I74 WeakPolarHBondContact OG1-CD1 3.41Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.48Å; I74-L88 HydrophobicContact CG2-CD1 3.63Å; I74-L88 HydrophobicContact CG2-CD2 4.43Å; I74-L88 HydrophobicContact CG2-CG 4.19Å; I74-A89 WeakPolarHBondContact CA-O 3.37Å; I74-T90 HydrophobicContact CG1-CG2 4.06Å; I74-T90 HydrophobicContact CG2-CG2 4.4Å
75M98.5Very high94.5Very high24 Ų2440.7 Ų40.712%0.11821%0.213CC..EExtended strand (participates in β ladder)trans-148139.6173.4-64.1-177.764.500110.7K73 A89 F126 D127 W128K73-M75 HydrophobicContact CG-CG 4.4Å; M75-A89 PolarHBondContact N-O 3.09Å; M75-A89 PolarHBondContact O-N 2.78Å; M75-F126 HydrophobicContact CB-CE2 3.83Å; M75-F126 HydrophobicContact CB-CZ 3.7Å; M75-F126 HydrophobicContact CG-CE2 3.99Å; M75-F126 HydrophobicContact CG-CZ 3.82Å; M75-F126 HydrophobicContact SD-CD2 4.38Å; M75-F126 HydrophobicContact SD-CE2 3.96Å; M75-F126 HydrophobicContact SD-CZ 4.32Å; M75-D127 VanDerWaalsContact CE-OD1 3.3Å; M75-D127 WeakPolarHBondContact CE-OD1 3.44Å; M75-W128 HydrophobicContact CE-CB 4.14Å
76W98.1Very high94.3Very high4 Ų440.2 Ų40.22%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-76.5153.4166.6-66.585.8000110.2N23 R33 A35 L49 D86 L88 V100N23-W76 PolarHBondContact O-NE1 2.95Å; N23-W76 PolarHBondContact OD1-N 2.77Å; R33-W76 HydrophobicContact CG-CZ2 4.19Å; A35-W76 HydrophobicContact CB-CZ2 4.02Å; L49-W76 HydrophobicContact CD1-CH2 4.15Å; L49-W76 HydrophobicContact CD2-CH2 4.16Å; L49-W76 HydrophobicContact CD2-CZ2 3.94Å; W76-D86 VanDerWaalsContact CZ3-OD1 3.31Å; W76-D86 WeakPolarHBondContact CZ3-OD1 3.28Å; W76-L88 HydrophobicContact CD2-CD1 3.65Å; W76-L88 HydrophobicContact CE3-CB 4.38Å; W76-L88 HydrophobicContact CE3-CD1 4.14Å; W76-L88 HydrophobicContact CG-CD1 3.88Å; W76-L88 HydrophobicContact CZ2-CD1 4.16Å; W76-L88 HydrophobicContact CZ3-CB 4.47Å; W76-V100 HydrophobicContact CH2-CB 4.29Å; W76-V100 HydrophobicContact CH2-CG1 4.11Å; W76-V100 HydrophobicContact CH2-CG2 3.93Å; W76-V100 HydrophobicContact CZ3-CB 4.01Å; W76-V100 HydrophobicContact CZ3-CG1 4.26Å; W76-V100 HydrophobicContact CZ3-CG2 3.75Å
77I96.7Very high94.2Very high2 Ų235 Ų351%0.0118%0.183CC..  trans-52.2133.1168.2-175169.5000109.4V26 D79 Y84 L87 W128 P133V26-I77 WeakPolarHBondContact CG2-O 3.49Å; I77-D79 HydrophobicContact CG1-CB 4.24Å; I77-D79 HydrophobicContact CG2-CB 4.13Å; I77-D79 PolarHBondContact O-N 2.78Å; I77-Y84 HydrophobicContact CD1-CD1 4.13Å; I77-Y84 HydrophobicContact CD1-CD2 4.39Å; I77-Y84 HydrophobicContact CD1-CG 3.79Å; I77-L87 HydrophobicContact CB-CB 4.1Å; I77-L87 HydrophobicContact CD1-CD1 4.24Å; I77-L87 HydrophobicContact CG2-CB 4.14Å; I77-L87 WeakPolarHBondContact CG2-O 3.22Å; I77-L87 PolarHBondContact N-O 2.95Å; I77-W128 HydrophobicContact CB-CE3 4.41Å; I77-W128 HydrophobicContact CB-CH2 3.71Å; I77-W128 HydrophobicContact CB-CZ2 3.87Å; I77-W128 HydrophobicContact CB-CZ3 3.97Å; I77-W128 HydrophobicContact CD1-CZ2 4.12Å; I77-W128 HydrophobicContact CG1-CH2 4.18Å; I77-W128 HydrophobicContact CG1-CZ2 3.8Å; I77-P133 HydrophobicContact CD1-CB 4.21Å; I77-P133 HydrophobicContact CG1-CB 4.16Å
78P95.3Very high94.3Very high21 Ų2134.9 Ų34.914%0.13618%0.183CC..  trans-74.143.8-177.729.3-35.3000113.1T80 W128 N129 E130 P133P78-T80 PolarHBondContact O-N 3.33Å; P78-W128 VanDerWaalsContact CD-CG 3.45Å; P78-W128 HydrophobicContact CG-CB 4.32Å; P78-W128 HydrophobicContact CG-CG 4.06Å; P78-N129 WeakPolarHBondContact CG-O 3.12Å; P78-E130 HydrophobicContact CB-CB 4.35Å; P78-E130 HydrophobicContact CB-CG 4.07Å; P78-P133 HydrophobicContact CG-CB 4.48Å
79D92.7Very high94.5Very high7 Ų733.8 Ų33.84%0.03718%0.176CC..  trans-93.185.9-178.2-179.919.6000112.1I77 K81 G82 V83 Y84I77-D79 HydrophobicContact CG1-CB 4.24Å; I77-D79 HydrophobicContact CG2-CB 4.13Å; I77-D79 PolarHBondContact O-N 2.78Å; D79-K81 PolarHBondContact O-N 2.76Å; D79-K81 PolarHBondContact OD1-N 2.96Å; D79-K81 VanDerWaalsContact OD1-N 3.08Å; D79-G82 VanDerWaalsContact CG-N 3.27Å; D79-G82 PolarHBondContact OD1-N 2.89Å; D79-G82 WeakPolarHBondContact OD2-CA 3.47Å; D79-G82 PolarHBondContact OD2-N 2.85Å; D79-V83 PolarHBondContact OD1-N 3.43Å; D79-V83 PolarHBondContact OD2-N 3.11Å; D79-Y84 HydrophobicContact CB-CD2 4Å; D79-Y84 WeakPolarHBondContact OD2-CB 3.42Å; D79-Y84 PolarHBondContact OD2-N 3.11Å
80T90.9Very high94.7Very high87 Ų8728.7 Ų28.753%0.53416%0.156SC..THydrogen-bonded Turntrans-71.4-7.2176.655.20000114P28 P78P28-T80 WeakPolarHBondContact CD-O 3.38Å; P28-T80 WeakPolarHBondContact CG-O 3.46Å; P78-T80 PolarHBondContact O-N 3.33Å
81K90.3Very high94.7Very high172 Ų17227.4 Ų27.475%0.74815%0.148SC*.THydrogen-bonded Turntrans-107.7-11.3-179.3-64.7-178.2-178.3174.90113.1D79 V83D79-K81 PolarHBondContact O-N 2.76Å; D79-K81 PolarHBondContact OD1-N 2.96Å; D79-K81 VanDerWaalsContact OD1-N 3.08Å; K81-V83 VanDerWaalsContact C-N 3.31Å; K81-V83 HydrophobicContact CB-CG1 3.92Å; K81-V83 HydrophobicContact CB-CG2 4.48Å; K81-V83 PolarHBondContact O-N 2.91Å
82G88.1Confident94.6Very high19 Ų1927.6 Ų27.620%0.19615%0.149CC..SBendtrans66.131.2-177.500000113.3D79D79-G82 VanDerWaalsContact CG-N 3.27Å; D79-G82 PolarHBondContact OD1-N 2.89Å; D79-G82 WeakPolarHBondContact OD2-CA 3.47Å; D79-G82 PolarHBondContact OD2-N 2.85Å
83V88.6Confident94.4Very high84 Ų8427.2 Ų27.251%0.50915%0.146SC..  trans-91.7-16.5180-61.20000113.6D79 K81D79-V83 PolarHBondContact OD1-N 3.43Å; D79-V83 PolarHBondContact OD2-N 3.11Å; K81-V83 VanDerWaalsContact C-N 3.31Å; K81-V83 HydrophobicContact CB-CG1 3.92Å; K81-V83 HydrophobicContact CB-CG2 4.48Å; K81-V83 PolarHBondContact O-N 2.91Å
84Y88.9Confident94.3Very high36 Ų3627 Ų2714%0.14115%0.145CC..SBendtrans-97.5161.6175.2-69-91000110.5I77 D79 P133 T152 Q154I77-Y84 HydrophobicContact CD1-CD1 4.13Å; I77-Y84 HydrophobicContact CD1-CD2 4.39Å; I77-Y84 HydrophobicContact CD1-CG 3.79Å; D79-Y84 HydrophobicContact CB-CD2 4Å; D79-Y84 WeakPolarHBondContact OD2-CB 3.42Å; D79-Y84 PolarHBondContact OD2-N 3.11Å; Y84-P133 HydrophobicContact CE2-CB 4.26Å; Y84-P133 HydrophobicContact CE2-CG 4Å; Y84-T152 WeakPolarHBondContact CD1-OG1 3.34Å; Y84-T152 VanDerWaalsContact CE1-OG1 3.24Å; Y84-T152 WeakPolarHBondContact CE1-OG1 3.45Å; Y84-Q154 HydrophobicContact CE1-CG 4.18Å; Y84-Q154 PolarHBondContact OH-NE2 2.84Å; Y84-Q154 VanDerWaalsContact OH-NE2 3.15Å
85P90.4Very high94.2Very high28 Ų2827 Ų2718%0.18214%0.144CC..  trans-50.3148.4161.2-28.738.3000112.4L87 R99P85-L87 HydrophobicContact CB-CD2 3.92Å; P85-L87 HydrophobicContact CB-CG 4.03Å; P85-L87 PolarHBondContact O-N 2.83Å; P85-R99 VanDerWaalsContact CG-NH1 3.29Å
86D93.4Very high94.2Very high11 Ų1126.6 Ų26.66%0.05914%0.142CC..  trans-73.795.2175-159.510000109.2R27 R33 W76 V100R27-D86 VanDerWaalsContact CD-OD1 3.28Å; R27-D86 WeakPolarHBondContact CD-OD1 3.37Å; R27-D86 IonicContact NH1-OD2 3.27Å; R33-D86 IonicContact CZ-OD1 3.23Å; R33-D86 IonicContact CZ-OD2 2.74Å; R33-D86 IonicContact NH1-OD2 3.23Å; R33-D86 PolarHBondContact NH1-OD2 3.16Å; R33-D86 VanDerWaalsContact NH2-CG 3.26Å; R33-D86 IonicContact NH2-OD1 2.91Å; R33-D86 PolarHBondContact NH2-OD1 3.35Å; R33-D86 IonicContact NH2-OD2 3.02Å; R33-D86 PolarHBondContact NH2-OD2 2.74Å; W76-D86 VanDerWaalsContact CZ3-OD1 3.31Å; W76-D86 WeakPolarHBondContact CZ3-OD1 3.28Å; D86-V100 WeakPolarHBondContact CB-O 3.45Å; D86-V100 PolarHBondContact O-N 2.92Å
87L96.1Very high94.2Very high0 Ų026.4 Ų26.40%014%0.141CC..EExtended strand (participates in β ladder)trans-107.7142-176.4-56.9179.9000110.9I77 P85 I97 W98 R99 W128 T152 V162I77-L87 HydrophobicContact CB-CB 4.1Å; I77-L87 HydrophobicContact CD1-CD1 4.24Å; I77-L87 HydrophobicContact CG2-CB 4.14Å; I77-L87 WeakPolarHBondContact CG2-O 3.22Å; I77-L87 PolarHBondContact N-O 2.95Å; P85-L87 HydrophobicContact CB-CD2 3.92Å; P85-L87 HydrophobicContact CB-CG 4.03Å; P85-L87 PolarHBondContact O-N 2.83Å; L87-I97 HydrophobicContact CB-CG2 4.16Å; L87-I97 HydrophobicContact CD1-CG2 4.03Å; L87-I97 HydrophobicContact CD2-CG2 4.21Å; L87-I97 HydrophobicContact CG-CG2 4.35Å; L87-W98 CarbonylContact C-O 3.49Å; L87-W98 VanDerWaalsContact CA-O 3.27Å; L87-W98 WeakPolarHBondContact CA-O 3.17Å; L87-R99 HydrophobicContact CD2-CB 4.06Å; L87-R99 HydrophobicContact CD2-CG 4.45Å; L87-W128 HydrophobicContact CB-CH2 3.82Å; L87-W128 HydrophobicContact CD1-CH2 4.42Å; L87-T152 HydrophobicContact CD1-CG2 4.07Å; L87-V162 HydrophobicContact CD1-CG2 3.93Å; L87-V162 HydrophobicContact CD2-CG2 4.06Å
88L98.1Very high94.2Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-121.4131.5172.4-176.274.4000108.1A35 V47 L49 F65 I74 W76 T90 W98 V100A35-L88 HydrophobicContact CB-CD1 3.74Å; A35-L88 HydrophobicContact CB-CD2 4.01Å; V47-L88 HydrophobicContact CG1-CD2 4.07Å; L49-L88 HydrophobicContact CD2-CD2 4.02Å; F65-L88 HydrophobicContact CE1-CD2 4.48Å; F65-L88 HydrophobicContact CZ-CD2 4Å; I74-L88 HydrophobicContact CG2-CD1 3.63Å; I74-L88 HydrophobicContact CG2-CD2 4.43Å; I74-L88 HydrophobicContact CG2-CG 4.19Å; W76-L88 HydrophobicContact CD2-CD1 3.65Å; W76-L88 HydrophobicContact CE3-CB 4.38Å; W76-L88 HydrophobicContact CE3-CD1 4.14Å; W76-L88 HydrophobicContact CG-CD1 3.88Å; W76-L88 HydrophobicContact CZ2-CD1 4.16Å; W76-L88 HydrophobicContact CZ3-CB 4.47Å; L88-T90 HydrophobicContact CD2-CG2 4.41Å; L88-T90 HydrophobicContact CG-CG2 4.44Å; L88-W98 HydrophobicContact CB-CB 4.33Å; L88-W98 PolarHBondContact N-O 2.88Å; L88-W98 VanDerWaalsContact O-CD1 3.31Å; L88-W98 PolarHBondContact O-N 2.69Å; L88-V100 HydrophobicContact CB-CG2 4.04Å
89A98.5Very high94.2Very high0 Ų028.9 Ų28.90%015%0.147CC..EExtended strand (participates in β ladder)trans-105.8139.5173.600000110.2I74 M75 L95 R96 I97 F126 W128 L136I74-A89 WeakPolarHBondContact CA-O 3.37Å; M75-A89 PolarHBondContact N-O 3.09Å; M75-A89 PolarHBondContact O-N 2.78Å; A89-L95 HydrophobicContact CB-CD1 4.31Å; A89-R96 CarbonylContact C-O 3.57Å; A89-R96 VanDerWaalsContact CA-O 3.26Å; A89-R96 WeakPolarHBondContact CA-O 3.26Å; A89-I97 HydrophobicContact CB-CD1 3.73Å; A89-F126 HydrophobicContact CB-CE2 3.48Å; A89-F126 VanDerWaalsContact CB-CE2 3.48Å; A89-F126 HydrophobicContact CB-CZ 3.47Å; A89-F126 VanDerWaalsContact CB-CZ 3.47Å; A89-F126 WeakPolarHBondContact O-CZ 3.5Å; A89-W128 HydrophobicContact CB-CE3 3.7Å; A89-W128 HydrophobicContact CB-CH2 4.28Å; A89-W128 HydrophobicContact CB-CZ3 3.41Å; A89-W128 VanDerWaalsContact CB-CZ3 3.41Å; A89-L136 HydrophobicContact CB-CD2 4.03Å
90T98.5Very high94.3Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-134.8140.1174.869.20000110.2V47 H67 T71 I74 L88 R96 W98V47-T90 HydrophobicContact CG2-CG2 4.28Å; H67-T90 PolarHBondContact CD2-OG1 2.99Å; H67-T90 PolarHBondContact NE2-OG1 3.43Å; T71-T90 HydrophobicContact CG2-CG2 4.27Å; I74-T90 HydrophobicContact CG1-CG2 4.06Å; I74-T90 HydrophobicContact CG2-CG2 4.4Å; L88-T90 HydrophobicContact CD2-CG2 4.41Å; L88-T90 HydrophobicContact CG-CG2 4.44Å; T90-R96 PolarHBondContact N-O 2.9Å; T90-R96 PolarHBondContact O-N 2.8Å; T90-W98 PolarHBondContact OG1-NE1 2.91Å
91S97.3Very high94.3Very high0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-109.6155.5174.158.30000112T71 T72 K73 F126T71-S91 CarbonylContact C-O 3.53Å; T71-S91 WeakPolarHBondContact CA-O 3.44Å; T72-S91 PolarHBondContact N-O 3.26Å; T72-S91 WeakPolarHBondContact OG1-CB 3.46Å; T72-S91 PolarHBondContact OG1-OG 2.87Å; K73-S91 PolarHBondContact N-OG 2.61Å; K73-S91 PolarHBondContact O-N 2.99Å; K73-S91 VanDerWaalsContact O-N 3.08Å; K73-S91 PolarHBondContact O-OG 3.38Å; S91-F126 WeakPolarHBondContact OG-CD1 3.44Å
92G94.4Very high94.1Very high4 Ų425.5 Ų25.54%0.04114%0.138CC..SBendtrans-174.8-118.117700000108Y94 L123G92-Y94 VanDerWaalsContact C-N 3.32Å; G92-Y94 PolarHBondContact N-O 2.86Å; G92-L123 WeakPolarHBondContact O-CB 3.24Å; G92-L123 PolarHBondContact O-N 3.41Å
93D92.1Very high94Very high26 Ų2630.7 Ų30.714%0.13917%0.166CC..SBendtrans-61.2-38.4163.957-26.5000113Y69 R96Y69-D93 HydrophobicContact CD2-CB 3.87Å; Y69-D93 HydrophobicContact CE2-CB 3.85Å; D93-R96 VanDerWaalsContact CG-NH2 3.29Å; D93-R96 IonicContact OD1-CZ 3.93Å; D93-R96 VanDerWaalsContact OD1-CZ 3.23Å; D93-R96 IonicContact OD1-NH1 2.75Å; D93-R96 PolarHBondContact OD1-NH1 3.03Å; D93-R96 IonicContact OD1-NH2 3.32Å; D93-R96 PolarHBondContact OD1-NH2 3.01Å; D93-R96 IonicContact OD2-CZ 3.88Å; D93-R96 IonicContact OD2-NH2 2.91Å; D93-R96 PolarHBondContact OD2-NH2 2.93Å
94Y94.9Very high94.2Very high42 Ų4231.4 Ų31.417%0.16516%0.164CC..SBendtrans-135.7162.2178.1-60.1-58.2000110.9G92 R96 L110 N112 C120G92-Y94 VanDerWaalsContact C-N 3.32Å; G92-Y94 PolarHBondContact N-O 2.86Å; Y94-R96 PolarHBondContact O-NH1 2.81Å; Y94-L110 HydrophobicContact CD2-CD1 4.02Å; Y94-L110 HydrophobicContact CD2-CD2 4.37Å; Y94-L110 HydrophobicContact CG-CD1 4.08Å; Y94-N112 HydrophobicContact CD1-CB 3.77Å; Y94-N112 HydrophobicContact CE1-CB 3.89Å; Y94-N112 WeakPolarHBondContact CE1-ND2 3.43Å; Y94-N112 WeakPolarHBondContact CE1-OD1 3.48Å; Y94-N112 HydrophobicContact CG-CB 4.39Å; Y94-C120 HydrophobicContact CE1-CB 3.67Å
95L97Very high94.5Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-84.9123.7168.7176.665.2000108.5A89 L111 L123 F126 L136 T138 W148A89-L95 HydrophobicContact CB-CD1 4.31Å; L95-L111 HydrophobicContact CB-CB 4.05Å; L95-L111 HydrophobicContact CB-CD1 4.46Å; L95-L111 HydrophobicContact CD2-CB 4.42Å; L95-L111 HydrophobicContact CD2-CD1 3.43Å; L95-L111 VanDerWaalsContact CD2-CD1 3.43Å; L95-L111 HydrophobicContact CG-CB 4.37Å; L95-L111 HydrophobicContact CG-CD1 3.89Å; L95-L111 WeakPolarHBondContact O-CB 3.38Å; L95-L111 PolarHBondContact O-N 3.17Å; L95-L123 HydrophobicContact CB-CD1 3.74Å; L95-F126 HydrophobicContact CD1-CB 4.43Å; L95-F126 HydrophobicContact CD1-CD1 4.13Å; L95-F126 HydrophobicContact CD1-CD2 4.08Å; L95-F126 HydrophobicContact CD1-CE1 4.37Å; L95-F126 HydrophobicContact CD1-CE2 4.35Å; L95-F126 HydrophobicContact CD1-CG 3.96Å; L95-F126 HydrophobicContact CD1-CZ 4.48Å; L95-L136 HydrophobicContact CD2-CB 4.18Å; L95-L136 HydrophobicContact CD2-CD2 4.13Å; L95-T138 HydrophobicContact CB-CG2 4.01Å; L95-T138 HydrophobicContact CD1-CG2 4.47Å; L95-T138 HydrophobicContact CD2-CG2 3.51Å; L95-T138 HydrophobicContact CG-CG2 4.2Å; L95-W148 HydrophobicContact CD2-CG 4.32Å
96R97.4Very high94.7Very high16 Ų1634 Ų346%0.0617%0.172CC..EExtended strand (participates in β ladder)trans-116.2135.4-179.2-71.2176.7-176.377.40.2110A89 T90 D93 Y94 W98 L107 L110A89-R96 CarbonylContact C-O 3.57Å; A89-R96 VanDerWaalsContact CA-O 3.26Å; A89-R96 WeakPolarHBondContact CA-O 3.26Å; T90-R96 PolarHBondContact N-O 2.9Å; T90-R96 PolarHBondContact O-N 2.8Å; D93-R96 VanDerWaalsContact CG-NH2 3.29Å; D93-R96 IonicContact OD1-CZ 3.93Å; D93-R96 VanDerWaalsContact OD1-CZ 3.23Å; D93-R96 IonicContact OD1-NH1 2.75Å; D93-R96 PolarHBondContact OD1-NH1 3.03Å; D93-R96 IonicContact OD1-NH2 3.32Å; D93-R96 PolarHBondContact OD1-NH2 3.01Å; D93-R96 IonicContact OD2-CZ 3.88Å; D93-R96 IonicContact OD2-NH2 2.91Å; D93-R96 PolarHBondContact OD2-NH2 2.93Å; Y94-R96 PolarHBondContact O-NH1 2.81Å; R96-W98 HydrophobicContact CB-CZ2 4.04Å; R96-W98 VanDerWaalsContact CD-CZ2 3.49Å; R96-W98 HydrophobicContact CG-CZ2 4.36Å; R96-L107 HydrophobicContact CB-CD1 3.79Å; R96-L107 HydrophobicContact CG-CD1 3.93Å; R96-L110 HydrophobicContact CG-CD1 3.47Å; R96-L110 VanDerWaalsContact CG-CD1 3.47Å
97I97.6Very high94.8Very high0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-109122.4171.3-49.5-58.7000108L87 A89 E108 C109 L111 W128 L136 L150 V162L87-I97 HydrophobicContact CB-CG2 4.16Å; L87-I97 HydrophobicContact CD1-CG2 4.03Å; L87-I97 HydrophobicContact CD2-CG2 4.21Å; L87-I97 HydrophobicContact CG-CG2 4.35Å; A89-I97 HydrophobicContact CB-CD1 3.73Å; I97-E108 PolarHBondContact O-N 3.11Å; I97-C109 HydrophobicContact CB-CB 3.96Å; I97-C109 HydrophobicContact CG1-CB 4.16Å; I97-C109 PolarHBondContact N-O 2.87Å; I97-C109 PolarHBondContact O-N 3.13Å; I97-C109 VanDerWaalsContact O-N 3.1Å; I97-L111 HydrophobicContact CG1-CD1 4.37Å; I97-W128 HydrophobicContact CD1-CH2 4.3Å; I97-L136 HydrophobicContact CD1-CD2 4.19Å; I97-L150 HydrophobicContact CD1-CD1 4.18Å; I97-L150 HydrophobicContact CG1-CD1 4.23Å; I97-L150 HydrophobicContact CG1-CD2 4.26Å; I97-V162 HydrophobicContact CG2-CG1 4.46Å
98W97.3Very high94.6Very high22 Ų2238.4 Ų38.48%0.08320%0.195CC..EExtended strand (participates in β ladder)trans-109.9137.2179.8-49.486000108.8F65 H67 L87 L88 T90 R96 T105 R106 L107F65-W98 HydrophobicContact CD2-CD2 4.24Å; F65-W98 AromaticContact CD2-CE3 3.9Å; F65-W98 HydrophobicContact CD2-CE3 3.9Å; F65-W98 AromaticContact CD2-CH2 3.91Å; F65-W98 HydrophobicContact CD2-CH2 3.91Å; F65-W98 HydrophobicContact CD2-CZ2 4.26Å; F65-W98 AromaticContact CD2-CZ3 3.72Å; F65-W98 HydrophobicContact CD2-CZ3 3.72Å; F65-W98 AromaticContact CE2-CD2 3.56Å; F65-W98 HydrophobicContact CE2-CD2 3.56Å; F65-W98 AromaticContact CE2-CE2 3.63Å; F65-W98 AromaticContact CE2-CE3 3.69Å; F65-W98 HydrophobicContact CE2-CE3 3.69Å; F65-W98 HydrophobicContact CE2-CG 4.12Å; F65-W98 AromaticContact CE2-CH2 3.95Å; F65-W98 HydrophobicContact CE2-CH2 3.95Å; F65-W98 AromaticContact CE2-CZ2 3.84Å; F65-W98 HydrophobicContact CE2-CZ2 3.84Å; F65-W98 AromaticContact CE2-CZ3 3.88Å; F65-W98 HydrophobicContact CE2-CZ3 3.88Å; F65-W98 HydrophobicContact CZ-CD2 4.19Å; F65-W98 HydrophobicContact CZ-CE3 4.49Å; F65-W98 HydrophobicContact CZ-CG 4.29Å; H67-W98 AromaticContact CD2-CZ2 3.86Å; L87-W98 CarbonylContact C-O 3.49Å; L87-W98 VanDerWaalsContact CA-O 3.27Å; L87-W98 WeakPolarHBondContact CA-O 3.17Å; L88-W98 HydrophobicContact CB-CB 4.33Å; L88-W98 PolarHBondContact N-O 2.88Å; L88-W98 VanDerWaalsContact O-CD1 3.31Å; L88-W98 PolarHBondContact O-N 2.69Å; T90-W98 PolarHBondContact OG1-NE1 2.91Å; R96-W98 HydrophobicContact CB-CZ2 4.04Å; R96-W98 VanDerWaalsContact CD-CZ2 3.49Å; R96-W98 HydrophobicContact CG-CZ2 4.36Å; W98-T105 HydrophobicContact CB-CG2 3.92Å; W98-T105 HydrophobicContact CE3-CG2 4.38Å; W98-R106 CarbonylContact C-O 3.57Å; W98-R106 VanDerWaalsContact CA-O 3.29Å; W98-R106 WeakPolarHBondContact CA-O 3.4Å; W98-L107 HydrophobicContact CD2-CD1 4.09Å; W98-L107 HydrophobicContact CE3-CB 3.87Å; W98-L107 HydrophobicContact CE3-CD1 4.11Å; W98-L107 HydrophobicContact CH2-CB 4.46Å; W98-L107 HydrophobicContact CH2-CD1 4.22Å; W98-L107 HydrophobicContact CZ2-CD1 4.18Å; W98-L107 HydrophobicContact CZ3-CB 3.77Å; W98-L107 HydrophobicContact CZ3-CD1 4.18Å
99R95.3Very high94.4Very high52 Ų5239.1 Ų39.120%0.19620%0.2CC..EExtended strand (participates in β ladder)trans-92124.8165.3-178.6180-52.7-103.5-4.9108.7P85 L87 T105 R106 E108P85-R99 VanDerWaalsContact CG-NH1 3.29Å; L87-R99 HydrophobicContact CD2-CB 4.06Å; L87-R99 HydrophobicContact CD2-CG 4.45Å; R99-T105 WeakPolarHBondContact O-CA 3.3Å; R99-R106 HydrophobicContact CB-CG 4.21Å; R99-R106 PolarHBondContact N-O 3.23Å; R99-R106 PolarHBondContact O-N 3.47Å; R99-E108 HydrophobicContact CB-CG 3.37Å; R99-E108 WeakPolarHBondContact CD-OE1 3.07Å; R99-E108 IonicContact CZ-OE1 3.43Å; R99-E108 IonicContact CZ-OE2 3.69Å; R99-E108 IonicContact NE-OE1 3.65Å; R99-E108 PolarHBondContact NE-OE1 3.23Å; R99-E108 IonicContact NE-OE2 2.89Å; R99-E108 PolarHBondContact NE-OE2 3.47Å; R99-E108 IonicContact NH2-OE1 2.89Å; R99-E108 IonicContact NH2-OE2 3.85Å; R99-E108 PolarHBondContact NH2-OE2 2.83Å
100V95.3Very high94.2Very high9 Ų943 Ų436%0.05522%0.22CC..EExtended strand (participates in β ladder)trans-98.1136.2175.1-177.60000108.5L49 W76 D86 L88 T105L49-V100 HydrophobicContact CD1-CB 4.4Å; L49-V100 HydrophobicContact CD1-CG1 3.47Å; L49-V100 VanDerWaalsContact CD1-CG1 3.47Å; L49-V100 HydrophobicContact CD1-CG2 3.99Å; W76-V100 HydrophobicContact CH2-CB 4.29Å; W76-V100 HydrophobicContact CH2-CG1 4.11Å; W76-V100 HydrophobicContact CH2-CG2 3.93Å; W76-V100 HydrophobicContact CZ3-CB 4.01Å; W76-V100 HydrophobicContact CZ3-CG1 4.26Å; W76-V100 HydrophobicContact CZ3-CG2 3.75Å; D86-V100 WeakPolarHBondContact CB-O 3.45Å; D86-V100 PolarHBondContact O-N 2.92Å; L88-V100 HydrophobicContact CB-CG2 4.04Å; V100-T105 HydrophobicContact CG2-CG2 4.13Å
101S91.6Very high94Very high48 Ų4843.2 Ų43.234%0.33622%0.221SC..  trans-133.6174.5168.468.90000109T103 E104S101-T103 PolarHBondContact O-N 2.87Å; S101-T103 PolarHBondContact OG-N 2.85Å; S101-T103 PolarHBondContact OG-OG1 3.3Å; S101-E104 PolarHBondContact N-O 2.86Å; S101-E104 WeakPolarHBondContact OG-CG 3.44Å; S101-E104 PolarHBondContact OG-N 2.77Å; S101-E104 PolarHBondContact OG-O 2.8Å
102D85.8Confident93.5Very high139 Ų13945.2 Ų45.274%0.74323%0.232SC*.SBendtrans-67.8-20177.7-67.2-36.2000112.8K30K30-D102 IonicContact NZ-OD1 3.4Å; K30-D102 PolarHBondContact NZ-OD1 3.48Å; K30-D102 IonicContact NZ-OD2 2.9Å; K30-D102 PolarHBondContact NZ-OD2 3.49Å
103T86.5Confident92.7Very high128 Ų12848.2 Ų48.279%0.78525%0.247SC*.SBendtrans-107.7-34.9-176.353.30000113.9S101S101-T103 PolarHBondContact O-N 2.87Å; S101-T103 PolarHBondContact OG-N 2.85Å; S101-T103 PolarHBondContact OG-OG1 3.3Å
104E91.1Very high91.7Very high98 Ų9849.3 Ų49.346%0.45825%0.253SS..  trans-145.5153.6-175.764.5173.3-160.900112.5S101 R106S101-E104 PolarHBondContact N-O 2.86Å; S101-E104 WeakPolarHBondContact OG-CG 3.44Å; S101-E104 PolarHBondContact OG-N 2.77Å; S101-E104 PolarHBondContact OG-O 2.8Å; E104-R106 IonicContact OE1-NH1 2.71Å
105T95.6Very high90.3Very high22 Ų2256.4 Ų56.414%0.13528%0.284CS..EExtended strand (participates in β ladder)trans-116.6126.9164.3-65.20000107.4N63 F65 W98 R99 V100N63-T105 WeakPolarHBondContact ND2-CB 3.24Å; N63-T105 PolarHBondContact ND2-N 3.32Å; N63-T105 PolarHBondContact ND2-OG1 3.33Å; F65-T105 HydrophobicContact CD1-CG2 3.77Å; F65-T105 HydrophobicContact CE1-CG2 3.62Å; F65-T105 HydrophobicContact CE2-CG2 4.4Å; F65-T105 HydrophobicContact CG-CG2 4.24Å; F65-T105 HydrophobicContact CZ-CG2 3.93Å; W98-T105 HydrophobicContact CB-CG2 3.92Å; W98-T105 HydrophobicContact CE3-CG2 4.38Å; R99-T105 WeakPolarHBondContact O-CA 3.3Å; V100-T105 HydrophobicContact CG2-CG2 4.13Å
106R94.8Very high88.4Confident96 Ų9664.1 Ų64.136%0.36233%0.326SS..EExtended strand (participates in β ladder)trans-129.5144.9-177.369.5-174-165.9-175.37.6111.3W98 R99 E104 E108W98-R106 CarbonylContact C-O 3.57Å; W98-R106 VanDerWaalsContact CA-O 3.29Å; W98-R106 WeakPolarHBondContact CA-O 3.4Å; R99-R106 HydrophobicContact CB-CG 4.21Å; R99-R106 PolarHBondContact N-O 3.23Å; R99-R106 PolarHBondContact O-N 3.47Å; E104-R106 IonicContact OE1-NH1 2.71Å; R106-E108 IonicContact CZ-OE1 3.46Å; R106-E108 IonicContact NE-OE1 3.66Å; R106-E108 PolarHBondContact NE-OE1 2.95Å; R106-E108 IonicContact NH2-OE1 3.96Å; R106-E108 PolarHBondContact NH2-OE1 3.21Å; R106-E108 PolarHBondContact O-N 3.13Å
107L95.3Very high86.9Confident84 Ų8465.8 Ų65.844%0.4434%0.34SS..EExtended strand (participates in β ladder)trans-68.3118.3172.4-176.766.1000108.9R96 W98R96-L107 HydrophobicContact CB-CD1 3.79Å; R96-L107 HydrophobicContact CG-CD1 3.93Å; W98-L107 HydrophobicContact CD2-CD1 4.09Å; W98-L107 HydrophobicContact CE3-CB 3.87Å; W98-L107 HydrophobicContact CE3-CD1 4.11Å; W98-L107 HydrophobicContact CH2-CB 4.46Å; W98-L107 HydrophobicContact CH2-CD1 4.22Å; W98-L107 HydrophobicContact CZ2-CD1 4.18Å; W98-L107 HydrophobicContact CZ3-CB 3.77Å; W98-L107 HydrophobicContact CZ3-CD1 4.18Å
108E92.5Very high85.1Confident21 Ų2173.3 Ų73.310%0.09838%0.38CS..EExtended strand (participates in β ladder)trans-93.7-43.9176.3-74.9-79.1144.300111.9I97 R99 R106 V162I97-E108 PolarHBondContact O-N 3.11Å; R99-E108 HydrophobicContact CB-CG 3.37Å; R99-E108 WeakPolarHBondContact CD-OE1 3.07Å; R99-E108 IonicContact CZ-OE1 3.43Å; R99-E108 IonicContact CZ-OE2 3.69Å; R99-E108 IonicContact NE-OE1 3.65Å; R99-E108 PolarHBondContact NE-OE1 3.23Å; R99-E108 IonicContact NE-OE2 2.89Å; R99-E108 PolarHBondContact NE-OE2 3.47Å; R99-E108 IonicContact NH2-OE1 2.89Å; R99-E108 IonicContact NH2-OE2 3.85Å; R99-E108 PolarHBondContact NH2-OE2 2.83Å; R106-E108 IonicContact CZ-OE1 3.46Å; R106-E108 IonicContact NE-OE1 3.66Å; R106-E108 PolarHBondContact NE-OE1 2.95Å; R106-E108 IonicContact NH2-OE1 3.96Å; R106-E108 PolarHBondContact NH2-OE1 3.21Å; R106-E108 PolarHBondContact O-N 3.13Å; E108-V162 HydrophobicContact CB-CB 4.08Å; E108-V162 HydrophobicContact CB-CG2 4.36Å; E108-V162 HydrophobicContact CG-CG2 4.41Å; E108-V162 PolarHBondContact OE2-N 2.92Å; E108-V162 VanDerWaalsContact OE2-N 3.13Å
109C93.4Very high83.4Confident14 Ų1480.8 Ų80.810%0.09541%0.413CS..EExtended strand (participates in β ladder)trans-144.4131.7-172.6-1630000110.7I97 V162I97-C109 HydrophobicContact CB-CB 3.96Å; I97-C109 HydrophobicContact CG1-CB 4.16Å; I97-C109 PolarHBondContact N-O 2.87Å; I97-C109 PolarHBondContact O-N 3.13Å; I97-C109 VanDerWaalsContact O-N 3.1Å; C109-V162 HydrophobicContact CB-CG1 4.43Å; C109-V162 WeakPolarHBondContact CB-O 3.44Å
110L94.5Very high82.6Confident81 Ų8180.4 Ų80.442%0.42442%0.419SS..EExtended strand (participates in β ladder)trans-107113.2168.3-177.673000107.8Y94 R96 N112Y94-L110 HydrophobicContact CD2-CD1 4.02Å; Y94-L110 HydrophobicContact CD2-CD2 4.37Å; Y94-L110 HydrophobicContact CG-CD1 4.08Å; R96-L110 HydrophobicContact CG-CD1 3.47Å; R96-L110 VanDerWaalsContact CG-CD1 3.47Å; L110-N112 PolarHBondContact O-N 3.06Å
111L93.4Very high82.3Confident5 Ų581.3 Ų81.33%0.02643%0.427CS..EExtended strand (participates in β ladder)trans-91.5104.3178.5-64177.2000109.1L95 I97 W148 L150L95-L111 HydrophobicContact CB-CB 4.05Å; L95-L111 HydrophobicContact CB-CD1 4.46Å; L95-L111 HydrophobicContact CD2-CB 4.42Å; L95-L111 HydrophobicContact CD2-CD1 3.43Å; L95-L111 VanDerWaalsContact CD2-CD1 3.43Å; L95-L111 HydrophobicContact CG-CB 4.37Å; L95-L111 HydrophobicContact CG-CD1 3.89Å; L95-L111 WeakPolarHBondContact O-CB 3.38Å; L95-L111 PolarHBondContact O-N 3.17Å; I97-L111 HydrophobicContact CG1-CD1 4.37Å; L111-W148 HydrophobicContact CB-CD2 4Å; L111-W148 HydrophobicContact CB-CE3 3.77Å; L111-W148 HydrophobicContact CB-CH2 4.03Å; L111-W148 HydrophobicContact CB-CZ2 4.28Å; L111-W148 HydrophobicContact CB-CZ3 3.77Å; L111-W148 HydrophobicContact CD1-CB 3.97Å; L111-W148 HydrophobicContact CD1-CD2 4.01Å; L111-W148 HydrophobicContact CD1-CE3 4.18Å; L111-W148 HydrophobicContact CD1-CG 3.93Å; L111-W148 HydrophobicContact CD2-CE3 3.87Å; L111-W148 HydrophobicContact CD2-CZ3 4.29Å; L111-W148 HydrophobicContact CG-CD2 4.41Å; L111-W148 HydrophobicContact CG-CE3 4.15Å; L111-L150 HydrophobicContact CD1-CD2 3.94Å; L111-L150 HydrophobicContact CD2-CD2 4.21Å
112N87.6Confident82.3Confident42 Ų4281.9 Ų81.923%0.22543%0.429CS..  trans-131.1129.5179.7178.812000109.6Y94 L110 N114Y94-N112 HydrophobicContact CD1-CB 3.77Å; Y94-N112 HydrophobicContact CE1-CB 3.89Å; Y94-N112 WeakPolarHBondContact CE1-ND2 3.43Å; Y94-N112 WeakPolarHBondContact CE1-OD1 3.48Å; Y94-N112 HydrophobicContact CG-CB 4.39Å; L110-N112 PolarHBondContact O-N 3.06Å; N112-N114 PolarHBondContact ND2-O 3.44Å; N112-N114 PolarHBondContact OD1-N 2.83Å; N112-N114 PolarHBondContact OD1-O 2.88Å
113N77.1Confident82.8Confident67 Ų6776 Ų7636%0.35840%0.398SS..SBendtrans-90.7-22.1178.7-167.510.6000111.9K115 W148 V166 Q169N113-K115 PolarHBondContact O-N 3.22Å; N113-W148 HydrophobicContact CB-CH2 3.95Å; N113-V166 HydrophobicContact CB-CG2 4.15Å; N113-Q169 PolarHBondContact ND2-OE1 2.88Å
114N72.2Confident83.4Confident50 Ų5070.9 Ų70.927%0.26737%0.366SS..  trans-98.493.2-178.2-159.6-11.1000111.7N112 N116 S117 F119N112-N114 PolarHBondContact ND2-O 3.44Å; N112-N114 PolarHBondContact OD1-N 2.83Å; N112-N114 PolarHBondContact OD1-O 2.88Å; N114-N116 PolarHBondContact OD1-N 2.82Å; N114-S117 VanDerWaalsContact ND2-CB 3.3Å; N114-S117 WeakPolarHBondContact ND2-CB 3.44Å; N114-S117 PolarHBondContact ND2-OG 3.41Å; N114-S117 WeakPolarHBondContact OD1-CB 3.47Å; N114-S117 PolarHBondContact OD1-N 3.25Å; N114-F119 PolarHBondContact ND2-O 3.15Å
115K64.2Low83.7Confident190 Ų19066.2 Ų66.283%0.82634%0.344SS*.SBendtrans-84.6-10.6175.7-65.5-173.3-179.7-179.80114N113N113-K115 PolarHBondContact O-N 3.22Å
116N58.6Low83.8Confident163 Ų16365.1 Ų65.187%0.87234%0.338SS*.SBendtrans-122-2-165.5-70.5-11.3000114.6N114N114-N116 PolarHBondContact OD1-N 2.82Å
117S64.5Low84Confident51 Ų5161.1 Ų61.136%0.35732%0.324SS..  trans-134142177.5144.20000110.6N114 F119N114-S117 VanDerWaalsContact ND2-CB 3.3Å; N114-S117 WeakPolarHBondContact ND2-CB 3.44Å; N114-S117 PolarHBondContact ND2-OG 3.41Å; N114-S117 WeakPolarHBondContact OD1-CB 3.47Å; N114-S117 PolarHBondContact OD1-N 3.25Å; S117-F119 PolarHBondContact O-N 2.86Å; S117-F119 PolarHBondContact OG-N 2.78Å; S117-F119 PolarHBondContact OG-O 3.16Å
118D60.3Low84.1Confident157 Ų15757.2 Ų57.284%0.8430%0.303SS*.SBendtrans-71-10.9177.1-60.8-38.9000112.8
119F62.8Low84.4Confident179 Ų17956.2 Ų56.279%0.78530%0.299SS*.  trans-113.5126.7179.3-64.5-84.2000111.4N114 S117N114-F119 PolarHBondContact ND2-O 3.15Å; S117-F119 PolarHBondContact O-N 2.86Å; S117-F119 PolarHBondContact OG-N 2.78Å; S117-F119 PolarHBondContact OG-O 3.16Å
120C78.4Confident84.4Confident45 Ų4558.9 Ų58.930%0.30431%0.309SS..  trans-122.6140.6169.1-172.60000108.5Y94Y94-C120 HydrophobicContact CE1-CB 3.67Å
121A88.1Confident84.4Confident27 Ų2758.4 Ų58.422%0.22331%0.31CS..PPolyproline II helixtrans-64.8131.5170.700000109.1S140 I141 D142A121-S140 WeakPolarHBondContact CB-OG 3.36Å; A121-I141 HydrophobicContact CB-CG1 3.88Å; A121-D142 HydrophobicContact CB-CB 3.66Å
122P91.9Very high84.4Confident60 Ų6059.6 Ų59.639%0.3932%0.316SS..PPolyproline II helixtrans-65.1145.9179.827.4-35.8000111.3S140 I141P122-S140 PolarHBondContact O-OG 2.7Å; P122-I141 HydrophobicContact CG-CD1 3.83Å; P122-I141 HydrophobicContact CG-CG1 4.2Å
123L96.7Very high84.7Confident15 Ų1558.3 Ų58.38%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-77.7126176.3-55.4-176.7000110T72 G92 L95 T138 S139T72-L123 WeakPolarHBondContact CB-O 3.49Å; T72-L123 VanDerWaalsContact CG2-O 3.31Å; T72-L123 WeakPolarHBondContact CG2-O 3.37Å; T72-L123 PolarHBondContact OG1-O 2.94Å; G92-L123 WeakPolarHBondContact O-CB 3.24Å; G92-L123 PolarHBondContact O-N 3.41Å; L95-L123 HydrophobicContact CB-CD1 3.74Å; L123-T138 HydrophobicContact CD1-CG2 3.84Å; L123-S139 CarbonylContact C-O 3.53Å; L123-S139 VanDerWaalsContact CA-O 3.29Å; L123-S139 WeakPolarHBondContact CA-O 3.47Å
124T97.7Very high85.4Confident21 Ų2157 Ų5713%0.12930%0.303CS..EExtended strand (participates in β ladder)trans-81.8-29.5179.652.90000112.5S139 I141 V177 Y178T124-S139 PolarHBondContact N-O 3.15Å; T124-S139 VanDerWaalsContact OG1-C 3.31Å; T124-S139 WeakPolarHBondContact OG1-CB 3.27Å; T124-S139 PolarHBondContact OG1-O 2.78Å; T124-S139 PolarHBondContact OG1-OG 2.89Å; T124-I141 HydrophobicContact CG2-CG2 3.44Å; T124-I141 VanDerWaalsContact CG2-CG2 3.44Å; T124-V177 WeakPolarHBondContact CB-O 3.21Å; T124-V177 VanDerWaalsContact CG2-O 3.29Å; T124-V177 WeakPolarHBondContact CG2-O 3.31Å; T124-V177 PolarHBondContact OG1-O 3.2Å; T124-Y178 HydrophobicContact CG2-CD1 4.28Å
125S98.3Very high86.6Confident0 Ų054.9 Ų54.90%029%0.292CS..EExtended strand (participates in β ladder)trans-166.7174.2178.6-1690000110.8K73 S139 Y178 D179K73-S125 WeakPolarHBondContact CD-OG 3.45Å; K73-S125 PolarHBondContact NZ-OG 2.72Å; S125-S139 WeakPolarHBondContact CB-OG 3.29Å; S125-S139 PolarHBondContact N-OG 3.32Å; S125-S139 PolarHBondContact O-N 2.95Å; S125-S139 PolarHBondContact O-OG 3.1Å; S125-Y178 WeakPolarHBondContact CB-O 3.46Å; S125-D179 VanDerWaalsContact CB-OD1 3.22Å; S125-D179 WeakPolarHBondContact CB-OD1 3.26Å; S125-D179 PolarHBondContact OG-OD1 3.22Å
126F98.7Very high88.2Confident0 Ų045.9 Ų45.90%025%0.253CS..EExtended strand (participates in β ladder)trans-151.8165.9165.879.2-84.2000111.1K73 M75 A89 S91 L95 L136 G137 T138K73-F126 HydrophobicContact CB-CD1 3.78Å; K73-F126 HydrophobicContact CB-CE1 3.77Å; K73-F126 WeakPolarHBondContact CD-O 3.32Å; K73-F126 WeakPolarHBondContact CE-O 3.46Å; K73-F126 HydrophobicContact CG-CD1 4.26Å; K73-F126 HydrophobicContact CG-CE1 4.11Å; K73-F126 PolarHBondContact NZ-O 2.88Å; K73-F126 WeakPolarHBondContact O-CE1 3.47Å; M75-F126 HydrophobicContact CB-CE2 3.83Å; M75-F126 HydrophobicContact CB-CZ 3.7Å; M75-F126 HydrophobicContact CG-CE2 3.99Å; M75-F126 HydrophobicContact CG-CZ 3.82Å; M75-F126 HydrophobicContact SD-CD2 4.38Å; M75-F126 HydrophobicContact SD-CE2 3.96Å; M75-F126 HydrophobicContact SD-CZ 4.32Å; A89-F126 HydrophobicContact CB-CE2 3.48Å; A89-F126 VanDerWaalsContact CB-CE2 3.48Å; A89-F126 HydrophobicContact CB-CZ 3.47Å; A89-F126 VanDerWaalsContact CB-CZ 3.47Å; A89-F126 WeakPolarHBondContact O-CZ 3.5Å; S91-F126 WeakPolarHBondContact OG-CD1 3.44Å; L95-F126 HydrophobicContact CD1-CB 4.43Å; L95-F126 HydrophobicContact CD1-CD1 4.13Å; L95-F126 HydrophobicContact CD1-CD2 4.08Å; L95-F126 HydrophobicContact CD1-CE1 4.37Å; L95-F126 HydrophobicContact CD1-CE2 4.35Å; L95-F126 HydrophobicContact CD1-CG 3.96Å; L95-F126 HydrophobicContact CD1-CZ 4.48Å; F126-L136 HydrophobicContact CD2-CD2 3.97Å; F126-L136 HydrophobicContact CE2-CD2 4.01Å; F126-G137 CarbonylContact C-O 3.48Å; F126-G137 WeakPolarHBondContact CA-O 3.41Å; F126-G137 WeakPolarHBondContact CB-O 3.32Å; F126-T138 HydrophobicContact CB-CG2 3.79Å
127D98.6Very high90.1Very high12 Ų1238.1 Ų38.16%0.06421%0.211CC..EExtended strand (participates in β ladder)trans-138.2149.5169.2-168.240000110.9M75 L136 G137 I180 A181 F182M75-D127 VanDerWaalsContact CE-OD1 3.3Å; M75-D127 WeakPolarHBondContact CE-OD1 3.44Å; D127-L136 WeakPolarHBondContact O-CA 3.42Å; D127-G137 PolarHBondContact N-O 3.4Å; D127-G137 PolarHBondContact O-N 3.15Å; D127-I180 WeakPolarHBondContact CB-O 3.23Å; D127-A181 HydrophobicContact CB-CB 4.45Å; D127-A181 WeakPolarHBondContact OD2-CA 3.43Å; D127-F182 HydrophobicContact CB-CD2 4.2Å; D127-F182 PolarHBondContact OD2-N 3.33Å
128W97.8Very high91.7Very high1 Ų135.7 Ų35.70%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-107.5122.7179-151.8-33000109M75 I77 P78 L87 A89 I97 E130 P133 L135 L136 L150M75-W128 HydrophobicContact CE-CB 4.14Å; I77-W128 HydrophobicContact CB-CE3 4.41Å; I77-W128 HydrophobicContact CB-CH2 3.71Å; I77-W128 HydrophobicContact CB-CZ2 3.87Å; I77-W128 HydrophobicContact CB-CZ3 3.97Å; I77-W128 HydrophobicContact CD1-CZ2 4.12Å; I77-W128 HydrophobicContact CG1-CH2 4.18Å; I77-W128 HydrophobicContact CG1-CZ2 3.8Å; P78-W128 VanDerWaalsContact CD-CG 3.45Å; P78-W128 HydrophobicContact CG-CB 4.32Å; P78-W128 HydrophobicContact CG-CG 4.06Å; L87-W128 HydrophobicContact CB-CH2 3.82Å; L87-W128 HydrophobicContact CD1-CH2 4.42Å; A89-W128 HydrophobicContact CB-CE3 3.7Å; A89-W128 HydrophobicContact CB-CH2 4.28Å; A89-W128 HydrophobicContact CB-CZ3 3.41Å; A89-W128 VanDerWaalsContact CB-CZ3 3.41Å; I97-W128 HydrophobicContact CD1-CH2 4.3Å; W128-E130 PolarHBondContact O-N 3.02Å; W128-E130 VanDerWaalsContact O-N 3.15Å; W128-P133 PolarHBondContact NE1-O 3.33Å; W128-L135 VanDerWaalsContact CD1-O 3.31Å; W128-L136 HydrophobicContact CB-CD2 4.32Å; W128-L136 HydrophobicContact CB-CG 4.38Å; W128-L136 HydrophobicContact CD2-CD1 4.24Å; W128-L136 HydrophobicContact CD2-CD2 3.62Å; W128-L136 HydrophobicContact CD2-CG 3.91Å; W128-L136 HydrophobicContact CE3-CD2 3.88Å; W128-L136 HydrophobicContact CG-CD1 4.4Å; W128-L136 HydrophobicContact CG-CD2 3.85Å; W128-L136 HydrophobicContact CG-CG 3.78Å; W128-L136 HydrophobicContact CZ2-CD1 4.09Å; W128-L136 HydrophobicContact CZ2-CD2 4.44Å; W128-L136 HydrophobicContact CZ3-CD2 4.4Å; W128-L150 HydrophobicContact CZ2-CD1 3.83Å
129N96.9Very high93.5Very high1 Ų128.2 Ų28.21%0.00515%0.154CC..  trans-64.8118.1-177.2-169.7-57.5000111.1P78 V131 D132 L135 F182 G188 R189P78-N129 WeakPolarHBondContact CG-O 3.12Å; N129-V131 VanDerWaalsContact C-N 3.28Å; N129-V131 PolarHBondContact O-N 3.01Å; N129-V131 WeakPolarHBondContact OD1-CA 3.41Å; N129-V131 WeakPolarHBondContact OD1-CB 3.5Å; N129-V131 PolarHBondContact OD1-N 2.71Å; N129-D132 WeakPolarHBondContact CB-O 3.47Å; N129-D132 CarbonylContact O-C 3.57Å; N129-D132 PolarHBondContact OD1-N 3.5Å; N129-L135 HydrophobicContact CB-CB 3.91Å; N129-L135 WeakPolarHBondContact CB-O 3.23Å; N129-L135 PolarHBondContact N-O 2.68Å; N129-F182 HydrophobicContact CB-CB 4.48Å; N129-F182 HydrophobicContact CB-CD1 4.27Å; N129-F182 HydrophobicContact CB-CD2 3.76Å; N129-F182 HydrophobicContact CB-CE1 4.47Å; N129-F182 HydrophobicContact CB-CE2 3.97Å; N129-F182 HydrophobicContact CB-CG 3.91Å; N129-F182 HydrophobicContact CB-CZ 4.32Å; N129-F182 WeakPolarHBondContact ND2-CD1 3.23Å; N129-F182 WeakPolarHBondContact ND2-CG 3.27Å; N129-G188 PolarHBondContact ND2-O 2.97Å; N129-G188 PolarHBondContact OD1-O 3.16Å; N129-R189 PolarHBondContact ND2-O 2.89Å
130E94.1Very high95.2Very high69 Ų6919.9 Ų19.932%0.32212%0.118SC..SBendtrans-71-20.3-178.5-67-179.3-176.800114.1P78 W128 R184 K231P78-E130 HydrophobicContact CB-CB 4.35Å; P78-E130 HydrophobicContact CB-CG 4.07Å; W128-E130 PolarHBondContact O-N 3.02Å; W128-E130 VanDerWaalsContact O-N 3.15Å; E130-R184 IonicContact OE2-CZ 2.87Å; E130-R184 IonicContact OE2-NH1 3.86Å; E130-R184 PolarHBondContact OE2-NH1 2.98Å; E130-K231 IonicContact OE1-NZ 3.63Å; E130-K231 PolarHBondContact OE1-NZ 2.89Å
131V94.1Very high96Very high72 Ų7221.2 Ų21.244%0.43612%0.121SC..SBendtrans-92.2-39.2-179.9-178.60000111.4N129 G187N129-V131 VanDerWaalsContact C-N 3.28Å; N129-V131 PolarHBondContact O-N 3.01Å; N129-V131 WeakPolarHBondContact OD1-CA 3.41Å; N129-V131 WeakPolarHBondContact OD1-CB 3.5Å; N129-V131 PolarHBondContact OD1-N 2.71Å; V131-G187 WeakPolarHBondContact CG1-O 3.47Å
132D93.8Very high96.4Very high30 Ų3022.9 Ų22.916%0.1613%0.127CC..  trans-122.191.3175.6-171.3-6.4000110.1N129 N134 L135 R189N129-D132 WeakPolarHBondContact CB-O 3.47Å; N129-D132 CarbonylContact O-C 3.57Å; N129-D132 PolarHBondContact OD1-N 3.5Å; D132-N134 PolarHBondContact O-N 2.77Å; D132-N134 WeakPolarHBondContact OD1-CB 3.44Å; D132-N134 PolarHBondContact OD1-N 2.89Å; D132-L135 HydrophobicContact CB-CD1 4.14Å; D132-L135 HydrophobicContact CB-CG 4.34Å; D132-L135 PolarHBondContact O-N 3.01Å; D132-R189 HydrophobicContact CB-CG 3.99Å
133P93.4Very high96.6Very high14 Ų1421.7 Ų21.79%0.09112%0.119CC..THydrogen-bonded Turntrans-61.7-4.1-178.8-24.834.9000114.9I77 P78 Y84 W128 L135I77-P133 HydrophobicContact CD1-CB 4.21Å; I77-P133 HydrophobicContact CG1-CB 4.16Å; P78-P133 HydrophobicContact CG-CB 4.48Å; Y84-P133 HydrophobicContact CE2-CB 4.26Å; Y84-P133 HydrophobicContact CE2-CG 4Å; W128-P133 PolarHBondContact NE1-O 3.33Å; P133-L135 VanDerWaalsContact C-N 3.31Å
134N93.6Very high96.6Very high40 Ų4021.7 Ų21.721%0.21412%0.119CC..THydrogen-bonded Turntrans-871.1171.1-64.6-40.4000113D132 G149 L150 T152D132-N134 PolarHBondContact O-N 2.77Å; D132-N134 WeakPolarHBondContact OD1-CB 3.44Å; D132-N134 PolarHBondContact OD1-N 2.89Å; N134-G149 CarbonylContact O-C 3.57Å; N134-G149 WeakPolarHBondContact O-CA 3.34Å; N134-L150 VanDerWaalsContact CB-O 3.26Å; N134-L150 WeakPolarHBondContact CB-O 3.24Å; N134-L150 PolarHBondContact O-N 3.04Å; N134-L150 PolarHBondContact OD1-O 3.04Å; N134-T152 WeakPolarHBondContact OD1-CG2 3.32Å; N134-T152 PolarHBondContact OD1-OG1 2.95Å
135L96.2Very high96.6Very high6 Ų620.7 Ų20.73%0.03111%0.113CC..EExtended strand (participates in β ladder)trans-116.3130.1179.6-65.4177.7000111.8W128 N129 D132 P133 W148 K167 R189W128-L135 VanDerWaalsContact CD1-O 3.31Å; N129-L135 HydrophobicContact CB-CB 3.91Å; N129-L135 WeakPolarHBondContact CB-O 3.23Å; N129-L135 PolarHBondContact N-O 2.68Å; D132-L135 HydrophobicContact CB-CD1 4.14Å; D132-L135 HydrophobicContact CB-CG 4.34Å; D132-L135 PolarHBondContact O-N 3.01Å; P133-L135 VanDerWaalsContact C-N 3.31Å; L135-W148 WeakPolarHBondContact CA-O 3.37Å; L135-K167 HydrophobicContact CD2-CD 3.73Å; L135-R189 HydrophobicContact CD1-CG 4.06Å
136L97.9Very high96.6Very high0 Ų021.1 Ų21.10%012%0.116CC..EExtended strand (participates in β ladder)trans-126.1152167.9-65.594.6000109.8A89 L95 I97 F126 D127 W128 I147 W148 L150A89-L136 HydrophobicContact CB-CD2 4.03Å; L95-L136 HydrophobicContact CD2-CB 4.18Å; L95-L136 HydrophobicContact CD2-CD2 4.13Å; I97-L136 HydrophobicContact CD1-CD2 4.19Å; F126-L136 HydrophobicContact CD2-CD2 3.97Å; F126-L136 HydrophobicContact CE2-CD2 4.01Å; D127-L136 WeakPolarHBondContact O-CA 3.42Å; W128-L136 HydrophobicContact CB-CD2 4.32Å; W128-L136 HydrophobicContact CB-CG 4.38Å; W128-L136 HydrophobicContact CD2-CD1 4.24Å; W128-L136 HydrophobicContact CD2-CD2 3.62Å; W128-L136 HydrophobicContact CD2-CG 3.91Å; W128-L136 HydrophobicContact CE3-CD2 3.88Å; W128-L136 HydrophobicContact CG-CD1 4.4Å; W128-L136 HydrophobicContact CG-CD2 3.85Å; W128-L136 HydrophobicContact CG-CG 3.78Å; W128-L136 HydrophobicContact CZ2-CD1 4.09Å; W128-L136 HydrophobicContact CZ2-CD2 4.44Å; W128-L136 HydrophobicContact CZ3-CD2 4.4Å; L136-I147 CarbonylContact O-C 3.52Å; L136-I147 WeakPolarHBondContact O-CA 3.31Å; L136-W148 HydrophobicContact CB-CB 4.45Å; L136-W148 PolarHBondContact N-O 3.06Å; L136-W148 VanDerWaalsContact N-O 3.16Å; L136-W148 PolarHBondContact O-N 2.83Å; L136-L150 HydrophobicContact CD1-CD1 3.2Å; L136-L150 HydrophobicContact CD1-CD2 4.45Å; L136-L150 HydrophobicContact CD1-CG 3.52Å
137G98.1Very high96.5Very high0 Ų021.1 Ų21.10%012%0.116CC..EExtended strand (participates in β ladder)trans-125.8135.5174.300000109.4F126 D127 T146 I180F126-G137 CarbonylContact C-O 3.48Å; F126-G137 WeakPolarHBondContact CA-O 3.41Å; F126-G137 WeakPolarHBondContact CB-O 3.32Å; D127-G137 PolarHBondContact N-O 3.4Å; D127-G137 PolarHBondContact O-N 3.15Å; G137-T146 CarbonylContact C-O 3.56Å; G137-T146 WeakPolarHBondContact CA-O 3.37Å; G137-I180 WeakPolarHBondContact O-CG2 3.29Å
138T98.5Very high96.5Very high1 Ų121 Ų211%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-120.9142.6178.256.80000110.2L95 L123 F126 C145 T146 W148L95-T138 HydrophobicContact CB-CG2 4.01Å; L95-T138 HydrophobicContact CD1-CG2 4.47Å; L95-T138 HydrophobicContact CD2-CG2 3.51Å; L95-T138 HydrophobicContact CG-CG2 4.2Å; L123-T138 HydrophobicContact CD1-CG2 3.84Å; F126-T138 HydrophobicContact CB-CG2 3.79Å; T138-C145 CarbonylContact O-C 3.47Å; T138-C145 VanDerWaalsContact O-CA 3.26Å; T138-C145 WeakPolarHBondContact O-CA 3.21Å; T138-T146 PolarHBondContact N-O 2.86Å; T138-T146 PolarHBondContact O-N 2.78Å; T138-T146 PolarHBondContact OG1-O 2.88Å; T138-W148 VanDerWaalsContact CG2-NE1 3.33Å; T138-W148 PolarHBondContact OG1-NE1 3.48Å
139S98.4Very high96.4Very high0 Ų021.2 Ų21.20%012%0.117CC..EExtended strand (participates in β ladder)trans-107.1151.7170.8570000110.7L123 T124 S125L123-S139 CarbonylContact C-O 3.53Å; L123-S139 VanDerWaalsContact CA-O 3.29Å; L123-S139 WeakPolarHBondContact CA-O 3.47Å; T124-S139 PolarHBondContact N-O 3.15Å; T124-S139 VanDerWaalsContact OG1-C 3.31Å; T124-S139 WeakPolarHBondContact OG1-CB 3.27Å; T124-S139 PolarHBondContact OG1-O 2.78Å; T124-S139 PolarHBondContact OG1-OG 2.89Å; S125-S139 WeakPolarHBondContact CB-OG 3.29Å; S125-S139 PolarHBondContact N-OG 3.32Å; S125-S139 PolarHBondContact O-N 2.95Å; S125-S139 PolarHBondContact O-OG 3.1Å
140S97.4Very high96.2Very high3 Ų321.5 Ų21.52%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-141.5157.4-175.8176.20000111.7A121 P122 D142 T143 T144 V177A121-S140 WeakPolarHBondContact CB-OG 3.36Å; P122-S140 PolarHBondContact O-OG 2.7Å; S140-D142 WeakPolarHBondContact CB-OD1 3.33Å; S140-D142 PolarHBondContact O-N 2.99Å; S140-D142 PolarHBondContact OG-N 2.92Å; S140-D142 PolarHBondContact OG-OD1 2.78Å; S140-D142 VanDerWaalsContact OG-OD1 3.09Å; S140-D142 PolarHBondContact OG-OD2 3.48Å; S140-T143 PolarHBondContact O-N 2.72Å; S140-T144 PolarHBondContact N-O 3.5Å; S140-V177 PolarHBondContact O-N 3.19Å; S140-V177 VanDerWaalsContact O-N 3.08Å
141I96.3Very high96Very high73 Ų7324 Ų2437%0.37413%0.13SC..THydrogen-bonded Turntrans-66.6-16.6172.264.6168.9000112.5A121 P122 T124 T143 E176A121-I141 HydrophobicContact CB-CG1 3.88Å; P122-I141 HydrophobicContact CG-CD1 3.83Å; P122-I141 HydrophobicContact CG-CG1 4.2Å; T124-I141 HydrophobicContact CG2-CG2 3.44Å; T124-I141 VanDerWaalsContact CG2-CG2 3.44Å; I141-T143 PolarHBondContact O-N 2.75Å; I141-E176 HydrophobicContact CB-CB 4.39Å; I141-E176 HydrophobicContact CB-CG 3.86Å; I141-E176 HydrophobicContact CG2-CG 4.24Å; I141-E176 WeakPolarHBondContact O-CG 3.06Å
142D95.4Very high95.1Very high63 Ų6320.8 Ų20.834%0.33711%0.11SC..THydrogen-bonded Turntrans-76.418176.966.117.4000114.4A121 S140 T144A121-D142 HydrophobicContact CB-CB 3.66Å; S140-D142 WeakPolarHBondContact CB-OD1 3.33Å; S140-D142 PolarHBondContact O-N 2.99Å; S140-D142 PolarHBondContact OG-N 2.92Å; S140-D142 PolarHBondContact OG-OD1 2.78Å; S140-D142 VanDerWaalsContact OG-OD1 3.09Å; S140-D142 PolarHBondContact OG-OD2 3.48Å; D142-T144 PolarHBondContact O-N 2.81Å; D142-T144 VanDerWaalsContact OD1-CB 3.28Å; D142-T144 WeakPolarHBondContact OD1-CB 3.29Å; D142-T144 WeakPolarHBondContact OD1-CG2 3.37Å; D142-T144 PolarHBondContact OD1-N 2.89Å; D142-T144 PolarHBondContact OD1-OG1 2.8Å
143T96.9Very high93.7Very high35 Ų3520.6 Ų20.622%0.21512%0.116CC..SBendtrans71.80.3-178.279.10000115.4S140 I141 A172 H173 K175 V177S140-T143 PolarHBondContact O-N 2.72Å; I141-T143 PolarHBondContact O-N 2.75Å; T143-A172 PolarHBondContact O-N 2.79Å; T143-H173 WeakPolarHBondContact CB-O 3.17Å; T143-H173 PolarHBondContact O-N 3.27Å; T143-K175 WeakPolarHBondContact CA-O 3.45Å; T143-K175 WeakPolarHBondContact CB-O 3.02Å; T143-K175 WeakPolarHBondContact CG2-O 3.35Å; T143-V177 VanDerWaalsContact C-CG2 3.47Å; T143-V177 WeakPolarHBondContact O-CG2 3.42Å
144T96.8Very high92Very high15 Ų1526.1 Ų26.19%0.09214%0.141CC..EExtended strand (participates in β ladder)trans-99.9150.9-17475.10000114.5S140 D142 Q169 L170 I171S140-T144 PolarHBondContact N-O 3.5Å; D142-T144 PolarHBondContact O-N 2.81Å; D142-T144 VanDerWaalsContact OD1-CB 3.28Å; D142-T144 WeakPolarHBondContact OD1-CB 3.29Å; D142-T144 WeakPolarHBondContact OD1-CG2 3.37Å; D142-T144 PolarHBondContact OD1-N 2.89Å; D142-T144 PolarHBondContact OD1-OG1 2.8Å; T144-Q169 HydrophobicContact CG2-CG 4.41Å; T144-Q169 PolarHBondContact OG1-NE2 2.99Å; T144-L170 CarbonylContact C-O 3.57Å; T144-L170 WeakPolarHBondContact CA-O 3.45Å; T144-L170 VanDerWaalsContact CB-O 3.26Å; T144-L170 WeakPolarHBondContact CB-O 3.21Å; T144-I171 HydrophobicContact CG2-CG1 4.37Å
145C97.8Very high90Very high0 Ų029.6 Ų29.60%016%0.163CC..EExtended strand (participates in β ladder)trans-107.9133.4157.6-74.10000109T138 Q169 L170 A172 I180 F192T138-C145 CarbonylContact O-C 3.47Å; T138-C145 VanDerWaalsContact O-CA 3.26Å; T138-C145 WeakPolarHBondContact O-CA 3.21Å; C145-Q169 WeakPolarHBondContact O-CA 3.29Å; C145-L170 HydrophobicContact CB-CG 4.44Å; C145-L170 PolarHBondContact N-O 2.79Å; C145-L170 PolarHBondContact O-N 3.03Å; C145-A172 HydrophobicContact CB-CB 4.05Å; C145-A172 VanDerWaalsContact SG-CB 3.57Å; C145-I180 HydrophobicContact CB-CD1 4.15Å; C145-F192 HydrophobicContact CB-CE2 4.31Å
146T97.5Very high87.8Confident9 Ų936.9 Ų36.96%0.05520%0.201CC..EExtended strand (participates in β ladder)trans-115.1130.1174.7-55.40000109.7G137 T138 W148 V166 Q169G137-T146 CarbonylContact C-O 3.56Å; G137-T146 WeakPolarHBondContact CA-O 3.37Å; T138-T146 PolarHBondContact N-O 2.86Å; T138-T146 PolarHBondContact O-N 2.78Å; T138-T146 PolarHBondContact OG1-O 2.88Å; T146-W148 HydrophobicContact CG2-CD2 4.08Å; T146-W148 HydrophobicContact CG2-CH2 4.25Å; T146-W148 HydrophobicContact CG2-CZ2 3.61Å; T146-V166 HydrophobicContact CG2-CG1 3.97Å; T146-V166 HydrophobicContact CG2-CG2 4.36Å; T146-Q169 HydrophobicContact CG2-CB 4.34Å; T146-Q169 WeakPolarHBondContact OG1-CG 3.44Å
147I97.8Very high85.6Confident0 Ų040.6 Ų40.60%024%0.24CC..EExtended strand (participates in β ladder)trans-104.4127.5175.9-50.3-64.1000108.3L136 K167 T168 I180 F182 F192 L206L136-I147 CarbonylContact O-C 3.52Å; L136-I147 WeakPolarHBondContact O-CA 3.31Å; I147-K167 HydrophobicContact CG2-CB 4.44Å; I147-K167 HydrophobicContact CG2-CD 4.31Å; I147-K167 WeakPolarHBondContact O-CA 3.32Å; I147-K167 WeakPolarHBondContact O-CB 3.39Å; I147-K167 PolarHBondContact O-N 3.13Å; I147-T168 HydrophobicContact CB-CG2 3.66Å; I147-T168 HydrophobicContact CG1-CG2 3.68Å; I147-T168 PolarHBondContact N-O 2.97Å; I147-T168 PolarHBondContact O-N 3.37Å; I147-I180 HydrophobicContact CD1-CD1 4.26Å; I147-F182 HydrophobicContact CD1-CZ 4.2Å; I147-F192 HydrophobicContact CD1-CD1 4.21Å; I147-F192 HydrophobicContact CD1-CE1 3.96Å; I147-F192 HydrophobicContact CD1-CZ 4.28Å; I147-F192 HydrophobicContact CG1-CE1 4.44Å; I147-L206 HydrophobicContact CB-CD2 4.5Å; I147-L206 HydrophobicContact CD1-CD2 4.17Å; I147-L206 HydrophobicContact CG1-CD2 3.72Å; I147-L206 HydrophobicContact CG2-CD1 4.28Å; I147-L206 HydrophobicContact CG2-CD2 4.34Å
148W97.3Very high83.3Confident9 Ų950 Ų503%0.03428%0.275CS..EExtended strand (participates in β ladder)trans-108.7135.2-175.5-55.590.6000109.8L95 L111 N113 L135 L136 T138 T146 H165 V166L95-W148 HydrophobicContact CD2-CG 4.32Å; L111-W148 HydrophobicContact CB-CD2 4Å; L111-W148 HydrophobicContact CB-CE3 3.77Å; L111-W148 HydrophobicContact CB-CH2 4.03Å; L111-W148 HydrophobicContact CB-CZ2 4.28Å; L111-W148 HydrophobicContact CB-CZ3 3.77Å; L111-W148 HydrophobicContact CD1-CB 3.97Å; L111-W148 HydrophobicContact CD1-CD2 4.01Å; L111-W148 HydrophobicContact CD1-CE3 4.18Å; L111-W148 HydrophobicContact CD1-CG 3.93Å; L111-W148 HydrophobicContact CD2-CE3 3.87Å; L111-W148 HydrophobicContact CD2-CZ3 4.29Å; L111-W148 HydrophobicContact CG-CD2 4.41Å; L111-W148 HydrophobicContact CG-CE3 4.15Å; N113-W148 HydrophobicContact CB-CH2 3.95Å; L135-W148 WeakPolarHBondContact CA-O 3.37Å; L136-W148 HydrophobicContact CB-CB 4.45Å; L136-W148 PolarHBondContact N-O 3.06Å; L136-W148 VanDerWaalsContact N-O 3.16Å; L136-W148 PolarHBondContact O-N 2.83Å; T138-W148 VanDerWaalsContact CG2-NE1 3.33Å; T138-W148 PolarHBondContact OG1-NE1 3.48Å; T146-W148 HydrophobicContact CG2-CD2 4.08Å; T146-W148 HydrophobicContact CG2-CH2 4.25Å; T146-W148 HydrophobicContact CG2-CZ2 3.61Å; W148-H165 WeakPolarHBondContact CA-O 3.32Å; W148-V166 HydrophobicContact CE3-CG2 3.87Å; W148-V166 HydrophobicContact CH2-CG2 3.79Å; W148-V166 HydrophobicContact CZ3-CB 4.46Å; W148-V166 HydrophobicContact CZ3-CG2 3.33Å
149G95.4Very high81.2Confident6 Ų656.3 Ų56.36%0.06231%0.313CS..EExtended strand (participates in β ladder)trans-96.5128164.700000109.6N134 G164 H165N134-G149 CarbonylContact O-C 3.57Å; N134-G149 WeakPolarHBondContact O-CA 3.34Å; G149-G164 CarbonylContact O-C 3.22Å; G149-G164 WeakPolarHBondContact O-CA 3.28Å; G149-H165 PolarHBondContact N-O 3.3Å; G149-H165 PolarHBondContact O-N 3.34Å; G149-H165 PolarHBondContact O-ND1 3.25Å
150L93.5Very high79.6Confident7 Ų761.2 Ų61.24%0.03734%0.339CS..EExtended strand (participates in β ladder)trans-104.3141.2171.9-69.5-171.6000111I97 L111 W128 N134 L136 T152 V162 S163I97-L150 HydrophobicContact CD1-CD1 4.18Å; I97-L150 HydrophobicContact CG1-CD1 4.23Å; I97-L150 HydrophobicContact CG1-CD2 4.26Å; L111-L150 HydrophobicContact CD1-CD2 3.94Å; L111-L150 HydrophobicContact CD2-CD2 4.21Å; W128-L150 HydrophobicContact CZ2-CD1 3.83Å; N134-L150 VanDerWaalsContact CB-O 3.26Å; N134-L150 WeakPolarHBondContact CB-O 3.24Å; N134-L150 PolarHBondContact O-N 3.04Å; N134-L150 PolarHBondContact OD1-O 3.04Å; L136-L150 HydrophobicContact CD1-CD1 3.2Å; L136-L150 HydrophobicContact CD1-CD2 4.45Å; L136-L150 HydrophobicContact CD1-CG 3.52Å; L150-T152 HydrophobicContact CB-CG2 3.87Å; L150-T152 HydrophobicContact CD1-CG2 4.13Å; L150-V162 HydrophobicContact CD2-CG1 4.29Å; L150-S163 WeakPolarHBondContact CA-O 3.42Å
151E89.5Confident78.6Confident122 Ų12267 Ų6757%0.5737%0.369SS*.EExtended strand (participates in β ladder)trans-103.484.2165.4-63.2178.6166.800107.7G153 S163E151-G153 PolarHBondContact O-N 3.07Å; E151-S163 PolarHBondContact N-O 2.73Å; E151-S163 PolarHBondContact O-N 2.94Å; E151-S163 PolarHBondContact OE2-OG 3.32Å
152T75.4Confident78Confident3 Ų363.7 Ų63.72%0.01835%0.353CS..  trans-71.64.6-172.953.70000114.7Y84 L87 N134 L150Y84-T152 WeakPolarHBondContact CD1-OG1 3.34Å; Y84-T152 VanDerWaalsContact CE1-OG1 3.24Å; Y84-T152 WeakPolarHBondContact CE1-OG1 3.45Å; L87-T152 HydrophobicContact CD1-CG2 4.07Å; N134-T152 WeakPolarHBondContact OD1-CG2 3.32Å; N134-T152 PolarHBondContact OD1-OG1 2.95Å; L150-T152 HydrophobicContact CB-CG2 3.87Å; L150-T152 HydrophobicContact CD1-CG2 4.13Å
153G64.5Low77.7Confident27 Ų2762.9 Ų62.928%0.27835%0.352SS..  trans61.481.9-179.800000111.7E151E151-G153 PolarHBondContact O-N 3.07Å
154Q58.1Low77.5Confident130 Ų13062.5 Ų62.561%0.60736%0.355SS*.  trans-70.8142.3176.9-75.2-169.4-15.600111.9Y84Y84-Q154 HydrophobicContact CE1-CG 4.18Å; Y84-Q154 PolarHBondContact OH-NE2 2.84Å; Y84-Q154 VanDerWaalsContact OH-NE2 3.15Å
155V51.1Low77.3Confident112 Ų11266.2 Ų66.268%0.67937%0.371SS*.SBendtrans94.2108.8177.6-168.40000114.8G157 R158V155-G157 PolarHBondContact O-N 3.5Å; V155-G157 VanDerWaalsContact O-N 3.09Å; V155-R158 PolarHBondContact O-N 2.84Å
156L49.5Very low77.2Confident159 Ų15968.8 Ų68.883%0.83239%0.387SS*.THydrogen-bonded Turntrans-39112.4162.2-78.3154.6000110.4
157G52.1Low77Confident79 Ų7972.6 Ų72.681%0.81440%0.402SS*.THydrogen-bonded Turntrans120.3-7.2175.100000116.6V155V155-G157 PolarHBondContact O-N 3.5Å; V155-G157 VanDerWaalsContact O-N 3.09Å
158R50.7Low76.9Confident198 Ų19874.4 Ų74.475%0.74741%0.413SS*.  trans-107.4127.6169.5-73.7-173.7176.7-170.4-0111.6V155 N160V155-R158 PolarHBondContact O-N 2.84Å; R158-N160 PolarHBondContact O-N 2.81Å
159V53.8Low76.8Confident132 Ų13278 Ų7880%0.843%0.431SS*.  trans-79.330.4-174.5-160.10000112.2L161V159-L161 PolarHBondContact O-N 2.81Å
160N65.6Low76.8Confident103 Ų10378.8 Ų78.855%0.55143%0.433SS*.PPolyproline II helixtrans-71.3128.3-178.6-70.8-1.9000109R158R158-N160 PolarHBondContact O-N 2.81Å
161L75.6Confident76.9Confident125 Ų12584.6 Ų84.665%0.65446%0.463SS*.PPolyproline II helixtrans-62.1143.2173.2-69.4165.3000109.4V159 S163V159-L161 PolarHBondContact O-N 2.81Å; L161-S163 PolarHBondContact O-N 2.91Å
162V84.6Confident77.3Confident4 Ų478.8 Ų78.82%0.02444%0.436CS..PPolyproline II helixtrans-67.4121.6170.7-178.70000108.1L87 I97 E108 C109 L150L87-V162 HydrophobicContact CD1-CG2 3.93Å; L87-V162 HydrophobicContact CD2-CG2 4.06Å; I97-V162 HydrophobicContact CG2-CG1 4.46Å; E108-V162 HydrophobicContact CB-CB 4.08Å; E108-V162 HydrophobicContact CB-CG2 4.36Å; E108-V162 HydrophobicContact CG-CG2 4.41Å; E108-V162 PolarHBondContact OE2-N 2.92Å; E108-V162 VanDerWaalsContact OE2-N 3.13Å; C109-V162 HydrophobicContact CB-CG1 4.43Å; C109-V162 WeakPolarHBondContact CB-O 3.44Å; L150-V162 HydrophobicContact CD2-CG1 4.29Å
163S88.6Confident78.4Confident45 Ų4578.8 Ų78.832%0.31544%0.436SS..EExtended strand (participates in β ladder)trans-107158.6171.793.10000109.3L150 E151 L161L150-S163 WeakPolarHBondContact CA-O 3.42Å; E151-S163 PolarHBondContact N-O 2.73Å; E151-S163 PolarHBondContact O-N 2.94Å; E151-S163 PolarHBondContact OE2-OG 3.32Å; L161-S163 PolarHBondContact O-N 2.91Å
164G91.8Very high79.9Confident27 Ų2782.9 Ų82.928%0.27845%0.451SS..EExtended strand (participates in β ladder)trans-150.4158.5168.300000112.8G149G149-G164 CarbonylContact O-C 3.22Å; G149-G164 WeakPolarHBondContact O-CA 3.28Å
165H92.9Very high81.8Confident94 Ų9481.7 Ų81.744%0.43544%0.444SS..EExtended strand (participates in β ladder)trans-140.6155.2-17660.3-84.5000110.3W148 G149 K167W148-H165 WeakPolarHBondContact CA-O 3.32Å; G149-H165 PolarHBondContact N-O 3.3Å; G149-H165 PolarHBondContact O-N 3.34Å; G149-H165 PolarHBondContact O-ND1 3.25Å; H165-K167 PolarHBondContact O-N 2.84Å
166V95.2Very high84Confident54 Ų5480 Ų8033%0.32743%0.429SS..EExtended strand (participates in β ladder)trans-68.6115.6169.5179.30000107.7N113 T146 W148N113-V166 HydrophobicContact CB-CG2 4.15Å; T146-V166 HydrophobicContact CG2-CG1 3.97Å; T146-V166 HydrophobicContact CG2-CG2 4.36Å; W148-V166 HydrophobicContact CE3-CG2 3.87Å; W148-V166 HydrophobicContact CH2-CG2 3.79Å; W148-V166 HydrophobicContact CZ3-CB 4.46Å; W148-V166 HydrophobicContact CZ3-CG2 3.33Å
167K94.9Very high86.3Confident89 Ų8972.5 Ų72.539%0.38739%0.389SS..EExtended strand (participates in β ladder)trans-81.1-43.5173.2-179.2176.6176.5178.40110.2L135 I147 H165L135-K167 HydrophobicContact CD2-CD 3.73Å; I147-K167 HydrophobicContact CG2-CB 4.44Å; I147-K167 HydrophobicContact CG2-CD 4.31Å; I147-K167 WeakPolarHBondContact O-CA 3.32Å; I147-K167 WeakPolarHBondContact O-CB 3.39Å; I147-K167 PolarHBondContact O-N 3.13Å; H165-K167 PolarHBondContact O-N 2.84Å
168T95Very high88.6Confident37 Ų3771 Ų7123%0.22736%0.359CS..EExtended strand (participates in β ladder)trans-161.6156.1173.9-175.30000110I147 L206 L209I147-T168 HydrophobicContact CB-CG2 3.66Å; I147-T168 HydrophobicContact CG1-CG2 3.68Å; I147-T168 PolarHBondContact N-O 2.97Å; I147-T168 PolarHBondContact O-N 3.37Å; T168-L206 HydrophobicContact CG2-CD2 4.44Å; T168-L209 HydrophobicContact CG2-CD1 3.72Å; T168-L209 WeakPolarHBondContact OG1-CD1 3.32Å
169Q95.1Very high90.8Very high85 Ų8561.7 Ų61.740%0.39733%0.325SS..EExtended strand (participates in β ladder)trans-135.2137.4169.2-178.7-177.42300107.8N113 T144 C145 T146N113-Q169 PolarHBondContact ND2-OE1 2.88Å; T144-Q169 HydrophobicContact CG2-CG 4.41Å; T144-Q169 PolarHBondContact OG1-NE2 2.99Å; C145-Q169 WeakPolarHBondContact O-CA 3.29Å; T146-Q169 HydrophobicContact CG2-CB 4.34Å; T146-Q169 WeakPolarHBondContact OG1-CG 3.44Å
170L95.6Very high93Very high22 Ų2255.4 Ų55.412%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-137.5151.7178.861130.8000111.2T144 C145 A172 F192 F204 L209T144-L170 CarbonylContact C-O 3.57Å; T144-L170 WeakPolarHBondContact CA-O 3.45Å; T144-L170 VanDerWaalsContact CB-O 3.26Å; T144-L170 WeakPolarHBondContact CB-O 3.21Å; C145-L170 HydrophobicContact CB-CG 4.44Å; C145-L170 PolarHBondContact N-O 2.79Å; C145-L170 PolarHBondContact O-N 3.03Å; L170-A172 HydrophobicContact CD1-CB 4.21Å; L170-A172 PolarHBondContact O-N 3.24Å; L170-F192 HydrophobicContact CD1-CZ 4.48Å; L170-F192 HydrophobicContact CD2-CZ 4.12Å; L170-F204 HydrophobicContact CD1-CD1 3.45Å; L170-F204 VanDerWaalsContact CD1-CD1 3.45Å; L170-F204 HydrophobicContact CD1-CE1 3.31Å; L170-F204 HydrophobicContact CD1-CG 4.36Å; L170-F204 HydrophobicContact CD1-CZ 4.16Å; L170-L209 HydrophobicContact CD2-CD2 3.99Å
171I96.1Very high94.5Very high129 Ų12950.9 Ų50.966%0.66226%0.264SS*.EExtended strand (participates in β ladder)trans-73.9110.1164.8-61.6170.9000106.3T144 H173T144-I171 HydrophobicContact CG2-CG1 4.37Å; I171-H173 WeakPolarHBondContact CG2-O 3.12Å
172A97.3Very high95.6Very high1 Ų145.5 Ų45.51%0.00824%0.235CC..  trans-88.7-41.2-174.700000111.2T143 C145 L170 V177 R202 F204T143-A172 PolarHBondContact O-N 2.79Å; C145-A172 HydrophobicContact CB-CB 4.05Å; C145-A172 VanDerWaalsContact SG-CB 3.57Å; L170-A172 HydrophobicContact CD1-CB 4.21Å; L170-A172 PolarHBondContact O-N 3.24Å; A172-V177 HydrophobicContact CB-CG2 4.12Å; A172-R202 WeakPolarHBondContact O-CD 3.17Å; A172-R202 PolarHBondContact O-NH1 2.85Å; A172-F204 HydrophobicContact CB-CE1 4.36Å; A172-F204 HydrophobicContact CB-CE2 4.38Å; A172-F204 HydrophobicContact CB-CZ 3.77Å
173H97.8Very high96.1Very high2 Ų245.3 Ų45.31%0.00923%0.234CC..  trans-127.4169.1-178.3-69-99.6000110.5T143 I171 K175 V177 S194 D198 S200 R202T143-H173 WeakPolarHBondContact CB-O 3.17Å; T143-H173 PolarHBondContact O-N 3.27Å; I171-H173 WeakPolarHBondContact CG2-O 3.12Å; H173-K175 VanDerWaalsContact C-N 3.34Å; H173-K175 WeakPolarHBondContact CB-O 3.4Å; H173-V177 HydrophobicContact CB-CG2 4.19Å; H173-S194 PolarHBondContact CD2-OG 2.9Å; H173-S194 PolarHBondContact NE2-O 3.13Å; H173-S194 PolarHBondContact NE2-OG 3.02Å; H173-D198 IonicContact CE1-OD1 3.97Å; H173-D198 IonicContact CE1-OD2 3.81Å; H173-D198 IonicContact CG-OD2 3.6Å; H173-D198 IonicContact ND1-OD1 2.95Å; H173-D198 PolarHBondContact ND1-OD1 2.84Å; H173-D198 IonicContact ND1-OD2 2.86Å; H173-D198 PolarHBondContact ND1-OD2 3.29Å; H173-S200 PolarHBondContact CE1-O 2.79Å; H173-S200 PolarHBondContact CE1-OG 3.15Å; H173-S200 VanDerWaalsContact CE1-OG 3.28Å; H173-S200 PolarHBondContact ND1-OG 2.87Å; H173-R202 PolarHBondContact ND1-NE 2.94Å
174D95.7Very high96.3Very high113 Ų11349 Ų4960%0.60424%0.241SC*.SBendtrans-87.8-6.3171.760.1-10.8000112.9D198 R202D174-D198 WeakPolarHBondContact OD1-CB 3.42Å; D174-R202 IonicContact OD1-NH2 3.71Å
175K97.9Very high96.1Very high106 Ų10648.9 Ų48.946%0.46124%0.237SC..SBendtrans-133.8-174.9171.9-61.3-174.2-177.2172.60111.1T143 H173 V177 A197 D198T143-K175 WeakPolarHBondContact CA-O 3.45Å; T143-K175 WeakPolarHBondContact CB-O 3.02Å; T143-K175 WeakPolarHBondContact CG2-O 3.35Å; H173-K175 VanDerWaalsContact C-N 3.34Å; H173-K175 WeakPolarHBondContact CB-O 3.4Å; K175-V177 PolarHBondContact O-N 3.37Å; K175-A197 HydrophobicContact CB-CB 3.81Å; K175-A197 HydrophobicContact CD-CB 4.16Å; K175-D198 HydrophobicContact CB-CB 4.43Å; K175-D198 HydrophobicContact CD-CB 4.48Å; K175-D198 HydrophobicContact CG-CB 4.46Å
176E98.3Very high95.5Very high77 Ų7747.7 Ų47.736%0.3625%0.251SS..  trans-49.7135.4-179.8-62.777.7-178.300111.7I141 Y178 G196 A197I141-E176 HydrophobicContact CB-CB 4.39Å; I141-E176 HydrophobicContact CB-CG 3.86Å; I141-E176 HydrophobicContact CG2-CG 4.24Å; I141-E176 WeakPolarHBondContact O-CG 3.06Å; E176-Y178 HydrophobicContact CB-CD1 4.41Å; E176-Y178 HydrophobicContact CB-CE1 3.79Å; E176-G196 CarbonylContact O-C 3.56Å; E176-G196 WeakPolarHBondContact O-CA 3.36Å; E176-A197 HydrophobicContact CB-CB 4.15Å; E176-A197 PolarHBondContact O-N 3.1Å; E176-A197 WeakPolarHBondContact OE2-CB 3.48Å
177V98.7Very high94.9Very high0 Ų047.9 Ų47.90%026%0.264CS..EExtended strand (participates in β ladder)trans-94.1128.1173.3-167.10000107.9T124 S140 T143 A172 H173 K175 V195T124-V177 WeakPolarHBondContact CB-O 3.21Å; T124-V177 VanDerWaalsContact CG2-O 3.29Å; T124-V177 WeakPolarHBondContact CG2-O 3.31Å; T124-V177 PolarHBondContact OG1-O 3.2Å; S140-V177 PolarHBondContact O-N 3.19Å; S140-V177 VanDerWaalsContact O-N 3.08Å; T143-V177 VanDerWaalsContact C-CG2 3.47Å; T143-V177 WeakPolarHBondContact O-CG2 3.42Å; A172-V177 HydrophobicContact CB-CG2 4.12Å; H173-V177 HydrophobicContact CB-CG2 4.19Å; K175-V177 PolarHBondContact O-N 3.37Å; V177-V195 VanDerWaalsContact CG1-O 3.31Å; V177-V195 WeakPolarHBondContact CG1-O 3.3Å
178Y98.6Very high94.5Very high47 Ų4743.7 Ų43.718%0.18425%0.246CC..EExtended strand (participates in β ladder)trans-103.1-28.4-175.2-67.2-41.8000114.6T124 S125 E176 V195 A197 P223 L224 L225 R226T124-Y178 HydrophobicContact CG2-CD1 4.28Å; S125-Y178 WeakPolarHBondContact CB-O 3.46Å; E176-Y178 HydrophobicContact CB-CD1 4.41Å; E176-Y178 HydrophobicContact CB-CE1 3.79Å; Y178-V195 PolarHBondContact N-O 3.07Å; Y178-A197 HydrophobicContact CE2-CB 3.63Å; Y178-P223 HydrophobicContact CE2-CB 3.99Å; Y178-L224 WeakPolarHBondContact CD2-O 3.37Å; Y178-L225 HydrophobicContact CD2-CD2 3.81Å; Y178-L225 HydrophobicContact CE2-CD2 4.13Å; Y178-L225 HydrophobicContact CG-CD2 4.17Å; Y178-R226 PolarHBondContact O-NH1 3.11Å; Y178-R226 VanDerWaalsContact O-NH1 3.16Å
179D98.7Very high94.2Very high4 Ų447.9 Ų47.92%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-150.5157.8176-154.88.6000111.9K73 S125 S194 V195 R226 L227K73-D179 IonicContact NZ-OD1 3.62Å; K73-D179 PolarHBondContact NZ-OD1 3.37Å; S125-D179 VanDerWaalsContact CB-OD1 3.22Å; S125-D179 WeakPolarHBondContact CB-OD1 3.26Å; S125-D179 PolarHBondContact OG-OD1 3.22Å; D179-S194 WeakPolarHBondContact O-CA 3.33Å; D179-S194 WeakPolarHBondContact O-CB 3.39Å; D179-V195 HydrophobicContact CB-CG2 3.68Å; D179-V195 PolarHBondContact N-O 2.76Å; D179-V195 PolarHBondContact O-N 3.36Å; D179-R226 WeakPolarHBondContact OD2-CA 3.39Å; D179-R226 VanDerWaalsContact OD2-CD 3.25Å; D179-R226 WeakPolarHBondContact OD2-CD 3.47Å; D179-L227 HydrophobicContact CB-CD2 4.48Å; D179-L227 PolarHBondContact OD2-N 2.88Å; D179-L227 VanDerWaalsContact OD2-N 3.08Å
180I98.8Very high94.2Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-140.2139.7176.3-175.1173.9000108D127 G137 C145 I147 F192 A193D127-I180 WeakPolarHBondContact CB-O 3.23Å; G137-I180 WeakPolarHBondContact O-CG2 3.29Å; C145-I180 HydrophobicContact CB-CD1 4.15Å; I147-I180 HydrophobicContact CD1-CD1 4.26Å; I180-F192 HydrophobicContact CD1-CD2 3.62Å; I180-F192 HydrophobicContact CD1-CE2 3.8Å; I180-F192 HydrophobicContact CD1-CG 4.29Å; I180-F192 HydrophobicContact CG1-CD2 3.67Å; I180-F192 HydrophobicContact CG1-CE2 4.23Å; I180-F192 HydrophobicContact CG1-CG 4.42Å; I180-A193 CarbonylContact C-O 3.56Å; I180-A193 WeakPolarHBondContact CA-O 3.43Å
181A98.4Very high94.2Very high8 Ų845.4 Ų45.47%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-147136.1167.700000112.6D127 F192 A193 L227 W229D127-A181 HydrophobicContact CB-CB 4.45Å; D127-A181 WeakPolarHBondContact OD2-CA 3.43Å; A181-F192 WeakPolarHBondContact O-CA 3.43Å; A181-F192 WeakPolarHBondContact O-CB 3.45Å; A181-A193 PolarHBondContact N-O 3.49Å; A181-A193 PolarHBondContact O-N 2.84Å; A181-L227 HydrophobicContact CB-CD1 3.38Å; A181-L227 HydrophobicContact CB-CG 4.3Å; A181-W229 PolarHBondContact O-NE1 2.79Å
182F98Very high94.2Very high11 Ų1139.3 Ų39.35%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-67.9133.3172.5-73.2-77.3000110.3D127 N129 I147 F192 L206D127-F182 HydrophobicContact CB-CD2 4.2Å; D127-F182 PolarHBondContact OD2-N 3.33Å; N129-F182 HydrophobicContact CB-CB 4.48Å; N129-F182 HydrophobicContact CB-CD1 4.27Å; N129-F182 HydrophobicContact CB-CD2 3.76Å; N129-F182 HydrophobicContact CB-CE1 4.47Å; N129-F182 HydrophobicContact CB-CE2 3.97Å; N129-F182 HydrophobicContact CB-CG 3.91Å; N129-F182 HydrophobicContact CB-CZ 4.32Å; N129-F182 WeakPolarHBondContact ND2-CD1 3.23Å; N129-F182 WeakPolarHBondContact ND2-CG 3.27Å; I147-F182 HydrophobicContact CD1-CZ 4.2Å; F182-F192 HydrophobicContact CD1-CB 3.83Å; F182-F192 HydrophobicContact CE1-CB 4.22Å; F182-F192 HydrophobicContact CG-CB 4.35Å; F182-L206 HydrophobicContact CE1-CD1 4.38Å
183S95.5Very high94.3Very high1 Ų139.2 Ų39.21%0.00721%0.214CC..  trans-84.2149.6171.8-172.20000109.3A185 G188 M191S183-A185 VanDerWaalsContact C-N 3.29Å; S183-A185 VanDerWaalsContact OG-CB 3.23Å; S183-A185 WeakPolarHBondContact OG-CB 3.21Å; S183-A185 PolarHBondContact OG-N 3.06Å; S183-G188 CarbonylContact O-C 3.46Å; S183-G188 WeakPolarHBondContact O-CA 3.37Å; S183-M191 PolarHBondContact N-O 2.74Å
184R92.3Very high94.3Very high122 Ų12239.1 Ų39.146%0.4621%0.214SC..  trans-86.5-2.3166.1-65.2176.767.7126.8-3.1112.6E130 G188 P234E130-R184 IonicContact OE2-CZ 2.87Å; E130-R184 IonicContact OE2-NH1 3.86Å; E130-R184 PolarHBondContact OE2-NH1 2.98Å; R184-G188 PolarHBondContact O-N 2.91Å; R184-P234 HydrophobicContact CB-CB 4.2Å
185A87.1Confident94.5Very high25 Ų2533.8 Ų33.821%0.20719%0.185CC..G310 helixtrans-62.4150.8175.900000111.4S183 G187 G188 P234S183-A185 VanDerWaalsContact C-N 3.29Å; S183-A185 VanDerWaalsContact OG-CB 3.23Å; S183-A185 WeakPolarHBondContact OG-CB 3.21Å; S183-A185 PolarHBondContact OG-N 3.06Å; A185-G187 PolarHBondContact O-N 2.88Å; A185-G187 VanDerWaalsContact O-N 3.16Å; A185-G188 PolarHBondContact O-N 2.87Å; A185-P234 HydrophobicContact CB-CB 4.19Å
186G80.6Confident94.5Very high69 Ų6928.7 Ų28.771%0.71116%0.163SC*.G310 helixtrans60.527.1175.100000114.7
187G83.8Confident94.5Very high58 Ų5825.4 Ų25.460%0.59815%0.149SC*.G310 helixtrans91.2-3.2-175.900000114.2V131 A185 R189V131-G187 WeakPolarHBondContact CG1-O 3.47Å; A185-G187 PolarHBondContact O-N 2.88Å; A185-G187 VanDerWaalsContact O-N 3.16Å; G187-R189 PolarHBondContact O-N 3.34Å; G187-R189 VanDerWaalsContact O-N 3.1Å
188G85.1Confident94.5Very high1 Ų125.9 Ų25.91%0.0115%0.152CC..SBendtrans75-5.616400000118N129 S183 R184 A185N129-G188 PolarHBondContact ND2-O 2.97Å; N129-G188 PolarHBondContact OD1-O 3.16Å; S183-G188 CarbonylContact O-C 3.46Å; S183-G188 WeakPolarHBondContact O-CA 3.37Å; R184-G188 PolarHBondContact O-N 2.91Å; A185-G188 PolarHBondContact O-N 2.87Å
189R90.2Very high94.4Very high124 Ų12423.7 Ų23.747%0.46814%0.143SC..SBendtrans-83.8-34.9-180-176.5175.5130.1159.13.1113.4N129 D132 L135 G187N129-R189 PolarHBondContact ND2-O 2.89Å; D132-R189 HydrophobicContact CB-CG 3.99Å; L135-R189 HydrophobicContact CD1-CG 4.06Å; G187-R189 PolarHBondContact O-N 3.34Å; G187-R189 VanDerWaalsContact O-N 3.1Å
190D93.3Very high94.4Very high28 Ų2823.5 Ų23.515%0.1514%0.142CC..SBendtrans-113.3-3.4-164.3-58-47.9000113.8D205 L206 R207D190-D205 CarbonylContact O-C 3.57Å; D190-D205 WeakPolarHBondContact O-CA 3.39Å; D190-L206 HydrophobicContact CB-CB 4.21Å; D190-L206 WeakPolarHBondContact O-CB 3.39Å; D190-L206 WeakPolarHBondContact O-CG 3.43Å; D190-L206 PolarHBondContact O-N 3.08Å; D190-R207 HydrophobicContact CB-CG 4.11Å; D190-R207 WeakPolarHBondContact OD2-CD 3.48Å; D190-R207 IonicContact OD2-NE 3.85Å; D190-R207 IonicContact OD2-NH1 3.32Å
191M95.4Very high94.4Very high28 Ų2823.5 Ų23.514%0.13814%0.142CC..EExtended strand (participates in β ladder)trans-112.2135.7-176.5-61.8-60.7-60.300111.3S183 M203 F204 D205S183-M191 PolarHBondContact N-O 2.74Å; M191-M203 HydrophobicContact CE-CE 4.21Å; M191-M203 HydrophobicContact CE-CG 3.79Å; M191-M203 HydrophobicContact CE-SD 3.98Å; M191-F204 WeakPolarHBondContact CA-O 3.46Å; M191-F204 WeakPolarHBondContact CE-O 3.41Å; M191-D205 HydrophobicContact CE-CB 4.16Å; M191-D205 HydrophobicContact SD-CB 3.45Å; M191-D205 WeakPolarHBondContact SD-CB 3.3Å; M191-D205 VanDerWaalsContact SD-CG 3.54Å
192F97.6Very high94.4Very high0 Ų025.1 Ų25.10%015%0.147CC..EExtended strand (participates in β ladder)trans-144162.4169.772.2-88.8000111C145 I147 L170 I180 A181 F182 F204 L206C145-F192 HydrophobicContact CB-CE2 4.31Å; I147-F192 HydrophobicContact CD1-CD1 4.21Å; I147-F192 HydrophobicContact CD1-CE1 3.96Å; I147-F192 HydrophobicContact CD1-CZ 4.28Å; I147-F192 HydrophobicContact CG1-CE1 4.44Å; L170-F192 HydrophobicContact CD1-CZ 4.48Å; L170-F192 HydrophobicContact CD2-CZ 4.12Å; I180-F192 HydrophobicContact CD1-CD2 3.62Å; I180-F192 HydrophobicContact CD1-CE2 3.8Å; I180-F192 HydrophobicContact CD1-CG 4.29Å; I180-F192 HydrophobicContact CG1-CD2 3.67Å; I180-F192 HydrophobicContact CG1-CE2 4.23Å; I180-F192 HydrophobicContact CG1-CG 4.42Å; A181-F192 WeakPolarHBondContact O-CA 3.43Å; A181-F192 WeakPolarHBondContact O-CB 3.45Å; F182-F192 HydrophobicContact CD1-CB 3.83Å; F182-F192 HydrophobicContact CE1-CB 4.22Å; F182-F192 HydrophobicContact CG-CB 4.35Å; F192-F204 HydrophobicContact CD1-CB 3.99Å; F192-F204 HydrophobicContact CD2-CB 4.35Å; F192-F204 AromaticContact CD2-CD2 3.97Å; F192-F204 HydrophobicContact CD2-CD2 3.97Å; F192-F204 HydrophobicContact CD2-CG 4.48Å; F192-F204 HydrophobicContact CE1-CB 3.45Å; F192-F204 VanDerWaalsContact CE1-CB 3.45Å; F192-F204 HydrophobicContact CE1-CG 4.12Å; F192-F204 HydrophobicContact CE2-CB 3.89Å; F192-F204 AromaticContact CE2-CD2 3.39Å; F192-F204 HydrophobicContact CE2-CD2 3.39Å; F192-F204 HydrophobicContact CE2-CE2 4.08Å; F192-F204 AromaticContact CE2-CG 3.74Å; F192-F204 HydrophobicContact CE2-CG 3.74Å; F192-F204 HydrophobicContact CG-CB 4.4Å; F192-F204 HydrophobicContact CZ-CB 3.41Å; F192-F204 VanDerWaalsContact CZ-CB 3.41Å; F192-F204 HydrophobicContact CZ-CD1 4.22Å; F192-F204 AromaticContact CZ-CD2 3.73Å; F192-F204 HydrophobicContact CZ-CD2 3.73Å; F192-F204 AromaticContact CZ-CG 3.52Å; F192-F204 HydrophobicContact CZ-CG 3.52Å; F192-F204 PolarHBondContact N-O 2.86Å; F192-F204 VanDerWaalsContact N-O 3.11Å; F192-F204 PolarHBondContact O-N 2.88Å; F192-L206 HydrophobicContact CD1-CD2 3.92Å; F192-L206 HydrophobicContact CD1-CG 4.34Å; F192-L206 HydrophobicContact CE1-CD2 3.58Å; F192-L206 HydrophobicContact CE1-CG 4.41Å
193A98.3Very high94.3Very high0 Ų026.2 Ų26.20%015%0.152CC..EExtended strand (participates in β ladder)trans-12215517000000110.9I180 A181 V201 R202 L227 W229 L237I180-A193 CarbonylContact C-O 3.56Å; I180-A193 WeakPolarHBondContact CA-O 3.43Å; A181-A193 PolarHBondContact N-O 3.49Å; A181-A193 PolarHBondContact O-N 2.84Å; A193-V201 HydrophobicContact CB-CG1 4.4Å; A193-R202 CarbonylContact C-O 3.56Å; A193-R202 WeakPolarHBondContact CA-O 3.42Å; A193-R202 WeakPolarHBondContact CB-O 3.48Å; A193-L227 HydrophobicContact CB-CD1 4.18Å; A193-L227 HydrophobicContact CB-CD2 4.37Å; A193-W229 HydrophobicContact CB-CZ2 3.7Å; A193-L237 HydrophobicContact CB-CD2 4.47Å
194S98.7Very high94.4Very high0 Ų026.4 Ų26.40%015%0.153CC..EExtended strand (participates in β ladder)trans-134.1157.6171.863.10000111.5H173 D179 V201 R202 F204 L227H173-S194 PolarHBondContact CD2-OG 2.9Å; H173-S194 PolarHBondContact NE2-O 3.13Å; H173-S194 PolarHBondContact NE2-OG 3.02Å; D179-S194 WeakPolarHBondContact O-CA 3.33Å; D179-S194 WeakPolarHBondContact O-CB 3.39Å; S194-V201 WeakPolarHBondContact O-CA 3.09Å; S194-R202 PolarHBondContact N-O 3.27Å; S194-R202 PolarHBondContact O-N 3.47Å; S194-F204 VanDerWaalsContact OG-CE2 3.24Å; S194-F204 WeakPolarHBondContact OG-CE2 3.4Å; S194-L227 VanDerWaalsContact CA-CD2 3.49Å
195V98.8Very high94.5Very high0 Ų021.8 Ų21.80%014%0.137CC..EExtended strand (participates in β ladder)trans-128.3153.4172.3-68.90000110.5V177 Y178 D179 S200 V201 L224 L227V177-V195 VanDerWaalsContact CG1-O 3.31Å; V177-V195 WeakPolarHBondContact CG1-O 3.3Å; Y178-V195 PolarHBondContact N-O 3.07Å; D179-V195 HydrophobicContact CB-CG2 3.68Å; D179-V195 PolarHBondContact N-O 2.76Å; D179-V195 PolarHBondContact O-N 3.36Å; V195-S200 WeakPolarHBondContact CA-O 3.27Å; V195-V201 HydrophobicContact CG1-CB 4.14Å; V195-V201 HydrophobicContact CG1-CG1 4.12Å; V195-V201 HydrophobicContact CG1-CG2 3.65Å; V195-L224 HydrophobicContact CB-CB 3.77Å; V195-L224 HydrophobicContact CG1-CB 4.03Å; V195-L224 HydrophobicContact CG1-CD1 4.28Å; V195-L224 HydrophobicContact CG2-CB 4.44Å; V195-L224 WeakPolarHBondContact CG2-O 3.38Å; V195-L227 HydrophobicContact CB-CD2 4.23Å; V195-L227 HydrophobicContact CG1-CB 4.01Å; V195-L227 HydrophobicContact CG1-CD2 3.73Å; V195-L227 HydrophobicContact CG1-CG 4.5Å; V195-L227 HydrophobicContact CG2-CD2 3.99Å
196G98.3Very high94.9Very high0 Ų021.7 Ų21.70%013%0.133CC..EExtended strand (participates in β ladder)trans-152.8-176.8-17800000115.3E176 D198 G199 L224E176-G196 CarbonylContact O-C 3.56Å; E176-G196 WeakPolarHBondContact O-CA 3.36Å; G196-D198 PolarHBondContact O-N 2.9Å; G196-D198 VanDerWaalsContact O-N 3.17Å; G196-G199 PolarHBondContact O-N 2.96Å; G196-G199 VanDerWaalsContact O-N 3.09Å; G196-L224 PolarHBondContact O-N 2.89Å
197A98.5Very high95.5Very high7 Ų725 Ų256%0.05812%0.124CC..THydrogen-bonded Turntrans-67.7-7.9178.900000114.2K175 E176 Y178K175-A197 HydrophobicContact CB-CB 3.81Å; K175-A197 HydrophobicContact CD-CB 4.16Å; E176-A197 HydrophobicContact CB-CB 4.15Å; E176-A197 PolarHBondContact O-N 3.1Å; E176-A197 WeakPolarHBondContact OE2-CB 3.48Å; Y178-A197 HydrophobicContact CE2-CB 3.63Å
198D97.9Very high95.9Very high11 Ų1128 Ų286%0.05912%0.122CC..THydrogen-bonded Turntrans-80.9-4.5171.972.5-5.8000113.2H173 D174 K175 G196 S200 R202H173-D198 IonicContact CE1-OD1 3.97Å; H173-D198 IonicContact CE1-OD2 3.81Å; H173-D198 IonicContact CG-OD2 3.6Å; H173-D198 IonicContact ND1-OD1 2.95Å; H173-D198 PolarHBondContact ND1-OD1 2.84Å; H173-D198 IonicContact ND1-OD2 2.86Å; H173-D198 PolarHBondContact ND1-OD2 3.29Å; D174-D198 WeakPolarHBondContact OD1-CB 3.42Å; K175-D198 HydrophobicContact CB-CB 4.43Å; K175-D198 HydrophobicContact CD-CB 4.48Å; K175-D198 HydrophobicContact CG-CB 4.46Å; G196-D198 PolarHBondContact O-N 2.9Å; G196-D198 VanDerWaalsContact O-N 3.17Å; D198-S200 VanDerWaalsContact C-N 3.29Å; D198-S200 PolarHBondContact O-N 3.42Å; D198-S200 WeakPolarHBondContact OD1-CB 3.33Å; D198-S200 PolarHBondContact OD1-N 2.86Å; D198-S200 PolarHBondContact OD1-OG 2.77Å; D198-S200 PolarHBondContact OD2-OG 3.3Å; D198-R202 IonicContact OD2-CZ 3.33Å; D198-R202 VanDerWaalsContact OD2-CZ 3.32Å; D198-R202 IonicContact OD2-NE 2.55Å; D198-R202 PolarHBondContact OD2-NE 2.91Å; D198-R202 IonicContact OD2-NH2 3.43Å; D198-R202 PolarHBondContact OD2-NH2 2.9Å
199G98.1Very high96.2Very high0 Ų030.5 Ų30.50%014%0.135CC..SBendtrans76.315.7178.300000113.8G196 E217 D218 H222 L224G196-G199 PolarHBondContact O-N 2.96Å; G196-G199 VanDerWaalsContact O-N 3.09Å; G199-E217 WeakPolarHBondContact O-CA 3.39Å; G199-D218 PolarHBondContact O-N 2.85Å; G199-H222 WeakPolarHBondContact CA-O 3.3Å; G199-L224 WeakPolarHBondContact O-CD1 3.24Å
200S98.3Very high96Very high1 Ų133.1 Ų33.11%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-108.8150.7-178.274.50000113.1H173 V195 D198 R202 Y216H173-S200 PolarHBondContact CE1-O 2.79Å; H173-S200 PolarHBondContact CE1-OG 3.15Å; H173-S200 VanDerWaalsContact CE1-OG 3.28Å; H173-S200 PolarHBondContact ND1-OG 2.87Å; V195-S200 WeakPolarHBondContact CA-O 3.27Å; D198-S200 VanDerWaalsContact C-N 3.29Å; D198-S200 PolarHBondContact O-N 3.42Å; D198-S200 WeakPolarHBondContact OD1-CB 3.33Å; D198-S200 PolarHBondContact OD1-N 2.86Å; D198-S200 PolarHBondContact OD1-OG 2.77Å; D198-S200 PolarHBondContact OD2-OG 3.3Å; S200-R202 PolarHBondContact OG-NE 2.88Å; S200-R202 VanDerWaalsContact OG-NE 3.09Å; S200-Y216 CarbonylContact C-O 3.57Å; S200-Y216 WeakPolarHBondContact CA-O 3.47Å
201V98.4Very high95.8Very high0 Ų038.5 Ų38.50%018%0.177CC..EExtended strand (participates in β ladder)trans-103.6122161.5-172.20000107.1A193 S194 V195 I215 Y216 L224 L237 T239 L250A193-V201 HydrophobicContact CB-CG1 4.4Å; S194-V201 WeakPolarHBondContact O-CA 3.09Å; V195-V201 HydrophobicContact CG1-CB 4.14Å; V195-V201 HydrophobicContact CG1-CG1 4.12Å; V195-V201 HydrophobicContact CG1-CG2 3.65Å; V201-I215 HydrophobicContact CB-CD1 4.36Å; V201-I215 HydrophobicContact CB-CG1 3.8Å; V201-I215 HydrophobicContact CG1-CD1 3.63Å; V201-I215 HydrophobicContact CG1-CG1 3.6Å; V201-I215 WeakPolarHBondContact O-CG1 3.17Å; V201-I215 PolarHBondContact O-N 2.84Å; V201-Y216 HydrophobicContact CG2-CD1 3.94Å; V201-Y216 HydrophobicContact CG2-CG 4.44Å; V201-Y216 PolarHBondContact N-O 2.95Å; V201-Y216 PolarHBondContact O-N 2.84Å; V201-L224 HydrophobicContact CG2-CD1 3.61Å; V201-L237 HydrophobicContact CG1-CD2 3.69Å; V201-T239 HydrophobicContact CG2-CG2 4.06Å; V201-L250 HydrophobicContact CG2-CD1 3.97Å
202R98Very high95.7Very high42 Ų4239.7 Ų39.716%0.15819%0.188CC..EExtended strand (participates in β ladder)trans-117.2138.5-179.5-64.1-178.9-172.8-1601.6110.5A172 H173 D174 A193 S194 D198 S200 F204 T213 I214A172-R202 WeakPolarHBondContact O-CD 3.17Å; A172-R202 PolarHBondContact O-NH1 2.85Å; H173-R202 PolarHBondContact ND1-NE 2.94Å; D174-R202 IonicContact OD1-NH2 3.71Å; A193-R202 CarbonylContact C-O 3.56Å; A193-R202 WeakPolarHBondContact CA-O 3.42Å; A193-R202 WeakPolarHBondContact CB-O 3.48Å; S194-R202 PolarHBondContact N-O 3.27Å; S194-R202 PolarHBondContact O-N 3.47Å; D198-R202 IonicContact OD2-CZ 3.33Å; D198-R202 VanDerWaalsContact OD2-CZ 3.32Å; D198-R202 IonicContact OD2-NE 2.55Å; D198-R202 PolarHBondContact OD2-NE 2.91Å; D198-R202 IonicContact OD2-NH2 3.43Å; D198-R202 PolarHBondContact OD2-NH2 2.9Å; S200-R202 PolarHBondContact OG-NE 2.88Å; S200-R202 VanDerWaalsContact OG-NE 3.09Å; R202-F204 HydrophobicContact CB-CD2 4.48Å; R202-F204 HydrophobicContact CB-CE2 3.49Å; R202-F204 VanDerWaalsContact CB-CE2 3.49Å; R202-F204 HydrophobicContact CB-CZ 3.71Å; R202-F204 WeakPolarHBondContact O-CE2 3.26Å; R202-T213 CarbonylContact C-O 3.59Å; R202-T213 WeakPolarHBondContact CA-O 3.33Å; R202-I214 HydrophobicContact CG-CG1 4.11Å
203M96.8Very high95.5Very high34 Ų3443.3 Ų43.317%0.16721%0.21CC..EExtended strand (participates in β ladder)trans-111.5139.1178.2-169.416866.500110.5M191 S212 T213 I215 W229M191-M203 HydrophobicContact CE-CE 4.21Å; M191-M203 HydrophobicContact CE-CG 3.79Å; M191-M203 HydrophobicContact CE-SD 3.98Å; M203-S212 WeakPolarHBondContact O-CA 3.38Å; M203-T213 PolarHBondContact N-O 2.79Å; M203-T213 PolarHBondContact O-N 2.95Å; M203-I215 HydrophobicContact CB-CG2 3.91Å; M203-I215 HydrophobicContact CE-CG2 4.21Å; M203-W229 HydrophobicContact SD-CH2 4.38Å
204F96.9Very high95.4Very high5 Ų546.9 Ų46.92%0.02223%0.228CC..EExtended strand (participates in β ladder)trans-131.5142.1-173.5-57.9-97.7000110.5L170 A172 M191 F192 S194 R202L170-F204 HydrophobicContact CD1-CD1 3.45Å; L170-F204 VanDerWaalsContact CD1-CD1 3.45Å; L170-F204 HydrophobicContact CD1-CE1 3.31Å; L170-F204 HydrophobicContact CD1-CG 4.36Å; L170-F204 HydrophobicContact CD1-CZ 4.16Å; A172-F204 HydrophobicContact CB-CE1 4.36Å; A172-F204 HydrophobicContact CB-CE2 4.38Å; A172-F204 HydrophobicContact CB-CZ 3.77Å; M191-F204 WeakPolarHBondContact CA-O 3.46Å; M191-F204 WeakPolarHBondContact CE-O 3.41Å; F192-F204 HydrophobicContact CD1-CB 3.99Å; F192-F204 HydrophobicContact CD2-CB 4.35Å; F192-F204 AromaticContact CD2-CD2 3.97Å; F192-F204 HydrophobicContact CD2-CD2 3.97Å; F192-F204 HydrophobicContact CD2-CG 4.48Å; F192-F204 HydrophobicContact CE1-CB 3.45Å; F192-F204 VanDerWaalsContact CE1-CB 3.45Å; F192-F204 HydrophobicContact CE1-CG 4.12Å; F192-F204 HydrophobicContact CE2-CB 3.89Å; F192-F204 AromaticContact CE2-CD2 3.39Å; F192-F204 HydrophobicContact CE2-CD2 3.39Å; F192-F204 HydrophobicContact CE2-CE2 4.08Å; F192-F204 AromaticContact CE2-CG 3.74Å; F192-F204 HydrophobicContact CE2-CG 3.74Å; F192-F204 HydrophobicContact CG-CB 4.4Å; F192-F204 HydrophobicContact CZ-CB 3.41Å; F192-F204 VanDerWaalsContact CZ-CB 3.41Å; F192-F204 HydrophobicContact CZ-CD1 4.22Å; F192-F204 AromaticContact CZ-CD2 3.73Å; F192-F204 HydrophobicContact CZ-CD2 3.73Å; F192-F204 AromaticContact CZ-CG 3.52Å; F192-F204 HydrophobicContact CZ-CG 3.52Å; F192-F204 PolarHBondContact N-O 2.86Å; F192-F204 VanDerWaalsContact N-O 3.11Å; F192-F204 PolarHBondContact O-N 2.88Å; S194-F204 VanDerWaalsContact OG-CE2 3.24Å; S194-F204 WeakPolarHBondContact OG-CE2 3.4Å; R202-F204 HydrophobicContact CB-CD2 4.48Å; R202-F204 HydrophobicContact CB-CE2 3.49Å; R202-F204 VanDerWaalsContact CB-CE2 3.49Å; R202-F204 HydrophobicContact CB-CZ 3.71Å; R202-F204 WeakPolarHBondContact O-CE2 3.26Å
205D95.3Very high95.3Very high25 Ų2547 Ų4713%0.13423%0.229CC..EExtended strand (participates in β ladder)trans-109.3118.7168.8-173.5-22.8000108.8D190 M191 R207 H208 L209D190-D205 CarbonylContact O-C 3.57Å; D190-D205 WeakPolarHBondContact O-CA 3.39Å; M191-D205 HydrophobicContact CE-CB 4.16Å; M191-D205 HydrophobicContact SD-CB 3.45Å; M191-D205 WeakPolarHBondContact SD-CB 3.3Å; M191-D205 VanDerWaalsContact SD-CG 3.54Å; D205-R207 PolarHBondContact O-N 3.49Å; D205-R207 VanDerWaalsContact OD1-CB 3.27Å; D205-R207 WeakPolarHBondContact OD1-CB 3.21Å; D205-R207 WeakPolarHBondContact OD1-CG 3.37Å; D205-R207 IonicContact OD1-CZ 2.7Å; D205-R207 PolarHBondContact OD1-N 3.28Å; D205-R207 IonicContact OD1-NE 2.78Å; D205-R207 PolarHBondContact OD1-NE 3.08Å; D205-R207 IonicContact OD1-NH2 3.19Å; D205-R207 IonicContact OD2-CZ 3.61Å; D205-R207 IonicContact OD2-NE 2.72Å; D205-R207 PolarHBondContact OD2-NE 3Å; D205-R207 IonicContact OD2-NH2 3.48Å; D205-R207 PolarHBondContact OD2-NH2 3.21Å; D205-H208 HydrophobicContact CB-CB 4.42Å; D205-H208 CarbonylContact O-C 3.55Å; D205-H208 PolarHBondContact O-N 3.37Å; D205-H208 IonicContact OD2-ND1 3.56Å; D205-H208 PolarHBondContact OD2-ND1 3.09Å; D205-L209 WeakPolarHBondContact O-CD2 3.25Å; D205-L209 PolarHBondContact O-N 3.31Å
206L94.4Very high95.3Very high22 Ų2247.1 Ų47.112%0.11523%0.23CC..THydrogen-bonded Turntrans-58.2-19.4178.6-66.7-174.9000113.5I147 T168 F182 D190 F192 L209I147-L206 HydrophobicContact CB-CD2 4.5Å; I147-L206 HydrophobicContact CD1-CD2 4.17Å; I147-L206 HydrophobicContact CG1-CD2 3.72Å; I147-L206 HydrophobicContact CG2-CD1 4.28Å; I147-L206 HydrophobicContact CG2-CD2 4.34Å; T168-L206 HydrophobicContact CG2-CD2 4.44Å; F182-L206 HydrophobicContact CE1-CD1 4.38Å; D190-L206 HydrophobicContact CB-CB 4.21Å; D190-L206 WeakPolarHBondContact O-CB 3.39Å; D190-L206 WeakPolarHBondContact O-CG 3.43Å; D190-L206 PolarHBondContact O-N 3.08Å; F192-L206 HydrophobicContact CD1-CD2 3.92Å; F192-L206 HydrophobicContact CD1-CG 4.34Å; F192-L206 HydrophobicContact CE1-CD2 3.58Å; F192-L206 HydrophobicContact CE1-CG 4.41Å; L206-L209 HydrophobicContact CD2-CD2 4.23Å
207R92.9Very high95.3Very high139 Ų13951.5 Ų51.553%0.52525%0.25SS..THydrogen-bonded Turntrans-85.3-20176.4-56.3167-63-174.58.2112.2D190 D205D190-R207 HydrophobicContact CB-CG 4.11Å; D190-R207 WeakPolarHBondContact OD2-CD 3.48Å; D190-R207 IonicContact OD2-NE 3.85Å; D190-R207 IonicContact OD2-NH1 3.32Å; D205-R207 PolarHBondContact O-N 3.49Å; D205-R207 VanDerWaalsContact OD1-CB 3.27Å; D205-R207 WeakPolarHBondContact OD1-CB 3.21Å; D205-R207 WeakPolarHBondContact OD1-CG 3.37Å; D205-R207 IonicContact OD1-CZ 2.7Å; D205-R207 PolarHBondContact OD1-N 3.28Å; D205-R207 IonicContact OD1-NE 2.78Å; D205-R207 PolarHBondContact OD1-NE 3.08Å; D205-R207 IonicContact OD1-NH2 3.19Å; D205-R207 IonicContact OD2-CZ 3.61Å; D205-R207 IonicContact OD2-NE 2.72Å; D205-R207 PolarHBondContact OD2-NE 3Å; D205-R207 IonicContact OD2-NH2 3.48Å; D205-R207 PolarHBondContact OD2-NH2 3.21Å
208H92.3Very high95.2Very high121 Ų12151.9 Ų51.956%0.5625%0.251SS*.  trans-138.756.2-173.6-57.1101.6000111.6D205 E210 H211D205-H208 HydrophobicContact CB-CB 4.42Å; D205-H208 CarbonylContact O-C 3.55Å; D205-H208 PolarHBondContact O-N 3.37Å; D205-H208 IonicContact OD2-ND1 3.56Å; D205-H208 PolarHBondContact OD2-ND1 3.09Å; H208-E210 PolarHBondContact O-N 2.98Å; H208-E210 VanDerWaalsContact O-N 3.09Å; H208-H211 PolarHBondContact O-N 3.33Å
209L90.9Very high95Very high54 Ų5456.1 Ų56.128%0.28328%0.279SS..THydrogen-bonded Turntrans-68.3-7.4-175.2-68.1173.5000115.1T168 L170 D205 L206 H211T168-L209 HydrophobicContact CG2-CD1 3.72Å; T168-L209 WeakPolarHBondContact OG1-CD1 3.32Å; L170-L209 HydrophobicContact CD2-CD2 3.99Å; D205-L209 WeakPolarHBondContact O-CD2 3.25Å; D205-L209 PolarHBondContact O-N 3.31Å; L206-L209 HydrophobicContact CD2-CD2 4.23Å; L209-H211 PolarHBondContact O-N 3.38Å
210E87.8Confident94.8Very high179 Ų17963 Ų6384%0.83631%0.311SS*.THydrogen-bonded Turntrans-67.5-17.7174.1-60.2-176.5172.100112.2H208H208-E210 PolarHBondContact O-N 2.98Å; H208-E210 VanDerWaalsContact O-N 3.09Å
211H88.2Confident94.7Very high140 Ų14068 Ų6865%0.64833%0.334SS*.  trans-131.2132-179.3-58.9-49.2000111H208 L209H208-H211 PolarHBondContact O-N 3.33Å; L209-H211 PolarHBondContact O-N 3.38Å
212S93.1Very high94.6Very high53 Ų5372.1 Ų72.137%0.37135%0.353SS..EExtended strand (participates in β ladder)trans-111.9154.5163.866.40000109.4M203M203-S212 WeakPolarHBondContact O-CA 3.38Å
213T94.6Very high94.7Very high76 Ų7671.9 Ų71.947%0.46636%0.357SS..EExtended strand (participates in β ladder)trans-113.7122175.6-57.40000108.9R202 M203 I215R202-T213 CarbonylContact C-O 3.59Å; R202-T213 WeakPolarHBondContact CA-O 3.33Å; M203-T213 PolarHBondContact N-O 2.79Å; M203-T213 PolarHBondContact O-N 2.95Å; T213-I215 HydrophobicContact CG2-CG2 4.04Å; T213-I215 PolarHBondContact O-N 2.55Å
214I96.1Very high94.7Very high75 Ų7570.4 Ų70.439%0.38535%0.35SS..EExtended strand (participates in β ladder)trans-74.7115.3168.5-58.9172.8000107R202 E217R202-I214 HydrophobicContact CG-CG1 4.11Å; I214-E217 HydrophobicContact CG2-CB 4.49Å
215I96.7Very high94.8Very high4 Ų472 Ų722%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-99.9-18.6-178.463.4173.1000112.6V201 M203 T213 L237 V252 C256V201-I215 HydrophobicContact CB-CD1 4.36Å; V201-I215 HydrophobicContact CB-CG1 3.8Å; V201-I215 HydrophobicContact CG1-CD1 3.63Å; V201-I215 HydrophobicContact CG1-CG1 3.6Å; V201-I215 WeakPolarHBondContact O-CG1 3.17Å; V201-I215 PolarHBondContact O-N 2.84Å; M203-I215 HydrophobicContact CB-CG2 3.91Å; M203-I215 HydrophobicContact CE-CG2 4.21Å; T213-I215 HydrophobicContact CG2-CG2 4.04Å; T213-I215 PolarHBondContact O-N 2.55Å; I215-L237 HydrophobicContact CD1-CD2 4.02Å; I215-V252 HydrophobicContact CD1-CG1 3.84Å; I215-C256 PolarHBondContact O-N 3.01Å
216Y98Very high94.9Very high2 Ų274.3 Ų74.31%0.00837%0.365CS..EExtended strand (participates in β ladder)trans-157.4148172.7174.6-101.9000109.3S200 V201 D218 L224 T239 V248 L250 P258 R261S200-Y216 CarbonylContact C-O 3.57Å; S200-Y216 WeakPolarHBondContact CA-O 3.47Å; V201-Y216 HydrophobicContact CG2-CD1 3.94Å; V201-Y216 HydrophobicContact CG2-CG 4.44Å; V201-Y216 PolarHBondContact N-O 2.95Å; V201-Y216 PolarHBondContact O-N 2.84Å; Y216-D218 HydrophobicContact CE1-CB 4.3Å; Y216-D218 PolarHBondContact OH-OD2 2.66Å; Y216-L224 HydrophobicContact CD1-CD1 3.86Å; Y216-L224 HydrophobicContact CE1-CD1 4.01Å; Y216-L224 HydrophobicContact CE1-CD2 4.44Å; Y216-T239 HydrophobicContact CD1-CG2 4.34Å; Y216-T239 HydrophobicContact CE1-CG2 4.46Å; Y216-V248 HydrophobicContact CE2-CG1 4.3Å; Y216-L250 HydrophobicContact CD1-CD1 4.38Å; Y216-L250 HydrophobicContact CD2-CD2 3.59Å; Y216-L250 HydrophobicContact CE2-CD2 4.24Å; Y216-L250 HydrophobicContact CG-CD1 3.95Å; Y216-L250 HydrophobicContact CG-CD2 3.75Å; Y216-P258 HydrophobicContact CE2-CG 4.5Å; Y216-R261 PolarHBondContact OH-NH2 2.88Å
217E97.6Very high95Very high92 Ų9273.6 Ų73.643%0.4336%0.362SS..EExtended strand (participates in β ladder)trans-137.8131.8170.2-173.2169.1-151.300107.2G199 I214 H221G199-E217 WeakPolarHBondContact O-CA 3.39Å; I214-E217 HydrophobicContact CG2-CB 4.49Å; E217-H221 VanDerWaalsContact CD-CE1 3.43Å; E217-H221 IonicContact OE1-CE1 2.75Å; E217-H221 PolarHBondContact OE1-CE1 2.82Å; E217-H221 IonicContact OE1-ND1 3.89Å; E217-H221 PolarHBondContact OE1-ND1 2.75Å
218D96.4Very high95.3Very high15 Ų1568.2 Ų68.28%0.0835%0.345CS..  trans-64129.4175.9-175.6-99.8000109.7G199 Y216 Q220 H221 H222 L224G199-D218 PolarHBondContact O-N 2.85Å; Y216-D218 HydrophobicContact CE1-CB 4.3Å; Y216-D218 PolarHBondContact OH-OD2 2.66Å; D218-Q220 PolarHBondContact O-N 3.06Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.48Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.31Å; D218-Q220 PolarHBondContact OD1-N 2.92Å; D218-H221 WeakPolarHBondContact O-CA 3.49Å; D218-H221 PolarHBondContact O-N 3.41Å; D218-H221 PolarHBondContact OD1-N 3.27Å; D218-H222 IonicContact OD1-CG 3.06Å; D218-H222 PolarHBondContact OD1-N 2.75Å; D218-H222 VanDerWaalsContact OD1-N 3.14Å; D218-H222 IonicContact OD1-ND1 3.47Å; D218-L224 HydrophobicContact CB-CD2 4.48Å
219P94.2Very high95.5Very high99 Ų9962.8 Ų62.864%0.64332%0.32SS*.THydrogen-bonded Turntrans-59.9-22.4-177.2-26.434.9000114.7
220Q94.9Very high95.8Very high145 Ų14560.3 Ų60.368%0.67831%0.307SS*.THydrogen-bonded Turntrans-102.54.5177.5-58.9-176.516.700111.8D218 H222D218-Q220 PolarHBondContact O-N 3.06Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.48Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.31Å; D218-Q220 PolarHBondContact OD1-N 2.92Å; Q220-H222 PolarHBondContact O-N 2.75Å; Q220-H222 PolarHBondContact OE1-CE1 3.34Å
221H94.9Very high95.9Very high106 Ų10654.9 Ų54.949%0.49128%0.28SS..  trans51.633.5-172.9-56.2-86.4000112.8E217 D218E217-H221 VanDerWaalsContact CD-CE1 3.43Å; E217-H221 IonicContact OE1-CE1 2.75Å; E217-H221 PolarHBondContact OE1-CE1 2.82Å; E217-H221 IonicContact OE1-ND1 3.89Å; E217-H221 PolarHBondContact OE1-ND1 2.75Å; D218-H221 WeakPolarHBondContact O-CA 3.49Å; D218-H221 PolarHBondContact O-N 3.41Å; D218-H221 PolarHBondContact OD1-N 3.27Å
222H97.4Very high96.2Very high87 Ų8753.4 Ų53.440%0.40327%0.274SS..PPolyproline II helixtrans-64.5136.8170.6-70.2136.2000109.7G199 D218 Q220 L224 A241G199-H222 WeakPolarHBondContact CA-O 3.3Å; D218-H222 IonicContact OD1-CG 3.06Å; D218-H222 PolarHBondContact OD1-N 2.75Å; D218-H222 VanDerWaalsContact OD1-N 3.14Å; D218-H222 IonicContact OD1-ND1 3.47Å; Q220-H222 PolarHBondContact O-N 2.75Å; Q220-H222 PolarHBondContact OE1-CE1 3.34Å; H222-L224 PolarHBondContact O-N 2.88Å; H222-A241 HydrophobicContact CB-CB 4.28Å
223P98.4Very high96.3Very high36 Ų3652.9 Ų52.923%0.23427%0.267CS..PPolyproline II helixtrans-51.2136176.1-30.837.9000112.9Y178 A241 M242Y178-P223 HydrophobicContact CE2-CB 3.99Å; P223-A241 CarbonylContact O-C 3.58Å; P223-A241 VanDerWaalsContact O-CA 3.25Å; P223-A241 WeakPolarHBondContact O-CA 3.45Å; P223-M242 HydrophobicContact CB-CB 3.94Å; P223-M242 HydrophobicContact CB-SD 4.46Å; P223-M242 PolarHBondContact O-N 3.34Å
224L98.4Very high96.3Very high3 Ų351 Ų512%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-100.6122.9175.3-65.3-177000110Y178 V195 G196 G199 V201 Y216 D218 H222 T239 M240 A241Y178-L224 WeakPolarHBondContact CD2-O 3.37Å; V195-L224 HydrophobicContact CB-CB 3.77Å; V195-L224 HydrophobicContact CG1-CB 4.03Å; V195-L224 HydrophobicContact CG1-CD1 4.28Å; V195-L224 HydrophobicContact CG2-CB 4.44Å; V195-L224 WeakPolarHBondContact CG2-O 3.38Å; G196-L224 PolarHBondContact O-N 2.89Å; G199-L224 WeakPolarHBondContact O-CD1 3.24Å; V201-L224 HydrophobicContact CG2-CD1 3.61Å; Y216-L224 HydrophobicContact CD1-CD1 3.86Å; Y216-L224 HydrophobicContact CE1-CD1 4.01Å; Y216-L224 HydrophobicContact CE1-CD2 4.44Å; D218-L224 HydrophobicContact CB-CD2 4.48Å; H222-L224 PolarHBondContact O-N 2.88Å; L224-T239 HydrophobicContact CD1-CG2 4.48Å; L224-M240 WeakPolarHBondContact CA-O 3.1Å; L224-A241 HydrophobicContact CD2-CB 4.02Å
225L97.5Very high96.2Very high38 Ų3849.5 Ų49.520%0.19925%0.249CC..EExtended strand (participates in β ladder)trans-92.2-35.5-168.7-74.7-174.8000115.2Y178 M240 M242Y178-L225 HydrophobicContact CD2-CD2 3.81Å; Y178-L225 HydrophobicContact CE2-CD2 4.13Å; Y178-L225 HydrophobicContact CG-CD2 4.17Å; L225-M240 PolarHBondContact N-O 2.87Å; L225-M242 HydrophobicContact CD1-CB 3.87Å; L225-M242 HydrophobicContact CD1-CG 3.93Å; L225-M242 HydrophobicContact CD2-CB 3.9Å; L225-M242 HydrophobicContact CD2-CG 4.03Å; L225-M242 HydrophobicContact CD2-SD 4Å; L225-M242 HydrophobicContact CG-CB 3.63Å; L225-M242 HydrophobicContact CG-CG 4.08Å
226R97.4Very high96.2Very high74 Ų7451.5 Ų51.528%0.27926%0.256SS..EExtended strand (participates in β ladder)trans-147.4147.7-170.3-68.5-65.3178.9-106.16.8111Y178 D179 T239 M240Y178-R226 PolarHBondContact O-NH1 3.11Å; Y178-R226 VanDerWaalsContact O-NH1 3.16Å; D179-R226 WeakPolarHBondContact OD2-CA 3.39Å; D179-R226 VanDerWaalsContact OD2-CD 3.25Å; D179-R226 WeakPolarHBondContact OD2-CD 3.47Å; R226-T239 VanDerWaalsContact O-CA 3.3Å; R226-T239 WeakPolarHBondContact O-CA 3.41Å; R226-T239 PolarHBondContact O-OG1 3.4Å; R226-T239 VanDerWaalsContact O-OG1 3.1Å; R226-M240 HydrophobicContact CB-CE 3.39Å; R226-M240 HydrophobicContact CB-CG 4.18Å; R226-M240 HydrophobicContact CG-CE 3.42Å; R226-M240 VanDerWaalsContact CG-CE 3.42Å; R226-M240 PolarHBondContact O-N 3.01Å
227L97.9Very high96.2Very high8 Ų851.4 Ų51.44%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-134.5143.2172.874.498.5000110.4D179 A181 A193 S194 V195 L237 A238D179-L227 HydrophobicContact CB-CD2 4.48Å; D179-L227 PolarHBondContact OD2-N 2.88Å; D179-L227 VanDerWaalsContact OD2-N 3.08Å; A181-L227 HydrophobicContact CB-CD1 3.38Å; A181-L227 HydrophobicContact CB-CG 4.3Å; A193-L227 HydrophobicContact CB-CD1 4.18Å; A193-L227 HydrophobicContact CB-CD2 4.37Å; S194-L227 VanDerWaalsContact CA-CD2 3.49Å; V195-L227 HydrophobicContact CB-CD2 4.23Å; V195-L227 HydrophobicContact CG1-CB 4.01Å; V195-L227 HydrophobicContact CG1-CD2 3.73Å; V195-L227 HydrophobicContact CG1-CG 4.5Å; V195-L227 HydrophobicContact CG2-CD2 3.99Å; L227-L237 HydrophobicContact CB-CD1 4.15Å; L227-L237 HydrophobicContact CD1-CD1 3.6Å; L227-L237 HydrophobicContact CD1-CD2 4.48Å; L227-A238 CarbonylContact C-O 3.38Å; L227-A238 VanDerWaalsContact CA-O 3.27Å; L227-A238 WeakPolarHBondContact CA-O 3.41Å
228C97.8Very high96.2Very high26 Ų2647 Ų4718%0.17624%0.235CC..EExtended strand (participates in β ladder)trans-141.3123.9179.1-161.80000110.6L237 A238 I272 W274C228-L237 VanDerWaalsContact C-CD1 3.44Å; C228-L237 WeakPolarHBondContact O-CD1 3.27Å; C228-A238 PolarHBondContact N-O 3.05Å; C228-A238 PolarHBondContact O-N 2.9Å; C228-I272 HydrophobicContact CB-CB 4.42Å; C228-I272 HydrophobicContact CB-CG2 4.11Å; C228-W274 PolarHBondContact O-NE1 3.05Å
229W97.6Very high96.3Very high7 Ų746.3 Ų46.33%0.02723%0.231CC..EExtended strand (participates in β ladder)trans-77.6140176-69.7102.7000111.4A181 A193 M203 K231 P234 L237 V252A181-W229 PolarHBondContact O-NE1 2.79Å; A193-W229 HydrophobicContact CB-CZ2 3.7Å; M203-W229 HydrophobicContact SD-CH2 4.38Å; W229-K231 PolarHBondContact O-N 2.79Å; W229-P234 VanDerWaalsContact CZ3-O 3.31Å; W229-P234 WeakPolarHBondContact CZ3-O 3.47Å; W229-L237 HydrophobicContact CB-CD1 4.46Å; W229-L237 HydrophobicContact CD2-CB 4.41Å; W229-L237 HydrophobicContact CD2-CD1 3.58Å; W229-L237 HydrophobicContact CE3-CB 3.95Å; W229-L237 HydrophobicContact CE3-CD1 4Å; W229-L237 HydrophobicContact CG-CD1 3.8Å; W229-L237 HydrophobicContact CZ2-CD1 4.32Å; W229-L237 HydrophobicContact CZ2-CD2 4.49Å; W229-L237 HydrophobicContact CZ3-CB 4.02Å; W229-V252 HydrophobicContact CH2-CG1 3.68Å; W229-V252 HydrophobicContact CZ3-CG1 3.59Å; W229-V252 HydrophobicContact CZ3-CG2 4.33Å
230N97.1Very high96.5Very high2 Ų241.7 Ų41.71%0.01120%0.201CC..  trans-64.8125166.5-179.4-30.1000109.5Q232 D233 Y236 W274 S279N230-Q232 VanDerWaalsContact C-N 3.33Å; N230-Q232 PolarHBondContact OD1-N 3.04Å; N230-D233 VanDerWaalsContact CB-O 3.29Å; N230-D233 WeakPolarHBondContact CB-O 3.42Å; N230-D233 PolarHBondContact OD1-N 2.9Å; N230-Y236 WeakPolarHBondContact CB-O 3.48Å; N230-Y236 PolarHBondContact N-O 2.55Å; N230-W274 HydrophobicContact CB-CD2 3.67Å; N230-W274 HydrophobicContact CB-CE3 3.77Å; N230-W274 HydrophobicContact CB-CG 4.17Å; N230-W274 HydrophobicContact CB-CH2 4.1Å; N230-W274 HydrophobicContact CB-CZ2 4.02Å; N230-W274 HydrophobicContact CB-CZ3 3.98Å; N230-W274 WeakPolarHBondContact ND2-CZ3 3.45Å; N230-S279 PolarHBondContact ND2-O 2.89Å
231K90Very high96.6Very high64 Ų6435.5 Ų35.528%0.27818%0.175SC..SBendtrans-77-21-172.4-59.3-62.3-178.7171.70113.2E130 W229E130-K231 IonicContact OE1-NZ 3.63Å; E130-K231 PolarHBondContact OE1-NZ 2.89Å; W229-K231 PolarHBondContact O-N 2.79Å
232Q94.6Very high96.7Very high110 Ų11034.4 Ų34.451%0.51417%0.171SC..SBendtrans-101.2-33.7-179.7-68.4-60.2-44.500112.6N230 P276N230-Q232 VanDerWaalsContact C-N 3.33Å; N230-Q232 PolarHBondContact OD1-N 3.04Å; Q232-P276 PolarHBondContact NE2-O 2.91Å
233D95.3Very high96.6Very high41 Ų4135.9 Ų35.922%0.21918%0.182CC..  trans-124102.1175-171.2-16.1000111.1N230 N235 Y236N230-D233 VanDerWaalsContact CB-O 3.29Å; N230-D233 WeakPolarHBondContact CB-O 3.42Å; N230-D233 PolarHBondContact OD1-N 2.9Å; D233-N235 PolarHBondContact O-N 2.83Å; D233-N235 VanDerWaalsContact OD1-CB 3.32Å; D233-N235 WeakPolarHBondContact OD1-CB 3.46Å; D233-N235 PolarHBondContact OD1-N 2.84Å; D233-N235 PolarHBondContact OD1-ND2 2.81Å; D233-Y236 HydrophobicContact CB-CD2 4.04Å; D233-Y236 PolarHBondContact O-N 2.81Å; D233-Y236 WeakPolarHBondContact OD2-CE2 3.37Å
234P93.8Very high96.5Very high38 Ų3835 Ų3525%0.24718%0.179CC..THydrogen-bonded Turntrans-70.2-1.1-175.331.6-36.8000114.1R184 A185 W229 Y236R184-P234 HydrophobicContact CB-CB 4.2Å; A185-P234 HydrophobicContact CB-CB 4.19Å; W229-P234 VanDerWaalsContact CZ3-O 3.31Å; W229-P234 WeakPolarHBondContact CZ3-O 3.47Å; P234-Y236 VanDerWaalsContact C-N 3.32Å
235N94.6Very high96.5Very high43 Ų4339 Ų3923%0.2320%0.199CC..THydrogen-bonded Turntrans-77.8-20.3173.9-58.6-58.9000112.4D233 D251 V252 R253D233-N235 PolarHBondContact O-N 2.83Å; D233-N235 VanDerWaalsContact OD1-CB 3.32Å; D233-N235 WeakPolarHBondContact OD1-CB 3.46Å; D233-N235 PolarHBondContact OD1-N 2.84Å; D233-N235 PolarHBondContact OD1-ND2 2.81Å; N235-D251 WeakPolarHBondContact O-CA 3.34Å; N235-V252 PolarHBondContact O-N 2.91Å; N235-R253 PolarHBondContact ND2-NH1 3.2Å; N235-R253 WeakPolarHBondContact OD1-CD 3.48Å
236Y96.8Very high96.4Very high45 Ų4540.5 Ų40.518%0.17621%0.205CC..EExtended strand (participates in β ladder)trans-103.3134.6-176.8-65.1-71.3000112.6N230 D233 P234 I249 L250 D251 V259 M299N230-Y236 WeakPolarHBondContact CB-O 3.48Å; N230-Y236 PolarHBondContact N-O 2.55Å; D233-Y236 HydrophobicContact CB-CD2 4.04Å; D233-Y236 PolarHBondContact O-N 2.81Å; D233-Y236 WeakPolarHBondContact OD2-CE2 3.37Å; P234-Y236 VanDerWaalsContact C-N 3.32Å; Y236-I249 HydrophobicContact CD1-CG2 4.29Å; Y236-L250 WeakPolarHBondContact CA-O 3.42Å; Y236-D251 HydrophobicContact CD1-CB 4.19Å; Y236-D251 HydrophobicContact CE1-CB 3.87Å; Y236-V259 HydrophobicContact CD1-CG2 4.2Å; Y236-V259 HydrophobicContact CE1-CG2 4.04Å; Y236-M299 HydrophobicContact CD1-CE 4.32Å; Y236-M299 HydrophobicContact CE1-CE 4.01Å
237L97.4Very high96.4Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-129.5137.2175.6179.273000108.8A193 V201 I215 L227 C228 W229 L250 V252A193-L237 HydrophobicContact CB-CD2 4.47Å; V201-L237 HydrophobicContact CG1-CD2 3.69Å; I215-L237 HydrophobicContact CD1-CD2 4.02Å; L227-L237 HydrophobicContact CB-CD1 4.15Å; L227-L237 HydrophobicContact CD1-CD1 3.6Å; L227-L237 HydrophobicContact CD1-CD2 4.48Å; C228-L237 VanDerWaalsContact C-CD1 3.44Å; C228-L237 WeakPolarHBondContact O-CD1 3.27Å; W229-L237 HydrophobicContact CB-CD1 4.46Å; W229-L237 HydrophobicContact CD2-CB 4.41Å; W229-L237 HydrophobicContact CD2-CD1 3.58Å; W229-L237 HydrophobicContact CE3-CB 3.95Å; W229-L237 HydrophobicContact CE3-CD1 4Å; W229-L237 HydrophobicContact CG-CD1 3.8Å; W229-L237 HydrophobicContact CZ2-CD1 4.32Å; W229-L237 HydrophobicContact CZ2-CD2 4.49Å; W229-L237 HydrophobicContact CZ3-CB 4.02Å; L237-L250 HydrophobicContact CD2-CD1 4.41Å; L237-L250 PolarHBondContact N-O 2.67Å; L237-L250 PolarHBondContact O-N 2.79Å; L237-V252 HydrophobicContact CB-CG1 4.3Å
238A98.3Very high96.4Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-103142.9169.600000109.8L227 C228 V247 V248 I249 I272 W274 I282L227-A238 CarbonylContact C-O 3.38Å; L227-A238 VanDerWaalsContact CA-O 3.27Å; L227-A238 WeakPolarHBondContact CA-O 3.41Å; C228-A238 PolarHBondContact N-O 3.05Å; C228-A238 PolarHBondContact O-N 2.9Å; A238-V247 HydrophobicContact CB-CG1 4.03Å; A238-V248 CarbonylContact C-O 3.27Å; A238-V248 WeakPolarHBondContact CA-O 3.36Å; A238-I249 HydrophobicContact CB-CD1 3.69Å; A238-I272 HydrophobicContact CB-CD1 4.45Å; A238-I272 HydrophobicContact CB-CG2 3.89Å; A238-W274 HydrophobicContact CB-CZ2 3.89Å; A238-I282 HydrophobicContact CB-CD1 3.68Å
239T98.5Very high96.4Very high0 Ų035.8 Ų35.80%018%0.184CC..EExtended strand (participates in β ladder)trans-140.5156.6173.6-169.90000110.5V201 Y216 L224 R226 V248 L250V201-T239 HydrophobicContact CG2-CG2 4.06Å; Y216-T239 HydrophobicContact CD1-CG2 4.34Å; Y216-T239 HydrophobicContact CE1-CG2 4.46Å; L224-T239 HydrophobicContact CD1-CG2 4.48Å; R226-T239 VanDerWaalsContact O-CA 3.3Å; R226-T239 WeakPolarHBondContact O-CA 3.41Å; R226-T239 PolarHBondContact O-OG1 3.4Å; R226-T239 VanDerWaalsContact O-OG1 3.1Å; T239-V248 HydrophobicContact CG2-CB 4.01Å; T239-V248 PolarHBondContact N-O 2.95Å; T239-V248 PolarHBondContact O-N 2.68Å; T239-L250 HydrophobicContact CG2-CD1 4.02Å
240M97.8Very high96.4Very high2 Ų235.7 Ų35.71%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-137.4149.3173.458.9-171.9165.300112L224 L225 R226 V247 V269 N270 I272L224-M240 WeakPolarHBondContact CA-O 3.1Å; L225-M240 PolarHBondContact N-O 2.87Å; R226-M240 HydrophobicContact CB-CE 3.39Å; R226-M240 HydrophobicContact CB-CG 4.18Å; R226-M240 HydrophobicContact CG-CE 3.42Å; R226-M240 VanDerWaalsContact CG-CE 3.42Å; R226-M240 PolarHBondContact O-N 3.01Å; M240-V247 HydrophobicContact CB-CG2 4.43Å; M240-V269 HydrophobicContact SD-CB 3.79Å; M240-V269 HydrophobicContact SD-CG1 3.52Å; M240-V269 VanDerWaalsContact SD-CG1 3.52Å; M240-N270 VanDerWaalsContact CE-C 3.4Å; M240-N270 VanDerWaalsContact CE-O 3.32Å; M240-N270 WeakPolarHBondContact CE-O 3.46Å; M240-I272 HydrophobicContact CB-CD1 3.98Å; M240-I272 HydrophobicContact CE-CD1 3.95Å; M240-I272 HydrophobicContact CE-CG1 3.88Å; M240-I272 HydrophobicContact CG-CD1 3.72Å; M240-I272 HydrophobicContact CG-CG1 4.49Å; M240-I272 HydrophobicContact SD-CD1 3.65Å; M240-I272 HydrophobicContact SD-CG1 3.76Å
241A97.8Very high96.3Very high15 Ų1536.1 Ų36.112%0.12419%0.186CC..EExtended strand (participates in β ladder)trans-83.3155.9176.600000111.6H222 P223 L224 D243 G244H222-A241 HydrophobicContact CB-CB 4.28Å; P223-A241 CarbonylContact O-C 3.58Å; P223-A241 VanDerWaalsContact O-CA 3.25Å; P223-A241 WeakPolarHBondContact O-CA 3.45Å; L224-A241 HydrophobicContact CD2-CB 4.02Å; A241-D243 PolarHBondContact O-N 3.33Å; A241-G244 PolarHBondContact O-N 3.31Å; A241-G244 VanDerWaalsContact O-N 3.13Å
242M96.3Very high96.5Very high83 Ų8334.1 Ų34.141%0.40918%0.18SC..THydrogen-bonded Turntrans-60.2131.6169-172.1161.8-162.200109.8P223 L225 G244P223-M242 HydrophobicContact CB-CB 3.94Å; P223-M242 HydrophobicContact CB-SD 4.46Å; P223-M242 PolarHBondContact O-N 3.34Å; L225-M242 HydrophobicContact CD1-CB 3.87Å; L225-M242 HydrophobicContact CD1-CG 3.93Å; L225-M242 HydrophobicContact CD2-CB 3.9Å; L225-M242 HydrophobicContact CD2-CG 4.03Å; L225-M242 HydrophobicContact CD2-SD 4Å; L225-M242 HydrophobicContact CG-CB 3.63Å; L225-M242 HydrophobicContact CG-CG 4.08Å; M242-G244 PolarHBondContact O-N 3.42Å
243D95.2Very high96.4Very high119 Ų11935.7 Ų35.764%0.63618%0.181SC*.THydrogen-bonded Turntrans55.618.5-175.4-49.6-37.8000114A241 C268A241-D243 PolarHBondContact O-N 3.33Å; D243-C268 VanDerWaalsContact CA-SG 3.55Å
244G96.7Very high96.3Very high17 Ų1737.4 Ų37.418%0.17519%0.193CC..  trans-83.1140-179.500000111.7A241 M242 C268 V269A241-G244 PolarHBondContact O-N 3.31Å; A241-G244 VanDerWaalsContact O-N 3.13Å; M242-G244 PolarHBondContact O-N 3.42Å; G244-C268 WeakPolarHBondContact O-CA 3.13Å; G244-V269 PolarHBondContact O-N 3.1Å
245M97.4Very high96.1Very high86 Ų8638.5 Ų38.542%0.42420%0.199SC..SBendtrans-93.9-0.6176.6-51.8168.781.100112.4R266M245-R266 VanDerWaalsContact CE-CA 3.46Å; M245-R266 VanDerWaalsContact CE-O 3.24Å; M245-R266 WeakPolarHBondContact CE-O 3.5Å
246E96.7Very high95.9Very high70 Ų7040.7 Ų40.733%0.32722%0.217SC..  trans-119.7145.9-175.1-55.3-168.4142.800111.3R261 L262 N263E246-R261 IonicContact OE2-NH1 3.37Å; E246-R261 PolarHBondContact OE2-NH1 2.93Å; E246-L262 VanDerWaalsContact CA-O 3.32Å; E246-L262 WeakPolarHBondContact CA-O 3.22Å; E246-N263 HydrophobicContact CB-CB 4.47Å; E246-N263 HydrophobicContact CG-CB 3.72Å; E246-N263 WeakPolarHBondContact OE1-CB 3.36Å
247V98Very high95.7Very high0 Ų042.6 Ų42.60%023%0.233CC..EExtended strand (participates in β ladder)trans-105.6130.9166.91780000109.4A238 M240 I249 R261 L262 V269 I272 T284A238-V247 HydrophobicContact CB-CG1 4.03Å; M240-V247 HydrophobicContact CB-CG2 4.43Å; V247-I249 HydrophobicContact CG1-CD1 4.16Å; V247-R261 CarbonylContact O-C 3.52Å; V247-R261 WeakPolarHBondContact O-CA 3.21Å; V247-L262 HydrophobicContact CB-CB 4.3Å; V247-L262 HydrophobicContact CB-CD1 4.37Å; V247-L262 HydrophobicContact CG1-CD1 4.47Å; V247-L262 PolarHBondContact N-O 2.88Å; V247-L262 PolarHBondContact O-N 3.16Å; V247-V269 HydrophobicContact CG2-CB 4.41Å; V247-V269 HydrophobicContact CG2-CG1 3.8Å; V247-V269 HydrophobicContact CG2-CG2 4.34Å; V247-I272 HydrophobicContact CG1-CD1 3.73Å; V247-I272 HydrophobicContact CG1-CG1 4.24Å; V247-I272 HydrophobicContact CG2-CD1 4.04Å; V247-I272 HydrophobicContact CG2-CG1 4.03Å; V247-T284 HydrophobicContact CB-CG2 4.25Å; V247-T284 HydrophobicContact CG2-CG2 3.65Å
248V97.4Very high95.6Very high9 Ų944.3 Ų44.36%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-99.4127.4179.7-176.80000109.3Y216 A238 T239 L250 P258Y216-V248 HydrophobicContact CE2-CG1 4.3Å; A238-V248 CarbonylContact C-O 3.27Å; A238-V248 WeakPolarHBondContact CA-O 3.36Å; T239-V248 HydrophobicContact CG2-CB 4.01Å; T239-V248 PolarHBondContact N-O 2.95Å; T239-V248 PolarHBondContact O-N 2.68Å; V248-L250 HydrophobicContact CG1-CD2 3.71Å; V248-L250 HydrophobicContact CG1-CG 4.36Å; V248-P258 HydrophobicContact CG1-CB 3.43Å; V248-P258 VanDerWaalsContact CG1-CB 3.43Å; V248-P258 HydrophobicContact CG1-CG 4.41Å
249I97.8Very high95.4Very high0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-101129.2173.6-48.6-59000108.9Y236 A238 V247 P258 V259 A260 L262 W274 I282 I296 M299Y236-I249 HydrophobicContact CD1-CG2 4.29Å; A238-I249 HydrophobicContact CB-CD1 3.69Å; V247-I249 HydrophobicContact CG1-CD1 4.16Å; I249-P258 CarbonylContact O-C 3.54Å; I249-P258 WeakPolarHBondContact O-CA 3.36Å; I249-V259 HydrophobicContact CB-CG2 4.08Å; I249-V259 HydrophobicContact CG2-CG2 3.76Å; I249-V259 VanDerWaalsContact O-CG2 3.29Å; I249-V259 WeakPolarHBondContact O-CG2 3.46Å; I249-V259 PolarHBondContact O-N 2.83Å; I249-A260 HydrophobicContact CB-CB 4.11Å; I249-A260 HydrophobicContact CG1-CB 4.19Å; I249-A260 PolarHBondContact N-O 3.25Å; I249-A260 PolarHBondContact O-N 3.01Å; I249-L262 HydrophobicContact CD1-CD1 4.1Å; I249-L262 HydrophobicContact CG1-CD1 4.36Å; I249-L262 HydrophobicContact CG1-CG 4.34Å; I249-W274 HydrophobicContact CD1-CH2 4.28Å; I249-W274 HydrophobicContact CD1-CZ2 4.08Å; I249-W274 HydrophobicContact CG2-CH2 4.23Å; I249-W274 HydrophobicContact CG2-CZ2 4.43Å; I249-I282 HydrophobicContact CD1-CD1 3.95Å; I249-I296 HydrophobicContact CG2-CD1 4.48Å; I249-M299 HydrophobicContact CB-SD 4.45Å; I249-M299 HydrophobicContact CG2-SD 4Å
250L97.3Very high95.3Very high5 Ų546.6 Ų46.63%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-116.3140.5-176.7-54.8176000109.7V201 Y216 Y236 L237 T239 V248 P258V201-L250 HydrophobicContact CG2-CD1 3.97Å; Y216-L250 HydrophobicContact CD1-CD1 4.38Å; Y216-L250 HydrophobicContact CD2-CD2 3.59Å; Y216-L250 HydrophobicContact CE2-CD2 4.24Å; Y216-L250 HydrophobicContact CG-CD1 3.95Å; Y216-L250 HydrophobicContact CG-CD2 3.75Å; Y236-L250 WeakPolarHBondContact CA-O 3.42Å; L237-L250 HydrophobicContact CD2-CD1 4.41Å; L237-L250 PolarHBondContact N-O 2.67Å; L237-L250 PolarHBondContact O-N 2.79Å; T239-L250 HydrophobicContact CG2-CD1 4.02Å; V248-L250 HydrophobicContact CG1-CD2 3.71Å; V248-L250 HydrophobicContact CG1-CG 4.36Å; L250-P258 HydrophobicContact CD2-CB 4.07Å
251D95.3Very high95.2Very high12 Ų1250.5 Ų50.56%0.06428%0.275CS..EExtended strand (participates in β ladder)trans-102.1113.3162.7-176.5-22.2000107.9N235 Y236 R253 V254 V259N235-D251 WeakPolarHBondContact O-CA 3.34Å; Y236-D251 HydrophobicContact CD1-CB 4.19Å; Y236-D251 HydrophobicContact CE1-CB 3.87Å; D251-R253 PolarHBondContact O-N 2.89Å; D251-R253 VanDerWaalsContact OD1-CB 3.27Å; D251-R253 WeakPolarHBondContact OD1-CB 3.46Å; D251-R253 WeakPolarHBondContact OD1-CG 3.2Å; D251-R253 IonicContact OD1-CZ 3.2Å; D251-R253 PolarHBondContact OD1-N 2.75Å; D251-R253 IonicContact OD1-NE 3.8Å; D251-R253 PolarHBondContact OD1-NE 3.47Å; D251-R253 IonicContact OD1-NH2 2.69Å; D251-R253 IonicContact OD2-CZ 2.83Å; D251-R253 IonicContact OD2-NE 2.78Å; D251-R253 PolarHBondContact OD2-NE 3.13Å; D251-R253 IonicContact OD2-NH2 2.72Å; D251-R253 PolarHBondContact OD2-NH2 2.71Å; D251-V254 CarbonylContact O-C 3.54Å; D251-V254 VanDerWaalsContact O-C 3.31Å; D251-V254 PolarHBondContact O-N 3.31Å; D251-V259 HydrophobicContact CB-CG1 3.61Å
252V94.2Very high95.2Very high22 Ų2249.9 Ų49.913%0.13327%0.269CS..THydrogen-bonded Turntrans-68.7-10.4-173.2-53.30000113.5I215 W229 N235 L237I215-V252 HydrophobicContact CD1-CG1 3.84Å; W229-V252 HydrophobicContact CH2-CG1 3.68Å; W229-V252 HydrophobicContact CZ3-CG1 3.59Å; W229-V252 HydrophobicContact CZ3-CG2 4.33Å; N235-V252 PolarHBondContact O-N 2.91Å; L237-V252 HydrophobicContact CB-CG1 4.3Å
253R92.4Very high95.2Very high143 Ų14349.9 Ų49.954%0.5427%0.271SS..THydrogen-bonded Turntrans-81.6-19.1172.1-54.4170-65.8-172.52.6112.2N235 D251 P255N235-R253 PolarHBondContact ND2-NH1 3.2Å; N235-R253 WeakPolarHBondContact OD1-CD 3.48Å; D251-R253 PolarHBondContact O-N 2.89Å; D251-R253 VanDerWaalsContact OD1-CB 3.27Å; D251-R253 WeakPolarHBondContact OD1-CB 3.46Å; D251-R253 WeakPolarHBondContact OD1-CG 3.2Å; D251-R253 IonicContact OD1-CZ 3.2Å; D251-R253 PolarHBondContact OD1-N 2.75Å; D251-R253 IonicContact OD1-NE 3.8Å; D251-R253 PolarHBondContact OD1-NE 3.47Å; D251-R253 IonicContact OD1-NH2 2.69Å; D251-R253 IonicContact OD2-CZ 2.83Å; D251-R253 IonicContact OD2-NE 2.78Å; D251-R253 PolarHBondContact OD2-NE 3.13Å; D251-R253 IonicContact OD2-NH2 2.72Å; D251-R253 PolarHBondContact OD2-NH2 2.71Å; R253-P255 WeakPolarHBondContact O-CD 3.07Å
254V92.6Very high95.2Very high77 Ų7746.4 Ų46.447%0.46725%0.252SS..SBendtrans-121.975.2177.7-169.20000108.7D251D251-V254 CarbonylContact O-C 3.54Å; D251-V254 VanDerWaalsContact O-C 3.31Å; D251-V254 PolarHBondContact O-N 3.31Å
255P90.5Very high95.3Very high60 Ų6046.1 Ų46.139%0.3925%0.246SC..THydrogen-bonded Turntrans-63.4161.5-175.127.8-35.5000112.3R253 T257R253-P255 WeakPolarHBondContact O-CD 3.07Å; P255-T257 PolarHBondContact O-N 3Å
256C90.3Very high95.3Very high89 Ų8951.4 Ų51.460%0.60126%0.261SS*.THydrogen-bonded Turntrans68.3-11.8178-50.40000115.9I215I215-C256 PolarHBondContact O-N 3.01Å
257T92.1Very high95.4Very high85 Ų8549.3 Ų49.352%0.52126%0.256SS..SBendtrans-118.4119-179.1-52.20000110.8P255P255-T257 PolarHBondContact O-N 3Å
258P94.9Very high95.4Very high37 Ų3750.7 Ų50.724%0.2427%0.266CS..EExtended strand (participates in β ladder)trans-69.5140173.930.2-34.4000110.9Y216 V248 I249 L250Y216-P258 HydrophobicContact CE2-CG 4.5Å; V248-P258 HydrophobicContact CG1-CB 3.43Å; V248-P258 VanDerWaalsContact CG1-CB 3.43Å; V248-P258 HydrophobicContact CG1-CG 4.41Å; I249-P258 CarbonylContact O-C 3.54Å; I249-P258 WeakPolarHBondContact O-CA 3.36Å; L250-P258 HydrophobicContact CD2-CB 4.07Å
259V95.4Very high95.4Very high34 Ų3450.4 Ų50.421%0.20626%0.264CS..EExtended strand (participates in β ladder)trans-87.3-24.1178.3-66.70000112.8Y236 I249 D251 M299Y236-V259 HydrophobicContact CD1-CG2 4.2Å; Y236-V259 HydrophobicContact CE1-CG2 4.04Å; I249-V259 HydrophobicContact CB-CG2 4.08Å; I249-V259 HydrophobicContact CG2-CG2 3.76Å; I249-V259 VanDerWaalsContact O-CG2 3.29Å; I249-V259 WeakPolarHBondContact O-CG2 3.46Å; I249-V259 PolarHBondContact O-N 2.83Å; D251-V259 HydrophobicContact CB-CG1 3.61Å; V259-M299 HydrophobicContact CG2-SD 3.93Å
260A95.6Very high95.4Very high13 Ų1352.7 Ų52.711%0.10728%0.276CS..EExtended strand (participates in β ladder)trans-156159.517300000111.5I249 M299 I303I249-A260 HydrophobicContact CB-CB 4.11Å; I249-A260 HydrophobicContact CG1-CB 4.19Å; I249-A260 PolarHBondContact N-O 3.25Å; I249-A260 PolarHBondContact O-N 3.01Å; A260-M299 HydrophobicContact CB-CG 3.94Å; A260-M299 HydrophobicContact CB-SD 3.73Å; A260-I303 HydrophobicContact CB-CD1 4.11Å
261R95.7Very high95.3Very high85 Ų8552.6 Ų52.632%0.32128%0.277SS..EExtended strand (participates in β ladder)trans-128.9132168.9-67.5178.8174.7-89.4-8.8107.9Y216 E246 V247Y216-R261 PolarHBondContact OH-NH2 2.88Å; E246-R261 IonicContact OE2-NH1 3.37Å; E246-R261 PolarHBondContact OE2-NH1 2.93Å; V247-R261 CarbonylContact O-C 3.52Å; V247-R261 WeakPolarHBondContact O-CA 3.21Å
262L97.6Very high95.5Very high1 Ų152.8 Ų52.81%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-105.2111.7178.6-50.6177.9000107.7E246 V247 I249 I282 T284 W294 I296 I303E246-L262 VanDerWaalsContact CA-O 3.32Å; E246-L262 WeakPolarHBondContact CA-O 3.22Å; V247-L262 HydrophobicContact CB-CB 4.3Å; V247-L262 HydrophobicContact CB-CD1 4.37Å; V247-L262 HydrophobicContact CG1-CD1 4.47Å; V247-L262 PolarHBondContact N-O 2.88Å; V247-L262 PolarHBondContact O-N 3.16Å; I249-L262 HydrophobicContact CD1-CD1 4.1Å; I249-L262 HydrophobicContact CG1-CD1 4.36Å; I249-L262 HydrophobicContact CG1-CG 4.34Å; L262-I282 HydrophobicContact CD1-CG2 3.78Å; L262-T284 HydrophobicContact CD1-CG2 4.41Å; L262-W294 HydrophobicContact CB-CD2 4.04Å; L262-W294 HydrophobicContact CB-CE3 4.2Å; L262-W294 HydrophobicContact CB-CH2 3.99Å; L262-W294 HydrophobicContact CB-CZ2 3.9Å; L262-W294 HydrophobicContact CB-CZ3 4.17Å; L262-W294 HydrophobicContact CD1-CB 4.18Å; L262-W294 HydrophobicContact CD1-CD2 4.04Å; L262-W294 HydrophobicContact CD1-CG 3.78Å; L262-W294 HydrophobicContact CD2-CB 4.38Å; L262-W294 HydrophobicContact CD2-CD2 4.06Å; L262-W294 HydrophobicContact CD2-CE3 3.92Å; L262-W294 HydrophobicContact CD2-CG 4.29Å; L262-W294 HydrophobicContact CD2-CZ3 4.44Å; L262-W294 HydrophobicContact CG-CD2 4.27Å; L262-W294 HydrophobicContact CG-CE3 4.49Å; L262-W294 HydrophobicContact CG-CG 4.46Å; L262-I296 HydrophobicContact CD2-CG2 4.36Å; L262-I303 HydrophobicContact CD2-CB 4.23Å; L262-I303 HydrophobicContact CD2-CD1 3.73Å; L262-I303 HydrophobicContact CD2-CG2 4.25Å
263N95.6Very high95.7Very high84 Ų8452 Ų5245%0.44927%0.273SS..  trans-137.749.4-16167.8-13.3000115.2E246E246-N263 HydrophobicContact CB-CB 4.47Å; E246-N263 HydrophobicContact CG-CB 3.72Å; E246-N263 WeakPolarHBondContact OE1-CB 3.36Å
264N96.9Very high95.9Very high45 Ų4545.5 Ų45.524%0.24125%0.248CC..  trans-113.5-5.2180-147.7-40000112.7L292 W294 E304 D305 P306N264-L292 HydrophobicContact CB-CD1 4.33Å; N264-W294 HydrophobicContact CB-CH2 3.43Å; N264-W294 VanDerWaalsContact CB-CH2 3.43Å; N264-W294 HydrophobicContact CB-CZ2 4.22Å; N264-W294 HydrophobicContact CB-CZ3 4.21Å; N264-E304 PolarHBondContact ND2-O 3.32Å; N264-D305 PolarHBondContact ND2-OD1 2.98Å; N264-D305 VanDerWaalsContact ND2-OD1 3.13Å; N264-P306 WeakPolarHBondContact ND2-CD 3.31Å
265H98Very high96.1Very high11 Ų1141.8 Ų41.85%0.05123%0.226CC..  trans-68148.3173-79.4-63.9000112V269 T284 A286 D288 Q290H265-V269 HydrophobicContact CB-CG2 4.17Å; H265-T284 WeakPolarHBondContact NE2-CB 3.46Å; H265-T284 PolarHBondContact NE2-OG1 3.49Å; H265-A286 HydrophobicContact CB-CB 4.27Å; H265-A286 VanDerWaalsContact ND1-CB 3.29Å; H265-A286 WeakPolarHBondContact ND1-CB 3.37Å; H265-D288 WeakPolarHBondContact CA-OD2 3.16Å; H265-D288 WeakPolarHBondContact CB-OD2 3.5Å; H265-D288 IonicContact CE1-OD1 2.89Å; H265-D288 IonicContact CG-OD2 3.64Å; H265-D288 IonicContact ND1-OD1 2.89Å; H265-D288 PolarHBondContact ND1-OD1 3.46Å; H265-D288 IonicContact ND1-OD2 3.33Å; H265-D288 PolarHBondContact ND1-OD2 3.24Å; H265-Q290 PolarHBondContact CE1-O 2.93Å
266R97.8Very high96.3Very high197 Ų19740.1 Ų40.174%0.74322%0.215SC*.SBendtrans-108.84.2-178.4-61.8-176-176.2-85-7.1113.7M245 D288M245-R266 VanDerWaalsContact CE-CA 3.46Å; M245-R266 VanDerWaalsContact CE-O 3.24Å; M245-R266 WeakPolarHBondContact CE-O 3.5Å; R266-D288 HydrophobicContact CB-CB 4.02Å; R266-D288 PolarHBondContact N-OD2 3.28Å
267A98.1Very high96.5Very high26 Ų2640.3 Ų40.322%0.21521%0.207CC..SBendtrans-152.6-174.3171.500000109.8D287 D288A267-D287 HydrophobicContact CB-CB 3.59Å; A267-D288 HydrophobicContact CB-CB 4.02Å
268C97.8Very high96.7Very high30 Ų3037 Ų3720%0.20319%0.188CC..  trans-61.1134.2-175-54.80000111.8D243 G244 A286 D287D243-C268 VanDerWaalsContact CA-SG 3.55Å; G244-C268 WeakPolarHBondContact O-CA 3.13Å; C268-A286 CarbonylContact O-C 3.54Å; C268-A286 WeakPolarHBondContact O-CA 3.25Å; C268-A286 WeakPolarHBondContact O-CB 3.28Å; C268-D287 PolarHBondContact O-N 3.09Å
269V98.3Very high96.7Very high3 Ų338.2 Ų38.22%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-82.5128.1174.5-170.30000109.1M240 G244 V247 H265 A285 A286M240-V269 HydrophobicContact SD-CB 3.79Å; M240-V269 HydrophobicContact SD-CG1 3.52Å; M240-V269 VanDerWaalsContact SD-CG1 3.52Å; G244-V269 PolarHBondContact O-N 3.1Å; V247-V269 HydrophobicContact CG2-CB 4.41Å; V247-V269 HydrophobicContact CG2-CG1 3.8Å; V247-V269 HydrophobicContact CG2-CG2 4.34Å; H265-V269 HydrophobicContact CB-CG2 4.17Å; V269-A285 WeakPolarHBondContact CG1-O 3.19Å; V269-A286 HydrophobicContact CG2-CB 4.45Å
270N96.8Very high96.8Very high47 Ų4737.8 Ų37.825%0.25120%0.195SC..EExtended strand (participates in β ladder)trans-112.1-22.1-176.6-61.4-42.8000113.4M240 A285 D287 I316M240-N270 VanDerWaalsContact CE-C 3.4Å; M240-N270 VanDerWaalsContact CE-O 3.32Å; M240-N270 WeakPolarHBondContact CE-O 3.46Å; N270-A285 PolarHBondContact N-O 3.5Å; N270-D287 PolarHBondContact ND2-OD1 3.3Å; N270-I316 WeakPolarHBondContact CB-O 3.47Å; N270-I316 PolarHBondContact ND2-O 2.92Å
271G96.5Very high96.9Very high4 Ų439.3 Ų39.34%0.04120%0.2CC..EExtended strand (participates in β ladder)trans-140.5142.9-17500000114.1T284 A285G271-T284 CarbonylContact O-C 3.41Å; G271-T284 WeakPolarHBondContact O-CA 3.32Å; G271-A285 PolarHBondContact N-O 2.88Å; G271-A285 VanDerWaalsContact N-O 3.09Å; G271-A285 PolarHBondContact O-N 2.81Å
272I98.1Very high97Very high15 Ų1535.2 Ų35.28%0.07718%0.184CC..EExtended strand (participates in β ladder)trans-135.5129.9175.3-56.6166.8000108.4C228 A238 M240 V247 I282 C283C228-I272 HydrophobicContact CB-CB 4.42Å; C228-I272 HydrophobicContact CB-CG2 4.11Å; A238-I272 HydrophobicContact CB-CD1 4.45Å; A238-I272 HydrophobicContact CB-CG2 3.89Å; M240-I272 HydrophobicContact CB-CD1 3.98Å; M240-I272 HydrophobicContact CE-CD1 3.95Å; M240-I272 HydrophobicContact CE-CG1 3.88Å; M240-I272 HydrophobicContact CG-CD1 3.72Å; M240-I272 HydrophobicContact CG-CG1 4.49Å; M240-I272 HydrophobicContact SD-CD1 3.65Å; M240-I272 HydrophobicContact SD-CG1 3.76Å; V247-I272 HydrophobicContact CG1-CD1 3.73Å; V247-I272 HydrophobicContact CG1-CG1 4.24Å; V247-I272 HydrophobicContact CG2-CD1 4.04Å; V247-I272 HydrophobicContact CG2-CG1 4.03Å; I272-I282 HydrophobicContact CG2-CD1 3.53Å; I272-I282 HydrophobicContact CG2-CG1 3.94Å; I272-C283 WeakPolarHBondContact CA-O 3.36Å
273A98Very high97Very high5 Ų535.2 Ų35.24%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-140.5117.1175.100000111.4C283 V319 W321A273-C283 PolarHBondContact N-O 2.91Å; A273-C283 PolarHBondContact O-N 3.32Å; A273-V319 HydrophobicContact CB-CG1 4.19Å; A273-W321 HydrophobicContact CB-CB 4.3Å
274W97.9Very high97.2Very high7 Ų731.2 Ų31.23%0.02716%0.163CC..EExtended strand (participates in β ladder)trans-71.5142.5171.6-71.495.3000111.5C228 N230 A238 I249 I282 I296C228-W274 PolarHBondContact O-NE1 3.05Å; N230-W274 HydrophobicContact CB-CD2 3.67Å; N230-W274 HydrophobicContact CB-CE3 3.77Å; N230-W274 HydrophobicContact CB-CG 4.17Å; N230-W274 HydrophobicContact CB-CH2 4.1Å; N230-W274 HydrophobicContact CB-CZ2 4.02Å; N230-W274 HydrophobicContact CB-CZ3 3.98Å; N230-W274 WeakPolarHBondContact ND2-CZ3 3.45Å; A238-W274 HydrophobicContact CB-CZ2 3.89Å; I249-W274 HydrophobicContact CD1-CH2 4.28Å; I249-W274 HydrophobicContact CD1-CZ2 4.08Å; I249-W274 HydrophobicContact CG2-CH2 4.23Å; I249-W274 HydrophobicContact CG2-CZ2 4.43Å; W274-I282 HydrophobicContact CD2-CB 4.17Å; W274-I282 HydrophobicContact CD2-CD1 3.86Å; W274-I282 HydrophobicContact CD2-CG1 4.02Å; W274-I282 HydrophobicContact CE3-CB 3.89Å; W274-I282 HydrophobicContact CE3-CD1 4.29Å; W274-I282 HydrophobicContact CE3-CG1 4.27Å; W274-I282 HydrophobicContact CG-CD1 4.39Å; W274-I282 HydrophobicContact CG-CG1 4.32Å; W274-I282 HydrophobicContact CH2-CD1 4.24Å; W274-I282 HydrophobicContact CZ2-CD1 3.8Å; W274-I282 HydrophobicContact CZ3-CB 4.17Å; W274-I282 HydrophobicContact CZ3-CD1 4.46Å; W274-I296 HydrophobicContact CH2-CD1 3.31Å; W274-I296 HydrophobicContact CZ3-CD1 3.32Å; W274-I296 HydrophobicContact CZ3-CG1 4.42Å
275A97Very high97.3Very high0 Ų029.1 Ų29.10%015%0.152CC..  trans-65.8131.1174.300000110.3H277 S278 H281 W321A275-H277 PolarHBondContact O-N 2.81Å; A275-S278 VanDerWaalsContact O-O 3.07Å; A275-H281 HydrophobicContact CB-CB 3.6Å; A275-H281 WeakPolarHBondContact CB-O 3.38Å; A275-H281 PolarHBondContact N-O 2.92Å; A275-W321 HydrophobicContact CB-CD2 4.1Å; A275-W321 HydrophobicContact CB-CE3 3.98Å; A275-W321 HydrophobicContact CB-CH2 3.85Å; A275-W321 HydrophobicContact CB-CZ2 3.97Å; A275-W321 HydrophobicContact CB-CZ3 3.85Å
276P94.6Very high97.3Very high24 Ų2428.6 Ų28.616%0.15615%0.149CC..THydrogen-bonded Turntrans-74-15.9-179.629.6-34.8000112.3Q232 W321 A322 P326Q232-P276 PolarHBondContact NE2-O 2.91Å; P276-W321 HydrophobicContact CG-CG 4.22Å; P276-A322 WeakPolarHBondContact CG-O 3.12Å; P276-P326 HydrophobicContact CG-CB 4.11Å
277H94.1Very high97.3Very high93 Ų9321.2 Ų21.243%0.43113%0.125SC..THydrogen-bonded Turntrans-107.9-5.2-176.165.4-91.8000113.7A275 W321 P326A275-H277 PolarHBondContact O-N 2.81Å; H277-W321 AromaticContact CE1-CZ2 3.68Å; H277-P326 HydrophobicContact CB-CB 3.79Å; H277-P326 PolarHBondContact CE1-O 2.82Å; H277-P326 VanDerWaalsContact CE1-O 3.28Å; H277-P326 WeakPolarHBondContact ND1-CB 3.31Å; H277-P326 PolarHBondContact ND1-O 3.24Å
278S96.1Very high97.3Very high17 Ų1721.5 Ų21.512%0.11912%0.122CC..  trans-140.2132.8-175.3174.80000110.6A275 C280 H281A275-S278 VanDerWaalsContact O-O 3.07Å; S278-C280 PolarHBondContact O-N 3.23Å; S278-C280 PolarHBondContact OG-N 3.49Å; S278-C280 VanDerWaalsContact OG-N 3.14Å; S278-C280 PolarHBondContact OG-SG 2.92Å; S278-H281 PolarHBondContact OG-N 2.79Å; S278-H281 PolarHBondContact OG-ND1 2.77Å
279S96.1Very high97.4Very high62 Ų6223.4 Ų23.443%0.43413%0.128SC..SBendtrans-78.2-8.4173.160.70000113N230N230-S279 PolarHBondContact ND2-O 2.89Å
280C96.4Very high97.4Very high24 Ų2425.6 Ų25.616%0.16214%0.138CC..SBendtrans-115.50.2-177.664.50000114.1S278 D295 I296 Q297S278-C280 PolarHBondContact O-N 3.23Å; S278-C280 PolarHBondContact OG-N 3.49Å; S278-C280 VanDerWaalsContact OG-N 3.14Å; S278-C280 PolarHBondContact OG-SG 2.92Å; C280-D295 CarbonylContact O-C 3.55Å; C280-D295 WeakPolarHBondContact O-CA 3.44Å; C280-D295 PolarHBondContact SG-OD1 3.09Å; C280-I296 HydrophobicContact CB-CG1 4.19Å; C280-I296 WeakPolarHBondContact O-CG1 3.38Å; C280-I296 PolarHBondContact O-N 3.34Å; C280-Q297 HydrophobicContact CB-CB 4Å
281H97.5Very high97.4Very high45 Ų4523.7 Ų23.721%0.20813%0.129CC..EExtended strand (participates in β ladder)trans-107.3133.6178.2-61.4157.7000112.1A275 S278 W294A275-H281 HydrophobicContact CB-CB 3.6Å; A275-H281 WeakPolarHBondContact CB-O 3.38Å; A275-H281 PolarHBondContact N-O 2.92Å; S278-H281 PolarHBondContact OG-N 2.79Å; S278-H281 PolarHBondContact OG-ND1 2.77Å; H281-W294 WeakPolarHBondContact CA-O 3.25Å
282I98.1Very high97.5Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-139.4139.3176.5-171.3175.3000109.2A238 I249 L262 I272 W274 I293 W294 I296A238-I282 HydrophobicContact CB-CD1 3.68Å; I249-I282 HydrophobicContact CD1-CD1 3.95Å; L262-I282 HydrophobicContact CD1-CG2 3.78Å; I272-I282 HydrophobicContact CG2-CD1 3.53Å; I272-I282 HydrophobicContact CG2-CG1 3.94Å; W274-I282 HydrophobicContact CD2-CB 4.17Å; W274-I282 HydrophobicContact CD2-CD1 3.86Å; W274-I282 HydrophobicContact CD2-CG1 4.02Å; W274-I282 HydrophobicContact CE3-CB 3.89Å; W274-I282 HydrophobicContact CE3-CD1 4.29Å; W274-I282 HydrophobicContact CE3-CG1 4.27Å; W274-I282 HydrophobicContact CG-CD1 4.39Å; W274-I282 HydrophobicContact CG-CG1 4.32Å; W274-I282 HydrophobicContact CH2-CD1 4.24Å; W274-I282 HydrophobicContact CZ2-CD1 3.8Å; W274-I282 HydrophobicContact CZ3-CB 4.17Å; W274-I282 HydrophobicContact CZ3-CD1 4.46Å; I282-I293 WeakPolarHBondContact O-CA 3.49Å; I282-W294 HydrophobicContact CG2-CB 3.77Å; I282-W294 HydrophobicContact CG2-CG 4.25Å; I282-W294 PolarHBondContact N-O 3.43Å; I282-W294 PolarHBondContact O-N 3.35Å; I282-I296 HydrophobicContact CG2-CG2 4.06Å
283C98.4Very high97.5Very high1 Ų123.3 Ų23.31%0.00713%0.126CC..EExtended strand (participates in β ladder)trans-104.4135.7172.7-168.80000109.7I272 A273 L292 V319 W321 I329I272-C283 WeakPolarHBondContact CA-O 3.36Å; A273-C283 PolarHBondContact N-O 2.91Å; A273-C283 PolarHBondContact O-N 3.32Å; C283-L292 CarbonylContact C-O 3.56Å; C283-L292 VanDerWaalsContact CA-O 3.28Å; C283-L292 WeakPolarHBondContact CA-O 3.31Å; C283-V319 HydrophobicContact CB-CG2 4.43Å; C283-W321 HydrophobicContact CB-CE3 3.94Å; C283-W321 HydrophobicContact CB-CZ3 3.81Å; C283-I329 HydrophobicContact CB-CD1 3.92Å
284T98.6Very high97.5Very high0 Ų023.1 Ų23.10%012%0.124CC..EExtended strand (participates in β ladder)trans-120.8150.3171.761.80000109.4V247 L262 H265 G271 A291 L292 W294V247-T284 HydrophobicContact CB-CG2 4.25Å; V247-T284 HydrophobicContact CG2-CG2 3.65Å; L262-T284 HydrophobicContact CD1-CG2 4.41Å; H265-T284 WeakPolarHBondContact NE2-CB 3.46Å; H265-T284 PolarHBondContact NE2-OG1 3.49Å; G271-T284 CarbonylContact O-C 3.41Å; G271-T284 WeakPolarHBondContact O-CA 3.32Å; T284-A291 CarbonylContact O-C 3.6Å; T284-A291 VanDerWaalsContact O-CA 3.26Å; T284-A291 WeakPolarHBondContact O-CA 3.28Å; T284-L292 PolarHBondContact N-O 3.05Å; T284-L292 PolarHBondContact O-N 3Å; T284-W294 PolarHBondContact OG1-NE1 3.06Å
285A98.4Very high97.5Very high0 Ų024.8 Ų24.80%013%0.134CC..EExtended strand (participates in β ladder)trans-142143.5179.600000111.3V269 N270 G271 Q290 I316 V319V269-A285 WeakPolarHBondContact CG1-O 3.19Å; N270-A285 PolarHBondContact N-O 3.5Å; G271-A285 PolarHBondContact N-O 2.88Å; G271-A285 VanDerWaalsContact N-O 3.09Å; G271-A285 PolarHBondContact O-N 2.81Å; A285-Q290 WeakPolarHBondContact CA-O 3.49Å; A285-I316 HydrophobicContact CB-CB 3.94Å; A285-I316 HydrophobicContact CB-CD1 4.41Å; A285-I316 HydrophobicContact CB-CG2 3.54Å; A285-V319 HydrophobicContact CB-CB 3.86Å; A285-V319 HydrophobicContact CB-CG1 3.88Å
286A98.5Very high97.4Very high0 Ų024.9 Ų24.90%013%0.134CC..EExtended strand (participates in β ladder)trans-147173.2-166.500000114H265 C268 V269 D288 H289 Q290 I316H265-A286 HydrophobicContact CB-CB 4.27Å; H265-A286 VanDerWaalsContact ND1-CB 3.29Å; H265-A286 WeakPolarHBondContact ND1-CB 3.37Å; C268-A286 CarbonylContact O-C 3.54Å; C268-A286 WeakPolarHBondContact O-CA 3.25Å; C268-A286 WeakPolarHBondContact O-CB 3.28Å; V269-A286 HydrophobicContact CG2-CB 4.45Å; A286-D288 WeakPolarHBondContact CB-OD1 3.41Å; A286-D288 PolarHBondContact O-N 2.96Å; A286-H289 PolarHBondContact O-N 3.4Å; A286-Q290 PolarHBondContact N-O 2.86Å; A286-I316 PolarHBondContact O-N 3.49Å; A286-I316 VanDerWaalsContact O-N 3.13Å
287D98.3Very high97.4Very high43 Ų4330.7 Ų30.723%0.2316%0.159CC..THydrogen-bonded Turntrans-67.7-9.1174.4-71.5-17.7000113.5A267 C268 N270 H289 E315A267-D287 HydrophobicContact CB-CB 3.59Å; C268-D287 PolarHBondContact O-N 3.09Å; N270-D287 PolarHBondContact ND2-OD1 3.3Å; D287-H289 PolarHBondContact O-CD2 3.17Å; D287-H289 VanDerWaalsContact O-CD2 3.24Å; D287-H289 PolarHBondContact O-N 2.82Å; D287-H289 VanDerWaalsContact O-N 3.15Å; D287-E315 HydrophobicContact CB-CG 4.16Å
288D98.4Very high97.1Very high31 Ų3131.9 Ų31.917%0.16617%0.165CC..THydrogen-bonded Turntrans-79.511.8173.962.68.9000112.7H265 R266 A267 A286 Q290H265-D288 WeakPolarHBondContact CA-OD2 3.16Å; H265-D288 WeakPolarHBondContact CB-OD2 3.5Å; H265-D288 IonicContact CE1-OD1 2.89Å; H265-D288 IonicContact CG-OD2 3.64Å; H265-D288 IonicContact ND1-OD1 2.89Å; H265-D288 PolarHBondContact ND1-OD1 3.46Å; H265-D288 IonicContact ND1-OD2 3.33Å; H265-D288 PolarHBondContact ND1-OD2 3.24Å; R266-D288 HydrophobicContact CB-CB 4.02Å; R266-D288 PolarHBondContact N-OD2 3.28Å; A267-D288 HydrophobicContact CB-CB 4.02Å; A286-D288 WeakPolarHBondContact CB-OD1 3.41Å; A286-D288 PolarHBondContact O-N 2.96Å; D288-Q290 WeakPolarHBondContact O-CG 3.44Å; D288-Q290 PolarHBondContact O-N 3.23Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.46Å; D288-Q290 VanDerWaalsContact OD1-CB 3.23Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.37Å; D288-Q290 PolarHBondContact OD1-N 3.21Å
289H98.4Very high96.9Very high70 Ų7032.8 Ų32.832%0.32417%0.168SC..SBendtrans63.611.8-174.7-47.2177.2000113.3A286 D287 T311 A312 G314 E315A286-H289 PolarHBondContact O-N 3.4Å; D287-H289 PolarHBondContact O-CD2 3.17Å; D287-H289 VanDerWaalsContact O-CD2 3.24Å; D287-H289 PolarHBondContact O-N 2.82Å; D287-H289 VanDerWaalsContact O-N 3.15Å; H289-T311 HydrophobicContact CB-CG2 4.35Å; H289-T311 CarbonylContact O-C 3.54Å; H289-T311 WeakPolarHBondContact O-CA 3.42Å; H289-A312 PolarHBondContact O-N 3.41Å; H289-G314 WeakPolarHBondContact CA-O 3.28Å; H289-G314 WeakPolarHBondContact CB-O 3.46Å; H289-E315 PolarHBondContact CD2-N 2.78Å; H289-E315 VanDerWaalsContact CD2-N 3.27Å
290Q98.3Very high96.3Very high50 Ų5035.4 Ų35.423%0.23418%0.183CC..EExtended strand (participates in β ladder)trans-101.1139.1-176.7-55.7-153.5-43.900112.8H265 A285 A286 D288 L292 Y310H265-Q290 PolarHBondContact CE1-O 2.93Å; A285-Q290 WeakPolarHBondContact CA-O 3.49Å; A286-Q290 PolarHBondContact N-O 2.86Å; D288-Q290 WeakPolarHBondContact O-CG 3.44Å; D288-Q290 PolarHBondContact O-N 3.23Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.46Å; D288-Q290 VanDerWaalsContact OD1-CB 3.23Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.37Å; D288-Q290 PolarHBondContact OD1-N 3.21Å; Q290-L292 HydrophobicContact CB-CD2 4.07Å; Q290-L292 HydrophobicContact CB-CG 4.29Å; Q290-Y310 VanDerWaalsContact CA-O 3.24Å; Q290-Y310 WeakPolarHBondContact CA-O 3.43Å
291A98.3Very high95.9Very high6 Ų642.4 Ų42.45%0.0521%0.206CC..EExtended strand (participates in β ladder)trans-108.6121.4158.600000108.5T284 A309 Y310 I316 I331T284-A291 CarbonylContact O-C 3.6Å; T284-A291 VanDerWaalsContact O-CA 3.26Å; T284-A291 WeakPolarHBondContact O-CA 3.28Å; A291-A309 WeakPolarHBondContact O-CA 3.29Å; A291-Y310 PolarHBondContact N-O 3.09Å; A291-Y310 PolarHBondContact O-N 3.47Å; A291-I316 HydrophobicContact CB-CD1 3.9Å; A291-I331 HydrophobicContact CB-CG2 4.27Å
292L98.4Very high95.4Very high1 Ų143.8 Ų43.81%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-113.7129.6-175.1-58.8-177.2000109.9N264 C283 T284 Q290 W294 P306 L308 A309N264-L292 HydrophobicContact CB-CD1 4.33Å; C283-L292 CarbonylContact C-O 3.56Å; C283-L292 VanDerWaalsContact CA-O 3.28Å; C283-L292 WeakPolarHBondContact CA-O 3.31Å; T284-L292 PolarHBondContact N-O 3.05Å; T284-L292 PolarHBondContact O-N 3Å; Q290-L292 HydrophobicContact CB-CD2 4.07Å; Q290-L292 HydrophobicContact CB-CG 4.29Å; L292-W294 HydrophobicContact CB-CZ2 4.12Å; L292-W294 HydrophobicContact CD1-CH2 4.35Å; L292-W294 HydrophobicContact CD1-CZ2 3.66Å; L292-W294 PolarHBondContact O-NE1 3.17Å; L292-P306 HydrophobicContact CB-CB 3.98Å; L292-P306 HydrophobicContact CB-CG 4.37Å; L292-P306 HydrophobicContact CD1-CG 4.25Å; L292-P306 HydrophobicContact CD2-CB 4.41Å; L292-P306 HydrophobicContact CD2-CG 3.99Å; L292-P306 HydrophobicContact CG-CG 4.43Å; L292-L308 WeakPolarHBondContact CA-O 3.4Å; L292-A309 HydrophobicContact CD2-CB 3.52Å
293I98.1Very high95.1Very high11 Ų1144.6 Ų44.66%0.05623%0.23CC..EExtended strand (participates in β ladder)trans-101.7128.8171.5-53.6-177.3000108.5I282 P306 I307 L308 W321 I329 V342I282-I293 WeakPolarHBondContact O-CA 3.49Å; I293-P306 CarbonylContact O-C 3.5Å; I293-P306 WeakPolarHBondContact O-CA 3.46Å; I293-P306 VanDerWaalsContact O-CB 3.28Å; I293-P306 WeakPolarHBondContact O-CB 3.24Å; I293-I307 HydrophobicContact CB-CG1 4.28Å; I293-I307 HydrophobicContact CG2-CD1 4.05Å; I293-I307 HydrophobicContact CG2-CG1 4.02Å; I293-I307 VanDerWaalsContact O-CG1 3.24Å; I293-I307 WeakPolarHBondContact O-CG1 3.38Å; I293-I307 PolarHBondContact O-N 2.96Å; I293-L308 HydrophobicContact CB-CB 3.97Å; I293-L308 HydrophobicContact CD1-CB 4.14Å; I293-L308 HydrophobicContact CD1-CD2 3.63Å; I293-L308 HydrophobicContact CD1-CG 4.49Å; I293-L308 HydrophobicContact CG1-CB 4.17Å; I293-L308 HydrophobicContact CG1-CD2 4.39Å; I293-L308 PolarHBondContact N-O 2.85Å; I293-L308 PolarHBondContact O-N 3.37Å; I293-W321 HydrophobicContact CD1-CH2 4.1Å; I293-W321 HydrophobicContact CG2-CH2 4.26Å; I293-I329 HydrophobicContact CD1-CD1 3.93Å; I293-I329 HydrophobicContact CG1-CD1 4.35Å; I293-V342 HydrophobicContact CD1-CB 3.71Å; I293-V342 HydrophobicContact CD1-CG1 3.68Å; I293-V342 HydrophobicContact CD1-CG2 4.26Å
294W98.1Very high94.6Very high0 Ų051.6 Ų51.60%026%0.262CS..EExtended strand (participates in β ladder)trans-112.3143.2-177.4-50.983.4000110.3L262 N264 H281 I282 T284 L292 I296 I303 P306L262-W294 HydrophobicContact CB-CD2 4.04Å; L262-W294 HydrophobicContact CB-CE3 4.2Å; L262-W294 HydrophobicContact CB-CH2 3.99Å; L262-W294 HydrophobicContact CB-CZ2 3.9Å; L262-W294 HydrophobicContact CB-CZ3 4.17Å; L262-W294 HydrophobicContact CD1-CB 4.18Å; L262-W294 HydrophobicContact CD1-CD2 4.04Å; L262-W294 HydrophobicContact CD1-CG 3.78Å; L262-W294 HydrophobicContact CD2-CB 4.38Å; L262-W294 HydrophobicContact CD2-CD2 4.06Å; L262-W294 HydrophobicContact CD2-CE3 3.92Å; L262-W294 HydrophobicContact CD2-CG 4.29Å; L262-W294 HydrophobicContact CD2-CZ3 4.44Å; L262-W294 HydrophobicContact CG-CD2 4.27Å; L262-W294 HydrophobicContact CG-CE3 4.49Å; L262-W294 HydrophobicContact CG-CG 4.46Å; N264-W294 HydrophobicContact CB-CH2 3.43Å; N264-W294 VanDerWaalsContact CB-CH2 3.43Å; N264-W294 HydrophobicContact CB-CZ2 4.22Å; N264-W294 HydrophobicContact CB-CZ3 4.21Å; H281-W294 WeakPolarHBondContact CA-O 3.25Å; I282-W294 HydrophobicContact CG2-CB 3.77Å; I282-W294 HydrophobicContact CG2-CG 4.25Å; I282-W294 PolarHBondContact N-O 3.43Å; I282-W294 PolarHBondContact O-N 3.35Å; T284-W294 PolarHBondContact OG1-NE1 3.06Å; L292-W294 HydrophobicContact CB-CZ2 4.12Å; L292-W294 HydrophobicContact CD1-CH2 4.35Å; L292-W294 HydrophobicContact CD1-CZ2 3.66Å; L292-W294 PolarHBondContact O-NE1 3.17Å; W294-I296 HydrophobicContact CB-CG2 4.39Å; W294-I303 HydrophobicContact CE3-CG2 3.95Å; W294-I303 HydrophobicContact CZ3-CG2 4.48Å; W294-P306 HydrophobicContact CD2-CB 4.04Å; W294-P306 HydrophobicContact CE3-CB 4.04Å; W294-P306 HydrophobicContact CZ3-CB 4.33Å
295D96.8Very high94.3Very high42 Ų4256.8 Ų56.823%0.22529%0.29CS..EExtended strand (participates in β ladder)trans-105.7115.5165.2-177.62.8000109.4C280 Q297 I307C280-D295 CarbonylContact O-C 3.55Å; C280-D295 WeakPolarHBondContact O-CA 3.44Å; C280-D295 PolarHBondContact SG-OD1 3.09Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.42Å; D295-Q297 PolarHBondContact OD1-N 2.57Å; D295-I307 HydrophobicContact CB-CD1 4.18Å; D295-I307 HydrophobicContact CB-CG1 4.48Å; D295-I307 HydrophobicContact CB-CG2 3.73Å
296I95.3Very high94.2Very high2 Ų258.1 Ų58.11%0.0130%0.299CS..  trans-100.811.7-177.276.2175000112.6I249 L262 W274 C280 I282 W294 Q298 M299 I303I249-I296 HydrophobicContact CG2-CD1 4.48Å; L262-I296 HydrophobicContact CD2-CG2 4.36Å; W274-I296 HydrophobicContact CH2-CD1 3.31Å; W274-I296 HydrophobicContact CZ3-CD1 3.32Å; W274-I296 HydrophobicContact CZ3-CG1 4.42Å; C280-I296 HydrophobicContact CB-CG1 4.19Å; C280-I296 WeakPolarHBondContact O-CG1 3.38Å; C280-I296 PolarHBondContact O-N 3.34Å; I282-I296 HydrophobicContact CG2-CG2 4.06Å; W294-I296 HydrophobicContact CB-CG2 4.39Å; I296-Q298 PolarHBondContact O-N 2.79Å; I296-Q298 VanDerWaalsContact O-N 3.11Å; I296-M299 HydrophobicContact CB-CE 3.88Å; I296-M299 HydrophobicContact CB-CG 4.05Å; I296-M299 HydrophobicContact CB-SD 3.86Å; I296-M299 HydrophobicContact CD1-CE 3.32Å; I296-M299 HydrophobicContact CD1-SD 3.9Å; I296-M299 HydrophobicContact CG1-CE 3.53Å; I296-M299 HydrophobicContact CG1-SD 4.16Å; I296-M299 WeakPolarHBondContact O-CB 3.26Å; I296-M299 WeakPolarHBondContact O-CE 3.47Å; I296-M299 WeakPolarHBondContact O-CG 3.44Å; I296-M299 PolarHBondContact O-N 3.14Å; I296-M299 VanDerWaalsContact O-N 3.11Å; I296-I303 HydrophobicContact CB-CD1 3.7Å; I296-I303 HydrophobicContact CG2-CD1 3.62Å
297Q94.1Very high94.2Very high147 Ų14762.9 Ų62.969%0.68732%0.323SS*.THydrogen-bonded Turntrans-56.9-30.4-178.2-174.6179.431.700113C280 D295 M299C280-Q297 HydrophobicContact CB-CB 4Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.42Å; D295-Q297 PolarHBondContact OD1-N 2.57Å; Q297-M299 VanDerWaalsContact C-N 3.29Å; Q297-M299 PolarHBondContact O-N 3.23Å
298Q89.4Confident94.1Very high117 Ų11764.5 Ų64.555%0.54733%0.331SS..THydrogen-bonded Turntrans-83.42.2-177-59.3-170.226.500114.1I296 R301I296-Q298 PolarHBondContact O-N 2.79Å; I296-Q298 VanDerWaalsContact O-N 3.11Å; Q298-R301 HydrophobicContact CB-CB 4.3Å; Q298-R301 WeakPolarHBondContact O-CA 3.45Å; Q298-R301 WeakPolarHBondContact O-CB 3.39Å; Q298-R301 PolarHBondContact O-N 2.95Å
299M90.6Very high94Very high37 Ų3765.6 Ų65.618%0.18235%0.345CS..THydrogen-bonded Turntrans-53.2141.1176.2-74.5-174.8-51.100111.9Y236 I249 V259 A260 I296 Q297 I303Y236-M299 HydrophobicContact CD1-CE 4.32Å; Y236-M299 HydrophobicContact CE1-CE 4.01Å; I249-M299 HydrophobicContact CB-SD 4.45Å; I249-M299 HydrophobicContact CG2-SD 4Å; V259-M299 HydrophobicContact CG2-SD 3.93Å; A260-M299 HydrophobicContact CB-CG 3.94Å; A260-M299 HydrophobicContact CB-SD 3.73Å; I296-M299 HydrophobicContact CB-CE 3.88Å; I296-M299 HydrophobicContact CB-CG 4.05Å; I296-M299 HydrophobicContact CB-SD 3.86Å; I296-M299 HydrophobicContact CD1-CE 3.32Å; I296-M299 HydrophobicContact CD1-SD 3.9Å; I296-M299 HydrophobicContact CG1-CE 3.53Å; I296-M299 HydrophobicContact CG1-SD 4.16Å; I296-M299 WeakPolarHBondContact O-CB 3.26Å; I296-M299 WeakPolarHBondContact O-CE 3.47Å; I296-M299 WeakPolarHBondContact O-CG 3.44Å; I296-M299 PolarHBondContact O-N 3.14Å; I296-M299 VanDerWaalsContact O-N 3.11Å; Q297-M299 VanDerWaalsContact C-N 3.29Å; Q297-M299 PolarHBondContact O-N 3.23Å; M299-I303 HydrophobicContact CG-CD1 4.02Å
300P84.2Confident94Very high116 Ų11664.4 Ų64.475%0.75334%0.338SS*.THydrogen-bonded Turncis-88.3147.737.1-37.3000114
301R88Confident93.9Very high172 Ų17266 Ų6665%0.64935%0.351SS*.SBendtrans-60.8141.7172.1-168.2-178.7178.7178.80.5109.1Q298 I303Q298-R301 HydrophobicContact CB-CB 4.3Å; Q298-R301 WeakPolarHBondContact O-CA 3.45Å; Q298-R301 WeakPolarHBondContact O-CB 3.39Å; Q298-R301 PolarHBondContact O-N 2.95Å; R301-I303 PolarHBondContact O-N 2.92Å
302A86.1Confident93.9Very high74 Ų7466 Ų6661%0.61235%0.351SS*.  trans-54.6136.2175.500000110.9
303I91.8Very high93.8Very high17 Ų1772.5 Ų72.59%0.08738%0.381CS..  trans-101.2104.4176.1-58.7158.1000105.5A260 L262 W294 I296 M299 R301A260-I303 HydrophobicContact CB-CD1 4.11Å; L262-I303 HydrophobicContact CD2-CB 4.23Å; L262-I303 HydrophobicContact CD2-CD1 3.73Å; L262-I303 HydrophobicContact CD2-CG2 4.25Å; W294-I303 HydrophobicContact CE3-CG2 3.95Å; W294-I303 HydrophobicContact CZ3-CG2 4.48Å; I296-I303 HydrophobicContact CB-CD1 3.7Å; I296-I303 HydrophobicContact CG2-CD1 3.62Å; M299-I303 HydrophobicContact CG-CD1 4.02Å; R301-I303 PolarHBondContact O-N 2.92Å
304E87.6Confident93.8Very high148 Ų14872.2 Ų72.269%0.69238%0.381SS*.  trans-82.1-42.2-171.7-64.1-179.8176.600111.7N264N264-E304 PolarHBondContact ND2-O 3.32Å
305D93.6Very high93.8Very high109 Ų10976.7 Ų76.758%0.58340%0.402SS*.SBendtrans-131.3145.1-173.4-68.9-63.2000112.6N264N264-D305 PolarHBondContact ND2-OD1 2.98Å; N264-D305 VanDerWaalsContact ND2-OD1 3.13Å
306P96.8Very high93.9Very high28 Ų2874.7 Ų74.718%0.18239%0.391CS..  trans-67150.1168.131.1-35.5000110.6N264 L292 I293 W294N264-P306 WeakPolarHBondContact ND2-CD 3.31Å; L292-P306 HydrophobicContact CB-CB 3.98Å; L292-P306 HydrophobicContact CB-CG 4.37Å; L292-P306 HydrophobicContact CD1-CG 4.25Å; L292-P306 HydrophobicContact CD2-CB 4.41Å; L292-P306 HydrophobicContact CD2-CG 3.99Å; L292-P306 HydrophobicContact CG-CG 4.43Å; I293-P306 CarbonylContact O-C 3.5Å; I293-P306 WeakPolarHBondContact O-CA 3.46Å; I293-P306 VanDerWaalsContact O-CB 3.28Å; I293-P306 WeakPolarHBondContact O-CB 3.24Å; W294-P306 HydrophobicContact CD2-CB 4.04Å; W294-P306 HydrophobicContact CE3-CB 4.04Å; W294-P306 HydrophobicContact CZ3-CB 4.33Å
307I96.6Very high93.9Very high99 Ų9977.2 Ų77.251%0.50841%0.405SS..SBendtrans-80.9-21.8177.358.4160.7000112.7I293 D295I293-I307 HydrophobicContact CB-CG1 4.28Å; I293-I307 HydrophobicContact CG2-CD1 4.05Å; I293-I307 HydrophobicContact CG2-CG1 4.02Å; I293-I307 VanDerWaalsContact O-CG1 3.24Å; I293-I307 WeakPolarHBondContact O-CG1 3.38Å; I293-I307 PolarHBondContact O-N 2.96Å; D295-I307 HydrophobicContact CB-CD1 4.18Å; D295-I307 HydrophobicContact CB-CG1 4.48Å; D295-I307 HydrophobicContact CB-CG2 3.73Å
308L96.4Very high94Very high78 Ų7871.9 Ų71.941%0.40838%0.381SS..EExtended strand (participates in β ladder)trans-144.5143.5175.2-165.273.1000109.9L292 I293 V342L292-L308 WeakPolarHBondContact CA-O 3.4Å; I293-L308 HydrophobicContact CB-CB 3.97Å; I293-L308 HydrophobicContact CD1-CB 4.14Å; I293-L308 HydrophobicContact CD1-CD2 3.63Å; I293-L308 HydrophobicContact CD1-CG 4.49Å; I293-L308 HydrophobicContact CG1-CB 4.17Å; I293-L308 HydrophobicContact CG1-CD2 4.39Å; I293-L308 PolarHBondContact N-O 2.85Å; I293-L308 PolarHBondContact O-N 3.37Å; L308-V342 HydrophobicContact CD2-CB 4.34Å; L308-V342 HydrophobicContact CD2-CG1 4.2Å
309A96.9Very high94.4Very high54 Ų5466.3 Ų66.345%0.44636%0.355SS..EExtended strand (participates in β ladder)trans-131.4134.317200000110.1A291 L292A291-A309 WeakPolarHBondContact O-CA 3.29Å; L292-A309 HydrophobicContact CD2-CB 3.52Å
310Y97.6Very high94.7Very high45 Ų4567 Ų6718%0.17636%0.357CS..EExtended strand (participates in β ladder)trans-116.8146168.9179.4-101.6000109.3I10 Q290 A291 A312 I331 E338 L340I10-Y310 HydrophobicContact CD1-CE2 3.74Å; Q290-Y310 VanDerWaalsContact CA-O 3.24Å; Q290-Y310 WeakPolarHBondContact CA-O 3.43Å; A291-Y310 PolarHBondContact N-O 3.09Å; A291-Y310 PolarHBondContact O-N 3.47Å; Y310-A312 HydrophobicContact CE1-CB 4.02Å; Y310-I331 HydrophobicContact CD1-CD1 3.81Å; Y310-I331 HydrophobicContact CE1-CD1 3.49Å; Y310-I331 VanDerWaalsContact CE1-CD1 3.49Å; Y310-E338 PolarHBondContact OH-OE2 3.33Å; Y310-L340 HydrophobicContact CD1-CD1 3.49Å; Y310-L340 VanDerWaalsContact CD1-CD1 3.49Å; Y310-L340 HydrophobicContact CD1-CD2 4.49Å; Y310-L340 HydrophobicContact CD2-CD1 4.13Å; Y310-L340 HydrophobicContact CD2-CD2 4.36Å; Y310-L340 HydrophobicContact CE1-CD1 3.79Å; Y310-L340 HydrophobicContact CE1-CD2 4.04Å; Y310-L340 HydrophobicContact CE2-CD1 4.4Å; Y310-L340 HydrophobicContact CE2-CD2 3.92Å; Y310-L340 HydrophobicContact CG-CD1 3.65Å
311T97.8Very high95.4Very high84 Ų8462.6 Ų62.652%0.51533%0.326SS..EExtended strand (participates in β ladder)trans-122.8114.4176.9-56.40000108.6H289H289-T311 HydrophobicContact CB-CG2 4.35Å; H289-T311 CarbonylContact O-C 3.54Å; H289-T311 WeakPolarHBondContact O-CA 3.42Å
312A97.7Very high95.8Very high6 Ų654.4 Ų54.45%0.0530%0.295CS..  trans-80.4173.1176.500000111.4H289 Y310 G314 I316 I331 Y333H289-A312 PolarHBondContact O-N 3.41Å; Y310-A312 HydrophobicContact CE1-CB 4.02Å; A312-G314 PolarHBondContact O-N 2.95Å; A312-I316 HydrophobicContact CB-CD1 3.88Å; A312-I316 HydrophobicContact CB-CG1 3.85Å; A312-I331 HydrophobicContact CB-CD1 4.01Å; A312-Y333 HydrophobicContact CB-CD1 3.81Å; A312-Y333 HydrophobicContact CB-CE1 3.92Å; A312-Y333 HydrophobicContact CB-CG 4.29Å
313E97.3Very high96.1Very high137 Ų13753.6 Ų53.664%0.6429%0.285SS*.SBendtrans-84.65.2177.1-59.3176.5146.200113.1K12 Y333K12-E313 IonicContact NZ-OE2 2.91Å; K12-E313 PolarHBondContact NZ-OE2 3.15Å; E313-Y333 HydrophobicContact CB-CE2 3.75Å; E313-Y333 PolarHBondContact OE2-OH 3.04Å
314G97.6Very high96.1Very high4 Ų454.9 Ų54.94%0.04129%0.294CS..SBendtrans-168.1179.5177.400000112.9H289 A312 I316H289-G314 WeakPolarHBondContact CA-O 3.28Å; H289-G314 WeakPolarHBondContact CB-O 3.46Å; A312-G314 PolarHBondContact O-N 2.95Å; G314-I316 PolarHBondContact O-N 3.3Å
315E98.1Very high96.4Very high95 Ų9548.4 Ų48.444%0.44426%0.263SS..  trans-58.5122.9178.1-65.9168.1175.100110.7D287 H289 N317 Y333D287-E315 HydrophobicContact CB-CG 4.16Å; H289-E315 PolarHBondContact CD2-N 2.78Å; H289-E315 VanDerWaalsContact CD2-N 3.27Å; E315-N317 PolarHBondContact O-N 2.61Å; E315-Y333 WeakPolarHBondContact O-CA 3.2Å; E315-Y333 WeakPolarHBondContact O-CB 3.47Å
316I98.3Very high96.4Very high0 Ų045.5 Ų45.50%025%0.25CS..EExtended strand (participates in β ladder)trans-85.9112.4-176.8-53179.6000108.7N270 A285 A286 A291 A312 G314 N318 I331N270-I316 WeakPolarHBondContact CB-O 3.47Å; N270-I316 PolarHBondContact ND2-O 2.92Å; A285-I316 HydrophobicContact CB-CB 3.94Å; A285-I316 HydrophobicContact CB-CD1 4.41Å; A285-I316 HydrophobicContact CB-CG2 3.54Å; A286-I316 PolarHBondContact O-N 3.49Å; A286-I316 VanDerWaalsContact O-N 3.13Å; A291-I316 HydrophobicContact CB-CD1 3.9Å; A312-I316 HydrophobicContact CB-CD1 3.88Å; A312-I316 HydrophobicContact CB-CG1 3.85Å; G314-I316 PolarHBondContact O-N 3.3Å; I316-N318 WeakPolarHBondContact CG2-O 3.38Å; I316-I331 HydrophobicContact CD1-CD1 4.01Å; I316-I331 HydrophobicContact CG2-CB 3.91Å; I316-I331 HydrophobicContact CG2-CG2 4.15Å
317N95.4Very high96.4Very high55 Ų5547.5 Ų47.529%0.29426%0.26SS..EExtended strand (participates in β ladder)trans-85.9-27.4-175.8-64.4-47.2000113E315 C332E315-N317 PolarHBondContact O-N 2.61Å; N317-C332 PolarHBondContact N-O 3.06Å
318N95.9Very high96.4Very high35 Ų3543.7 Ų43.719%0.18724%0.239CC..EExtended strand (participates in β ladder)trans-153.7148.5-176.2-152.2-45.2000110.6M22 I316 Q320 I331 C332M22-N318 VanDerWaalsContact CE-C 3.42Å; M22-N318 HydrophobicContact CE-CB 3.83Å; M22-N318 WeakPolarHBondContact CE-O 3.47Å; M22-N318 HydrophobicContact CG-CB 4.4Å; I316-N318 WeakPolarHBondContact CG2-O 3.38Å; N318-Q320 PolarHBondContact OD1-NE2 2.98Å; N318-I331 WeakPolarHBondContact O-CA 3.46Å; N318-C332 PolarHBondContact O-N 2.71Å; N318-C332 VanDerWaalsContact O-N 3.07Å
319V97.9Very high96.4Very high0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-139.1136.4175.365.10000109.7A273 C283 A285 I329 A330 I331A273-V319 HydrophobicContact CB-CG1 4.19Å; C283-V319 HydrophobicContact CB-CG2 4.43Å; A285-V319 HydrophobicContact CB-CB 3.86Å; A285-V319 HydrophobicContact CB-CG1 3.88Å; V319-I329 HydrophobicContact CG2-CG2 3.4Å; V319-I329 VanDerWaalsContact CG2-CG2 3.4Å; V319-A330 CarbonylContact C-O 3.57Å; V319-A330 VanDerWaalsContact CA-O 3.3Å; V319-A330 WeakPolarHBondContact CA-O 3.18Å; V319-I331 HydrophobicContact CB-CG2 4.25Å; V319-I331 HydrophobicContact CG2-CG2 3.86Å
320Q97.9Very high96.5Very high51 Ų5137.6 Ų37.624%0.23820%0.199CC..EExtended strand (participates in β ladder)trans-140.2129.8179-66.7-64.1-3900110.6M22 N23 W24 N318 A330M22-Q320 HydrophobicContact CG-CG 4.39Å; N23-Q320 PolarHBondContact ND2-OE1 3.06Å; W24-Q320 PolarHBondContact NE1-O 3.35Å; N318-Q320 PolarHBondContact OD1-NE2 2.98Å; Q320-A330 PolarHBondContact N-O 2.79Å; Q320-A330 PolarHBondContact O-N 3.48Å
321W97.3Very high96.5Very high23 Ų2335.4 Ų35.49%0.08719%0.191CC..EExtended strand (participates in β ladder)trans-87.9131.5173.8-147.7-52.7000110.3A273 A275 P276 H277 C283 I293 S323 P326 W328 I329 V342A273-W321 HydrophobicContact CB-CB 4.3Å; A275-W321 HydrophobicContact CB-CD2 4.1Å; A275-W321 HydrophobicContact CB-CE3 3.98Å; A275-W321 HydrophobicContact CB-CH2 3.85Å; A275-W321 HydrophobicContact CB-CZ2 3.97Å; A275-W321 HydrophobicContact CB-CZ3 3.85Å; P276-W321 HydrophobicContact CG-CG 4.22Å; H277-W321 AromaticContact CE1-CZ2 3.68Å; C283-W321 HydrophobicContact CB-CE3 3.94Å; C283-W321 HydrophobicContact CB-CZ3 3.81Å; I293-W321 HydrophobicContact CD1-CH2 4.1Å; I293-W321 HydrophobicContact CG2-CH2 4.26Å; W321-S323 PolarHBondContact O-N 2.73Å; W321-P326 PolarHBondContact NE1-O 2.75Å; W321-W328 VanDerWaalsContact CD1-O 3.23Å; W321-I329 HydrophobicContact CD2-CD1 3.85Å; W321-I329 HydrophobicContact CD2-CG1 3.64Å; W321-I329 HydrophobicContact CE3-CD1 3.58Å; W321-I329 HydrophobicContact CE3-CG1 3.92Å; W321-I329 HydrophobicContact CG-CG1 4.04Å; W321-I329 HydrophobicContact CH2-CD1 3.72Å; W321-I329 HydrophobicContact CH2-CG1 4.37Å; W321-I329 HydrophobicContact CZ2-CD1 3.96Å; W321-I329 HydrophobicContact CZ2-CG1 4.12Å; W321-I329 HydrophobicContact CZ3-CD1 3.53Å; W321-I329 HydrophobicContact CZ3-CG1 4.28Å; W321-V342 HydrophobicContact CH2-CG2 4.13Å; W321-V342 HydrophobicContact CZ2-CG2 3.5Å; W321-V342 VanDerWaalsContact CZ2-CG2 3.5Å
322A96.5Very high96.5Very high0 Ų031.4 Ų31.40%017%0.166CC..  trans-72.8115.5179.200000111.3W24 P276 T324 Q325 P326 W328W24-A322 HydrophobicContact CD2-CB 3.64Å; W24-A322 HydrophobicContact CE3-CB 4.02Å; W24-A322 HydrophobicContact CG-CB 3.9Å; W24-A322 HydrophobicContact CH2-CB 4.4Å; W24-A322 HydrophobicContact CZ2-CB 4.08Å; W24-A322 HydrophobicContact CZ3-CB 4.36Å; P276-A322 WeakPolarHBondContact CG-O 3.12Å; A322-T324 VanDerWaalsContact C-N 3.35Å; A322-T324 PolarHBondContact O-N 2.9Å; A322-Q325 HydrophobicContact CB-CB 3.92Å; A322-Q325 WeakPolarHBondContact CB-O 3.29Å; A322-Q325 CarbonylContact O-C 3.58Å; A322-Q325 VanDerWaalsContact O-C 3.26Å; A322-Q325 PolarHBondContact O-N 3.21Å; A322-P326 WeakPolarHBondContact O-CA 3.33Å; A322-W328 HydrophobicContact CB-CB 4.25Å; A322-W328 WeakPolarHBondContact CB-O 3.46Å; A322-W328 PolarHBondContact N-O 2.98Å
323S92.7Very high96.5Very high58 Ų5831.2 Ų31.241%0.40616%0.164SC..SBendtrans-67.6-33.4179.659.90000113.3V26 W321V26-S323 VanDerWaalsContact CG1-OG 3.32Å; V26-S323 WeakPolarHBondContact CG1-OG 3.41Å; W321-S323 PolarHBondContact O-N 2.73Å
324T92.6Very high96.5Very high44 Ų4428.4 Ų28.427%0.2715%0.153SC..SBendtrans-91.6-13179.7520000113.1V26 A322V26-T324 HydrophobicContact CB-CG2 4.34Å; V26-T324 WeakPolarHBondContact O-CG2 3.07Å; A322-T324 VanDerWaalsContact C-N 3.35Å; A322-T324 PolarHBondContact O-N 2.9Å
325Q94.3Very high96.5Very high12 Ų1230.4 Ų30.46%0.05616%0.163CC..SBendtrans-132.473176.8-74.188.18000108.8F32 A322 D327 W328F32-Q325 HydrophobicContact CD1-CG 4.46Å; F32-Q325 HydrophobicContact CE1-CB 4.48Å; F32-Q325 HydrophobicContact CE1-CG 4.07Å; F32-Q325 HydrophobicContact CZ-CG 4.23Å; A322-Q325 HydrophobicContact CB-CB 3.92Å; A322-Q325 WeakPolarHBondContact CB-O 3.29Å; A322-Q325 CarbonylContact O-C 3.58Å; A322-Q325 VanDerWaalsContact O-C 3.26Å; A322-Q325 PolarHBondContact O-N 3.21Å; Q325-D327 PolarHBondContact O-N 2.86Å; Q325-W328 HydrophobicContact CB-CB 4.33Å; Q325-W328 HydrophobicContact CB-CG 4.35Å; Q325-W328 WeakPolarHBondContact O-CB 3.42Å; Q325-W328 PolarHBondContact O-N 3.47Å
326P93.7Very high96.5Very high47 Ų4726.1 Ų26.131%0.30514%0.143SC..THydrogen-bonded Turntrans-63-12.9-167.124.5-35.4000115.3P276 H277 W321 A322 W328P276-P326 HydrophobicContact CG-CB 4.11Å; H277-P326 HydrophobicContact CB-CB 3.79Å; H277-P326 PolarHBondContact CE1-O 2.82Å; H277-P326 VanDerWaalsContact CE1-O 3.28Å; H277-P326 WeakPolarHBondContact ND1-CB 3.31Å; H277-P326 PolarHBondContact ND1-O 3.24Å; W321-P326 PolarHBondContact NE1-O 2.75Å; A322-P326 WeakPolarHBondContact O-CA 3.33Å; P326-W328 PolarHBondContact O-N 3.41Å
327D94.9Very high96.5Very high71 Ų7126.1 Ų26.138%0.3814%0.143SC..THydrogen-bonded Turntrans-79.5-2.3172.7-684.5000112.6Q325 R341 V342Q325-D327 PolarHBondContact O-N 2.86Å; D327-R341 HydrophobicContact CB-CG 4.22Å; D327-R341 CarbonylContact O-C 3.26Å; D327-R341 VanDerWaalsContact O-CA 3.28Å; D327-R341 WeakPolarHBondContact O-CA 3.47Å; D327-R341 IonicContact OD2-CZ 3.86Å; D327-R341 IonicContact OD2-NE 3.67Å; D327-R341 IonicContact OD2-NH2 3.15Å; D327-R341 PolarHBondContact OD2-NH2 3.29Å; D327-R341 VanDerWaalsContact OD2-NH2 3.15Å; D327-V342 WeakPolarHBondContact O-CG2 3.3Å; D327-V342 PolarHBondContact O-N 2.95Å
328W97Very high96.6Very high19 Ų1924 Ų247%0.07213%0.132CC..EExtended strand (participates in β ladder)trans-122.7134.7-169-66.983000113.4E9 Y11 W24 F32 W321 A322 Q325 P326 I339 L340 R341E9-W328 HydrophobicContact CB-CH2 3.73Å; E9-W328 HydrophobicContact CB-CZ2 4.41Å; Y11-W328 AromaticContact CD2-CH2 3.64Å; Y11-W328 HydrophobicContact CD2-CH2 3.64Å; Y11-W328 AromaticContact CD2-CZ3 3.72Å; Y11-W328 HydrophobicContact CD2-CZ3 3.72Å; Y11-W328 AromaticContact CE2-CH2 3.34Å; Y11-W328 HydrophobicContact CE2-CH2 3.34Å; Y11-W328 HydrophobicContact CE2-CZ2 4.16Å; Y11-W328 AromaticContact CE2-CZ3 3.95Å; Y11-W328 HydrophobicContact CE2-CZ3 3.95Å; W24-W328 HydrophobicContact CH2-CB 4.39Å; W24-W328 HydrophobicContact CZ2-CB 4.42Å; F32-W328 AromaticContact CE1-CD1 3.8Å; F32-W328 AromaticContact CE1-CD2 3.78Å; F32-W328 HydrophobicContact CE1-CD2 3.78Å; F32-W328 AromaticContact CE1-CE2 3.65Å; F32-W328 HydrophobicContact CE1-CE3 4.49Å; F32-W328 AromaticContact CE1-CG 3.86Å; F32-W328 HydrophobicContact CE1-CG 3.86Å; F32-W328 HydrophobicContact CE1-CZ2 4.27Å; F32-W328 AromaticContact CE1-NE1 3.63Å; F32-W328 HydrophobicContact CZ-CZ2 4.49Å; F32-W328 AromaticContact CZ-NE1 3.92Å; W321-W328 VanDerWaalsContact CD1-O 3.23Å; A322-W328 HydrophobicContact CB-CB 4.25Å; A322-W328 WeakPolarHBondContact CB-O 3.46Å; A322-W328 PolarHBondContact N-O 2.98Å; Q325-W328 HydrophobicContact CB-CB 4.33Å; Q325-W328 HydrophobicContact CB-CG 4.35Å; Q325-W328 WeakPolarHBondContact O-CB 3.42Å; Q325-W328 PolarHBondContact O-N 3.47Å; P326-W328 PolarHBondContact O-N 3.41Å; W328-I339 HydrophobicContact CE3-CB 4.08Å; W328-I339 HydrophobicContact CE3-CD1 3.93Å; W328-I339 HydrophobicContact CE3-CG1 3.97Å; W328-I339 HydrophobicContact CZ3-CB 4.46Å; W328-I339 HydrophobicContact CZ3-CD1 4.02Å; W328-I339 HydrophobicContact CZ3-CG1 3.95Å; W328-L340 WeakPolarHBondContact CA-O 3.43Å; W328-R341 HydrophobicContact CD2-CB 4.3Å; W328-R341 HydrophobicContact CE3-CB 4.23Å; W328-R341 HydrophobicContact CH2-CB 3.86Å; W328-R341 HydrophobicContact CZ2-CB 3.96Å; W328-R341 HydrophobicContact CZ2-CG 4.28Å; W328-R341 HydrophobicContact CZ3-CB 4.01Å
329I97.8Very high96.7Very high3 Ų322.3 Ų22.32%0.01512%0.123CC..EExtended strand (participates in β ladder)trans-116.6141.4170.9-58.7-176.3000108.2C283 I293 V319 W321 I331 I339 L340 V342C283-I329 HydrophobicContact CB-CD1 3.92Å; I293-I329 HydrophobicContact CD1-CD1 3.93Å; I293-I329 HydrophobicContact CG1-CD1 4.35Å; V319-I329 HydrophobicContact CG2-CG2 3.4Å; V319-I329 VanDerWaalsContact CG2-CG2 3.4Å; W321-I329 HydrophobicContact CD2-CD1 3.85Å; W321-I329 HydrophobicContact CD2-CG1 3.64Å; W321-I329 HydrophobicContact CE3-CD1 3.58Å; W321-I329 HydrophobicContact CE3-CG1 3.92Å; W321-I329 HydrophobicContact CG-CG1 4.04Å; W321-I329 HydrophobicContact CH2-CD1 3.72Å; W321-I329 HydrophobicContact CH2-CG1 4.37Å; W321-I329 HydrophobicContact CZ2-CD1 3.96Å; W321-I329 HydrophobicContact CZ2-CG1 4.12Å; W321-I329 HydrophobicContact CZ3-CD1 3.53Å; W321-I329 HydrophobicContact CZ3-CG1 4.28Å; I329-I331 HydrophobicContact CG2-CG2 4.35Å; I329-I339 CarbonylContact O-C 3.53Å; I329-I339 VanDerWaalsContact O-CA 3.26Å; I329-I339 WeakPolarHBondContact O-CA 3.14Å; I329-L340 PolarHBondContact N-O 3.29Å; I329-L340 PolarHBondContact O-N 3.27Å; I329-V342 HydrophobicContact CD1-CB 4.43Å; I329-V342 HydrophobicContact CD1-CG1 3.8Å; I329-V342 HydrophobicContact CD1-CG2 4Å; I329-V342 HydrophobicContact CG1-CG1 4.05Å; I329-V342 HydrophobicContact CG1-CG2 3.93Å
330A98.3Very high96.6Very high0 Ų022.8 Ų22.80%013%0.125CC..EExtended strand (participates in β ladder)trans-103.3139.7165.900000109.8M22 W24 L34 V319 Q320 L337 E338 I339M22-A330 HydrophobicContact CE-CB 4.23Å; M22-A330 WeakPolarHBondContact CE-O 3.26Å; M22-A330 HydrophobicContact SD-CB 3.59Å; M22-A330 VanDerWaalsContact SD-CB 3.59Å; W24-A330 HydrophobicContact CZ2-CB 3.59Å; W24-A330 VanDerWaalsContact NE1-CB 3.31Å; L34-A330 HydrophobicContact CD2-CB 3.79Å; V319-A330 CarbonylContact C-O 3.57Å; V319-A330 VanDerWaalsContact CA-O 3.3Å; V319-A330 WeakPolarHBondContact CA-O 3.18Å; Q320-A330 PolarHBondContact N-O 2.79Å; Q320-A330 PolarHBondContact O-N 3.48Å; A330-L337 HydrophobicContact CB-CD1 3.98Å; A330-E338 CarbonylContact C-O 3.45Å; A330-E338 VanDerWaalsContact CA-O 3.3Å; A330-E338 WeakPolarHBondContact CA-O 2.94Å; A330-I339 HydrophobicContact CB-CG2 4Å
331I98.4Very high96.5Very high0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-126.5149.9169.259165.6000109.6M22 A291 Y310 A312 I316 N318 V319 I329 Y333 E338 L340M22-I331 VanDerWaalsContact CE-C 3.45Å; A291-I331 HydrophobicContact CB-CG2 4.27Å; Y310-I331 HydrophobicContact CD1-CD1 3.81Å; Y310-I331 HydrophobicContact CE1-CD1 3.49Å; Y310-I331 VanDerWaalsContact CE1-CD1 3.49Å; A312-I331 HydrophobicContact CB-CD1 4.01Å; I316-I331 HydrophobicContact CD1-CD1 4.01Å; I316-I331 HydrophobicContact CG2-CB 3.91Å; I316-I331 HydrophobicContact CG2-CG2 4.15Å; N318-I331 WeakPolarHBondContact O-CA 3.46Å; V319-I331 HydrophobicContact CB-CG2 4.25Å; V319-I331 HydrophobicContact CG2-CG2 3.86Å; I329-I331 HydrophobicContact CG2-CG2 4.35Å; I331-Y333 HydrophobicContact CD1-CD1 4.35Å; I331-Y333 HydrophobicContact CD1-CE1 4.45Å; I331-E338 HydrophobicContact CD1-CB 4.31Å; I331-E338 HydrophobicContact CG1-CB 3.87Å; I331-E338 PolarHBondContact N-O 3.28Å; I331-E338 PolarHBondContact O-N 2.99Å; I331-L340 HydrophobicContact CD1-CD1 3.98Å; I331-L340 HydrophobicContact CG1-CD1 4.23Å
332C97.6Very high96.2Very high0 Ų028.3 Ų28.30%015%0.153CC..EExtended strand (participates in β ladder)trans-126.7136.3171.9-72.10000110.6V19 M22 N317 N318 C336V19-C332 HydrophobicContact CB-CB 4.12Å; V19-C332 HydrophobicContact CG1-CB 3.9Å; V19-C332 WeakPolarHBondContact CG1-SG 3.28Å; M22-C332 HydrophobicContact CE-CB 3.89Å; M22-C332 VanDerWaalsContact CE-SG 3.52Å; M22-C332 HydrophobicContact SD-CB 4.43Å; M22-C332 PolarHBondContact SD-SG 3.34Å; N317-C332 PolarHBondContact N-O 3.06Å; N318-C332 PolarHBondContact O-N 2.71Å; N318-C332 VanDerWaalsContact O-N 3.07Å; C332-C336 VanDerWaalsContact CA-O 3.32Å; C332-C336 WeakPolarHBondContact CA-O 3.43Å
333Y97.6Very high96.2Very high2 Ų229.8 Ų29.81%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-149.1144175.363.1-89.3000108.4K12 A312 E313 E315 I331 N335 C336 E338K12-Y333 WeakPolarHBondContact CE-OH 2.95Å; K12-Y333 PolarHBondContact NZ-OH 2.71Å; A312-Y333 HydrophobicContact CB-CD1 3.81Å; A312-Y333 HydrophobicContact CB-CE1 3.92Å; A312-Y333 HydrophobicContact CB-CG 4.29Å; E313-Y333 HydrophobicContact CB-CE2 3.75Å; E313-Y333 PolarHBondContact OE2-OH 3.04Å; E315-Y333 WeakPolarHBondContact O-CA 3.2Å; E315-Y333 WeakPolarHBondContact O-CB 3.47Å; I331-Y333 HydrophobicContact CD1-CD1 4.35Å; I331-Y333 HydrophobicContact CD1-CE1 4.45Å; Y333-N335 PolarHBondContact O-N 3.48Å; Y333-C336 HydrophobicContact CD1-CB 4.41Å; Y333-C336 HydrophobicContact CD2-CB 4.2Å; Y333-C336 HydrophobicContact CE1-CB 4.01Å; Y333-C336 HydrophobicContact CE2-CB 3.77Å; Y333-C336 PolarHBondContact N-O 3.29Å; Y333-C336 VanDerWaalsContact N-O 3.13Å; Y333-C336 WeakPolarHBondContact O-CA 3.18Å; Y333-C336 WeakPolarHBondContact O-CB 3.35Å; Y333-C336 PolarHBondContact O-N 3.2Å; Y333-E338 HydrophobicContact CE1-CG 3.82Å; Y333-E338 PolarHBondContact OH-OE1 2.85Å
334N96.6Very high96.3Very high78 Ų7828.3 Ų28.342%0.41715%0.148SC..THydrogen-bonded Turntrans46.3-125.6-174.9-60.8-32.2000111.6T18 V19T18-N334 CarbonylContact C-O 3.46Å; T18-N334 VanDerWaalsContact CA-O 3.31Å; T18-N334 WeakPolarHBondContact CA-O 3.39Å; T18-N334 WeakPolarHBondContact CG2-O 3.36Å; V19-N334 PolarHBondContact N-O 2.8Å
335N97.6Very high96.6Very high45 Ų4527.4 Ų27.424%0.24114%0.141CC..THydrogen-bonded Turntrans-95.815.1174.667.9-28.3000113.7E14 A15 W17 Y333E14-N335 WeakPolarHBondContact CG-ND2 3.45Å; E14-N335 PolarHBondContact OE1-ND2 3.25Å; A15-N335 WeakPolarHBondContact CB-O 3.43Å; A15-N335 PolarHBondContact N-O 3.09Å; A15-N335 PolarHBondContact O-ND2 3.49Å; W17-N335 WeakPolarHBondContact O-CA 3.45Å; W17-N335 WeakPolarHBondContact O-CB 3.41Å; Y333-N335 PolarHBondContact O-N 3.48Å
336C97.9Very high96.7Very high5 Ų528.3 Ų28.33%0.03415%0.146CC..EExtended strand (participates in β ladder)trans-110.4137.1-172.2-65.60000112K12 Y13 C332 Y333K12-C336 WeakPolarHBondContact CE-SG 3.38Å; Y13-C336 WeakPolarHBondContact O-CA 3.3Å; C332-C336 VanDerWaalsContact CA-O 3.32Å; C332-C336 WeakPolarHBondContact CA-O 3.43Å; Y333-C336 HydrophobicContact CD1-CB 4.41Å; Y333-C336 HydrophobicContact CD2-CB 4.2Å; Y333-C336 HydrophobicContact CE1-CB 4.01Å; Y333-C336 HydrophobicContact CE2-CB 3.77Å; Y333-C336 PolarHBondContact N-O 3.29Å; Y333-C336 VanDerWaalsContact N-O 3.13Å; Y333-C336 WeakPolarHBondContact O-CA 3.18Å; Y333-C336 WeakPolarHBondContact O-CB 3.35Å; Y333-C336 PolarHBondContact O-N 3.2Å
337L98.1Very high96.9Very high0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-103.6130.5158.4164.474.5000107.6K12 Y13 M22 L34 L36 V50 F59 A330 I339K12-L337 CarbonylContact C-O 3.51Å; K12-L337 WeakPolarHBondContact CA-O 3.48Å; Y13-L337 PolarHBondContact N-O 3.43Å; Y13-L337 PolarHBondContact O-N 3.08Å; M22-L337 HydrophobicContact SD-CD1 3.79Å; L34-L337 HydrophobicContact CD1-CD2 4.15Å; L34-L337 HydrophobicContact CD2-CD1 3.95Å; L34-L337 HydrophobicContact CD2-CD2 4.21Å; L36-L337 HydrophobicContact CD1-CB 4.17Å; L36-L337 HydrophobicContact CD1-CD2 4.14Å; L36-L337 HydrophobicContact CD2-CB 4.37Å; L36-L337 HydrophobicContact CD2-CD1 4.2Å; L36-L337 HydrophobicContact CD2-CD2 4.09Å; L36-L337 HydrophobicContact CD2-CG 4.43Å; V50-L337 HydrophobicContact CG2-CD2 3.92Å; F59-L337 HydrophobicContact CE1-CD2 4.16Å; F59-L337 HydrophobicContact CZ-CD2 4.12Å; A330-L337 HydrophobicContact CB-CD1 3.98Å; L337-I339 HydrophobicContact CD1-CG2 4.4Å
338E97.8Very high97Very high10 Ų1024.2 Ų24.25%0.04712%0.12CC..EExtended strand (participates in β ladder)trans-121.7138.6166.6-67.4-171.8153.700110.4Y11 K12 Y310 A330 I331 Y333 L340Y11-E338 WeakPolarHBondContact O-CA 3.22Å; K12-E338 HydrophobicContact CB-CG 4.13Å; K12-E338 HydrophobicContact CD-CG 4.33Å; K12-E338 HydrophobicContact CG-CG 3.9Å; Y310-E338 PolarHBondContact OH-OE2 3.33Å; A330-E338 CarbonylContact C-O 3.45Å; A330-E338 VanDerWaalsContact CA-O 3.3Å; A330-E338 WeakPolarHBondContact CA-O 2.94Å; I331-E338 HydrophobicContact CD1-CB 4.31Å; I331-E338 HydrophobicContact CG1-CB 3.87Å; I331-E338 PolarHBondContact N-O 3.28Å; I331-E338 PolarHBondContact O-N 2.99Å; Y333-E338 HydrophobicContact CE1-CG 3.82Å; Y333-E338 PolarHBondContact OH-OE1 2.85Å; E338-L340 HydrophobicContact CB-CD2 4.33Å
339I97.9Very high97Very high0 Ų024.6 Ų24.60%012%0.123CC..EExtended strand (participates in β ladder)trans-111.1131.1167.466.7166.7000109.2I10 Y11 W24 F32 L34 L52 F59 W328 I329 A330 L337I10-I339 WeakPolarHBondContact CA-O 3.44Å; Y11-I339 HydrophobicContact CD2-CD1 3.95Å; Y11-I339 HydrophobicContact CD2-CG1 4.03Å; Y11-I339 HydrophobicContact CG-CG1 4.42Å; Y11-I339 PolarHBondContact N-O 2.87Å; Y11-I339 VanDerWaalsContact N-O 3.09Å; Y11-I339 PolarHBondContact O-N 2.9Å; W24-I339 HydrophobicContact CH2-CB 3.91Å; W24-I339 HydrophobicContact CH2-CD1 4.04Å; W24-I339 HydrophobicContact CH2-CG2 3.44Å; W24-I339 VanDerWaalsContact CH2-CG2 3.44Å; W24-I339 HydrophobicContact CZ2-CB 4.08Å; W24-I339 HydrophobicContact CZ2-CG2 3.53Å; F32-I339 HydrophobicContact CD1-CD1 3.86Å; F32-I339 HydrophobicContact CE1-CD1 4.45Å; L34-I339 HydrophobicContact CD1-CG2 4.34Å; L52-I339 HydrophobicContact CD2-CD1 4.17Å; F59-I339 HydrophobicContact CE2-CD1 4.22Å; F59-I339 HydrophobicContact CE2-CG1 4.01Å; F59-I339 HydrophobicContact CZ-CD1 3.7Å; F59-I339 HydrophobicContact CZ-CG1 3.81Å; F59-I339 HydrophobicContact CZ-CG2 3.98Å; W328-I339 HydrophobicContact CE3-CB 4.08Å; W328-I339 HydrophobicContact CE3-CD1 3.93Å; W328-I339 HydrophobicContact CE3-CG1 3.97Å; W328-I339 HydrophobicContact CZ3-CB 4.46Å; W328-I339 HydrophobicContact CZ3-CD1 4.02Å; W328-I339 HydrophobicContact CZ3-CG1 3.95Å; I329-I339 CarbonylContact O-C 3.53Å; I329-I339 VanDerWaalsContact O-CA 3.26Å; I329-I339 WeakPolarHBondContact O-CA 3.14Å; A330-I339 HydrophobicContact CB-CG2 4Å; L337-I339 HydrophobicContact CD1-CG2 4.4Å
340L96.6Very high96.9Very high11 Ų1126.2 Ų26.26%0.05813%0.131CC..EExtended strand (participates in β ladder)trans-119.9129.7-170.9-50.7176000108.6I10 Y310 W328 I329 I331 E338I10-L340 HydrophobicContact CB-CD2 4.25Å; I10-L340 HydrophobicContact CD1-CD2 4.12Å; I10-L340 HydrophobicContact CG1-CD2 3.76Å; I10-L340 HydrophobicContact CG2-CD2 3.75Å; Y310-L340 HydrophobicContact CD1-CD1 3.49Å; Y310-L340 VanDerWaalsContact CD1-CD1 3.49Å; Y310-L340 HydrophobicContact CD1-CD2 4.49Å; Y310-L340 HydrophobicContact CD2-CD1 4.13Å; Y310-L340 HydrophobicContact CD2-CD2 4.36Å; Y310-L340 HydrophobicContact CE1-CD1 3.79Å; Y310-L340 HydrophobicContact CE1-CD2 4.04Å; Y310-L340 HydrophobicContact CE2-CD1 4.4Å; Y310-L340 HydrophobicContact CE2-CD2 3.92Å; Y310-L340 HydrophobicContact CG-CD1 3.65Å; W328-L340 WeakPolarHBondContact CA-O 3.43Å; I329-L340 PolarHBondContact N-O 3.29Å; I329-L340 PolarHBondContact O-N 3.27Å; I331-L340 HydrophobicContact CD1-CD1 3.98Å; I331-L340 HydrophobicContact CG1-CD1 4.23Å; E338-L340 HydrophobicContact CB-CD2 4.33Å
341R95.3Very high96.8Very high109 Ų10928.4 Ų28.441%0.41114%0.142SC..EExtended strand (participates in β ladder)trans-80.9130.6167-167.8175.1-176.4174.47.7110.5E9 D327 W328E9-R341 HydrophobicContact CB-CB 4.06Å; E9-R341 PolarHBondContact O-N 3.06Å; E9-R341 VanDerWaalsContact O-N 3.07Å; E9-R341 WeakPolarHBondContact OE2-CD 3.49Å; E9-R341 IonicContact OE2-CZ 3.58Å; E9-R341 IonicContact OE2-NE 3.68Å; E9-R341 IonicContact OE2-NH1 2.71Å; E9-R341 PolarHBondContact OE2-NH1 3.03Å; D327-R341 HydrophobicContact CB-CG 4.22Å; D327-R341 CarbonylContact O-C 3.26Å; D327-R341 VanDerWaalsContact O-CA 3.28Å; D327-R341 WeakPolarHBondContact O-CA 3.47Å; D327-R341 IonicContact OD2-CZ 3.86Å; D327-R341 IonicContact OD2-NE 3.67Å; D327-R341 IonicContact OD2-NH2 3.15Å; D327-R341 PolarHBondContact OD2-NH2 3.29Å; D327-R341 VanDerWaalsContact OD2-NH2 3.15Å; W328-R341 HydrophobicContact CD2-CB 4.3Å; W328-R341 HydrophobicContact CE3-CB 4.23Å; W328-R341 HydrophobicContact CH2-CB 3.86Å; W328-R341 HydrophobicContact CZ2-CB 3.96Å; W328-R341 HydrophobicContact CZ2-CG 4.28Å; W328-R341 HydrophobicContact CZ3-CB 4.01Å
342V90.7Very high96.7Very high81 Ų8131 Ų3149%0.49116%0.155SC..  trans-120.10-174.1-62.60000113.8I293 L308 W321 D327 I329I293-V342 HydrophobicContact CD1-CB 3.71Å; I293-V342 HydrophobicContact CD1-CG1 3.68Å; I293-V342 HydrophobicContact CD1-CG2 4.26Å; L308-V342 HydrophobicContact CD2-CB 4.34Å; L308-V342 HydrophobicContact CD2-CG1 4.2Å; W321-V342 HydrophobicContact CH2-CG2 4.13Å; W321-V342 HydrophobicContact CZ2-CG2 3.5Å; W321-V342 VanDerWaalsContact CZ2-CG2 3.5Å; D327-V342 WeakPolarHBondContact O-CG2 3.3Å; D327-V342 PolarHBondContact O-N 2.95Å; I329-V342 HydrophobicContact CD1-CB 4.43Å; I329-V342 HydrophobicContact CD1-CG1 3.8Å; I329-V342 HydrophobicContact CD1-CG2 4Å; I329-V342 HydrophobicContact CG1-CG1 4.05Å; I329-V342 HydrophobicContact CG1-CG2 3.93Å

Retrieved 342 of 342 residues in 620.7 ms (Link to these results)

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