A0A087Y1S6_POEFO Loading...

mannose-1-phosphate guanylyltransferase

AlphaFold DB , UniProt , Accession A0A087Y1S6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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
1M93.3Very high89Confident20 Ų2030.1 Ų30.110%0.09919%0.19CC..  0136.20-168.2164-66.400112.2V46 N47 E102 F105 L121M1-V46 HydrophobicContact CG-CG2 4.29Å; M1-V46 WeakPolarHBondContact O-CA 3.36Å; M1-N47 PolarHBondContact O-N 3.24Å; M1-N47 VanDerWaalsContact O-N 3.12Å; M1-N47 PolarHBondContact O-OD1 3.01Å; M1-E102 WeakPolarHBondContact CA-OE2 3.32Å; M1-E102 PolarHBondContact N-OE2 2.81Å; M1-F105 HydrophobicContact CG-CE2 4.28Å; M1-F105 HydrophobicContact SD-CD2 4.34Å; M1-F105 HydrophobicContact SD-CE2 3.54Å; M1-F105 VanDerWaalsContact SD-CE2 3.54Å; M1-F105 HydrophobicContact SD-CZ 4.24Å; M1-L121 HydrophobicContact CE-CD1 3.58Å; M1-L121 HydrophobicContact CE-CD2 3.58Å; M1-L121 HydrophobicContact CE-CG 4.23Å; M1-L121 HydrophobicContact SD-CD1 4.11Å; M1-L121 HydrophobicContact SD-CD2 3.86Å
2K97.6Very high89.2Confident12 Ų1233.5 Ų33.55%0.05221%0.21CC..EExtended strand (participates in β ladder)trans-118.8162.6-171.6-50.7-174.5-177.974.50112.2H48 L96 L97 D100 F104 F105K2-H48 CarbonylContact C-O 3.57Å; K2-H48 VanDerWaalsContact CA-O 3.28Å; K2-H48 WeakPolarHBondContact CA-O 3.37Å; K2-H48 HydrophobicContact CG-CB 4.25Å; K2-L96 WeakPolarHBondContact CD-O 3.44Å; K2-L96 WeakPolarHBondContact CE-O 3.27Å; K2-L97 HydrophobicContact CB-CD2 4.44Å; K2-D100 IonicContact NZ-OD1 3.33Å; K2-D100 PolarHBondContact NZ-OD1 3.34Å; K2-D100 IonicContact NZ-OD2 3.41Å; K2-D100 PolarHBondContact NZ-OD2 2.95Å; K2-F104 HydrophobicContact CB-CB 4.09Å; K2-F104 VanDerWaalsContact O-CA 3.25Å; K2-F104 WeakPolarHBondContact O-CA 3.23Å; K2-F104 WeakPolarHBondContact O-CB 3.43Å; K2-F105 PolarHBondContact O-N 3.18Å
3A98.3Very high89.5Confident0 Ų041.2 Ų41.20%023%0.233CC..EExtended strand (participates in β ladder)trans-139.6148.1168.800000110.9L41 V46 H48 V49 V50 F105 L107A3-L41 HydrophobicContact CB-CD1 3.74Å; A3-L41 HydrophobicContact CB-CD2 4Å; A3-L41 HydrophobicContact CB-CG 4.42Å; A3-V46 HydrophobicContact CB-CG1 3.94Å; A3-V46 HydrophobicContact CB-CG2 4.41Å; A3-H48 PolarHBondContact N-O 3.43Å; A3-V49 HydrophobicContact CB-CG2 4.49Å; A3-V49 CarbonylContact O-C 3.57Å; A3-V49 WeakPolarHBondContact O-CA 3.49Å; A3-V50 PolarHBondContact O-N 3.32Å; A3-F105 CarbonylContact C-O 3.6Å; A3-F105 VanDerWaalsContact CA-O 3.26Å; A3-F105 WeakPolarHBondContact CA-O 3.38Å; A3-F105 HydrophobicContact CB-CB 3.92Å; A3-L107 HydrophobicContact CB-CD1 4.45Å
4L97.9Very high90Very high0 Ų038.2 Ų38.20%022%0.216CC..EExtended strand (participates in β ladder)trans-115.8125.3167.9-175.5148000109.5L6 V50 A52 L90 A93 L97 F105 V106 L107L4-L6 HydrophobicContact CD2-CD2 3.55Å; L4-L6 HydrophobicContact CD2-CG 3.96Å; L4-V50 CarbonylContact C-O 3.56Å; L4-V50 VanDerWaalsContact CA-O 3.25Å; L4-V50 WeakPolarHBondContact CA-O 3.15Å; L4-V50 HydrophobicContact CD1-CG1 4.36Å; L4-V50 HydrophobicContact CG-CB 4.49Å; L4-A52 HydrophobicContact CD2-CB 4.05Å; L4-A52 HydrophobicContact CG-CB 4.4Å; L4-L90 HydrophobicContact CD2-CD1 4.29Å; L4-A93 HydrophobicContact CD1-CB 3.6Å; L4-L97 HydrophobicContact CB-CD2 4.26Å; L4-L97 HydrophobicContact CD1-CD1 3.89Å; L4-F105 PolarHBondContact N-O 2.98Å; L4-V106 HydrophobicContact CB-CG2 4.36Å; L4-V106 HydrophobicContact CD2-CG1 4.13Å; L4-V106 CarbonylContact O-C 3.58Å; L4-V106 VanDerWaalsContact O-CA 3.22Å; L4-V106 WeakPolarHBondContact O-CA 3.46Å; L4-L107 PolarHBondContact O-N 3.3Å
5I97Very high90.3Very high0 Ų043.2 Ų43.20%023%0.23CC..EExtended strand (participates in β ladder)trans-108.1122.4174.9-54178000108.3V7 L34 Q37 V38 L41 V49 V50 L51 A52 L107I5-V7 HydrophobicContact CB-CG2 4.42Å; I5-V7 HydrophobicContact CG2-CG2 4.02Å; I5-V7 PolarHBondContact O-N 3.02Å; I5-V7 VanDerWaalsContact O-N 3.12Å; I5-L34 HydrophobicContact CB-CD1 4.43Å; I5-L34 HydrophobicContact CD1-CD1 3.69Å; I5-L34 HydrophobicContact CG2-CD1 3.87Å; I5-Q37 HydrophobicContact CD1-CB 4.34Å; I5-V38 HydrophobicContact CD1-CG2 3.89Å; I5-L41 HydrophobicContact CD1-CD1 3.98Å; I5-L41 HydrophobicContact CG1-CD1 4.37Å; I5-V49 HydrophobicContact CD1-CG1 3.86Å; I5-V49 HydrophobicContact CG1-CG1 4.15Å; I5-V50 PolarHBondContact N-O 3.4Å; I5-L51 HydrophobicContact CB-CD2 3.84Å; I5-L51 HydrophobicContact CD1-CD2 4Å; I5-L51 HydrophobicContact CG1-CD2 4.22Å; I5-A52 PolarHBondContact O-N 2.91Å; I5-L107 HydrophobicContact CG1-CB 4.45Å; I5-L107 HydrophobicContact CG1-CD1 4.19Å
6L94.5Very high90.7Very high18 Ų1840.7 Ų40.79%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-75.395.4175.2-62.2172.6000109.2L4 G8 A52 P89 L90 V106 L107 S109L4-L6 HydrophobicContact CD2-CD2 3.55Å; L4-L6 HydrophobicContact CD2-CG 3.96Å; L6-G8 PolarHBondContact O-N 3.05Å; L6-A52 HydrophobicContact CD2-CB 4.18Å; L6-P89 HydrophobicContact CD2-CB 3.83Å; L6-P89 HydrophobicContact CD2-CG 3.9Å; L6-L90 HydrophobicContact CD2-CD1 4.28Å; L6-V106 HydrophobicContact CD1-CG1 4.32Å; L6-V106 HydrophobicContact CG-CG1 4.39Å; L6-L107 WeakPolarHBondContact CB-O 3.14Å; L6-L107 PolarHBondContact N-O 3.5Å; L6-S109 WeakPolarHBondContact O-CB 3.38Å; L6-S109 PolarHBondContact O-N 2.66Å; L6-S109 VanDerWaalsContact O-N 3.11Å; L6-S109 PolarHBondContact O-OG 3.48Å
7V89.7Confident91.1Very high14 Ų1438.3 Ų38.39%0.08520%0.204CC..EExtended strand (participates in β ladder)trans-93.655.9177.8-179.50000108.9I5 P24 L34 L51 A52 V53 L60I5-V7 HydrophobicContact CB-CG2 4.42Å; I5-V7 HydrophobicContact CG2-CG2 4.02Å; I5-V7 PolarHBondContact O-N 3.02Å; I5-V7 VanDerWaalsContact O-N 3.12Å; V7-P24 HydrophobicContact CB-CG 4.46Å; V7-P24 HydrophobicContact CG1-CB 4.32Å; V7-P24 HydrophobicContact CG1-CG 3.26Å; V7-L34 HydrophobicContact CG2-CD1 4.42Å; V7-L51 HydrophobicContact CG2-CB 4.19Å; V7-L51 HydrophobicContact CG2-CD2 4.21Å; V7-A52 CarbonylContact C-O 3.58Å; V7-A52 VanDerWaalsContact CA-O 3.26Å; V7-A52 WeakPolarHBondContact CA-O 3.46Å; V7-A52 VanDerWaalsContact CB-O 3.3Å; V7-A52 WeakPolarHBondContact CB-O 3.37Å; V7-A52 PolarHBondContact N-O 2.73Å; V7-V53 HydrophobicContact CB-CG1 3.83Å; V7-V53 HydrophobicContact CG1-CG1 3.82Å; V7-L60 HydrophobicContact CG1-CD2 4.47Å
8G72.8Confident91.3Very high51 Ų5137.2 Ų37.253%0.52620%0.199SC..  trans-86.1138.3-174.200000114L6L6-G8 PolarHBondContact O-N 3.05Å
9G71.1Confident91.4Very high48 Ų4839.5 Ų39.550%0.49521%0.211SC..SBendtrans84.8159.6162.600000116G11G9-G11 PolarHBondContact O-N 3.47Å; G9-G11 VanDerWaalsContact O-N 3.07Å
10Y78.6Confident91.5Very high156 Ų15639.2 Ų39.261%0.61221%0.212SC*.  trans-74.26.5-177.7-60.5-79.9000114.5T12Y10-T12 PolarHBondContact O-N 3.3Å; Y10-T12 VanDerWaalsContact O-N 3.14Å
11G88Confident91.5Very high12 Ų1238.3 Ų38.312%0.12421%0.208CC..  trans54.933.3-177.400000114G9 R13 L14 T18G9-G11 PolarHBondContact O-N 3.47Å; G9-G11 VanDerWaalsContact O-N 3.07Å; G11-R13 PolarHBondContact O-N 3.15Å; G11-R13 VanDerWaalsContact O-N 3.13Å; G11-L14 PolarHBondContact O-N 3.49Å; G11-T18 PolarHBondContact O-OG1 3.24Å
12T91.6Very high91.4Very high71 Ų7139 Ų3944%0.43621%0.214SC..G310 helixtrans-60.4-28.9-16758.40000114.4Y10 L14 R15Y10-T12 PolarHBondContact O-N 3.3Å; Y10-T12 VanDerWaalsContact O-N 3.14Å; T12-L14 VanDerWaalsContact C-N 3.26Å; T12-L14 PolarHBondContact O-N 2.76Å; T12-R15 WeakPolarHBondContact O-CB 3.26Å; T12-R15 WeakPolarHBondContact O-CD 3.46Å; T12-R15 WeakPolarHBondContact O-CG 3.35Å; T12-R15 PolarHBondContact O-N 3.06Å
13R93.8Very high91.2Very high133 Ų13339.3 Ų39.350%0.50222%0.215SC..G310 helixtrans-71.9-18176.9-66.9-171.8-66.1138.4-2.8113.7G11 G220 Q221 P222G11-R13 PolarHBondContact O-N 3.15Å; G11-R13 VanDerWaalsContact O-N 3.13Å; R13-G220 CarbonylContact C-O 3.5Å; R13-G220 WeakPolarHBondContact CB-O 3.44Å; R13-Q221 HydrophobicContact CB-CB 4.3Å; R13-P222 VanDerWaalsContact O-CD 3.28Å; R13-P222 WeakPolarHBondContact O-CD 3.37Å
14L95.3Very high91Very high0 Ų039.7 Ų39.70%022%0.217CC..G310 helixtrans-96.56.3176.6-164.963.1000112.3G11 T12 L17 T18 K23 G220 P222 F225G11-L14 PolarHBondContact O-N 3.49Å; T12-L14 VanDerWaalsContact C-N 3.26Å; T12-L14 PolarHBondContact O-N 2.76Å; L14-L17 HydrophobicContact CD1-CD1 4.42Å; L14-L17 HydrophobicContact CG-CD1 4.29Å; L14-L17 WeakPolarHBondContact O-CB 2.94Å; L14-L17 PolarHBondContact O-N 2.76Å; L14-T18 HydrophobicContact CB-CG2 3.88Å; L14-T18 HydrophobicContact CD2-CG2 4.13Å; L14-T18 HydrophobicContact CG-CG2 4.26Å; L14-K23 HydrophobicContact CD2-CG 4.15Å; L14-G220 PolarHBondContact N-O 3.17Å; L14-P222 HydrophobicContact CD1-CG 4.42Å; L14-F225 HydrophobicContact CD1-CB 4.24Å; L14-F225 HydrophobicContact CD1-CD2 4.19Å
15R95.5Very high90.8Very high113 Ų11340.2 Ų40.243%0.42622%0.22SC..THydrogen-bonded Turntrans-59.7146.6171.1-70.1176.3178.3173.3-4.1109.7T12 T18 L19T12-R15 WeakPolarHBondContact O-CB 3.26Å; T12-R15 WeakPolarHBondContact O-CD 3.46Å; T12-R15 WeakPolarHBondContact O-CG 3.35Å; T12-R15 PolarHBondContact O-N 3.06Å; R15-T18 VanDerWaalsContact CG-OG1 3.25Å; R15-T18 WeakPolarHBondContact CG-OG1 3.46Å; R15-T18 PolarHBondContact N-OG1 3.14Å; R15-L19 HydrophobicContact CG-CD2 4.23Å; R15-L19 HydrophobicContact CG-CG 4.07Å
16P96.8Very high90.7Very high3 Ų340.2 Ų40.22%0.01922%0.22CC..THydrogen-bonded Turncis-80-9.911.432.4-39.2000116.3T18 L19 V325 V343P16-T18 VanDerWaalsContact C-N 3.29Å; P16-T18 PolarHBondContact O-N 3.15Å; P16-L19 HydrophobicContact CB-CD1 4.3Å; P16-L19 WeakPolarHBondContact O-CB 3.32Å; P16-L19 PolarHBondContact O-N 2.71Å; P16-V325 HydrophobicContact CG-CB 4.27Å; P16-V325 HydrophobicContact CG-CG1 3.72Å; P16-V343 WeakPolarHBondContact CB-O 3.38Å; P16-V343 WeakPolarHBondContact CG-O 3.43Å
17L96.6Very high90.8Very high0 Ų041.3 Ų41.30%023%0.225CC..Hα-helixtrans-58.6-41.3-173.5-57.9177000112.9L14 L19 S20 V21 V26 L292 I307 W310 V325L14-L17 HydrophobicContact CD1-CD1 4.42Å; L14-L17 HydrophobicContact CG-CD1 4.29Å; L14-L17 WeakPolarHBondContact O-CB 2.94Å; L14-L17 PolarHBondContact O-N 2.76Å; L17-L19 PolarHBondContact O-N 3.44Å; L17-S20 PolarHBondContact O-N 2.61Å; L17-V21 PolarHBondContact O-N 3.03Å; L17-V26 HydrophobicContact CD1-CG1 4.15Å; L17-L292 HydrophobicContact CD2-CD1 3.91Å; L17-I307 HydrophobicContact CD1-CD1 4.43Å; L17-I307 HydrophobicContact CD1-CG2 4.05Å; L17-I307 HydrophobicContact CD2-CG2 4.18Å; L17-W310 HydrophobicContact CB-CH2 4Å; L17-W310 HydrophobicContact CB-CZ3 4Å; L17-W310 HydrophobicContact CD2-CH2 4.27Å; L17-W310 HydrophobicContact CD2-CZ3 3.89Å; L17-W310 WeakPolarHBondContact O-CZ3 3.3Å; L17-V325 HydrophobicContact CD2-CG1 4.22Å; L17-V325 HydrophobicContact CG-CG1 4.17Å
18T94.8Very high91.2Very high18 Ų1840.6 Ų40.611%0.1122%0.221CC..Hα-helixtrans-797.4-17853.70000114.6G11 L14 R15 P16 V21 K23 V26G11-T18 PolarHBondContact O-OG1 3.24Å; L14-T18 HydrophobicContact CB-CG2 3.88Å; L14-T18 HydrophobicContact CD2-CG2 4.13Å; L14-T18 HydrophobicContact CG-CG2 4.26Å; R15-T18 VanDerWaalsContact CG-OG1 3.25Å; R15-T18 WeakPolarHBondContact CG-OG1 3.46Å; R15-T18 PolarHBondContact N-OG1 3.14Å; P16-T18 VanDerWaalsContact C-N 3.29Å; P16-T18 PolarHBondContact O-N 3.15Å; T18-V21 VanDerWaalsContact CA-O 3.32Å; T18-V21 WeakPolarHBondContact CA-O 3.38Å; T18-K23 HydrophobicContact CG2-CB 3.93Å; T18-K23 HydrophobicContact CG2-CG 4.46Å; T18-V26 HydrophobicContact CG2-CG2 4.24Å
19L94.3Very high92.4Very high81 Ų8138.3 Ų38.342%0.42420%0.196SC..Hα-helixtrans-81.1-31.2166.2-64.9172.4000111.7R15 P16 L17 L344 P345R15-L19 HydrophobicContact CG-CD2 4.23Å; R15-L19 HydrophobicContact CG-CG 4.07Å; P16-L19 HydrophobicContact CB-CD1 4.3Å; P16-L19 WeakPolarHBondContact O-CB 3.32Å; P16-L19 PolarHBondContact O-N 2.71Å; L17-L19 PolarHBondContact O-N 3.44Å; L19-L344 HydrophobicContact CD1-CD2 4.08Å; L19-L344 HydrophobicContact CD1-CG 3.88Å; L19-P345 HydrophobicContact CB-CG 3.98Å; L19-P345 HydrophobicContact CD1-CG 4.39Å
20S92.6Very high93.7Very high34 Ų3438.1 Ų38.124%0.23818%0.184CC..Hα-helixtrans-94.9-45.6179.7-66.90000112.3L17 E328L17-S20 PolarHBondContact O-N 2.61Å; S20-E328 WeakPolarHBondContact CB-OE2 3.21Å; S20-E328 WeakPolarHBondContact OG-CB 3.33Å; S20-E328 PolarHBondContact OG-OE2 2.86Å
21V91.9Very high94.5Very high21 Ų2132.6 Ų32.613%0.12716%0.163CC..SBendtrans-125.1132.4-170.8179.90000110.1L17 T18 K23 L25 V26 W310L17-V21 PolarHBondContact O-N 3.03Å; T18-V21 VanDerWaalsContact CA-O 3.32Å; T18-V21 WeakPolarHBondContact CA-O 3.38Å; V21-K23 PolarHBondContact O-N 2.83Å; V21-L25 HydrophobicContact CG1-CB 3.49Å; V21-L25 VanDerWaalsContact CG1-CB 3.49Å; V21-V26 HydrophobicContact CB-CG2 4.44Å; V21-V26 HydrophobicContact CG1-CG2 4.38Å; V21-W310 HydrophobicContact CB-CH2 3.8Å; V21-W310 HydrophobicContact CB-CZ2 4.08Å; V21-W310 HydrophobicContact CB-CZ3 4.3Å; V21-W310 HydrophobicContact CG1-CZ2 4.46Å; V21-W310 HydrophobicContact CG2-CD2 4.38Å; V21-W310 HydrophobicContact CG2-CE3 4.3Å; V21-W310 HydrophobicContact CG2-CH2 3.85Å; V21-W310 HydrophobicContact CG2-CZ2 3.91Å; V21-W310 HydrophobicContact CG2-CZ3 4.04Å
22P91.8Very high94.9Very high33 Ų3333.8 Ų33.821%0.21417%0.169CC..  trans-53.9138.7173.5-22.330.7000111.1P24 L25 V26 S57P22-P24 VanDerWaalsContact C-N 3.3Å; P22-P24 WeakPolarHBondContact O-CD 3.26Å; P22-L25 HydrophobicContact CG-CD1 4.42Å; P22-L25 WeakPolarHBondContact O-CA 3.48Å; P22-L25 PolarHBondContact O-N 3.24Å; P22-V26 PolarHBondContact O-N 3.42Å; P22-S57 VanDerWaalsContact CG-OG 3.29Å; P22-S57 WeakPolarHBondContact CG-OG 3.48Å
23K93Very high95.1Very high19 Ų1930.4 Ų30.48%0.08315%0.148CC..G310 helixtrans-43.4-46-178-174178.7-178.2-175.90114.6L14 T18 V21 L25 V26 D110L14-K23 HydrophobicContact CD2-CG 4.15Å; T18-K23 HydrophobicContact CG2-CB 3.93Å; T18-K23 HydrophobicContact CG2-CG 4.46Å; V21-K23 PolarHBondContact O-N 2.83Å; K23-L25 PolarHBondContact O-N 2.86Å; K23-L25 VanDerWaalsContact O-N 3.16Å; K23-V26 WeakPolarHBondContact O-CB 3.38Å; K23-V26 PolarHBondContact O-N 3.08Å; K23-V26 VanDerWaalsContact O-N 3.17Å; K23-D110 HydrophobicContact CD-CB 4.4Å; K23-D110 VanDerWaalsContact NZ-CG 3.33Å; K23-D110 IonicContact NZ-OD2 3.5Å; K23-D110 PolarHBondContact NZ-OD2 3.46Å
24P93Very high95.2Very high8 Ų824.1 Ų24.15%0.05212%0.124CC..G310 helixtrans-60.4-27.1-179.3-21.532.7000114.2V7 P22 I33 L34V7-P24 HydrophobicContact CB-CG 4.46Å; V7-P24 HydrophobicContact CG1-CB 4.32Å; V7-P24 HydrophobicContact CG1-CG 3.26Å; P22-P24 VanDerWaalsContact C-N 3.3Å; P22-P24 WeakPolarHBondContact O-CD 3.26Å; P24-I33 PolarHBondContact O-N 3.37Å; P24-L34 HydrophobicContact CB-CB 3.87Å; P24-L34 HydrophobicContact CB-CD2 4.1Å; P24-L34 HydrophobicContact CB-CG 4.46Å; P24-L34 VanDerWaalsContact O-CB 3.31Å; P24-L34 WeakPolarHBondContact O-CB 3.41Å; P24-L34 PolarHBondContact O-N 3.06Å
25L93.9Very high95.3Very high12 Ų1225 Ų256%0.06313%0.129CC..G310 helixtrans-93.4-12.3-177.7-66.6-175.2000113.5V21 P22 K23 E27 L59 L60 E63 M64V21-L25 HydrophobicContact CG1-CB 3.49Å; V21-L25 VanDerWaalsContact CG1-CB 3.49Å; P22-L25 HydrophobicContact CG-CD1 4.42Å; P22-L25 WeakPolarHBondContact O-CA 3.48Å; P22-L25 PolarHBondContact O-N 3.24Å; K23-L25 PolarHBondContact O-N 2.86Å; K23-L25 VanDerWaalsContact O-N 3.16Å; L25-E27 PolarHBondContact O-N 3.32Å; L25-L59 HydrophobicContact CD1-CB 4.48Å; L25-L59 HydrophobicContact CD1-CD2 3.97Å; L25-L59 HydrophobicContact CD1-CG 3.69Å; L25-L60 HydrophobicContact CD1-CB 4.42Å; L25-L60 HydrophobicContact CD1-CD1 4.34Å; L25-L60 HydrophobicContact CD2-CD1 4.03Å; L25-L60 HydrophobicContact CG-CD1 4.02Å; L25-E63 HydrophobicContact CD1-CB 4.4Å; L25-E63 HydrophobicContact CD1-CG 4.13Å; L25-E63 HydrophobicContact CD2-CB 4Å; L25-E63 HydrophobicContact CD2-CG 4.29Å; L25-M64 HydrophobicContact CD2-CE 4.06Å
26V95.9Very high95.4Very high0 Ų020.1 Ų20.10%011%0.111CC..SBendtrans-57.8126.9174.9178.90000108.6L17 T18 V21 P22 K23 F28 I33 F225 W310L17-V26 HydrophobicContact CD1-CG1 4.15Å; T18-V26 HydrophobicContact CG2-CG2 4.24Å; V21-V26 HydrophobicContact CB-CG2 4.44Å; V21-V26 HydrophobicContact CG1-CG2 4.38Å; P22-V26 PolarHBondContact O-N 3.42Å; K23-V26 WeakPolarHBondContact O-CB 3.38Å; K23-V26 PolarHBondContact O-N 3.08Å; K23-V26 VanDerWaalsContact O-N 3.17Å; V26-F28 PolarHBondContact O-N 2.78Å; V26-I33 HydrophobicContact CB-CD1 4.16Å; V26-I33 WeakPolarHBondContact O-CG1 3.36Å; V26-I33 PolarHBondContact O-N 3.12Å; V26-F225 HydrophobicContact CG1-CE2 4.18Å; V26-W310 HydrophobicContact CB-CH2 4.42Å; V26-W310 HydrophobicContact CB-CZ2 4.47Å; V26-W310 HydrophobicContact CG1-CH2 4.04Å; V26-W310 HydrophobicContact CG1-CZ2 4.13Å; V26-W310 HydrophobicContact CG2-CH2 4.06Å
27E96.7Very high95.4Very high40 Ų4020 Ų2019%0.18711%0.11CC..EExtended strand (participates in β ladder)trans-72.9125.4179.2-61.293.9140.300110.9L25 K31 F225 L292 W310L25-E27 PolarHBondContact O-N 3.32Å; E27-K31 CarbonylContact C-O 3.46Å; E27-K31 WeakPolarHBondContact CA-O 3.46Å; E27-F225 WeakPolarHBondContact O-CZ 3.47Å; E27-L292 HydrophobicContact CB-CD2 4.16Å; E27-W310 PolarHBondContact OE1-NE1 3Å; E27-W310 VanDerWaalsContact OE2-CE2 3.25Å; E27-W310 VanDerWaalsContact OE2-CZ2 3.24Å; E27-W310 WeakPolarHBondContact OE2-CZ2 3.41Å; E27-W310 PolarHBondContact OE2-NE1 2.86Å
28F98.1Very high95.4Very high0 Ų020.2 Ų20.20%011%0.111CC..EExtended strand (participates in β ladder)trans-115.6117171.3176.9-87.8000108.3V26 N30 K31 I33 H36 I112 I219 F225 M229 Y232V26-F28 PolarHBondContact O-N 2.78Å; F28-N30 PolarHBondContact O-N 2.92Å; F28-K31 CarbonylContact C-O 3.47Å; F28-K31 PolarHBondContact N-O 2.97Å; F28-K31 PolarHBondContact O-N 3.07Å; F28-I33 HydrophobicContact CB-CG1 3.7Å; F28-H36 AromaticContact CD1-NE2 3.94Å; F28-H36 PolarHBondContact O-NE2 2.87Å; F28-I112 HydrophobicContact CD1-CD1 4.33Å; F28-I112 HydrophobicContact CD1-CG1 4.13Å; F28-I112 HydrophobicContact CD1-CG2 4.38Å; F28-I112 HydrophobicContact CE1-CB 4.35Å; F28-I112 HydrophobicContact CE1-CG1 4.12Å; F28-I112 HydrophobicContact CE1-CG2 3.73Å; F28-I112 HydrophobicContact CZ-CG1 4.43Å; F28-I112 HydrophobicContact CZ-CG2 4.2Å; F28-I219 HydrophobicContact CB-CD1 4.39Å; F28-I219 HydrophobicContact CD2-CD1 3.85Å; F28-I219 HydrophobicContact CD2-CG2 4.44Å; F28-I219 HydrophobicContact CE2-CD1 4.31Å; F28-I219 HydrophobicContact CE2-CG2 3.92Å; F28-I219 HydrophobicContact CG-CD1 4.13Å; F28-F225 HydrophobicContact CB-CE2 4.06Å; F28-F225 HydrophobicContact CB-CZ 4.15Å; F28-F225 HydrophobicContact CD2-CD1 4.33Å; F28-F225 AromaticContact CD2-CD2 3.91Å; F28-F225 HydrophobicContact CD2-CD2 3.91Å; F28-F225 HydrophobicContact CD2-CE1 4.07Å; F28-F225 AromaticContact CD2-CE2 3.64Å; F28-F225 HydrophobicContact CD2-CE2 3.64Å; F28-F225 HydrophobicContact CD2-CG 4.25Å; F28-F225 AromaticContact CD2-CZ 3.73Å; F28-F225 HydrophobicContact CD2-CZ 3.73Å; F28-F225 WeakPolarHBondContact CE2-O 3.42Å; F28-F225 HydrophobicContact CG-CE2 4.35Å; F28-F225 HydrophobicContact CG-CZ 4.38Å; F28-M229 HydrophobicContact CE2-CB 4.11Å; F28-M229 HydrophobicContact CZ-CB 4.29Å; F28-M229 VanDerWaalsContact CZ-N 3.33Å; F28-Y232 HydrophobicContact CE1-CD1 4.48Å; F28-Y232 HydrophobicContact CE1-CD2 4.09Å; F28-Y232 AromaticContact CE1-CG 3.86Å; F28-Y232 HydrophobicContact CE1-CG 3.86Å
29C97.9Very high95.6Very high2 Ų221 Ų211%0.01411%0.114CC..THydrogen-bonded Turntrans52.653.6-174.3-56.20000112.9K31 Y232 L255 T273C29-K31 PolarHBondContact O-N 3.17Å; C29-Y232 HydrophobicContact CB-CD1 3.65Å; C29-Y232 HydrophobicContact CB-CE1 3.63Å; C29-Y232 WeakPolarHBondContact SG-CD1 3.36Å; C29-L255 HydrophobicContact CB-CD2 3.92Å; C29-L255 WeakPolarHBondContact O-CD2 3.19Å; C29-T273 HydrophobicContact CB-CG2 4.12Å
30N97Very high95.7Very high44 Ų4418 Ų1824%0.23510%0.101CC..THydrogen-bonded Turntrans62.620.4177.8-58.9-3.7000115.4F28 L255 D257 I274 G275F28-N30 PolarHBondContact O-N 2.92Å; N30-L255 HydrophobicContact CB-CD2 4.46Å; N30-D257 PolarHBondContact ND2-N 3.01Å; N30-I274 PolarHBondContact ND2-O 2.87Å; N30-I274 PolarHBondContact OD1-O 3.44Å; N30-G275 WeakPolarHBondContact OD1-CA 2.96Å
31K96.5Very high96Very high41 Ų4116.4 Ų16.418%0.1789%0.09CC..EExtended strand (participates in β ladder)trans-145.2138.8175.8179.5-173.3-59.3-178.20110.4E27 F28 C29 I33 L35 H36 E39E27-K31 CarbonylContact C-O 3.46Å; E27-K31 WeakPolarHBondContact CA-O 3.46Å; F28-K31 CarbonylContact C-O 3.47Å; F28-K31 PolarHBondContact N-O 2.97Å; F28-K31 PolarHBondContact O-N 3.07Å; C29-K31 PolarHBondContact O-N 3.17Å; K31-I33 PolarHBondContact O-N 2.94Å; K31-L35 HydrophobicContact CD-CB 4.11Å; K31-L35 HydrophobicContact CD-CD2 4.24Å; K31-L35 HydrophobicContact CD-CG 4.05Å; K31-L35 HydrophobicContact CG-CB 3.93Å; K31-L35 HydrophobicContact CG-CD2 3.94Å; K31-L35 HydrophobicContact CG-CG 4.13Å; K31-H36 PolarHBondContact O-NE2 3.25Å; K31-E39 IonicContact NZ-OE2 3.93Å; K31-E39 PolarHBondContact NZ-OE2 2.81Å
32P95.9Very high96.3Very high36 Ų3617.4 Ų17.423%0.23410%0.096CC..EExtended strand (participates in β ladder)trans-49.7136.9173.4-30.237.1000112.6L34 L35 H36P32-L34 PolarHBondContact O-N 3.22Å; P32-L35 HydrophobicContact CB-CB 4.12Å; P32-L35 WeakPolarHBondContact O-CB 3.39Å; P32-L35 PolarHBondContact O-N 3.4Å; P32-H36 PolarHBondContact O-CD2 3.23Å; P32-H36 VanDerWaalsContact O-CD2 3.3Å; P32-H36 PolarHBondContact O-N 3.39Å
33I96.1Very high96.5Very high0 Ų023.3 Ų23.30%012%0.118CC..Hα-helixtrans-48.9-48.1-179.9-72.5167.6000111.5P24 V26 F28 K31 L35 H36 S109 I112 I219P24-I33 PolarHBondContact O-N 3.37Å; V26-I33 HydrophobicContact CB-CD1 4.16Å; V26-I33 WeakPolarHBondContact O-CG1 3.36Å; V26-I33 PolarHBondContact O-N 3.12Å; F28-I33 HydrophobicContact CB-CG1 3.7Å; K31-I33 PolarHBondContact O-N 2.94Å; I33-L35 VanDerWaalsContact C-N 3.25Å; I33-L35 PolarHBondContact O-N 2.92Å; I33-H36 PolarHBondContact O-N 2.88Å; I33-S109 WeakPolarHBondContact CG2-O 3.48Å; I33-I112 HydrophobicContact CG2-CD1 4.36Å; I33-I219 HydrophobicContact CB-CD1 4.4Å; I33-I219 HydrophobicContact CD1-CD1 3.39Å; I33-I219 HydrophobicContact CD1-CG1 4.32Å; I33-I219 HydrophobicContact CG1-CD1 3.49Å; I33-I219 VanDerWaalsContact CG1-CD1 3.49Å; I33-I219 HydrophobicContact CG2-CD1 4.02Å
34L95.6Very high96.7Very high1 Ų123.1 Ų23.11%0.00512%0.12CC..Hα-helixtrans-61-36.3-179-174.961.8000112.3I5 V7 P24 P32 H36 Q37 V38 L51 L60 M64I5-L34 HydrophobicContact CB-CD1 4.43Å; I5-L34 HydrophobicContact CD1-CD1 3.69Å; I5-L34 HydrophobicContact CG2-CD1 3.87Å; V7-L34 HydrophobicContact CG2-CD1 4.42Å; P24-L34 HydrophobicContact CB-CB 3.87Å; P24-L34 HydrophobicContact CB-CD2 4.1Å; P24-L34 HydrophobicContact CB-CG 4.46Å; P24-L34 VanDerWaalsContact O-CB 3.31Å; P24-L34 WeakPolarHBondContact O-CB 3.41Å; P24-L34 PolarHBondContact O-N 3.06Å; P32-L34 PolarHBondContact O-N 3.22Å; L34-H36 VanDerWaalsContact C-N 3.3Å; L34-H36 PolarHBondContact O-N 2.95Å; L34-Q37 WeakPolarHBondContact O-CB 3.25Å; L34-Q37 PolarHBondContact O-N 2.8Å; L34-Q37 VanDerWaalsContact O-N 3.14Å; L34-V38 HydrophobicContact CD1-CG2 4.3Å; L34-V38 HydrophobicContact CG-CG2 4.07Å; L34-V38 WeakPolarHBondContact O-CG2 3.15Å; L34-V38 PolarHBondContact O-N 3.48Å; L34-L51 HydrophobicContact CD1-CD2 4.02Å; L34-L51 HydrophobicContact CD2-CD1 3.75Å; L34-L51 HydrophobicContact CD2-CD2 4.18Å; L34-L60 HydrophobicContact CD2-CD1 4.43Å; L34-M64 HydrophobicContact CD2-CE 3.89Å; L34-M64 HydrophobicContact CD2-SD 3.58Å; L34-M64 VanDerWaalsContact CD2-SD 3.58Å
35L96.8Very high96.9Very high18 Ų1825 Ų259%0.09414%0.141CC..Hα-helixtrans-72.4-25.2-173-171.360.2000112.5K31 P32 I33 Q37 V38 E39 Q67 L71K31-L35 HydrophobicContact CD-CB 4.11Å; K31-L35 HydrophobicContact CD-CD2 4.24Å; K31-L35 HydrophobicContact CD-CG 4.05Å; K31-L35 HydrophobicContact CG-CB 3.93Å; K31-L35 HydrophobicContact CG-CD2 3.94Å; K31-L35 HydrophobicContact CG-CG 4.13Å; P32-L35 HydrophobicContact CB-CB 4.12Å; P32-L35 WeakPolarHBondContact O-CB 3.39Å; P32-L35 PolarHBondContact O-N 3.4Å; I33-L35 VanDerWaalsContact C-N 3.25Å; I33-L35 PolarHBondContact O-N 2.92Å; L35-Q37 VanDerWaalsContact C-N 3.31Å; L35-Q37 PolarHBondContact O-N 3.28Å; L35-V38 HydrophobicContact CD1-CB 4.48Å; L35-E39 HydrophobicContact CD1-CG 3.88Å; L35-E39 HydrophobicContact CG-CG 4.09Å; L35-E39 WeakPolarHBondContact O-CB 3.46Å; L35-E39 WeakPolarHBondContact O-CG 3.3Å; L35-E39 PolarHBondContact O-N 3.12Å; L35-Q67 HydrophobicContact CD1-CG 4.26Å; L35-L71 HydrophobicContact CD1-CD1 4.09Å
36H97.6Very high97.1Very high12 Ų1224.6 Ų24.66%0.05614%0.139CC..Hα-helixtrans-60.4-42.6169.8-68.7-87.2000111.6F28 K31 P32 I33 L34 A40 I112 F115 Y232F28-H36 AromaticContact CD1-NE2 3.94Å; F28-H36 PolarHBondContact O-NE2 2.87Å; K31-H36 PolarHBondContact O-NE2 3.25Å; P32-H36 PolarHBondContact O-CD2 3.23Å; P32-H36 VanDerWaalsContact O-CD2 3.3Å; P32-H36 PolarHBondContact O-N 3.39Å; I33-H36 PolarHBondContact O-N 2.88Å; L34-H36 VanDerWaalsContact C-N 3.3Å; L34-H36 PolarHBondContact O-N 2.95Å; H36-A40 WeakPolarHBondContact O-CB 2.74Å; H36-A40 PolarHBondContact O-N 3.17Å; H36-I112 HydrophobicContact CB-CD1 3.98Å; H36-F115 HydrophobicContact CB-CE2 4.1Å; H36-Y232 AromaticContact CE1-CE2 3.84Å; H36-Y232 AromaticContact CE1-CZ 3.81Å; H36-Y232 AromaticContact ND1-CE2 3.84Å
37Q97.3Very high97.2Very high1 Ų129.1 Ų29.11%0.00516%0.163CC..Hα-helixtrans-71.9-48.8178.7-70.1167.572.800111.4I5 L34 L35 E39 A40 L41 L107 N108 S109 F115I5-Q37 HydrophobicContact CD1-CB 4.34Å; L34-Q37 WeakPolarHBondContact O-CB 3.25Å; L34-Q37 PolarHBondContact O-N 2.8Å; L34-Q37 VanDerWaalsContact O-N 3.14Å; L35-Q37 VanDerWaalsContact C-N 3.31Å; L35-Q37 PolarHBondContact O-N 3.28Å; Q37-E39 PolarHBondContact O-N 2.94Å; Q37-A40 PolarHBondContact O-N 3.26Å; Q37-L41 VanDerWaalsContact O-CG 3.31Å; Q37-L41 WeakPolarHBondContact O-CG 3.28Å; Q37-L41 PolarHBondContact O-N 2.65Å; Q37-L107 HydrophobicContact CB-CD2 4.31Å; Q37-L107 HydrophobicContact CG-CD2 4.24Å; Q37-N108 PolarHBondContact OE1-O 3.45Å; Q37-S109 PolarHBondContact NE2-O 3.29Å; Q37-F115 HydrophobicContact CB-CZ 4.35Å; Q37-F115 HydrophobicContact CG-CE1 3.57Å; Q37-F115 HydrophobicContact CG-CE2 4.32Å; Q37-F115 HydrophobicContact CG-CZ 3.41Å; Q37-F115 VanDerWaalsContact CG-CZ 3.41Å
38V97.9Very high97.2Very high3 Ų327.9 Ų27.92%0.01816%0.157CC..Hα-helixtrans-60.3-48.2-178.1176.30000110.8I5 L34 L35 A40 L41 V42 V49 L71 I73I5-V38 HydrophobicContact CD1-CG2 3.89Å; L34-V38 HydrophobicContact CD1-CG2 4.3Å; L34-V38 HydrophobicContact CG-CG2 4.07Å; L34-V38 WeakPolarHBondContact O-CG2 3.15Å; L34-V38 PolarHBondContact O-N 3.48Å; L35-V38 HydrophobicContact CD1-CB 4.48Å; V38-A40 VanDerWaalsContact C-N 3.29Å; V38-A40 PolarHBondContact O-N 3.24Å; V38-L41 WeakPolarHBondContact O-CB 3.24Å; V38-L41 PolarHBondContact O-N 3.21Å; V38-L41 VanDerWaalsContact O-N 3.14Å; V38-V42 HydrophobicContact CG1-CG2 4.45Å; V38-V42 WeakPolarHBondContact O-CG2 3.23Å; V38-V42 PolarHBondContact O-N 3.4Å; V38-V49 HydrophobicContact CG1-CG2 4.48Å; V38-V49 HydrophobicContact CG2-CG1 4.46Å; V38-L71 HydrophobicContact CG1-CD1 3.55Å; V38-I73 HydrophobicContact CG1-CD1 3.79Å
39E97.7Very high97.2Very high34 Ų3427.9 Ų27.916%0.15916%0.157CC..Hα-helixtrans-63.2-35.2178.5-72.5-178.1171.500112.8K31 L35 Q37 K43 R70 L71K31-E39 IonicContact NZ-OE2 3.93Å; K31-E39 PolarHBondContact NZ-OE2 2.81Å; L35-E39 HydrophobicContact CD1-CG 3.88Å; L35-E39 HydrophobicContact CG-CG 4.09Å; L35-E39 WeakPolarHBondContact O-CB 3.46Å; L35-E39 WeakPolarHBondContact O-CG 3.3Å; L35-E39 PolarHBondContact O-N 3.12Å; Q37-E39 PolarHBondContact O-N 2.94Å; E39-K43 WeakPolarHBondContact O-CG 3.49Å; E39-K43 PolarHBondContact O-N 3.48Å; E39-K43 VanDerWaalsContact O-N 3.12Å; E39-R70 IonicContact OE1-CZ 2.65Å; E39-R70 IonicContact OE1-NH1 2.96Å; E39-R70 PolarHBondContact OE1-NH1 2.99Å; E39-R70 IonicContact OE1-NH2 2.8Å; E39-R70 PolarHBondContact OE1-NH2 2.86Å; E39-L71 HydrophobicContact CG-CD2 4.05Å
40A97.4Very high97.2Very high19 Ų1927.8 Ų27.816%0.15716%0.157CC..Hα-helixtrans-67.1-39.5174.300000112.1H36 Q37 V38 K43 A44 F115 F117H36-A40 WeakPolarHBondContact O-CB 2.74Å; H36-A40 PolarHBondContact O-N 3.17Å; Q37-A40 PolarHBondContact O-N 3.26Å; V38-A40 VanDerWaalsContact C-N 3.29Å; V38-A40 PolarHBondContact O-N 3.24Å; A40-K43 PolarHBondContact O-N 2.85Å; A40-A44 PolarHBondContact O-N 2.99Å; A40-F115 HydrophobicContact CB-CB 3.7Å; A40-F115 HydrophobicContact CB-CD2 3.68Å; A40-F115 HydrophobicContact CB-CG 3.83Å; A40-F117 HydrophobicContact CB-CD2 3.91Å; A40-F117 HydrophobicContact CB-CE2 3.62Å
41L98.2Very high97.2Very high0 Ų025.7 Ų25.70%015%0.146CC..Hα-helixtrans-63.8-43.8174.5-71.4165.2000111.7A3 I5 Q37 V38 K43 A44 G45 V46 F105 L107 F117A3-L41 HydrophobicContact CB-CD1 3.74Å; A3-L41 HydrophobicContact CB-CD2 4Å; A3-L41 HydrophobicContact CB-CG 4.42Å; I5-L41 HydrophobicContact CD1-CD1 3.98Å; I5-L41 HydrophobicContact CG1-CD1 4.37Å; Q37-L41 VanDerWaalsContact O-CG 3.31Å; Q37-L41 WeakPolarHBondContact O-CG 3.28Å; Q37-L41 PolarHBondContact O-N 2.65Å; V38-L41 WeakPolarHBondContact O-CB 3.24Å; V38-L41 PolarHBondContact O-N 3.21Å; V38-L41 VanDerWaalsContact O-N 3.14Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 2.95Å; L41-A44 CarbonylContact O-C 3.53Å; L41-A44 WeakPolarHBondContact O-CA 3.41Å; L41-A44 WeakPolarHBondContact O-CB 3.35Å; L41-A44 PolarHBondContact O-N 3.24Å; L41-G45 PolarHBondContact O-N 3.41Å; L41-V46 HydrophobicContact CB-CB 3.94Å; L41-V46 HydrophobicContact CB-CG1 4.38Å; L41-V46 HydrophobicContact CB-CG2 3.92Å; L41-V46 HydrophobicContact CD2-CG2 4.01Å; L41-V46 WeakPolarHBondContact O-CB 2.93Å; L41-V46 WeakPolarHBondContact O-CG2 3.4Å; L41-V46 PolarHBondContact O-N 3.49Å; L41-F105 HydrophobicContact CD2-CB 3.93Å; L41-F105 HydrophobicContact CD2-CD2 3.82Å; L41-F105 HydrophobicContact CD2-CE2 4.48Å; L41-F105 HydrophobicContact CD2-CG 3.89Å; L41-L107 HydrophobicContact CD1-CD1 3.96Å; L41-L107 HydrophobicContact CD1-CD2 4.38Å; L41-L107 HydrophobicContact CD2-CD1 4.08Å; L41-F117 HydrophobicContact CD2-CD1 4.2Å; L41-F117 HydrophobicContact CD2-CD2 3.72Å; L41-F117 HydrophobicContact CD2-CE1 4.16Å; L41-F117 HydrophobicContact CD2-CE2 3.64Å; L41-F117 HydrophobicContact CD2-CG 4.03Å; L41-F117 HydrophobicContact CD2-CZ 3.92Å; L41-F117 HydrophobicContact CG-CD2 4.01Å; L41-F117 HydrophobicContact CG-CE2 3.64Å; L41-F117 HydrophobicContact CG-CZ 4.18Å
42V98.1Very high97Very high42 Ų4223.9 Ų23.926%0.25514%0.138SC..Hα-helixtrans-58.7-44.2175.6176.40000110.9V38 A44 G45 L71 I73V38-V42 HydrophobicContact CG1-CG2 4.45Å; V38-V42 WeakPolarHBondContact O-CG2 3.23Å; V38-V42 PolarHBondContact O-N 3.4Å; V42-A44 PolarHBondContact O-N 3.42Å; V42-A44 VanDerWaalsContact O-N 3.17Å; V42-G45 PolarHBondContact O-N 2.99Å; V42-L71 HydrophobicContact CG2-CD1 4.47Å; V42-I73 HydrophobicContact CG1-CG2 4.34Å; V42-I73 HydrophobicContact CG2-CD1 3.81Å; V42-I73 HydrophobicContact CG2-CG2 3.69Å
43K97.1Very high96.8Very high157 Ų15722.2 Ų22.268%0.68313%0.127SC*.Hα-helixtrans-61.2-23.7175.4-72.5174.1-176.2-178.60113.4E39 A40 L41 K118E39-K43 WeakPolarHBondContact O-CG 3.49Å; E39-K43 PolarHBondContact O-N 3.48Å; E39-K43 VanDerWaalsContact O-N 3.12Å; A40-K43 PolarHBondContact O-N 2.85Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 2.95Å; K43-K118 WeakPolarHBondContact O-CE 3.3Å
44A97.3Very high96.1Very high16 Ų1623.9 Ų23.913%0.13214%0.139CC..THydrogen-bonded Turntrans-88.90.4175.400000113.7A40 L41 V42 F117 K118A40-A44 PolarHBondContact O-N 2.99Å; L41-A44 CarbonylContact O-C 3.53Å; L41-A44 WeakPolarHBondContact O-CA 3.41Å; L41-A44 WeakPolarHBondContact O-CB 3.35Å; L41-A44 PolarHBondContact O-N 3.24Å; V42-A44 PolarHBondContact O-N 3.42Å; V42-A44 VanDerWaalsContact O-N 3.17Å; A44-F117 HydrophobicContact CB-CB 3.5Å; A44-F117 VanDerWaalsContact CB-CB 3.5Å; A44-F117 HydrophobicContact CB-CG 4.5Å; A44-K118 HydrophobicContact CB-CG 4.21Å
45G96.8Very high95.2Very high48 Ų4830.7 Ų30.750%0.49517%0.166SC..THydrogen-bonded Turntrans94.113.217800000114.6L41 V42 N47L41-G45 PolarHBondContact O-N 3.41Å; V42-G45 PolarHBondContact O-N 2.99Å; G45-N47 PolarHBondContact O-N 2.98Å
46V97.9Very high93.8Very high3 Ų332 Ų322%0.01817%0.172CC..  trans-72.2127.2171.4177.60000109.4M1 A3 L41 H48 V49 F105M1-V46 HydrophobicContact CG-CG2 4.29Å; M1-V46 WeakPolarHBondContact O-CA 3.36Å; A3-V46 HydrophobicContact CB-CG1 3.94Å; A3-V46 HydrophobicContact CB-CG2 4.41Å; L41-V46 HydrophobicContact CB-CB 3.94Å; L41-V46 HydrophobicContact CB-CG1 4.38Å; L41-V46 HydrophobicContact CB-CG2 3.92Å; L41-V46 HydrophobicContact CD2-CG2 4.01Å; L41-V46 WeakPolarHBondContact O-CB 2.93Å; L41-V46 WeakPolarHBondContact O-CG2 3.4Å; L41-V46 PolarHBondContact O-N 3.49Å; V46-H48 WeakPolarHBondContact CG1-O 3.04Å; V46-V49 HydrophobicContact CG1-CG2 3.87Å; V46-F105 HydrophobicContact CG2-CD2 3.61Å; V46-F105 HydrophobicContact CG2-CE2 3.77Å
47N97.1Very high92.7Very high94 Ų9432 Ų3250%0.50317%0.173SC..  trans-114.9-5.6178.363.31.2000113.3M1 G45 I73 Q74M1-N47 PolarHBondContact O-N 3.24Å; M1-N47 VanDerWaalsContact O-N 3.12Å; M1-N47 PolarHBondContact O-OD1 3.01Å; G45-N47 PolarHBondContact O-N 2.98Å; N47-I73 WeakPolarHBondContact O-CA 3.36Å; N47-I73 WeakPolarHBondContact O-CB 3.35Å; N47-Q74 PolarHBondContact O-N 2.87Å
48H97.8Very high92.1Very high14 Ų1440.2 Ų40.27%0.06521%0.212CC..EExtended strand (participates in β ladder)trans-140119.2176-175-168.6000110.6K2 A3 V46 Q74 S76K2-H48 CarbonylContact C-O 3.57Å; K2-H48 VanDerWaalsContact CA-O 3.28Å; K2-H48 WeakPolarHBondContact CA-O 3.37Å; K2-H48 HydrophobicContact CG-CB 4.25Å; A3-H48 PolarHBondContact N-O 3.43Å; V46-H48 WeakPolarHBondContact CG1-O 3.04Å; H48-Q74 CarbonylContact C-O 3.57Å; H48-Q74 WeakPolarHBondContact CA-O 3.01Å; H48-Q74 HydrophobicContact CB-CB 4.35Å; H48-S76 PolarHBondContact NE2-OG 3.3Å
49V98.2Very high91.7Very high0 Ų043.5 Ų43.50%023%0.229CC..EExtended strand (participates in β ladder)trans-111.6125.6176.6177.80000109.6A3 I5 V38 V46 L51 I73 Q74 I75 S76A3-V49 HydrophobicContact CB-CG2 4.49Å; A3-V49 CarbonylContact O-C 3.57Å; A3-V49 WeakPolarHBondContact O-CA 3.49Å; I5-V49 HydrophobicContact CD1-CG1 3.86Å; I5-V49 HydrophobicContact CG1-CG1 4.15Å; V38-V49 HydrophobicContact CG1-CG2 4.48Å; V38-V49 HydrophobicContact CG2-CG1 4.46Å; V46-V49 HydrophobicContact CG1-CG2 3.87Å; V49-L51 HydrophobicContact CG1-CD2 3.71Å; V49-L51 HydrophobicContact CG1-CG 4.45Å; V49-I73 HydrophobicContact CG2-CD1 3.92Å; V49-Q74 PolarHBondContact N-O 3.09Å; V49-I75 CarbonylContact O-C 3.48Å; V49-I75 WeakPolarHBondContact O-CA 3.31Å; V49-S76 PolarHBondContact O-N 3.37Å
50V97.1Very high91.3Very high0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-101.3119.6173.2-1750000108.5A3 L4 I5 S76 A93 L96 L97A3-V50 PolarHBondContact O-N 3.32Å; L4-V50 CarbonylContact C-O 3.56Å; L4-V50 VanDerWaalsContact CA-O 3.25Å; L4-V50 WeakPolarHBondContact CA-O 3.15Å; L4-V50 HydrophobicContact CD1-CG1 4.36Å; L4-V50 HydrophobicContact CG-CB 4.49Å; I5-V50 PolarHBondContact N-O 3.4Å; V50-S76 CarbonylContact C-O 3.58Å; V50-S76 WeakPolarHBondContact CA-O 3.3Å; V50-A93 HydrophobicContact CG1-CB 4.07Å; V50-L96 HydrophobicContact CG1-CD1 4.12Å; V50-L96 HydrophobicContact CG2-CB 4.17Å; V50-L96 HydrophobicContact CG2-CD1 4.13Å; V50-L97 HydrophobicContact CG2-CD2 4.48Å
51L96.2Very high91Very high0 Ų044.2 Ų44.20%023%0.229CC..EExtended strand (participates in β ladder)trans-95.5113.2173.6-54.6-176.6000108.9I5 V7 L34 V49 V53 M64 I75 S76 L77 S78I5-L51 HydrophobicContact CB-CD2 3.84Å; I5-L51 HydrophobicContact CD1-CD2 4Å; I5-L51 HydrophobicContact CG1-CD2 4.22Å; V7-L51 HydrophobicContact CG2-CB 4.19Å; V7-L51 HydrophobicContact CG2-CD2 4.21Å; L34-L51 HydrophobicContact CD1-CD2 4.02Å; L34-L51 HydrophobicContact CD2-CD1 3.75Å; L34-L51 HydrophobicContact CD2-CD2 4.18Å; V49-L51 HydrophobicContact CG1-CD2 3.71Å; V49-L51 HydrophobicContact CG1-CG 4.45Å; L51-V53 HydrophobicContact CB-CG1 4.1Å; L51-V53 PolarHBondContact O-N 2.94Å; L51-M64 HydrophobicContact CD1-CG 3.67Å; L51-M64 HydrophobicContact CD1-SD 3.6Å; L51-M64 VanDerWaalsContact CD1-SD 3.6Å; L51-I75 HydrophobicContact CD1-CG2 3.99Å; L51-I75 HydrophobicContact CG-CG2 4.12Å; L51-S76 PolarHBondContact N-O 2.81Å; L51-L77 HydrophobicContact CB-CD2 3.78Å; L51-L77 HydrophobicContact CD1-CD2 3.67Å; L51-L77 HydrophobicContact CG-CD2 4.05Å; L51-S78 PolarHBondContact O-N 3.18Å
52A94.1Very high90.8Very high3 Ų352.7 Ų52.73%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-81.8102.7173.800000109.5L4 I5 L6 V7 P89L4-A52 HydrophobicContact CD2-CB 4.05Å; L4-A52 HydrophobicContact CG-CB 4.4Å; I5-A52 PolarHBondContact O-N 2.91Å; L6-A52 HydrophobicContact CD2-CB 4.18Å; V7-A52 CarbonylContact C-O 3.58Å; V7-A52 VanDerWaalsContact CA-O 3.26Å; V7-A52 WeakPolarHBondContact CA-O 3.46Å; V7-A52 VanDerWaalsContact CB-O 3.3Å; V7-A52 WeakPolarHBondContact CB-O 3.37Å; V7-A52 PolarHBondContact N-O 2.73Å; A52-P89 HydrophobicContact CB-CB 3.48Å; A52-P89 VanDerWaalsContact CB-CB 3.48Å; A52-P89 HydrophobicContact CB-CG 4.21Å
53V90.8Very high90.5Very high1 Ų153.6 Ų53.61%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-115.7132.6-170.9-65.10000110.7V7 L51 M56 L60 L77 S78 H79 E80V7-V53 HydrophobicContact CB-CG1 3.83Å; V7-V53 HydrophobicContact CG1-CG1 3.82Å; L51-V53 HydrophobicContact CB-CG1 4.1Å; L51-V53 PolarHBondContact O-N 2.94Å; V53-M56 HydrophobicContact CG2-CE 3.6Å; V53-M56 HydrophobicContact CG2-SD 3.75Å; V53-L60 HydrophobicContact CG1-CD2 3.77Å; V53-L77 HydrophobicContact CG2-CB 4.42Å; V53-S78 PolarHBondContact N-O 3.28Å; V53-H79 WeakPolarHBondContact O-CA 3.39Å; V53-H79 PolarHBondContact O-CD2 2.9Å; V53-E80 PolarHBondContact O-N 2.9Å
54S82.4Confident90.4Very high36 Ų3646.7 Ų46.725%0.25223%0.233SC..SBendtrans-87.1-28.5172.762.80000112.5H79S54-H79 PolarHBondContact O-NE2 3.36Å
55Y75.3Confident90.2Very high143 Ų14353.6 Ų53.656%0.56126%0.255SS*.SBendtrans-127.1125.2176.9176-107.6000109.2
56M68.1Low90.2Very high47 Ų4754.7 Ų54.723%0.23225%0.252CS..  trans-94.798.5177.4-160.570.982.400108.9V53 E61 L77 H79V53-M56 HydrophobicContact CG2-CE 3.6Å; V53-M56 HydrophobicContact CG2-SD 3.75Å; M56-E61 HydrophobicContact CG-CG 3.75Å; M56-E61 WeakPolarHBondContact CG-OE1 3.27Å; M56-E61 HydrophobicContact SD-CG 3.83Å; M56-L77 HydrophobicContact CE-CB 3.57Å; M56-L77 HydrophobicContact CE-CD1 4.02Å; M56-L77 HydrophobicContact CE-CG 4.42Å; M56-L77 HydrophobicContact SD-CB 4.02Å; M56-L77 HydrophobicContact SD-CD1 3.45Å; M56-L77 WeakPolarHBondContact SD-CD1 3.33Å; M56-L77 HydrophobicContact SD-CG 4.29Å; M56-H79 HydrophobicContact CE-CB 3.93Å
57S74.5Confident90.1Very high11 Ų1155.8 Ų55.88%0.07726%0.257CS..  trans-84.3135.9169.272.80000109.4P22 L59 L60 E61P22-S57 VanDerWaalsContact CG-OG 3.29Å; P22-S57 WeakPolarHBondContact CG-OG 3.48Å; S57-L59 PolarHBondContact O-N 3.26Å; S57-L59 VanDerWaalsContact O-N 3.13Å; S57-L60 PolarHBondContact O-N 2.99Å; S57-L60 VanDerWaalsContact OG-CB 3.25Å; S57-L60 WeakPolarHBondContact OG-CB 3.41Å; S57-L60 PolarHBondContact OG-N 2.97Å; S57-E61 PolarHBondContact O-N 2.9Å; S57-E61 VanDerWaalsContact O-N 3.12Å
58E85.3Confident90.1Very high174 Ų17454 Ų5481%0.81325%0.246SC*.Hα-helixtrans-53.7-33172.7-64.4-180175.200111.4E61 R62E58-E61 PolarHBondContact O-N 2.77Å; E58-R62 VanDerWaalsContact O-CB 3.31Å; E58-R62 WeakPolarHBondContact O-CB 3.06Å; E58-R62 PolarHBondContact O-N 3.38Å
59L88.2Confident90Very high72 Ų7261.1 Ų61.138%0.37728%0.279SS..Hα-helixtrans-61.4-47.2174.6-176.163.2000112L25 S57 R62 E63L25-L59 HydrophobicContact CD1-CB 4.48Å; L25-L59 HydrophobicContact CD1-CD2 3.97Å; L25-L59 HydrophobicContact CD1-CG 3.69Å; S57-L59 PolarHBondContact O-N 3.26Å; S57-L59 VanDerWaalsContact O-N 3.13Å; L59-R62 PolarHBondContact O-N 3.03Å; L59-E63 HydrophobicContact CD1-CG 4.28Å; L59-E63 WeakPolarHBondContact O-CB 3.21Å; L59-E63 WeakPolarHBondContact O-CG 3.24Å; L59-E63 PolarHBondContact O-N 3.15Å
60L89.9Confident90Very high3 Ų367.4 Ų67.42%0.01630%0.303CS..Hα-helixtrans-63.1-45.5177.8-178.764.9000110.9V7 L25 L34 V53 S57 R62 E63 M64V7-L60 HydrophobicContact CG1-CD2 4.47Å; L25-L60 HydrophobicContact CD1-CB 4.42Å; L25-L60 HydrophobicContact CD1-CD1 4.34Å; L25-L60 HydrophobicContact CD2-CD1 4.03Å; L25-L60 HydrophobicContact CG-CD1 4.02Å; L34-L60 HydrophobicContact CD2-CD1 4.43Å; V53-L60 HydrophobicContact CG1-CD2 3.77Å; S57-L60 PolarHBondContact O-N 2.99Å; S57-L60 VanDerWaalsContact OG-CB 3.25Å; S57-L60 WeakPolarHBondContact OG-CB 3.41Å; S57-L60 PolarHBondContact OG-N 2.97Å; L60-R62 PolarHBondContact O-N 2.9Å; L60-E63 PolarHBondContact O-N 3.45Å; L60-M64 HydrophobicContact CD1-CE 4.31Å; L60-M64 HydrophobicContact CD1-CG 3.96Å; L60-M64 HydrophobicContact CD1-SD 4.5Å; L60-M64 HydrophobicContact CG-CG 4.28Å; L60-M64 WeakPolarHBondContact O-CB 3.26Å; L60-M64 WeakPolarHBondContact O-CG 3.28Å; L60-M64 PolarHBondContact O-N 3.06Å
61E90.5Very high90Very high65 Ų6569 Ų6930%0.30431%0.311SS..Hα-helixtrans-59.7-48178.5-58.5-159.7158.100112.1M56 S57 E58 M64 R65 L77M56-E61 HydrophobicContact CG-CG 3.75Å; M56-E61 WeakPolarHBondContact CG-OE1 3.27Å; M56-E61 HydrophobicContact SD-CG 3.83Å; S57-E61 PolarHBondContact O-N 2.9Å; S57-E61 VanDerWaalsContact O-N 3.12Å; E58-E61 PolarHBondContact O-N 2.77Å; E61-M64 PolarHBondContact O-N 2.76Å; E61-R65 WeakPolarHBondContact O-CG 3.34Å; E61-R65 PolarHBondContact O-N 2.89Å; E61-L77 HydrophobicContact CB-CD1 4.21Å; E61-L77 HydrophobicContact CG-CD1 3.64Å
62R93.3Very high90Very high177 Ų17772.3 Ų72.367%0.66835%0.345SS*.Hα-helixtrans-60.4-48.9-179.4-179.4-177.6174-173.5-2.2111.2E58 L59 L60 M64 R65 V66E58-R62 VanDerWaalsContact O-CB 3.31Å; E58-R62 WeakPolarHBondContact O-CB 3.06Å; E58-R62 PolarHBondContact O-N 3.38Å; L59-R62 PolarHBondContact O-N 3.03Å; L60-R62 PolarHBondContact O-N 2.9Å; R62-M64 VanDerWaalsContact C-N 3.34Å; R62-M64 PolarHBondContact O-N 3.22Å; R62-R65 PolarHBondContact O-N 3.34Å; R62-V66 PolarHBondContact O-N 3.2Å
63E92.9Very high90.2Very high61 Ų6173 Ų7329%0.28535%0.348SS..Hα-helixtrans-63.1-41.6179.3-71.8-53.9134.200111.4L25 L59 L60 R65 V66 Q67L25-E63 HydrophobicContact CD1-CB 4.4Å; L25-E63 HydrophobicContact CD1-CG 4.13Å; L25-E63 HydrophobicContact CD2-CB 4Å; L25-E63 HydrophobicContact CD2-CG 4.29Å; L59-E63 HydrophobicContact CD1-CG 4.28Å; L59-E63 WeakPolarHBondContact O-CB 3.21Å; L59-E63 WeakPolarHBondContact O-CG 3.24Å; L59-E63 PolarHBondContact O-N 3.15Å; L60-E63 PolarHBondContact O-N 3.45Å; E63-R65 VanDerWaalsContact C-N 3.35Å; E63-R65 PolarHBondContact O-N 3.07Å; E63-V66 WeakPolarHBondContact O-CB 3.29Å; E63-V66 PolarHBondContact O-N 3.34Å; E63-Q67 WeakPolarHBondContact O-CG 3.33Å; E63-Q67 PolarHBondContact O-N 3.31Å
64M94Very high90.5Very high12 Ų1277.6 Ų77.66%0.05937%0.37CS..Hα-helixtrans-64.3-36.8179-70.7-54.39700112.8L25 L34 L51 L60 E61 R62 V66 Q67 E68 I75 L77L25-M64 HydrophobicContact CD2-CE 4.06Å; L34-M64 HydrophobicContact CD2-CE 3.89Å; L34-M64 HydrophobicContact CD2-SD 3.58Å; L34-M64 VanDerWaalsContact CD2-SD 3.58Å; L51-M64 HydrophobicContact CD1-CG 3.67Å; L51-M64 HydrophobicContact CD1-SD 3.6Å; L51-M64 VanDerWaalsContact CD1-SD 3.6Å; L60-M64 HydrophobicContact CD1-CE 4.31Å; L60-M64 HydrophobicContact CD1-CG 3.96Å; L60-M64 HydrophobicContact CD1-SD 4.5Å; L60-M64 HydrophobicContact CG-CG 4.28Å; L60-M64 WeakPolarHBondContact O-CB 3.26Å; L60-M64 WeakPolarHBondContact O-CG 3.28Å; L60-M64 PolarHBondContact O-N 3.06Å; E61-M64 PolarHBondContact O-N 2.76Å; R62-M64 VanDerWaalsContact C-N 3.34Å; R62-M64 PolarHBondContact O-N 3.22Å; M64-V66 VanDerWaalsContact C-N 3.32Å; M64-V66 PolarHBondContact O-N 3.14Å; M64-Q67 HydrophobicContact CE-CG 4.12Å; M64-Q67 PolarHBondContact O-N 3.46Å; M64-E68 VanDerWaalsContact O-CB 3.28Å; M64-E68 WeakPolarHBondContact O-CB 3.36Å; M64-E68 PolarHBondContact O-N 3.01Å; M64-I75 HydrophobicContact CB-CG2 4.15Å; M64-I75 HydrophobicContact CG-CG2 4.37Å; M64-I75 HydrophobicContact SD-CD1 4.3Å; M64-I75 HydrophobicContact SD-CG2 4.45Å; M64-L77 HydrophobicContact CG-CD2 4.48Å
65R94.6Very high91.2Very high162 Ų16276.7 Ų76.761%0.61136%0.362SS*.Hα-helixtrans-61.6-39.7173.3-70.2178.7-169.5-159.16.1112.6E61 R62 E63 Q69E61-R65 WeakPolarHBondContact O-CG 3.34Å; E61-R65 PolarHBondContact O-N 2.89Å; R62-R65 PolarHBondContact O-N 3.34Å; E63-R65 VanDerWaalsContact C-N 3.35Å; E63-R65 PolarHBondContact O-N 3.07Å; R65-Q69 WeakPolarHBondContact O-CG 3.38Å; R65-Q69 PolarHBondContact O-N 2.96Å
66V96Very high92.1Very high71 Ų7171 Ų7143%0.4334%0.343SS..Hα-helixtrans-65-43.5175.9175.50000110.5R62 E63 M64 R70R62-V66 PolarHBondContact O-N 3.2Å; E63-V66 WeakPolarHBondContact O-CB 3.29Å; E63-V66 PolarHBondContact O-N 3.34Å; M64-V66 VanDerWaalsContact C-N 3.32Å; M64-V66 PolarHBondContact O-N 3.14Å; V66-R70 WeakPolarHBondContact O-CB 3.3Å; V66-R70 PolarHBondContact O-N 2.66Å
67Q96.4Very high93.3Very high25 Ų2571 Ų7112%0.11734%0.344CS..Hα-helixtrans-69.1-37.7179-60.1-45.6-49.900112.7L35 E63 M64 Q69 R70 L71 I75L35-Q67 HydrophobicContact CD1-CG 4.26Å; E63-Q67 WeakPolarHBondContact O-CG 3.33Å; E63-Q67 PolarHBondContact O-N 3.31Å; M64-Q67 HydrophobicContact CE-CG 4.12Å; M64-Q67 PolarHBondContact O-N 3.46Å; Q67-Q69 PolarHBondContact O-N 2.69Å; Q67-R70 PolarHBondContact O-N 3.45Å; Q67-R70 VanDerWaalsContact OE1-CZ 3.29Å; Q67-L71 HydrophobicContact CB-CD1 4.44Å; Q67-L71 VanDerWaalsContact O-CB 3.26Å; Q67-L71 WeakPolarHBondContact O-CB 3.27Å; Q67-L71 VanDerWaalsContact O-CG 3.27Å; Q67-L71 WeakPolarHBondContact O-CG 3.44Å; Q67-L71 PolarHBondContact O-N 2.77Å; Q67-I75 HydrophobicContact CB-CD1 4.31Å
68E96.3Very high94.2Very high57 Ų5771.2 Ų71.227%0.26635%0.345SS..Hα-helixtrans-53.7-52.5175.1-170.9178.9-14900110.6M64 L71 G72 I73 Q74 I75M64-E68 VanDerWaalsContact O-CB 3.28Å; M64-E68 WeakPolarHBondContact O-CB 3.36Å; M64-E68 PolarHBondContact O-N 3.01Å; E68-L71 PolarHBondContact O-N 2.87Å; E68-G72 PolarHBondContact O-N 2.96Å; E68-I73 WeakPolarHBondContact CG-O 3.35Å; E68-I73 PolarHBondContact O-N 3.06Å; E68-Q74 WeakPolarHBondContact OE1-CA 3.46Å; E68-I75 HydrophobicContact CB-CB 4.34Å; E68-I75 HydrophobicContact CB-CD1 4.11Å; E68-I75 HydrophobicContact CB-CG1 4.09Å; E68-I75 HydrophobicContact CG-CB 4.35Å; E68-I75 HydrophobicContact CG-CG1 4.23Å; E68-I75 PolarHBondContact OE1-N 3.04Å
69Q96.1Very high94.4Very high164 Ų16466.9 Ų66.977%0.76633%0.325SS*.Hα-helixtrans-64-45.1177.5-68.2178.3-3.400112.6R65 Q67 L71 G72R65-Q69 WeakPolarHBondContact O-CG 3.38Å; R65-Q69 PolarHBondContact O-N 2.96Å; Q67-Q69 PolarHBondContact O-N 2.69Å; Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 3.33Å; Q69-G72 PolarHBondContact O-N 2.76Å
70R97.3Very high94.4Very high132 Ų13264.4 Ų64.450%0.49831%0.311SS..Hα-helixtrans-63.3-37.4-178.6-174.2-177.569.694.5-2.2112.5E39 V66 Q67E39-R70 IonicContact OE1-CZ 2.65Å; E39-R70 IonicContact OE1-NH1 2.96Å; E39-R70 PolarHBondContact OE1-NH1 2.99Å; E39-R70 IonicContact OE1-NH2 2.8Å; E39-R70 PolarHBondContact OE1-NH2 2.86Å; V66-R70 WeakPolarHBondContact O-CB 3.3Å; V66-R70 PolarHBondContact O-N 2.66Å; Q67-R70 PolarHBondContact O-N 3.45Å; Q67-R70 VanDerWaalsContact OE1-CZ 3.29Å
71L97.2Very high94.1Very high33 Ų3373.1 Ų73.117%0.17335%0.349CS..Hα-helixtrans-92.1-14.1-174.8-65174.9000113.2L35 V38 E39 V42 Q67 E68 Q69 I73L35-L71 HydrophobicContact CD1-CD1 4.09Å; V38-L71 HydrophobicContact CG1-CD1 3.55Å; E39-L71 HydrophobicContact CG-CD2 4.05Å; V42-L71 HydrophobicContact CG2-CD1 4.47Å; Q67-L71 HydrophobicContact CB-CD1 4.44Å; Q67-L71 VanDerWaalsContact O-CB 3.26Å; Q67-L71 WeakPolarHBondContact O-CB 3.27Å; Q67-L71 VanDerWaalsContact O-CG 3.27Å; Q67-L71 WeakPolarHBondContact O-CG 3.44Å; Q67-L71 PolarHBondContact O-N 2.77Å; E68-L71 PolarHBondContact O-N 2.87Å; Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 3.33Å; L71-I73 VanDerWaalsContact C-N 3.31Å; L71-I73 HydrophobicContact CB-CD1 4.43Å; L71-I73 HydrophobicContact CB-CG1 4.04Å; L71-I73 HydrophobicContact CD1-CD1 4.32Å; L71-I73 PolarHBondContact O-N 2.77Å
72G97.1Very high93.9Very high69 Ų6976.6 Ų76.671%0.71137%0.365SS*.THydrogen-bonded Turntrans6633.6-178.700000113E68 Q69E68-G72 PolarHBondContact O-N 2.96Å; Q69-G72 PolarHBondContact O-N 2.76Å
73I97.8Very high93.6Very high17 Ų1773.6 Ų73.69%0.08737%0.368CS..SBendtrans-119.5171.617665.3170.9000109.8V38 V42 N47 V49 E68 L71 I75V38-I73 HydrophobicContact CG1-CD1 3.79Å; V42-I73 HydrophobicContact CG1-CG2 4.34Å; V42-I73 HydrophobicContact CG2-CD1 3.81Å; V42-I73 HydrophobicContact CG2-CG2 3.69Å; N47-I73 WeakPolarHBondContact O-CA 3.36Å; N47-I73 WeakPolarHBondContact O-CB 3.35Å; V49-I73 HydrophobicContact CG2-CD1 3.92Å; E68-I73 WeakPolarHBondContact CG-O 3.35Å; E68-I73 PolarHBondContact O-N 3.06Å; L71-I73 VanDerWaalsContact C-N 3.31Å; L71-I73 HydrophobicContact CB-CD1 4.43Å; L71-I73 HydrophobicContact CB-CG1 4.04Å; L71-I73 HydrophobicContact CD1-CD1 4.32Å; L71-I73 PolarHBondContact O-N 2.77Å; I73-I75 HydrophobicContact CD1-CD1 4.26Å; I73-I75 HydrophobicContact CD1-CG1 3.99Å; I73-I75 HydrophobicContact CG1-CD1 4.48Å; I73-I75 HydrophobicContact CG1-CG1 4.07Å
74Q97.6Very high93.4Very high99 Ų9971.7 Ų71.746%0.46336%0.36SS..EExtended strand (participates in β ladder)trans-92.6136.3167.3-174.3177.4-0.500110.4N47 H48 V49 E68N47-Q74 PolarHBondContact O-N 2.87Å; H48-Q74 CarbonylContact C-O 3.57Å; H48-Q74 WeakPolarHBondContact CA-O 3.01Å; H48-Q74 HydrophobicContact CB-CB 4.35Å; V49-Q74 PolarHBondContact N-O 3.09Å; E68-Q74 WeakPolarHBondContact OE1-CA 3.46Å
75I97.1Very high93.1Very high17 Ų1773 Ų739%0.08738%0.377CS..EExtended strand (participates in β ladder)trans-122.9117.3172-56.8-178.6000109.2V49 L51 M64 Q67 E68 I73 L77V49-I75 CarbonylContact O-C 3.48Å; V49-I75 WeakPolarHBondContact O-CA 3.31Å; L51-I75 HydrophobicContact CD1-CG2 3.99Å; L51-I75 HydrophobicContact CG-CG2 4.12Å; M64-I75 HydrophobicContact CB-CG2 4.15Å; M64-I75 HydrophobicContact CG-CG2 4.37Å; M64-I75 HydrophobicContact SD-CD1 4.3Å; M64-I75 HydrophobicContact SD-CG2 4.45Å; Q67-I75 HydrophobicContact CB-CD1 4.31Å; E68-I75 HydrophobicContact CB-CB 4.34Å; E68-I75 HydrophobicContact CB-CD1 4.11Å; E68-I75 HydrophobicContact CB-CG1 4.09Å; E68-I75 HydrophobicContact CG-CB 4.35Å; E68-I75 HydrophobicContact CG-CG1 4.23Å; E68-I75 PolarHBondContact OE1-N 3.04Å; I73-I75 HydrophobicContact CD1-CD1 4.26Å; I73-I75 HydrophobicContact CD1-CG1 3.99Å; I73-I75 HydrophobicContact CG1-CD1 4.48Å; I73-I75 HydrophobicContact CG1-CG1 4.07Å; I75-L77 HydrophobicContact CG2-CD2 4.48Å
76S95.1Very high93Very high23 Ų2367.3 Ų67.316%0.16136%0.361CS..EExtended strand (participates in β ladder)trans-111.9140.1178.2-58.90000110.9H48 V49 V50 L51H48-S76 PolarHBondContact NE2-OG 3.3Å; V49-S76 PolarHBondContact O-N 3.37Å; V50-S76 CarbonylContact C-O 3.58Å; V50-S76 WeakPolarHBondContact CA-O 3.3Å; L51-S76 PolarHBondContact N-O 2.81Å
77L93.3Very high92.9Very high48 Ų4864 Ų6425%0.25134%0.34SS..EExtended strand (participates in β ladder)trans-102.9117.2177.1-49.9178.6000108.5L51 V53 M56 E61 M64 I75L51-L77 HydrophobicContact CB-CD2 3.78Å; L51-L77 HydrophobicContact CD1-CD2 3.67Å; L51-L77 HydrophobicContact CG-CD2 4.05Å; V53-L77 HydrophobicContact CG2-CB 4.42Å; M56-L77 HydrophobicContact CE-CB 3.57Å; M56-L77 HydrophobicContact CE-CD1 4.02Å; M56-L77 HydrophobicContact CE-CG 4.42Å; M56-L77 HydrophobicContact SD-CB 4.02Å; M56-L77 HydrophobicContact SD-CD1 3.45Å; M56-L77 WeakPolarHBondContact SD-CD1 3.33Å; M56-L77 HydrophobicContact SD-CG 4.29Å; E61-L77 HydrophobicContact CB-CD1 4.21Å; E61-L77 HydrophobicContact CG-CD1 3.64Å; M64-L77 HydrophobicContact CG-CD2 4.48Å; I75-L77 HydrophobicContact CG2-CD2 4.48Å
78S92.9Very high92.7Very high14 Ų1462.8 Ų62.810%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-97.3103.3174.5-173.30000108.2L51 V53 E80L51-S78 PolarHBondContact O-N 3.18Å; V53-S78 PolarHBondContact N-O 3.28Å; S78-E80 PolarHBondContact O-N 3.47Å
79H89.9Confident92.6Very high84 Ų8460.2 Ų60.239%0.38932%0.323SS..EExtended strand (participates in β ladder)trans-82.4113-176-176.2-137.9000111.7V53 S54 M56V53-H79 WeakPolarHBondContact O-CA 3.39Å; V53-H79 PolarHBondContact O-CD2 2.9Å; S54-H79 PolarHBondContact O-NE2 3.36Å; M56-H79 HydrophobicContact CE-CB 3.93Å
80E86.9Confident92.6Very high19 Ų1952.5 Ų52.59%0.08929%0.287CS..  trans-84.6107.3172.7178.7178.6-136.400109.7V53 S78 E82 L84 L92V53-E80 PolarHBondContact O-N 2.9Å; S78-E80 PolarHBondContact O-N 3.47Å; E80-E82 WeakPolarHBondContact CG-O 3.42Å; E80-L84 HydrophobicContact CG-CG 4.33Å; E80-L84 VanDerWaalsContact OE1-CA 3.3Å; E80-L84 WeakPolarHBondContact OE1-CA 3.48Å; E80-L84 WeakPolarHBondContact OE1-CB 3.23Å; E80-L84 PolarHBondContact OE1-N 3.26Å; E80-L92 HydrophobicContact CB-CD2 4.46Å
81K84.7Confident92.5Very high186 Ų18646.5 Ų46.581%0.80927%0.266SS*.SBendtrans-74.9-31-178.6-65.8-177.8-179.8178.80113.5
82E85.8Confident92.3Very high138 Ų13848.1 Ų48.165%0.64527%0.274SS*.SBendtrans-131.6147.3-179.1-65.9-176.5174.100108.7E80 L84E80-E82 WeakPolarHBondContact CG-O 3.42Å; E82-L84 WeakPolarHBondContact O-CG 3.27Å; E82-L84 PolarHBondContact O-N 2.8Å
83P86.3Confident92.3Very high114 Ų11444.9 Ų44.974%0.7424%0.241SC*.  trans-66.4104.7-178.627.2-34000111.5
84L88.4Confident92.1Very high21 Ų2148.3 Ų48.311%0.1125%0.253CS..  trans-95.88179.1-54.6174.1000113E80 E82 G88 L188 P190 T191E80-L84 HydrophobicContact CG-CG 4.33Å; E80-L84 VanDerWaalsContact OE1-CA 3.3Å; E80-L84 WeakPolarHBondContact OE1-CA 3.48Å; E80-L84 WeakPolarHBondContact OE1-CB 3.23Å; E80-L84 PolarHBondContact OE1-N 3.26Å; E82-L84 WeakPolarHBondContact O-CG 3.27Å; E82-L84 PolarHBondContact O-N 2.8Å; L84-G88 WeakPolarHBondContact O-CA 3.26Å; L84-G88 PolarHBondContact O-N 2.88Å; L84-L188 HydrophobicContact CD1-CD1 3.92Å; L84-P190 HydrophobicContact CD2-CG 4.31Å; L84-P190 CarbonylContact O-C 3.06Å; L84-P190 WeakPolarHBondContact O-CA 3.47Å; L84-T191 PolarHBondContact O-N 3.05Å
85G89.4Confident91.9Very high41 Ų4152 Ų5242%0.42327%0.269SS..THydrogen-bonded Turntrans77.1-160.1-179.500000112.8P89 T191G85-P89 WeakPolarHBondContact O-CD 3.4Å; G85-T191 CarbonylContact C-O 3.58Å
86T91.3Very high91.8Very high42 Ų4254.2 Ų54.226%0.25828%0.281SS..THydrogen-bonded Turntrans-86.6-24.3-174.849.20000113.4L90 T191 S192 I193 E194T86-L90 WeakPolarHBondContact O-CD1 3.34Å; T86-T191 PolarHBondContact N-O 2.88Å; T86-T191 VanDerWaalsContact N-O 3.16Å; T86-S192 WeakPolarHBondContact OG1-CA 3.26Å; T86-I193 PolarHBondContact OG1-N 2.77Å; T86-E194 PolarHBondContact OG1-OE1 3.42Å; T86-E194 PolarHBondContact OG1-OE2 3.2Å
87A94.2Very high91.7Very high0 Ų053.1 Ų53.10%027%0.274CS..THydrogen-bonded Turntrans-90-29.8175.600000112.5L90 A91 I186 T191 I193 I197A87-L90 WeakPolarHBondContact O-CB 3.33Å; A87-L90 PolarHBondContact O-N 2.84Å; A87-A91 PolarHBondContact O-N 3.18Å; A87-I186 HydrophobicContact CB-CD1 4.26Å; A87-I186 HydrophobicContact CB-CG2 3.82Å; A87-I186 WeakPolarHBondContact O-CG2 3.43Å; A87-T191 HydrophobicContact CB-CG2 3.8Å; A87-T191 WeakPolarHBondContact CB-O 3.26Å; A87-T191 PolarHBondContact N-O 2.88Å; A87-I193 HydrophobicContact CB-CB 3.86Å; A87-I193 HydrophobicContact CB-CG1 4.35Å; A87-I197 HydrophobicContact CB-CG1 4.27Å
88G93Very high91.7Very high0 Ų054.6 Ų54.60%028%0.282CS..Hα-helixtrans-52.3-44.4-177.900000115.2L84 L90 A91 L92L84-G88 WeakPolarHBondContact O-CA 3.26Å; L84-G88 PolarHBondContact O-N 2.88Å; G88-L90 PolarHBondContact O-N 3.48Å; G88-A91 WeakPolarHBondContact O-CB 3.47Å; G88-A91 PolarHBondContact O-N 3.49Å; G88-L92 PolarHBondContact O-N 3.21Å
89P93.8Very high91.5Very high4 Ų459 Ų593%0.02631%0.308CS..Hα-helixtrans-60.7-29.5176.3-27.435.3000114.6L6 A52 G85 L92 A93L6-P89 HydrophobicContact CD2-CB 3.83Å; L6-P89 HydrophobicContact CD2-CG 3.9Å; A52-P89 HydrophobicContact CB-CB 3.48Å; A52-P89 VanDerWaalsContact CB-CB 3.48Å; A52-P89 HydrophobicContact CB-CG 4.21Å; G85-P89 WeakPolarHBondContact O-CD 3.4Å; P89-L92 PolarHBondContact O-N 3.49Å; P89-A93 VanDerWaalsContact O-CB 3.32Å; P89-A93 WeakPolarHBondContact O-CB 3.23Å; P89-A93 PolarHBondContact O-N 3.44Å
90L96Very high91.5Very high1 Ų158.5 Ų58.51%0.00531%0.308CS..Hα-helixtrans-69-38.9174.2-69.471000110.7L4 L6 T86 A87 G88 R94 V106 F178 L183 I186 I193L4-L90 HydrophobicContact CD2-CD1 4.29Å; L6-L90 HydrophobicContact CD2-CD1 4.28Å; T86-L90 WeakPolarHBondContact O-CD1 3.34Å; A87-L90 WeakPolarHBondContact O-CB 3.33Å; A87-L90 PolarHBondContact O-N 2.84Å; G88-L90 PolarHBondContact O-N 3.48Å; L90-R94 PolarHBondContact O-N 2.89Å; L90-V106 HydrophobicContact CD1-CG1 4.3Å; L90-V106 HydrophobicContact CD2-CG2 4.12Å; L90-V106 HydrophobicContact CG-CG2 4.43Å; L90-F178 HydrophobicContact CD2-CD2 4.34Å; L90-F178 HydrophobicContact CD2-CE2 4.38Å; L90-L183 HydrophobicContact CB-CD2 4.02Å; L90-I186 HydrophobicContact CB-CD1 3.82Å; L90-I186 HydrophobicContact CD2-CD1 3.95Å; L90-I193 HydrophobicContact CD2-CD1 4.1Å
91A94.4Very high91.7Very high7 Ų763.3 Ų63.36%0.05833%0.334CS..Hα-helixtrans-67.2-40.1174.500000111.8A87 G88 A93 R94 I186 L188A87-A91 PolarHBondContact O-N 3.18Å; G88-A91 WeakPolarHBondContact O-CB 3.47Å; G88-A91 PolarHBondContact O-N 3.49Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A91-R94 VanDerWaalsContact O-CB 3.27Å; A91-R94 WeakPolarHBondContact O-CB 3.41Å; A91-R94 PolarHBondContact O-N 3.31Å; A91-I186 HydrophobicContact CB-CB 4.27Å; A91-I186 HydrophobicContact CB-CG2 3.76Å; A91-L188 HydrophobicContact CB-CB 4.43Å; A91-L188 HydrophobicContact CB-CD1 4.03Å
92L94.4Very high92.2Very high66 Ų6657.9 Ų57.935%0.34631%0.312SS..Hα-helixtrans-64.7-39.1177.7-174.264.7000111.9E80 G88 P89 R94 L188E80-L92 HydrophobicContact CB-CD2 4.46Å; G88-L92 PolarHBondContact O-N 3.21Å; P89-L92 PolarHBondContact O-N 3.49Å; L92-R94 VanDerWaalsContact C-N 3.32Å; L92-R94 PolarHBondContact O-N 2.8Å; L92-L188 HydrophobicContact CB-CD1 4.04Å; L92-L188 HydrophobicContact CD1-CD1 4.24Å
93A95.3Very high92.7Very high1 Ų151.9 Ų51.91%0.00829%0.285CS..THydrogen-bonded Turntrans-87.99.9178.900000114L4 V50 P89 A91 E95 L96 L97L4-A93 HydrophobicContact CD1-CB 3.6Å; V50-A93 HydrophobicContact CG1-CB 4.07Å; P89-A93 VanDerWaalsContact O-CB 3.32Å; P89-A93 WeakPolarHBondContact O-CB 3.23Å; P89-A93 PolarHBondContact O-N 3.44Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A93-E95 VanDerWaalsContact C-N 3.29Å; A93-E95 PolarHBondContact O-N 2.77Å; A93-L96 WeakPolarHBondContact O-CB 3.47Å; A93-L96 PolarHBondContact O-N 3.14Å; A93-L97 HydrophobicContact CB-CD1 4.05Å; A93-L97 HydrophobicContact CB-CG 4.23Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.22Å
94R95.1Very high93.3Very high90 Ų9046.5 Ų46.534%0.3425%0.25SS..Hα-helixtrans-51.9-45-172.2178.5-176.2-67.4143.2-1.1113.3L90 A91 L92 L96 L97 N98 L183 I186L90-R94 PolarHBondContact O-N 2.89Å; A91-R94 VanDerWaalsContact O-CB 3.27Å; A91-R94 WeakPolarHBondContact O-CB 3.41Å; A91-R94 PolarHBondContact O-N 3.31Å; L92-R94 VanDerWaalsContact C-N 3.32Å; L92-R94 PolarHBondContact O-N 2.8Å; R94-L96 VanDerWaalsContact C-N 3.28Å; R94-L96 PolarHBondContact O-N 3Å; R94-L97 PolarHBondContact O-N 2.82Å; R94-N98 VanDerWaalsContact O-CB 3.3Å; R94-N98 WeakPolarHBondContact O-CB 3.43Å; R94-N98 PolarHBondContact O-N 3.41Å; R94-L183 HydrophobicContact CG-CB 4.28Å; R94-L183 HydrophobicContact CG-CD1 4.18Å; R94-L183 PolarHBondContact NE-O 3.03Å; R94-L183 PolarHBondContact NH2-O 3.32Å; R94-I186 PolarHBondContact NH2-O 2.77Å
95E92.8Very high93.8Very high175 Ų17545.5 Ų45.582%0.81825%0.245SC*.Hα-helixtrans-65.4-33.1-178.5-63.3-177.1159.500112.3A93 V99A93-E95 VanDerWaalsContact C-N 3.29Å; A93-E95 PolarHBondContact O-N 2.77Å; E95-V99 WeakPolarHBondContact O-CG2 3.41Å
96L94Very high94.2Very high64 Ų6443.6 Ų43.634%0.33523%0.225SC..Hα-helixtrans-74.8-36175.5-59.8175.8000111.4K2 V50 A93 R94K2-L96 WeakPolarHBondContact CD-O 3.44Å; K2-L96 WeakPolarHBondContact CE-O 3.27Å; V50-L96 HydrophobicContact CG1-CD1 4.12Å; V50-L96 HydrophobicContact CG2-CB 4.17Å; V50-L96 HydrophobicContact CG2-CD1 4.13Å; A93-L96 WeakPolarHBondContact O-CB 3.47Å; A93-L96 PolarHBondContact O-N 3.14Å; R94-L96 VanDerWaalsContact C-N 3.28Å; R94-L96 PolarHBondContact O-N 3Å
97L94.8Very high94.5Very high0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-80.8-30.7-175.5-64.8173.7000113.3K2 L4 V50 A93 R94 F104 L183K2-L97 HydrophobicContact CB-CD2 4.44Å; L4-L97 HydrophobicContact CB-CD2 4.26Å; L4-L97 HydrophobicContact CD1-CD1 3.89Å; V50-L97 HydrophobicContact CG2-CD2 4.48Å; A93-L97 HydrophobicContact CB-CD1 4.05Å; A93-L97 HydrophobicContact CB-CG 4.23Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.22Å; R94-L97 PolarHBondContact O-N 2.82Å; L97-F104 HydrophobicContact CB-CD1 4.43Å; L97-F104 HydrophobicContact CB-CE1 4.49Å; L97-F104 HydrophobicContact CD1-CD2 4.1Å; L97-F104 HydrophobicContact CD1-CE2 3.75Å; L97-F104 HydrophobicContact CD1-CZ 4.14Å; L97-F104 HydrophobicContact CD2-CB 4.33Å; L97-F104 HydrophobicContact CD2-CD2 3.83Å; L97-F104 HydrophobicContact CD2-CE2 4.36Å; L97-F104 HydrophobicContact CD2-CG 4.06Å; L97-F104 HydrophobicContact CG-CD2 4.41Å; L97-F104 HydrophobicContact CG-CE2 4.49Å; L97-L183 HydrophobicContact CB-CD1 3.93Å; L97-L183 HydrophobicContact CD1-CD2 4.27Å
98N92.7Very high94.5Very high79 Ų7943.5 Ų43.542%0.42222%0.223SC..THydrogen-bonded Turntrans-98.325.3-171.5-166.231000115R94 P180 L183R94-N98 VanDerWaalsContact O-CB 3.3Å; R94-N98 WeakPolarHBondContact O-CB 3.43Å; R94-N98 PolarHBondContact O-N 3.41Å; N98-P180 HydrophobicContact CB-CB 4.33Å; N98-P180 WeakPolarHBondContact OD1-CB 3.14Å; N98-L183 HydrophobicContact CB-CD1 4.23Å
99V89.1Confident94.4Very high108 Ų10843.9 Ų43.966%0.65523%0.226SC*.SBendtrans-73-37.1-172.8-178.60000113.5E95E95-V99 WeakPolarHBondContact O-CG2 3.41Å
100D90.1Very high94.3Very high73 Ų7345.1 Ų45.139%0.3923%0.232SC..SBendtrans-124.26.5-168.251.912.3000113.3K2 E102K2-D100 IonicContact NZ-OD1 3.33Å; K2-D100 PolarHBondContact NZ-OD1 3.34Å; K2-D100 IonicContact NZ-OD2 3.41Å; K2-D100 PolarHBondContact NZ-OD2 2.95Å; D100-E102 HydrophobicContact CB-CG 4.24Å; D100-E102 PolarHBondContact O-N 3.02Å; D100-E102 WeakPolarHBondContact OD1-CB 3.25Å; D100-E102 PolarHBondContact OD1-N 3.03Å; D100-E102 VanDerWaalsContact OD1-N 3.15Å
101N89.8Confident94.2Very high119 Ų11945.3 Ų45.364%0.63623%0.233SC*.SBendtrans53.419.1-172.9-16043.4000114.2
102E95.3Very high94.2Very high72 Ų7245 Ų4534%0.33623%0.231SC..  trans-80.5150.7173.8-68.1-162.4146.200111M1 D100 P180M1-E102 WeakPolarHBondContact CA-OE2 3.32Å; M1-E102 PolarHBondContact N-OE2 2.81Å; D100-E102 HydrophobicContact CB-CG 4.24Å; D100-E102 PolarHBondContact O-N 3.02Å; D100-E102 WeakPolarHBondContact OD1-CB 3.25Å; D100-E102 PolarHBondContact OD1-N 3.03Å; D100-E102 VanDerWaalsContact OD1-N 3.15Å; E102-P180 VanDerWaalsContact O-CD 3.3Å; E102-P180 WeakPolarHBondContact O-CD 3.49Å; E102-P180 VanDerWaalsContact O-CG 3.24Å; E102-P180 WeakPolarHBondContact O-CG 3.49Å
103P97.5Very high94.3Very high13 Ų1342.1 Ų42.18%0.08422%0.216CC..  trans-62.1148.6169.727.2-34.4000111.2L121 I177 F178P103-L121 HydrophobicContact CG-CD1 4.09Å; P103-I177 HydrophobicContact CB-CD1 4.13Å; P103-I177 HydrophobicContact CB-CG1 4.07Å; P103-F178 CarbonylContact C-O 3.55Å; P103-F178 WeakPolarHBondContact CA-O 3.35Å
104F98.5Very high94.2Very high1 Ų144.4 Ų44.40%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-128.4149179.463.5-84.2000111.1K2 L97 V106 I177 F178 P180 M182 L183K2-F104 HydrophobicContact CB-CB 4.09Å; K2-F104 VanDerWaalsContact O-CA 3.25Å; K2-F104 WeakPolarHBondContact O-CA 3.23Å; K2-F104 WeakPolarHBondContact O-CB 3.43Å; L97-F104 HydrophobicContact CB-CD1 4.43Å; L97-F104 HydrophobicContact CB-CE1 4.49Å; L97-F104 HydrophobicContact CD1-CD2 4.1Å; L97-F104 HydrophobicContact CD1-CE2 3.75Å; L97-F104 HydrophobicContact CD1-CZ 4.14Å; L97-F104 HydrophobicContact CD2-CB 4.33Å; L97-F104 HydrophobicContact CD2-CD2 3.83Å; L97-F104 HydrophobicContact CD2-CE2 4.36Å; L97-F104 HydrophobicContact CD2-CG 4.06Å; L97-F104 HydrophobicContact CG-CD2 4.41Å; L97-F104 HydrophobicContact CG-CE2 4.49Å; F104-V106 HydrophobicContact CD2-CG2 3.69Å; F104-V106 HydrophobicContact CE2-CG2 3.41Å; F104-V106 VanDerWaalsContact CE2-CG2 3.41Å; F104-I177 WeakPolarHBondContact O-CA 3.44Å; F104-F178 HydrophobicContact CD1-CB 4.44Å; F104-F178 VanDerWaalsContact CD1-O 3.23Å; F104-F178 WeakPolarHBondContact CD1-O 3.48Å; F104-F178 HydrophobicContact CD2-CB 4.49Å; F104-F178 HydrophobicContact CE1-CB 3.93Å; F104-F178 WeakPolarHBondContact CE1-O 3.47Å; F104-F178 HydrophobicContact CE2-CB 4.01Å; F104-F178 HydrophobicContact CE2-CD2 4.28Å; F104-F178 HydrophobicContact CZ-CB 3.7Å; F104-F178 HydrophobicContact CZ-CD2 4.44Å; F104-F178 PolarHBondContact N-O 3.48Å; F104-F178 PolarHBondContact O-N 2.83Å; F104-P180 HydrophobicContact CD1-CG 4.32Å; F104-P180 HydrophobicContact CE1-CG 4.42Å; F104-M182 HydrophobicContact CE1-SD 4.01Å; F104-M182 HydrophobicContact CZ-SD 3.79Å; F104-L183 HydrophobicContact CE1-CD1 4.15Å; F104-L183 HydrophobicContact CE1-CD2 4.45Å; F104-L183 HydrophobicContact CE1-CG 4.26Å; F104-L183 HydrophobicContact CZ-CD1 4.3Å; F104-L183 HydrophobicContact CZ-CD2 3.81Å; F104-L183 HydrophobicContact CZ-CG 4.1Å
105F98.6Very high94.3Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-82.6149.9175.4-63.4-80000111.2M1 K2 A3 L4 L41 V46 L107 F117 L120 L121 Y176 I177M1-F105 HydrophobicContact CG-CE2 4.28Å; M1-F105 HydrophobicContact SD-CD2 4.34Å; M1-F105 HydrophobicContact SD-CE2 3.54Å; M1-F105 VanDerWaalsContact SD-CE2 3.54Å; M1-F105 HydrophobicContact SD-CZ 4.24Å; K2-F105 PolarHBondContact O-N 3.18Å; A3-F105 CarbonylContact C-O 3.6Å; A3-F105 VanDerWaalsContact CA-O 3.26Å; A3-F105 WeakPolarHBondContact CA-O 3.38Å; A3-F105 HydrophobicContact CB-CB 3.92Å; L4-F105 PolarHBondContact N-O 2.98Å; L41-F105 HydrophobicContact CD2-CB 3.93Å; L41-F105 HydrophobicContact CD2-CD2 3.82Å; L41-F105 HydrophobicContact CD2-CE2 4.48Å; L41-F105 HydrophobicContact CD2-CG 3.89Å; V46-F105 HydrophobicContact CG2-CD2 3.61Å; V46-F105 HydrophobicContact CG2-CE2 3.77Å; F105-L107 HydrophobicContact CB-CD1 3.92Å; F105-F117 HydrophobicContact CD1-CD1 4Å; F105-F117 HydrophobicContact CE1-CB 4.05Å; F105-F117 HydrophobicContact CE1-CD1 4Å; F105-F117 HydrophobicContact CE1-CG 4.36Å; F105-F117 HydrophobicContact CZ-CB 3.96Å; F105-F117 WeakPolarHBondContact CZ-O 3.4Å; F105-L120 HydrophobicContact CD1-CD2 4.05Å; F105-L120 HydrophobicContact CE1-CB 4.44Å; F105-L120 HydrophobicContact CE1-CD2 3.96Å; F105-L120 HydrophobicContact CE1-CG 4.24Å; F105-L121 HydrophobicContact CZ-CB 4.11Å; F105-Y176 CarbonylContact C-O 3.49Å; F105-Y176 WeakPolarHBondContact CA-O 3.48Å; F105-I177 HydrophobicContact CD1-CB 3.94Å; F105-I177 HydrophobicContact CD1-CD1 4.18Å; F105-I177 HydrophobicContact CD1-CG1 4.17Å; F105-I177 HydrophobicContact CE1-CB 4.17Å; F105-I177 HydrophobicContact CE1-CD1 3.74Å; F105-I177 HydrophobicContact CE1-CG1 4.23Å; F105-I177 HydrophobicContact CZ-CD1 4.02Å
106V98.2Very high94.4Very high1 Ų134.5 Ų34.51%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-131.2135.8168.5-177.80000109.6L4 L6 L90 F104 Y176 F178L4-V106 HydrophobicContact CB-CG2 4.36Å; L4-V106 HydrophobicContact CD2-CG1 4.13Å; L4-V106 CarbonylContact O-C 3.58Å; L4-V106 VanDerWaalsContact O-CA 3.22Å; L4-V106 WeakPolarHBondContact O-CA 3.46Å; L6-V106 HydrophobicContact CD1-CG1 4.32Å; L6-V106 HydrophobicContact CG-CG1 4.39Å; L90-V106 HydrophobicContact CD1-CG1 4.3Å; L90-V106 HydrophobicContact CD2-CG2 4.12Å; L90-V106 HydrophobicContact CG-CG2 4.43Å; F104-V106 HydrophobicContact CD2-CG2 3.69Å; F104-V106 HydrophobicContact CE2-CG2 3.41Å; F104-V106 VanDerWaalsContact CE2-CG2 3.41Å; V106-Y176 HydrophobicContact CB-CD2 3.79Å; V106-Y176 HydrophobicContact CG1-CD2 3.83Å; V106-Y176 HydrophobicContact CG1-CE2 4.37Å; V106-Y176 PolarHBondContact N-O 3.26Å; V106-Y176 VanDerWaalsContact O-CD2 3.3Å; V106-Y176 WeakPolarHBondContact O-CD2 3.34Å; V106-Y176 PolarHBondContact O-N 3.43Å; V106-F178 HydrophobicContact CB-CD2 4.19Å; V106-F178 HydrophobicContact CB-CE2 4.14Å; V106-F178 HydrophobicContact CG2-CD2 3.65Å; V106-F178 HydrophobicContact CG2-CE2 4.05Å
107L96.2Very high94.6Very high1 Ų131.7 Ų31.71%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-139.2145.9-174-56.987.2000112.5A3 L4 I5 L6 Q37 L41 F105 F117 G174 M175A3-L107 HydrophobicContact CB-CD1 4.45Å; L4-L107 PolarHBondContact O-N 3.3Å; I5-L107 HydrophobicContact CG1-CB 4.45Å; I5-L107 HydrophobicContact CG1-CD1 4.19Å; L6-L107 WeakPolarHBondContact CB-O 3.14Å; L6-L107 PolarHBondContact N-O 3.5Å; Q37-L107 HydrophobicContact CB-CD2 4.31Å; Q37-L107 HydrophobicContact CG-CD2 4.24Å; L41-L107 HydrophobicContact CD1-CD1 3.96Å; L41-L107 HydrophobicContact CD1-CD2 4.38Å; L41-L107 HydrophobicContact CD2-CD1 4.08Å; F105-L107 HydrophobicContact CB-CD1 3.92Å; L107-F117 HydrophobicContact CD2-CE1 3.78Å; L107-F117 HydrophobicContact CD2-CE2 4.33Å; L107-F117 HydrophobicContact CD2-CZ 3.34Å; L107-F117 HydrophobicContact CG-CE1 4.44Å; L107-F117 HydrophobicContact CG-CZ 4.42Å; L107-G174 CarbonylContact C-O 3.57Å; L107-G174 WeakPolarHBondContact CA-O 3.37Å; L107-M175 HydrophobicContact CD2-CG 4.46Å
108N94.4Very high94.7Very high39 Ų3938.1 Ų38.121%0.20920%0.199CC..EExtended strand (participates in β ladder)trans-79.2129162.3-67.9-2.3000109.5Q37 D110 V111 G174Q37-N108 PolarHBondContact OE1-O 3.45Å; N108-D110 PolarHBondContact O-N 2.84Å; N108-V111 HydrophobicContact CB-CG2 4.13Å; N108-V111 PolarHBondContact O-N 2.92Å; N108-G174 PolarHBondContact N-O 3.03Å
109S92.4Very high94.9Very high8 Ų839.1 Ų39.16%0.05621%0.205CC..THydrogen-bonded Turntrans-66.3-9.6-17457.30000115.5L6 I33 Q37L6-S109 WeakPolarHBondContact O-CB 3.38Å; L6-S109 PolarHBondContact O-N 2.66Å; L6-S109 VanDerWaalsContact O-N 3.11Å; L6-S109 PolarHBondContact O-OG 3.48Å; I33-S109 WeakPolarHBondContact CG2-O 3.48Å; Q37-S109 PolarHBondContact NE2-O 3.29Å
110D90.2Very high95.4Very high30 Ų3034 Ų3416%0.1617%0.174CC..THydrogen-bonded Turntrans-110.115.4-174.258.7-8000115.4K23 N108 I219K23-D110 HydrophobicContact CD-CB 4.4Å; K23-D110 VanDerWaalsContact NZ-CG 3.33Å; K23-D110 IonicContact NZ-OD2 3.5Å; K23-D110 PolarHBondContact NZ-OD2 3.46Å; N108-D110 PolarHBondContact O-N 2.84Å; D110-I219 WeakPolarHBondContact O-CG1 3.45Å; D110-I219 PolarHBondContact O-N 2.93Å
111V93.8Very high95.7Very high4 Ų431.4 Ų31.42%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-94.2132.9174.4173.20000110.3N108 A173 W216N108-V111 HydrophobicContact CB-CG2 4.13Å; N108-V111 PolarHBondContact O-N 2.92Å; V111-A173 WeakPolarHBondContact CG2-O 3.44Å; V111-W216 VanDerWaalsContact CG1-NE1 3.33Å; V111-W216 HydrophobicContact CG2-CZ2 4.45Å
112I95.8Very high96.1Very high1 Ų132.3 Ų32.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-121.5130.3166-62-65.8000109F28 I33 H36 F215 M217 I219 Y232F28-I112 HydrophobicContact CD1-CD1 4.33Å; F28-I112 HydrophobicContact CD1-CG1 4.13Å; F28-I112 HydrophobicContact CD1-CG2 4.38Å; F28-I112 HydrophobicContact CE1-CB 4.35Å; F28-I112 HydrophobicContact CE1-CG1 4.12Å; F28-I112 HydrophobicContact CE1-CG2 3.73Å; F28-I112 HydrophobicContact CZ-CG1 4.43Å; F28-I112 HydrophobicContact CZ-CG2 4.2Å; I33-I112 HydrophobicContact CG2-CD1 4.36Å; H36-I112 HydrophobicContact CB-CD1 3.98Å; I112-F215 HydrophobicContact CG2-CE2 3.84Å; I112-F215 HydrophobicContact CG2-CZ 3.84Å; I112-M217 PolarHBondContact N-O 3.05Å; I112-M217 PolarHBondContact O-N 3.31Å; I112-I219 HydrophobicContact CD1-CD1 4.3Å; I112-I219 HydrophobicContact CG1-CD1 3.48Å; I112-I219 VanDerWaalsContact CG1-CD1 3.48Å; I112-I219 HydrophobicContact CG1-CG1 4.07Å; I112-Y232 HydrophobicContact CG2-CD2 4.09Å
113C96.2Very high96.3Very high6 Ų631.4 Ų31.44%0.04116%0.155CC..EExtended strand (participates in β ladder)trans-160.3178.9179.463.60000111.1F115 M175 L212 F215 W216C113-F115 WeakPolarHBondContact O-CD2 3.45Å; C113-F115 WeakPolarHBondContact O-CE2 3.26Å; C113-F115 PolarHBondContact O-N 2.86Å; C113-F115 VanDerWaalsContact O-N 3.14Å; C113-F115 WeakPolarHBondContact SG-CD1 3.41Å; C113-F115 VanDerWaalsContact SG-CE1 3.57Å; C113-M175 VanDerWaalsContact SG-CE 3.5Å; C113-M175 VanDerWaalsContact SG-SD 3.6Å; C113-L212 HydrophobicContact CB-CD2 3.95Å; C113-F215 VanDerWaalsContact CA-O 3.25Å; C113-F215 WeakPolarHBondContact CA-O 3.25Å; C113-F215 WeakPolarHBondContact CB-O 3.08Å; C113-W216 HydrophobicContact CB-CB 4.34Å
114D92.8Very high96.3Very high48 Ų4830.9 Ų30.926%0.25715%0.152SC..  trans-75.888.6162.3-61.7-48.2000109P116 F215 S235D114-P116 VanDerWaalsContact O-CD 3.28Å; D114-P116 WeakPolarHBondContact O-CD 3.49Å; D114-F215 PolarHBondContact N-O 3.46Å; D114-F215 WeakPolarHBondContact OD1-CE1 3.45Å; D114-F215 VanDerWaalsContact OD2-CD1 3.25Å; D114-F215 WeakPolarHBondContact OD2-CD1 3.33Å; D114-F215 PolarHBondContact OD2-N 3.14Å; D114-S235 PolarHBondContact OD1-OG 2.71Å
115F96.2Very high96.3Very high40 Ų4037.8 Ų37.818%0.17518%0.178CC..  trans-60.3115-170.7-63.6-75.1000113.6H36 Q37 A40 C113 F117 M175H36-F115 HydrophobicContact CB-CE2 4.1Å; Q37-F115 HydrophobicContact CB-CZ 4.35Å; Q37-F115 HydrophobicContact CG-CE1 3.57Å; Q37-F115 HydrophobicContact CG-CE2 4.32Å; Q37-F115 HydrophobicContact CG-CZ 3.41Å; Q37-F115 VanDerWaalsContact CG-CZ 3.41Å; A40-F115 HydrophobicContact CB-CB 3.7Å; A40-F115 HydrophobicContact CB-CD2 3.68Å; A40-F115 HydrophobicContact CB-CG 3.83Å; C113-F115 WeakPolarHBondContact O-CD2 3.45Å; C113-F115 WeakPolarHBondContact O-CE2 3.26Å; C113-F115 PolarHBondContact O-N 2.86Å; C113-F115 VanDerWaalsContact O-N 3.14Å; C113-F115 WeakPolarHBondContact SG-CD1 3.41Å; C113-F115 VanDerWaalsContact SG-CE1 3.57Å; F115-F117 VanDerWaalsContact C-N 3.35Å; F115-F117 HydrophobicContact CB-CD2 3.93Å; F115-F117 HydrophobicContact CB-CE1 4.49Å; F115-F117 HydrophobicContact CB-CE2 3.55Å; F115-F117 HydrophobicContact CB-CZ 3.81Å; F115-F117 HydrophobicContact CD1-CE1 4.26Å; F115-F117 AromaticContact CD1-CE2 3.83Å; F115-F117 HydrophobicContact CD1-CE2 3.83Å; F115-F117 AromaticContact CD1-CZ 3.39Å; F115-F117 HydrophobicContact CD1-CZ 3.39Å; F115-F117 HydrophobicContact CE1-CZ 4.26Å; F115-F117 AromaticContact CG-CE2 3.81Å; F115-F117 HydrophobicContact CG-CE2 3.81Å; F115-F117 AromaticContact CG-CZ 3.86Å; F115-F117 HydrophobicContact CG-CZ 3.86Å; F115-F117 PolarHBondContact O-N 2.83Å; F115-M175 HydrophobicContact CD1-SD 3.83Å; F115-M175 HydrophobicContact CE1-SD 4.24Å
116P96.4Very high96.2Very high18 Ų1842.2 Ų42.212%0.11721%0.209CC..  trans-95.236.2-170.940.3-38.9000112.6D114 K118 D119 L120 M210 L212D114-P116 VanDerWaalsContact O-CD 3.28Å; D114-P116 WeakPolarHBondContact O-CD 3.49Å; P116-K118 VanDerWaalsContact C-N 3.3Å; P116-K118 PolarHBondContact O-N 3.11Å; P116-D119 PolarHBondContact O-N 3.47Å; P116-D119 VanDerWaalsContact O-N 3.14Å; P116-L120 WeakPolarHBondContact O-CB 3.35Å; P116-L120 PolarHBondContact O-N 3.28Å; P116-M210 HydrophobicContact CB-CE 3.93Å; P116-M210 HydrophobicContact CG-CE 3.72Å; P116-L212 HydrophobicContact CB-CD1 4.3Å; P116-L212 HydrophobicContact CG-CD1 3.63Å
117F97.8Very high96.1Very high4 Ų443.6 Ų43.62%0.01822%0.215CC..Hα-helixtrans-62.5-31.5-164.8-63.9-44.3000114.9A40 L41 A44 F105 L107 F115 L120 L121 M175A40-F117 HydrophobicContact CB-CD2 3.91Å; A40-F117 HydrophobicContact CB-CE2 3.62Å; L41-F117 HydrophobicContact CD2-CD1 4.2Å; L41-F117 HydrophobicContact CD2-CD2 3.72Å; L41-F117 HydrophobicContact CD2-CE1 4.16Å; L41-F117 HydrophobicContact CD2-CE2 3.64Å; L41-F117 HydrophobicContact CD2-CG 4.03Å; L41-F117 HydrophobicContact CD2-CZ 3.92Å; L41-F117 HydrophobicContact CG-CD2 4.01Å; L41-F117 HydrophobicContact CG-CE2 3.64Å; L41-F117 HydrophobicContact CG-CZ 4.18Å; A44-F117 HydrophobicContact CB-CB 3.5Å; A44-F117 VanDerWaalsContact CB-CB 3.5Å; A44-F117 HydrophobicContact CB-CG 4.5Å; F105-F117 HydrophobicContact CD1-CD1 4Å; F105-F117 HydrophobicContact CE1-CB 4.05Å; F105-F117 HydrophobicContact CE1-CD1 4Å; F105-F117 HydrophobicContact CE1-CG 4.36Å; F105-F117 HydrophobicContact CZ-CB 3.96Å; F105-F117 WeakPolarHBondContact CZ-O 3.4Å; L107-F117 HydrophobicContact CD2-CE1 3.78Å; L107-F117 HydrophobicContact CD2-CE2 4.33Å; L107-F117 HydrophobicContact CD2-CZ 3.34Å; L107-F117 HydrophobicContact CG-CE1 4.44Å; L107-F117 HydrophobicContact CG-CZ 4.42Å; F115-F117 VanDerWaalsContact C-N 3.35Å; F115-F117 HydrophobicContact CB-CD2 3.93Å; F115-F117 HydrophobicContact CB-CE1 4.49Å; F115-F117 HydrophobicContact CB-CE2 3.55Å; F115-F117 HydrophobicContact CB-CZ 3.81Å; F115-F117 HydrophobicContact CD1-CE1 4.26Å; F115-F117 AromaticContact CD1-CE2 3.83Å; F115-F117 HydrophobicContact CD1-CE2 3.83Å; F115-F117 AromaticContact CD1-CZ 3.39Å; F115-F117 HydrophobicContact CD1-CZ 3.39Å; F115-F117 HydrophobicContact CE1-CZ 4.26Å; F115-F117 AromaticContact CG-CE2 3.81Å; F115-F117 HydrophobicContact CG-CE2 3.81Å; F115-F117 AromaticContact CG-CZ 3.86Å; F115-F117 HydrophobicContact CG-CZ 3.86Å; F115-F117 PolarHBondContact O-N 2.83Å; F117-L120 HydrophobicContact CD1-CD2 4.41Å; F117-L121 WeakPolarHBondContact O-CB 3.43Å; F117-L121 PolarHBondContact O-N 3.38Å; F117-M175 HydrophobicContact CE1-SD 4.12Å; F117-M175 HydrophobicContact CZ-SD 4.45Å
118K96.9Very high96.1Very high135 Ų13546 Ų4659%0.58724%0.24SC*.Hα-helixtrans-66.7-48.1175.1-70.2-174177.7-1780111.3K43 A44 P116 L120 L121 Q122K43-K118 WeakPolarHBondContact O-CE 3.3Å; A44-K118 HydrophobicContact CB-CG 4.21Å; P116-K118 VanDerWaalsContact C-N 3.3Å; P116-K118 PolarHBondContact O-N 3.11Å; K118-L120 VanDerWaalsContact C-N 3.33Å; K118-L121 PolarHBondContact O-N 3.31Å; K118-Q122 PolarHBondContact O-N 3.14Å
119D97.4Very high96.2Very high100 Ų10047 Ų4754%0.53524%0.244SC..Hα-helixtrans-66-39.9178.9-56.2-26.1000110.6P116 L121 Q122 F123P116-D119 PolarHBondContact O-N 3.47Å; P116-D119 VanDerWaalsContact O-N 3.14Å; D119-L121 PolarHBondContact O-N 2.89Å; D119-Q122 PolarHBondContact O-N 2.87Å; D119-F123 WeakPolarHBondContact O-CB 3.25Å; D119-F123 PolarHBondContact O-N 2.9Å
120L98Very high96.5Very high0 Ų048 Ų480%025%0.247CC..Hα-helixtrans-59.2-45.5175-177.856.8000111.9F105 P116 F117 K118 H124 T132 V134 I177 M210F105-L120 HydrophobicContact CD1-CD2 4.05Å; F105-L120 HydrophobicContact CE1-CB 4.44Å; F105-L120 HydrophobicContact CE1-CD2 3.96Å; F105-L120 HydrophobicContact CE1-CG 4.24Å; P116-L120 WeakPolarHBondContact O-CB 3.35Å; P116-L120 PolarHBondContact O-N 3.28Å; F117-L120 HydrophobicContact CD1-CD2 4.41Å; K118-L120 VanDerWaalsContact C-N 3.33Å; L120-H124 VanDerWaalsContact O-CB 3.26Å; L120-H124 WeakPolarHBondContact O-CB 3.25Å; L120-H124 PolarHBondContact O-N 3.14Å; L120-T132 HydrophobicContact CD1-CG2 3.64Å; L120-V134 HydrophobicContact CD1-CG2 3.83Å; L120-V134 HydrophobicContact CD2-CG2 3.63Å; L120-V134 HydrophobicContact CG-CG2 4.29Å; L120-I177 HydrophobicContact CD1-CG2 3.73Å; L120-I177 HydrophobicContact CD2-CB 4.29Å; L120-I177 HydrophobicContact CD2-CG2 4.15Å; L120-I177 HydrophobicContact CG-CB 4.2Å; L120-I177 HydrophobicContact CG-CG2 3.62Å; L120-M210 VanDerWaalsContact CA-SD 3.58Å; L120-M210 HydrophobicContact CB-CE 3.7Å; L120-M210 HydrophobicContact CB-SD 4.26Å; L120-M210 HydrophobicContact CD1-CB 4.37Å; L120-M210 HydrophobicContact CD1-CE 3.94Å; L120-M210 HydrophobicContact CD1-SD 4.15Å; L120-M210 HydrophobicContact CG-CE 4.39Å
121L98.2Very high96.9Very high19 Ų1946.5 Ų46.510%0.09924%0.239CC..Hα-helixtrans-63.8-43.3176.2175.763.8000112M1 P103 F105 F117 K118 D119 H124 R125 I177M1-L121 HydrophobicContact CE-CD1 3.58Å; M1-L121 HydrophobicContact CE-CD2 3.58Å; M1-L121 HydrophobicContact CE-CG 4.23Å; M1-L121 HydrophobicContact SD-CD1 4.11Å; M1-L121 HydrophobicContact SD-CD2 3.86Å; P103-L121 HydrophobicContact CG-CD1 4.09Å; F105-L121 HydrophobicContact CZ-CB 4.11Å; F117-L121 WeakPolarHBondContact O-CB 3.43Å; F117-L121 PolarHBondContact O-N 3.38Å; K118-L121 PolarHBondContact O-N 3.31Å; D119-L121 PolarHBondContact O-N 2.89Å; L121-H124 PolarHBondContact O-N 3.24Å; L121-R125 HydrophobicContact CD1-CG 4.33Å; L121-R125 WeakPolarHBondContact O-CB 3.32Å; L121-R125 WeakPolarHBondContact O-CG 3.5Å; L121-R125 PolarHBondContact O-N 3.38Å; L121-I177 HydrophobicContact CB-CD1 4.18Å; L121-I177 HydrophobicContact CD1-CD1 3.54Å; L121-I177 HydrophobicContact CG-CD1 4.49Å
122Q97.8Very high97.1Very high139 Ų13946.3 Ų46.365%0.6524%0.238SC*.Hα-helixtrans-62.7-48178.9-178.7176.9-2.100111.1K118 D119 R125 S126K118-Q122 PolarHBondContact O-N 3.14Å; D119-Q122 PolarHBondContact O-N 2.87Å; Q122-R125 PolarHBondContact O-N 2.65Å; Q122-S126 PolarHBondContact O-N 3.47Å
123F98.1Very high97.2Very high53 Ų5346.3 Ų46.323%0.23224%0.238CC..Hα-helixtrans-62.8-41.9178.1-179.8-99.8000112D119 R125 S126 H127 T132 M210D119-F123 WeakPolarHBondContact O-CB 3.25Å; D119-F123 PolarHBondContact O-N 2.9Å; F123-R125 VanDerWaalsContact C-N 3.34Å; F123-R125 PolarHBondContact O-N 3.5Å; F123-S126 PolarHBondContact O-N 3.19Å; F123-S126 PolarHBondContact O-OG 2.81Å; F123-H127 AromaticContact CE1-CD2 3.82Å; F123-H127 PolarHBondContact O-CD2 2.99Å; F123-H127 PolarHBondContact O-N 2.85Å; F123-T132 HydrophobicContact CD1-CG2 3.62Å; F123-T132 HydrophobicContact CE1-CG2 3.74Å; F123-M210 HydrophobicContact CB-SD 3.9Å; F123-M210 HydrophobicContact CD1-CB 3.92Å; F123-M210 HydrophobicContact CD1-CG 4.25Å; F123-M210 HydrophobicContact CD1-SD 4.42Å; F123-M210 HydrophobicContact CE1-CB 4.1Å; F123-M210 HydrophobicContact CG-CB 4.48Å; F123-M210 HydrophobicContact CG-CG 4.32Å; F123-M210 HydrophobicContact CG-SD 4.25Å
124H98.4Very high97.3Very high2 Ų246 Ų461%0.00924%0.236CC..Hα-helixtrans-59-45.9176-176.769.1000112.4L120 L121 S126 H127 G128 Q129 T132 I177 N179L120-H124 VanDerWaalsContact O-CB 3.26Å; L120-H124 WeakPolarHBondContact O-CB 3.25Å; L120-H124 PolarHBondContact O-N 3.14Å; L121-H124 PolarHBondContact O-N 3.24Å; H124-S126 VanDerWaalsContact C-N 3.31Å; H124-S126 PolarHBondContact O-N 2.96Å; H124-H127 WeakPolarHBondContact CA-NE2 3.22Å; H124-H127 AromaticContact ND1-CE1 3.71Å; H124-H127 AromaticContact ND1-NE2 3.8Å; H124-G128 PolarHBondContact O-N 3.13Å; H124-G128 VanDerWaalsContact O-N 3.15Å; H124-Q129 PolarHBondContact CE1-O 3.24Å; H124-Q129 VanDerWaalsContact CE1-O 3.23Å; H124-T132 WeakPolarHBondContact CB-OG1 3.32Å; H124-T132 PolarHBondContact ND1-OG1 3.35Å; H124-I177 HydrophobicContact CB-CD1 4.11Å; H124-I177 HydrophobicContact CB-CG2 3.53Å; H124-N179 PolarHBondContact NE2-ND2 3.36Å; H124-N179 PolarHBondContact NE2-OD1 2.9Å
125R97.4Very high97.5Very high146 Ų14643.7 Ų43.755%0.55122%0.224SC*.Hα-helixtrans-65.6-32177.4-74.6176.6171.7174.8-1.5112.6L121 Q122 F123L121-R125 HydrophobicContact CD1-CG 4.33Å; L121-R125 WeakPolarHBondContact O-CB 3.32Å; L121-R125 WeakPolarHBondContact O-CG 3.5Å; L121-R125 PolarHBondContact O-N 3.38Å; Q122-R125 PolarHBondContact O-N 2.65Å; F123-R125 VanDerWaalsContact C-N 3.34Å; F123-R125 PolarHBondContact O-N 3.5Å
126S97.4Very high97.5Very high92 Ų9242.6 Ų42.664%0.64322%0.22SC*.Hα-helixtrans-70.6-32.6-177.563.90000113.6Q122 F123 H124Q122-S126 PolarHBondContact O-N 3.47Å; F123-S126 PolarHBondContact O-N 3.19Å; F123-S126 PolarHBondContact O-OG 2.81Å; H124-S126 VanDerWaalsContact C-N 3.31Å; H124-S126 PolarHBondContact O-N 2.96Å
127H96.8Very high97.4Very high31 Ų3150 Ų5014%0.14425%0.246CC..Hα-helixtrans-92.2-21.9177.268.871.3000113.2F123 H124 Q129 T132 Y208F123-H127 AromaticContact CE1-CD2 3.82Å; F123-H127 PolarHBondContact O-CD2 2.99Å; F123-H127 PolarHBondContact O-N 2.85Å; H124-H127 WeakPolarHBondContact CA-NE2 3.22Å; H124-H127 AromaticContact ND1-CE1 3.71Å; H124-H127 AromaticContact ND1-NE2 3.8Å; H127-Q129 VanDerWaalsContact C-N 3.27Å; H127-Q129 WeakPolarHBondContact ND1-CB 3.38Å; H127-Q129 PolarHBondContact ND1-N 2.84Å; H127-Q129 PolarHBondContact O-N 2.95Å; H127-T132 PolarHBondContact NE2-OG1 2.82Å; H127-Y208 HydrophobicContact CB-CD1 4.11Å; H127-Y208 HydrophobicContact CB-CE1 4.03Å; H127-Y208 HydrophobicContact CB-CG 4.47Å; H127-Y208 AromaticContact CD2-CG 3.78Å; H127-Y208 AromaticContact CE1-CD2 3.78Å; H127-Y208 AromaticContact CE1-CG 3.94Å; H127-Y208 AromaticContact CG-CD1 3.96Å; H127-Y208 AromaticContact CG-CG 3.86Å; H127-Y208 AromaticContact ND1-CD2 3.69Å; H127-Y208 AromaticContact ND1-CG 3.93Å; H127-Y208 AromaticContact NE2-CG 3.82Å
128G95.2Very high97Very high52 Ų5251.1 Ų51.154%0.53625%0.253SS..  trans6622.7171.100000115.3H124H124-G128 PolarHBondContact O-N 3.13Å; H124-G128 VanDerWaalsContact O-N 3.15Å
129Q97.5Very high96.4Very high59 Ų5954 Ų5428%0.27627%0.269SS..SBendtrans-102.7171.4-179.1-59.7-63.1-31.900110.8H124 H127 G131 N179 H206 Y208H124-Q129 PolarHBondContact CE1-O 3.24Å; H124-Q129 VanDerWaalsContact CE1-O 3.23Å; H127-Q129 VanDerWaalsContact C-N 3.27Å; H127-Q129 WeakPolarHBondContact ND1-CB 3.38Å; H127-Q129 PolarHBondContact ND1-N 2.84Å; H127-Q129 PolarHBondContact O-N 2.95Å; Q129-G131 VanDerWaalsContact C-N 3.32Å; Q129-G131 PolarHBondContact O-N 3Å; Q129-N179 PolarHBondContact O-ND2 2.88Å; Q129-H206 PolarHBondContact OE1-ND1 3.43Å; Q129-Y208 HydrophobicContact CB-CD2 3.98Å; Q129-Y208 HydrophobicContact CB-CE2 3.7Å; Q129-Y208 HydrophobicContact CG-CD2 4.19Å; Q129-Y208 HydrophobicContact CG-CE2 3.44Å; Q129-Y208 VanDerWaalsContact CG-CE2 3.44Å
130E97.8Very high95.9Very high28 Ų2854.6 Ų54.613%0.13127%0.268CS..SBendtrans-61.5-34.4-169.3-62.3-172.3-169.200114.7F178 N179 M182 R185 M201 H206E130-F178 WeakPolarHBondContact O-CA 3.28Å; E130-N179 PolarHBondContact O-N 3.36Å; E130-M182 HydrophobicContact CB-CE 4.36Å; E130-M182 WeakPolarHBondContact O-CE 3.2Å; E130-R185 IonicContact OE1-CZ 2.66Å; E130-R185 IonicContact OE1-NE 2.76Å; E130-R185 IonicContact OE1-NH2 3.12Å; E130-R185 PolarHBondContact OE1-NH2 3.48Å; E130-R185 IonicContact OE2-CZ 2.81Å; E130-R185 IonicContact OE2-NE 3.38Å; E130-R185 PolarHBondContact OE2-NE 3.33Å; E130-R185 IonicContact OE2-NH2 2.71Å; E130-R185 PolarHBondContact OE2-NH2 2.92Å; E130-M201 HydrophobicContact CB-CE 3.65Å; E130-H206 HydrophobicContact CB-CB 4.09Å; E130-H206 HydrophobicContact CG-CB 4.05Å; E130-H206 PolarHBondContact N-O 3.46Å
131G98.3Very high95.4Very high0 Ų055.1 Ų55.10%027%0.272CS..EExtended strand (participates in β ladder)trans-150.4152.2-174.900000116.6Q129 I177 H206 L207 Y208Q129-G131 VanDerWaalsContact C-N 3.32Å; Q129-G131 PolarHBondContact O-N 3Å; G131-I177 WeakPolarHBondContact CA-O 3.17Å; G131-H206 PolarHBondContact N-O 3.01Å; G131-L207 WeakPolarHBondContact O-CA 3.36Å; G131-Y208 PolarHBondContact O-N 3.46Å
132T98.7Very high94.8Very high0 Ų056.6 Ų56.60%028%0.284CS..EExtended strand (participates in β ladder)trans-127.5136.8169.9-44.20000109.9L120 F123 H124 H127 Y176 I177 Y208 M210L120-T132 HydrophobicContact CD1-CG2 3.64Å; F123-T132 HydrophobicContact CD1-CG2 3.62Å; F123-T132 HydrophobicContact CE1-CG2 3.74Å; H124-T132 WeakPolarHBondContact CB-OG1 3.32Å; H124-T132 PolarHBondContact ND1-OG1 3.35Å; H127-T132 PolarHBondContact NE2-OG1 2.82Å; T132-Y176 VanDerWaalsContact O-CA 3.3Å; T132-Y176 WeakPolarHBondContact O-CA 3.36Å; T132-I177 PolarHBondContact N-O 3.18Å; T132-I177 PolarHBondContact O-N 3.41Å; T132-Y208 CarbonylContact C-O 3.51Å; T132-Y208 VanDerWaalsContact CA-O 3.27Å; T132-Y208 WeakPolarHBondContact CA-O 3.46Å; T132-M210 HydrophobicContact CG2-CB 4.12Å
133I98Very high94.2Very high0 Ų056.5 Ų56.50%028%0.281CS..EExtended strand (participates in β ladder)trans-111.4134.4173.9-56.2-173.5000108.8V135 I156 F159 N172 Y176 F198 L207 Y208 A209 M210I133-V135 HydrophobicContact CG2-CG1 4.38Å; I133-I156 HydrophobicContact CB-CD1 4.43Å; I133-I156 HydrophobicContact CD1-CD1 4.22Å; I133-I156 HydrophobicContact CG1-CD1 4.43Å; I133-F159 HydrophobicContact CD1-CD2 4.27Å; I133-F159 HydrophobicContact CD1-CE2 4.22Å; I133-N172 HydrophobicContact CG2-CB 4.45Å; I133-N172 WeakPolarHBondContact CG2-OD1 3.5Å; I133-Y176 HydrophobicContact CB-CD1 4.18Å; I133-Y176 HydrophobicContact CD1-CD1 4.46Å; I133-Y176 HydrophobicContact CG1-CD1 3.9Å; I133-Y176 HydrophobicContact CG1-CE1 4.4Å; I133-Y176 HydrophobicContact CG2-CD1 3.88Å; I133-Y176 HydrophobicContact CG2-CE1 3.91Å; I133-F198 HydrophobicContact CD1-CD1 3.91Å; I133-F198 HydrophobicContact CD1-CD2 3.57Å; I133-F198 HydrophobicContact CD1-CE1 3.86Å; I133-F198 HydrophobicContact CD1-CE2 3.52Å; I133-F198 HydrophobicContact CD1-CG 3.77Å; I133-F198 HydrophobicContact CD1-CZ 3.67Å; I133-F198 HydrophobicContact CG1-CE1 4.43Å; I133-F198 HydrophobicContact CG1-CE2 4.48Å; I133-F198 HydrophobicContact CG1-CZ 4.25Å; I133-L207 HydrophobicContact CD1-CD1 4.07Å; I133-L207 HydrophobicContact CD1-CD2 3.68Å; I133-L207 HydrophobicContact CD1-CG 4.04Å; I133-L207 HydrophobicContact CG1-CD1 3.98Å; I133-L207 HydrophobicContact CG1-CD2 4.39Å; I133-L207 HydrophobicContact CG1-CG 4.21Å; I133-Y208 PolarHBondContact N-O 2.79Å; I133-A209 CarbonylContact O-C 3.57Å; I133-A209 VanDerWaalsContact O-CA 3.29Å; I133-A209 WeakPolarHBondContact O-CA 3.48Å; I133-M210 PolarHBondContact O-N 3.13Å
134V98.1Very high93.8Very high0 Ų056.6 Ų56.60%028%0.28CS..EExtended strand (participates in β ladder)trans-78.9132.6168.3-176.10000109.2L120 A173 M175 M210 L212L120-V134 HydrophobicContact CD1-CG2 3.83Å; L120-V134 HydrophobicContact CD2-CG2 3.63Å; L120-V134 HydrophobicContact CG-CG2 4.29Å; V134-A173 HydrophobicContact CB-CB 4.17Å; V134-A173 HydrophobicContact CG1-CB 3.97Å; V134-A173 VanDerWaalsContact O-CB 3.23Å; V134-A173 WeakPolarHBondContact O-CB 3.4Å; V134-A173 PolarHBondContact O-N 2.89Å; V134-M175 HydrophobicContact CB-CB 4.05Å; V134-M175 HydrophobicContact CB-CE 4.08Å; V134-M175 HydrophobicContact CG1-CE 3.76Å; V134-M175 HydrophobicContact CG2-CB 3.85Å; V134-M175 HydrophobicContact CG2-CE 4.42Å; V134-M175 PolarHBondContact N-O 3.06Å; V134-M210 CarbonylContact C-O 3.48Å; V134-M210 WeakPolarHBondContact CA-O 3.35Å; V134-M210 HydrophobicContact CG2-CE 4.38Å; V134-L212 HydrophobicContact CG1-CB 3.69Å; V134-L212 HydrophobicContact CG1-CD1 4.28Å; V134-L212 HydrophobicContact CG1-CG 4.42Å
135V97.3Very high93.5Very high0 Ų056.7 Ų56.70%028%0.282CS..EExtended strand (participates in β ladder)trans-119.2150178.2-60.70000111.5I133 V147 Y149 I171 A209 M210 E211 L212I133-V135 HydrophobicContact CG2-CG1 4.38Å; V135-V147 HydrophobicContact CG1-CB 4Å; V135-V147 HydrophobicContact CG1-CG1 4.23Å; V135-V147 HydrophobicContact CG1-CG2 3.78Å; V135-Y149 HydrophobicContact CG2-CE1 3.8Å; V135-I171 CarbonylContact C-O 3.58Å; V135-I171 WeakPolarHBondContact CA-O 3.44Å; V135-I171 WeakPolarHBondContact CB-O 3.41Å; V135-A209 HydrophobicContact CG1-CB 3.93Å; V135-A209 HydrophobicContact CG2-CB 4.18Å; V135-M210 PolarHBondContact N-O 3.43Å; V135-E211 HydrophobicContact CG2-CB 4.27Å; V135-L212 WeakPolarHBondContact O-CB 3.34Å; V135-L212 PolarHBondContact O-N 3.47Å
136T96Very high93.4Very high16 Ų1649.7 Ų49.710%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-135.9162.3173.6-171.10000110.7V138 K170 I171 A173 W216T136-V138 HydrophobicContact CG2-CG1 4.43Å; T136-K170 CarbonylContact O-C 3.56Å; T136-K170 WeakPolarHBondContact O-CA 3.14Å; T136-I171 HydrophobicContact CG2-CD1 4.01Å; T136-I171 HydrophobicContact CG2-CG1 3.73Å; T136-I171 PolarHBondContact N-O 3.41Å; T136-I171 WeakPolarHBondContact O-CG1 3.45Å; T136-I171 PolarHBondContact O-N 3.12Å; T136-A173 HydrophobicContact CG2-CB 4.21Å; T136-W216 HydrophobicContact CG2-CB 4.21Å; T136-W216 HydrophobicContact CG2-CD2 3.72Å; T136-W216 HydrophobicContact CG2-CE3 3.88Å; T136-W216 HydrophobicContact CG2-CG 3.87Å
137R93.4Very high93.3Very high173 Ų17345.3 Ų45.365%0.65323%0.225SC*.EExtended strand (participates in β ladder)trans-96.8130.7179.4-172.2176.7177177.8-1.1110.5N169R137-N169 WeakPolarHBondContact CA-O 3.33Å; R137-N169 HydrophobicContact CG-CB 4.31Å; R137-N169 PolarHBondContact NE-ND2 3.25Å; R137-N169 PolarHBondContact NH2-ND2 3.07Å
138V89.8Confident93.2Very high29 Ų2945.9 Ų45.918%0.17623%0.23CC..  trans-130.5154.7175.1-61.50000111.2T136 P141 Y144 N169 I171 W216T136-V138 HydrophobicContact CG2-CG1 4.43Å; V138-P141 HydrophobicContact CG2-CB 4.14Å; V138-Y144 HydrophobicContact CG2-CD2 4.49Å; V138-N169 PolarHBondContact N-O 2.81Å; V138-N169 WeakPolarHBondContact O-CB 3.48Å; V138-I171 HydrophobicContact CB-CD1 4.44Å; V138-I171 HydrophobicContact CG1-CD1 3.57Å; V138-I171 HydrophobicContact CG1-CG1 3.91Å; V138-I171 HydrophobicContact CG2-CB 4.39Å; V138-I171 HydrophobicContact CG2-CD1 3.97Å; V138-I171 HydrophobicContact CG2-CG1 3.95Å; V138-I171 HydrophobicContact CG2-CG2 3.56Å; V138-W216 HydrophobicContact CG1-CZ3 4.35Å
139E85.6Confident93.3Very high196 Ų19644.9 Ų44.992%0.91621%0.211SC*.SBendtrans-70.6-40.4175.8-65.9-178.2172.200112P141E139-P141 WeakPolarHBondContact O-CD 3.45Å
140E86.1Confident93.1Very high112 Ų11245.5 Ų45.552%0.52321%0.214SC..  trans-116.591.1-175.7-175.156.6-118.700111.1S142E140-S142 VanDerWaalsContact OE1-CB 3.28Å; E140-S142 WeakPolarHBondContact OE1-CB 3.33Å; E140-S142 PolarHBondContact OE1-OG 3.01Å
141P87.1Confident92.8Very high10 Ų1049.4 Ų49.47%0.06524%0.244CC..G310 helixtrans-83.6-9.4-172.932.8-36.4000114.4V138 E139 K143 Y144 V146 F166 I171V138-P141 HydrophobicContact CG2-CB 4.14Å; E139-P141 WeakPolarHBondContact O-CD 3.45Å; P141-K143 PolarHBondContact O-N 3.45Å; P141-Y144 PolarHBondContact O-N 2.97Å; P141-V146 HydrophobicContact CB-CG2 3.86Å; P141-F166 HydrophobicContact CG-CD2 4.15Å; P141-F166 HydrophobicContact CG-CE2 4.21Å; P141-I171 HydrophobicContact CB-CG2 3.78Å
142S86.6Confident92.4Very high51 Ų5158.3 Ų58.336%0.35729%0.285SS..G310 helixtrans-58.2-22.2-171.456.50000114.9E140E140-S142 VanDerWaalsContact OE1-CB 3.28Å; E140-S142 WeakPolarHBondContact OE1-CB 3.33Å; E140-S142 PolarHBondContact OE1-OG 3.01Å
143K85.1Confident92.2Very high137 Ų13760.2 Ų60.260%0.59630%0.299SS*.G310 helixtrans-87.1-6.6-179.6-62.9177.9-175.9172.10114.1P141 K162P141-K143 PolarHBondContact O-N 3.45Å; K143-K162 VanDerWaalsContact O-CE 3.26Å; K143-K162 WeakPolarHBondContact O-CE 3.46Å
144Y90Very high92.1Very high54 Ų5460.5 Ų60.521%0.21230%0.301CS..SBendtrans-127.7168-168-56.3-77.7000112.7V138 P141 K162 I171 W216V138-Y144 HydrophobicContact CG2-CD2 4.49Å; P141-Y144 PolarHBondContact O-N 2.97Å; Y144-K162 WeakPolarHBondContact O-CA 3.36Å; Y144-K162 PolarHBondContact O-N 2.89Å; Y144-I171 HydrophobicContact CD1-CD1 3.92Å; Y144-I171 HydrophobicContact CD2-CD1 3.67Å; Y144-I171 HydrophobicContact CD2-CG2 4.32Å; Y144-I171 HydrophobicContact CE1-CD1 4.37Å; Y144-I171 HydrophobicContact CE2-CD1 4.12Å; Y144-I171 HydrophobicContact CG-CB 4.37Å; Y144-I171 HydrophobicContact CG-CD1 3.55Å; Y144-I171 HydrophobicContact CG-CG2 4.34Å; Y144-W216 HydrophobicContact CD1-CH2 4.36Å; Y144-W216 AromaticContact CE1-CH2 3.76Å; Y144-W216 HydrophobicContact CE1-CH2 3.76Å
145G91.7Very high92.1Very high4 Ų464.5 Ų64.54%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-73.3121.9167.700000110.7E161 I171 N172G145-E161 WeakPolarHBondContact CA-OE2 3.23Å; G145-E161 PolarHBondContact N-OE2 3.23Å; G145-I171 CarbonylContact O-C 3.58Å; G145-I171 VanDerWaalsContact O-CA 3.22Å; G145-I171 WeakPolarHBondContact O-CA 3.5Å; G145-N172 PolarHBondContact O-N 2.98Å
146V94.4Very high92.1Very high0 Ų064.5 Ų64.50%032%0.316CS..EExtended strand (participates in β ladder)trans-97.4138-176.8177.30000110.6P141 V160 P163 V167 S168 I171P141-V146 HydrophobicContact CB-CG2 3.86Å; V146-V160 PolarHBondContact N-O 3.04Å; V146-V160 PolarHBondContact O-N 3.37Å; V146-P163 HydrophobicContact CB-CG 4.11Å; V146-P163 HydrophobicContact CG2-CG 3.57Å; V146-V167 HydrophobicContact CG1-CB 3.92Å; V146-V167 HydrophobicContact CG1-CG1 4.19Å; V146-S168 WeakPolarHBondContact CG1-O 3.41Å; V146-I171 HydrophobicContact CG2-CG2 4.32Å
147V95.3Very high92.1Very high0 Ų068.8 Ų68.80%034%0.336CS..EExtended strand (participates in β ladder)trans-118.8133-174.7-169.20000110.6V135 Y149 I156 F159 S168 K170 A209V135-V147 HydrophobicContact CG1-CB 4Å; V135-V147 HydrophobicContact CG1-CG1 4.23Å; V135-V147 HydrophobicContact CG1-CG2 3.78Å; V147-Y149 HydrophobicContact CG1-CD1 3.99Å; V147-I156 HydrophobicContact CG1-CB 4.41Å; V147-I156 HydrophobicContact CG1-CD1 3.62Å; V147-I156 HydrophobicContact CG1-CG1 3.76Å; V147-I156 HydrophobicContact CG1-CG2 3.83Å; V147-F159 HydrophobicContact CG2-CD2 3.85Å; V147-F159 HydrophobicContact CG2-CE2 3.96Å; V147-S168 PolarHBondContact O-OG 3.23Å; V147-K170 PolarHBondContact N-O 2.8Å; V147-A209 HydrophobicContact CG1-CB 4.31Å
148V95.6Very high92.2Very high43 Ų4367.8 Ų67.826%0.26133%0.332SS..EExtended strand (participates in β ladder)trans-117.2123.8167.8-1760000107.7Q157 R158 V167V148-Q157 PolarHBondContact O-N 3.39Å; V148-R158 HydrophobicContact CB-CB 4.23Å; V148-R158 PolarHBondContact N-O 2.8Å; V148-R158 PolarHBondContact O-N 3.47Å; V148-R158 VanDerWaalsContact O-N 3.11Å; V148-V167 HydrophobicContact CG2-CG1 3.65Å
149Y96.2Very high92.4Very high31 Ų3166.8 Ų66.812%0.12233%0.325CS..EExtended strand (participates in β ladder)trans-144.2159.2-175.966.3-92.8000111.4V135 V147 R155 K170 A209 E211V135-Y149 HydrophobicContact CG2-CE1 3.8Å; V147-Y149 HydrophobicContact CG1-CD1 3.99Å; Y149-R155 CarbonylContact C-O 3.43Å; Y149-R155 VanDerWaalsContact CA-O 3.23Å; Y149-R155 WeakPolarHBondContact CA-O 3.33Å; Y149-R155 VanDerWaalsContact CB-O 3.32Å; Y149-R155 WeakPolarHBondContact CB-O 3.42Å; Y149-K170 HydrophobicContact CD1-CD 4.39Å; Y149-K170 HydrophobicContact CE1-CB 4.47Å; Y149-K170 HydrophobicContact CE1-CD 3.36Å; Y149-K170 WeakPolarHBondContact OH-CD 3.33Å; Y149-K170 PolarHBondContact OH-NZ 2.9Å; Y149-A209 HydrophobicContact CD1-CB 3.6Å; Y149-A209 HydrophobicContact CD2-CB 4.16Å; Y149-A209 HydrophobicContact CE1-CB 3.93Å; Y149-A209 HydrophobicContact CE2-CB 4.48Å; Y149-A209 HydrophobicContact CG-CB 3.7Å; Y149-E211 PolarHBondContact OH-OE2 2.85Å
150E95.1Very high92.8Very high72 Ų7259 Ų5934%0.33629%0.291SS..  trans-75.4122.1176.4176.1172.5-126.100110.5E152 S153 G154 R155E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 2.7Å; E150-S153 PolarHBondContact OE2-OG 3.37Å; E150-G154 VanDerWaalsContact O-CA 3.26Å; E150-G154 WeakPolarHBondContact O-CA 3.42Å; E150-G154 PolarHBondContact O-N 2.82Å; E150-R155 PolarHBondContact N-O 2.93Å; E150-R155 IonicContact OE2-NE 3.45Å
151S90.1Very high93.1Very high109 Ų10955.8 Ų55.876%0.76228%0.276SS*.THydrogen-bonded Turntrans-62-30.6-172.1-55.70000114.5
152E90.3Very high93.2Very high187 Ų18760.8 Ų60.887%0.87430%0.296SS*.THydrogen-bonded Turntrans-78.6-45.3-176.9-65.1-178.8-178.700112.4E150E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 2.7Å
153S93.9Very high93.2Very high41 Ų4159 Ų5929%0.28728%0.284SS..THydrogen-bonded Turntrans-95.4-22.6-17569.80000113.3E150 R155 Y208E150-S153 PolarHBondContact OE2-OG 3.37Å; S153-R155 PolarHBondContact O-N 3.31Å; S153-R155 VanDerWaalsContact OG-CB 3.26Å; S153-R155 WeakPolarHBondContact OG-CB 3.36Å; S153-R155 PolarHBondContact OG-N 3.05Å; S153-Y208 WeakPolarHBondContact O-CD1 3.28Å
154G96Very high93.3Very high5 Ų561.4 Ų61.45%0.05230%0.297CS..  trans760.9-167.200000113.8E150 I156 Y208 A209E150-G154 VanDerWaalsContact O-CA 3.26Å; E150-G154 WeakPolarHBondContact O-CA 3.42Å; E150-G154 PolarHBondContact O-N 2.82Å; G154-I156 PolarHBondContact O-N 2.92Å; G154-Y208 CarbonylContact O-C 3.52Å; G154-Y208 WeakPolarHBondContact O-CA 2.96Å; G154-A209 PolarHBondContact O-N 3.12Å
155R97.9Very high93.1Very high84 Ų8464 Ų6432%0.31732%0.319SS..BIsolated β-bridgetrans-64.3125.4-176.5-171.6176.161.590.20.1111.1Y149 E150 S153 Q157 Y208Y149-R155 CarbonylContact C-O 3.43Å; Y149-R155 VanDerWaalsContact CA-O 3.23Å; Y149-R155 WeakPolarHBondContact CA-O 3.33Å; Y149-R155 VanDerWaalsContact CB-O 3.32Å; Y149-R155 WeakPolarHBondContact CB-O 3.42Å; E150-R155 PolarHBondContact N-O 2.93Å; E150-R155 IonicContact OE2-NE 3.45Å; S153-R155 PolarHBondContact O-N 3.31Å; S153-R155 VanDerWaalsContact OG-CB 3.26Å; S153-R155 WeakPolarHBondContact OG-CB 3.36Å; S153-R155 PolarHBondContact OG-N 3.05Å; R155-Q157 PolarHBondContact O-N 3.18Å; R155-Y208 HydrophobicContact CB-CD1 4.07Å; R155-Y208 HydrophobicContact CB-CE1 3.61Å; R155-Y208 HydrophobicContact CG-CE1 4.12Å; R155-Y208 HydrophobicContact CG-CE2 4.17Å
156I97.8Very high92.9Very high0 Ų071 Ų710%035%0.348CS..EExtended strand (participates in β ladder)trans-75.1121-179.5-61-178.1000109.4I133 V147 G154 A202 L207 A209I133-I156 HydrophobicContact CB-CD1 4.43Å; I133-I156 HydrophobicContact CD1-CD1 4.22Å; I133-I156 HydrophobicContact CG1-CD1 4.43Å; V147-I156 HydrophobicContact CG1-CB 4.41Å; V147-I156 HydrophobicContact CG1-CD1 3.62Å; V147-I156 HydrophobicContact CG1-CG1 3.76Å; V147-I156 HydrophobicContact CG1-CG2 3.83Å; G154-I156 PolarHBondContact O-N 2.92Å; I156-A202 HydrophobicContact CB-CB 4.33Å; I156-A202 HydrophobicContact CG2-CB 3.83Å; I156-L207 WeakPolarHBondContact CB-O 3.39Å; I156-L207 HydrophobicContact CD1-CB 4.47Å; I156-L207 HydrophobicContact CD1-CD2 3.9Å; I156-L207 HydrophobicContact CD1-CG 3.83Å; I156-L207 PolarHBondContact N-O 3.07Å; I156-A209 HydrophobicContact CD1-CB 4Å; I156-A209 HydrophobicContact CG1-CB 3.81Å
157Q96.3Very high92.5Very high107 Ų10773.1 Ų73.150%0.536%0.361SS..EExtended strand (participates in β ladder)trans-84.4-37.5174.3-63.7179.3-17.100111V148 R155V148-Q157 PolarHBondContact O-N 3.39Å; R155-Q157 PolarHBondContact O-N 3.18Å
158R94.4Very high92.3Very high151 Ų15174.1 Ų74.157%0.5737%0.368SS*.EExtended strand (participates in β ladder)trans-152.1134.9-176.3-166.2177.7176.4173.3-1.9111.3V148 V160V148-R158 HydrophobicContact CB-CB 4.23Å; V148-R158 PolarHBondContact N-O 2.8Å; V148-R158 PolarHBondContact O-N 3.47Å; V148-R158 VanDerWaalsContact O-N 3.11Å; R158-V160 HydrophobicContact CG-CG2 3.82Å
159F95.8Very high92.1Very high9 Ų974 Ų744%0.03937%0.366CS..EExtended strand (participates in β ladder)trans-116.3131.4168.6-173.2-78.9000108.7I133 V147 E161 N172 E194 F198 P199I133-F159 HydrophobicContact CD1-CD2 4.27Å; I133-F159 HydrophobicContact CD1-CE2 4.22Å; V147-F159 HydrophobicContact CG2-CD2 3.85Å; V147-F159 HydrophobicContact CG2-CE2 3.96Å; F159-E161 HydrophobicContact CE1-CB 4.33Å; F159-N172 HydrophobicContact CE2-CB 4.08Å; F159-N172 HydrophobicContact CZ-CB 4.32Å; F159-E194 WeakPolarHBondContact CD1-O 3.08Å; F159-E194 HydrophobicContact CE1-CB 3.78Å; F159-E194 VanDerWaalsContact CE1-O 3.24Å; F159-E194 WeakPolarHBondContact CE1-O 3.25Å; F159-E194 HydrophobicContact CZ-CB 4.04Å; F159-E194 HydrophobicContact CZ-CG 4.28Å; F159-F198 HydrophobicContact CB-CB 4.28Å; F159-F198 HydrophobicContact CD1-CB 4.01Å; F159-F198 HydrophobicContact CD1-CD2 4.48Å; F159-F198 HydrophobicContact CD2-CB 4.09Å; F159-F198 HydrophobicContact CD2-CD2 4.04Å; F159-F198 HydrophobicContact CD2-CG 4.46Å; F159-F198 HydrophobicContact CE1-CB 4.44Å; F159-F198 HydrophobicContact CE1-CD2 4.13Å; F159-F198 HydrophobicContact CE2-CB 4.48Å; F159-F198 AromaticContact CE2-CD2 3.63Å; F159-F198 HydrophobicContact CE2-CD2 3.63Å; F159-F198 HydrophobicContact CE2-CE2 4.32Å; F159-F198 HydrophobicContact CE2-CG 4.46Å; F159-F198 HydrophobicContact CG-CB 3.85Å; F159-F198 HydrophobicContact CG-CD2 4.46Å; F159-F198 AromaticContact CZ-CD2 3.69Å; F159-F198 HydrophobicContact CZ-CD2 3.69Å; F159-F198 HydrophobicContact CZ-CE2 4.41Å; F159-P199 HydrophobicContact CD1-CG 4.4Å
160V92.4Very high92Very high31 Ų3174.9 Ų74.919%0.18837%0.37CS..EExtended strand (participates in β ladder)trans-134.3113.8179.6-169.80000110.3V146 R158 K162 P163V146-V160 PolarHBondContact N-O 3.04Å; V146-V160 PolarHBondContact O-N 3.37Å; R158-V160 HydrophobicContact CG-CG2 3.82Å; V160-K162 PolarHBondContact O-N 2.98Å; V160-P163 HydrophobicContact CG1-CB 3.85Å
161E92.8Very high92Very high45 Ų4571.4 Ų71.421%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-75.3122.5177.4-17860-166.500111.6G145 F159 E194 K195G145-E161 WeakPolarHBondContact CA-OE2 3.23Å; G145-E161 PolarHBondContact N-OE2 3.23Å; F159-E161 HydrophobicContact CE1-CB 4.33Å; E161-E194 HydrophobicContact CB-CB 4.3Å; E161-E194 HydrophobicContact CG-CB 4.16Å; E161-E194 WeakPolarHBondContact OE2-CB 3.22Å; E161-K195 HydrophobicContact CB-CG 4.06Å; E161-K195 HydrophobicContact CG-CG 4.01Å
162K89.3Confident92.3Very high115 Ų11566.9 Ų66.950%0.532%0.321SS..SBendtrans46.562.7174-64.6176.1-174.8176.40113.3K143 Y144 V160K143-K162 VanDerWaalsContact O-CE 3.26Å; K143-K162 WeakPolarHBondContact O-CE 3.46Å; Y144-K162 WeakPolarHBondContact O-CA 3.36Å; Y144-K162 PolarHBondContact O-N 2.89Å; V160-K162 PolarHBondContact O-N 2.98Å
163P86.6Confident92.6Very high14 Ų1458 Ų589%0.09128%0.279CS..  trans-67.3141.2-174.331.4-36.2000111.1V146 V160 V165 V167V146-P163 HydrophobicContact CB-CG 4.11Å; V146-P163 HydrophobicContact CG2-CG 3.57Å; V160-P163 HydrophobicContact CG1-CB 3.85Å; P163-V165 VanDerWaalsContact C-N 3.3Å; P163-V165 WeakPolarHBondContact CB-O 3.37Å; P163-V167 HydrophobicContact CB-CG2 3.84Å; P163-V167 HydrophobicContact CG-CG2 4.25Å
164Q87.3Confident92.7Very high188 Ų18856.1 Ų56.188%0.87927%0.267SS*.SBendtrans-77.4-19.4175.2-61.9-60.8-60.200112.8
165V86.8Confident92.7Very high109 Ų10955.9 Ų55.966%0.66126%0.264SS*.SBendtrans-119.6149.9177.8-64.50000109.1P163 V167P163-V165 VanDerWaalsContact C-N 3.3Å; P163-V165 WeakPolarHBondContact CB-O 3.37Å; V165-V167 PolarHBondContact O-N 3.39Å
166F87.6Confident92.7Very high151 Ų15152 Ų5266%0.66225%0.25SC*.  trans-61.5126.1176.5-179.1-92.5000110.5P141 N169P141-F166 HydrophobicContact CG-CD2 4.15Å; P141-F166 HydrophobicContact CG-CE2 4.21Å; F166-N169 HydrophobicContact CE2-CB 4.29Å; F166-N169 HydrophobicContact CZ-CB 4.36Å
167V85.2Confident92.8Very high44 Ų4452 Ų5227%0.26725%0.25SC..  trans-113.8-49177179.90000110.7V146 V148 P163 V165V146-V167 HydrophobicContact CG1-CB 3.92Å; V146-V167 HydrophobicContact CG1-CG1 4.19Å; V148-V167 HydrophobicContact CG2-CG1 3.65Å; P163-V167 HydrophobicContact CB-CG2 3.84Å; P163-V167 HydrophobicContact CG-CG2 4.25Å; V165-V167 PolarHBondContact O-N 3.39Å
168S90.7Very high92.9Very high21 Ų2146.9 Ų46.915%0.14723%0.226CC..  trans-164.2160.2-179.5164.90000107.8V146 V147 K170V146-S168 WeakPolarHBondContact CG1-O 3.41Å; V147-S168 PolarHBondContact O-OG 3.23Å; S168-K170 PolarHBondContact OG-N 3.24Å
169N90.8Very high93Very high41 Ų4141.6 Ų41.622%0.21921%0.209CC..SBendtrans-95.14.117361.26.8000113.2R137 V138 F166R137-N169 WeakPolarHBondContact CA-O 3.33Å; R137-N169 HydrophobicContact CG-CB 4.31Å; R137-N169 PolarHBondContact NE-ND2 3.25Å; R137-N169 PolarHBondContact NH2-ND2 3.07Å; V138-N169 PolarHBondContact N-O 2.81Å; V138-N169 WeakPolarHBondContact O-CB 3.48Å; F166-N169 HydrophobicContact CE2-CB 4.29Å; F166-N169 HydrophobicContact CZ-CB 4.36Å
170K94.9Very high93.1Very high48 Ų4841.4 Ų41.421%0.20921%0.208CC..EExtended strand (participates in β ladder)trans-91.7117.5174.4-56.8-167.4-177.4-159.80109.6T136 V147 Y149 S168 E211T136-K170 CarbonylContact O-C 3.56Å; T136-K170 WeakPolarHBondContact O-CA 3.14Å; V147-K170 PolarHBondContact N-O 2.8Å; Y149-K170 HydrophobicContact CD1-CD 4.39Å; Y149-K170 HydrophobicContact CE1-CB 4.47Å; Y149-K170 HydrophobicContact CE1-CD 3.36Å; Y149-K170 WeakPolarHBondContact OH-CD 3.33Å; Y149-K170 PolarHBondContact OH-NZ 2.9Å; S168-K170 PolarHBondContact OG-N 3.24Å; K170-E211 IonicContact NZ-OE2 2.76Å; K170-E211 PolarHBondContact NZ-OE2 2.8Å
171I95.6Very high93.2Very high0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-112.3156.2-176.962.8153.4000111.4V135 T136 V138 P141 Y144 G145 V146 A173 W216V135-I171 CarbonylContact C-O 3.58Å; V135-I171 WeakPolarHBondContact CA-O 3.44Å; V135-I171 WeakPolarHBondContact CB-O 3.41Å; T136-I171 HydrophobicContact CG2-CD1 4.01Å; T136-I171 HydrophobicContact CG2-CG1 3.73Å; T136-I171 PolarHBondContact N-O 3.41Å; T136-I171 WeakPolarHBondContact O-CG1 3.45Å; T136-I171 PolarHBondContact O-N 3.12Å; V138-I171 HydrophobicContact CB-CD1 4.44Å; V138-I171 HydrophobicContact CG1-CD1 3.57Å; V138-I171 HydrophobicContact CG1-CG1 3.91Å; V138-I171 HydrophobicContact CG2-CB 4.39Å; V138-I171 HydrophobicContact CG2-CD1 3.97Å; V138-I171 HydrophobicContact CG2-CG1 3.95Å; V138-I171 HydrophobicContact CG2-CG2 3.56Å; P141-I171 HydrophobicContact CB-CG2 3.78Å; Y144-I171 HydrophobicContact CD1-CD1 3.92Å; Y144-I171 HydrophobicContact CD2-CD1 3.67Å; Y144-I171 HydrophobicContact CD2-CG2 4.32Å; Y144-I171 HydrophobicContact CE1-CD1 4.37Å; Y144-I171 HydrophobicContact CE2-CD1 4.12Å; Y144-I171 HydrophobicContact CG-CB 4.37Å; Y144-I171 HydrophobicContact CG-CD1 3.55Å; Y144-I171 HydrophobicContact CG-CG2 4.34Å; G145-I171 CarbonylContact O-C 3.58Å; G145-I171 VanDerWaalsContact O-CA 3.22Å; G145-I171 WeakPolarHBondContact O-CA 3.5Å; V146-I171 HydrophobicContact CG2-CG2 4.32Å; I171-A173 PolarHBondContact O-N 2.78Å; I171-W216 HydrophobicContact CD1-CH2 3.81Å; I171-W216 HydrophobicContact CD1-CZ2 4.43Å; I171-W216 HydrophobicContact CD1-CZ3 3.93Å
172N96.3Very high93.4Very high13 Ų1340.5 Ų40.57%0.0721%0.208CC..EExtended strand (participates in β ladder)trans-59.8121.2165.71779.8000110.4I133 G145 F159 G174 Y176I133-N172 HydrophobicContact CG2-CB 4.45Å; I133-N172 WeakPolarHBondContact CG2-OD1 3.5Å; G145-N172 PolarHBondContact O-N 2.98Å; F159-N172 HydrophobicContact CE2-CB 4.08Å; F159-N172 HydrophobicContact CZ-CB 4.32Å; N172-G174 VanDerWaalsContact C-N 3.3Å; N172-G174 PolarHBondContact O-N 2.89Å; N172-G174 PolarHBondContact OD1-N 2.9Å; N172-Y176 WeakPolarHBondContact ND2-CE1 3.24Å; N172-Y176 PolarHBondContact ND2-OH 3.35Å; N172-Y176 WeakPolarHBondContact OD1-CE1 3.35Å; N172-Y176 PolarHBondContact OD1-OH 2.91Å
173A96Very high93.8Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-85.31.8-179.300000113.6V111 V134 T136 I171 M175 W216V111-A173 WeakPolarHBondContact CG2-O 3.44Å; V134-A173 HydrophobicContact CB-CB 4.17Å; V134-A173 HydrophobicContact CG1-CB 3.97Å; V134-A173 VanDerWaalsContact O-CB 3.23Å; V134-A173 WeakPolarHBondContact O-CB 3.4Å; V134-A173 PolarHBondContact O-N 2.89Å; T136-A173 HydrophobicContact CG2-CB 4.21Å; I171-A173 PolarHBondContact O-N 2.78Å; A173-M175 HydrophobicContact CB-CE 4.02Å; A173-W216 PolarHBondContact O-NE1 3.12Å
174G95.4Very high94.2Very high2 Ų239.2 Ų39.22%0.02121%0.214CC..EExtended strand (participates in β ladder)trans76.121.9177.900000114.2L107 N108 N172L107-G174 CarbonylContact C-O 3.57Å; L107-G174 WeakPolarHBondContact CA-O 3.37Å; N108-G174 PolarHBondContact N-O 3.03Å; N172-G174 VanDerWaalsContact C-N 3.3Å; N172-G174 PolarHBondContact O-N 2.89Å; N172-G174 PolarHBondContact OD1-N 2.9Å
175M97.6Very high94.6Very high1 Ų133.5 Ų33.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-131.4134.8175.8-61.7172.8-76.100109.5L107 C113 F115 F117 V134 A173 L212L107-M175 HydrophobicContact CD2-CG 4.46Å; C113-M175 VanDerWaalsContact SG-CE 3.5Å; C113-M175 VanDerWaalsContact SG-SD 3.6Å; F115-M175 HydrophobicContact CD1-SD 3.83Å; F115-M175 HydrophobicContact CE1-SD 4.24Å; F117-M175 HydrophobicContact CE1-SD 4.12Å; F117-M175 HydrophobicContact CZ-SD 4.45Å; V134-M175 HydrophobicContact CB-CB 4.05Å; V134-M175 HydrophobicContact CB-CE 4.08Å; V134-M175 HydrophobicContact CG1-CE 3.76Å; V134-M175 HydrophobicContact CG2-CB 3.85Å; V134-M175 HydrophobicContact CG2-CE 4.42Å; V134-M175 PolarHBondContact N-O 3.06Å; A173-M175 HydrophobicContact CB-CE 4.02Å; M175-L212 HydrophobicContact CE-CD1 4.4Å; M175-L212 HydrophobicContact CE-CD2 4.2Å
176Y98Very high95Very high1 Ų128.4 Ų28.40%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-141.3157.1-172-34.9-74.6000110.6F105 V106 T132 I133 N172 F178 F198F105-Y176 CarbonylContact C-O 3.49Å; F105-Y176 WeakPolarHBondContact CA-O 3.48Å; V106-Y176 HydrophobicContact CB-CD2 3.79Å; V106-Y176 HydrophobicContact CG1-CD2 3.83Å; V106-Y176 HydrophobicContact CG1-CE2 4.37Å; V106-Y176 PolarHBondContact N-O 3.26Å; V106-Y176 VanDerWaalsContact O-CD2 3.3Å; V106-Y176 WeakPolarHBondContact O-CD2 3.34Å; V106-Y176 PolarHBondContact O-N 3.43Å; T132-Y176 VanDerWaalsContact O-CA 3.3Å; T132-Y176 WeakPolarHBondContact O-CA 3.36Å; I133-Y176 HydrophobicContact CB-CD1 4.18Å; I133-Y176 HydrophobicContact CD1-CD1 4.46Å; I133-Y176 HydrophobicContact CG1-CD1 3.9Å; I133-Y176 HydrophobicContact CG1-CE1 4.4Å; I133-Y176 HydrophobicContact CG2-CD1 3.88Å; I133-Y176 HydrophobicContact CG2-CE1 3.91Å; N172-Y176 WeakPolarHBondContact ND2-CE1 3.24Å; N172-Y176 PolarHBondContact ND2-OH 3.35Å; N172-Y176 WeakPolarHBondContact OD1-CE1 3.35Å; N172-Y176 PolarHBondContact OD1-OH 2.91Å; Y176-F178 VanDerWaalsContact CB-CE2 3.44Å; Y176-F178 VanDerWaalsContact CB-CZ 3.45Å; Y176-F178 HydrophobicContact CD1-CZ 4.35Å; Y176-F178 HydrophobicContact CD2-CE2 4.26Å; Y176-F178 AromaticContact CG-CE2 3.95Å; Y176-F178 HydrophobicContact CG-CE2 3.95Å; Y176-F178 AromaticContact CG-CZ 3.89Å; Y176-F178 HydrophobicContact CG-CZ 3.89Å; Y176-F198 HydrophobicContact CD1-CE2 4.3Å; Y176-F198 AromaticContact CD1-CZ 3.77Å; Y176-F198 HydrophobicContact CD1-CZ 3.77Å; Y176-F198 AromaticContact CE1-CE2 3.69Å; Y176-F198 HydrophobicContact CE1-CE2 3.69Å; Y176-F198 AromaticContact CE1-CZ 3.57Å; Y176-F198 HydrophobicContact CE1-CZ 3.57Å; Y176-F198 HydrophobicContact CG-CZ 4.35Å
177I98.6Very high95.3Very high0 Ų027.1 Ų27.10%015%0.149CC..EExtended strand (participates in β ladder)trans-135.9142.5164.6-174.9174.7000109.4P103 F104 F105 L120 L121 H124 G131 T132P103-I177 HydrophobicContact CB-CD1 4.13Å; P103-I177 HydrophobicContact CB-CG1 4.07Å; F104-I177 WeakPolarHBondContact O-CA 3.44Å; F105-I177 HydrophobicContact CD1-CB 3.94Å; F105-I177 HydrophobicContact CD1-CD1 4.18Å; F105-I177 HydrophobicContact CD1-CG1 4.17Å; F105-I177 HydrophobicContact CE1-CB 4.17Å; F105-I177 HydrophobicContact CE1-CD1 3.74Å; F105-I177 HydrophobicContact CE1-CG1 4.23Å; F105-I177 HydrophobicContact CZ-CD1 4.02Å; L120-I177 HydrophobicContact CD1-CG2 3.73Å; L120-I177 HydrophobicContact CD2-CB 4.29Å; L120-I177 HydrophobicContact CD2-CG2 4.15Å; L120-I177 HydrophobicContact CG-CB 4.2Å; L120-I177 HydrophobicContact CG-CG2 3.62Å; L121-I177 HydrophobicContact CB-CD1 4.18Å; L121-I177 HydrophobicContact CD1-CD1 3.54Å; L121-I177 HydrophobicContact CG-CD1 4.49Å; H124-I177 HydrophobicContact CB-CD1 4.11Å; H124-I177 HydrophobicContact CB-CG2 3.53Å; G131-I177 WeakPolarHBondContact CA-O 3.17Å; T132-I177 PolarHBondContact N-O 3.18Å; T132-I177 PolarHBondContact O-N 3.41Å
178F98.5Very high95.6Very high0 Ų030.1 Ų30.10%016%0.164CC..EExtended strand (participates in β ladder)trans-145.8129.9-159.9-82.6-29.1000111.3L90 P103 F104 V106 E130 Y176 M182 I193 F198 L207L90-F178 HydrophobicContact CD2-CD2 4.34Å; L90-F178 HydrophobicContact CD2-CE2 4.38Å; P103-F178 CarbonylContact C-O 3.55Å; P103-F178 WeakPolarHBondContact CA-O 3.35Å; F104-F178 HydrophobicContact CD1-CB 4.44Å; F104-F178 VanDerWaalsContact CD1-O 3.23Å; F104-F178 WeakPolarHBondContact CD1-O 3.48Å; F104-F178 HydrophobicContact CD2-CB 4.49Å; F104-F178 HydrophobicContact CE1-CB 3.93Å; F104-F178 WeakPolarHBondContact CE1-O 3.47Å; F104-F178 HydrophobicContact CE2-CB 4.01Å; F104-F178 HydrophobicContact CE2-CD2 4.28Å; F104-F178 HydrophobicContact CZ-CB 3.7Å; F104-F178 HydrophobicContact CZ-CD2 4.44Å; F104-F178 PolarHBondContact N-O 3.48Å; F104-F178 PolarHBondContact O-N 2.83Å; V106-F178 HydrophobicContact CB-CD2 4.19Å; V106-F178 HydrophobicContact CB-CE2 4.14Å; V106-F178 HydrophobicContact CG2-CD2 3.65Å; V106-F178 HydrophobicContact CG2-CE2 4.05Å; E130-F178 WeakPolarHBondContact O-CA 3.28Å; Y176-F178 VanDerWaalsContact CB-CE2 3.44Å; Y176-F178 VanDerWaalsContact CB-CZ 3.45Å; Y176-F178 HydrophobicContact CD1-CZ 4.35Å; Y176-F178 HydrophobicContact CD2-CE2 4.26Å; Y176-F178 AromaticContact CG-CE2 3.95Å; Y176-F178 HydrophobicContact CG-CE2 3.95Å; Y176-F178 AromaticContact CG-CZ 3.89Å; Y176-F178 HydrophobicContact CG-CZ 3.89Å; F178-M182 HydrophobicContact CB-CE 3.13Å; F178-M182 HydrophobicContact CB-SD 3.51Å; F178-M182 VanDerWaalsContact CB-SD 3.51Å; F178-M182 HydrophobicContact CD1-CE 3.38Å; F178-M182 HydrophobicContact CD1-CG 4.47Å; F178-M182 HydrophobicContact CD1-SD 4.29Å; F178-M182 HydrophobicContact CD2-CE 4.49Å; F178-M182 HydrophobicContact CD2-SD 4.46Å; F178-M182 HydrophobicContact CG-CE 3.4Å; F178-M182 HydrophobicContact CG-CG 4.4Å; F178-M182 HydrophobicContact CG-SD 3.83Å; F178-I193 HydrophobicContact CE2-CD1 3.94Å; F178-I193 HydrophobicContact CZ-CD1 4.06Å; F178-F198 HydrophobicContact CE1-CE1 4.12Å; F178-F198 AromaticContact CZ-CE1 3.55Å; F178-F198 HydrophobicContact CZ-CE1 3.55Å; F178-F198 AromaticContact CZ-CZ 3.94Å; F178-F198 HydrophobicContact CZ-CZ 3.94Å; F178-L207 HydrophobicContact CE1-CD1 4.37Å
179N97.8Very high95.7Very high40 Ų4033.9 Ų33.921%0.21417%0.174CC..  trans-73.2139.1163.1-71.7-40.4000112.4H124 Q129 E130 S181 M182H124-N179 PolarHBondContact NE2-ND2 3.36Å; H124-N179 PolarHBondContact NE2-OD1 2.9Å; Q129-N179 PolarHBondContact O-ND2 2.88Å; E130-N179 PolarHBondContact O-N 3.36Å; N179-S181 PolarHBondContact O-N 3.49Å; N179-M182 VanDerWaalsContact N-CE 3.32Å; N179-M182 WeakPolarHBondContact O-CE 3.31Å; N179-M182 PolarHBondContact O-N 2.92Å
180P96.5Very high95.8Very high5 Ų535.9 Ų35.93%0.03219%0.19CC..G310 helixtrans-54.2-19.8-175.3-31.140000117.2N98 E102 F104 M182 L183N98-P180 HydrophobicContact CB-CB 4.33Å; N98-P180 WeakPolarHBondContact OD1-CB 3.14Å; E102-P180 VanDerWaalsContact O-CD 3.3Å; E102-P180 WeakPolarHBondContact O-CD 3.49Å; E102-P180 VanDerWaalsContact O-CG 3.24Å; E102-P180 WeakPolarHBondContact O-CG 3.49Å; F104-P180 HydrophobicContact CD1-CG 4.32Å; F104-P180 HydrophobicContact CE1-CG 4.42Å; P180-M182 VanDerWaalsContact C-N 3.28Å; P180-M182 PolarHBondContact O-N 2.59Å; P180-L183 HydrophobicContact CB-CD1 4.35Å; P180-L183 VanDerWaalsContact O-CB 3.27Å; P180-L183 WeakPolarHBondContact O-CB 3.43Å; P180-L183 WeakPolarHBondContact O-CG 3.39Å; P180-L183 PolarHBondContact O-N 3.45Å
181S96.2Very high95.8Very high55 Ų5533.8 Ų33.839%0.38518%0.181SC..G310 helixtrans-54.9-34.4174.957.50000114.2N179 L183 S184N179-S181 PolarHBondContact O-N 3.49Å; S181-L183 PolarHBondContact O-N 3.49Å; S181-S184 WeakPolarHBondContact O-CB 3.42Å; S181-S184 PolarHBondContact O-N 2.83Å; S181-S184 PolarHBondContact O-OG 2.91Å
182M96.3Very high95.7Very high2 Ų235 Ų351%0.0119%0.189CC..G310 helixtrans-68.8-17.9178.686.4-66.8-61.400113.4F104 E130 F178 N179 P180 S184 R185 M201F104-M182 HydrophobicContact CE1-SD 4.01Å; F104-M182 HydrophobicContact CZ-SD 3.79Å; E130-M182 HydrophobicContact CB-CE 4.36Å; E130-M182 WeakPolarHBondContact O-CE 3.2Å; F178-M182 HydrophobicContact CB-CE 3.13Å; F178-M182 HydrophobicContact CB-SD 3.51Å; F178-M182 VanDerWaalsContact CB-SD 3.51Å; F178-M182 HydrophobicContact CD1-CE 3.38Å; F178-M182 HydrophobicContact CD1-CG 4.47Å; F178-M182 HydrophobicContact CD1-SD 4.29Å; F178-M182 HydrophobicContact CD2-CE 4.49Å; F178-M182 HydrophobicContact CD2-SD 4.46Å; F178-M182 HydrophobicContact CG-CE 3.4Å; F178-M182 HydrophobicContact CG-CG 4.4Å; F178-M182 HydrophobicContact CG-SD 3.83Å; N179-M182 VanDerWaalsContact N-CE 3.32Å; N179-M182 WeakPolarHBondContact O-CE 3.31Å; N179-M182 PolarHBondContact O-N 2.92Å; P180-M182 VanDerWaalsContact C-N 3.28Å; P180-M182 PolarHBondContact O-N 2.59Å; M182-S184 PolarHBondContact O-N 3.38Å; M182-S184 VanDerWaalsContact O-N 3.09Å; M182-R185 VanDerWaalsContact O-CB 3.23Å; M182-R185 WeakPolarHBondContact O-CB 3.33Å; M182-R185 PolarHBondContact O-N 3.3Å; M182-M201 HydrophobicContact CB-CE 4.16Å; M182-M201 HydrophobicContact CB-SD 4.45Å
183L96.7Very high95.6Very high4 Ų434.5 Ų34.52%0.02119%0.187CC..G310 helixtrans-61-21.7178-63.2172.3000111.5L90 R94 L97 N98 F104 P180 S181 R185 I186L90-L183 HydrophobicContact CB-CD2 4.02Å; R94-L183 HydrophobicContact CG-CB 4.28Å; R94-L183 HydrophobicContact CG-CD1 4.18Å; R94-L183 PolarHBondContact NE-O 3.03Å; R94-L183 PolarHBondContact NH2-O 3.32Å; L97-L183 HydrophobicContact CB-CD1 3.93Å; L97-L183 HydrophobicContact CD1-CD2 4.27Å; N98-L183 HydrophobicContact CB-CD1 4.23Å; F104-L183 HydrophobicContact CE1-CD1 4.15Å; F104-L183 HydrophobicContact CE1-CD2 4.45Å; F104-L183 HydrophobicContact CE1-CG 4.26Å; F104-L183 HydrophobicContact CZ-CD1 4.3Å; F104-L183 HydrophobicContact CZ-CD2 3.81Å; F104-L183 HydrophobicContact CZ-CG 4.1Å; P180-L183 HydrophobicContact CB-CD1 4.35Å; P180-L183 VanDerWaalsContact O-CB 3.27Å; P180-L183 WeakPolarHBondContact O-CB 3.43Å; P180-L183 WeakPolarHBondContact O-CG 3.39Å; P180-L183 PolarHBondContact O-N 3.45Å; S181-L183 PolarHBondContact O-N 3.49Å; L183-R185 VanDerWaalsContact C-N 3.27Å; L183-R185 PolarHBondContact O-N 2.95Å; L183-I186 PolarHBondContact O-N 3.22Å
184S95.1Very high95.6Very high99 Ų9935.3 Ų35.369%0.69219%0.19SC*.G310 helixtrans-68.8-22.1172.468.90000113.6S181 M182 I186S181-S184 WeakPolarHBondContact O-CB 3.42Å; S181-S184 PolarHBondContact O-N 2.83Å; S181-S184 PolarHBondContact O-OG 2.91Å; M182-S184 PolarHBondContact O-N 3.38Å; M182-S184 VanDerWaalsContact O-N 3.09Å; S184-I186 VanDerWaalsContact C-N 3.3Å
185R95.8Very high95.5Very high67 Ų6742 Ų4225%0.25322%0.219SC..G310 helixtrans-78.9-15.4178-56.8178.7175.9-89.80.9112.9E130 M182 L183 I197 E204 H206E130-R185 IonicContact OE1-CZ 2.66Å; E130-R185 IonicContact OE1-NE 2.76Å; E130-R185 IonicContact OE1-NH2 3.12Å; E130-R185 PolarHBondContact OE1-NH2 3.48Å; E130-R185 IonicContact OE2-CZ 2.81Å; E130-R185 IonicContact OE2-NE 3.38Å; E130-R185 PolarHBondContact OE2-NE 3.33Å; E130-R185 IonicContact OE2-NH2 2.71Å; E130-R185 PolarHBondContact OE2-NH2 2.92Å; M182-R185 VanDerWaalsContact O-CB 3.23Å; M182-R185 WeakPolarHBondContact O-CB 3.33Å; M182-R185 PolarHBondContact O-N 3.3Å; L183-R185 VanDerWaalsContact C-N 3.27Å; L183-R185 PolarHBondContact O-N 2.95Å; R185-I197 HydrophobicContact CB-CD1 4.42Å; R185-E204 IonicContact CZ-OE2 2.73Å; R185-E204 IonicContact NH1-OE1 3.76Å; R185-E204 PolarHBondContact NH1-OE1 3.39Å; R185-E204 IonicContact NH1-OE2 3.38Å; R185-E204 PolarHBondContact NH1-OE2 3Å; R185-E204 IonicContact NH2-OE2 3.78Å; R185-E204 PolarHBondContact NH2-OE2 3.45Å; R185-H206 PolarHBondContact NH2-CD2 2.96Å
186I95.9Very high95.4Very high2 Ų245.5 Ų45.51%0.0124%0.235CC..  trans-106.1118.3-171.8-47.6175.2000109A87 L90 A91 R94 L183 S184 I197A87-I186 HydrophobicContact CB-CD1 4.26Å; A87-I186 HydrophobicContact CB-CG2 3.82Å; A87-I186 WeakPolarHBondContact O-CG2 3.43Å; L90-I186 HydrophobicContact CB-CD1 3.82Å; L90-I186 HydrophobicContact CD2-CD1 3.95Å; A91-I186 HydrophobicContact CB-CB 4.27Å; A91-I186 HydrophobicContact CB-CG2 3.76Å; R94-I186 PolarHBondContact NH2-O 2.77Å; L183-I186 PolarHBondContact O-N 3.22Å; S184-I186 VanDerWaalsContact C-N 3.3Å; I186-I197 HydrophobicContact CG1-CD1 4.2Å; I186-I197 HydrophobicContact CG1-CG1 4.34Å
187Q93.3Very high95.3Very high124 Ų12446.1 Ų46.158%0.57924%0.238SC*.  trans-83.2150.4170.9-68.6174.6-12.100109.8R189Q187-R189 HydrophobicContact CB-CG 3.98Å; Q187-R189 PolarHBondContact O-N 3.3Å
188L92.3Very high95.3Very high108 Ų10846.1 Ų46.157%0.56524%0.238SC*.SBendtrans-76.473.2175-171.665.9000110L84 A91 L92L84-L188 HydrophobicContact CD1-CD1 3.92Å; A91-L188 HydrophobicContact CB-CB 4.43Å; A91-L188 HydrophobicContact CB-CD1 4.03Å; L92-L188 HydrophobicContact CB-CD1 4.04Å; L92-L188 HydrophobicContact CD1-CD1 4.24Å
189R93.1Very high95.2Very high99 Ų9947.5 Ų47.537%0.37425%0.248SC..SBendtrans-150.4164.7177.466.9172.8176.576.2-3.5109.1Q187 T191 E196Q187-R189 HydrophobicContact CB-CG 3.98Å; Q187-R189 PolarHBondContact O-N 3.3Å; R189-T191 WeakPolarHBondContact CG-OG1 3.3Å; R189-T191 PolarHBondContact NH1-OG1 2.86Å; R189-T191 PolarHBondContact O-N 2.91Å; R189-T191 PolarHBondContact O-OG1 3.47Å; R189-E196 IonicContact CZ-OE2 2.86Å; R189-E196 IonicContact NH1-OE1 3.84Å; R189-E196 IonicContact NH1-OE2 3.95Å; R189-E196 PolarHBondContact NH1-OE2 2.77Å; R189-E196 IonicContact NH2-OE2 3.89Å; R189-E196 PolarHBondContact NH2-OE2 3.25Å
190P92.8Very high95.1Very high83 Ų8347.6 Ų47.654%0.53925%0.25SC..SBendtrans-48.8115.2167.9-2836.4000112.1L84L84-P190 HydrophobicContact CD2-CG 4.31Å; L84-P190 CarbonylContact O-C 3.06Å; L84-P190 WeakPolarHBondContact O-CA 3.47Å
191T93.3Very high95.2Very high4 Ų447.4 Ų47.43%0.02525%0.248CC..  trans-150.3129.2-172.8-50.40000110.1L84 G85 T86 A87 R189 E196 I197L84-T191 PolarHBondContact O-N 3.05Å; G85-T191 CarbonylContact C-O 3.58Å; T86-T191 PolarHBondContact N-O 2.88Å; T86-T191 VanDerWaalsContact N-O 3.16Å; A87-T191 HydrophobicContact CB-CG2 3.8Å; A87-T191 WeakPolarHBondContact CB-O 3.26Å; A87-T191 PolarHBondContact N-O 2.88Å; R189-T191 WeakPolarHBondContact CG-OG1 3.3Å; R189-T191 PolarHBondContact NH1-OG1 2.86Å; R189-T191 PolarHBondContact O-N 2.91Å; R189-T191 PolarHBondContact O-OG1 3.47Å; T191-E196 WeakPolarHBondContact CA-OE1 3.34Å; T191-E196 HydrophobicContact CG2-CB 4.09Å; T191-I197 HydrophobicContact CG2-CD1 4.35Å; T191-I197 HydrophobicContact CG2-CG1 4.38Å
192S94.1Very high95.3Very high25 Ų2545 Ų4518%0.17523%0.231CC..  trans-93.6125.5170.5161.10000110.4T86 E194 K195 E196T86-S192 WeakPolarHBondContact OG1-CA 3.26Å; S192-E194 VanDerWaalsContact C-N 3.27Å; S192-E194 PolarHBondContact O-N 3.43Å; S192-E194 PolarHBondContact OG-N 3.41Å; S192-E194 PolarHBondContact OG-OE2 3.1Å; S192-K195 PolarHBondContact O-N 2.96Å; S192-K195 PolarHBondContact OG-N 2.79Å; S192-E196 PolarHBondContact N-OE1 3.46Å; S192-E196 WeakPolarHBondContact O-CB 3.43Å; S192-E196 PolarHBondContact O-N 3.11Å
193I95.3Very high95.3Very high3 Ų354 Ų542%0.01527%0.265CS..Iπ-helixtrans-63.8-37.9178.5-158.6174.6000110.8T86 A87 L90 F178 I197 F198T86-I193 PolarHBondContact OG1-N 2.77Å; A87-I193 HydrophobicContact CB-CB 3.86Å; A87-I193 HydrophobicContact CB-CG1 4.35Å; L90-I193 HydrophobicContact CD2-CD1 4.1Å; F178-I193 HydrophobicContact CE2-CD1 3.94Å; F178-I193 HydrophobicContact CZ-CD1 4.06Å; I193-I197 HydrophobicContact CG1-CB 3.86Å; I193-I197 HydrophobicContact CG1-CG1 4.23Å; I193-I197 HydrophobicContact CG1-CG2 4.23Å; I193-I197 WeakPolarHBondContact O-CB 3.09Å; I193-I197 PolarHBondContact O-N 2.64Å; I193-I197 VanDerWaalsContact O-N 3.1Å; I193-F198 HydrophobicContact CB-CZ 4.45Å; I193-F198 HydrophobicContact CD1-CD1 4.4Å; I193-F198 HydrophobicContact CD1-CE1 3.51Å; I193-F198 HydrophobicContact CD1-CZ 3.65Å; I193-F198 HydrophobicContact CG1-CD1 3.98Å; I193-F198 HydrophobicContact CG1-CE1 3.53Å; I193-F198 HydrophobicContact CG1-CE2 4.4Å; I193-F198 HydrophobicContact CG1-CZ 3.78Å; I193-F198 HydrophobicContact CG2-CE2 3.95Å; I193-F198 HydrophobicContact CG2-CZ 3.92Å; I193-F198 PolarHBondContact O-N 2.96Å
194E94.8Very high95.3Very high17 Ų1758.4 Ų58.48%0.07929%0.286CS..Iπ-helixtrans-71.4-32.4-177.3-53.984.5179.400112.8T86 F159 E161 S192 F198 P199T86-E194 PolarHBondContact OG1-OE1 3.42Å; T86-E194 PolarHBondContact OG1-OE2 3.2Å; F159-E194 WeakPolarHBondContact CD1-O 3.08Å; F159-E194 HydrophobicContact CE1-CB 3.78Å; F159-E194 VanDerWaalsContact CE1-O 3.24Å; F159-E194 WeakPolarHBondContact CE1-O 3.25Å; F159-E194 HydrophobicContact CZ-CB 4.04Å; F159-E194 HydrophobicContact CZ-CG 4.28Å; E161-E194 HydrophobicContact CB-CB 4.3Å; E161-E194 HydrophobicContact CG-CB 4.16Å; E161-E194 WeakPolarHBondContact OE2-CB 3.22Å; S192-E194 VanDerWaalsContact C-N 3.27Å; S192-E194 PolarHBondContact O-N 3.43Å; S192-E194 PolarHBondContact OG-N 3.41Å; S192-E194 PolarHBondContact OG-OE2 3.1Å; E194-F198 HydrophobicContact CG-CD2 4.45Å; E194-F198 HydrophobicContact CG-CE2 4.39Å; E194-P199 WeakPolarHBondContact O-CD 3.31Å; E194-P199 WeakPolarHBondContact O-CG 3.45Å
195K93.8Very high95.4Very high143 Ų14354.4 Ų54.462%0.62226%0.26SS*.Iπ-helixtrans-94.9-36.3-177.2-66.3-177.1178.6-177.80113.6E161 S192E161-K195 HydrophobicContact CB-CG 4.06Å; E161-K195 HydrophobicContact CG-CG 4.01Å; S192-K195 PolarHBondContact O-N 2.96Å; S192-K195 PolarHBondContact OG-N 2.79Å
196E95.3Very high95.5Very high75 Ų7553.8 Ų53.835%0.3526%0.26SS..Iπ-helixtrans-108-32.6-170.7-66.7176.7-107.200113R189 T191 S192 V200R189-E196 IonicContact CZ-OE2 2.86Å; R189-E196 IonicContact NH1-OE1 3.84Å; R189-E196 IonicContact NH1-OE2 3.95Å; R189-E196 PolarHBondContact NH1-OE2 2.77Å; R189-E196 IonicContact NH2-OE2 3.89Å; R189-E196 PolarHBondContact NH2-OE2 3.25Å; T191-E196 WeakPolarHBondContact CA-OE1 3.34Å; T191-E196 HydrophobicContact CG2-CB 4.09Å; S192-E196 PolarHBondContact N-OE1 3.46Å; S192-E196 WeakPolarHBondContact O-CB 3.43Å; S192-E196 PolarHBondContact O-N 3.11Å; E196-V200 VanDerWaalsContact O-CG2 3.25Å; E196-V200 WeakPolarHBondContact O-CG2 3.25Å
197I96.9Very high95.7Very high13 Ų1353.7 Ų53.77%0.06726%0.259CS..Iπ-helixtrans-101.4-53.8-170.6-52.2-59.1000111.8A87 R185 I186 T191 I193 V200 M201A87-I197 HydrophobicContact CB-CG1 4.27Å; R185-I197 HydrophobicContact CB-CD1 4.42Å; I186-I197 HydrophobicContact CG1-CD1 4.2Å; I186-I197 HydrophobicContact CG1-CG1 4.34Å; T191-I197 HydrophobicContact CG2-CD1 4.35Å; T191-I197 HydrophobicContact CG2-CG1 4.38Å; I193-I197 HydrophobicContact CG1-CB 3.86Å; I193-I197 HydrophobicContact CG1-CG1 4.23Å; I193-I197 HydrophobicContact CG1-CG2 4.23Å; I193-I197 WeakPolarHBondContact O-CB 3.09Å; I193-I197 PolarHBondContact O-N 2.64Å; I193-I197 VanDerWaalsContact O-N 3.1Å; I197-V200 PolarHBondContact O-N 2.92Å; I197-V200 VanDerWaalsContact O-N 3.13Å; I197-M201 HydrophobicContact CG2-CG 4.16Å; I197-M201 HydrophobicContact CG2-SD 3.68Å; I197-M201 WeakPolarHBondContact O-CG 3.5Å; I197-M201 PolarHBondContact O-N 3.29Å
198F97.4Very high95.9Very high0 Ų049.1 Ų49.10%024%0.237CC..Hα-helixtrans-58.7-43.5-178.7-66.9-18.4000114.1I133 F159 Y176 F178 I193 E194 V200 M201 A202 L207I133-F198 HydrophobicContact CD1-CD1 3.91Å; I133-F198 HydrophobicContact CD1-CD2 3.57Å; I133-F198 HydrophobicContact CD1-CE1 3.86Å; I133-F198 HydrophobicContact CD1-CE2 3.52Å; I133-F198 HydrophobicContact CD1-CG 3.77Å; I133-F198 HydrophobicContact CD1-CZ 3.67Å; I133-F198 HydrophobicContact CG1-CE1 4.43Å; I133-F198 HydrophobicContact CG1-CE2 4.48Å; I133-F198 HydrophobicContact CG1-CZ 4.25Å; F159-F198 HydrophobicContact CB-CB 4.28Å; F159-F198 HydrophobicContact CD1-CB 4.01Å; F159-F198 HydrophobicContact CD1-CD2 4.48Å; F159-F198 HydrophobicContact CD2-CB 4.09Å; F159-F198 HydrophobicContact CD2-CD2 4.04Å; F159-F198 HydrophobicContact CD2-CG 4.46Å; F159-F198 HydrophobicContact CE1-CB 4.44Å; F159-F198 HydrophobicContact CE1-CD2 4.13Å; F159-F198 HydrophobicContact CE2-CB 4.48Å; F159-F198 AromaticContact CE2-CD2 3.63Å; F159-F198 HydrophobicContact CE2-CD2 3.63Å; F159-F198 HydrophobicContact CE2-CE2 4.32Å; F159-F198 HydrophobicContact CE2-CG 4.46Å; F159-F198 HydrophobicContact CG-CB 3.85Å; F159-F198 HydrophobicContact CG-CD2 4.46Å; F159-F198 AromaticContact CZ-CD2 3.69Å; F159-F198 HydrophobicContact CZ-CD2 3.69Å; F159-F198 HydrophobicContact CZ-CE2 4.41Å; Y176-F198 HydrophobicContact CD1-CE2 4.3Å; Y176-F198 AromaticContact CD1-CZ 3.77Å; Y176-F198 HydrophobicContact CD1-CZ 3.77Å; Y176-F198 AromaticContact CE1-CE2 3.69Å; Y176-F198 HydrophobicContact CE1-CE2 3.69Å; Y176-F198 AromaticContact CE1-CZ 3.57Å; Y176-F198 HydrophobicContact CE1-CZ 3.57Å; Y176-F198 HydrophobicContact CG-CZ 4.35Å; F178-F198 HydrophobicContact CE1-CE1 4.12Å; F178-F198 AromaticContact CZ-CE1 3.55Å; F178-F198 HydrophobicContact CZ-CE1 3.55Å; F178-F198 AromaticContact CZ-CZ 3.94Å; F178-F198 HydrophobicContact CZ-CZ 3.94Å; I193-F198 HydrophobicContact CB-CZ 4.45Å; I193-F198 HydrophobicContact CD1-CD1 4.4Å; I193-F198 HydrophobicContact CD1-CE1 3.51Å; I193-F198 HydrophobicContact CD1-CZ 3.65Å; I193-F198 HydrophobicContact CG1-CD1 3.98Å; I193-F198 HydrophobicContact CG1-CE1 3.53Å; I193-F198 HydrophobicContact CG1-CE2 4.4Å; I193-F198 HydrophobicContact CG1-CZ 3.78Å; I193-F198 HydrophobicContact CG2-CE2 3.95Å; I193-F198 HydrophobicContact CG2-CZ 3.92Å; I193-F198 PolarHBondContact O-N 2.96Å; E194-F198 HydrophobicContact CG-CD2 4.45Å; E194-F198 HydrophobicContact CG-CE2 4.39Å; F198-V200 PolarHBondContact O-N 3.16Å; F198-M201 PolarHBondContact O-N 2.96Å; F198-A202 VanDerWaalsContact O-CB 3.26Å; F198-A202 WeakPolarHBondContact O-CB 3.3Å; F198-A202 PolarHBondContact O-N 2.96Å; F198-L207 HydrophobicContact CB-CD2 3.87Å; F198-L207 HydrophobicContact CD1-CD1 4.24Å; F198-L207 HydrophobicContact CD1-CD2 4.01Å; F198-L207 HydrophobicContact CG-CD2 4.09Å
199P96.3Very high96.2Very high30 Ų3044.1 Ų44.120%0.19521%0.211CC..Hα-helixtrans-62.8-33177.7-24.637.1000112.7F159 E194 R203F159-P199 HydrophobicContact CD1-CG 4.4Å; E194-P199 WeakPolarHBondContact O-CD 3.31Å; E194-P199 WeakPolarHBondContact O-CG 3.45Å; P199-R203 WeakPolarHBondContact O-CG 3.17Å; P199-R203 PolarHBondContact O-N 3.02Å
200V96.9Very high96.4Very high42 Ų4240.5 Ų40.526%0.25520%0.199SC..Hα-helixtrans-71.3-52.6176.4177.50000110.4E196 I197 F198 A202 R203 E204E196-V200 VanDerWaalsContact O-CG2 3.25Å; E196-V200 WeakPolarHBondContact O-CG2 3.25Å; I197-V200 PolarHBondContact O-N 2.92Å; I197-V200 VanDerWaalsContact O-N 3.13Å; F198-V200 PolarHBondContact O-N 3.16Å; V200-A202 VanDerWaalsContact C-N 3.27Å; V200-A202 PolarHBondContact O-N 2.85Å; V200-R203 PolarHBondContact O-N 2.85Å; V200-R203 VanDerWaalsContact O-N 3.14Å; V200-E204 VanDerWaalsContact CG1-OE1 3.23Å; V200-E204 WeakPolarHBondContact CG1-OE1 3.41Å; V200-E204 WeakPolarHBondContact O-CG 2.93Å; V200-E204 PolarHBondContact O-N 2.79Å
201M97.8Very high96.6Very high1 Ų140.2 Ų40.21%0.00519%0.191CC..Hα-helixtrans-59-37.6179-66.4175.874.600112.4E130 M182 I197 F198 E204 G205 H206 L207E130-M201 HydrophobicContact CB-CE 3.65Å; M182-M201 HydrophobicContact CB-CE 4.16Å; M182-M201 HydrophobicContact CB-SD 4.45Å; I197-M201 HydrophobicContact CG2-CG 4.16Å; I197-M201 HydrophobicContact CG2-SD 3.68Å; I197-M201 WeakPolarHBondContact O-CG 3.5Å; I197-M201 PolarHBondContact O-N 3.29Å; F198-M201 PolarHBondContact O-N 2.96Å; M201-E204 PolarHBondContact O-N 2.81Å; M201-G205 PolarHBondContact O-N 2.94Å; M201-G205 VanDerWaalsContact O-N 3.15Å; M201-H206 PolarHBondContact O-N 2.96Å; M201-L207 HydrophobicContact CB-CB 3.92Å; M201-L207 HydrophobicContact CB-CD1 4.37Å; M201-L207 HydrophobicContact CB-CD2 4.34Å; M201-L207 HydrophobicContact CB-CG 4.46Å; M201-L207 HydrophobicContact CE-CD1 3.84Å; M201-L207 HydrophobicContact SD-CD1 4.13Å
202A97.4Very high96.7Very high3 Ų340.5 Ų40.53%0.02519%0.192CC..Hα-helixtrans-63.8-46.8175.700000112I156 F198 V200 E204 G205 L207I156-A202 HydrophobicContact CB-CB 4.33Å; I156-A202 HydrophobicContact CG2-CB 3.83Å; F198-A202 VanDerWaalsContact O-CB 3.26Å; F198-A202 WeakPolarHBondContact O-CB 3.3Å; F198-A202 PolarHBondContact O-N 2.96Å; V200-A202 VanDerWaalsContact C-N 3.27Å; V200-A202 PolarHBondContact O-N 2.85Å; A202-E204 VanDerWaalsContact C-N 3.26Å; A202-E204 PolarHBondContact O-N 3.37Å; A202-G205 PolarHBondContact O-N 3.47Å; A202-L207 HydrophobicContact CB-CD2 4.33Å
203R96.8Very high96.6Very high193 Ų19346 Ų4673%0.72822%0.215SC*.Hα-helixtrans-61.8-34.4177.4-76.2-173.4-57.2-147.12.5112.8P199 V200 G205P199-R203 WeakPolarHBondContact O-CG 3.17Å; P199-R203 PolarHBondContact O-N 3.02Å; V200-R203 PolarHBondContact O-N 2.85Å; V200-R203 VanDerWaalsContact O-N 3.14Å; R203-G205 VanDerWaalsContact C-N 3.28Å
204E97.3Very high96.3Very high96 Ų9648.7 Ų48.745%0.44924%0.243SC..THydrogen-bonded Turntrans-81.4-5.7177.8-66174-169.300113.2R185 V200 M201 A202 H206R185-E204 IonicContact CZ-OE2 2.73Å; R185-E204 IonicContact NH1-OE1 3.76Å; R185-E204 PolarHBondContact NH1-OE1 3.39Å; R185-E204 IonicContact NH1-OE2 3.38Å; R185-E204 PolarHBondContact NH1-OE2 3Å; R185-E204 IonicContact NH2-OE2 3.78Å; R185-E204 PolarHBondContact NH2-OE2 3.45Å; V200-E204 VanDerWaalsContact CG1-OE1 3.23Å; V200-E204 WeakPolarHBondContact CG1-OE1 3.41Å; V200-E204 WeakPolarHBondContact O-CG 2.93Å; V200-E204 PolarHBondContact O-N 2.79Å; M201-E204 PolarHBondContact O-N 2.81Å; A202-E204 VanDerWaalsContact C-N 3.26Å; A202-E204 PolarHBondContact O-N 3.37Å; E204-H206 IonicContact OE2-CD2 2.71Å
205G97.2Very high96.2Very high15 Ų1548.9 Ų48.916%0.15524%0.244CC..THydrogen-bonded Turntrans77.917.9179.100000114.7M201 A202 R203 Y208M201-G205 PolarHBondContact O-N 2.94Å; M201-G205 VanDerWaalsContact O-N 3.15Å; A202-G205 PolarHBondContact O-N 3.47Å; R203-G205 VanDerWaalsContact C-N 3.28Å; G205-Y208 WeakPolarHBondContact O-CE2 3.39Å
206H98.3Very high96.3Very high53 Ų5343.1 Ų43.125%0.24522%0.218CC..  trans-97.73.6-177.7-69.5-55000114.5Q129 E130 G131 R185 M201 E204Q129-H206 PolarHBondContact OE1-ND1 3.43Å; E130-H206 HydrophobicContact CB-CB 4.09Å; E130-H206 HydrophobicContact CG-CB 4.05Å; E130-H206 PolarHBondContact N-O 3.46Å; G131-H206 PolarHBondContact N-O 3.01Å; R185-H206 PolarHBondContact NH2-CD2 2.96Å; M201-H206 PolarHBondContact O-N 2.96Å; E204-H206 IonicContact OE2-CD2 2.71Å
207L98.4Very high96.3Very high0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-124.6129.8-174.5-159.669.7000111.9G131 I133 I156 F178 F198 M201 A202G131-L207 WeakPolarHBondContact O-CA 3.36Å; I133-L207 HydrophobicContact CD1-CD1 4.07Å; I133-L207 HydrophobicContact CD1-CD2 3.68Å; I133-L207 HydrophobicContact CD1-CG 4.04Å; I133-L207 HydrophobicContact CG1-CD1 3.98Å; I133-L207 HydrophobicContact CG1-CD2 4.39Å; I133-L207 HydrophobicContact CG1-CG 4.21Å; I156-L207 WeakPolarHBondContact CB-O 3.39Å; I156-L207 HydrophobicContact CD1-CB 4.47Å; I156-L207 HydrophobicContact CD1-CD2 3.9Å; I156-L207 HydrophobicContact CD1-CG 3.83Å; I156-L207 PolarHBondContact N-O 3.07Å; F178-L207 HydrophobicContact CE1-CD1 4.37Å; F198-L207 HydrophobicContact CB-CD2 3.87Å; F198-L207 HydrophobicContact CD1-CD1 4.24Å; F198-L207 HydrophobicContact CD1-CD2 4.01Å; F198-L207 HydrophobicContact CG-CD2 4.09Å; M201-L207 HydrophobicContact CB-CB 3.92Å; M201-L207 HydrophobicContact CB-CD1 4.37Å; M201-L207 HydrophobicContact CB-CD2 4.34Å; M201-L207 HydrophobicContact CB-CG 4.46Å; M201-L207 HydrophobicContact CE-CD1 3.84Å; M201-L207 HydrophobicContact SD-CD1 4.13Å; A202-L207 HydrophobicContact CB-CD2 4.33Å
208Y98.6Very high96.2Very high29 Ų2941.1 Ų41.111%0.11421%0.209CC..EExtended strand (participates in β ladder)trans-124.3154.1-175.5-72.7-110.1000110.7H127 Q129 G131 T132 I133 S153 G154 R155 G205H127-Y208 HydrophobicContact CB-CD1 4.11Å; H127-Y208 HydrophobicContact CB-CE1 4.03Å; H127-Y208 HydrophobicContact CB-CG 4.47Å; H127-Y208 AromaticContact CD2-CG 3.78Å; H127-Y208 AromaticContact CE1-CD2 3.78Å; H127-Y208 AromaticContact CE1-CG 3.94Å; H127-Y208 AromaticContact CG-CD1 3.96Å; H127-Y208 AromaticContact CG-CG 3.86Å; H127-Y208 AromaticContact ND1-CD2 3.69Å; H127-Y208 AromaticContact ND1-CG 3.93Å; H127-Y208 AromaticContact NE2-CG 3.82Å; Q129-Y208 HydrophobicContact CB-CD2 3.98Å; Q129-Y208 HydrophobicContact CB-CE2 3.7Å; Q129-Y208 HydrophobicContact CG-CD2 4.19Å; Q129-Y208 HydrophobicContact CG-CE2 3.44Å; Q129-Y208 VanDerWaalsContact CG-CE2 3.44Å; G131-Y208 PolarHBondContact O-N 3.46Å; T132-Y208 CarbonylContact C-O 3.51Å; T132-Y208 VanDerWaalsContact CA-O 3.27Å; T132-Y208 WeakPolarHBondContact CA-O 3.46Å; I133-Y208 PolarHBondContact N-O 2.79Å; S153-Y208 WeakPolarHBondContact O-CD1 3.28Å; G154-Y208 CarbonylContact O-C 3.52Å; G154-Y208 WeakPolarHBondContact O-CA 2.96Å; R155-Y208 HydrophobicContact CB-CD1 4.07Å; R155-Y208 HydrophobicContact CB-CE1 3.61Å; R155-Y208 HydrophobicContact CG-CE1 4.12Å; R155-Y208 HydrophobicContact CG-CE2 4.17Å; G205-Y208 WeakPolarHBondContact O-CE2 3.39Å
209A98.2Very high96Very high3 Ų341.1 Ų41.13%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-112.7135177.600000110.1I133 V135 V147 Y149 G154 I156I133-A209 CarbonylContact O-C 3.57Å; I133-A209 VanDerWaalsContact O-CA 3.29Å; I133-A209 WeakPolarHBondContact O-CA 3.48Å; V135-A209 HydrophobicContact CG1-CB 3.93Å; V135-A209 HydrophobicContact CG2-CB 4.18Å; V147-A209 HydrophobicContact CG1-CB 4.31Å; Y149-A209 HydrophobicContact CD1-CB 3.6Å; Y149-A209 HydrophobicContact CD2-CB 4.16Å; Y149-A209 HydrophobicContact CE1-CB 3.93Å; Y149-A209 HydrophobicContact CE2-CB 4.48Å; Y149-A209 HydrophobicContact CG-CB 3.7Å; G154-A209 PolarHBondContact O-N 3.12Å; I156-A209 HydrophobicContact CD1-CB 4Å; I156-A209 HydrophobicContact CG1-CB 3.81Å
210M97.7Very high95.8Very high23 Ų2339.7 Ų39.711%0.11320%0.2CC..EExtended strand (participates in β ladder)trans-117.3125.5168.9-170.4-175.681.200109.2P116 L120 F123 T132 I133 V134 V135 L212P116-M210 HydrophobicContact CB-CE 3.93Å; P116-M210 HydrophobicContact CG-CE 3.72Å; L120-M210 VanDerWaalsContact CA-SD 3.58Å; L120-M210 HydrophobicContact CB-CE 3.7Å; L120-M210 HydrophobicContact CB-SD 4.26Å; L120-M210 HydrophobicContact CD1-CB 4.37Å; L120-M210 HydrophobicContact CD1-CE 3.94Å; L120-M210 HydrophobicContact CD1-SD 4.15Å; L120-M210 HydrophobicContact CG-CE 4.39Å; F123-M210 HydrophobicContact CB-SD 3.9Å; F123-M210 HydrophobicContact CD1-CB 3.92Å; F123-M210 HydrophobicContact CD1-CG 4.25Å; F123-M210 HydrophobicContact CD1-SD 4.42Å; F123-M210 HydrophobicContact CE1-CB 4.1Å; F123-M210 HydrophobicContact CG-CB 4.48Å; F123-M210 HydrophobicContact CG-CG 4.32Å; F123-M210 HydrophobicContact CG-SD 4.25Å; T132-M210 HydrophobicContact CG2-CB 4.12Å; I133-M210 PolarHBondContact O-N 3.13Å; V134-M210 CarbonylContact C-O 3.48Å; V134-M210 WeakPolarHBondContact CA-O 3.35Å; V134-M210 HydrophobicContact CG2-CE 4.38Å; V135-M210 PolarHBondContact N-O 3.43Å; M210-L212 PolarHBondContact O-N 2.7Å
211E96.3Very high95.7Very high77 Ų7740.8 Ų40.836%0.3620%0.203SC..EExtended strand (participates in β ladder)trans-77.6123.5-179.6-167.3160.3165.700111.1V135 Y149 K170 Q213V135-E211 HydrophobicContact CG2-CB 4.27Å; Y149-E211 PolarHBondContact OH-OE2 2.85Å; K170-E211 IonicContact NZ-OE2 2.76Å; K170-E211 PolarHBondContact NZ-OE2 2.8Å; E211-Q213 PolarHBondContact O-NE2 3.44Å
212L95.8Very high95.7Very high9 Ų941.4 Ų41.45%0.04721%0.207CC..PPolyproline II helixtrans-66131.6176.8-178.963.7000110.4C113 P116 V134 V135 M175 M210 W216C113-L212 HydrophobicContact CB-CD2 3.95Å; P116-L212 HydrophobicContact CB-CD1 4.3Å; P116-L212 HydrophobicContact CG-CD1 3.63Å; V134-L212 HydrophobicContact CG1-CB 3.69Å; V134-L212 HydrophobicContact CG1-CD1 4.28Å; V134-L212 HydrophobicContact CG1-CG 4.42Å; V135-L212 WeakPolarHBondContact O-CB 3.34Å; V135-L212 PolarHBondContact O-N 3.47Å; M175-L212 HydrophobicContact CE-CD1 4.4Å; M175-L212 HydrophobicContact CE-CD2 4.2Å; M210-L212 PolarHBondContact O-N 2.7Å; L212-W216 HydrophobicContact CD2-CB 3.66Å; L212-W216 HydrophobicContact CD2-CG 4.09Å
213Q91.1Very high95.6Very high142 Ų14247.5 Ų47.566%0.66423%0.233SC*.PPolyproline II helixtrans-93.8143.3168.3-56.6-54.2-56.300109.5E211E211-Q213 PolarHBondContact O-NE2 3.44Å
214G89.6Confident95.6Very high59 Ų5939.6 Ų39.661%0.60821%0.205SC*.SBendtrans88.5-157.7-179.400000113.4
215F93.9Very high95.6Very high21 Ų2135 Ų359%0.09218%0.184CC..  trans-89.8157.5-17484.3-82000112.4I112 C113 D114 M231 Y232I112-F215 HydrophobicContact CG2-CE2 3.84Å; I112-F215 HydrophobicContact CG2-CZ 3.84Å; C113-F215 VanDerWaalsContact CA-O 3.25Å; C113-F215 WeakPolarHBondContact CA-O 3.25Å; C113-F215 WeakPolarHBondContact CB-O 3.08Å; D114-F215 PolarHBondContact N-O 3.46Å; D114-F215 WeakPolarHBondContact OD1-CE1 3.45Å; D114-F215 VanDerWaalsContact OD2-CD1 3.25Å; D114-F215 WeakPolarHBondContact OD2-CD1 3.33Å; D114-F215 PolarHBondContact OD2-N 3.14Å; F215-M231 HydrophobicContact CB-CB 4.03Å; F215-M231 HydrophobicContact CB-CE 4.11Å; F215-M231 HydrophobicContact CD2-CB 3.49Å; F215-M231 VanDerWaalsContact CD2-CB 3.49Å; F215-M231 HydrophobicContact CD2-SD 4.48Å; F215-M231 HydrophobicContact CE2-CB 4.18Å; F215-M231 HydrophobicContact CG-CB 3.84Å; F215-Y232 AromaticContact CZ-CD2 3.94Å; F215-Y232 HydrophobicContact CZ-CD2 3.94Å; F215-Y232 HydrophobicContact CZ-CG 4.42Å
216W95.9Very high95.7Very high22 Ų2234.3 Ų34.38%0.08318%0.176CC..EExtended strand (participates in β ladder)trans-144.4140.5173.7177.790.4000110.3V111 C113 T136 V138 Y144 I171 A173 L212 D218V111-W216 VanDerWaalsContact CG1-NE1 3.33Å; V111-W216 HydrophobicContact CG2-CZ2 4.45Å; C113-W216 HydrophobicContact CB-CB 4.34Å; T136-W216 HydrophobicContact CG2-CB 4.21Å; T136-W216 HydrophobicContact CG2-CD2 3.72Å; T136-W216 HydrophobicContact CG2-CE3 3.88Å; T136-W216 HydrophobicContact CG2-CG 3.87Å; V138-W216 HydrophobicContact CG1-CZ3 4.35Å; Y144-W216 HydrophobicContact CD1-CH2 4.36Å; Y144-W216 AromaticContact CE1-CH2 3.76Å; Y144-W216 HydrophobicContact CE1-CH2 3.76Å; I171-W216 HydrophobicContact CD1-CH2 3.81Å; I171-W216 HydrophobicContact CD1-CZ2 4.43Å; I171-W216 HydrophobicContact CD1-CZ3 3.93Å; A173-W216 PolarHBondContact O-NE1 3.12Å; L212-W216 HydrophobicContact CD2-CB 3.66Å; L212-W216 HydrophobicContact CD2-CG 4.09Å; W216-D218 HydrophobicContact CH2-CB 3.92Å; W216-D218 HydrophobicContact CZ2-CB 4.26Å
217M95.4Very high95.7Very high23 Ų2334 Ų3411%0.11318%0.178CC..EExtended strand (participates in β ladder)trans-148.9132.7172.9-161.170.6-16900112.1I112 I219 D224 T227 M231I112-M217 PolarHBondContact N-O 3.05Å; I112-M217 PolarHBondContact O-N 3.31Å; M217-I219 HydrophobicContact CB-CG2 4.23Å; M217-I219 HydrophobicContact CG-CG2 3.92Å; M217-D224 HydrophobicContact CE-CB 3.35Å; M217-D224 WeakPolarHBondContact CE-OD1 3.25Å; M217-T227 HydrophobicContact CE-CG2 4.05Å; M217-T227 HydrophobicContact SD-CG2 4.12Å; M217-M231 HydrophobicContact SD-SD 4.14Å
218D93.3Very high95.6Very high22 Ų2234 Ų3412%0.11818%0.178CC..EExtended strand (participates in β ladder)trans-81.1112.5157.9168.92.9000108.5W216 G220 D224W216-D218 HydrophobicContact CH2-CB 3.92Å; W216-D218 HydrophobicContact CZ2-CB 4.26Å; D218-G220 VanDerWaalsContact C-N 3.28Å; D218-G220 PolarHBondContact O-N 3.36Å; D218-G220 WeakPolarHBondContact OD1-CA 3.38Å; D218-G220 PolarHBondContact OD1-N 3.26Å; D218-D224 WeakPolarHBondContact O-CB 3.39Å
219I94.1Very high95.6Very high0 Ų032.6 Ų32.60%017%0.173CC..  trans-95.646.5-17954.3165.4000112F28 I33 D110 I112 M217F28-I219 HydrophobicContact CB-CD1 4.39Å; F28-I219 HydrophobicContact CD2-CD1 3.85Å; F28-I219 HydrophobicContact CD2-CG2 4.44Å; F28-I219 HydrophobicContact CE2-CD1 4.31Å; F28-I219 HydrophobicContact CE2-CG2 3.92Å; F28-I219 HydrophobicContact CG-CD1 4.13Å; I33-I219 HydrophobicContact CB-CD1 4.4Å; I33-I219 HydrophobicContact CD1-CD1 3.39Å; I33-I219 HydrophobicContact CD1-CG1 4.32Å; I33-I219 HydrophobicContact CG1-CD1 3.49Å; I33-I219 VanDerWaalsContact CG1-CD1 3.49Å; I33-I219 HydrophobicContact CG2-CD1 4.02Å; D110-I219 WeakPolarHBondContact O-CG1 3.45Å; D110-I219 PolarHBondContact O-N 2.93Å; I112-I219 HydrophobicContact CD1-CD1 4.3Å; I112-I219 HydrophobicContact CG1-CD1 3.48Å; I112-I219 VanDerWaalsContact CG1-CD1 3.48Å; I112-I219 HydrophobicContact CG1-CG1 4.07Å; M217-I219 HydrophobicContact CB-CG2 4.23Å; M217-I219 HydrophobicContact CG-CG2 3.92Å
220G91.9Very high95.6Very high1 Ų133.5 Ų33.51%0.0118%0.179CC..  trans-76.9-13.8-178.300000116.8R13 L14 D218R13-G220 CarbonylContact C-O 3.5Å; R13-G220 WeakPolarHBondContact CB-O 3.44Å; L14-G220 PolarHBondContact N-O 3.17Å; D218-G220 VanDerWaalsContact C-N 3.28Å; D218-G220 PolarHBondContact O-N 3.36Å; D218-G220 WeakPolarHBondContact OD1-CA 3.38Å; D218-G220 PolarHBondContact OD1-N 3.26Å
221Q94.8Very high95.7Very high65 Ų6535.9 Ų35.930%0.30419%0.19SC..SBendtrans-148.6159.5-17860-177.30.900111.6R13 K223 D224 F225R13-Q221 HydrophobicContact CB-CB 4.3Å; Q221-K223 PolarHBondContact O-N 3.18Å; Q221-D224 VanDerWaalsContact CD-OD2 3.29Å; Q221-D224 HydrophobicContact CG-CB 3.89Å; Q221-D224 WeakPolarHBondContact CG-OD2 3.36Å; Q221-D224 PolarHBondContact NE2-OD2 3.25Å; Q221-D224 PolarHBondContact O-N 3.45Å; Q221-F225 PolarHBondContact O-N 2.88Å
222P97.3Very high95.8Very high14 Ų1433.5 Ų33.59%0.09118%0.178CC..Hα-helixtrans-57.8-40.2-170.7-30.237.1000115.6R13 L14 D224 F225 L226 I307 V323 V325R13-P222 VanDerWaalsContact O-CD 3.28Å; R13-P222 WeakPolarHBondContact O-CD 3.37Å; L14-P222 HydrophobicContact CD1-CG 4.42Å; P222-D224 VanDerWaalsContact C-N 3.29Å; P222-D224 PolarHBondContact O-N 3Å; P222-F225 WeakPolarHBondContact O-CB 3.38Å; P222-F225 PolarHBondContact O-N 2.97Å; P222-L226 PolarHBondContact O-N 3.12Å; P222-I307 HydrophobicContact CB-CD1 4.01Å; P222-V323 HydrophobicContact CB-CG1 3.75Å; P222-V325 HydrophobicContact CB-CG2 3.55Å; P222-V325 HydrophobicContact CG-CG2 3.83Å
223K96.7Very high95.9Very high130 Ų13033.1 Ų33.157%0.56518%0.176SC*.Hα-helixtrans-59.3-45.1176.8-178.1180178.2-179.70111Q221 L226 T227 V323Q221-K223 PolarHBondContact O-N 3.18Å; K223-L226 PolarHBondContact O-N 3.04Å; K223-T227 PolarHBondContact O-N 3.09Å; K223-T227 VanDerWaalsContact O-N 3.08Å; K223-T227 PolarHBondContact O-OG1 2.86Å; K223-T227 VanDerWaalsContact O-OG1 3.13Å; K223-V323 HydrophobicContact CB-CG1 4.49Å
224D95.8Very high96.2Very high28 Ų2831.1 Ų31.115%0.1517%0.166CC..Hα-helixtrans-73.6-35-178.2-67.8-17.4000111.5M217 D218 Q221 P222 L226 T227 G228M217-D224 HydrophobicContact CE-CB 3.35Å; M217-D224 WeakPolarHBondContact CE-OD1 3.25Å; D218-D224 WeakPolarHBondContact O-CB 3.39Å; Q221-D224 VanDerWaalsContact CD-OD2 3.29Å; Q221-D224 HydrophobicContact CG-CB 3.89Å; Q221-D224 WeakPolarHBondContact CG-OD2 3.36Å; Q221-D224 PolarHBondContact NE2-OD2 3.25Å; Q221-D224 PolarHBondContact O-N 3.45Å; P222-D224 VanDerWaalsContact C-N 3.29Å; P222-D224 PolarHBondContact O-N 3Å; D224-L226 PolarHBondContact O-N 3.41Å; D224-T227 PolarHBondContact O-N 3.37Å; D224-G228 PolarHBondContact O-N 3.44Å
225F98.1Very high96.5Very high0 Ų028.9 Ų28.90%014%0.141CC..Hα-helixtrans-56.1-49170.1-174.5-76.2000111.4L14 V26 E27 F28 Q221 P222 G228 M229 T290 I307L14-F225 HydrophobicContact CD1-CB 4.24Å; L14-F225 HydrophobicContact CD1-CD2 4.19Å; V26-F225 HydrophobicContact CG1-CE2 4.18Å; E27-F225 WeakPolarHBondContact O-CZ 3.47Å; F28-F225 HydrophobicContact CB-CE2 4.06Å; F28-F225 HydrophobicContact CB-CZ 4.15Å; F28-F225 HydrophobicContact CD2-CD1 4.33Å; F28-F225 AromaticContact CD2-CD2 3.91Å; F28-F225 HydrophobicContact CD2-CD2 3.91Å; F28-F225 HydrophobicContact CD2-CE1 4.07Å; F28-F225 AromaticContact CD2-CE2 3.64Å; F28-F225 HydrophobicContact CD2-CE2 3.64Å; F28-F225 HydrophobicContact CD2-CG 4.25Å; F28-F225 AromaticContact CD2-CZ 3.73Å; F28-F225 HydrophobicContact CD2-CZ 3.73Å; F28-F225 WeakPolarHBondContact CE2-O 3.42Å; F28-F225 HydrophobicContact CG-CE2 4.35Å; F28-F225 HydrophobicContact CG-CZ 4.38Å; Q221-F225 PolarHBondContact O-N 2.88Å; P222-F225 WeakPolarHBondContact O-CB 3.38Å; P222-F225 PolarHBondContact O-N 2.97Å; F225-G228 PolarHBondContact O-N 2.76Å; F225-M229 WeakPolarHBondContact O-CB 3.33Å; F225-M229 PolarHBondContact O-N 2.86Å; F225-T290 HydrophobicContact CE1-CG2 4.1Å; F225-T290 HydrophobicContact CZ-CG2 4.49Å; F225-I307 HydrophobicContact CB-CD1 4.28Å; F225-I307 HydrophobicContact CD1-CD1 3.69Å; F225-I307 HydrophobicContact CD1-CG1 4.37Å; F225-I307 HydrophobicContact CE1-CD1 4.26Å; F225-I307 HydrophobicContact CG-CD1 4.11Å
226L98.5Very high96.6Very high0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-66.4-38177.9-70.4175.8000112.7P222 K223 D224 M229 C230 I307 V323P222-L226 PolarHBondContact O-N 3.12Å; K223-L226 PolarHBondContact O-N 3.04Å; D224-L226 PolarHBondContact O-N 3.41Å; L226-M229 HydrophobicContact CD2-CE 4.08Å; L226-M229 PolarHBondContact O-N 2.79Å; L226-C230 PolarHBondContact O-N 2.84Å; L226-C230 VanDerWaalsContact O-N 3.12Å; L226-C230 PolarHBondContact O-SG 3.31Å; L226-I307 HydrophobicContact CD1-CG1 4.4Å; L226-I307 HydrophobicContact CD2-CD1 4.41Å; L226-I307 HydrophobicContact CD2-CG1 3.74Å; L226-I307 HydrophobicContact CG-CD1 4.25Å; L226-I307 HydrophobicContact CG-CG1 3.99Å; L226-V323 HydrophobicContact CD1-CG1 4.27Å; L226-V323 HydrophobicContact CD1-CG2 4.49Å
227T97.8Very high96.7Very high46 Ų4634 Ų3428%0.28216%0.161SC..Hα-helixtrans-65.2-48.5175.2-62.60000111M217 K223 D224 M229 C230 M231 R288M217-T227 HydrophobicContact CE-CG2 4.05Å; M217-T227 HydrophobicContact SD-CG2 4.12Å; K223-T227 PolarHBondContact O-N 3.09Å; K223-T227 VanDerWaalsContact O-N 3.08Å; K223-T227 PolarHBondContact O-OG1 2.86Å; K223-T227 VanDerWaalsContact O-OG1 3.13Å; D224-T227 PolarHBondContact O-N 3.37Å; T227-M229 VanDerWaalsContact C-N 3.28Å; T227-M229 PolarHBondContact O-N 2.87Å; T227-C230 WeakPolarHBondContact O-CB 3.39Å; T227-C230 PolarHBondContact O-N 3.41Å; T227-C230 VanDerWaalsContact O-N 3.09Å; T227-M231 HydrophobicContact CG2-SD 4.26Å; T227-M231 WeakPolarHBondContact O-CG 3.45Å; T227-M231 PolarHBondContact O-N 3.07Å; T227-R288 PolarHBondContact OG1-NH2 3.46Å; T227-R288 VanDerWaalsContact OG1-NH2 3.14Å
228G97.8Very high96.7Very high0 Ų038.7 Ų38.70%018%0.182CC..Hα-helixtrans-56.8-42.8174.400000111.6D224 F225 C230 M231 Y232D224-G228 PolarHBondContact O-N 3.44Å; F225-G228 PolarHBondContact O-N 2.76Å; G228-C230 VanDerWaalsContact C-N 3.32Å; G228-C230 PolarHBondContact O-N 2.86Å; G228-M231 PolarHBondContact O-N 2.96Å; G228-Y232 WeakPolarHBondContact O-CB 3.41Å; G228-Y232 PolarHBondContact O-N 3.05Å
229M98.5Very high96.7Very high0 Ų044.2 Ų44.20%021%0.207CC..Hα-helixtrans-57.6-45.7175.8176-159.164.600110.8F28 F225 L226 T227 M231 Y232 L233 N271 T273 C289 T290F28-M229 HydrophobicContact CE2-CB 4.11Å; F28-M229 HydrophobicContact CZ-CB 4.29Å; F28-M229 VanDerWaalsContact CZ-N 3.33Å; F225-M229 WeakPolarHBondContact O-CB 3.33Å; F225-M229 PolarHBondContact O-N 2.86Å; L226-M229 HydrophobicContact CD2-CE 4.08Å; L226-M229 PolarHBondContact O-N 2.79Å; T227-M229 VanDerWaalsContact C-N 3.28Å; T227-M229 PolarHBondContact O-N 2.87Å; M229-M231 VanDerWaalsContact C-N 3.34Å; M229-M231 PolarHBondContact O-N 2.89Å; M229-Y232 PolarHBondContact O-N 3.49Å; M229-L233 HydrophobicContact CG-CD1 4.05Å; M229-L233 HydrophobicContact CG-CG 4.39Å; M229-L233 WeakPolarHBondContact O-CB 3.2Å; M229-L233 VanDerWaalsContact O-CG 3.25Å; M229-L233 WeakPolarHBondContact O-CG 3.48Å; M229-L233 PolarHBondContact O-N 3.4Å; M229-N271 HydrophobicContact CE-CB 4.42Å; M229-N271 WeakPolarHBondContact CE-O 3.26Å; M229-T273 HydrophobicContact CG-CG2 3.7Å; M229-T273 HydrophobicContact SD-CG2 3.74Å; M229-C289 VanDerWaalsContact SD-O 3.38Å; M229-T290 PolarHBondContact SD-OG1 2.89Å
230C98.5Very high96.8Very high22 Ų2245 Ų4515%0.14921%0.213CC..Hα-helixtrans-60.6-43.6177.1-61.90000111.9L226 T227 G228 H234 N271L226-C230 PolarHBondContact O-N 2.84Å; L226-C230 VanDerWaalsContact O-N 3.12Å; L226-C230 PolarHBondContact O-SG 3.31Å; T227-C230 WeakPolarHBondContact O-CB 3.39Å; T227-C230 PolarHBondContact O-N 3.41Å; T227-C230 VanDerWaalsContact O-N 3.09Å; G228-C230 VanDerWaalsContact C-N 3.32Å; G228-C230 PolarHBondContact O-N 2.86Å; C230-H234 WeakPolarHBondContact O-CB 3.42Å; C230-H234 PolarHBondContact O-N 2.85Å; C230-N271 HydrophobicContact CB-CB 4.27Å; C230-N271 VanDerWaalsContact SG-CB 3.57Å
231M97.9Very high97Very high72 Ų7248.3 Ų48.336%0.35524%0.235SC..Hα-helixtrans-66.5-43.6178.8-63.1174102.400111.7F215 M217 T227 G228 M229 H234 S235F215-M231 HydrophobicContact CB-CB 4.03Å; F215-M231 HydrophobicContact CB-CE 4.11Å; F215-M231 HydrophobicContact CD2-CB 3.49Å; F215-M231 VanDerWaalsContact CD2-CB 3.49Å; F215-M231 HydrophobicContact CD2-SD 4.48Å; F215-M231 HydrophobicContact CE2-CB 4.18Å; F215-M231 HydrophobicContact CG-CB 3.84Å; M217-M231 HydrophobicContact SD-SD 4.14Å; T227-M231 HydrophobicContact CG2-SD 4.26Å; T227-M231 WeakPolarHBondContact O-CG 3.45Å; T227-M231 PolarHBondContact O-N 3.07Å; G228-M231 PolarHBondContact O-N 2.96Å; M229-M231 VanDerWaalsContact C-N 3.34Å; M229-M231 PolarHBondContact O-N 2.89Å; M231-H234 WeakPolarHBondContact O-CB 3.19Å; M231-H234 PolarHBondContact O-N 2.9Å; M231-S235 PolarHBondContact O-N 3.35Å
232Y98.2Very high97.1Very high28 Ų2852.1 Ų52.111%0.1125%0.253CS..Hα-helixtrans-60.2-47.6175.2178.9-88.7000111.4F28 C29 H36 I112 F215 G228 M229 H234 S235 L236 R243F28-Y232 HydrophobicContact CE1-CD1 4.48Å; F28-Y232 HydrophobicContact CE1-CD2 4.09Å; F28-Y232 AromaticContact CE1-CG 3.86Å; F28-Y232 HydrophobicContact CE1-CG 3.86Å; C29-Y232 HydrophobicContact CB-CD1 3.65Å; C29-Y232 HydrophobicContact CB-CE1 3.63Å; C29-Y232 WeakPolarHBondContact SG-CD1 3.36Å; H36-Y232 AromaticContact CE1-CE2 3.84Å; H36-Y232 AromaticContact CE1-CZ 3.81Å; H36-Y232 AromaticContact ND1-CE2 3.84Å; I112-Y232 HydrophobicContact CG2-CD2 4.09Å; F215-Y232 AromaticContact CZ-CD2 3.94Å; F215-Y232 HydrophobicContact CZ-CD2 3.94Å; F215-Y232 HydrophobicContact CZ-CG 4.42Å; G228-Y232 WeakPolarHBondContact O-CB 3.41Å; G228-Y232 PolarHBondContact O-N 3.05Å; M229-Y232 PolarHBondContact O-N 3.49Å; Y232-H234 VanDerWaalsContact C-N 3.27Å; Y232-H234 PolarHBondContact O-N 3.09Å; Y232-S235 PolarHBondContact O-N 2.83Å; Y232-L236 HydrophobicContact CE1-CD2 4.24Å; Y232-L236 WeakPolarHBondContact O-CB 3.44Å; Y232-L236 PolarHBondContact O-N 2.72Å; Y232-R243 PolarHBondContact OH-NH1 3.32Å
233L98.3Very high97.1Very high0 Ų056.3 Ų56.30%027%0.267CS..Hα-helixtrans-63.9-33.6177.7-72179.3000112.2M229 L236 R237 L244 N253 L255 N271 T273M229-L233 HydrophobicContact CG-CD1 4.05Å; M229-L233 HydrophobicContact CG-CG 4.39Å; M229-L233 WeakPolarHBondContact O-CB 3.2Å; M229-L233 VanDerWaalsContact O-CG 3.25Å; M229-L233 WeakPolarHBondContact O-CG 3.48Å; M229-L233 PolarHBondContact O-N 3.4Å; L233-L236 HydrophobicContact CD2-CD2 4.44Å; L233-L236 PolarHBondContact O-N 3.42Å; L233-R237 PolarHBondContact O-N 3.16Å; L233-R237 VanDerWaalsContact O-N 3.07Å; L233-L244 HydrophobicContact CD2-CD2 4.02Å; L233-N253 HydrophobicContact CB-CB 3.77Å; L233-N253 HydrophobicContact CD1-CB 4.46Å; L233-L255 HydrophobicContact CD2-CB 3.67Å; L233-L255 HydrophobicContact CD2-CD2 4.39Å; L233-N271 HydrophobicContact CD1-CB 4.29Å; L233-T273 HydrophobicContact CD1-CG2 4.02Å; L233-T273 HydrophobicContact CD2-CG2 4.15Å; L233-T273 HydrophobicContact CG-CG2 4.35Å
234H97.8Very high97.1Very high100 Ų10050.9 Ų50.946%0.46324%0.244SC..Hα-helixtrans-66.3-47.4172-177.885.4000111.9C230 M231 Y232 L236 R237 Q238C230-H234 WeakPolarHBondContact O-CB 3.42Å; C230-H234 PolarHBondContact O-N 2.85Å; M231-H234 WeakPolarHBondContact O-CB 3.19Å; M231-H234 PolarHBondContact O-N 2.9Å; Y232-H234 VanDerWaalsContact C-N 3.27Å; Y232-H234 PolarHBondContact O-N 3.09Å; H234-L236 VanDerWaalsContact C-N 3.26Å; H234-L236 PolarHBondContact O-N 3.24Å; H234-R237 WeakPolarHBondContact O-CB 3.41Å; H234-R237 PolarHBondContact O-N 2.85Å; H234-Q238 PolarHBondContact O-N 3.42Å
235S96.4Very high97.2Very high12 Ų1256.3 Ų56.38%0.08426%0.262CS..Hα-helixtrans-58.4-41.7173.5172.10000111D114 M231 Y232 R237 Q238 H239D114-S235 PolarHBondContact OD1-OG 2.71Å; M231-S235 PolarHBondContact O-N 3.35Å; Y232-S235 PolarHBondContact O-N 2.83Å; S235-R237 VanDerWaalsContact C-N 3.27Å; S235-R237 PolarHBondContact O-N 3.4Å; S235-Q238 PolarHBondContact O-N 3.37Å; S235-H239 PolarHBondContact O-N 2.98Å; S235-H239 PolarHBondContact O-ND1 2.77Å; S235-H239 PolarHBondContact OG-CE1 2.83Å; S235-H239 PolarHBondContact OG-ND1 2.74Å
236L96.3Very high97.1Very high9 Ų961.6 Ų61.65%0.04730%0.295CS..Hα-helixtrans-60.4-37.3178.4-169.764.6000112.1Y232 L233 H234 Q238 H239 A240 R243 L244 L255Y232-L236 HydrophobicContact CE1-CD2 4.24Å; Y232-L236 WeakPolarHBondContact O-CB 3.44Å; Y232-L236 PolarHBondContact O-N 2.72Å; L233-L236 HydrophobicContact CD2-CD2 4.44Å; L233-L236 PolarHBondContact O-N 3.42Å; H234-L236 VanDerWaalsContact C-N 3.26Å; H234-L236 PolarHBondContact O-N 3.24Å; L236-Q238 PolarHBondContact O-N 3.17Å; L236-H239 PolarHBondContact O-N 3.32Å; L236-A240 HydrophobicContact CD1-CB 3.8Å; L236-A240 CarbonylContact O-C 3.6Å; L236-A240 WeakPolarHBondContact O-CA 3.34Å; L236-A240 PolarHBondContact O-N 2.9Å; L236-R243 HydrophobicContact CD1-CB 4.33Å; L236-R243 VanDerWaalsContact CD1-NH1 3.25Å; L236-R243 HydrophobicContact CD2-CB 4.11Å; L236-R243 HydrophobicContact CG-CB 4.39Å; L236-L244 HydrophobicContact CD2-CD2 3.72Å; L236-L244 HydrophobicContact CD2-CG 4.29Å; L236-L244 HydrophobicContact CG-CD2 4.27Å; L236-L244 HydrophobicContact CG-CG 4.4Å; L236-L255 HydrophobicContact CD2-CD1 4.2Å
237R96.9Very high97Very high142 Ų14263.6 Ų63.654%0.53632%0.315SS..Hα-helixtrans-60.2-34.9174.2-165.7-170.8-169.1172.2-1.4112.6L233 H234 S235 P241 L244 N253L233-R237 PolarHBondContact O-N 3.16Å; L233-R237 VanDerWaalsContact O-N 3.07Å; H234-R237 WeakPolarHBondContact O-CB 3.41Å; H234-R237 PolarHBondContact O-N 2.85Å; S235-R237 VanDerWaalsContact C-N 3.27Å; S235-R237 PolarHBondContact O-N 3.4Å; R237-P241 WeakPolarHBondContact O-CB 3.26Å; R237-L244 HydrophobicContact CB-CD1 3.7Å; R237-L244 HydrophobicContact CG-CD1 4Å; R237-N253 WeakPolarHBondContact CD-OD1 3.27Å
238Q95.4Very high96.9Very high121 Ų12167.7 Ų67.757%0.56534%0.343SS*.Hα-helixtrans-79.8-37.8-179-55-57.1-2000111.9H234 S235 L236H234-Q238 PolarHBondContact O-N 3.42Å; S235-Q238 PolarHBondContact O-N 3.37Å; L236-Q238 PolarHBondContact O-N 3.17Å
239H93.6Very high96.8Very high139 Ų13969.1 Ų69.164%0.64436%0.357SS*.Hα-helixtrans-102.2-27.7-169.1-60.6108.2000114.9S235 L236S235-H239 PolarHBondContact O-N 2.98Å; S235-H239 PolarHBondContact O-ND1 2.77Å; S235-H239 PolarHBondContact OG-CE1 2.83Å; S235-H239 PolarHBondContact OG-ND1 2.74Å; L236-H239 PolarHBondContact O-N 3.32Å
240A95.7Very high96.8Very high15 Ų1570.6 Ų70.612%0.12436%0.364CS..  trans-152.460.1-178.400000111.1L236 E242 R243L236-A240 HydrophobicContact CD1-CB 3.8Å; L236-A240 CarbonylContact O-C 3.6Å; L236-A240 WeakPolarHBondContact O-CA 3.34Å; L236-A240 PolarHBondContact O-N 2.9Å; A240-E242 VanDerWaalsContact CA-OE2 3.24Å; A240-E242 WeakPolarHBondContact CA-OE2 3.38Å; A240-E242 WeakPolarHBondContact CB-OE1 3.28Å; A240-E242 PolarHBondContact O-N 2.77Å; A240-E242 VanDerWaalsContact O-N 3.14Å; A240-R243 HydrophobicContact CB-CG 4.21Å; A240-R243 WeakPolarHBondContact O-CB 3.39Å; A240-R243 PolarHBondContact O-N 3.36Å
241P96.9Very high96.8Very high71 Ų7173.8 Ų73.846%0.46138%0.378SS..G310 helixtrans-58.4-26-17623.4-33.7000113.4R237 R243 L244R237-P241 WeakPolarHBondContact O-CB 3.26Å; P241-R243 PolarHBondContact O-N 3.29Å; P241-L244 WeakPolarHBondContact O-CB 3.35Å; P241-L244 PolarHBondContact O-N 3.15Å
242E96.8Very high96.8Very high145 Ų14572.8 Ų72.868%0.67839%0.387SS*.G310 helixtrans-63.2-19.917774.3-70.2166.300113.6A240 L244A240-E242 VanDerWaalsContact CA-OE2 3.24Å; A240-E242 WeakPolarHBondContact CA-OE2 3.38Å; A240-E242 WeakPolarHBondContact CB-OE1 3.28Å; A240-E242 PolarHBondContact O-N 2.77Å; A240-E242 VanDerWaalsContact O-N 3.14Å; E242-L244 VanDerWaalsContact C-N 3.3Å
243R96.8Very high96.8Very high102 Ų10272 Ų7239%0.38538%0.384SS..G310 helixtrans-77.9-16.2173.7-65.9-177.257.2-148.1-3.7112.8Y232 L236 A240 P241 L255Y232-R243 PolarHBondContact OH-NH1 3.32Å; L236-R243 HydrophobicContact CD1-CB 4.33Å; L236-R243 VanDerWaalsContact CD1-NH1 3.25Å; L236-R243 HydrophobicContact CD2-CB 4.11Å; L236-R243 HydrophobicContact CG-CB 4.39Å; A240-R243 HydrophobicContact CB-CG 4.21Å; A240-R243 WeakPolarHBondContact O-CB 3.39Å; A240-R243 PolarHBondContact O-N 3.36Å; P241-R243 PolarHBondContact O-N 3.29Å; R243-L255 VanDerWaalsContact O-CD1 3.28Å; R243-L255 WeakPolarHBondContact O-CD1 3.33Å
244L98.1Very high96.8Very high16 Ų1672 Ų728%0.08438%0.384CS..SBendtrans-87.1135.8178.9-62.2176.7000110.4L233 L236 R237 P241 E242 N253 V254 L255L233-L244 HydrophobicContact CD2-CD2 4.02Å; L236-L244 HydrophobicContact CD2-CD2 3.72Å; L236-L244 HydrophobicContact CD2-CG 4.29Å; L236-L244 HydrophobicContact CG-CD2 4.27Å; L236-L244 HydrophobicContact CG-CG 4.4Å; R237-L244 HydrophobicContact CB-CD1 3.7Å; R237-L244 HydrophobicContact CG-CD1 4Å; P241-L244 WeakPolarHBondContact O-CB 3.35Å; P241-L244 PolarHBondContact O-N 3.15Å; E242-L244 VanDerWaalsContact C-N 3.3Å; L244-N253 HydrophobicContact CD1-CB 4.24Å; L244-N253 HydrophobicContact CD2-CB 4.48Å; L244-V254 CarbonylContact C-O 3.57Å; L244-V254 WeakPolarHBondContact CA-O 3.35Å; L244-L255 HydrophobicContact CD2-CB 4.49Å
245R97.8Very high96.9Very high142 Ų14267.7 Ų67.754%0.53637%0.365SS..  trans-71.8133.1175.3-172.766.1172.3-161.9-2.4109.5F250 V254 V256R245-F250 HydrophobicContact CB-CD1 4.21Å; R245-F250 HydrophobicContact CB-CE1 4.4Å; R245-F250 HydrophobicContact CB-CG 4.48Å; R245-F250 HydrophobicContact CG-CD1 3.69Å; R245-F250 HydrophobicContact CG-CD2 3.82Å; R245-F250 HydrophobicContact CG-CE1 3.64Å; R245-F250 HydrophobicContact CG-CE2 3.78Å; R245-F250 HydrophobicContact CG-CG 3.77Å; R245-F250 HydrophobicContact CG-CZ 3.69Å; R245-V254 PolarHBondContact N-O 3.43Å; R245-V256 HydrophobicContact CB-CB 4.38Å; R245-V256 HydrophobicContact CB-CG2 3.85Å; R245-V256 HydrophobicContact CG-CG2 4.11Å
246T96.3Very high97Very high112 Ų11268.5 Ų68.569%0.68737%0.369SS*.  trans-128.4166.6175.860.50000110.3
247G95.6Very high97.1Very high42 Ų4269.7 Ų69.743%0.43338%0.376SS..SBendtrans117.5-177.5178.400000113.4G249 F250G247-G249 PolarHBondContact O-N 3.3Å; G247-F250 PolarHBondContact O-N 3.05Å; G247-F250 VanDerWaalsContact O-N 3.12Å
248P95.3Very high97.1Very high132 Ų13269 Ų6986%0.85739%0.389SS*.THydrogen-bonded Turntrans-54.6136.2180-24.434.3000111.8F250P248-F250 VanDerWaalsContact C-N 3.26Å; P248-F250 WeakPolarHBondContact O-CD2 3.24Å; P248-F250 PolarHBondContact O-N 3.13Å
249G96.8Very high97.3Very high29 Ų2967.2 Ų67.230%0.29939%0.387SS..THydrogen-bonded Turntrans81.1-8.9-178.700000115.4G247 C266 T267 I268G247-G249 PolarHBondContact O-N 3.3Å; G249-C266 WeakPolarHBondContact CA-O 3.36Å; G249-T267 CarbonylContact O-C 3.55Å; G249-T267 WeakPolarHBondContact O-CA 3.48Å; G249-I268 PolarHBondContact O-N 3.25Å
250F98.3Very high97.5Very high32 Ų3261.4 Ų61.414%0.1436%0.363CS..BIsolated β-bridgetrans-106.6123.7176.3-63.3-81.4000111.2R245 G247 P248 V254 V256 I262 I268R245-F250 HydrophobicContact CB-CD1 4.21Å; R245-F250 HydrophobicContact CB-CE1 4.4Å; R245-F250 HydrophobicContact CB-CG 4.48Å; R245-F250 HydrophobicContact CG-CD1 3.69Å; R245-F250 HydrophobicContact CG-CD2 3.82Å; R245-F250 HydrophobicContact CG-CE1 3.64Å; R245-F250 HydrophobicContact CG-CE2 3.78Å; R245-F250 HydrophobicContact CG-CG 3.77Å; R245-F250 HydrophobicContact CG-CZ 3.69Å; G247-F250 PolarHBondContact O-N 3.05Å; G247-F250 VanDerWaalsContact O-N 3.12Å; P248-F250 VanDerWaalsContact C-N 3.26Å; P248-F250 WeakPolarHBondContact O-CD2 3.24Å; P248-F250 PolarHBondContact O-N 3.13Å; F250-V254 HydrophobicContact CD1-CB 4.27Å; F250-V254 HydrophobicContact CD1-CG1 3.96Å; F250-V254 HydrophobicContact CD1-CG2 4.42Å; F250-V254 HydrophobicContact CE1-CG1 4.38Å; F250-V256 HydrophobicContact CE1-CG2 3.99Å; F250-I262 HydrophobicContact CZ-CG1 4.31Å; F250-I262 HydrophobicContact CZ-CG2 4.28Å; F250-I268 CarbonylContact C-O 3.54Å; F250-I268 WeakPolarHBondContact CA-O 3.49Å; F250-I268 HydrophobicContact CD1-CB 3.99Å; F250-I268 HydrophobicContact CD1-CG2 4.4Å; F250-I268 HydrophobicContact CE1-CB 4.13Å; F250-I268 HydrophobicContact CE1-CD1 3.86Å; F250-I268 HydrophobicContact CE1-CG1 4.46Å; F250-I268 HydrophobicContact CE1-CG2 4.48Å; F250-I268 HydrophobicContact CZ-CD1 4.44Å
251L97.8Very high97.6Very high88 Ų8867 Ų6746%0.46139%0.387SS..  trans-116.9129-175.6-58.6179.8000111V254 T267 I268 G269 P270L251-V254 WeakPolarHBondContact O-CG2 3.32Å; L251-T267 HydrophobicContact CD1-CG2 3.48Å; L251-T267 VanDerWaalsContact CD1-CG2 3.48Å; L251-T267 HydrophobicContact CG-CG2 4.15Å; L251-I268 PolarHBondContact N-O 2.7Å; L251-G269 WeakPolarHBondContact O-CA 3.44Å; L251-P270 VanDerWaalsContact O-CA 3.25Å; L251-P270 WeakPolarHBondContact O-CA 3.42Å
252G97.3Very high97.7Very high51 Ų5166.2 Ų66.253%0.52638%0.378SS..SBendtrans63.1-138.517600000113.2
253N98.4Very high97.8Very high12 Ų1260.4 Ų60.46%0.06436%0.357CS..SBendtrans-88.3111.7-177.4-48.6-38.3000110.3L233 R237 L244 N271 V272L233-N253 HydrophobicContact CB-CB 3.77Å; L233-N253 HydrophobicContact CD1-CB 4.46Å; R237-N253 WeakPolarHBondContact CD-OD1 3.27Å; L244-N253 HydrophobicContact CD1-CB 4.24Å; L244-N253 HydrophobicContact CD2-CB 4.48Å; N253-N271 PolarHBondContact ND2-OD1 3.3Å; N253-N271 WeakPolarHBondContact O-CA 3.29Å; N253-N271 PolarHBondContact O-N 3.14Å; N253-V272 PolarHBondContact O-N 3.08Å; N253-V272 VanDerWaalsContact O-N 3.17Å
254V98.8Very high97.9Very high0 Ų062.2 Ų62.20%037%0.37CS..EExtended strand (participates in β ladder)trans-129.9127.5176.1-173.60000109.4L244 R245 F250 L251 V256 I268 V272L244-V254 CarbonylContact C-O 3.57Å; L244-V254 WeakPolarHBondContact CA-O 3.35Å; R245-V254 PolarHBondContact N-O 3.43Å; F250-V254 HydrophobicContact CD1-CB 4.27Å; F250-V254 HydrophobicContact CD1-CG1 3.96Å; F250-V254 HydrophobicContact CD1-CG2 4.42Å; F250-V254 HydrophobicContact CE1-CG1 4.38Å; L251-V254 WeakPolarHBondContact O-CG2 3.32Å; V254-V256 HydrophobicContact CG1-CG2 3.73Å; V254-I268 HydrophobicContact CG1-CG2 3.66Å; V254-I268 HydrophobicContact CG2-CG2 4.31Å; V254-I268 WeakPolarHBondContact CG2-O 3.22Å; V254-V272 WeakPolarHBondContact CA-O 3.17Å; V254-V272 HydrophobicContact CG1-CB 4.24Å
255L98.8Very high97.8Very high10 Ų1068 Ų685%0.05240%0.401CS..EExtended strand (participates in β ladder)trans-108.9122.6173-178.667000108.7C29 N30 L233 L236 R243 L244 V272 T273 I274C29-L255 HydrophobicContact CB-CD2 3.92Å; C29-L255 WeakPolarHBondContact O-CD2 3.19Å; N30-L255 HydrophobicContact CB-CD2 4.46Å; L233-L255 HydrophobicContact CD2-CB 3.67Å; L233-L255 HydrophobicContact CD2-CD2 4.39Å; L236-L255 HydrophobicContact CD2-CD1 4.2Å; R243-L255 VanDerWaalsContact O-CD1 3.28Å; R243-L255 WeakPolarHBondContact O-CD1 3.33Å; L244-L255 HydrophobicContact CD2-CB 4.49Å; L255-V272 PolarHBondContact N-O 3Å; L255-T273 HydrophobicContact CB-CG2 4.26Å; L255-T273 HydrophobicContact CD2-CG2 4.49Å; L255-T273 CarbonylContact O-C 3.58Å; L255-T273 WeakPolarHBondContact O-CA 3.33Å; L255-I274 PolarHBondContact O-N 3.34Å
256V98.6Very high97.9Very high28 Ų2861.8 Ų61.817%0.1738%0.379CS..EExtended strand (participates in β ladder)trans-124127.2-179.5-174.90000108.2R245 F250 V254 A260 I274R245-V256 HydrophobicContact CB-CB 4.38Å; R245-V256 HydrophobicContact CB-CG2 3.85Å; R245-V256 HydrophobicContact CG-CG2 4.11Å; F250-V256 HydrophobicContact CE1-CG2 3.99Å; V254-V256 HydrophobicContact CG1-CG2 3.73Å; V256-A260 HydrophobicContact CG1-CB 3.85Å; V256-I274 HydrophobicContact CB-CB 4.49Å; V256-I274 HydrophobicContact CG1-CB 4.19Å; V256-I274 HydrophobicContact CG1-CG2 4.31Å; V256-I274 HydrophobicContact CG2-CB 4.36Å; V256-I274 HydrophobicContact CG2-CG1 4.35Å
257D98.6Very high98Very high35 Ų3558.6 Ų58.619%0.18736%0.36CS..  trans-63.8139.5171.5-171.6-90.2000110.4N30 T259 A260 I274 A276N30-D257 PolarHBondContact ND2-N 3.01Å; D257-T259 PolarHBondContact O-N 2.75Å; D257-T259 WeakPolarHBondContact OD1-CB 3.47Å; D257-T259 PolarHBondContact OD1-N 2.88Å; D257-T259 PolarHBondContact OD1-OG1 2.89Å; D257-A260 WeakPolarHBondContact O-CB 3.08Å; D257-A260 PolarHBondContact O-N 2.85Å; D257-I274 PolarHBondContact N-O 3.24Å; D257-A276 HydrophobicContact CB-CB 4.34Å; D257-A276 VanDerWaalsContact CG-CA 3.49Å; D257-A276 WeakPolarHBondContact OD1-CA 3.12Å
258P97.9Very high98.1Very high127 Ų12756.7 Ų56.783%0.82534%0.339SS*.THydrogen-bonded Turntrans-58-23.2-178.9-26.535.6000115.1
259T98.5Very high98.3Very high83 Ų8350.7 Ų50.751%0.50930%0.301SS..THydrogen-bonded Turntrans-87.7-7.1-179.864.90000113.6D257 A276 G277D257-T259 PolarHBondContact O-N 2.75Å; D257-T259 WeakPolarHBondContact OD1-CB 3.47Å; D257-T259 PolarHBondContact OD1-N 2.88Å; D257-T259 PolarHBondContact OD1-OG1 2.89Å; T259-A276 WeakPolarHBondContact OG1-CA 3.38Å; T259-G277 PolarHBondContact OG1-N 3.13Å
260A98.6Very high98.4Very high18 Ų1851.7 Ų51.715%0.14930%0.303CS..  trans-73.5147.317800000111.7V256 D257 I274 V278V256-A260 HydrophobicContact CG1-CB 3.85Å; D257-A260 WeakPolarHBondContact O-CB 3.08Å; D257-A260 PolarHBondContact O-N 2.85Å; A260-I274 HydrophobicContact CB-CG2 3.68Å; A260-V278 CarbonylContact C-O 3.44Å; A260-V278 VanDerWaalsContact CA-O 3.27Å; A260-V278 WeakPolarHBondContact CA-O 3.38Å; A260-V278 HydrophobicContact CB-CB 4.43Å
261Q98.6Very high98.4Very high132 Ų13251.9 Ų51.962%0.61731%0.305SS*.EExtended strand (participates in β ladder)trans-113.3126.7178.5-61.7177.634.400109.1V278 V280Q261-V278 PolarHBondContact N-O 3.02Å; Q261-V280 PolarHBondContact O-N 3.48Å
262I98.6Very high98.4Very high54 Ų5447.7 Ų47.728%0.27728%0.283SS..EExtended strand (participates in β ladder)trans-119.7122.7-178.7-50.6-60.4000108.6F250 C266 I268 I274 V280F250-I262 HydrophobicContact CZ-CG1 4.31Å; F250-I262 HydrophobicContact CZ-CG2 4.28Å; I262-C266 HydrophobicContact CG2-CB 4.05Å; I262-I268 HydrophobicContact CD1-CD1 3.88Å; I262-I268 HydrophobicContact CG1-CD1 4.35Å; I262-I268 HydrophobicContact CG2-CD1 3.64Å; I262-I274 HydrophobicContact CD1-CG2 4.33Å; I262-V280 HydrophobicContact CD1-CB 3.79Å; I262-V280 HydrophobicContact CD1-CG2 3.66Å
263G98.2Very high98.5Very high23 Ų2345.2 Ų45.224%0.23726%0.258CS..  trans-71.5177.6177.600000113.6C266 V280 D282G263-C266 PolarHBondContact O-SG 3.03Å; G263-C266 VanDerWaalsContact O-SG 3.36Å; G263-V280 PolarHBondContact N-O 2.71Å; G263-D282 VanDerWaalsContact CA-OD1 3.22Å; G263-D282 WeakPolarHBondContact CA-OD1 3.44Å
264E98.1Very high98.5Very high140 Ų14044.7 Ų44.765%0.65426%0.255SS*.THydrogen-bonded Turntrans-74.4155.6-177.8-61.5-170.6173.100112C266 D282 G283E264-C266 PolarHBondContact O-N 3.35Å; E264-D282 PolarHBondContact N-OD1 2.85Å; E264-D282 CarbonylContact O-C 3.5Å; E264-D282 VanDerWaalsContact O-CA 3.32Å; E264-D282 WeakPolarHBondContact O-CA 3.48Å; E264-G283 PolarHBondContact O-N 2.98Å
265N97.9Very high98.5Very high139 Ų13944.8 Ų44.874%0.74326%0.256SS*.THydrogen-bonded Turntrans57.419.1174.1-55-57000115.3
266C98.6Very high98.5Very high10 Ų1045.8 Ų45.87%0.06827%0.266CS..  trans-70150.4174.4-69.80000112G249 I262 G263 E264 I268 E281 V284G249-C266 WeakPolarHBondContact CA-O 3.36Å; I262-C266 HydrophobicContact CG2-CB 4.05Å; G263-C266 PolarHBondContact O-SG 3.03Å; G263-C266 VanDerWaalsContact O-SG 3.36Å; E264-C266 PolarHBondContact O-N 3.35Å; C266-I268 HydrophobicContact CB-CD1 4.35Å; C266-I268 HydrophobicContact CB-CG1 4.22Å; C266-E281 PolarHBondContact SG-O 2.73Å; C266-V284 CarbonylContact C-O 3.56Å; C266-V284 VanDerWaalsContact CA-O 3.29Å; C266-V284 WeakPolarHBondContact CA-O 3.09Å
267T98.7Very high98.5Very high46 Ų4646.3 Ų46.328%0.28228%0.277SS..EExtended strand (participates in β ladder)trans-124.4103.4167.5-570000109.6G249 L251 V284 R285 I286G249-T267 CarbonylContact O-C 3.55Å; G249-T267 WeakPolarHBondContact O-CA 3.48Å; L251-T267 HydrophobicContact CD1-CG2 3.48Å; L251-T267 VanDerWaalsContact CD1-CG2 3.48Å; L251-T267 HydrophobicContact CG-CG2 4.15Å; T267-V284 PolarHBondContact N-O 3.04Å; T267-R285 CarbonylContact O-C 3.52Å; T267-R285 VanDerWaalsContact O-CA 3.26Å; T267-R285 WeakPolarHBondContact O-CA 3.32Å; T267-I286 PolarHBondContact O-N 3.41Å
268I98.8Very high98.5Very high1 Ų144.6 Ų44.61%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-113.3120.3-174.7-55.9179.7000108.8G249 F250 L251 V254 I262 C266 V272 V280G249-I268 PolarHBondContact O-N 3.25Å; F250-I268 CarbonylContact C-O 3.54Å; F250-I268 WeakPolarHBondContact CA-O 3.49Å; F250-I268 HydrophobicContact CD1-CB 3.99Å; F250-I268 HydrophobicContact CD1-CG2 4.4Å; F250-I268 HydrophobicContact CE1-CB 4.13Å; F250-I268 HydrophobicContact CE1-CD1 3.86Å; F250-I268 HydrophobicContact CE1-CG1 4.46Å; F250-I268 HydrophobicContact CE1-CG2 4.48Å; F250-I268 HydrophobicContact CZ-CD1 4.44Å; L251-I268 PolarHBondContact N-O 2.7Å; V254-I268 HydrophobicContact CG1-CG2 3.66Å; V254-I268 HydrophobicContact CG2-CG2 4.31Å; V254-I268 WeakPolarHBondContact CG2-O 3.22Å; I262-I268 HydrophobicContact CD1-CD1 3.88Å; I262-I268 HydrophobicContact CG1-CD1 4.35Å; I262-I268 HydrophobicContact CG2-CD1 3.64Å; C266-I268 HydrophobicContact CB-CD1 4.35Å; C266-I268 HydrophobicContact CB-CG1 4.22Å; I268-V272 HydrophobicContact CG2-CB 3.84Å; I268-V272 HydrophobicContact CG2-CG1 3.65Å; I268-V272 HydrophobicContact CG2-CG2 4.22Å; I268-V280 HydrophobicContact CD1-CG1 4.49Å
269G98.2Very high98.6Very high6 Ų640 Ų406%0.06224%0.237CC..  trans115175.117900000114.3L251 I286L251-G269 WeakPolarHBondContact O-CA 3.44Å; G269-I286 PolarHBondContact N-O 3.31Å
270P98.4Very high98.6Very high50 Ų5036.1 Ų36.133%0.32521%0.213SC..SBendcis-72.8158.7-2.730.2-37.4000114.5L251 K287 R288L251-P270 VanDerWaalsContact O-CA 3.25Å; L251-P270 WeakPolarHBondContact O-CA 3.42Å; P270-K287 HydrophobicContact CG-CG 4.36Å; P270-R288 PolarHBondContact O-N 3.26Å
271N98.6Very high98.6Very high36 Ų3637 Ų3719%0.19321%0.214CC..SBendtrans60.966.5173.5-54.6-47.5000113.2M229 C230 L233 N253 R288 C289M229-N271 HydrophobicContact CE-CB 4.42Å; M229-N271 WeakPolarHBondContact CE-O 3.26Å; C230-N271 HydrophobicContact CB-CB 4.27Å; C230-N271 VanDerWaalsContact SG-CB 3.57Å; L233-N271 HydrophobicContact CD1-CB 4.29Å; N253-N271 PolarHBondContact ND2-OD1 3.3Å; N253-N271 WeakPolarHBondContact O-CA 3.29Å; N253-N271 PolarHBondContact O-N 3.14Å; N271-R288 CarbonylContact O-C 3.56Å; N271-R288 WeakPolarHBondContact O-CA 3.38Å; N271-R288 PolarHBondContact O-N 2.89Å; N271-C289 PolarHBondContact O-N 3.14Å
272V98.9Very high98.6Very high0 Ų034.2 Ų34.20%020%0.204CC..EExtended strand (participates in β ladder)trans-124.1140.9179.1174.60000110.6N253 V254 L255 I268 I274 I286 C289N253-V272 PolarHBondContact O-N 3.08Å; N253-V272 VanDerWaalsContact O-N 3.17Å; V254-V272 WeakPolarHBondContact CA-O 3.17Å; V254-V272 HydrophobicContact CG1-CB 4.24Å; L255-V272 PolarHBondContact N-O 3Å; I268-V272 HydrophobicContact CG2-CB 3.84Å; I268-V272 HydrophobicContact CG2-CG1 3.65Å; I268-V272 HydrophobicContact CG2-CG2 4.22Å; V272-I274 HydrophobicContact CG1-CD1 3.64Å; V272-I274 HydrophobicContact CG1-CG1 3.95Å; V272-I286 HydrophobicContact CB-CG2 4.47Å; V272-I286 HydrophobicContact CG1-CB 4.47Å; V272-I286 HydrophobicContact CG1-CG2 3.79Å; V272-I286 HydrophobicContact CG2-CB 4.3Å; V272-I286 HydrophobicContact CG2-CG2 3.75Å; V272-I286 WeakPolarHBondContact CG2-O 3.1Å; V272-C289 WeakPolarHBondContact CA-O 3.03Å
273T98.8Very high98.6Very high0 Ų032.3 Ų32.30%020%0.198CC..EExtended strand (participates in β ladder)trans-117.5128.7167.963.40000109.7C29 M229 L233 L255 C289 T290 V291C29-T273 HydrophobicContact CB-CG2 4.12Å; M229-T273 HydrophobicContact CG-CG2 3.7Å; M229-T273 HydrophobicContact SD-CG2 3.74Å; L233-T273 HydrophobicContact CD1-CG2 4.02Å; L233-T273 HydrophobicContact CD2-CG2 4.15Å; L233-T273 HydrophobicContact CG-CG2 4.35Å; L255-T273 HydrophobicContact CB-CG2 4.26Å; L255-T273 HydrophobicContact CD2-CG2 4.49Å; L255-T273 CarbonylContact O-C 3.58Å; L255-T273 WeakPolarHBondContact O-CA 3.33Å; T273-C289 PolarHBondContact N-O 3.01Å; T273-T290 WeakPolarHBondContact OG1-CA 3.47Å; T273-T290 WeakPolarHBondContact OG1-CB 3.23Å; T273-T290 WeakPolarHBondContact OG1-CG2 3.25Å; T273-T290 PolarHBondContact OG1-OG1 2.77Å; T273-T290 VanDerWaalsContact OG1-OG1 3.07Å; T273-V291 PolarHBondContact O-N 3.3Å
274I98.9Very high98.6Very high0 Ų031.2 Ų31.20%019%0.186CC..EExtended strand (participates in β ladder)trans-117.2114.4177.1-57.3-60000107.9N30 L255 V256 D257 A260 I262 V272 V278 V280 I286 V291N30-I274 PolarHBondContact ND2-O 2.87Å; N30-I274 PolarHBondContact OD1-O 3.44Å; L255-I274 PolarHBondContact O-N 3.34Å; V256-I274 HydrophobicContact CB-CB 4.49Å; V256-I274 HydrophobicContact CG1-CB 4.19Å; V256-I274 HydrophobicContact CG1-CG2 4.31Å; V256-I274 HydrophobicContact CG2-CB 4.36Å; V256-I274 HydrophobicContact CG2-CG1 4.35Å; D257-I274 PolarHBondContact N-O 3.24Å; A260-I274 HydrophobicContact CB-CG2 3.68Å; I262-I274 HydrophobicContact CD1-CG2 4.33Å; V272-I274 HydrophobicContact CG1-CD1 3.64Å; V272-I274 HydrophobicContact CG1-CG1 3.95Å; I274-V278 HydrophobicContact CG2-CB 3.66Å; I274-V278 HydrophobicContact CG2-CG1 3.62Å; I274-V278 HydrophobicContact CG2-CG2 4.35Å; I274-V280 HydrophobicContact CD1-CG2 4.4Å; I274-I286 HydrophobicContact CD1-CD1 4.11Å; I274-V291 HydrophobicContact CD1-CB 3.98Å; I274-V291 HydrophobicContact CD1-CG2 3.78Å
275G98.7Very high98.7Very high3 Ų331.6 Ų31.63%0.03118%0.182CC..  trans-75.4175.4-176.200000114.7N30 V278 V291N30-G275 WeakPolarHBondContact OD1-CA 2.96Å; G275-V278 WeakPolarHBondContact O-CB 3.3Å; G275-V278 VanDerWaalsContact O-CG2 3.28Å; G275-V278 WeakPolarHBondContact O-CG2 3.32Å; G275-V278 PolarHBondContact O-N 3.25Å; G275-V291 PolarHBondContact N-O 3.02Å
276A98.6Very high98.7Very high30 Ų3025.1 Ų25.125%0.24815%0.147CC..THydrogen-bonded Turntrans-60.4138.8-178.700000112.6D257 T259 V278 K293 G294D257-A276 HydrophobicContact CB-CB 4.34Å; D257-A276 VanDerWaalsContact CG-CA 3.49Å; D257-A276 WeakPolarHBondContact OD1-CA 3.12Å; T259-A276 WeakPolarHBondContact OG1-CA 3.38Å; A276-V278 PolarHBondContact O-N 3.26Å; A276-V278 VanDerWaalsContact O-N 3.09Å; A276-K293 HydrophobicContact CB-CG 4.24Å; A276-K293 CarbonylContact O-C 3.57Å; A276-K293 VanDerWaalsContact O-CA 3.26Å; A276-K293 WeakPolarHBondContact O-CA 3.18Å; A276-K293 WeakPolarHBondContact O-CG 3.48Å; A276-G294 PolarHBondContact O-N 3.19Å
277G98.6Very high98.7Very high39 Ų3928.7 Ų28.740%0.40216%0.161SC..THydrogen-bonded Turntrans62.511.7178.800000115.1T259T259-G277 PolarHBondContact OG1-N 3.13Å
278V98.9Very high98.7Very high0 Ų029.1 Ų29.10%016%0.158CC..  trans-69.1139.5176.2169.30000110A260 Q261 I274 G275 A276 V280 V291 L292 S295A260-V278 CarbonylContact C-O 3.44Å; A260-V278 VanDerWaalsContact CA-O 3.27Å; A260-V278 WeakPolarHBondContact CA-O 3.38Å; A260-V278 HydrophobicContact CB-CB 4.43Å; Q261-V278 PolarHBondContact N-O 3.02Å; I274-V278 HydrophobicContact CG2-CB 3.66Å; I274-V278 HydrophobicContact CG2-CG1 3.62Å; I274-V278 HydrophobicContact CG2-CG2 4.35Å; G275-V278 WeakPolarHBondContact O-CB 3.3Å; G275-V278 VanDerWaalsContact O-CG2 3.28Å; G275-V278 WeakPolarHBondContact O-CG2 3.32Å; G275-V278 PolarHBondContact O-N 3.25Å; A276-V278 PolarHBondContact O-N 3.26Å; A276-V278 VanDerWaalsContact O-N 3.09Å; V278-V280 HydrophobicContact CG1-CG2 4.08Å; V278-V291 HydrophobicContact CB-CG1 4.44Å; V278-V291 HydrophobicContact CG1-CB 4.36Å; V278-V291 HydrophobicContact CG1-CG1 3.62Å; V278-V291 HydrophobicContact CG2-CG1 3.89Å; V278-L292 VanDerWaalsContact CG2-O 3.25Å; V278-L292 WeakPolarHBondContact CG2-O 3.43Å; V278-S295 VanDerWaalsContact CA-O 3.23Å; V278-S295 WeakPolarHBondContact CA-O 3.47Å; V278-S295 WeakPolarHBondContact CG1-O 3.26Å
279V98.9Very high98.7Very high30 Ų3029 Ų2918%0.18216%0.157CC..EExtended strand (participates in β ladder)trans-113.6119.7174.1-1790000109.2E281 S295 R296 V297V279-E281 HydrophobicContact CG1-CG 4.44Å; V279-S295 PolarHBondContact N-O 2.88Å; V279-R296 HydrophobicContact CB-CG 4.16Å; V279-R296 HydrophobicContact CG1-CG 4.41Å; V279-R296 CarbonylContact O-C 3.51Å; V279-R296 VanDerWaalsContact O-CA 3.26Å; V279-R296 WeakPolarHBondContact O-CA 3.27Å; V279-V297 PolarHBondContact O-N 2.9Å
280V98.9Very high98.8Very high1 Ų128.8 Ų28.81%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-108.9113.6171.7-179.80000107.3Q261 I262 G263 I268 I274 V278 V284 I286Q261-V280 PolarHBondContact O-N 3.48Å; I262-V280 HydrophobicContact CD1-CB 3.79Å; I262-V280 HydrophobicContact CD1-CG2 3.66Å; G263-V280 PolarHBondContact N-O 2.71Å; I268-V280 HydrophobicContact CD1-CG1 4.49Å; I274-V280 HydrophobicContact CD1-CG2 4.4Å; V278-V280 HydrophobicContact CG1-CG2 4.08Å; V280-V284 HydrophobicContact CG1-CB 3.57Å; V280-V284 HydrophobicContact CG1-CG1 3.58Å; V280-V284 HydrophobicContact CG1-CG2 4.1Å; V280-I286 HydrophobicContact CG1-CD1 4.38Å; V280-I286 HydrophobicContact CG2-CD1 4.26Å
281E98.9Very high98.8Very high37 Ų3726.4 Ų26.417%0.17314%0.139CC..  trans-79.2174.5179.3-61.7-179.2178.200111.7C266 V279 V284 R296 V297 R298 S299C266-E281 PolarHBondContact SG-O 2.73Å; V279-E281 HydrophobicContact CG1-CG 4.44Å; E281-V284 WeakPolarHBondContact O-CB 3.47Å; E281-V284 WeakPolarHBondContact O-CG2 3.32Å; E281-R296 WeakPolarHBondContact OE1-CD 3.3Å; E281-R296 IonicContact OE1-NH1 3.56Å; E281-R296 PolarHBondContact OE1-NH1 3.15Å; E281-V297 PolarHBondContact N-O 3.07Å; E281-R298 WeakPolarHBondContact OE2-CA 3.29Å; E281-R298 VanDerWaalsContact OE2-CB 3.23Å; E281-R298 WeakPolarHBondContact OE2-CB 3.26Å; E281-R298 IonicContact OE2-NE 2.96Å; E281-S299 WeakPolarHBondContact CB-OG 3.5Å; E281-S299 PolarHBondContact OE2-N 2.91Å; E281-S299 VanDerWaalsContact OE2-N 3.12Å; E281-S299 PolarHBondContact OE2-OG 2.78Å
282D98.7Very high98.8Very high74 Ų7425 Ų2540%0.39613%0.131SC..THydrogen-bonded Turntrans-60.5144.9-168.6-58.7-24.2000114.2G263 E264 V284 S299 H300G263-D282 VanDerWaalsContact CA-OD1 3.22Å; G263-D282 WeakPolarHBondContact CA-OD1 3.44Å; E264-D282 PolarHBondContact N-OD1 2.85Å; E264-D282 CarbonylContact O-C 3.5Å; E264-D282 VanDerWaalsContact O-CA 3.32Å; E264-D282 WeakPolarHBondContact O-CA 3.48Å; D282-V284 PolarHBondContact O-N 2.91Å; D282-V284 VanDerWaalsContact O-N 3.14Å; D282-S299 VanDerWaalsContact O-CA 3.22Å; D282-S299 WeakPolarHBondContact O-CA 3.36Å; D282-S299 WeakPolarHBondContact O-CB 3.49Å; D282-H300 PolarHBondContact O-N 3.04Å
283G98.5Very high98.8Very high14 Ų1430.8 Ų30.814%0.14416%0.157CC..THydrogen-bonded Turntrans69.57.3173.200000115.2E264E264-G283 PolarHBondContact O-N 2.98Å
284V98.9Very high98.7Very high0 Ų032.7 Ų32.70%018%0.176CC..  trans-67.7143.8178.5167.80000111.3C266 T267 V280 E281 D282 I286 V297 R298 S301C266-V284 CarbonylContact C-O 3.56Å; C266-V284 VanDerWaalsContact CA-O 3.29Å; C266-V284 WeakPolarHBondContact CA-O 3.09Å; T267-V284 PolarHBondContact N-O 3.04Å; V280-V284 HydrophobicContact CG1-CB 3.57Å; V280-V284 HydrophobicContact CG1-CG1 3.58Å; V280-V284 HydrophobicContact CG1-CG2 4.1Å; E281-V284 WeakPolarHBondContact O-CB 3.47Å; E281-V284 WeakPolarHBondContact O-CG2 3.32Å; D282-V284 PolarHBondContact O-N 2.91Å; D282-V284 VanDerWaalsContact O-N 3.14Å; V284-I286 HydrophobicContact CG1-CD1 3.81Å; V284-I286 HydrophobicContact CG1-CG1 3.59Å; V284-V297 HydrophobicContact CG1-CB 4.36Å; V284-V297 HydrophobicContact CG1-CG1 3.66Å; V284-V297 HydrophobicContact CG2-CG1 4.01Å; V284-R298 WeakPolarHBondContact CG2-O 3.28Å; V284-S301 WeakPolarHBondContact CA-O 3.47Å
285R98.9Very high98.7Very high148 Ų14832.7 Ų32.756%0.55818%0.177SC*.EExtended strand (participates in β ladder)trans-124.1123.5179-61.8-173.2179.7-146.7-1110.6T267 S301 W302 L303T267-R285 CarbonylContact O-C 3.52Å; T267-R285 VanDerWaalsContact O-CA 3.26Å; T267-R285 WeakPolarHBondContact O-CA 3.32Å; R285-S301 PolarHBondContact N-O 2.94Å; R285-W302 HydrophobicContact CB-CB 4.48Å; R285-W302 HydrophobicContact CB-CG 4.36Å; R285-W302 CarbonylContact O-C 3.53Å; R285-W302 VanDerWaalsContact O-CA 3.32Å; R285-W302 WeakPolarHBondContact O-CA 3.17Å; R285-L303 PolarHBondContact O-N 2.6Å
286I98.8Very high98.7Very high3 Ų338 Ų382%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-133.8130.5-175-52.8179.9000109.1T267 G269 V272 I274 V280 V284 C289 V291 L303T267-I286 PolarHBondContact O-N 3.41Å; G269-I286 PolarHBondContact N-O 3.31Å; V272-I286 HydrophobicContact CB-CG2 4.47Å; V272-I286 HydrophobicContact CG1-CB 4.47Å; V272-I286 HydrophobicContact CG1-CG2 3.79Å; V272-I286 HydrophobicContact CG2-CB 4.3Å; V272-I286 HydrophobicContact CG2-CG2 3.75Å; V272-I286 WeakPolarHBondContact CG2-O 3.1Å; I274-I286 HydrophobicContact CD1-CD1 4.11Å; V280-I286 HydrophobicContact CG1-CD1 4.38Å; V280-I286 HydrophobicContact CG2-CD1 4.26Å; V284-I286 HydrophobicContact CG1-CD1 3.81Å; V284-I286 HydrophobicContact CG1-CG1 3.59Å; I286-C289 HydrophobicContact CG2-CB 3.45Å; I286-C289 VanDerWaalsContact CG2-CB 3.45Å; I286-V291 HydrophobicContact CD1-CG2 4.41Å; I286-L303 CarbonylContact C-O 3.49Å; I286-L303 WeakPolarHBondContact CA-O 3.46Å; I286-L303 HydrophobicContact CG2-CB 4.4Å
287K98.8Very high98.8Very high84 Ų8436.6 Ų36.637%0.36518%0.184SC..EExtended strand (participates in β ladder)trans-141.4136.3176.9174.4-179.6171-147.40111P270 C289 L303 E304 S305P270-K287 HydrophobicContact CG-CG 4.36Å; K287-C289 VanDerWaalsContact C-N 3.26Å; K287-C289 PolarHBondContact O-N 2.88Å; K287-C289 PolarHBondContact O-SG 2.95Å; K287-L303 PolarHBondContact N-O 3.32Å; K287-E304 WeakPolarHBondContact CD-OE1 3.19Å; K287-E304 WeakPolarHBondContact CE-OE1 3.33Å; K287-E304 IonicContact NZ-OE1 2.8Å; K287-E304 PolarHBondContact NZ-OE1 2.87Å; K287-E304 CarbonylContact O-C 3.56Å; K287-E304 VanDerWaalsContact O-CA 3.28Å; K287-E304 WeakPolarHBondContact O-CA 3.45Å; K287-S305 PolarHBondContact O-N 2.8Å
288R98.8Very high98.8Very high55 Ų5538.1 Ų38.121%0.20818%0.178CC..SBendtrans53.942178.8-164.2170.3174.6-79.3-6.6112.3T227 P270 N271 S305T227-R288 PolarHBondContact OG1-NH2 3.46Å; T227-R288 VanDerWaalsContact OG1-NH2 3.14Å; P270-R288 PolarHBondContact O-N 3.26Å; N271-R288 CarbonylContact O-C 3.56Å; N271-R288 WeakPolarHBondContact O-CA 3.38Å; N271-R288 PolarHBondContact O-N 2.89Å; R288-S305 WeakPolarHBondContact CD-OG 3.32Å; R288-S305 PolarHBondContact NH1-OG 3.48Å; R288-S305 WeakPolarHBondContact O-CA 3.14Å; R288-S305 PolarHBondContact O-N 2.86Å
289C98.9Very high98.8Very high0 Ų039 Ų390%018%0.184CC..  trans-124.1155.4-176.1-62.40000113.2M229 N271 V272 T273 I286 K287 C306M229-C289 VanDerWaalsContact SD-O 3.38Å; N271-C289 PolarHBondContact O-N 3.14Å; V272-C289 WeakPolarHBondContact CA-O 3.03Å; T273-C289 PolarHBondContact N-O 3.01Å; I286-C289 HydrophobicContact CG2-CB 3.45Å; I286-C289 VanDerWaalsContact CG2-CB 3.45Å; K287-C289 VanDerWaalsContact C-N 3.26Å; K287-C289 PolarHBondContact O-N 2.88Å; K287-C289 PolarHBondContact O-SG 2.95Å; C289-C306 WeakPolarHBondContact CA-O 3.4Å; C289-C306 WeakPolarHBondContact CB-O 3.28Å; C289-C306 PolarHBondContact SG-N 3.42Å
290T98.8Very high98.8Very high1 Ų141.9 Ų41.91%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-113.2126.8163.1-65.30000108.9F225 M229 T273 L292 C306 I307 V308F225-T290 HydrophobicContact CE1-CG2 4.1Å; F225-T290 HydrophobicContact CZ-CG2 4.49Å; M229-T290 PolarHBondContact SD-OG1 2.89Å; T273-T290 WeakPolarHBondContact OG1-CA 3.47Å; T273-T290 WeakPolarHBondContact OG1-CB 3.23Å; T273-T290 WeakPolarHBondContact OG1-CG2 3.25Å; T273-T290 PolarHBondContact OG1-OG1 2.77Å; T273-T290 VanDerWaalsContact OG1-OG1 3.07Å; T290-L292 HydrophobicContact CG2-CD2 3.62Å; T290-L292 HydrophobicContact CG2-CG 3.99Å; T290-C306 PolarHBondContact N-O 2.88Å; T290-I307 HydrophobicContact CG2-CG2 4.48Å; T290-I307 CarbonylContact O-C 3.54Å; T290-I307 WeakPolarHBondContact O-CA 3.16Å; T290-V308 PolarHBondContact O-N 3.1Å
291V98.9Very high98.8Very high0 Ų041.8 Ų41.80%020%0.195CC..EExtended strand (participates in β ladder)trans-112.8109.1172.1-173.30000108.1T273 I274 G275 V278 I286 V297 V308T273-V291 PolarHBondContact O-N 3.3Å; I274-V291 HydrophobicContact CD1-CB 3.98Å; I274-V291 HydrophobicContact CD1-CG2 3.78Å; G275-V291 PolarHBondContact N-O 3.02Å; V278-V291 HydrophobicContact CB-CG1 4.44Å; V278-V291 HydrophobicContact CG1-CB 4.36Å; V278-V291 HydrophobicContact CG1-CG1 3.62Å; V278-V291 HydrophobicContact CG2-CG1 3.89Å; I286-V291 HydrophobicContact CD1-CG2 4.41Å; V291-V297 HydrophobicContact CG1-CG2 4.39Å; V291-V308 HydrophobicContact CB-CB 4.45Å; V291-V308 HydrophobicContact CG1-CB 4.09Å; V291-V308 HydrophobicContact CG1-CG1 4.15Å; V291-V308 HydrophobicContact CG2-CB 4.39Å; V291-V308 HydrophobicContact CG2-CG2 4.38Å
292L98.7Very high98.8Very high5 Ų543.4 Ų43.43%0.02620%0.199CC..  trans-78.7161.7-174.4-65.7177.5000111.9L17 E27 V278 T290 S295 I307 V308 W310L17-L292 HydrophobicContact CD2-CD1 3.91Å; E27-L292 HydrophobicContact CB-CD2 4.16Å; V278-L292 VanDerWaalsContact CG2-O 3.25Å; V278-L292 WeakPolarHBondContact CG2-O 3.43Å; T290-L292 HydrophobicContact CG2-CD2 3.62Å; T290-L292 HydrophobicContact CG2-CG 3.99Å; L292-S295 VanDerWaalsContact O-CB 3.3Å; L292-S295 WeakPolarHBondContact O-CB 3.25Å; L292-S295 PolarHBondContact O-N 2.83Å; L292-S295 PolarHBondContact O-OG 2.87Å; L292-I307 HydrophobicContact CD1-CG2 4.34Å; L292-V308 WeakPolarHBondContact CB-O 3.43Å; L292-V308 PolarHBondContact N-O 3.03Å; L292-W310 HydrophobicContact CB-CD2 4.43Å; L292-W310 HydrophobicContact CB-CG 4.21Å; L292-W310 HydrophobicContact CD1-CD2 4.02Å; L292-W310 HydrophobicContact CD1-CE3 4.28Å; L292-W310 HydrophobicContact CD1-CH2 4.04Å; L292-W310 HydrophobicContact CD1-CZ2 3.77Å; L292-W310 HydrophobicContact CD1-CZ3 4.3Å
293K98.4Very high98.8Very high122 Ų12239.9 Ų39.953%0.5318%0.18SC..THydrogen-bonded Turntrans-46.8139.1-169.2172.1-174.6176.8-173.40113.1A276 S295 W310 S311A276-K293 HydrophobicContact CB-CG 4.24Å; A276-K293 CarbonylContact O-C 3.57Å; A276-K293 VanDerWaalsContact O-CA 3.26Å; A276-K293 WeakPolarHBondContact O-CA 3.18Å; A276-K293 WeakPolarHBondContact O-CG 3.48Å; K293-S295 PolarHBondContact O-N 3.38Å; K293-W310 WeakPolarHBondContact O-CA 3.5Å; K293-S311 PolarHBondContact O-N 2.93Å
294G98.3Very high98.8Very high40 Ų4041.5 Ų41.541%0.41218%0.184SC..THydrogen-bonded Turntrans73.61.6173.700000115.5A276A276-G294 PolarHBondContact O-N 3.19Å
295S98.8Very high98.8Very high1 Ų142.3 Ų42.31%0.00719%0.19CC..  trans-79.4159.8-179-52.10000112.6V278 V279 L292 K293 G309 S311 S312V278-S295 VanDerWaalsContact CA-O 3.23Å; V278-S295 WeakPolarHBondContact CA-O 3.47Å; V278-S295 WeakPolarHBondContact CG1-O 3.26Å; V279-S295 PolarHBondContact N-O 2.88Å; L292-S295 VanDerWaalsContact O-CB 3.3Å; L292-S295 WeakPolarHBondContact O-CB 3.25Å; L292-S295 PolarHBondContact O-N 2.83Å; L292-S295 PolarHBondContact O-OG 2.87Å; K293-S295 PolarHBondContact O-N 3.38Å; S295-G309 PolarHBondContact OG-O 2.84Å; S295-S311 PolarHBondContact OG-N 2.79Å; S295-S312 CarbonylContact C-O 3.55Å; S295-S312 WeakPolarHBondContact CA-O 3.47Å; S295-S312 VanDerWaalsContact CB-O 3.27Å; S295-S312 WeakPolarHBondContact CB-O 3.37Å; S295-S312 PolarHBondContact OG-N 3.32Å
296R98.9Very high98.8Very high114 Ų11435.3 Ų35.343%0.4316%0.163SC..EExtended strand (participates in β ladder)trans-125.2136175.4-176.1176.1-67.8-153.75.6111V279 E281 R298 S312 S313 V314V279-R296 HydrophobicContact CB-CG 4.16Å; V279-R296 HydrophobicContact CG1-CG 4.41Å; V279-R296 CarbonylContact O-C 3.51Å; V279-R296 VanDerWaalsContact O-CA 3.26Å; V279-R296 WeakPolarHBondContact O-CA 3.27Å; E281-R296 WeakPolarHBondContact OE1-CD 3.3Å; E281-R296 IonicContact OE1-NH1 3.56Å; E281-R296 PolarHBondContact OE1-NH1 3.15Å; R296-R298 HydrophobicContact CG-CG 4.12Å; R296-S312 PolarHBondContact N-O 3.37Å; R296-S313 WeakPolarHBondContact O-CA 3.15Å; R296-V314 PolarHBondContact O-N 2.79Å
297V98.9Very high98.8Very high0 Ų035.1 Ų35.10%016%0.163CC..EExtended strand (participates in β ladder)trans-116.6113.5168.2-174.10000107.9V279 E281 V284 V291 L303 V314V279-V297 PolarHBondContact O-N 2.9Å; E281-V297 PolarHBondContact N-O 3.07Å; V284-V297 HydrophobicContact CG1-CB 4.36Å; V284-V297 HydrophobicContact CG1-CG1 3.66Å; V284-V297 HydrophobicContact CG2-CG1 4.01Å; V291-V297 HydrophobicContact CG1-CG2 4.39Å; V297-L303 HydrophobicContact CG1-CD1 3.69Å; V297-L303 HydrophobicContact CG1-CD2 4.34Å; V297-L303 HydrophobicContact CG2-CD2 4.16Å; V297-V314 HydrophobicContact CG1-CB 4.31Å; V297-V314 HydrophobicContact CG1-CG1 4.36Å; V297-V314 HydrophobicContact CG2-CB 4.46Å
298R98.9Very high98.8Very high72 Ų7231.1 Ų31.127%0.27215%0.145SC..  trans-82.7165.5-173.6-61-179.370.3-159.11.6112.4E281 V284 R296 S301 V314 Q316 D334E281-R298 WeakPolarHBondContact OE2-CA 3.29Å; E281-R298 VanDerWaalsContact OE2-CB 3.23Å; E281-R298 WeakPolarHBondContact OE2-CB 3.26Å; E281-R298 IonicContact OE2-NE 2.96Å; V284-R298 WeakPolarHBondContact CG2-O 3.28Å; R296-R298 HydrophobicContact CG-CG 4.12Å; R298-S301 WeakPolarHBondContact O-CB 3.22Å; R298-S301 PolarHBondContact O-N 3.39Å; R298-S301 PolarHBondContact O-OG 3.14Å; R298-V314 VanDerWaalsContact CB-O 3.29Å; R298-V314 WeakPolarHBondContact CB-O 3.2Å; R298-V314 VanDerWaalsContact CG-O 3.27Å; R298-V314 WeakPolarHBondContact CG-O 3.15Å; R298-V314 PolarHBondContact N-O 3.43Å; R298-Q316 HydrophobicContact CB-CG 3.74Å; R298-D334 IonicContact CZ-OD1 3.87Å; R298-D334 IonicContact NH1-OD1 2.69Å; R298-D334 PolarHBondContact NH1-OD1 2.94Å; R298-D334 IonicContact NH1-OD2 3.06Å; R298-D334 PolarHBondContact NH1-OD2 2.8Å
299S98.8Very high98.7Very high19 Ų1928.5 Ų28.513%0.13314%0.135CC..THydrogen-bonded Turntrans-51.6143.7-164.6-55.80000114.4E281 D282 S301 Q316 W317E281-S299 WeakPolarHBondContact CB-OG 3.5Å; E281-S299 PolarHBondContact OE2-N 2.91Å; E281-S299 VanDerWaalsContact OE2-N 3.12Å; E281-S299 PolarHBondContact OE2-OG 2.78Å; D282-S299 VanDerWaalsContact O-CA 3.22Å; D282-S299 WeakPolarHBondContact O-CA 3.36Å; D282-S299 WeakPolarHBondContact O-CB 3.49Å; S299-S301 PolarHBondContact O-N 2.96Å; S299-S301 VanDerWaalsContact O-N 3.09Å; S299-Q316 WeakPolarHBondContact O-CA 3.35Å; S299-W317 PolarHBondContact O-N 3.39Å; S299-W317 VanDerWaalsContact O-N 3.16Å
300H98.7Very high98.7Very high89 Ų8929.2 Ų29.241%0.41214%0.138SC..THydrogen-bonded Turntrans6211.5173.4-49.1-62.7000116.7D282 W317D282-H300 PolarHBondContact O-N 3.04Å; H300-W317 HydrophobicContact CB-CD2 3.71Å; H300-W317 HydrophobicContact CB-CE3 3.48Å; H300-W317 VanDerWaalsContact CB-CE3 3.48Å; H300-W317 HydrophobicContact CB-CH2 3.65Å; H300-W317 HydrophobicContact CB-CZ2 3.86Å; H300-W317 HydrophobicContact CB-CZ3 3.45Å; H300-W317 VanDerWaalsContact CB-CZ3 3.45Å; H300-W317 AromaticContact CD2-CE2 3.78Å; H300-W317 AromaticContact CD2-CH2 3.65Å; H300-W317 AromaticContact CD2-CZ2 3.3Å; H300-W317 WeakPolarHBondContact CD2-CZ2 3.28Å; H300-W317 AromaticContact CG-CH2 3.52Å; H300-W317 AromaticContact CG-CZ2 3.64Å; H300-W317 AromaticContact CG-CZ3 3.87Å
301S98.9Very high98.7Very high0 Ų032.2 Ų32.20%016%0.159CC..  trans-76.5148.9174.4-67.10000112.5V284 R285 R298 S299 G315 W317 V318V284-S301 WeakPolarHBondContact CA-O 3.47Å; R285-S301 PolarHBondContact N-O 2.94Å; R298-S301 WeakPolarHBondContact O-CB 3.22Å; R298-S301 PolarHBondContact O-N 3.39Å; R298-S301 PolarHBondContact O-OG 3.14Å; S299-S301 PolarHBondContact O-N 2.96Å; S299-S301 VanDerWaalsContact O-N 3.09Å; S301-G315 PolarHBondContact OG-O 3.29Å; S301-W317 PolarHBondContact OG-N 3.19Å; S301-W317 VanDerWaalsContact OG-N 3.15Å; S301-V318 CarbonylContact C-O 3.51Å; S301-V318 VanDerWaalsContact CA-O 3.3Å; S301-V318 WeakPolarHBondContact CA-O 3.24Å; S301-V318 WeakPolarHBondContact CB-O 3.48Å; S301-V318 PolarHBondContact OG-N 3.06Å
302W98.9Very high98.7Very high71 Ų7132.3 Ų32.327%0.26916%0.16SC..EExtended strand (participates in β ladder)trans-122.6123.2180-179.792.1000110.8R285 E304 V318 R319 M320 E321R285-W302 HydrophobicContact CB-CB 4.48Å; R285-W302 HydrophobicContact CB-CG 4.36Å; R285-W302 CarbonylContact O-C 3.53Å; R285-W302 VanDerWaalsContact O-CA 3.32Å; R285-W302 WeakPolarHBondContact O-CA 3.17Å; W302-E304 HydrophobicContact CH2-CB 3.53Å; W302-E304 HydrophobicContact CH2-CG 4.42Å; W302-E304 VanDerWaalsContact CH2-OE2 3.26Å; W302-E304 WeakPolarHBondContact CH2-OE2 3.38Å; W302-E304 HydrophobicContact CZ2-CB 3.63Å; W302-E304 HydrophobicContact CZ2-CG 4.43Å; W302-E304 WeakPolarHBondContact CZ2-OE2 3.45Å; W302-E304 HydrophobicContact CZ3-CB 4.01Å; W302-V318 PolarHBondContact N-O 3.24Å; W302-R319 HydrophobicContact CE3-CG 3.67Å; W302-R319 HydrophobicContact CZ3-CG 3.86Å; W302-R319 WeakPolarHBondContact O-CA 3.22Å; W302-M320 PolarHBondContact O-N 3.33Å; W302-E321 HydrophobicContact CH2-CB 4.4Å; W302-E321 WeakPolarHBondContact CH2-OE2 3.3Å; W302-E321 HydrophobicContact CZ3-CB 3.96Å
303L98.9Very high98.7Very high0 Ų033.8 Ų33.80%017%0.17CC..EExtended strand (participates in β ladder)trans-125.2123.5-177.1-6968.1000109.2R285 I286 K287 V297 V308 V314 M320R285-L303 PolarHBondContact O-N 2.6Å; I286-L303 CarbonylContact C-O 3.49Å; I286-L303 WeakPolarHBondContact CA-O 3.46Å; I286-L303 HydrophobicContact CG2-CB 4.4Å; K287-L303 PolarHBondContact N-O 3.32Å; V297-L303 HydrophobicContact CG1-CD1 3.69Å; V297-L303 HydrophobicContact CG1-CD2 4.34Å; V297-L303 HydrophobicContact CG2-CD2 4.16Å; L303-V308 HydrophobicContact CD2-CG2 3.73Å; L303-V314 HydrophobicContact CD1-CG1 4.44Å; L303-M320 WeakPolarHBondContact CA-O 3.32Å; L303-M320 HydrophobicContact CD2-SD 4.49Å; L303-M320 HydrophobicContact CG-CB 4.36Å; L303-M320 HydrophobicContact CG-SD 4.37Å
304E98.8Very high98.7Very high47 Ų4728 Ų2822%0.2215%0.145CC..EExtended strand (participates in β ladder)trans-129.2126.5173.4179.7165-152.600112.3K287 W302 C306 M320 E321K287-E304 WeakPolarHBondContact CD-OE1 3.19Å; K287-E304 WeakPolarHBondContact CE-OE1 3.33Å; K287-E304 IonicContact NZ-OE1 2.8Å; K287-E304 PolarHBondContact NZ-OE1 2.87Å; K287-E304 CarbonylContact O-C 3.56Å; K287-E304 VanDerWaalsContact O-CA 3.28Å; K287-E304 WeakPolarHBondContact O-CA 3.45Å; W302-E304 HydrophobicContact CH2-CB 3.53Å; W302-E304 HydrophobicContact CH2-CG 4.42Å; W302-E304 VanDerWaalsContact CH2-OE2 3.26Å; W302-E304 WeakPolarHBondContact CH2-OE2 3.38Å; W302-E304 HydrophobicContact CZ2-CB 3.63Å; W302-E304 HydrophobicContact CZ2-CG 4.43Å; W302-E304 WeakPolarHBondContact CZ2-OE2 3.45Å; W302-E304 HydrophobicContact CZ3-CB 4.01Å; E304-C306 PolarHBondContact O-SG 3.14Å; E304-M320 PolarHBondContact N-O 3.15Å; E304-E321 WeakPolarHBondContact O-CA 3.25Å
305S98.7Very high98.8Very high18 Ų1826.1 Ų26.113%0.12613%0.126CC..SBendtrans5754.4178.9-62.70000112.4K287 R288 V323K287-S305 PolarHBondContact O-N 2.8Å; R288-S305 WeakPolarHBondContact CD-OG 3.32Å; R288-S305 PolarHBondContact NH1-OG 3.48Å; R288-S305 WeakPolarHBondContact O-CA 3.14Å; R288-S305 PolarHBondContact O-N 2.86Å; S305-V323 WeakPolarHBondContact O-CA 3.49Å; S305-V323 PolarHBondContact O-N 2.98Å
306C98.7Very high98.8Very high0 Ų028.8 Ų28.80%014%0.138CC..EExtended strand (participates in β ladder)trans-128.5158.3-178.9-57.90000112.6C289 T290 E304 M320 T324C289-C306 WeakPolarHBondContact CA-O 3.4Å; C289-C306 WeakPolarHBondContact CB-O 3.28Å; C289-C306 PolarHBondContact SG-N 3.42Å; T290-C306 PolarHBondContact N-O 2.88Å; E304-C306 PolarHBondContact O-SG 3.14Å; C306-M320 HydrophobicContact CB-CE 4.5Å; C306-M320 VanDerWaalsContact SG-CB 3.58Å; C306-M320 PolarHBondContact SG-O 2.87Å; C306-M320 VanDerWaalsContact SG-O 3.32Å; C306-T324 CarbonylContact C-O 3.54Å; C306-T324 VanDerWaalsContact CA-O 3.25Å; C306-T324 WeakPolarHBondContact CA-O 3.15Å; C306-T324 WeakPolarHBondContact CB-O 3.15Å
307I98.9Very high98.8Very high0 Ų030.2 Ų30.20%014%0.144CC..EExtended strand (participates in β ladder)trans-119.9112.6166.4-53.8171.9000107.9L17 P222 F225 L226 T290 L292 T324 V325 L326L17-I307 HydrophobicContact CD1-CD1 4.43Å; L17-I307 HydrophobicContact CD1-CG2 4.05Å; L17-I307 HydrophobicContact CD2-CG2 4.18Å; P222-I307 HydrophobicContact CB-CD1 4.01Å; F225-I307 HydrophobicContact CB-CD1 4.28Å; F225-I307 HydrophobicContact CD1-CD1 3.69Å; F225-I307 HydrophobicContact CD1-CG1 4.37Å; F225-I307 HydrophobicContact CE1-CD1 4.26Å; F225-I307 HydrophobicContact CG-CD1 4.11Å; L226-I307 HydrophobicContact CD1-CG1 4.4Å; L226-I307 HydrophobicContact CD2-CD1 4.41Å; L226-I307 HydrophobicContact CD2-CG1 3.74Å; L226-I307 HydrophobicContact CG-CD1 4.25Å; L226-I307 HydrophobicContact CG-CG1 3.99Å; T290-I307 HydrophobicContact CG2-CG2 4.48Å; T290-I307 CarbonylContact O-C 3.54Å; T290-I307 WeakPolarHBondContact O-CA 3.16Å; L292-I307 HydrophobicContact CD1-CG2 4.34Å; I307-T324 PolarHBondContact N-O 3.09Å; I307-V325 HydrophobicContact CB-CG1 4.1Å; I307-V325 HydrophobicContact CB-CG2 4.4Å; I307-V325 HydrophobicContact CD1-CG2 4.38Å; I307-V325 WeakPolarHBondContact O-CA 3.12Å; I307-L326 PolarHBondContact O-N 2.98Å
308V98.9Very high98.8Very high0 Ų030.3 Ų30.30%014%0.144CC..EExtended strand (participates in β ladder)trans-90.1111.2173.6177.30000107.4T290 V291 L292 L303 V314 M320 L326T290-V308 PolarHBondContact O-N 3.1Å; V291-V308 HydrophobicContact CB-CB 4.45Å; V291-V308 HydrophobicContact CG1-CB 4.09Å; V291-V308 HydrophobicContact CG1-CG1 4.15Å; V291-V308 HydrophobicContact CG2-CB 4.39Å; V291-V308 HydrophobicContact CG2-CG2 4.38Å; L292-V308 WeakPolarHBondContact CB-O 3.43Å; L292-V308 PolarHBondContact N-O 3.03Å; L303-V308 HydrophobicContact CD2-CG2 3.73Å; V308-V314 HydrophobicContact CG1-CG2 4.27Å; V308-V314 HydrophobicContact CG2-CG2 4.17Å; V308-M320 HydrophobicContact CG2-CE 4.44Å; V308-L326 HydrophobicContact CG1-CD1 4.32Å
309G98.4Very high98.8Very high0 Ų032.5 Ų32.50%015%0.153CC..  trans-67.2165.8-179.800000113.7S295 S312 L326 G327S295-G309 PolarHBondContact OG-O 2.84Å; G309-S312 WeakPolarHBondContact O-CB 3.22Å; G309-S312 PolarHBondContact O-N 2.94Å; G309-S312 PolarHBondContact O-OG 3.32Å; G309-L326 WeakPolarHBondContact CA-O 3.26Å; G309-L326 PolarHBondContact N-O 2.82Å; G309-L326 VanDerWaalsContact N-O 3.15Å; G309-G327 CarbonylContact C-O 3.46Å; G309-G327 VanDerWaalsContact CA-O 3.3Å; G309-G327 WeakPolarHBondContact CA-O 3.48Å
310W98.6Very high98.8Very high14 Ų1431.6 Ų31.65%0.05315%0.146CC..THydrogen-bonded Turntrans-52145.1-173.3-57-91.9000113.4L17 V21 V26 E27 L292 K293 S312 E328 D329L17-W310 HydrophobicContact CB-CH2 4Å; L17-W310 HydrophobicContact CB-CZ3 4Å; L17-W310 HydrophobicContact CD2-CH2 4.27Å; L17-W310 HydrophobicContact CD2-CZ3 3.89Å; L17-W310 WeakPolarHBondContact O-CZ3 3.3Å; V21-W310 HydrophobicContact CB-CH2 3.8Å; V21-W310 HydrophobicContact CB-CZ2 4.08Å; V21-W310 HydrophobicContact CB-CZ3 4.3Å; V21-W310 HydrophobicContact CG1-CZ2 4.46Å; V21-W310 HydrophobicContact CG2-CD2 4.38Å; V21-W310 HydrophobicContact CG2-CE3 4.3Å; V21-W310 HydrophobicContact CG2-CH2 3.85Å; V21-W310 HydrophobicContact CG2-CZ2 3.91Å; V21-W310 HydrophobicContact CG2-CZ3 4.04Å; V26-W310 HydrophobicContact CB-CH2 4.42Å; V26-W310 HydrophobicContact CB-CZ2 4.47Å; V26-W310 HydrophobicContact CG1-CH2 4.04Å; V26-W310 HydrophobicContact CG1-CZ2 4.13Å; V26-W310 HydrophobicContact CG2-CH2 4.06Å; E27-W310 PolarHBondContact OE1-NE1 3Å; E27-W310 VanDerWaalsContact OE2-CE2 3.25Å; E27-W310 VanDerWaalsContact OE2-CZ2 3.24Å; E27-W310 WeakPolarHBondContact OE2-CZ2 3.41Å; E27-W310 PolarHBondContact OE2-NE1 2.86Å; L292-W310 HydrophobicContact CB-CD2 4.43Å; L292-W310 HydrophobicContact CB-CG 4.21Å; L292-W310 HydrophobicContact CD1-CD2 4.02Å; L292-W310 HydrophobicContact CD1-CE3 4.28Å; L292-W310 HydrophobicContact CD1-CH2 4.04Å; L292-W310 HydrophobicContact CD1-CZ2 3.77Å; L292-W310 HydrophobicContact CD1-CZ3 4.3Å; K293-W310 WeakPolarHBondContact O-CA 3.5Å; W310-S312 PolarHBondContact O-N 2.92Å; W310-S312 PolarHBondContact O-OG 3.3Å; W310-E328 HydrophobicContact CB-CG 4.2Å; W310-E328 HydrophobicContact CE3-CB 4.36Å; W310-E328 CarbonylContact O-C 3.58Å; W310-E328 VanDerWaalsContact O-CA 3.3Å; W310-E328 WeakPolarHBondContact O-CA 3.48Å; W310-D329 PolarHBondContact O-N 2.96Å
311S98.6Very high98.7Very high64 Ų6428.4 Ų28.445%0.44813%0.132SC..THydrogen-bonded Turntrans5321.3173.8-51.40000114.6K293 S295K293-S311 PolarHBondContact O-N 2.93Å; S295-S311 PolarHBondContact OG-N 2.79Å
312S98.8Very high98.7Very high2 Ų233 Ų331%0.01416%0.156CC..  trans-85.8153-178.4-66.50000111.2S295 R296 G309 W310 G327 V330S295-S312 CarbonylContact C-O 3.55Å; S295-S312 WeakPolarHBondContact CA-O 3.47Å; S295-S312 VanDerWaalsContact CB-O 3.27Å; S295-S312 WeakPolarHBondContact CB-O 3.37Å; S295-S312 PolarHBondContact OG-N 3.32Å; R296-S312 PolarHBondContact N-O 3.37Å; G309-S312 WeakPolarHBondContact O-CB 3.22Å; G309-S312 PolarHBondContact O-N 2.94Å; G309-S312 PolarHBondContact O-OG 3.32Å; W310-S312 PolarHBondContact O-N 2.92Å; W310-S312 PolarHBondContact O-OG 3.3Å; S312-G327 PolarHBondContact OG-O 2.92Å; S312-V330 CarbonylContact C-O 3.58Å; S312-V330 VanDerWaalsContact CA-O 3.22Å; S312-V330 WeakPolarHBondContact CA-O 3.39Å; S312-V330 VanDerWaalsContact CB-O 3.24Å; S312-V330 WeakPolarHBondContact CB-O 3.3Å; S312-V330 PolarHBondContact OG-N 3.44Å; S312-V330 VanDerWaalsContact OG-N 3.14Å
313S98.8Very high98.7Very high36 Ų3631.4 Ų31.425%0.25215%0.154SC..EExtended strand (participates in β ladder)trans-119.8115.8175.1-179.30000110.1R296 V330 I331 V332R296-S313 WeakPolarHBondContact O-CA 3.15Å; S313-V330 PolarHBondContact N-O 2.87Å; S313-I331 WeakPolarHBondContact O-CA 3.22Å; S313-V332 PolarHBondContact O-N 2.95Å
314V98.9Very high98.6Very high0 Ų031.4 Ų31.40%015%0.154CC..EExtended strand (participates in β ladder)trans-93.5120.6170.3178.80000108.5R296 V297 R298 L303 V308 V318 M320 L326R296-V314 PolarHBondContact O-N 2.79Å; V297-V314 HydrophobicContact CG1-CB 4.31Å; V297-V314 HydrophobicContact CG1-CG1 4.36Å; V297-V314 HydrophobicContact CG2-CB 4.46Å; R298-V314 VanDerWaalsContact CB-O 3.29Å; R298-V314 WeakPolarHBondContact CB-O 3.2Å; R298-V314 VanDerWaalsContact CG-O 3.27Å; R298-V314 WeakPolarHBondContact CG-O 3.15Å; R298-V314 PolarHBondContact N-O 3.43Å; L303-V314 HydrophobicContact CD1-CG1 4.44Å; V308-V314 HydrophobicContact CG1-CG2 4.27Å; V308-V314 HydrophobicContact CG2-CG2 4.17Å; V314-V318 HydrophobicContact CG1-CB 3.75Å; V314-V318 HydrophobicContact CG1-CG1 3.62Å; V314-V318 HydrophobicContact CG1-CG2 4.26Å; V314-M320 HydrophobicContact CG1-SD 3.87Å; V314-M320 HydrophobicContact CG2-SD 3.78Å; V314-L326 HydrophobicContact CG2-CD1 4.04Å
315G98.8Very high98.6Very high1 Ų129.2 Ų29.21%0.0114%0.144CC..  trans-58.6175.1-179.700000114.6S301 V318 V332 D334S301-G315 PolarHBondContact OG-O 3.29Å; G315-V318 WeakPolarHBondContact O-CG2 3.23Å; G315-V332 VanDerWaalsContact CA-O 3.25Å; G315-V332 WeakPolarHBondContact CA-O 3.33Å; G315-V332 PolarHBondContact N-O 2.76Å; G315-D334 WeakPolarHBondContact CA-OD1 3.36Å
316Q98.8Very high98.6Very high57 Ų5728.3 Ų28.327%0.26614%0.138SC..THydrogen-bonded Turntrans-73148.8174.9-63.1-179.4-7.200110.6R298 S299 V318 D334 E335R298-Q316 HydrophobicContact CB-CG 3.74Å; S299-Q316 WeakPolarHBondContact O-CA 3.35Å; Q316-V318 PolarHBondContact O-N 3.12Å; Q316-D334 HydrophobicContact CB-CB 4.31Å; Q316-D334 PolarHBondContact N-OD1 3.4Å; Q316-D334 CarbonylContact O-C 3.53Å; Q316-D334 VanDerWaalsContact O-CA 3.27Å; Q316-D334 WeakPolarHBondContact O-CA 3.21Å; Q316-E335 PolarHBondContact O-N 3.16Å
317W98.7Very high98.6Very high145 Ų14528.3 Ų28.355%0.54914%0.138SC..THydrogen-bonded Turntrans55.323.5177.3-51.8102.8000114.4S299 H300 S301 E335S299-W317 PolarHBondContact O-N 3.39Å; S299-W317 VanDerWaalsContact O-N 3.16Å; H300-W317 HydrophobicContact CB-CD2 3.71Å; H300-W317 HydrophobicContact CB-CE3 3.48Å; H300-W317 VanDerWaalsContact CB-CE3 3.48Å; H300-W317 HydrophobicContact CB-CH2 3.65Å; H300-W317 HydrophobicContact CB-CZ2 3.86Å; H300-W317 HydrophobicContact CB-CZ3 3.45Å; H300-W317 VanDerWaalsContact CB-CZ3 3.45Å; H300-W317 AromaticContact CD2-CE2 3.78Å; H300-W317 AromaticContact CD2-CH2 3.65Å; H300-W317 AromaticContact CD2-CZ2 3.3Å; H300-W317 WeakPolarHBondContact CD2-CZ2 3.28Å; H300-W317 AromaticContact CG-CH2 3.52Å; H300-W317 AromaticContact CG-CZ2 3.64Å; H300-W317 AromaticContact CG-CZ3 3.87Å; S301-W317 PolarHBondContact OG-N 3.19Å; S301-W317 VanDerWaalsContact OG-N 3.15Å; W317-E335 HydrophobicContact CB-CG 4.08Å
318V98.9Very high98.6Very high1 Ų131.1 Ų31.11%0.00615%0.151CC..  trans-81.1138.2178.5167.80000109.9S301 W302 V314 G315 Q316 M320 V332 N333 L336S301-V318 CarbonylContact C-O 3.51Å; S301-V318 VanDerWaalsContact CA-O 3.3Å; S301-V318 WeakPolarHBondContact CA-O 3.24Å; S301-V318 WeakPolarHBondContact CB-O 3.48Å; S301-V318 PolarHBondContact OG-N 3.06Å; W302-V318 PolarHBondContact N-O 3.24Å; V314-V318 HydrophobicContact CG1-CB 3.75Å; V314-V318 HydrophobicContact CG1-CG1 3.62Å; V314-V318 HydrophobicContact CG1-CG2 4.26Å; G315-V318 WeakPolarHBondContact O-CG2 3.23Å; Q316-V318 PolarHBondContact O-N 3.12Å; V318-M320 HydrophobicContact CG1-CG 3.74Å; V318-M320 HydrophobicContact CG1-SD 4.12Å; V318-V332 HydrophobicContact CG1-CG1 4.01Å; V318-V332 HydrophobicContact CG2-CG1 4.07Å; V318-N333 WeakPolarHBondContact CG2-O 3.44Å; V318-L336 CarbonylContact C-O 3.5Å; V318-L336 VanDerWaalsContact CA-O 3.31Å; V318-L336 WeakPolarHBondContact CA-O 3.45Å; V318-L336 HydrophobicContact CG2-CB 4.48Å
319R98.8Very high98.6Very high118 Ų11834.4 Ų34.445%0.44517%0.169SC..EExtended strand (participates in β ladder)trans-110.4121.5170177.3169.5179.1144.15.1109.7W302 E321 L336 Y337 L338W302-R319 HydrophobicContact CE3-CG 3.67Å; W302-R319 HydrophobicContact CZ3-CG 3.86Å; W302-R319 WeakPolarHBondContact O-CA 3.22Å; R319-E321 IonicContact CZ-OE1 2.76Å; R319-E321 VanDerWaalsContact CZ-OE1 3.22Å; R319-E321 IonicContact CZ-OE2 2.88Å; R319-E321 IonicContact NE-OE1 3.22Å; R319-E321 PolarHBondContact NE-OE1 3.31Å; R319-E321 IonicContact NE-OE2 3.35Å; R319-E321 VanDerWaalsContact NH2-CD 3.33Å; R319-E321 IonicContact NH2-OE1 3.46Å; R319-E321 PolarHBondContact NH2-OE1 2.92Å; R319-E321 IonicContact NH2-OE2 2.78Å; R319-E321 PolarHBondContact NH2-OE2 2.87Å; R319-L336 PolarHBondContact N-O 2.57Å; R319-Y337 HydrophobicContact CB-CD2 3.88Å; R319-Y337 HydrophobicContact CG-CD2 3.6Å; R319-Y337 HydrophobicContact CG-CE2 3.91Å; R319-Y337 CarbonylContact O-C 3.58Å; R319-Y337 WeakPolarHBondContact O-CA 3.29Å; R319-L338 PolarHBondContact O-N 2.82Å
320M98.7Very high98.6Very high0 Ų034.4 Ų34.40%017%0.169CC..EExtended strand (participates in β ladder)trans-125.3130.1173.5-66.6167.46700110.5W302 L303 E304 C306 V308 V314 V318 T324 L326 L338W302-M320 PolarHBondContact O-N 3.33Å; L303-M320 WeakPolarHBondContact CA-O 3.32Å; L303-M320 HydrophobicContact CD2-SD 4.49Å; L303-M320 HydrophobicContact CG-CB 4.36Å; L303-M320 HydrophobicContact CG-SD 4.37Å; E304-M320 PolarHBondContact N-O 3.15Å; C306-M320 HydrophobicContact CB-CE 4.5Å; C306-M320 VanDerWaalsContact SG-CB 3.58Å; C306-M320 PolarHBondContact SG-O 2.87Å; C306-M320 VanDerWaalsContact SG-O 3.32Å; V308-M320 HydrophobicContact CG2-CE 4.44Å; V314-M320 HydrophobicContact CG1-SD 3.87Å; V314-M320 HydrophobicContact CG2-SD 3.78Å; V318-M320 HydrophobicContact CG1-CG 3.74Å; V318-M320 HydrophobicContact CG1-SD 4.12Å; M320-T324 HydrophobicContact CE-CG2 3.47Å; M320-T324 VanDerWaalsContact CE-CG2 3.47Å; M320-L326 HydrophobicContact CE-CD1 3.75Å; M320-L326 HydrophobicContact CE-CD2 3.83Å; M320-L326 HydrophobicContact CE-CG 3.72Å; M320-L326 HydrophobicContact SD-CD1 4.49Å; M320-L338 WeakPolarHBondContact CA-O 3.35Å; M320-L338 HydrophobicContact CG-CB 4.09Å
321E98.5Very high98.6Very high23 Ų2337.3 Ų37.311%0.10718%0.184CC..EExtended strand (participates in β ladder)trans-147.4-178.4176.868.4-164.913800115.7W302 E304 R319 V323 T324 Y337 L338 G340W302-E321 HydrophobicContact CH2-CB 4.4Å; W302-E321 WeakPolarHBondContact CH2-OE2 3.3Å; W302-E321 HydrophobicContact CZ3-CB 3.96Å; E304-E321 WeakPolarHBondContact O-CA 3.25Å; R319-E321 IonicContact CZ-OE1 2.76Å; R319-E321 VanDerWaalsContact CZ-OE1 3.22Å; R319-E321 IonicContact CZ-OE2 2.88Å; R319-E321 IonicContact NE-OE1 3.22Å; R319-E321 PolarHBondContact NE-OE1 3.31Å; R319-E321 IonicContact NE-OE2 3.35Å; R319-E321 VanDerWaalsContact NH2-CD 3.33Å; R319-E321 IonicContact NH2-OE1 3.46Å; R319-E321 PolarHBondContact NH2-OE1 2.92Å; R319-E321 IonicContact NH2-OE2 2.78Å; R319-E321 PolarHBondContact NH2-OE2 2.87Å; E321-V323 PolarHBondContact O-N 2.82Å; E321-T324 PolarHBondContact O-N 3.03Å; E321-T324 PolarHBondContact O-OG1 3.47Å; E321-Y337 HydrophobicContact CG-CE2 4.03Å; E321-Y337 WeakPolarHBondContact OE1-CE2 3.27Å; E321-Y337 PolarHBondContact OE1-OH 2.83Å; E321-Y337 VanDerWaalsContact OE1-OH 3.09Å; E321-L338 PolarHBondContact N-O 3.21Å; E321-G340 PolarHBondContact O-N 2.77Å
322N97.7Very high98.6Very high97 Ų9734.3 Ų34.352%0.51916%0.163SC..SBendtrans56.148.1171.5-67.8-34.7000115.7N339 G340N322-N339 WeakPolarHBondContact CB-OD1 3.08Å; N322-N339 PolarHBondContact ND2-OD1 3.35Å; N322-G340 WeakPolarHBondContact O-CA 3.26Å
323V98.1Very high98.6Very high37 Ų3737.2 Ų37.222%0.22418%0.178CC..SBendtrans65.142179.3-160.50000111.3P222 K223 L226 S305 E321 V325P222-V323 HydrophobicContact CB-CG1 3.75Å; K223-V323 HydrophobicContact CB-CG1 4.49Å; L226-V323 HydrophobicContact CD1-CG1 4.27Å; L226-V323 HydrophobicContact CD1-CG2 4.49Å; S305-V323 WeakPolarHBondContact O-CA 3.49Å; S305-V323 PolarHBondContact O-N 2.98Å; E321-V323 PolarHBondContact O-N 2.82Å; V323-V325 HydrophobicContact CG1-CG2 4.44Å
324T98.7Very high98.6Very high0 Ų038.4 Ų38.40%018%0.182CC..EExtended strand (participates in β ladder)trans-67.2130.1165.1-670000109.9C306 I307 M320 E321 L326 L338 G340 A341C306-T324 CarbonylContact C-O 3.54Å; C306-T324 VanDerWaalsContact CA-O 3.25Å; C306-T324 WeakPolarHBondContact CA-O 3.15Å; C306-T324 WeakPolarHBondContact CB-O 3.15Å; I307-T324 PolarHBondContact N-O 3.09Å; M320-T324 HydrophobicContact CE-CG2 3.47Å; M320-T324 VanDerWaalsContact CE-CG2 3.47Å; E321-T324 PolarHBondContact O-N 3.03Å; E321-T324 PolarHBondContact O-OG1 3.47Å; T324-L326 HydrophobicContact CG2-CD2 4.18Å; T324-L338 HydrophobicContact CG2-CB 4.16Å; T324-L338 HydrophobicContact CG2-CD2 4.17Å; T324-L338 PolarHBondContact OG1-O 2.81Å; T324-G340 PolarHBondContact OG1-N 2.81Å; T324-A341 CarbonylContact C-O 3.52Å; T324-A341 VanDerWaalsContact CA-O 3.26Å; T324-A341 WeakPolarHBondContact CA-O 3.27Å; T324-A341 HydrophobicContact CG2-CB 4.18Å; T324-A341 PolarHBondContact OG1-N 3.28Å
325V98.8Very high98.6Very high0 Ų045.5 Ų45.50%022%0.215CC..EExtended strand (participates in β ladder)trans-126.4123.3-179.3-172.40000109.5P16 L17 P222 I307 V323 A341 V343P16-V325 HydrophobicContact CG-CB 4.27Å; P16-V325 HydrophobicContact CG-CG1 3.72Å; L17-V325 HydrophobicContact CD2-CG1 4.22Å; L17-V325 HydrophobicContact CG-CG1 4.17Å; P222-V325 HydrophobicContact CB-CG2 3.55Å; P222-V325 HydrophobicContact CG-CG2 3.83Å; I307-V325 HydrophobicContact CB-CG1 4.1Å; I307-V325 HydrophobicContact CB-CG2 4.4Å; I307-V325 HydrophobicContact CD1-CG2 4.38Å; I307-V325 WeakPolarHBondContact O-CA 3.12Å; V323-V325 HydrophobicContact CG1-CG2 4.44Å; V325-A341 PolarHBondContact N-O 3.04Å; V325-V343 PolarHBondContact O-N 2.77Å
326L98.8Very high98.6Very high0 Ų046.4 Ų46.40%022%0.22CC..EExtended strand (participates in β ladder)trans-96.5138.3171.2-49.9-173000109.6I307 V308 G309 V314 M320 T324 V330 V332 L338 V343I307-L326 PolarHBondContact O-N 2.98Å; V308-L326 HydrophobicContact CG1-CD1 4.32Å; G309-L326 WeakPolarHBondContact CA-O 3.26Å; G309-L326 PolarHBondContact N-O 2.82Å; G309-L326 VanDerWaalsContact N-O 3.15Å; V314-L326 HydrophobicContact CG2-CD1 4.04Å; M320-L326 HydrophobicContact CE-CD1 3.75Å; M320-L326 HydrophobicContact CE-CD2 3.83Å; M320-L326 HydrophobicContact CE-CG 3.72Å; M320-L326 HydrophobicContact SD-CD1 4.49Å; T324-L326 HydrophobicContact CG2-CD2 4.18Å; L326-V330 HydrophobicContact CB-CB 4.07Å; L326-V330 HydrophobicContact CB-CG1 4.34Å; L326-V330 HydrophobicContact CB-CG2 4.22Å; L326-V330 HydrophobicContact CD1-CB 4.4Å; L326-V330 HydrophobicContact CD1-CG1 4.2Å; L326-V330 HydrophobicContact CD2-CG1 4.11Å; L326-V330 HydrophobicContact CG-CG1 4.44Å; L326-V332 HydrophobicContact CD1-CG2 3.88Å; L326-V332 HydrophobicContact CD2-CG2 4.27Å; L326-L338 HydrophobicContact CD2-CD2 4.34Å; L326-V343 HydrophobicContact CD2-CB 3.91Å; L326-V343 HydrophobicContact CD2-CG2 3.64Å
327G98.3Very high98.6Very high0 Ų046.7 Ų46.70%022%0.219CC..  trans-69.9-167.6166.100000111.9G309 S312 V343G309-G327 CarbonylContact C-O 3.46Å; G309-G327 VanDerWaalsContact CA-O 3.3Å; G309-G327 WeakPolarHBondContact CA-O 3.48Å; S312-G327 PolarHBondContact OG-O 2.92Å; G327-V343 PolarHBondContact N-O 3.33Å
328E98.3Very high98.6Very high59 Ų5939.8 Ų39.828%0.27619%0.193SC..THydrogen-bonded Turntrans-70.2144172179.2174.1-143.900111.5S20 W310 V330 P345 H346S20-E328 WeakPolarHBondContact CB-OE2 3.21Å; S20-E328 WeakPolarHBondContact OG-CB 3.33Å; S20-E328 PolarHBondContact OG-OE2 2.86Å; W310-E328 HydrophobicContact CB-CG 4.2Å; W310-E328 HydrophobicContact CE3-CB 4.36Å; W310-E328 CarbonylContact O-C 3.58Å; W310-E328 VanDerWaalsContact O-CA 3.3Å; W310-E328 WeakPolarHBondContact O-CA 3.48Å; E328-V330 VanDerWaalsContact C-N 3.3Å; E328-V330 PolarHBondContact O-N 2.78Å; E328-P345 HydrophobicContact CB-CB 4.3Å; E328-P345 CarbonylContact O-C 3.32Å; E328-P345 WeakPolarHBondContact O-CA 3.34Å; E328-P345 WeakPolarHBondContact O-CB 3.14Å; E328-H346 PolarHBondContact O-N 2.82Å
329D98.6Very high98.6Very high69 Ų6940.8 Ų40.837%0.36920%0.198SC..THydrogen-bonded Turntrans54.945.4169.9-176.444.3000112.4W310 H346W310-D329 PolarHBondContact O-N 2.96Å; D329-H346 WeakPolarHBondContact CB-ND1 3.33Å; D329-H346 VanDerWaalsContact O-CA 3.31Å; D329-H346 WeakPolarHBondContact O-CA 3.31Å; D329-H346 IonicContact OD2-CE1 3.65Å; D329-H346 IonicContact OD2-CG 3.22Å; D329-H346 IonicContact OD2-ND1 3.83Å; D329-H346 PolarHBondContact OD2-ND1 2.88Å
330V98.8Very high98.5Very high0 Ų035.5 Ų35.50%018%0.18CC..  trans-94.5132.4174.21760000109.8S312 S313 L326 E328 V332 V343 L344 K347 I349S312-V330 CarbonylContact C-O 3.58Å; S312-V330 VanDerWaalsContact CA-O 3.22Å; S312-V330 WeakPolarHBondContact CA-O 3.39Å; S312-V330 VanDerWaalsContact CB-O 3.24Å; S312-V330 WeakPolarHBondContact CB-O 3.3Å; S312-V330 PolarHBondContact OG-N 3.44Å; S312-V330 VanDerWaalsContact OG-N 3.14Å; S313-V330 PolarHBondContact N-O 2.87Å; L326-V330 HydrophobicContact CB-CB 4.07Å; L326-V330 HydrophobicContact CB-CG1 4.34Å; L326-V330 HydrophobicContact CB-CG2 4.22Å; L326-V330 HydrophobicContact CD1-CB 4.4Å; L326-V330 HydrophobicContact CD1-CG1 4.2Å; L326-V330 HydrophobicContact CD2-CG1 4.11Å; L326-V330 HydrophobicContact CG-CG1 4.44Å; E328-V330 VanDerWaalsContact C-N 3.3Å; E328-V330 PolarHBondContact O-N 2.78Å; V330-V332 HydrophobicContact CG1-CG2 4.26Å; V330-V343 HydrophobicContact CB-CG1 4.48Å; V330-V343 HydrophobicContact CG1-CB 4.31Å; V330-V343 HydrophobicContact CG1-CG1 3.67Å; V330-V343 HydrophobicContact CG2-CB 4.44Å; V330-V343 HydrophobicContact CG2-CG1 3.92Å; V330-L344 WeakPolarHBondContact CG2-O 3.14Å; V330-K347 CarbonylContact C-O 3.47Å; V330-K347 WeakPolarHBondContact CA-O 3.38Å; V330-I349 HydrophobicContact CG1-CG1 4.43Å
331I98.9Very high98.5Very high75 Ų7535.5 Ų35.539%0.38518%0.18SC..EExtended strand (participates in β ladder)trans-105.7118.7173.9-56.8172.6000107.8S313 K347 S348 I349S313-I331 WeakPolarHBondContact O-CA 3.22Å; I331-K347 PolarHBondContact N-O 3.09Å; I331-S348 CarbonylContact O-C 3.57Å; I331-S348 VanDerWaalsContact O-CA 3.31Å; I331-S348 WeakPolarHBondContact O-CA 3.45Å; I331-I349 PolarHBondContact O-N 2.78Å
332V98.8Very high98.5Very high1 Ų136.7 Ų36.71%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-103.3117.8168-175.10000106.9S313 G315 V318 L326 V330 L336 L338 I349S313-V332 PolarHBondContact O-N 2.95Å; G315-V332 VanDerWaalsContact CA-O 3.25Å; G315-V332 WeakPolarHBondContact CA-O 3.33Å; G315-V332 PolarHBondContact N-O 2.76Å; V318-V332 HydrophobicContact CG1-CG1 4.01Å; V318-V332 HydrophobicContact CG2-CG1 4.07Å; L326-V332 HydrophobicContact CD1-CG2 3.88Å; L326-V332 HydrophobicContact CD2-CG2 4.27Å; V330-V332 HydrophobicContact CG1-CG2 4.26Å; V332-L336 HydrophobicContact CG1-CB 4.18Å; V332-L336 HydrophobicContact CG1-CD1 4.12Å; V332-L338 HydrophobicContact CG1-CD1 3.76Å; V332-L338 HydrophobicContact CG1-CD2 4.33Å; V332-L338 HydrophobicContact CG2-CD2 4.15Å; V332-I349 HydrophobicContact CG1-CB 4.48Å; V332-I349 HydrophobicContact CG2-CG1 4.35Å
333N98.7Very high98.5Very high62 Ų6232 Ų3233%0.33216%0.162SC..PPolyproline II helixtrans-68166.3179-73.1-15.6000112.1V318 L336 I349 N350V318-N333 WeakPolarHBondContact CG2-O 3.44Å; N333-L336 HydrophobicContact CB-CD1 4.06Å; N333-L336 WeakPolarHBondContact O-CG 3.29Å; N333-I349 WeakPolarHBondContact CB-O 3.21Å; N333-I349 PolarHBondContact N-O 2.72Å; N333-N350 PolarHBondContact ND2-OD1 3.02Å
334D98.8Very high98.5Very high61 Ų6132.4 Ų32.433%0.32616%0.163SC..THydrogen-bonded Turntrans-60.8151.2-178.4-56.5-18.8000111.3R298 G315 Q316 L336R298-D334 IonicContact CZ-OD1 3.87Å; R298-D334 IonicContact NH1-OD1 2.69Å; R298-D334 PolarHBondContact NH1-OD1 2.94Å; R298-D334 IonicContact NH1-OD2 3.06Å; R298-D334 PolarHBondContact NH1-OD2 2.8Å; G315-D334 WeakPolarHBondContact CA-OD1 3.36Å; Q316-D334 HydrophobicContact CB-CB 4.31Å; Q316-D334 PolarHBondContact N-OD1 3.4Å; Q316-D334 CarbonylContact O-C 3.53Å; Q316-D334 VanDerWaalsContact O-CA 3.27Å; Q316-D334 WeakPolarHBondContact O-CA 3.21Å; D334-L336 VanDerWaalsContact C-N 3.29Å; D334-L336 PolarHBondContact O-N 2.76Å
335E98.6Very high98.5Very high150 Ų15033.2 Ų33.270%0.70117%0.168SC*.THydrogen-bonded Turntrans64.223.9172.4-54.8178.2176.700115.5Q316 W317Q316-E335 PolarHBondContact O-N 3.16Å; W317-E335 HydrophobicContact CB-CG 4.08Å
336L98.7Very high98.5Very high19 Ų1938.8 Ų38.810%0.09919%0.194CC..  trans-97.3149.3179.9-60.1-172.9000113.8V318 R319 V332 N333 D334 L338 I349V318-L336 CarbonylContact C-O 3.5Å; V318-L336 VanDerWaalsContact CA-O 3.31Å; V318-L336 WeakPolarHBondContact CA-O 3.45Å; V318-L336 HydrophobicContact CG2-CB 4.48Å; R319-L336 PolarHBondContact N-O 2.57Å; V332-L336 HydrophobicContact CG1-CB 4.18Å; V332-L336 HydrophobicContact CG1-CD1 4.12Å; N333-L336 HydrophobicContact CB-CD1 4.06Å; N333-L336 WeakPolarHBondContact O-CG 3.29Å; D334-L336 VanDerWaalsContact C-N 3.29Å; D334-L336 PolarHBondContact O-N 2.76Å; L336-L338 HydrophobicContact CB-CD1 3.94Å; L336-I349 HydrophobicContact CD1-CB 4.4Å; L336-I349 HydrophobicContact CD1-CG2 3.94Å; L336-I349 WeakPolarHBondContact CD1-O 3.16Å
337Y98.7Very high98.4Very high64 Ų6441.9 Ų41.925%0.25121%0.207SC..EExtended strand (participates in β ladder)trans-110.8124.5170.8172.3-131.1000111R319 E321 N339 S352 V353 P354R319-Y337 HydrophobicContact CB-CD2 3.88Å; R319-Y337 HydrophobicContact CG-CD2 3.6Å; R319-Y337 HydrophobicContact CG-CE2 3.91Å; R319-Y337 CarbonylContact O-C 3.58Å; R319-Y337 WeakPolarHBondContact O-CA 3.29Å; E321-Y337 HydrophobicContact CG-CE2 4.03Å; E321-Y337 WeakPolarHBondContact OE1-CE2 3.27Å; E321-Y337 PolarHBondContact OE1-OH 2.83Å; E321-Y337 VanDerWaalsContact OE1-OH 3.09Å; Y337-N339 HydrophobicContact CE1-CB 4.05Å; Y337-N339 HydrophobicContact CE2-CB 4.17Å; Y337-N339 WeakPolarHBondContact OH-CB 3.31Å; Y337-N339 VanDerWaalsContact OH-CG 3.29Å; Y337-N339 PolarHBondContact OH-ND2 2.85Å; Y337-S352 PolarHBondContact N-OG 2.79Å; Y337-S352 CarbonylContact O-C 3.48Å; Y337-S352 VanDerWaalsContact O-CA 3.29Å; Y337-S352 WeakPolarHBondContact O-CA 2.9Å; Y337-S352 WeakPolarHBondContact O-CB 3.26Å; Y337-V353 PolarHBondContact O-N 3.42Å; Y337-P354 HydrophobicContact CD1-CB 4.35Å; Y337-P354 HydrophobicContact CE1-CB 4.23Å
338L98.8Very high98.4Very high0 Ų044.8 Ų44.80%023%0.228CC..EExtended strand (participates in β ladder)trans-122.3126.6175.5-76.866.7000110.7R319 M320 E321 T324 L326 V332 L336 A341 I349 V353R319-L338 PolarHBondContact O-N 2.82Å; M320-L338 WeakPolarHBondContact CA-O 3.35Å; M320-L338 HydrophobicContact CG-CB 4.09Å; E321-L338 PolarHBondContact N-O 3.21Å; T324-L338 HydrophobicContact CG2-CB 4.16Å; T324-L338 HydrophobicContact CG2-CD2 4.17Å; T324-L338 PolarHBondContact OG1-O 2.81Å; L326-L338 HydrophobicContact CD2-CD2 4.34Å; V332-L338 HydrophobicContact CG1-CD1 3.76Å; V332-L338 HydrophobicContact CG1-CD2 4.33Å; V332-L338 HydrophobicContact CG2-CD2 4.15Å; L336-L338 HydrophobicContact CB-CD1 3.94Å; L338-A341 HydrophobicContact CB-CB 4.49Å; L338-A341 HydrophobicContact CD2-CB 4.48Å; L338-I349 HydrophobicContact CD1-CG2 4.3Å; L338-V353 HydrophobicContact CG-CB 4.23Å; L338-V353 HydrophobicContact CG-CG2 4.15Å
339N98.4Very high98.4Very high22 Ų2242.4 Ų42.412%0.11822%0.217CC..EExtended strand (participates in β ladder)trans-123.8105.6-176.1-174.215.1000111.1N322 Y337 A341 V353 P354 E355 P356N322-N339 WeakPolarHBondContact CB-OD1 3.08Å; N322-N339 PolarHBondContact ND2-OD1 3.35Å; Y337-N339 HydrophobicContact CE1-CB 4.05Å; Y337-N339 HydrophobicContact CE2-CB 4.17Å; Y337-N339 WeakPolarHBondContact OH-CB 3.31Å; Y337-N339 VanDerWaalsContact OH-CG 3.29Å; Y337-N339 PolarHBondContact OH-ND2 2.85Å; N339-A341 PolarHBondContact O-N 3.06Å; N339-V353 WeakPolarHBondContact CB-O 3.13Å; N339-V353 PolarHBondContact N-O 3.23Å; N339-P354 VanDerWaalsContact CB-O 3.29Å; N339-P354 WeakPolarHBondContact CB-O 3.34Å; N339-P354 PolarHBondContact ND2-O 2.99Å; N339-E355 CarbonylContact O-C 3.58Å; N339-P356 WeakPolarHBondContact O-CA 3.34Å
340G98.1Very high98.4Very high7 Ų744 Ų447%0.07223%0.226CC..SBendtrans58.429.918000000114.9E321 N322 T324E321-G340 PolarHBondContact O-N 2.77Å; N322-G340 WeakPolarHBondContact O-CA 3.26Å; T324-G340 PolarHBondContact OG1-N 2.81Å
341A98Very high98.3Very high0 Ų050.9 Ų50.90%026%0.258CS..  trans-78.8138.5-179.200000111.4T324 V325 L338 N339 V343 V353 R357 I359T324-A341 CarbonylContact C-O 3.52Å; T324-A341 VanDerWaalsContact CA-O 3.26Å; T324-A341 WeakPolarHBondContact CA-O 3.27Å; T324-A341 HydrophobicContact CG2-CB 4.18Å; T324-A341 PolarHBondContact OG1-N 3.28Å; V325-A341 PolarHBondContact N-O 3.04Å; L338-A341 HydrophobicContact CB-CB 4.49Å; L338-A341 HydrophobicContact CD2-CB 4.48Å; N339-A341 PolarHBondContact O-N 3.06Å; A341-V343 HydrophobicContact CB-CG2 4.24Å; A341-V353 HydrophobicContact CB-CB 4.4Å; A341-V353 HydrophobicContact CB-CG1 3.9Å; A341-R357 WeakPolarHBondContact CA-O 3.25Å; A341-I359 HydrophobicContact CB-CD1 4.5Å
342N98Very high98.3Very high47 Ų4749.9 Ų49.925%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-108.9103.3168-72.9-74000108.6R357 I358 I359N342-R357 PolarHBondContact N-O 2.92Å; N342-I358 HydrophobicContact CB-CG1 4.23Å; N342-I358 CarbonylContact O-C 3.56Å; N342-I358 WeakPolarHBondContact O-CA 3.29Å; N342-I359 PolarHBondContact O-N 3.21Å
343V98.4Very high98.3Very high0 Ų049.9 Ų49.90%026%0.257CS..EExtended strand (participates in β ladder)trans-99121-173.6-172.30000109.9P16 V325 L326 G327 V330 A341 K347 I349 I359P16-V343 WeakPolarHBondContact CB-O 3.38Å; P16-V343 WeakPolarHBondContact CG-O 3.43Å; V325-V343 PolarHBondContact O-N 2.77Å; L326-V343 HydrophobicContact CD2-CB 3.91Å; L326-V343 HydrophobicContact CD2-CG2 3.64Å; G327-V343 PolarHBondContact N-O 3.33Å; V330-V343 HydrophobicContact CB-CG1 4.48Å; V330-V343 HydrophobicContact CG1-CB 4.31Å; V330-V343 HydrophobicContact CG1-CG1 3.67Å; V330-V343 HydrophobicContact CG2-CB 4.44Å; V330-V343 HydrophobicContact CG2-CG1 3.92Å; A341-V343 HydrophobicContact CB-CG2 4.24Å; V343-K347 HydrophobicContact CG1-CB 3.77Å; V343-K347 HydrophobicContact CG1-CG 4.19Å; V343-I349 HydrophobicContact CG1-CD1 3.75Å; V343-I349 HydrophobicContact CG1-CG1 4.18Å; V343-I349 HydrophobicContact CG2-CD1 4.29Å; V343-I349 HydrophobicContact CG2-CG1 4.42Å; V343-I359 HydrophobicContact CG1-CB 4.37Å; V343-I359 HydrophobicContact CG2-CB 4.4Å; V343-I359 HydrophobicContact CG2-CD1 4.13Å
344L98.1Very high98.2Very high44 Ų4450.3 Ų50.323%0.2326%0.263CS..PPolyproline II helixtrans-65.8161178.5-84.372.8000111.4L19 V330 K347 I358 I359 M360L19-L344 HydrophobicContact CD1-CD2 4.08Å; L19-L344 HydrophobicContact CD1-CG 3.88Å; V330-L344 WeakPolarHBondContact CG2-O 3.14Å; L344-K347 HydrophobicContact CB-CG 4.5Å; L344-K347 WeakPolarHBondContact O-CG 3.34Å; L344-I358 HydrophobicContact CD1-CG2 3.4Å; L344-I358 VanDerWaalsContact CD1-CG2 3.4Å; L344-I359 WeakPolarHBondContact CB-O 3.34Å; L344-I359 WeakPolarHBondContact CD1-O 3.46Å; L344-I359 PolarHBondContact N-O 2.86Å; L344-M360 HydrophobicContact CD1-CG 4.28Å; L344-M360 HydrophobicContact CD2-CB 4.47Å; L344-M360 HydrophobicContact CD2-CG 4.34Å
345P98.3Very high98.1Very high18 Ų1853.8 Ų53.812%0.11728%0.278CS..SBendtrans-57.8152.9178.2-2635.3000114.1L19 E328L19-P345 HydrophobicContact CB-CG 3.98Å; L19-P345 HydrophobicContact CD1-CG 4.39Å; E328-P345 HydrophobicContact CB-CB 4.3Å; E328-P345 CarbonylContact O-C 3.32Å; E328-P345 WeakPolarHBondContact O-CA 3.34Å; E328-P345 WeakPolarHBondContact O-CB 3.14Å
346H98Very high98.1Very high117 Ų11750.7 Ų50.754%0.54227%0.27SS..SBendtrans6046.4174.3-46.9-65.5000113.7E328 D329E328-H346 PolarHBondContact O-N 2.82Å; D329-H346 WeakPolarHBondContact CB-ND1 3.33Å; D329-H346 VanDerWaalsContact O-CA 3.31Å; D329-H346 WeakPolarHBondContact O-CA 3.31Å; D329-H346 IonicContact OD2-CE1 3.65Å; D329-H346 IonicContact OD2-CG 3.22Å; D329-H346 IonicContact OD2-ND1 3.83Å; D329-H346 PolarHBondContact OD2-ND1 2.88Å
347K98.1Very high97.9Very high65 Ų6555.8 Ų55.828%0.28329%0.288SS..  trans-118.6145.8-178.7-61.8-65.9156.3166.20112V330 I331 V343 L344 M360V330-K347 CarbonylContact C-O 3.47Å; V330-K347 WeakPolarHBondContact CA-O 3.38Å; I331-K347 PolarHBondContact N-O 3.09Å; V343-K347 HydrophobicContact CG1-CB 3.77Å; V343-K347 HydrophobicContact CG1-CG 4.19Å; L344-K347 HydrophobicContact CB-CG 4.5Å; L344-K347 WeakPolarHBondContact O-CG 3.34Å; K347-M360 WeakPolarHBondContact CD-O 3.31Å; K347-M360 VanDerWaalsContact CE-O 3.26Å; K347-M360 WeakPolarHBondContact CE-O 3.12Å; K347-M360 WeakPolarHBondContact CE-OXT 3.28Å; K347-M360 PolarHBondContact NZ-O 3.38Å; K347-M360 PolarHBondContact NZ-OXT 2.74Å
348S98Very high97.8Very high61 Ų6158.2 Ų58.243%0.42731%0.305SS..EExtended strand (participates in β ladder)trans-109.2122.5167.9-168.80000109.3I331 N350I331-S348 CarbonylContact O-C 3.57Å; I331-S348 VanDerWaalsContact O-CA 3.31Å; I331-S348 WeakPolarHBondContact O-CA 3.45Å; S348-N350 PolarHBondContact OG-OD1 2.66Å
349I98.1Very high97.7Very high8 Ų859.7 Ų59.74%0.04131%0.312CS..EExtended strand (participates in β ladder)trans-97.2115.7176.5-51.5-54.7000107.8V330 I331 V332 N333 L336 L338 V343 E351 V353 I359V330-I349 HydrophobicContact CG1-CG1 4.43Å; I331-I349 PolarHBondContact O-N 2.78Å; V332-I349 HydrophobicContact CG1-CB 4.48Å; V332-I349 HydrophobicContact CG2-CG1 4.35Å; N333-I349 WeakPolarHBondContact CB-O 3.21Å; N333-I349 PolarHBondContact N-O 2.72Å; L336-I349 HydrophobicContact CD1-CB 4.4Å; L336-I349 HydrophobicContact CD1-CG2 3.94Å; L336-I349 WeakPolarHBondContact CD1-O 3.16Å; L338-I349 HydrophobicContact CD1-CG2 4.3Å; V343-I349 HydrophobicContact CG1-CD1 3.75Å; V343-I349 HydrophobicContact CG1-CG1 4.18Å; V343-I349 HydrophobicContact CG2-CD1 4.29Å; V343-I349 HydrophobicContact CG2-CG1 4.42Å; I349-E351 VanDerWaalsContact CG2-O 3.28Å; I349-E351 WeakPolarHBondContact CG2-O 3.41Å; I349-V353 HydrophobicContact CG2-CG2 4.36Å; I349-I359 HydrophobicContact CD1-CB 4.44Å; I349-I359 HydrophobicContact CD1-CD1 3.8Å; I349-I359 HydrophobicContact CD1-CG2 3.78Å
350N97.8Very high97.2Very high104 Ų10466.6 Ų66.656%0.55635%0.345SS*.  trans-109.5-7.2-177.7-51-57.2000112.7N333 S348N333-N350 PolarHBondContact ND2-OD1 3.02Å; S348-N350 PolarHBondContact OG-OD1 2.66Å
351E97.7Very high97.2Very high144 Ų14469.6 Ų69.667%0.67336%0.359SS*.SBendtrans-136150.2-176.7-65.5-178.1172.900110.5I349I349-E351 VanDerWaalsContact CG2-O 3.28Å; I349-E351 WeakPolarHBondContact CG2-O 3.41Å
352S98.3Very high97.2Very high53 Ų5373.2 Ų73.237%0.37138%0.378SS..  trans-64.8148.7176.4-70.50000111.6Y337 P354Y337-S352 PolarHBondContact N-OG 2.79Å; Y337-S352 CarbonylContact O-C 3.48Å; Y337-S352 VanDerWaalsContact O-CA 3.29Å; Y337-S352 WeakPolarHBondContact O-CA 2.9Å; Y337-S352 WeakPolarHBondContact O-CB 3.26Å; S352-P354 WeakPolarHBondContact O-CD 3.41Å
353V98.2Very high97.1Very high1 Ų174.7 Ų74.71%0.00639%0.385CS..BIsolated β-bridgetrans-123.179.7-177.6-173.80000107.4Y337 L338 N339 A341 I349 E355 R357 I359Y337-V353 PolarHBondContact O-N 3.42Å; L338-V353 HydrophobicContact CG-CB 4.23Å; L338-V353 HydrophobicContact CG-CG2 4.15Å; N339-V353 WeakPolarHBondContact CB-O 3.13Å; N339-V353 PolarHBondContact N-O 3.23Å; A341-V353 HydrophobicContact CB-CB 4.4Å; A341-V353 HydrophobicContact CB-CG1 3.9Å; I349-V353 HydrophobicContact CG2-CG2 4.36Å; V353-E355 WeakPolarHBondContact CG1-O 3.4Å; V353-E355 PolarHBondContact O-N 3.27Å; V353-R357 HydrophobicContact CG1-CG 3.66Å; V353-I359 HydrophobicContact CG1-CD1 4.32Å; V353-I359 HydrophobicContact CG2-CD1 3.53Å
354P97.3Very high97Very high71 Ų7179.1 Ų79.146%0.46141%0.408SS..  trans-73.8-17.8-174.430.1-35.8000113.1Y337 N339 S352Y337-P354 HydrophobicContact CD1-CB 4.35Å; Y337-P354 HydrophobicContact CE1-CB 4.23Å; N339-P354 VanDerWaalsContact CB-O 3.29Å; N339-P354 WeakPolarHBondContact CB-O 3.34Å; N339-P354 PolarHBondContact ND2-O 2.99Å; S352-P354 WeakPolarHBondContact O-CD 3.41Å
355E97.4Very high97Very high135 Ų13581.3 Ų81.363%0.63142%0.419SS*.SBendtrans-118.9143.1-178.8-66.5-59.815000111.3N339 V353 R357N339-E355 CarbonylContact O-C 3.58Å; V353-E355 WeakPolarHBondContact CG1-O 3.4Å; V353-E355 PolarHBondContact O-N 3.27Å; E355-R357 PolarHBondContact O-N 2.72Å
356P97Very high96.9Very high85 Ų8585.5 Ų85.555%0.55244%0.439SS*.  trans-56.7121.8177.3-25.834.9000112.2N339N339-P356 WeakPolarHBondContact O-CA 3.34Å
357R96.1Very high96.8Very high125 Ų12583.2 Ų83.247%0.47243%0.432SS..  trans-153161.1175.365.7-178.2-178.8-174.5-2.9112.2A341 N342 V353 E355 I359A341-R357 WeakPolarHBondContact CA-O 3.25Å; N342-R357 PolarHBondContact N-O 2.92Å; V353-R357 HydrophobicContact CG1-CG 3.66Å; E355-R357 PolarHBondContact O-N 2.72Å; R357-I359 HydrophobicContact CG-CG1 4.17Å
358I96.5Very high96.7Very high116 Ų11684.6 Ų84.660%0.59544%0.443SS*.EExtended strand (participates in β ladder)trans-88130.6168.9-59.7173000108N342 L344 M360N342-I358 HydrophobicContact CB-CG1 4.23Å; N342-I358 CarbonylContact O-C 3.56Å; N342-I358 WeakPolarHBondContact O-CA 3.29Å; L344-I358 HydrophobicContact CD1-CG2 3.4Å; L344-I358 VanDerWaalsContact CD1-CG2 3.4Å; I358-M360 HydrophobicContact CG2-CG 4.13Å
359I95Very high96.6Very high31 Ų3186.6 Ų86.616%0.15944%0.444CS..EExtended strand (participates in β ladder)trans-110.8110.7177.1-55.1-176.9000108A341 N342 V343 L344 I349 V353 R357A341-I359 HydrophobicContact CB-CD1 4.5Å; N342-I359 PolarHBondContact O-N 3.21Å; V343-I359 HydrophobicContact CG1-CB 4.37Å; V343-I359 HydrophobicContact CG2-CB 4.4Å; V343-I359 HydrophobicContact CG2-CD1 4.13Å; L344-I359 WeakPolarHBondContact CB-O 3.34Å; L344-I359 WeakPolarHBondContact CD1-O 3.46Å; L344-I359 PolarHBondContact N-O 2.86Å; I349-I359 HydrophobicContact CD1-CB 4.44Å; I349-I359 HydrophobicContact CD1-CD1 3.8Å; I349-I359 HydrophobicContact CD1-CG2 3.78Å; V353-I359 HydrophobicContact CG1-CD1 4.32Å; V353-I359 HydrophobicContact CG2-CD1 3.53Å; R357-I359 HydrophobicContact CG-CG1 4.17Å
360M89.8Confident96.5Very high166 Ų16693.7 Ų93.782%0.81848%0.481SS*.  trans-89.30-167.7-72.1-173.2-66.900115.7L344 K347 I358L344-M360 HydrophobicContact CD1-CG 4.28Å; L344-M360 HydrophobicContact CD2-CB 4.47Å; L344-M360 HydrophobicContact CD2-CG 4.34Å; K347-M360 WeakPolarHBondContact CD-O 3.31Å; K347-M360 VanDerWaalsContact CE-O 3.26Å; K347-M360 WeakPolarHBondContact CE-O 3.12Å; K347-M360 WeakPolarHBondContact CE-OXT 3.28Å; K347-M360 PolarHBondContact NZ-O 3.38Å; K347-M360 PolarHBondContact NZ-OXT 2.74Å; I358-M360 HydrophobicContact CG2-CG 4.13Å

Retrieved 360 of 360 residues in 798.8 ms (Link to these results)

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